A0A5K4F1F7_SCHMA Loading...

Putative asparagine-rich protein

AlphaFold DB , UniProt , Accession A0A5K4F1F7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 872 aa.

						>A0A5K4F1F7_SCHMA|A0A5K4F1F7
MITDQPTSIYCPHRTTLHIFDAYYSQVFDKNSQCSYSPEHIEGNLKYSDKSTTQFGLMTECYAKSVGQIVKQLCDGTNRCNLIHQLKQKNITNCPYPSFLQVNYTCLPVYSKQEVICADSYVELSCKAFSMDMGLIVLEAVLNHNLSIQLTSPSETNLQKCLRSNTNQAPCPSIDSISIISNKCNGYLTCTVSPNLVLESLHLINSRMSTFIKQMSCTKSYLYLRYTCVHNLLLENTLRLEDSKNSIKLREKQAFKPRKRLNKSSGNGRNNQKMNDMNVMLFNDNLSYYSGQIDVSTSQLNSVEPKPRSADIAINDEILSVLNELSVSPKTKSTHIYVSALLPAVLCIMVSCIFAMAILCHRKQLFKKKLKSNYISRILHNPTYCDQHSTYNVTIDDNNHETVCQSDMQTNHSYLSKSVKNCIPEWESGKNYTPYLQTLQQVDCSTGHPTLYCPSCNNEQKDISQLFHYQNISYGDNDIISNNNIVNQSIKASPNSSDQMPSTENSFPLTSPEMINKTENLSPSSIKCLSHGFVNNSMKHHNPCYSSQFNHTTGLIYGNFANFSNNNINDNSKQINQQTNTLRLNEQENDMKPQELHPLNDSLVSNTKLYYYQDDELIPNIHAKLHVVNIYEKEKTTSDLQQKPVNMSIRDLSVNSSEQINCKIKRRLAPPLFSSGDDLLPDYMMNTKSPVHLKYGIIPVVRYPYDSEDQLEDSDSDVSKYPQAKDSLNYSRNYENKPDICLTVNKDNSNQRYSIPTSSTFNMLDPNKRQLSRTASDHKVQNPISPSLIRSVTSQITNNSANSRIKISEPFTKNICTIQPINVLSNKHNLENHIESSSINIKNRSFIYDSNKLPTVNDNDDLSNSMSRSLQP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	24.4	Very low	52.9	Low	238 Å²	238	84.9 Å²	84.9	100%	1.172	44%	0.443	S	S	*	.				0	119.7	0	-161.9	172.7	-169.7	0	0	107.3
2	I	24.5	Very low	55	Low	120 Å²	120	81.1 Å²	81.1	62%	0.615	43%	0.427	S	S	*	.			trans	-93.8	112	-176.2	-58.1	175.2	0	0	0	108.9	D4	I2-D4 PolarHBondContact O-N 2.98Å
3	T	28.5	Very low	56.3	Low	75 Å²	75	87 Å²	87	46%	0.46	45%	0.451	S	S	.	.			trans	-88	76.7	170.4	55.2	0	0	0	0	110	Q5	T3-Q5 PolarHBondContact O-N 3.25Å
4	D	36.9	Very low	57.2	Low	99 Å²	99	95.2 Å²	95.2	53%	0.529	47%	0.473	S	S	.	.			trans	-66.4	79.2	161.3	-87.2	-57	0	0	0	108.4	I2 P6 K87	I2-D4 PolarHBondContact O-N 2.98Å; D4-P6 VanDerWaalsContact O-CD 3.22Å; D4-P6 WeakPolarHBondContact O-CD 3.3Å; D4-K87 IonicContact OD1-NZ 3.78Å
5	Q	44.5	Very low	58.5	Low	136 Å²	136	90.3 Å²	90.3	64%	0.636	45%	0.45	S	S	*	.			trans	-80.4	111.9	166.8	-74.8	-165.7	-2.7	0	0	108.4	T3 T7 I83	T3-Q5 PolarHBondContact O-N 3.25Å; Q5-T7 VanDerWaalsContact C-N 3.27Å; Q5-T7 PolarHBondContact O-N 3.23Å; Q5-I83 VanDerWaalsContact O-CD1 3.3Å; Q5-I83 WeakPolarHBondContact O-CD1 3.21Å
6	P	48.7	Very low	60	Low	87 Å²	87	86.4 Å²	86.4	57%	0.565	43%	0.433	S	S	*	.			trans	-74.6	82.1	177.7	31.8	-35.5	0	0	0	109.8	D4 S8	D4-P6 VanDerWaalsContact O-CD 3.22Å; D4-P6 WeakPolarHBondContact O-CD 3.3Å; P6-S8 PolarHBondContact O-N 3.07Å
7	T	56.8	Low	61.4	Low	50 Å²	50	81.4 Å²	81.4	31%	0.307	41%	0.407	S	S	.	.			trans	-71.2	65.9	176.8	41.1	0	0	0	0	111.3	Q5 I9 I847	Q5-T7 VanDerWaalsContact C-N 3.27Å; Q5-T7 PolarHBondContact O-N 3.23Å; T7-I9 PolarHBondContact O-N 2.87Å; T7-I847 WeakPolarHBondContact O-CD1 3.37Å; T7-I847 WeakPolarHBondContact OG1-CG1 3.45Å
8	S	70.1	Confident	62.5	Low	25 Å²	25	79.3 Å²	79.3	18%	0.175	40%	0.396	C	S	.	.			trans	-64.6	125.4	171.1	63.7	0	0	0	0	109.8	P6 R79 C80	P6-S8 PolarHBondContact O-N 3.07Å; S8-R79 PolarHBondContact OG-NE 3.17Å; S8-R79 PolarHBondContact OG-NH2 2.82Å; S8-C80 CarbonylContact C-O 3.55Å; S8-C80 WeakPolarHBondContact CA-O 3.37Å; S8-C80 WeakPolarHBondContact CB-O 3.13Å
9	I	81.5	Confident	63.4	Low	5 Å²	5	75.1 Å²	75.1	3%	0.026	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	134.4	171.6	-45	-172.6	0	0	0	108	T7 L17 R79 C80 L82 V102 Y104	T7-I9 PolarHBondContact O-N 2.87Å; I9-L17 HydrophobicContact CB-CD1 4.2Å; I9-L17 HydrophobicContact CB-CD2 4.24Å; I9-L17 HydrophobicContact CG2-CD1 4.32Å; I9-L17 HydrophobicContact CG2-CD2 3.48Å; I9-L17 VanDerWaalsContact CG2-CD2 3.48Å; I9-R79 CarbonylContact O-C 3.54Å; I9-R79 VanDerWaalsContact O-CA 3.28Å; I9-R79 WeakPolarHBondContact O-CA 3.3Å; I9-C80 PolarHBondContact N-O 2.88Å; I9-C80 PolarHBondContact O-N 3.12Å; I9-L82 HydrophobicContact CD1-CD1 3.6Å; I9-L82 HydrophobicContact CG1-CD1 4.18Å; I9-V102 HydrophobicContact CD1-CB 3.83Å; I9-V102 HydrophobicContact CD1-CG1 3.71Å; I9-V102 HydrophobicContact CD1-CG2 4.02Å; I9-Y104 HydrophobicContact CD1-CD1 4.3Å; I9-Y104 HydrophobicContact CD1-CE1 4.42Å; I9-Y104 HydrophobicContact CG2-CD1 3.77Å; I9-Y104 HydrophobicContact CG2-CD2 4Å; I9-Y104 HydrophobicContact CG2-CE1 3.31Å; I9-Y104 HydrophobicContact CG2-CE2 3.56Å; I9-Y104 HydrophobicContact CG2-CG 4.09Å; I9-Y104 WeakPolarHBondContact CG2-OH 3.2Å
10	Y	83.2	Confident	64	Low	99 Å²	99	76.2 Å²	76.2	39%	0.388	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	137.2	-176.9	175.4	-109.2	0	0	0	110.7	N78 R79	Y10-N78 VanDerWaalsContact CE2-OD1 3.29Å; Y10-N78 WeakPolarHBondContact CE2-OD1 3.35Å; Y10-R79 HydrophobicContact CD2-CB 4.11Å; Y10-R79 HydrophobicContact CD2-CG 4.22Å
11	C	82.6	Confident	64.7	Low	0 Å²	0	74.4 Å²	74.4	0%	0	37%	0.37	C	S	.	.			trans	-108.9	144.5	168.5	-79.3	0	0	0	0	110.3	T15 L17 N78 C106	C11-T15 WeakPolarHBondContact CB-OG1 3.12Å; C11-L17 HydrophobicContact CB-CG 4.49Å; C11-L17 WeakPolarHBondContact SG-CD2 3.33Å; C11-N78 PolarHBondContact N-O 3.04Å; C11-N78 PolarHBondContact O-ND2 3.33Å; C11-C106 WeakPolarHBondContact CA-SG 3.37Å; C11-C106 HydrophobicContact CB-CB 3.74Å; C11-C106 WeakPolarHBondContact CB-SG 3.45Å; C11-C106 WeakPolarHBondContact SG-CA 3.4Å; C11-C106 WeakPolarHBondContact SG-CB 3.3Å; C11-C106 CovalentContact SG-SG 2.04Å; C11-C106 PolarHBondContact SG-SG 2.98Å
12	P	78	Confident	67.2	Low	39 Å²	39	63.1 Å²	63.1	25%	0.253	31%	0.314	S	S	.	.			trans	-61.1	159.6	179.1	24.2	-32.2	0	0	0	112.4	R14 T15 N78 I839	P12-R14 PolarHBondContact O-N 3.45Å; P12-T15 WeakPolarHBondContact CD-OG1 3.28Å; P12-T15 PolarHBondContact O-N 2.89Å; P12-T15 PolarHBondContact O-OG1 3.49Å; P12-N78 PolarHBondContact O-ND2 2.73Å; P12-I839 HydrophobicContact CB-CD1 4.19Å; P12-I839 HydrophobicContact CG-CD1 3.5Å; P12-I839 HydrophobicContact CG-CG1 4.02Å; P12-I839 HydrophobicContact CG-CG2 4.41Å
13	H	72.4	Confident	69.4	Low	158 Å²	158	61.5 Å²	61.5	73%	0.731	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	141.3	-176.4	-66.5	-48.5	0	0	0	113.1	T15	H13-T15 PolarHBondContact O-N 3.3Å
14	R	68.3	Low	71.4	Confident	202 Å²	202	58.8 Å²	58.8	76%	0.762	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	12	-173.4	-52.8	-179.4	176.5	178.7	-1.7	115.4	P12 V109	P12-R14 PolarHBondContact O-N 3.45Å; R14-V109 WeakPolarHBondContact O-CG2 3.4Å; R14-V109 PolarHBondContact O-N 2.88Å
15	T	77.8	Confident	72.6	Confident	21 Å²	21	55 Å²	55	13%	0.129	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	150.7	166.4	64.4	0	0	0	0	112.5	C11 P12 H13 N78 L107	C11-T15 WeakPolarHBondContact CB-OG1 3.12Å; P12-T15 WeakPolarHBondContact CD-OG1 3.28Å; P12-T15 PolarHBondContact O-N 2.89Å; P12-T15 PolarHBondContact O-OG1 3.49Å; H13-T15 PolarHBondContact O-N 3.3Å; T15-N78 PolarHBondContact O-ND2 2.62Å; T15-L107 CarbonylContact C-O 3.38Å; T15-L107 WeakPolarHBondContact CA-O 3.49Å; T15-L107 WeakPolarHBondContact CB-O 3.36Å
16	T	81.9	Confident	73.5	Confident	28 Å²	28	49.3 Å²	49.3	17%	0.172	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	152.4	178.3	54.4	0	0	0	0	110.7	G76 C106 L107 V109	T16-G76 WeakPolarHBondContact CG2-O 3.41Å; T16-C106 WeakPolarHBondContact O-CA 3.32Å; T16-L107 PolarHBondContact N-O 3.34Å; T16-L107 PolarHBondContact O-N 3.05Å; T16-V109 HydrophobicContact CG2-CB 4.48Å; T16-V109 HydrophobicContact CG2-CG2 3.71Å
17	L	83.7	Confident	73.8	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	132.9	171	-72.6	164.5	0	0	0	109.9	I9 C11 C74 G76 T77 C80 Y104	I9-L17 HydrophobicContact CB-CD1 4.2Å; I9-L17 HydrophobicContact CB-CD2 4.24Å; I9-L17 HydrophobicContact CG2-CD1 4.32Å; I9-L17 HydrophobicContact CG2-CD2 3.48Å; I9-L17 VanDerWaalsContact CG2-CD2 3.48Å; C11-L17 HydrophobicContact CB-CG 4.49Å; C11-L17 WeakPolarHBondContact SG-CD2 3.33Å; L17-C74 WeakPolarHBondContact CB-O 3.49Å; L17-C74 HydrophobicContact CD1-CB 4.44Å; L17-G76 PolarHBondContact O-N 3.38Å; L17-T77 WeakPolarHBondContact CB-O 3.34Å; L17-T77 PolarHBondContact N-O 2.89Å; L17-C80 HydrophobicContact CD1-CB 3.66Å; L17-Y104 HydrophobicContact CD2-CD2 3.42Å; L17-Y104 VanDerWaalsContact CD2-CD2 3.42Å; L17-Y104 HydrophobicContact CD2-CE2 3.74Å; L17-Y104 HydrophobicContact CD2-CG 4.06Å
18	H	80.6	Confident	73.5	Confident	44 Å²	44	51.3 Å²	51.3	20%	0.204	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	104	166.6	-176.5	-67.1	0	0	0	107.6	Y104 T105 L107	H18-Y104 WeakPolarHBondContact O-CA 3.22Å; H18-T105 HydrophobicContact CB-CG2 3.97Å; H18-T105 PolarHBondContact N-O 2.04Å; H18-T105 PolarHBondContact O-N 2.95Å; H18-L107 HydrophobicContact CB-CD1 3.74Å; H18-L107 HydrophobicContact CB-CG 4.07Å
19	I	80.5	Confident	72.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.2	-178.4	-51.3	-55.8	0	0	0	108.4	V70 K71 C74 D75 V102	I19-V70 HydrophobicContact CD1-CG1 4.33Å; I19-V70 HydrophobicContact CG1-CG1 4.13Å; I19-V70 HydrophobicContact CG2-CG1 3.94Å; I19-K71 HydrophobicContact CB-CG 3.85Å; I19-K71 HydrophobicContact CG2-CG 4.11Å; I19-K71 WeakPolarHBondContact O-CE 3.29Å; I19-C74 HydrophobicContact CD1-CB 3.93Å; I19-C74 HydrophobicContact CG1-CB 3.87Å; I19-D75 WeakPolarHBondContact CB-OD1 3.48Å; I19-D75 WeakPolarHBondContact CG1-OD1 3.32Å; I19-D75 PolarHBondContact N-OD1 2.87Å; I19-V102 HydrophobicContact CD1-CG1 3.9Å; I19-V102 HydrophobicContact CG2-CG1 4.07Å
20	F	75.7	Confident	70.6	Confident	97 Å²	97	62.4 Å²	62.4	43%	0.425	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-52.2	170.8	-61.1	-65.6	0	0	0	110.1	K71 N103 T105	F20-K71 WeakPolarHBondContact O-CE 3.49Å; F20-K71 PolarHBondContact O-NZ 3.08Å; F20-N103 HydrophobicContact CB-CB 4.44Å; F20-N103 PolarHBondContact N-O 2.95Å; F20-T105 HydrophobicContact CE1-CG2 4.02Å; F20-T105 HydrophobicContact CE2-CG2 3.71Å; F20-T105 HydrophobicContact CZ-CG2 3.31Å
21	D	77.6	Confident	68.6	Low	39 Å²	39	64.4 Å²	64.4	21%	0.209	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	163.2	-179.2	-153.2	-14.6	0	0	0	110.8	Y23 S65 N103	D21-Y23 HydrophobicContact CB-CE2 3.95Å; D21-Y23 WeakPolarHBondContact OD2-CE2 3.3Å; D21-Y23 PolarHBondContact OD2-OH 2.94Å; D21-S65 PolarHBondContact OD1-OG 3.33Å; D21-N103 PolarHBondContact N-O 2.66Å; D21-N103 PolarHBondContact O-N 2.86Å
22	A	76.7	Confident	66.9	Low	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	136.1	174.2	0	0	0	0	0	111.6	V66 G67 V70 Q101 V102	A22-V66 HydrophobicContact CB-CG2 3.98Å; A22-V66 CarbonylContact O-C 3.42Å; A22-V66 WeakPolarHBondContact O-CG2 3.39Å; A22-V66 PolarHBondContact O-N 3.41Å; A22-G67 PolarHBondContact O-N 3.4Å; A22-V70 HydrophobicContact CB-CB 3.72Å; A22-V70 HydrophobicContact CB-CG1 3.89Å; A22-V70 HydrophobicContact CB-CG2 3.61Å; A22-Q101 WeakPolarHBondContact CA-O 3.22Å; A22-V102 HydrophobicContact CB-CB 4.47Å; A22-V102 HydrophobicContact CB-CG1 4.32Å; A22-V102 HydrophobicContact CB-CG2 4.11Å
23	Y	72	Confident	65.3	Low	86 Å²	86	74.2 Å²	74.2	34%	0.337	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.1	-176.5	-67.3	-90.7	0	0	0	110	D21 A63 L100 Q101	D21-Y23 HydrophobicContact CB-CE2 3.95Å; D21-Y23 WeakPolarHBondContact OD2-CE2 3.3Å; D21-Y23 PolarHBondContact OD2-OH 2.94Å; Y23-A63 HydrophobicContact CD1-CB 4.37Å; Y23-L100 WeakPolarHBondContact O-CA 3.35Å; Y23-Q101 PolarHBondContact N-O 3.37Å; Y23-Q101 PolarHBondContact O-N 2.87Å
24	Y	69.3	Low	64	Low	19 Å²	19	68.4 Å²	68.4	8%	0.075	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.3	170.2	-163.5	-87.3	0	0	0	108.9	A63 K64 T92 S98 L100	Y24-A63 WeakPolarHBondContact O-CA 3.28Å; Y24-K64 PolarHBondContact N-O 3.35Å; Y24-K64 VanDerWaalsContact N-O 3.09Å; Y24-K64 PolarHBondContact O-N 3.45Å; Y24-K64 VanDerWaalsContact O-N 3.15Å; Y24-T92 HydrophobicContact CD1-CG2 4.43Å; Y24-T92 HydrophobicContact CD2-CG2 4.11Å; Y24-T92 HydrophobicContact CE1-CG2 3.84Å; Y24-T92 HydrophobicContact CE2-CG2 3.48Å; Y24-T92 VanDerWaalsContact CE2-CG2 3.48Å; Y24-S98 VanDerWaalsContact CE1-CB 3.41Å; Y24-S98 VanDerWaalsContact CE1-OG 3.28Å; Y24-S98 WeakPolarHBondContact CE1-OG 3.36Å; Y24-S98 WeakPolarHBondContact OH-CB 3.34Å; Y24-S98 PolarHBondContact OH-OG 2.78Å; Y24-L100 HydrophobicContact CD2-CB 3.98Å; Y24-L100 HydrophobicContact CD2-CD1 4.12Å; Y24-L100 HydrophobicContact CE2-CB 4.34Å
25	S	63.2	Low	62.7	Low	18 Å²	18	60.3 Å²	60.3	13%	0.126	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	149.1	-168.7	39	0	0	0	0	112.9	S98 F99	S25-S98 CarbonylContact O-C 3.5Å; S25-S98 WeakPolarHBondContact O-CA 3.02Å; S25-S98 WeakPolarHBondContact O-CB 3.44Å; S25-F99 PolarHBondContact N-O 2.89Å; S25-F99 WeakPolarHBondContact O-CD1 3.31Å; S25-F99 PolarHBondContact O-N 2.91Å; S25-F99 WeakPolarHBondContact OG-CE1 3.32Å; S25-F99 WeakPolarHBondContact OG-CE2 3.43Å; S25-F99 WeakPolarHBondContact OG-CZ 3.38Å
26	Q	62.8	Low	60.9	Low	18 Å²	18	67 Å²	67	8%	0.084	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	146.3	177.1	-179.9	169.2	-17.6	0	0	112	F28 C61	Q26-F28 HydrophobicContact CB-CD2 4.42Å; Q26-F28 HydrophobicContact CB-CE2 3.84Å; Q26-F28 HydrophobicContact CB-CZ 3.93Å; Q26-F28 HydrophobicContact CG-CE1 4.25Å; Q26-F28 HydrophobicContact CG-CE2 4.3Å; Q26-F28 HydrophobicContact CG-CZ 4.1Å; Q26-F28 WeakPolarHBondContact O-CD2 3.13Å; Q26-C61 HydrophobicContact CB-CB 4.47Å
27	V	56.3	Low	58.7	Low	24 Å²	24	67.8 Å²	67.8	15%	0.145	33%	0.33	C	S	.	.			trans	-80.2	116.4	171.5	-177.9	0	0	0	0	109.2	S32 C34 S35 P97 F99	V27-S32 WeakPolarHBondContact CG1-OG 3.43Å; V27-C34 HydrophobicContact CG2-CB 4.22Å; V27-S35 WeakPolarHBondContact CG1-OG 3.38Å; V27-P97 PolarHBondContact N-O 3.37Å; V27-F99 HydrophobicContact CG2-CD1 3.68Å; V27-F99 HydrophobicContact CG2-CE1 4.36Å
28	F	48.5	Very low	56.5	Low	155 Å²	155	71.5 Å²	71.5	68%	0.68	35%	0.354	S	S	*	.			trans	-106.5	-21.4	-179.3	-70.4	-75.4	0	0	0	114.7	Q26	Q26-F28 HydrophobicContact CB-CD2 4.42Å; Q26-F28 HydrophobicContact CB-CE2 3.84Å; Q26-F28 HydrophobicContact CB-CZ 3.93Å; Q26-F28 HydrophobicContact CG-CE1 4.25Å; Q26-F28 HydrophobicContact CG-CE2 4.3Å; Q26-F28 HydrophobicContact CG-CZ 4.1Å; Q26-F28 WeakPolarHBondContact O-CD2 3.13Å
29	D	47.8	Very low	54.4	Low	87 Å²	87	75.5 Å²	75.5	47%	0.465	37%	0.373	S	S	.	.			trans	-104	124.9	-174.6	-179.1	7	0	0	0	111.2	N31 S32 S35	D29-N31 PolarHBondContact O-N 3.23Å; D29-N31 VanDerWaalsContact O-N 3.16Å; D29-N31 WeakPolarHBondContact OD1-CB 3.4Å; D29-N31 PolarHBondContact OD1-N 2.99Å; D29-N31 PolarHBondContact OD1-ND2 3.29Å; D29-S32 WeakPolarHBondContact O-CB 3.23Å; D29-S32 PolarHBondContact O-N 3.44Å; D29-S32 VanDerWaalsContact O-N 3.12Å; D29-S35 PolarHBondContact O-OG 3Å
30	K	43.5	Very low	52.3	Low	176 Å²	176	84.8 Å²	84.8	77%	0.765	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.5	174.1	-70.4	-166.8	173.5	-163.8	0	112.8	S32 S35	K30-S32 VanDerWaalsContact C-N 3.34Å; K30-S35 WeakPolarHBondContact O-CB 3.46Å
31	N	40.8	Very low	50.6	Low	141 Å²	141	84 Å²	84	75%	0.754	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	1	-179.1	-50.6	-69.1	0	0	0	113.9	D29	D29-N31 PolarHBondContact O-N 3.23Å; D29-N31 VanDerWaalsContact O-N 3.16Å; D29-N31 WeakPolarHBondContact OD1-CB 3.4Å; D29-N31 PolarHBondContact OD1-N 2.99Å; D29-N31 PolarHBondContact OD1-ND2 3.29Å
32	S	47.2	Very low	48.5	Very low	39 Å²	39	90 Å²	90	27%	0.273	44%	0.442	S	S	.	.	S	Bend	trans	-69.4	143	177.7	104.4	0	0	0	0	111.2	V27 D29 K30 C34 S35	V27-S32 WeakPolarHBondContact CG1-OG 3.43Å; D29-S32 WeakPolarHBondContact O-CB 3.23Å; D29-S32 PolarHBondContact O-N 3.44Å; D29-S32 VanDerWaalsContact O-N 3.12Å; K30-S32 VanDerWaalsContact C-N 3.34Å; S32-C34 PolarHBondContact O-N 2.86Å; S32-C34 PolarHBondContact OG-N 3.09Å; S32-S35 WeakPolarHBondContact CB-OG 3.43Å; S32-S35 VanDerWaalsContact O-CB 3.23Å; S32-S35 WeakPolarHBondContact O-CB 3.42Å; S32-S35 PolarHBondContact O-N 2.85Å; S32-S35 PolarHBondContact O-OG 3.38Å; S32-S35 PolarHBondContact OG-N 3.5Å; S32-S35 PolarHBondContact OG-OG 3.17Å
33	Q	44.8	Very low	46.4	Very low	206 Å²	206	93.2 Å²	93.2	96%	0.963	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-7.2	174.5	-69.7	-179.6	-29	0	0	113.9
34	C	44.8	Very low	44.5	Very low	35 Å²	35	96.8 Å²	96.8	24%	0.236	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	2.2	173.2	-64.5	0	0	0	0	112.5	V27 S32 Y36	V27-C34 HydrophobicContact CG2-CB 4.22Å; S32-C34 PolarHBondContact O-N 2.86Å; S32-C34 PolarHBondContact OG-N 3.09Å; C34-Y36 PolarHBondContact O-N 2.95Å; C34-Y36 VanDerWaalsContact O-N 3.14Å
35	S	40.4	Very low	43	Very low	33 Å²	33	101.5 Å²	101.5	23%	0.231	53%	0.526	C	S	.	.			trans	-84.1	85.2	178.7	-58.6	0	0	0	0	109.8	V27 D29 K30 S32 S37	V27-S35 WeakPolarHBondContact CG1-OG 3.38Å; D29-S35 PolarHBondContact O-OG 3Å; K30-S35 WeakPolarHBondContact O-CB 3.46Å; S32-S35 WeakPolarHBondContact CB-OG 3.43Å; S32-S35 VanDerWaalsContact O-CB 3.23Å; S32-S35 WeakPolarHBondContact O-CB 3.42Å; S32-S35 PolarHBondContact O-N 2.85Å; S32-S35 PolarHBondContact O-OG 3.38Å; S32-S35 PolarHBondContact OG-N 3.5Å; S32-S35 PolarHBondContact OG-OG 3.17Å; S35-S37 VanDerWaalsContact C-N 3.31Å; S35-S37 PolarHBondContact O-N 3.13Å
36	Y	41	Very low	41.5	Very low	161 Å²	161	110 Å²	110	63%	0.631	56%	0.56	S	S	*	*			trans	-58.2	101.9	151.8	-83.8	-78.3	0	0	0	107.5	C34 Y848	C34-Y36 PolarHBondContact O-N 2.95Å; C34-Y36 VanDerWaalsContact O-N 3.14Å; Y36-Y848 HydrophobicContact CD2-CE1 4.31Å; Y36-Y848 HydrophobicContact CD2-CE2 4.37Å
37	S	34.8	Very low	40.1	Very low	45 Å²	45	118.8 Å²	118.8	32%	0.315	59%	0.594	S	S	.	*			trans	-61.4	136	176.1	-165	0	0	0	0	109	S35 E39	S35-S37 VanDerWaalsContact C-N 3.31Å; S35-S37 PolarHBondContact O-N 3.13Å; S37-E39 VanDerWaalsContact CB-OE1 3.3Å; S37-E39 WeakPolarHBondContact CB-OE1 3.35Å; S37-E39 PolarHBondContact O-N 3.25Å; S37-E39 VanDerWaalsContact OG-CD 3.24Å; S37-E39 PolarHBondContact OG-OE1 3.03Å
38	P	38.9	Very low	39.1	Very low	79 Å²	79	122 Å²	122	51%	0.513	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-71.8	22.1	178.7	30.9	-36.1	0	0	0	113.8	H40 I41	P38-H40 PolarHBondContact O-N 3.33Å; P38-I41 HydrophobicContact CB-CB 4.3Å; P38-I41 HydrophobicContact CB-CD1 4Å; P38-I41 HydrophobicContact CB-CG1 4.24Å; P38-I41 WeakPolarHBondContact O-CA 2.98Å; P38-I41 VanDerWaalsContact O-CB 3.31Å; P38-I41 WeakPolarHBondContact O-CB 3.28Å; P38-I41 PolarHBondContact O-N 3.04Å
39	E	36	Very low	38.4	Very low	128 Å²	128	122.7 Å²	122.7	60%	0.598	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-63.6	-12.9	173.3	-76.2	152.2	-135	0	0	113.1	S37	S37-E39 VanDerWaalsContact CB-OE1 3.3Å; S37-E39 WeakPolarHBondContact CB-OE1 3.35Å; S37-E39 PolarHBondContact O-N 3.25Å; S37-E39 VanDerWaalsContact OG-CD 3.24Å; S37-E39 PolarHBondContact OG-OE1 3.03Å
40	H	36.5	Very low	37.8	Very low	194 Å²	194	126.6 Å²	126.6	90%	0.898	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-92.8	11.7	165	-76.5	-29.9	0	0	0	114.5	P38	P38-H40 PolarHBondContact O-N 3.33Å
41	I	39.5	Very low	37.1	Very low	82 Å²	82	121.9 Å²	121.9	42%	0.421	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.3	-10.3	177.7	-50.9	-176.4	0	0	0	111.6	P38 G43 N44 L45	P38-I41 HydrophobicContact CB-CB 4.3Å; P38-I41 HydrophobicContact CB-CD1 4Å; P38-I41 HydrophobicContact CB-CG1 4.24Å; P38-I41 WeakPolarHBondContact O-CA 2.98Å; P38-I41 VanDerWaalsContact O-CB 3.31Å; P38-I41 WeakPolarHBondContact O-CB 3.28Å; P38-I41 PolarHBondContact O-N 3.04Å; I41-G43 PolarHBondContact O-N 3.5Å; I41-N44 PolarHBondContact O-N 2.86Å; I41-L45 HydrophobicContact CG2-CB 4.36Å; I41-L45 HydrophobicContact CG2-CD1 3.66Å
42	E	34.6	Very low	37.1	Very low	164 Å²	164	120.7 Å²	120.7	77%	0.766	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-13.3	179.8	-66.8	-167.3	138.5	0	0	115
43	G	31.9	Very low	36.6	Very low	68 Å²	68	124.5 Å²	124.5	70%	0.701	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-31.2	-179	0	0	0	0	0	116.2	I41	I41-G43 PolarHBondContact O-N 3.5Å
44	N	32.6	Very low	36	Very low	160 Å²	160	119.8 Å²	119.8	86%	0.856	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.1	-8.6	-165.5	-95.5	-41.6	0	0	0	117.8	I41 K46	I41-N44 PolarHBondContact O-N 2.86Å; N44-K46 PolarHBondContact O-N 3.31Å
45	L	37.3	Very low	35.6	Very low	118 Å²	118	124.7 Å²	124.7	62%	0.618	65%	0.646	S	S	*	*			trans	-86.9	98.5	162.1	-90.8	90.8	0	0	0	109.8	I41 Y47	I41-L45 HydrophobicContact CG2-CB 4.36Å; I41-L45 HydrophobicContact CG2-CD1 3.66Å; L45-Y47 VanDerWaalsContact C-N 3.27Å; L45-Y47 PolarHBondContact O-N 2.92Å
46	K	31.4	Very low	35.2	Very low	196 Å²	196	126.9 Å²	126.9	85%	0.852	67%	0.674	S	S	*	*			trans	-59.9	96	155.3	-79.9	-176.1	176.3	176.8	0	108.3	N44 S48	N44-K46 PolarHBondContact O-N 3.31Å; K46-S48 PolarHBondContact O-N 3.33Å
47	Y	34.4	Very low	34.8	Very low	203 Å²	203	124.5 Å²	124.5	80%	0.796	67%	0.672	S	S	*	*			trans	-60.5	89.5	156.3	-89.3	-98.7	0	0	0	107.4	L45	L45-Y47 VanDerWaalsContact C-N 3.27Å; L45-Y47 PolarHBondContact O-N 2.92Å
48	S	33.5	Very low	34.8	Very low	92 Å²	92	126.6 Å²	126.6	64%	0.643	68%	0.677	S	S	*	*			trans	-58.3	140.7	165.5	-61.8	0	0	0	0	108.9	K46 K50	K46-S48 PolarHBondContact O-N 3.33Å; S48-K50 PolarHBondContact O-N 3.09Å
49	D	34	Very low	34.8	Very low	170 Å²	170	128 Å²	128	91%	0.909	69%	0.685	S	S	*	*			trans	-64	67.3	178.8	-59.9	-80.4	0	0	0	113.2	S51	D49-S51 PolarHBondContact O-N 3.09Å
50	K	35.6	Very low	35.2	Very low	169 Å²	169	127.4 Å²	127.4	74%	0.735	68%	0.682	S	S	*	*			trans	-75.5	118.4	164.9	-77.5	-169.9	172.2	-176.1	0	107.8	S48	S48-K50 PolarHBondContact O-N 3.09Å
51	S	29.2	Very low	35.7	Very low	77 Å²	77	119.6 Å²	119.6	54%	0.538	65%	0.649	S	S	.	*			trans	-50.8	142.6	-171.4	54.8	0	0	0	0	113	D49 T53 Q54	D49-S51 PolarHBondContact O-N 3.09Å; S51-T53 PolarHBondContact O-N 3.25Å; S51-T53 PolarHBondContact OG-OG1 3.43Å; S51-Q54 PolarHBondContact O-N 2.8Å; S51-Q54 VanDerWaalsContact O-N 3.14Å
52	T	40.7	Very low	36.2	Very low	116 Å²	116	123.5 Å²	123.5	71%	0.712	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-57.5	0.7	180	-20.8	0	0	0	0	114.6	F55	T52-F55 HydrophobicContact CG2-CD2 3.85Å; T52-F55 HydrophobicContact CG2-CE2 3.68Å; T52-F55 WeakPolarHBondContact O-CD2 3.4Å
53	T	36.2	Very low	37.1	Very low	118 Å²	118	118.5 Å²	118.5	72%	0.724	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-81.3	-13.5	174.1	52.1	0	0	0	0	114.2	S51 F55	S51-T53 PolarHBondContact O-N 3.25Å; S51-T53 PolarHBondContact OG-OG1 3.43Å; T53-F55 VanDerWaalsContact C-N 3.33Å
54	Q	33.8	Very low	38.6	Very low	108 Å²	108	121.5 Å²	121.5	51%	0.505	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	-85.9	10.1	173.4	-80.1	-159.3	-37.2	0	0	115	S51 G56 L57	S51-Q54 PolarHBondContact O-N 2.8Å; S51-Q54 VanDerWaalsContact O-N 3.14Å; Q54-G56 PolarHBondContact O-N 2.97Å; Q54-L57 HydrophobicContact CG-CD1 4.45Å; Q54-L57 PolarHBondContact O-N 2.89Å
55	F	35.7	Very low	40.2	Very low	137 Å²	137	116.7 Å²	116.7	60%	0.601	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-58.9	-26.6	173.1	-95.8	-92.5	0	0	0	113.5	T52 T53 L57 M58	T52-F55 HydrophobicContact CG2-CD2 3.85Å; T52-F55 HydrophobicContact CG2-CE2 3.68Å; T52-F55 WeakPolarHBondContact O-CD2 3.4Å; T53-F55 VanDerWaalsContact C-N 3.33Å; F55-L57 PolarHBondContact O-N 3.18Å; F55-L57 VanDerWaalsContact O-N 3.09Å; F55-M58 PolarHBondContact O-N 3.21Å
56	G	31	Very low	41.8	Very low	80 Å²	80	111.2 Å²	111.2	83%	0.825	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-67.8	2.3	171.2	0	0	0	0	0	115.6	Q54	Q54-G56 PolarHBondContact O-N 2.97Å
57	L	33.2	Very low	43.9	Very low	111 Å²	111	102 Å²	102	58%	0.581	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-111.6	12.1	172.6	-83.6	164.6	0	0	0	113.5	Q54 F55 T59	Q54-L57 HydrophobicContact CG-CD1 4.45Å; Q54-L57 PolarHBondContact O-N 2.89Å; F55-L57 PolarHBondContact O-N 3.18Å; F55-L57 VanDerWaalsContact O-N 3.09Å; L57-T59 PolarHBondContact O-N 2.54Å
58	M	35.6	Very low	45.8	Very low	88 Å²	88	97.2 Å²	97.2	43%	0.433	54%	0.536	S	S	.	.			trans	-69.9	78.3	152.8	-76	-155.5	175	0	0	108.6	F55 E60	F55-M58 PolarHBondContact O-N 3.21Å; M58-E60 PolarHBondContact O-N 3.06Å
59	T	38	Very low	47.8	Very low	108 Å²	108	95.1 Å²	95.1	66%	0.663	52%	0.517	S	S	*	.			trans	-61.5	107	174.6	33.7	0	0	0	0	109	L57 C61	L57-T59 PolarHBondContact O-N 2.54Å; T59-C61 PolarHBondContact O-N 3.4Å
60	E	43.8	Very low	49.9	Very low	116 Å²	116	87 Å²	87	54%	0.542	47%	0.473	S	S	.	.			trans	-58.8	120.9	-164.6	-64.1	159.8	103.9	0	0	111	M58 Y62	M58-E60 PolarHBondContact O-N 3.06Å; E60-Y62 HydrophobicContact CB-CD2 3.51Å; E60-Y62 HydrophobicContact CB-CE2 3.5Å; E60-Y62 VanDerWaalsContact CB-CE2 3.5Å; E60-Y62 HydrophobicContact CB-CG 4.19Å; E60-Y62 VanDerWaalsContact CD-CE2 3.44Å; E60-Y62 HydrophobicContact CG-CE2 4.09Å; E60-Y62 PolarHBondContact O-N 2.83Å; E60-Y62 PolarHBondContact OE1-OH 3.5Å; E60-Y62 VanDerWaalsContact OE1-OH 3.1Å; E60-Y62 WeakPolarHBondContact OE2-CE2 3.38Å; E60-Y62 PolarHBondContact OE2-OH 3.25Å
61	C	48.5	Very low	52.1	Low	30 Å²	30	82.4 Å²	82.4	20%	0.203	45%	0.453	C	S	.	.			trans	-72.6	69.5	155.7	-105.8	0	0	0	0	108.9	Q26 T59 C94	Q26-C61 HydrophobicContact CB-CB 4.47Å; T59-C61 PolarHBondContact O-N 3.4Å; C61-C94 HydrophobicContact CB-CB 4.02Å; C61-C94 WeakPolarHBondContact CB-SG 3.35Å; C61-C94 WeakPolarHBondContact SG-CA 3.14Å; C61-C94 WeakPolarHBondContact SG-CB 3.08Å; C61-C94 CovalentContact SG-SG 2.04Å; C61-C94 PolarHBondContact SG-SG 3Å
62	Y	48.3	Very low	54.5	Low	165 Å²	165	85.6 Å²	85.6	65%	0.647	46%	0.46	S	S	*	.			trans	-43.4	141.1	169	-84.9	-80.7	0	0	0	109.9	E60 K64	E60-Y62 HydrophobicContact CB-CD2 3.51Å; E60-Y62 HydrophobicContact CB-CE2 3.5Å; E60-Y62 VanDerWaalsContact CB-CE2 3.5Å; E60-Y62 HydrophobicContact CB-CG 4.19Å; E60-Y62 VanDerWaalsContact CD-CE2 3.44Å; E60-Y62 HydrophobicContact CG-CE2 4.09Å; E60-Y62 PolarHBondContact O-N 2.83Å; E60-Y62 PolarHBondContact OE1-OH 3.5Å; E60-Y62 VanDerWaalsContact OE1-OH 3.1Å; E60-Y62 WeakPolarHBondContact OE2-CE2 3.38Å; E60-Y62 PolarHBondContact OE2-OH 3.25Å; Y62-K64 VanDerWaalsContact C-N 3.28Å; Y62-K64 PolarHBondContact O-N 2.99Å
63	A	55.2	Low	56.3	Low	59 Å²	59	81.7 Å²	81.7	49%	0.488	43%	0.434	S	S	.	.			trans	-60.9	86.6	-177.8	0	0	0	0	0	111.3	Y23 Y24 S65	Y23-A63 HydrophobicContact CD1-CB 4.37Å; Y24-A63 WeakPolarHBondContact O-CA 3.28Å; A63-S65 PolarHBondContact O-N 3.46Å
64	K	61.7	Low	58.6	Low	131 Å²	131	76 Å²	76	57%	0.57	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	116.3	-176	-170.1	172.2	-177.3	176.7	0	107.2	Y24 Y62 V66	Y24-K64 PolarHBondContact N-O 3.35Å; Y24-K64 VanDerWaalsContact N-O 3.09Å; Y24-K64 PolarHBondContact O-N 3.45Å; Y24-K64 VanDerWaalsContact O-N 3.15Å; Y62-K64 VanDerWaalsContact C-N 3.28Å; Y62-K64 PolarHBondContact O-N 2.99Å; K64-V66 PolarHBondContact O-N 2.84Å
65	S	66.7	Low	60.8	Low	59 Å²	59	74 Å²	74	41%	0.413	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	113.9	168.7	179.3	0	0	0	0	107.6	D21 A63 G67	D21-S65 PolarHBondContact OD1-OG 3.33Å; A63-S65 PolarHBondContact O-N 3.46Å; S65-G67 VanDerWaalsContact C-N 3.35Å; S65-G67 PolarHBondContact OG-N 3.35Å
66	V	71.8	Confident	62.8	Low	3 Å²	3	70 Å²	70	2%	0.018	39%	0.39	C	S	.	.			trans	-101.6	9.1	169.4	-66.5	0	0	0	0	109.9	A22 K64 Q68 I69 V70 I91 L100	A22-V66 HydrophobicContact CB-CG2 3.98Å; A22-V66 CarbonylContact O-C 3.42Å; A22-V66 WeakPolarHBondContact O-CG2 3.39Å; A22-V66 PolarHBondContact O-N 3.41Å; K64-V66 PolarHBondContact O-N 2.84Å; V66-Q68 VanDerWaalsContact C-N 3.32Å; V66-Q68 PolarHBondContact O-N 2.87Å; V66-I69 WeakPolarHBondContact O-CA 3.33Å; V66-I69 WeakPolarHBondContact O-CB 3.44Å; V66-I69 PolarHBondContact O-N 2.95Å; V66-V70 HydrophobicContact CB-CG2 4.37Å; V66-V70 HydrophobicContact CG2-CG2 3.95Å; V66-V70 WeakPolarHBondContact O-CG2 3.04Å; V66-V70 PolarHBondContact O-N 2.97Å; V66-I91 HydrophobicContact CG1-CG2 3.82Å; V66-L100 HydrophobicContact CG2-CD1 3.44Å; V66-L100 VanDerWaalsContact CG2-CD1 3.44Å
67	G	75.8	Confident	65.3	Low	2 Å²	2	68.4 Å²	68.4	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-49.5	-46	-176.8	0	0	0	0	0	113.3	A22 S65 I69 V70 K71	A22-G67 PolarHBondContact O-N 3.4Å; S65-G67 VanDerWaalsContact C-N 3.35Å; S65-G67 PolarHBondContact OG-N 3.35Å; G67-I69 VanDerWaalsContact C-N 3.34Å; G67-I69 PolarHBondContact O-N 3.28Å; G67-V70 PolarHBondContact O-N 2.85Å; G67-K71 VanDerWaalsContact O-CB 3.23Å; G67-K71 WeakPolarHBondContact O-CB 3.46Å; G67-K71 WeakPolarHBondContact O-CG 3.35Å; G67-K71 PolarHBondContact O-N 3.43Å
68	Q	73.8	Confident	67.6	Low	103 Å²	103	65.9 Å²	65.9	48%	0.481	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-37.9	176.2	-69.5	179.6	-3	0	0	113.2	V66 Q72 I621	V66-Q68 VanDerWaalsContact C-N 3.32Å; V66-Q68 PolarHBondContact O-N 2.87Å; Q68-Q72 WeakPolarHBondContact O-CB 3.34Å; Q68-Q72 VanDerWaalsContact O-CG 3.26Å; Q68-Q72 WeakPolarHBondContact O-CG 3.41Å; Q68-Q72 PolarHBondContact O-N 3.22Å; Q68-I621 PolarHBondContact NE2-O 3.5Å
69	I	74.7	Confident	69.8	Low	47 Å²	47	69.2 Å²	69.2	24%	0.241	36%	0.359	C	S	.	.	H	α-helix	trans	-72.9	-42.5	179.8	-55.1	178	0	0	0	109.9	V66 G67 Q72 L73 L86 K89 I91	V66-I69 WeakPolarHBondContact O-CA 3.33Å; V66-I69 WeakPolarHBondContact O-CB 3.44Å; V66-I69 PolarHBondContact O-N 2.95Å; G67-I69 VanDerWaalsContact C-N 3.34Å; G67-I69 PolarHBondContact O-N 3.28Å; I69-Q72 PolarHBondContact O-N 3.5Å; I69-L73 HydrophobicContact CG2-CD1 3.99Å; I69-L73 WeakPolarHBondContact O-CB 3.12Å; I69-L73 WeakPolarHBondContact O-CD1 3.08Å; I69-L73 WeakPolarHBondContact O-CG 3.35Å; I69-L73 PolarHBondContact O-N 3.29Å; I69-L73 VanDerWaalsContact O-N 3.16Å; I69-L86 HydrophobicContact CG2-CD2 4.14Å; I69-K89 HydrophobicContact CG2-CD 3.94Å; I69-I91 HydrophobicContact CD1-CD1 3.66Å; I69-I91 HydrophobicContact CD1-CG1 4.28Å; I69-I91 HydrophobicContact CG2-CD1 3.97Å
70	V	77.8	Confident	71.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-68	-38.2	177.9	175.6	0	0	0	0	111.1	I19 A22 V66 G67 L73 C74 L82 V102	I19-V70 HydrophobicContact CD1-CG1 4.33Å; I19-V70 HydrophobicContact CG1-CG1 4.13Å; I19-V70 HydrophobicContact CG2-CG1 3.94Å; A22-V70 HydrophobicContact CB-CB 3.72Å; A22-V70 HydrophobicContact CB-CG1 3.89Å; A22-V70 HydrophobicContact CB-CG2 3.61Å; V66-V70 HydrophobicContact CB-CG2 4.37Å; V66-V70 HydrophobicContact CG2-CG2 3.95Å; V66-V70 WeakPolarHBondContact O-CG2 3.04Å; V66-V70 PolarHBondContact O-N 2.97Å; G67-V70 PolarHBondContact O-N 2.85Å; V70-L73 PolarHBondContact O-N 3.33Å; V70-C74 VanDerWaalsContact O-CB 3.29Å; V70-C74 WeakPolarHBondContact O-CB 3.49Å; V70-C74 PolarHBondContact O-N 2.84Å; V70-C74 PolarHBondContact O-SG 2.84Å; V70-L82 HydrophobicContact CB-CD2 4.37Å; V70-L82 HydrophobicContact CG1-CD1 3.9Å; V70-L82 HydrophobicContact CG1-CD2 4.02Å; V70-L82 HydrophobicContact CG2-CD2 4.02Å; V70-V102 HydrophobicContact CG1-CG1 3.94Å; V70-V102 HydrophobicContact CG1-CG2 4.26Å
71	K	82.3	Confident	73.6	Confident	73 Å²	73	61.8 Å²	61.8	32%	0.317	32%	0.319	S	S	.	.	H	α-helix	trans	-56.8	-56.3	169.7	-78.7	174.8	172.4	172.6	0	111.7	I19 F20 G67 L73 C74 D75	I19-K71 HydrophobicContact CB-CG 3.85Å; I19-K71 HydrophobicContact CG2-CG 4.11Å; I19-K71 WeakPolarHBondContact O-CE 3.29Å; F20-K71 WeakPolarHBondContact O-CE 3.49Å; F20-K71 PolarHBondContact O-NZ 3.08Å; G67-K71 VanDerWaalsContact O-CB 3.23Å; G67-K71 WeakPolarHBondContact O-CB 3.46Å; G67-K71 WeakPolarHBondContact O-CG 3.35Å; G67-K71 PolarHBondContact O-N 3.43Å; K71-L73 PolarHBondContact O-N 2.93Å; K71-C74 PolarHBondContact O-N 3.36Å; K71-D75 WeakPolarHBondContact CA-OD2 3.43Å; K71-D75 WeakPolarHBondContact CB-OD2 3.14Å; K71-D75 WeakPolarHBondContact CG-OD2 3.33Å; K71-D75 WeakPolarHBondContact O-CB 3.4Å; K71-D75 PolarHBondContact O-N 2.76Å
72	Q	80	Confident	74.8	Confident	144 Å²	144	60.4 Å²	60.4	67%	0.673	31%	0.309	S	S	*	.	H	α-helix	trans	-55.7	-25	177	-76.9	174	-3.2	0	0	114.7	Q68 I69	Q68-Q72 WeakPolarHBondContact O-CB 3.34Å; Q68-Q72 VanDerWaalsContact O-CG 3.26Å; Q68-Q72 WeakPolarHBondContact O-CG 3.41Å; Q68-Q72 PolarHBondContact O-N 3.22Å; I69-Q72 PolarHBondContact O-N 3.5Å
73	L	79.4	Confident	75.5	Confident	33 Å²	33	53.7 Å²	53.7	17%	0.173	29%	0.285	C	S	.	.	H	α-helix	trans	-95.6	-27.2	-178.6	-70.2	173	0	0	0	113.7	I69 V70 K71 C80 L82 Q85 L86	I69-L73 HydrophobicContact CG2-CD1 3.99Å; I69-L73 WeakPolarHBondContact O-CB 3.12Å; I69-L73 WeakPolarHBondContact O-CD1 3.08Å; I69-L73 WeakPolarHBondContact O-CG 3.35Å; I69-L73 PolarHBondContact O-N 3.29Å; I69-L73 VanDerWaalsContact O-N 3.16Å; V70-L73 PolarHBondContact O-N 3.33Å; K71-L73 PolarHBondContact O-N 2.93Å; L73-C80 PolarHBondContact O-SG 2.9Å; L73-C80 VanDerWaalsContact O-SG 3.4Å; L73-L82 HydrophobicContact CB-CD2 4.45Å; L73-L82 HydrophobicContact CD1-CD2 4.28Å; L73-Q85 HydrophobicContact CD1-CB 3.73Å; L73-Q85 HydrophobicContact CD2-CB 4.06Å; L73-Q85 HydrophobicContact CD2-CG 4.31Å; L73-Q85 HydrophobicContact CG-CB 4.47Å; L73-L86 HydrophobicContact CD1-CD2 4.41Å
74	C	83.4	Confident	75.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-122.6	-26	-168.6	-59.2	0	0	0	0	115.8	L17 I19 V70 K71 G76 T77 C80 L82	L17-C74 WeakPolarHBondContact CB-O 3.49Å; L17-C74 HydrophobicContact CD1-CB 4.44Å; I19-C74 HydrophobicContact CD1-CB 3.93Å; I19-C74 HydrophobicContact CG1-CB 3.87Å; V70-C74 VanDerWaalsContact O-CB 3.29Å; V70-C74 WeakPolarHBondContact O-CB 3.49Å; V70-C74 PolarHBondContact O-N 2.84Å; V70-C74 PolarHBondContact O-SG 2.84Å; K71-C74 PolarHBondContact O-N 3.36Å; C74-G76 PolarHBondContact O-N 3.14Å; C74-T77 WeakPolarHBondContact O-CB 3.41Å; C74-T77 PolarHBondContact O-N 2.95Å; C74-T77 VanDerWaalsContact O-N 3.08Å; C74-T77 PolarHBondContact O-OG1 3.18Å; C74-C80 WeakPolarHBondContact CA-SG 3.36Å; C74-C80 HydrophobicContact CB-CB 3.52Å; C74-C80 WeakPolarHBondContact CB-SG 3.07Å; C74-C80 WeakPolarHBondContact SG-CB 3.32Å; C74-C80 CovalentContact SG-SG 2.03Å; C74-C80 PolarHBondContact SG-SG 3.16Å; C74-L82 VanDerWaalsContact SG-CD2 3.55Å
75	D	80.9	Confident	76	Confident	65 Å²	65	52.9 Å²	52.9	35%	0.348	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	137.1	-174.6	-77.5	-25.1	0	0	0	111.5	I19 K71 T77	I19-D75 WeakPolarHBondContact CB-OD1 3.48Å; I19-D75 WeakPolarHBondContact CG1-OD1 3.32Å; I19-D75 PolarHBondContact N-OD1 2.87Å; K71-D75 WeakPolarHBondContact CA-OD2 3.43Å; K71-D75 WeakPolarHBondContact CB-OD2 3.14Å; K71-D75 WeakPolarHBondContact CG-OD2 3.33Å; K71-D75 WeakPolarHBondContact O-CB 3.4Å; K71-D75 PolarHBondContact O-N 2.76Å; D75-T77 PolarHBondContact O-N 3.33Å; D75-T77 VanDerWaalsContact O-N 3.14Å
76	G	77.3	Confident	76	Confident	53 Å²	53	50.7 Å²	50.7	55%	0.546	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	-12.6	-176.2	0	0	0	0	0	114.9	T16 L17 C74	T16-G76 WeakPolarHBondContact CG2-O 3.41Å; L17-G76 PolarHBondContact O-N 3.38Å; C74-G76 PolarHBondContact O-N 3.14Å
77	T	82.1	Confident	75.5	Confident	47 Å²	47	53 Å²	53	29%	0.288	27%	0.266	S	S	.	.			trans	-77.1	147.7	174.7	73	0	0	0	0	111	L17 C74 D75 R79	L17-T77 WeakPolarHBondContact CB-O 3.34Å; L17-T77 PolarHBondContact N-O 2.89Å; C74-T77 WeakPolarHBondContact O-CB 3.41Å; C74-T77 PolarHBondContact O-N 2.95Å; C74-T77 VanDerWaalsContact O-N 3.08Å; C74-T77 PolarHBondContact O-OG1 3.18Å; D75-T77 PolarHBondContact O-N 3.33Å; D75-T77 VanDerWaalsContact O-N 3.14Å; T77-R79 PolarHBondContact OG1-O 2.93Å
78	N	81.5	Confident	74.7	Confident	57 Å²	57	59.5 Å²	59.5	31%	0.305	30%	0.296	S	S	.	.	S	Bend	trans	-78	-26.4	170.1	173.9	-103.3	0	0	0	112.1	Y10 C11 P12 T15	Y10-N78 VanDerWaalsContact CE2-OD1 3.29Å; Y10-N78 WeakPolarHBondContact CE2-OD1 3.35Å; C11-N78 PolarHBondContact N-O 3.04Å; C11-N78 PolarHBondContact O-ND2 3.33Å; P12-N78 PolarHBondContact O-ND2 2.73Å; T15-N78 PolarHBondContact O-ND2 2.62Å
79	R	82.6	Confident	74.1	Confident	159 Å²	159	59.2 Å²	59.2	60%	0.6	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.1	132.8	179.4	-169.5	-179.2	179.9	-169.5	-0.3	110	S8 I9 Y10 T77	S8-R79 PolarHBondContact OG-NE 3.17Å; S8-R79 PolarHBondContact OG-NH2 2.82Å; I9-R79 CarbonylContact O-C 3.54Å; I9-R79 VanDerWaalsContact O-CA 3.28Å; I9-R79 WeakPolarHBondContact O-CA 3.3Å; Y10-R79 HydrophobicContact CD2-CB 4.11Å; Y10-R79 HydrophobicContact CD2-CG 4.22Å; T77-R79 PolarHBondContact OG1-O 2.93Å
80	C	83.2	Confident	73.4	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.034	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.4	-179.9	-170.9	0	0	0	0	111.2	S8 I9 L17 L73 C74	S8-C80 CarbonylContact C-O 3.55Å; S8-C80 WeakPolarHBondContact CA-O 3.37Å; S8-C80 WeakPolarHBondContact CB-O 3.13Å; I9-C80 PolarHBondContact N-O 2.88Å; I9-C80 PolarHBondContact O-N 3.12Å; L17-C80 HydrophobicContact CD1-CB 3.66Å; L73-C80 PolarHBondContact O-SG 2.9Å; L73-C80 VanDerWaalsContact O-SG 3.4Å; C74-C80 WeakPolarHBondContact CA-SG 3.36Å; C74-C80 HydrophobicContact CB-CB 3.52Å; C74-C80 WeakPolarHBondContact CB-SG 3.07Å; C74-C80 WeakPolarHBondContact SG-CB 3.32Å; C74-C80 CovalentContact SG-SG 2.03Å; C74-C80 PolarHBondContact SG-SG 3.16Å
81	N	77.9	Confident	72.4	Confident	63 Å²	63	65 Å²	65	34%	0.337	32%	0.324	S	S	.	.			trans	-113.2	91.4	179.2	-174.9	4.6	0	0	0	111.4	Q85	N81-Q85 PolarHBondContact O-OE1 3.47Å
82	L	73.2	Confident	71.2	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-74.8	-33.3	-169	-78.9	167.2	0	0	0	115.1	I9 V70 L73 C74 H84 Q85 L86 L100 V102 I847	I9-L82 HydrophobicContact CD1-CD1 3.6Å; I9-L82 HydrophobicContact CG1-CD1 4.18Å; V70-L82 HydrophobicContact CB-CD2 4.37Å; V70-L82 HydrophobicContact CG1-CD1 3.9Å; V70-L82 HydrophobicContact CG1-CD2 4.02Å; V70-L82 HydrophobicContact CG2-CD2 4.02Å; L73-L82 HydrophobicContact CB-CD2 4.45Å; L73-L82 HydrophobicContact CD1-CD2 4.28Å; C74-L82 VanDerWaalsContact SG-CD2 3.55Å; L82-H84 VanDerWaalsContact C-N 3.32Å; L82-H84 PolarHBondContact O-N 2.84Å; L82-Q85 PolarHBondContact O-N 3.41Å; L82-L86 HydrophobicContact CB-CD1 4.17Å; L82-L86 HydrophobicContact CD2-CD1 4.28Å; L82-L86 HydrophobicContact CD2-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CB 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.39Å; L82-L86 PolarHBondContact O-N 3.32Å; L82-L100 HydrophobicContact CB-CD2 4.27Å; L82-L100 HydrophobicContact CD1-CD2 3.99Å; L82-V102 HydrophobicContact CD1-CG2 3.76Å; L82-I847 HydrophobicContact CB-CD1 4.38Å
83	I	64.9	Low	70	Confident	25 Å²	25	62.3 Å²	62.3	13%	0.128	32%	0.319	C	S	.	.	H	α-helix	trans	-57.1	-49.7	-176.5	-60.5	177.6	0	0	0	110.1	Q5 Q85 K87 I847	Q5-I83 VanDerWaalsContact O-CD1 3.3Å; Q5-I83 WeakPolarHBondContact O-CD1 3.21Å; I83-Q85 PolarHBondContact O-N 3.31Å; I83-K87 HydrophobicContact CG2-CD 3.92Å; I83-K87 HydrophobicContact CG2-CG 4.48Å; I83-K87 WeakPolarHBondContact O-CB 3.5Å; I83-K87 VanDerWaalsContact O-CG 3.3Å; I83-K87 WeakPolarHBondContact O-CG 3.01Å; I83-K87 PolarHBondContact O-N 3.42Å; I83-I847 HydrophobicContact CD1-CG2 3.75Å; I83-I847 HydrophobicContact CG1-CG2 3.4Å
84	H	62.1	Low	68.9	Low	112 Å²	112	61.4 Å²	61.4	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-44.3	-177.9	-165.9	-78	0	0	0	112.1	L82 Q88	L82-H84 VanDerWaalsContact C-N 3.32Å; L82-H84 PolarHBondContact O-N 2.84Å; H84-Q88 PolarHBondContact CE1-NE2 3.33Å; H84-Q88 PolarHBondContact ND1-OE1 3.4Å; H84-Q88 WeakPolarHBondContact O-CG 3.19Å; H84-Q88 PolarHBondContact O-N 2.85Å
85	Q	63.7	Low	67.3	Low	61 Å²	61	65.6 Å²	65.6	29%	0.285	34%	0.342	S	S	.	.	H	α-helix	trans	-78.7	-27.7	-174.2	-64.6	173.2	-34.3	0	0	113.4	L73 N81 L82 I83	L73-Q85 HydrophobicContact CD1-CB 3.73Å; L73-Q85 HydrophobicContact CD2-CB 4.06Å; L73-Q85 HydrophobicContact CD2-CG 4.31Å; L73-Q85 HydrophobicContact CG-CB 4.47Å; N81-Q85 PolarHBondContact O-OE1 3.47Å; L82-Q85 PolarHBondContact O-N 3.41Å; I83-Q85 PolarHBondContact O-N 3.31Å
86	L	66.6	Low	66	Low	13 Å²	13	66.5 Å²	66.5	7%	0.068	34%	0.341	C	S	.	.	H	α-helix	trans	-80.1	-40.3	174.4	-67.4	173.8	0	0	0	111.8	I69 L73 L82 Q88 K89 I91 L100	I69-L86 HydrophobicContact CG2-CD2 4.14Å; L73-L86 HydrophobicContact CD1-CD2 4.41Å; L82-L86 HydrophobicContact CB-CD1 4.17Å; L82-L86 HydrophobicContact CD2-CD1 4.28Å; L82-L86 HydrophobicContact CD2-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CB 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.39Å; L82-L86 PolarHBondContact O-N 3.32Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.15Å; L86-K89 PolarHBondContact O-N 3.27Å; L86-K89 VanDerWaalsContact O-N 3.07Å; L86-I91 HydrophobicContact CD2-CD1 3.59Å; L86-L100 HydrophobicContact CD1-CD1 4.16Å; L86-L100 HydrophobicContact CD1-CD2 3.51Å; L86-L100 HydrophobicContact CD1-CG 4.43Å
87	K	62	Low	65	Low	52 Å²	52	67 Å²	67	23%	0.226	34%	0.335	C	S	.	.	H	α-helix	trans	-57.3	-43.2	172.1	-75.5	-177.4	177.7	-173.8	0	111	D4 I83 K89 N90 D849 N851	D4-K87 IonicContact OD1-NZ 3.78Å; I83-K87 HydrophobicContact CG2-CD 3.92Å; I83-K87 HydrophobicContact CG2-CG 4.48Å; I83-K87 WeakPolarHBondContact O-CB 3.5Å; I83-K87 VanDerWaalsContact O-CG 3.3Å; I83-K87 WeakPolarHBondContact O-CG 3.01Å; I83-K87 PolarHBondContact O-N 3.42Å; K87-K89 PolarHBondContact O-N 2.86Å; K87-N90 PolarHBondContact O-N 3.48Å; K87-D849 WeakPolarHBondContact CE-OD1 3.5Å; K87-D849 IonicContact NZ-OD1 2.83Å; K87-D849 PolarHBondContact NZ-OD1 3.35Å; K87-N851 VanDerWaalsContact NZ-CG 3.33Å; K87-N851 PolarHBondContact NZ-ND2 2.9Å; K87-N851 VanDerWaalsContact NZ-ND2 3.15Å; K87-N851 PolarHBondContact NZ-OD1 3.08Å
88	Q	59.1	Low	63.9	Low	138 Å²	138	65 Å²	65	65%	0.645	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.9	175.5	-79.4	179.1	-37.7	0	0	115.2	H84 L86	H84-Q88 PolarHBondContact CE1-NE2 3.33Å; H84-Q88 PolarHBondContact ND1-OE1 3.4Å; H84-Q88 WeakPolarHBondContact O-CG 3.19Å; H84-Q88 PolarHBondContact O-N 2.85Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.15Å
89	K	61.5	Low	63.2	Low	97 Å²	97	64.1 Å²	64.1	42%	0.422	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	4.3	-177.4	-74.9	-175.4	175.2	-178.9	0	114.2	I69 L86 K87 I91	I69-K89 HydrophobicContact CG2-CD 3.94Å; L86-K89 PolarHBondContact O-N 3.27Å; L86-K89 VanDerWaalsContact O-N 3.07Å; K87-K89 PolarHBondContact O-N 2.86Å; K89-I91 HydrophobicContact CB-CD1 3.57Å; K89-I91 HydrophobicContact CB-CG1 3.78Å; K89-I91 HydrophobicContact CD-CD1 4.22Å; K89-I91 PolarHBondContact O-N 2.94Å; K89-I91 VanDerWaalsContact O-N 3.12Å
90	N	59	Low	62.7	Low	139 Å²	139	56.8 Å²	56.8	74%	0.743	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	36.1	-178.8	-79.8	-15.5	0	0	0	114.2	K87 T92	K87-N90 PolarHBondContact O-N 3.48Å; N90-T92 VanDerWaalsContact C-N 3.31Å
91	I	58.3	Low	62.3	Low	29 Å²	29	58.3 Å²	58.3	15%	0.149	30%	0.296	C	S	.	.			trans	-74.5	-26	-177.5	-64.6	160.3	0	0	0	111.2	V66 I69 L86 K89 N93	V66-I91 HydrophobicContact CG1-CG2 3.82Å; I69-I91 HydrophobicContact CD1-CD1 3.66Å; I69-I91 HydrophobicContact CD1-CG1 4.28Å; I69-I91 HydrophobicContact CG2-CD1 3.97Å; L86-I91 HydrophobicContact CD2-CD1 3.59Å; K89-I91 HydrophobicContact CB-CD1 3.57Å; K89-I91 HydrophobicContact CB-CG1 3.78Å; K89-I91 HydrophobicContact CD-CD1 4.22Å; K89-I91 PolarHBondContact O-N 2.94Å; K89-I91 VanDerWaalsContact O-N 3.12Å; I91-N93 PolarHBondContact O-N 3.09Å
92	T	57.2	Low	62.3	Low	27 Å²	27	55.3 Å²	55.3	17%	0.166	28%	0.28	C	S	.	.			trans	-96	64.3	-167.5	52.8	0	0	0	0	113	Y24 N90 C94 D849	Y24-T92 HydrophobicContact CD1-CG2 4.43Å; Y24-T92 HydrophobicContact CD2-CG2 4.11Å; Y24-T92 HydrophobicContact CE1-CG2 3.84Å; Y24-T92 HydrophobicContact CE2-CG2 3.48Å; Y24-T92 VanDerWaalsContact CE2-CG2 3.48Å; N90-T92 VanDerWaalsContact C-N 3.31Å; T92-C94 PolarHBondContact O-N 2.79Å; T92-D849 PolarHBondContact OG1-OD2 2.95Å
93	N	55	Low	62.5	Low	133 Å²	133	57.3 Å²	57.3	71%	0.711	29%	0.29	S	S	*	.			trans	-77	10.4	174.8	-108.3	-1.3	0	0	0	114.7	I91	I91-N93 PolarHBondContact O-N 3.09Å
94	C	56.1	Low	63.2	Low	15 Å²	15	57.3 Å²	57.3	10%	0.101	29%	0.289	C	S	.	.			trans	-69	133.3	177.4	-56.2	0	0	0	0	111.3	C61 T92 Y96	C61-C94 HydrophobicContact CB-CB 4.02Å; C61-C94 WeakPolarHBondContact CB-SG 3.35Å; C61-C94 WeakPolarHBondContact SG-CA 3.14Å; C61-C94 WeakPolarHBondContact SG-CB 3.08Å; C61-C94 CovalentContact SG-SG 2.04Å; C61-C94 PolarHBondContact SG-SG 3Å; T92-C94 PolarHBondContact O-N 2.79Å; C94-Y96 VanDerWaalsContact C-N 3.26Å
95	P	48.9	Very low	64.1	Low	87 Å²	87	54 Å²	54	57%	0.565	28%	0.277	S	S	*	.	S	Bend	trans	-85.6	5.8	173.3	34.7	-34.5	0	0	0	113.2
96	Y	52.9	Low	65	Low	84 Å²	84	52.4 Å²	52.4	33%	0.329	27%	0.272	S	S	.	.	S	Bend	trans	-127.9	152.7	-172.5	-62.2	-57.8	0	0	0	112	C94 S98	C94-Y96 VanDerWaalsContact C-N 3.26Å; Y96-S98 PolarHBondContact O-N 2.85Å; Y96-S98 PolarHBondContact O-OG 3.49Å
97	P	56.8	Low	65.5	Low	65 Å²	65	52.1 Å²	52.1	42%	0.422	27%	0.271	S	S	.	.			trans	-55.6	129	176.1	23.5	-34.4	0	0	0	110.8	V27 Y848	V27-P97 PolarHBondContact N-O 3.37Å; P97-Y848 HydrophobicContact CB-CE2 4.05Å
98	S	59.9	Low	66.1	Low	4 Å²	4	51.8 Å²	51.8	3%	0.028	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.1	-168.6	32.4	0	0	0	0	110.7	Y24 S25 Y96	Y24-S98 VanDerWaalsContact CE1-CB 3.41Å; Y24-S98 VanDerWaalsContact CE1-OG 3.28Å; Y24-S98 WeakPolarHBondContact CE1-OG 3.36Å; Y24-S98 WeakPolarHBondContact OH-CB 3.34Å; Y24-S98 PolarHBondContact OH-OG 2.78Å; S25-S98 CarbonylContact O-C 3.5Å; S25-S98 WeakPolarHBondContact O-CA 3.02Å; S25-S98 WeakPolarHBondContact O-CB 3.44Å; Y96-S98 PolarHBondContact O-N 2.85Å; Y96-S98 PolarHBondContact O-OG 3.49Å
99	F	66.8	Low	66.6	Low	39 Å²	39	49.4 Å²	49.4	17%	0.171	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.3	-177.5	68.4	-84.3	0	0	0	110.7	S25 V27 Q101 F846 I847	S25-F99 PolarHBondContact N-O 2.89Å; S25-F99 WeakPolarHBondContact O-CD1 3.31Å; S25-F99 PolarHBondContact O-N 2.91Å; S25-F99 WeakPolarHBondContact OG-CE1 3.32Å; S25-F99 WeakPolarHBondContact OG-CE2 3.43Å; S25-F99 WeakPolarHBondContact OG-CZ 3.38Å; V27-F99 HydrophobicContact CG2-CD1 3.68Å; V27-F99 HydrophobicContact CG2-CE1 4.36Å; F99-Q101 HydrophobicContact CD2-CB 4.18Å; F99-Q101 HydrophobicContact CE2-CB 4.09Å; F99-F846 AromaticContact CD2-CD1 3.71Å; F99-F846 HydrophobicContact CD2-CD1 3.71Å; F99-F846 HydrophobicContact CD2-CE1 4.06Å; F99-F846 HydrophobicContact CE2-CD1 4.13Å; F99-F846 AromaticContact CE2-CE1 3.99Å; F99-F846 HydrophobicContact CE2-CE1 3.99Å; F99-I847 WeakPolarHBondContact CA-O 3.4Å
100	L	72.6	Confident	67.2	Low	4 Å²	4	50.1 Å²	50.1	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.2	162.3	178.6	78.6	0	0	0	108.3	Y23 Y24 V66 L82 L86 V102 F846 I847	Y23-L100 WeakPolarHBondContact O-CA 3.35Å; Y24-L100 HydrophobicContact CD2-CB 3.98Å; Y24-L100 HydrophobicContact CD2-CD1 4.12Å; Y24-L100 HydrophobicContact CE2-CB 4.34Å; V66-L100 HydrophobicContact CG2-CD1 3.44Å; V66-L100 VanDerWaalsContact CG2-CD1 3.44Å; L82-L100 HydrophobicContact CB-CD2 4.27Å; L82-L100 HydrophobicContact CD1-CD2 3.99Å; L86-L100 HydrophobicContact CD1-CD1 4.16Å; L86-L100 HydrophobicContact CD1-CD2 3.51Å; L86-L100 HydrophobicContact CD1-CG 4.43Å; L100-V102 HydrophobicContact CD1-CG2 4.45Å; L100-V102 HydrophobicContact CD2-CG2 3.7Å; L100-V102 HydrophobicContact CG-CG2 3.81Å; L100-F846 WeakPolarHBondContact O-CA 3.49Å; L100-I847 HydrophobicContact CB-CB 4.22Å; L100-I847 HydrophobicContact CD2-CB 4.48Å; L100-I847 HydrophobicContact CD2-CD1 4.32Å; L100-I847 PolarHBondContact N-O 2.91Å; L100-I847 PolarHBondContact O-N 3.06Å
101	Q	74.2	Confident	68.2	Low	38 Å²	38	44.9 Å²	44.9	18%	0.178	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.3	164.4	-179.2	-175.3	-33.1	0	0	109	A22 Y23 F99 N103 F846	A22-Q101 WeakPolarHBondContact CA-O 3.22Å; Y23-Q101 PolarHBondContact N-O 3.37Å; Y23-Q101 PolarHBondContact O-N 2.87Å; F99-Q101 HydrophobicContact CD2-CB 4.18Å; F99-Q101 HydrophobicContact CE2-CB 4.09Å; Q101-N103 PolarHBondContact NE2-OD1 3.35Å; Q101-F846 HydrophobicContact CB-CD1 4.5Å; Q101-F846 HydrophobicContact CB-CE1 4.36Å; Q101-F846 HydrophobicContact CG-CE1 4.3Å
102	V	77.3	Confident	69.5	Low	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128	172	-172.8	0	0	0	0	110	I9 I19 A22 V70 L82 L100 Y104 S845	I9-V102 HydrophobicContact CD1-CB 3.83Å; I9-V102 HydrophobicContact CD1-CG1 3.71Å; I9-V102 HydrophobicContact CD1-CG2 4.02Å; I19-V102 HydrophobicContact CD1-CG1 3.9Å; I19-V102 HydrophobicContact CG2-CG1 4.07Å; A22-V102 HydrophobicContact CB-CB 4.47Å; A22-V102 HydrophobicContact CB-CG1 4.32Å; A22-V102 HydrophobicContact CB-CG2 4.11Å; V70-V102 HydrophobicContact CG1-CG1 3.94Å; V70-V102 HydrophobicContact CG1-CG2 4.26Å; L82-V102 HydrophobicContact CD1-CG2 3.76Å; L100-V102 HydrophobicContact CD1-CG2 4.45Å; L100-V102 HydrophobicContact CD2-CG2 3.7Å; L100-V102 HydrophobicContact CG-CG2 3.81Å; V102-Y104 HydrophobicContact CG1-CD1 4.43Å; V102-S845 PolarHBondContact N-O 3.31Å
103	N	77.7	Confident	70.8	Confident	41 Å²	41	47.4 Å²	47.4	22%	0.219	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113	172.9	-57.9	-51.4	0	0	0	108.2	F20 D21 Q101	F20-N103 HydrophobicContact CB-CB 4.44Å; F20-N103 PolarHBondContact N-O 2.95Å; D21-N103 PolarHBondContact N-O 2.66Å; D21-N103 PolarHBondContact O-N 2.86Å; Q101-N103 PolarHBondContact NE2-OD1 3.35Å
104	Y	80.3	Confident	72.2	Confident	25 Å²	25	43.1 Å²	43.1	10%	0.098	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	168.8	-177.6	71	-85.7	0	0	0	112.6	I9 L17 H18 V102 N843	I9-Y104 HydrophobicContact CD1-CD1 4.3Å; I9-Y104 HydrophobicContact CD1-CE1 4.42Å; I9-Y104 HydrophobicContact CG2-CD1 3.77Å; I9-Y104 HydrophobicContact CG2-CD2 4Å; I9-Y104 HydrophobicContact CG2-CE1 3.31Å; I9-Y104 HydrophobicContact CG2-CE2 3.56Å; I9-Y104 HydrophobicContact CG2-CG 4.09Å; I9-Y104 WeakPolarHBondContact CG2-OH 3.2Å; L17-Y104 HydrophobicContact CD2-CD2 3.42Å; L17-Y104 VanDerWaalsContact CD2-CD2 3.42Å; L17-Y104 HydrophobicContact CD2-CE2 3.74Å; L17-Y104 HydrophobicContact CD2-CG 4.06Å; H18-Y104 WeakPolarHBondContact O-CA 3.22Å; V102-Y104 HydrophobicContact CG1-CD1 4.43Å; Y104-N843 HydrophobicContact CE1-CB 3.63Å; Y104-N843 WeakPolarHBondContact CE1-O 3.06Å; Y104-N843 HydrophobicContact CE2-CB 4.1Å; Y104-N843 WeakPolarHBondContact OH-CB 3.44Å; Y104-N843 PolarHBondContact OH-ND2 3Å
105	T	80.5	Confident	73.6	Confident	44 Å²	44	42.8 Å²	42.8	27%	0.27	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	164.6	165	-174.8	0	0	0	0	110.1	H18 F20 L107	H18-T105 HydrophobicContact CB-CG2 3.97Å; H18-T105 PolarHBondContact N-O 2.04Å; H18-T105 PolarHBondContact O-N 2.95Å; F20-T105 HydrophobicContact CE1-CG2 4.02Å; F20-T105 HydrophobicContact CE2-CG2 3.71Å; F20-T105 HydrophobicContact CZ-CG2 3.31Å; T105-L107 HydrophobicContact CG2-CD1 4.21Å; T105-L107 HydrophobicContact CG2-CD2 3.74Å; T105-L107 HydrophobicContact CG2-CG 3.82Å
106	C	81.6	Confident	75.3	Confident	26 Å²	26	38.6 Å²	38.6	18%	0.176	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	109.8	174.5	-63.6	0	0	0	0	109.1	C11 T16	C11-C106 WeakPolarHBondContact CA-SG 3.37Å; C11-C106 HydrophobicContact CB-CB 3.74Å; C11-C106 WeakPolarHBondContact CB-SG 3.45Å; C11-C106 WeakPolarHBondContact SG-CA 3.4Å; C11-C106 WeakPolarHBondContact SG-CB 3.3Å; C11-C106 CovalentContact SG-SG 2.04Å; C11-C106 PolarHBondContact SG-SG 2.98Å; T16-C106 WeakPolarHBondContact O-CA 3.32Å
107	L	78.7	Confident	76.7	Confident	8 Å²	8	36 Å²	36	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	152.9	-178.5	-56.6	-178.1	0	0	0	110.3	T15 T16 H18 T105 V109 I136 L138 V229	T15-L107 CarbonylContact C-O 3.38Å; T15-L107 WeakPolarHBondContact CA-O 3.49Å; T15-L107 WeakPolarHBondContact CB-O 3.36Å; T16-L107 PolarHBondContact N-O 3.34Å; T16-L107 PolarHBondContact O-N 3.05Å; H18-L107 HydrophobicContact CB-CD1 3.74Å; H18-L107 HydrophobicContact CB-CG 4.07Å; T105-L107 HydrophobicContact CG2-CD1 4.21Å; T105-L107 HydrophobicContact CG2-CD2 3.74Å; T105-L107 HydrophobicContact CG2-CG 3.82Å; L107-V109 PolarHBondContact O-N 2.68Å; L107-I136 HydrophobicContact CD1-CG2 4.35Å; L107-I136 HydrophobicContact CD2-CD1 4.09Å; L107-L138 HydrophobicContact CD1-CD2 3.35Å; L107-V229 HydrophobicContact CD2-CG2 4.39Å
108	P	74.4	Confident	77.6	Confident	45 Å²	45	33.2 Å²	33.2	29%	0.292	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	141.1	174.9	-23.7	34.2	0	0	0	111.7	Y110 V229	P108-Y110 PolarHBondContact O-N 3.1Å; P108-Y110 VanDerWaalsContact O-N 3.09Å; P108-V229 HydrophobicContact CG-CG2 4.18Å
109	V	69	Low	78.4	Confident	87 Å²	87	40.2 Å²	40.2	53%	0.527	21%	0.211	S	C	.	.	S	Bend	trans	-54	-29.6	173.1	170.3	0	0	0	0	111.6	R14 T16 L107 S111	R14-V109 WeakPolarHBondContact O-CG2 3.4Å; R14-V109 PolarHBondContact O-N 2.88Å; T16-V109 HydrophobicContact CG2-CB 4.48Å; T16-V109 HydrophobicContact CG2-CG2 3.71Å; L107-V109 PolarHBondContact O-N 2.68Å; V109-S111 PolarHBondContact O-N 3.09Å
110	Y	74.3	Confident	79.1	Confident	113 Å²	113	40.2 Å²	40.2	44%	0.443	22%	0.216	S	C	.	.			trans	-67.6	126.3	178.4	-178.5	-100	0	0	0	112.6	P108 K112 F129 T227	P108-Y110 PolarHBondContact O-N 3.1Å; P108-Y110 VanDerWaalsContact O-N 3.09Å; Y110-K112 HydrophobicContact CE1-CG 3.98Å; Y110-K112 WeakPolarHBondContact OH-CE 3.31Å; Y110-K112 VanDerWaalsContact OH-CG 3.27Å; Y110-K112 WeakPolarHBondContact OH-CG 3.21Å; Y110-F129 HydrophobicContact CD1-CZ 4.16Å; Y110-F129 HydrophobicContact CE1-CE2 4.2Å; Y110-F129 AromaticContact CE1-CZ 3.72Å; Y110-F129 HydrophobicContact CE1-CZ 3.72Å; Y110-T227 VanDerWaalsContact O-CB 3.29Å; Y110-T227 WeakPolarHBondContact O-CB 3.24Å; Y110-T227 PolarHBondContact O-OG1 2.89Å
111	S	80.2	Confident	79.8	Confident	29 Å²	29	48.3 Å²	48.3	20%	0.203	25%	0.247	C	C	.	.			trans	-142.3	139.3	170.2	62.4	0	0	0	0	110.4	V109 R225 Y226	V109-S111 PolarHBondContact O-N 3.09Å; S111-R225 PolarHBondContact OG-NE 3.27Å; S111-R225 PolarHBondContact OG-NH2 2.93Å; S111-R225 VanDerWaalsContact OG-NH2 3.13Å; S111-Y226 CarbonylContact C-O 3.57Å; S111-Y226 VanDerWaalsContact CA-O 3.24Å; S111-Y226 WeakPolarHBondContact CA-O 3.49Å
112	K	84.6	Confident	80.5	Confident	62 Å²	62	48.3 Å²	48.3	27%	0.27	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	146.3	166.7	-70	179.4	173.8	-176.9	0	110.2	Y110 R225 Y226	Y110-K112 HydrophobicContact CE1-CG 3.98Å; Y110-K112 WeakPolarHBondContact OH-CE 3.31Å; Y110-K112 VanDerWaalsContact OH-CG 3.27Å; Y110-K112 WeakPolarHBondContact OH-CG 3.21Å; K112-R225 WeakPolarHBondContact O-CA 3.3Å; K112-Y226 HydrophobicContact CB-CD1 3.98Å; K112-Y226 HydrophobicContact CB-CE1 3.55Å; K112-Y226 HydrophobicContact CB-CE2 4.28Å; K112-Y226 HydrophobicContact CD-CE1 4.15Å; K112-Y226 HydrophobicContact CD-CE2 3.88Å; K112-Y226 VanDerWaalsContact CD-CZ 3.48Å; K112-Y226 WeakPolarHBondContact CD-OH 3.36Å; K112-Y226 PolarHBondContact N-O 2.88Å; K112-Y226 PolarHBondContact O-N 2.83Å
113	Q	84.7	Confident	81.1	Confident	47 Å²	47	52.8 Å²	52.8	22%	0.22	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.1	169.7	-72.5	178.8	-35.6	0	0	108.9	T151 Y223 L224 R225	Q113-T151 VanDerWaalsContact OE1-CG2 3.29Å; Q113-T151 PolarHBondContact OE1-OG1 2.89Å; Q113-Y223 HydrophobicContact CB-CE2 4.2Å; Q113-Y223 HydrophobicContact CG-CE2 4.01Å; Q113-Y223 PolarHBondContact NE2-OH 2.87Å; Q113-Y223 VanDerWaalsContact NE2-OH 3.11Å; Q113-L224 CarbonylContact C-O 3.4Å; Q113-L224 WeakPolarHBondContact CA-O 3.48Å; Q113-R225 HydrophobicContact CG-CG 4.15Å
114	E	85.1	Confident	81.7	Confident	42 Å²	42	50.8 Å²	50.8	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	150.2	175	-57.4	-73.4	179.7	0	0	109.5	L124 L224 Y226	E114-L124 HydrophobicContact CG-CD2 4.28Å; E114-L224 PolarHBondContact N-O 2.7Å; E114-L224 PolarHBondContact O-N 3.23Å; E114-Y226 HydrophobicContact CG-CD1 4.37Å; E114-Y226 HydrophobicContact CG-CE1 3.64Å; E114-Y226 PolarHBondContact OE1-OH 2.86Å
115	V	84.5	Confident	82.1	Confident	8 Å²	8	50.8 Å²	50.8	5%	0.048	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	117.3	173.1	174.7	0	0	0	0	107.3	L150 N157 L158 Y221 Y223	V115-L150 HydrophobicContact CG2-CD1 3.98Å; V115-L150 HydrophobicContact CG2-CD2 3.93Å; V115-N157 HydrophobicContact CB-CB 4.24Å; V115-L158 HydrophobicContact CG1-CB 4.5Å; V115-L158 HydrophobicContact CG1-CD1 4.06Å; V115-Y221 HydrophobicContact CG1-CD2 3.98Å; V115-Y223 HydrophobicContact CG2-CD2 4.29Å
116	I	85.6	Confident	82.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.1	-172.8	-42.3	179.3	0	0	0	108.6	S120 V122 V192 P194 Y221 L222	I116-S120 WeakPolarHBondContact CG2-O 3.48Å; I116-S120 WeakPolarHBondContact CG2-OG 3.49Å; I116-V122 HydrophobicContact CD1-CB 3.9Å; I116-V122 HydrophobicContact CD1-CG2 3.97Å; I116-V122 HydrophobicContact CG1-CB 4.31Å; I116-V122 HydrophobicContact CG1-CG2 3.81Å; I116-V122 HydrophobicContact CG2-CG2 4.22Å; I116-V192 HydrophobicContact CD1-CB 4.19Å; I116-V192 HydrophobicContact CD1-CG1 4.19Å; I116-P194 HydrophobicContact CG2-CG 4.45Å; I116-P194 VanDerWaalsContact O-CG 3.32Å; I116-P194 WeakPolarHBondContact O-CG 3.39Å; I116-Y221 CarbonylContact O-C 3.53Å; I116-Y221 WeakPolarHBondContact O-CA 3.46Å; I116-L222 HydrophobicContact CB-CB 4.36Å; I116-L222 HydrophobicContact CD1-CD2 4.39Å; I116-L222 PolarHBondContact N-O 2.86Å; I116-L222 PolarHBondContact O-N 2.92Å
117	C	82.8	Confident	82.6	Confident	30 Å²	30	52.9 Å²	52.9	20%	0.203	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	157	178.9	-39.2	0	0	0	0	111.4	D119 S120 C161 P194	C117-D119 VanDerWaalsContact C-N 3.28Å; C117-D119 PolarHBondContact O-N 2.88Å; C117-D119 VanDerWaalsContact O-N 3.07Å; C117-S120 PolarHBondContact N-OG 2.98Å; C117-S120 PolarHBondContact O-N 3.28Å; C117-S120 PolarHBondContact O-OG 3.23Å; C117-S120 VanDerWaalsContact O-OG 3.09Å; C117-C161 WeakPolarHBondContact CA-SG 3.41Å; C117-C161 HydrophobicContact CB-CB 3.83Å; C117-C161 WeakPolarHBondContact CB-SG 3.34Å; C117-C161 WeakPolarHBondContact SG-CA 3.26Å; C117-C161 WeakPolarHBondContact SG-CB 3.39Å; C117-C161 PolarHBondContact SG-N 3.48Å; C117-C161 CovalentContact SG-SG 2.04Å; C117-C161 PolarHBondContact SG-SG 2.9Å; C117-P194 WeakPolarHBondContact O-CG 3.39Å
118	A	74.9	Confident	82.5	Confident	6 Å²	6	56.8 Å²	56.8	5%	0.05	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-39.9	-51.2	-176.2	0	0	0	0	0	114.8	S120 N195 T218 S220	A118-S120 VanDerWaalsContact C-N 3.33Å; A118-S120 PolarHBondContact O-N 2.87Å; A118-N195 PolarHBondContact O-ND2 3.49Å; A118-N195 VanDerWaalsContact O-ND2 3.08Å; A118-T218 WeakPolarHBondContact CB-O 3.44Å; A118-S220 WeakPolarHBondContact CA-O 3.34Å; A118-S220 WeakPolarHBondContact CB-O 3.5Å; A118-S220 PolarHBondContact N-O 3.21Å
119	D	75.9	Confident	82.6	Confident	150 Å²	150	59.7 Å²	59.7	80%	0.802	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	9.8	-172.2	-47.7	-61.2	0	0	0	113.7	C117	C117-D119 VanDerWaalsContact C-N 3.28Å; C117-D119 PolarHBondContact O-N 2.88Å; C117-D119 VanDerWaalsContact O-N 3.07Å
120	S	82.6	Confident	83	Confident	39 Å²	39	57.7 Å²	57.7	27%	0.273	30%	0.298	S	S	.	.			trans	-120.8	164.8	-178	74.3	0	0	0	0	113.8	I116 C117 A118 S193	I116-S120 WeakPolarHBondContact CG2-O 3.48Å; I116-S120 WeakPolarHBondContact CG2-OG 3.49Å; C117-S120 PolarHBondContact N-OG 2.98Å; C117-S120 PolarHBondContact O-N 3.28Å; C117-S120 PolarHBondContact O-OG 3.23Å; C117-S120 VanDerWaalsContact O-OG 3.09Å; A118-S120 VanDerWaalsContact C-N 3.33Å; A118-S120 PolarHBondContact O-N 2.87Å; S120-S193 WeakPolarHBondContact O-CB 3.34Å
121	Y	86.7	Confident	83.4	Confident	175 Å²	175	59.5 Å²	59.5	69%	0.686	31%	0.312	S	S	*	.			trans	-136.7	155.2	175.1	67.6	-88.8	0	0	0	110.1	V192	Y121-V192 CarbonylContact C-O 3.57Å; Y121-V192 VanDerWaalsContact CA-O 3.23Å; Y121-V192 WeakPolarHBondContact CA-O 3.37Å
122	V	88.8	Confident	83.4	Confident	37 Å²	37	62.7 Å²	62.7	22%	0.224	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.1	175.7	176.6	0	0	0	0	109.7	I116 L124 T191 V192	I116-V122 HydrophobicContact CD1-CB 3.9Å; I116-V122 HydrophobicContact CD1-CG2 3.97Å; I116-V122 HydrophobicContact CG1-CB 4.31Å; I116-V122 HydrophobicContact CG1-CG2 3.81Å; I116-V122 HydrophobicContact CG2-CG2 4.22Å; V122-L124 HydrophobicContact CG1-CD2 4.15Å; V122-L124 PolarHBondContact O-N 3.42Å; V122-T191 WeakPolarHBondContact O-CA 3.19Å; V122-V192 PolarHBondContact N-O 2.87Å; V122-V192 PolarHBondContact O-N 3.4Å
123	E	89.5	Confident	83.3	Confident	94 Å²	94	61 Å²	61	44%	0.439	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	100.1	165.4	-173.4	-170.2	144.5	0	0	109	K127 T189 T191	E123-K127 IonicContact OE1-NZ 3.33Å; E123-K127 PolarHBondContact OE1-NZ 3.18Å; E123-T189 WeakPolarHBondContact OE1-CG2 3.31Å; E123-T191 HydrophobicContact CB-CG2 4.24Å; E123-T191 HydrophobicContact CG-CG2 4.38Å
124	L	90.9	Very high	83.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	135.2	167.2	-48.9	178.7	0	0	0	108.5	E114 V122 L135 T189 C190 V192 L224 Y226	E114-L124 HydrophobicContact CG-CD2 4.28Å; V122-L124 HydrophobicContact CG1-CD2 4.15Å; V122-L124 PolarHBondContact O-N 3.42Å; L124-L135 HydrophobicContact CB-CD1 3.82Å; L124-L135 HydrophobicContact CB-CD2 3.91Å; L124-T189 CarbonylContact O-C 3.46Å; L124-T189 WeakPolarHBondContact O-CA 3.47Å; L124-C190 HydrophobicContact CB-CB 4.49Å; L124-C190 WeakPolarHBondContact CB-O 3.5Å; L124-C190 PolarHBondContact N-O 3.43Å; L124-C190 PolarHBondContact O-N 3.19Å; L124-V192 HydrophobicContact CD1-CG2 3.59Å; L124-V192 HydrophobicContact CG-CG2 4.07Å; L124-L224 HydrophobicContact CD1-CD2 3.43Å; L124-L224 VanDerWaalsContact CD1-CD2 3.43Å; L124-L224 HydrophobicContact CD2-CD2 3.36Å; L124-L224 HydrophobicContact CG-CD2 4.02Å; L124-Y226 HydrophobicContact CB-CE2 4.44Å; L124-Y226 HydrophobicContact CD2-CD1 4.05Å; L124-Y226 HydrophobicContact CD2-CE1 3.69Å
125	S	89.3	Confident	83.5	Confident	25 Å²	25	56.7 Å²	56.7	18%	0.175	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	128.7	-171.4	179.2	0	0	0	0	114.4	K127	S125-K127 WeakPolarHBondContact OG-CB 3.37Å; S125-K127 WeakPolarHBondContact OG-CD 3.29Å; S125-K127 WeakPolarHBondContact OG-CG 3.49Å; S125-K127 PolarHBondContact OG-N 3.33Å
126	C	88.1	Confident	83.6	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.301	C	S	.	.			trans	-100.2	5.3	169.2	-62.4	0	0	0	0	113.4	A128 F129 M133 L135 L188 C228	C126-A128 PolarHBondContact O-N 3.44Å; C126-F129 PolarHBondContact O-N 3.44Å; C126-M133 HydrophobicContact CB-CB 3.82Å; C126-L135 WeakPolarHBondContact SG-CD2 3.11Å; C126-L188 HydrophobicContact CB-CD1 4.13Å; C126-L188 PolarHBondContact N-O 3.42Å; C126-C228 WeakPolarHBondContact CA-SG 3.41Å; C126-C228 HydrophobicContact CB-CB 3.78Å; C126-C228 WeakPolarHBondContact CB-SG 3.46Å; C126-C228 WeakPolarHBondContact SG-CA 3.47Å; C126-C228 WeakPolarHBondContact SG-CB 3.38Å; C126-C228 CovalentContact SG-SG 2.04Å; C126-C228 PolarHBondContact SG-SG 3.39Å
127	K	84.1	Confident	83.7	Confident	114 Å²	114	57.2 Å²	57.2	50%	0.496	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-29.3	177.2	-69.1	168.8	173.6	152.7	0	113.2	E123 S125 F129 L188 T189	E123-K127 IonicContact OE1-NZ 3.33Å; E123-K127 PolarHBondContact OE1-NZ 3.18Å; S125-K127 WeakPolarHBondContact OG-CB 3.37Å; S125-K127 WeakPolarHBondContact OG-CD 3.29Å; S125-K127 WeakPolarHBondContact OG-CG 3.49Å; S125-K127 PolarHBondContact OG-N 3.33Å; K127-F129 PolarHBondContact O-N 2.89Å; K127-L188 HydrophobicContact CG-CD2 4.2Å; K127-L188 HydrophobicContact CG-CG 4.15Å; K127-T189 HydrophobicContact CD-CG2 3.75Å; K127-T189 HydrophobicContact CG-CG2 3.78Å
128	A	77.2	Confident	83.7	Confident	89 Å²	89	57.2 Å²	57.2	74%	0.736	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.1	179.2	0	0	0	0	0	114.9	C126	C126-A128 PolarHBondContact O-N 3.44Å
129	F	76.4	Confident	84.2	Confident	106 Å²	106	60.2 Å²	60.2	47%	0.465	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-55.8	-178.8	-66.7	-76.3	0	0	0	112.3	Y110 C126 K127 M133 C228	Y110-F129 HydrophobicContact CD1-CZ 4.16Å; Y110-F129 HydrophobicContact CE1-CE2 4.2Å; Y110-F129 AromaticContact CE1-CZ 3.72Å; Y110-F129 HydrophobicContact CE1-CZ 3.72Å; C126-F129 PolarHBondContact O-N 3.44Å; K127-F129 PolarHBondContact O-N 2.89Å; F129-M133 HydrophobicContact CB-CE 3.96Å; F129-M133 HydrophobicContact CB-CG 3.82Å; F129-M133 HydrophobicContact CG-CE 4.33Å; F129-C228 HydrophobicContact CD2-CB 3.62Å; F129-C228 HydrophobicContact CE2-CB 3.78Å; F129-C228 HydrophobicContact CG-CB 4.48Å
130	S	77.9	Confident	84.7	Confident	46 Å²	46	53.1 Å²	53.1	32%	0.322	28%	0.275	S	S	.	.			trans	-171.4	159	171.2	172.7	0	0	0	0	109.9	D132 M133 L188	S130-D132 PolarHBondContact O-N 3.36Å; S130-D132 PolarHBondContact OG-N 3.05Å; S130-D132 VanDerWaalsContact OG-N 3.15Å; S130-M133 WeakPolarHBondContact O-CB 3.08Å; S130-M133 WeakPolarHBondContact O-CG 3.04Å; S130-M133 PolarHBondContact O-N 3.48Å; S130-L188 VanDerWaalsContact O-CD1 3.26Å; S130-L188 WeakPolarHBondContact O-CD1 3.14Å
131	M	81	Confident	84.8	Confident	151 Å²	151	52.7 Å²	52.7	74%	0.744	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.6	168.7	-65.4	-76.6	-103.3	0	0	112.3	M133 L188	M131-M133 PolarHBondContact O-N 3.29Å; M131-L188 HydrophobicContact SD-CD2 3.9Å
132	D	80.4	Confident	84.6	Confident	95 Å²	95	44.4 Å²	44.4	51%	0.508	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	13.6	178.3	-71.6	-61.1	0	0	0	113.6	S130 H230 N231	S130-D132 PolarHBondContact O-N 3.36Å; S130-D132 PolarHBondContact OG-N 3.05Å; S130-D132 VanDerWaalsContact OG-N 3.15Å; D132-H230 WeakPolarHBondContact CB-NE2 3.5Å; D132-N231 VanDerWaalsContact O-CB 3.24Å; D132-N231 WeakPolarHBondContact O-CB 3.4Å; D132-N231 PolarHBondContact O-N 3.1Å; D132-N231 PolarHBondContact O-ND2 3.36Å
133	M	82.9	Confident	84	Confident	26 Å²	26	43.3 Å²	43.3	13%	0.128	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	152.3	175.6	-59	-71.6	-80.7	0	0	111.9	C126 F129 S130 M131 L188 C228 H230 N231	C126-M133 HydrophobicContact CB-CB 3.82Å; F129-M133 HydrophobicContact CB-CE 3.96Å; F129-M133 HydrophobicContact CB-CG 3.82Å; F129-M133 HydrophobicContact CG-CE 4.33Å; S130-M133 WeakPolarHBondContact O-CB 3.08Å; S130-M133 WeakPolarHBondContact O-CG 3.04Å; S130-M133 PolarHBondContact O-N 3.48Å; M131-M133 PolarHBondContact O-N 3.29Å; M133-L188 HydrophobicContact CB-CD1 4.48Å; M133-L188 WeakPolarHBondContact O-CD1 3.17Å; M133-C228 HydrophobicContact CE-CB 4Å; M133-C228 VanDerWaalsContact CE-O 3.28Å; M133-C228 WeakPolarHBondContact CE-O 3.18Å; M133-H230 VanDerWaalsContact SD-CA 3.52Å; M133-H230 HydrophobicContact SD-CB 3.88Å; M133-N231 VanDerWaalsContact C-ND2 3.3Å; M133-N231 PolarHBondContact O-ND2 3.11Å; M133-N231 VanDerWaalsContact O-ND2 3.15Å
134	G	85.3	Confident	83	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.3	171.1	0	0	0	0	0	111	V229	G134-V229 PolarHBondContact N-O 2.72Å; G134-V229 PolarHBondContact O-N 3.15Å
135	L	89	Confident	81.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	143.1	169.4	-70.6	161.6	0	0	0	110.2	L124 C126 N185 G186 Y187 C190 Y226	L124-L135 HydrophobicContact CB-CD1 3.82Å; L124-L135 HydrophobicContact CB-CD2 3.91Å; C126-L135 WeakPolarHBondContact SG-CD2 3.11Å; L135-N185 WeakPolarHBondContact O-CA 3.24Å; L135-G186 PolarHBondContact O-N 2.78Å; L135-Y187 WeakPolarHBondContact CB-O 3.4Å; L135-Y187 WeakPolarHBondContact CG-O 3.27Å; L135-Y187 PolarHBondContact N-O 2.83Å; L135-C190 HydrophobicContact CD1-CB 3.61Å; L135-Y226 HydrophobicContact CD2-CD2 3.41Å; L135-Y226 VanDerWaalsContact CD2-CD2 3.41Å; L135-Y226 HydrophobicContact CD2-CE2 3.63Å; L135-Y226 HydrophobicContact CD2-CG 4.38Å
136	I	87.4	Confident	79.8	Confident	14 Å²	14	44.9 Å²	44.9	7%	0.072	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	119.6	161.3	-60.5	-173.6	0	0	0	107.6	L107 L138 Y226 T227 V229 L234 L238	L107-I136 HydrophobicContact CD1-CG2 4.35Å; L107-I136 HydrophobicContact CD2-CD1 4.09Å; I136-L138 HydrophobicContact CG2-CD2 4.38Å; I136-Y226 CarbonylContact O-C 3.58Å; I136-Y226 VanDerWaalsContact O-CA 3.31Å; I136-Y226 WeakPolarHBondContact O-CA 3.38Å; I136-T227 HydrophobicContact CB-CG2 4.06Å; I136-T227 PolarHBondContact N-O 3.44Å; I136-T227 PolarHBondContact O-N 3.18Å; I136-V229 HydrophobicContact CD1-CB 3.78Å; I136-V229 HydrophobicContact CD1-CG1 4.08Å; I136-V229 HydrophobicContact CD1-CG2 3.78Å; I136-V229 HydrophobicContact CG1-CB 4.26Å; I136-V229 HydrophobicContact CG1-CG2 4.33Å; I136-L234 HydrophobicContact CD1-CD2 3.93Å; I136-L234 HydrophobicContact CD1-CG 4.31Å; I136-L234 HydrophobicContact CG1-CD2 4.01Å; I136-L238 HydrophobicContact CD1-CD1 4.33Å
137	V	87.2	Confident	78.1	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127	169.8	-177.5	0	0	0	0	108.4	A140 I177 I180 C184 N185 L224	V137-A140 HydrophobicContact CG1-CB 4.09Å; V137-I177 HydrophobicContact CG1-CG1 4.21Å; V137-I180 HydrophobicContact CG2-CG2 4.08Å; V137-C184 HydrophobicContact CG2-CB 4.16Å; V137-N185 PolarHBondContact N-OD1 2.03Å; V137-L224 HydrophobicContact CG1-CD1 3.87Å; V137-L224 HydrophobicContact CG2-CD1 4.42Å
138	L	82.6	Confident	76.8	Confident	31 Å²	31	44.8 Å²	44.8	16%	0.162	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-32.2	179	-59.7	176.5	0	0	0	111.6	L107 I136 I177 R225 T227	L107-L138 HydrophobicContact CD1-CD2 3.35Å; I136-L138 HydrophobicContact CG2-CD2 4.38Å; L138-I177 WeakPolarHBondContact O-CD1 3.29Å; L138-R225 HydrophobicContact CB-CB 4.39Å; L138-R225 HydrophobicContact CB-CG 4.39Å; L138-R225 HydrophobicContact CD1-CG 4.3Å; L138-R225 PolarHBondContact N-O 2.67Å; L138-T227 HydrophobicContact CD1-CG2 4.11Å; L138-T227 HydrophobicContact CD2-CG2 3.88Å; L138-T227 HydrophobicContact CG-CG2 4.09Å
139	E	84.4	Confident	75.4	Confident	69 Å²	69	49.8 Å²	49.8	32%	0.322	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	139	-174	-160.1	-179.6	-177.6	0	0	108.2	Y223 R225	E139-Y223 VanDerWaalsContact CD-CE1 3.44Å; E139-Y223 HydrophobicContact CG-CE1 4.15Å; E139-Y223 VanDerWaalsContact OE2-CE1 3.31Å; E139-Y223 WeakPolarHBondContact OE2-CE1 3.27Å; E139-Y223 PolarHBondContact OE2-OH 2.6Å; E139-R225 HydrophobicContact CB-CB 3.65Å; E139-R225 PolarHBondContact N-O 3.49Å; E139-R225 PolarHBondContact O-N 3.1Å
140	A	86.8	Confident	74.5	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	116.1	170.2	0	0	0	0	0	111.5	V137 S176 I177 I180 Y223 L224	V137-A140 HydrophobicContact CG1-CB 4.09Å; A140-S176 WeakPolarHBondContact CB-OG 3.37Å; A140-S176 PolarHBondContact O-N 2.82Å; A140-S176 PolarHBondContact O-OG 3.01Å; A140-I177 PolarHBondContact O-N 3.3Å; A140-I180 HydrophobicContact CB-CD1 3.66Å; A140-Y223 CarbonylContact C-O 3.56Å; A140-Y223 WeakPolarHBondContact CA-O 3.3Å; A140-L224 HydrophobicContact CB-CD1 3.77Å
141	V	85.1	Confident	73.3	Confident	30 Å²	30	46.9 Å²	46.9	18%	0.182	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.8	-177.4	-167.5	0	0	0	0	109.6	N143 Y223	V141-N143 VanDerWaalsContact CG1-OD1 3.27Å; V141-N143 WeakPolarHBondContact CG1-OD1 3.45Å; V141-N143 PolarHBondContact O-N 2.86Å; V141-Y223 PolarHBondContact N-O 2.89Å; V141-Y223 PolarHBondContact O-N 2.82Å
142	L	83.4	Confident	71.7	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	105.1	170.6	-177.8	68.9	0	0	0	108	I174 P194 V197 L201 L222	L142-I174 HydrophobicContact CB-CB 4.33Å; L142-I174 HydrophobicContact CD2-CD1 4.48Å; L142-I174 PolarHBondContact N-O 3.44Å; L142-I174 PolarHBondContact O-N 3.38Å; L142-P194 HydrophobicContact CD1-CB 3.79Å; L142-V197 HydrophobicContact CB-CG1 4.5Å; L142-V197 HydrophobicContact CD2-CB 4.27Å; L142-V197 HydrophobicContact CD2-CG1 3.97Å; L142-L201 HydrophobicContact CD2-CD1 4.48Å; L142-L222 HydrophobicContact CB-CD1 4.39Å; L142-L222 HydrophobicContact CD1-CB 4.14Å
143	N	76.1	Confident	70.4	Confident	14 Å²	14	43.4 Å²	43.4	8%	0.075	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	161.9	-178.2	-88.7	-4.8	0	0	0	112	V141 I148 S173 S220 Y221	V141-N143 VanDerWaalsContact CG1-OD1 3.27Å; V141-N143 WeakPolarHBondContact CG1-OD1 3.45Å; V141-N143 PolarHBondContact O-N 2.86Å; N143-I148 WeakPolarHBondContact ND2-CD1 2.93Å; N143-S173 WeakPolarHBondContact OD1-CA 3.5Å; N143-S173 WeakPolarHBondContact OD1-CB 3.4Å; N143-S220 CarbonylContact O-C 3.25Å; N143-S220 WeakPolarHBondContact O-CA 3.2Å; N143-Y221 HydrophobicContact CB-CD1 4.33Å; N143-Y221 HydrophobicContact CB-CE1 3.74Å; N143-Y221 HydrophobicContact CB-CE2 4Å; N143-Y221 PolarHBondContact N-O 2.7Å; N143-Y221 PolarHBondContact O-N 3.21Å; N143-Y221 VanDerWaalsContact O-O 3.1Å
144	H	68.1	Low	69.2	Low	7 Å²	7	42.3 Å²	42.3	3%	0.032	24%	0.237	C	C	.	.	S	Bend	trans	-127.8	-34.8	179.7	-56	97.2	0	0	0	110.9	Q168 C171 P172 S220	H144-Q168 PolarHBondContact O-NE2 2.73Å; H144-C171 HydrophobicContact CB-CB 3.39Å; H144-C171 VanDerWaalsContact CG-CB 3.41Å; H144-P172 PolarHBondContact CE1-O 3.34Å; H144-P172 PolarHBondContact ND1-O 2.86Å; H144-S220 VanDerWaalsContact CD2-CB 3.47Å; H144-S220 WeakPolarHBondContact CD2-CB 3.31Å; H144-S220 WeakPolarHBondContact NE2-CB 3.47Å
145	N	60.7	Low	67.8	Low	65 Å²	65	46.8 Å²	46.8	35%	0.348	26%	0.258	S	S	.	.	S	Bend	trans	-100.4	137.8	177.3	-62.2	11.2	0	0	0	110	S147 Y221	N145-S147 PolarHBondContact O-N 2.99Å; N145-Y221 PolarHBondContact O-OH 2.82Å
146	L	52.1	Low	66.4	Low	79 Å²	79	49.9 Å²	49.9	41%	0.414	28%	0.277	S	S	.	.			trans	-88.3	83.6	-168.1	-145.9	104.6	0	0	0	112.4	L158 L162 Y221	L146-L158 HydrophobicContact CD1-CD1 3.65Å; L146-L158 HydrophobicContact CD1-CD2 4.34Å; L146-L158 HydrophobicContact CD1-CG 3.86Å; L146-L158 HydrophobicContact CD2-CD1 4.48Å; L146-L158 HydrophobicContact CD2-CD2 3.62Å; L146-L158 HydrophobicContact CD2-CG 3.98Å; L146-L158 HydrophobicContact CG-CD1 4Å; L146-L158 HydrophobicContact CG-CD2 3.96Å; L146-L158 HydrophobicContact CG-CG 4.05Å; L146-L162 HydrophobicContact CD1-CD2 4.01Å; L146-L162 HydrophobicContact CD1-CG 4.04Å; L146-L162 HydrophobicContact CD2-CD1 3.76Å; L146-L162 HydrophobicContact CD2-CD2 4.05Å; L146-L162 HydrophobicContact CD2-CG 4.09Å; L146-Y221 HydrophobicContact CD1-CD1 4.47Å; L146-Y221 HydrophobicContact CD1-CE1 3.98Å
147	S	52.8	Low	65.1	Low	72 Å²	72	51.5 Å²	51.5	50%	0.503	29%	0.286	S	S	.	.			trans	-130.3	12.6	-175.4	61.2	0	0	0	0	115.7	N145	N145-S147 PolarHBondContact O-N 2.99Å
148	I	55.4	Low	63.9	Low	41 Å²	41	52 Å²	52	21%	0.21	29%	0.289	C	S	.	.			trans	-89.2	123.4	178.6	-44.4	178.6	0	0	0	109.6	N143 L150 Y221 Y223	N143-I148 WeakPolarHBondContact ND2-CD1 2.93Å; I148-L150 HydrophobicContact CB-CD1 4.13Å; I148-L150 HydrophobicContact CB-CG 4.19Å; I148-L150 HydrophobicContact CG2-CD1 4.38Å; I148-L150 HydrophobicContact CG2-CD2 4.27Å; I148-L150 HydrophobicContact CG2-CG 3.94Å; I148-L150 PolarHBondContact O-N 3.5Å; I148-Y221 HydrophobicContact CD1-CE2 3.8Å; I148-Y223 HydrophobicContact CD1-CD1 3.89Å; I148-Y223 HydrophobicContact CD1-CG 3.8Å
149	Q	48.6	Very low	62.9	Low	194 Å²	194	57.3 Å²	57.3	91%	0.907	31%	0.313	S	S	*	.			trans	-70.1	124.4	162.3	-73.9	-178.1	-15.8	0	0	109.1
150	L	56.5	Low	62	Low	19 Å²	19	60.5 Å²	60.5	10%	0.099	33%	0.325	C	S	.	.			trans	-124.3	155.7	-169.7	-83.2	156.8	0	0	0	110.3	V115 I148 S154 E155 L158 Y223	V115-L150 HydrophobicContact CG2-CD1 3.98Å; V115-L150 HydrophobicContact CG2-CD2 3.93Å; I148-L150 HydrophobicContact CB-CD1 4.13Å; I148-L150 HydrophobicContact CB-CG 4.19Å; I148-L150 HydrophobicContact CG2-CD1 4.38Å; I148-L150 HydrophobicContact CG2-CD2 4.27Å; I148-L150 HydrophobicContact CG2-CG 3.94Å; I148-L150 PolarHBondContact O-N 3.5Å; L150-S154 WeakPolarHBondContact CB-OG 3.46Å; L150-S154 WeakPolarHBondContact CD2-OG 3.04Å; L150-E155 HydrophobicContact CB-CG 3.97Å; L150-L158 HydrophobicContact CD1-CB 4.18Å; L150-L158 HydrophobicContact CD1-CD1 3.74Å; L150-L158 HydrophobicContact CD1-CD2 3.71Å; L150-L158 HydrophobicContact CD1-CG 4.08Å; L150-Y223 HydrophobicContact CD2-CD2 3.71Å; L150-Y223 HydrophobicContact CD2-CE2 3.73Å
151	T	53.9	Low	61.2	Low	72 Å²	72	61.9 Å²	61.9	44%	0.442	34%	0.335	S	S	.	.			trans	-77.7	148	173.5	57.9	0	0	0	0	110.1	Q113 P153 S154 E155	Q113-T151 VanDerWaalsContact OE1-CG2 3.29Å; Q113-T151 PolarHBondContact OE1-OG1 2.89Å; T151-P153 VanDerWaalsContact C-CD 3.4Å; T151-P153 WeakPolarHBondContact O-CD 3.47Å; T151-P153 VanDerWaalsContact O-N 3.08Å; T151-S154 PolarHBondContact N-OG 2.8Å; T151-S154 WeakPolarHBondContact O-CA 3.37Å; T151-S154 PolarHBondContact O-N 2.97Å; T151-S154 PolarHBondContact O-OG 2.96Å; T151-S154 PolarHBondContact OG1-OG 2.91Å; T151-E155 PolarHBondContact O-N 2.93Å
152	S	46.4	Very low	60	Low	85 Å²	85	65.1 Å²	65.1	59%	0.594	35%	0.351	S	S	*	.	H	α-helix	trans	-44.8	-40.9	-171.8	56.8	0	0	0	0	117.4	S154 E155 T156	S152-S154 VanDerWaalsContact C-N 3.31Å; S152-S154 PolarHBondContact O-N 2.95Å; S152-E155 WeakPolarHBondContact CA-OE2 3.43Å; S152-E155 PolarHBondContact O-N 2.82Å; S152-T156 PolarHBondContact O-N 3.2Å
153	P	53.8	Low	58.7	Low	87 Å²	87	74.4 Å²	74.4	57%	0.565	39%	0.386	S	S	*	.	H	α-helix	trans	-62.9	-38.3	174.5	24.7	-35.1	0	0	0	112.6	T151 T156	T151-P153 VanDerWaalsContact C-CD 3.4Å; T151-P153 WeakPolarHBondContact O-CD 3.47Å; T151-P153 VanDerWaalsContact O-N 3.08Å; P153-T156 PolarHBondContact O-N 3.45Å; P153-T156 PolarHBondContact O-OG1 3Å
154	S	57.9	Low	57.3	Low	3 Å²	3	79 Å²	79	2%	0.021	42%	0.419	C	S	.	.	H	α-helix	trans	-78.7	-26.2	-179.4	63.1	0	0	0	0	113.5	L150 T151 S152 T156 N157 L158	L150-S154 WeakPolarHBondContact CB-OG 3.46Å; L150-S154 WeakPolarHBondContact CD2-OG 3.04Å; T151-S154 PolarHBondContact N-OG 2.8Å; T151-S154 WeakPolarHBondContact O-CA 3.37Å; T151-S154 PolarHBondContact O-N 2.97Å; T151-S154 PolarHBondContact O-OG 2.96Å; T151-S154 PolarHBondContact OG1-OG 2.91Å; S152-S154 VanDerWaalsContact C-N 3.31Å; S152-S154 PolarHBondContact O-N 2.95Å; S154-T156 VanDerWaalsContact C-N 3.31Å; S154-T156 PolarHBondContact O-N 2.84Å; S154-N157 PolarHBondContact O-N 2.98Å; S154-N157 VanDerWaalsContact O-N 3.12Å; S154-L158 PolarHBondContact O-N 2.89Å
155	E	56.6	Low	56.3	Low	94 Å²	94	82.4 Å²	82.4	44%	0.439	44%	0.437	S	S	.	.	H	α-helix	trans	-58.8	-41.1	168.2	-64.8	-173.7	120.5	0	0	111.7	L150 T151 S152 N157 L158 Q159	L150-E155 HydrophobicContact CB-CG 3.97Å; T151-E155 PolarHBondContact O-N 2.93Å; S152-E155 WeakPolarHBondContact CA-OE2 3.43Å; S152-E155 PolarHBondContact O-N 2.82Å; E155-N157 PolarHBondContact O-N 3.14Å; E155-L158 WeakPolarHBondContact O-CB 3.28Å; E155-L158 PolarHBondContact O-N 2.75Å; E155-Q159 WeakPolarHBondContact O-CG 3Å; E155-Q159 PolarHBondContact O-N 3.48Å
156	T	58.2	Low	55.6	Low	65 Å²	65	85.6 Å²	85.6	40%	0.399	46%	0.459	S	S	.	.	H	α-helix	trans	-64.9	-24.3	177.1	78.1	0	0	0	0	113.1	S152 P153 S154 K160	S152-T156 PolarHBondContact O-N 3.2Å; P153-T156 PolarHBondContact O-N 3.45Å; P153-T156 PolarHBondContact O-OG1 3Å; S154-T156 VanDerWaalsContact C-N 3.31Å; S154-T156 PolarHBondContact O-N 2.84Å; T156-K160 WeakPolarHBondContact O-CD 3.5Å; T156-K160 WeakPolarHBondContact O-CE 3.43Å; T156-K160 WeakPolarHBondContact O-CG 3.15Å; T156-K160 PolarHBondContact O-NZ 2.8Å; T156-K160 PolarHBondContact OG1-NZ 2.84Å
157	N	60.1	Low	55.2	Low	48 Å²	48	88.8 Å²	88.8	26%	0.257	48%	0.477	S	S	.	.	H	α-helix	trans	-85.1	-35.3	174.8	-72.5	-16.1	0	0	0	111.4	V115 S154 E155 Q159 K160 C161	V115-N157 HydrophobicContact CB-CB 4.24Å; S154-N157 PolarHBondContact O-N 2.98Å; S154-N157 VanDerWaalsContact O-N 3.12Å; E155-N157 PolarHBondContact O-N 3.14Å; N157-Q159 VanDerWaalsContact C-N 3.31Å; N157-Q159 PolarHBondContact O-N 2.98Å; N157-K160 WeakPolarHBondContact O-CB 3.48Å; N157-K160 PolarHBondContact O-N 3.08Å; N157-K160 PolarHBondContact OD1-NZ 3.42Å; N157-C161 PolarHBondContact O-N 3.15Å; N157-C161 VanDerWaalsContact O-N 3.16Å; N157-C161 PolarHBondContact O-SG 3.34Å
158	L	62.3	Low	55.2	Low	16 Å²	16	90.1 Å²	90.1	8%	0.084	48%	0.475	C	S	.	.	H	α-helix	trans	-57.7	-43.8	169.4	-166.8	76.1	0	0	0	111.6	V115 L146 L150 S154 E155 K160 C161 L162 Y221	V115-L158 HydrophobicContact CG1-CB 4.5Å; V115-L158 HydrophobicContact CG1-CD1 4.06Å; L146-L158 HydrophobicContact CD1-CD1 3.65Å; L146-L158 HydrophobicContact CD1-CD2 4.34Å; L146-L158 HydrophobicContact CD1-CG 3.86Å; L146-L158 HydrophobicContact CD2-CD1 4.48Å; L146-L158 HydrophobicContact CD2-CD2 3.62Å; L146-L158 HydrophobicContact CD2-CG 3.98Å; L146-L158 HydrophobicContact CG-CD1 4Å; L146-L158 HydrophobicContact CG-CD2 3.96Å; L146-L158 HydrophobicContact CG-CG 4.05Å; L150-L158 HydrophobicContact CD1-CB 4.18Å; L150-L158 HydrophobicContact CD1-CD1 3.74Å; L150-L158 HydrophobicContact CD1-CD2 3.71Å; L150-L158 HydrophobicContact CD1-CG 4.08Å; S154-L158 PolarHBondContact O-N 2.89Å; E155-L158 WeakPolarHBondContact O-CB 3.28Å; E155-L158 PolarHBondContact O-N 2.75Å; L158-K160 PolarHBondContact O-N 2.67Å; L158-C161 PolarHBondContact O-N 2.78Å; L158-L162 PolarHBondContact O-N 3.02Å; L158-L162 VanDerWaalsContact O-N 3.14Å; L158-Y221 HydrophobicContact CD1-CD2 4.18Å; L158-Y221 HydrophobicContact CD1-CE2 3.8Å
159	Q	62.3	Low	55.2	Low	142 Å²	142	90.5 Å²	90.5	66%	0.664	49%	0.485	S	S	*	.	H	α-helix	trans	-62.5	-25.3	174	-73.1	-179.3	-3.4	0	0	113.7	E155 N157	E155-Q159 WeakPolarHBondContact O-CG 3Å; E155-Q159 PolarHBondContact O-N 3.48Å; N157-Q159 VanDerWaalsContact C-N 3.31Å; N157-Q159 PolarHBondContact O-N 2.98Å
160	K	64.9	Low	55.8	Low	135 Å²	135	86.2 Å²	86.2	59%	0.587	47%	0.474	S	S	*	.	H	α-helix	trans	-79.5	-26.1	173.3	-65.3	160	-157.3	146.3	0	112.3	T156 N157 L158 L162	T156-K160 WeakPolarHBondContact O-CD 3.5Å; T156-K160 WeakPolarHBondContact O-CE 3.43Å; T156-K160 WeakPolarHBondContact O-CG 3.15Å; T156-K160 PolarHBondContact O-NZ 2.8Å; T156-K160 PolarHBondContact OG1-NZ 2.84Å; N157-K160 WeakPolarHBondContact O-CB 3.48Å; N157-K160 PolarHBondContact O-N 3.08Å; N157-K160 PolarHBondContact OD1-NZ 3.42Å; L158-K160 PolarHBondContact O-N 2.67Å; K160-L162 VanDerWaalsContact C-N 3.32Å
161	C	69.1	Low	56.2	Low	31 Å²	31	86 Å²	86	21%	0.209	47%	0.474	C	S	.	.	H	α-helix	trans	-77.9	-18.6	171.4	-53.1	0	0	0	0	112.7	C117 N157 L158 R163	C117-C161 WeakPolarHBondContact CA-SG 3.41Å; C117-C161 HydrophobicContact CB-CB 3.83Å; C117-C161 WeakPolarHBondContact CB-SG 3.34Å; C117-C161 WeakPolarHBondContact SG-CA 3.26Å; C117-C161 WeakPolarHBondContact SG-CB 3.39Å; C117-C161 PolarHBondContact SG-N 3.48Å; C117-C161 CovalentContact SG-SG 2.04Å; C117-C161 PolarHBondContact SG-SG 2.9Å; N157-C161 PolarHBondContact O-N 3.15Å; N157-C161 VanDerWaalsContact O-N 3.16Å; N157-C161 PolarHBondContact O-SG 3.34Å; L158-C161 PolarHBondContact O-N 2.78Å; C161-R163 VanDerWaalsContact C-N 3.29Å; C161-R163 PolarHBondContact O-N 3.24Å
162	L	61.5	Low	57	Low	98 Å²	98	84.7 Å²	84.7	51%	0.513	47%	0.466	S	S	.	.			trans	-74.4	68.7	178.6	-86.5	170.2	0	0	0	113.3	L146 L158 K160	L146-L162 HydrophobicContact CD1-CD2 4.01Å; L146-L162 HydrophobicContact CD1-CG 4.04Å; L146-L162 HydrophobicContact CD2-CD1 3.76Å; L146-L162 HydrophobicContact CD2-CD2 4.05Å; L146-L162 HydrophobicContact CD2-CG 4.09Å; L158-L162 PolarHBondContact O-N 3.02Å; L158-L162 VanDerWaalsContact O-N 3.14Å; K160-L162 VanDerWaalsContact C-N 3.32Å
163	R	55.9	Low	58.4	Low	195 Å²	195	84.2 Å²	84.2	74%	0.736	46%	0.463	S	S	*	.			trans	-82.7	125.5	155.3	-84.9	-175.4	163.8	-168.5	-9.2	109.2	C161 N165	C161-R163 VanDerWaalsContact C-N 3.29Å; C161-R163 PolarHBondContact O-N 3.24Å; R163-N165 PolarHBondContact O-N 2.87Å
164	S	45.4	Very low	59.5	Low	110 Å²	110	80.9 Å²	80.9	77%	0.769	44%	0.44	S	S	*	.			trans	-62.6	92.5	-170.5	54.3	0	0	0	0	114.2
165	N	49	Very low	60.6	Low	80 Å²	80	84.6 Å²	84.6	43%	0.428	46%	0.46	S	S	.	.			trans	-98.5	90.2	162.6	-102.8	53.8	0	0	0	108.8	R163 N167 Q168 K219	R163-N165 PolarHBondContact O-N 2.87Å; N165-N167 PolarHBondContact O-N 3.43Å; N165-Q168 HydrophobicContact CB-CG 4.42Å; N165-K219 PolarHBondContact OD1-NZ 3.35Å
166	T	45.1	Very low	61.9	Low	131 Å²	131	80.1 Å²	80.1	80%	0.804	44%	0.439	S	S	*	.	S	Bend	trans	-65.9	-12.5	179.3	40.9	0	0	0	0	114.3
167	N	43.7	Very low	63.2	Low	146 Å²	146	79.3 Å²	79.3	78%	0.781	43%	0.432	S	S	*	.			trans	-118.3	93.3	175.8	-64.3	-38.6	0	0	0	109.9	N165	N165-N167 PolarHBondContact O-N 3.43Å
168	Q	52.4	Low	64.2	Low	100 Å²	100	80.2 Å²	80.2	47%	0.467	44%	0.441	S	S	.	.			trans	-109.5	121.6	169.3	-73.9	-172.8	-47.6	0	0	110.2	H144 N165	H144-Q168 PolarHBondContact O-NE2 2.73Å; N165-Q168 HydrophobicContact CB-CG 4.42Å
169	A	54.9	Low	65.3	Low	50 Å²	50	80 Å²	80	41%	0.413	44%	0.441	S	S	.	.			trans	-63.3	151.9	160.1	0	0	0	0	0	109.3	C171	A169-C171 PolarHBondContact O-N 2.84Å
170	P	62	Low	66.5	Low	104 Å²	104	73.5 Å²	73.5	68%	0.675	41%	0.41	S	S	*	.			trans	-71.9	77.5	-178.1	29.8	-35.8	0	0	0	111.8
171	C	65.1	Low	67.5	Low	15 Å²	15	67.9 Å²	67.9	10%	0.101	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-67.8	126.2	174.7	-73.2	0	0	0	0	110.1	H144 A169 C217	H144-C171 HydrophobicContact CB-CB 3.39Å; H144-C171 VanDerWaalsContact CG-CB 3.41Å; A169-C171 PolarHBondContact O-N 2.84Å; C171-C217 HydrophobicContact CB-CB 3.89Å; C171-C217 WeakPolarHBondContact CB-SG 3.31Å; C171-C217 WeakPolarHBondContact SG-CA 3.35Å; C171-C217 WeakPolarHBondContact SG-CB 3.45Å; C171-C217 CovalentContact SG-SG 2.03Å; C171-C217 PolarHBondContact SG-SG 2.94Å
172	P	70.2	Confident	68.2	Low	43 Å²	43	70.8 Å²	70.8	28%	0.279	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-65.3	146.9	-176.2	26.3	-34.4	0	0	0	112.1	H144 M208	H144-P172 PolarHBondContact CE1-O 3.34Å; H144-P172 PolarHBondContact ND1-O 2.86Å; P172-M208 HydrophobicContact CG-CE 4.29Å
173	S	75.1	Confident	69.4	Low	76 Å²	76	69.7 Å²	69.7	53%	0.531	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-67.4	134.2	162.4	53.2	0	0	0	0	109.8	N143	N143-S173 WeakPolarHBondContact OD1-CA 3.5Å; N143-S173 WeakPolarHBondContact OD1-CB 3.4Å
174	I	78.4	Confident	71	Confident	17 Å²	17	60.4 Å²	60.4	9%	0.087	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.2	-179.5	-51.3	178.2	0	0	0	109.4	L142 S176 L201 I212	L142-I174 HydrophobicContact CB-CB 4.33Å; L142-I174 HydrophobicContact CD2-CD1 4.48Å; L142-I174 PolarHBondContact N-O 3.44Å; L142-I174 PolarHBondContact O-N 3.38Å; I174-S176 PolarHBondContact O-N 2.97Å; I174-L201 HydrophobicContact CD1-CD1 3.89Å; I174-L201 HydrophobicContact CG2-CD1 4.06Å; I174-L201 HydrophobicContact CG2-CD2 4.22Å; I174-I212 HydrophobicContact CD1-CD1 3.38Å; I174-I212 HydrophobicContact CD1-CG1 4.04Å
175	D	81.4	Confident	73	Confident	80 Å²	80	55.9 Å²	55.9	43%	0.428	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	118.7	166.6	-178.8	4.7	0	0	0	108.8	I177 H622	D175-I177 WeakPolarHBondContact OD1-CB 3.29Å; D175-I177 WeakPolarHBondContact OD1-CG2 3.4Å; D175-I177 PolarHBondContact OD1-N 2.81Å; D175-H622 IonicContact OD2-ND1 3.72Å
176	S	83.9	Confident	74.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.306	C	S	.	.			trans	-118.2	7.4	-175.7	62.8	0	0	0	0	112.1	A140 I174 S178 I179 I180 L222	A140-S176 WeakPolarHBondContact CB-OG 3.37Å; A140-S176 PolarHBondContact O-N 2.82Å; A140-S176 PolarHBondContact O-OG 3.01Å; I174-S176 PolarHBondContact O-N 2.97Å; S176-S178 VanDerWaalsContact C-N 3.27Å; S176-S178 PolarHBondContact O-N 3.29Å; S176-I179 PolarHBondContact O-N 3.28Å; S176-I179 VanDerWaalsContact O-N 3.13Å; S176-I180 PolarHBondContact O-N 3.07Å; S176-I180 VanDerWaalsContact O-N 3.08Å; S176-L222 WeakPolarHBondContact OG-CD1 3.47Å
177	I	85.1	Confident	76.8	Confident	49 Å²	49	52.5 Å²	52.5	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-58.1	-39.5	-173.7	-161.5	177.5	0	0	0	111.8	V137 L138 A140 D175 S181	V137-I177 HydrophobicContact CG1-CG1 4.21Å; L138-I177 WeakPolarHBondContact O-CD1 3.29Å; A140-I177 PolarHBondContact O-N 3.3Å; D175-I177 WeakPolarHBondContact OD1-CB 3.29Å; D175-I177 WeakPolarHBondContact OD1-CG2 3.4Å; D175-I177 PolarHBondContact OD1-N 2.81Å; I177-S181 WeakPolarHBondContact O-CA 3.26Å; I177-S181 WeakPolarHBondContact O-CB 3.45Å; I177-S181 PolarHBondContact O-N 3.4Å; I177-S181 PolarHBondContact O-OG 3.05Å
178	S	81.6	Confident	78.9	Confident	66 Å²	66	47.5 Å²	47.5	46%	0.462	27%	0.266	S	S	.	.	H	α-helix	trans	-67.3	-46	177.6	55.2	0	0	0	0	112.3	S176 I180 N182	S176-S178 VanDerWaalsContact C-N 3.27Å; S176-S178 PolarHBondContact O-N 3.29Å; S178-I180 VanDerWaalsContact C-N 3.32Å; S178-I180 PolarHBondContact O-N 3.16Å; S178-N182 WeakPolarHBondContact O-CB 3.14Å; S178-N182 PolarHBondContact O-N 3.08Å; S178-N182 PolarHBondContact O-OD1 2.91Å
179	I	84.9	Confident	80.7	Confident	13 Å²	13	45 Å²	45	7%	0.067	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-41	-178.9	-66.2	173	0	0	0	111.3	S176 K183 V197 L201 I204	S176-I179 PolarHBondContact O-N 3.28Å; S176-I179 VanDerWaalsContact O-N 3.13Å; I179-K183 WeakPolarHBondContact O-CG 3.23Å; I179-V197 HydrophobicContact CD1-CG1 4.06Å; I179-V197 HydrophobicContact CG2-CG1 4.44Å; I179-L201 HydrophobicContact CD1-CD2 3.72Å; I179-L201 HydrophobicContact CD1-CG 3.8Å; I179-I204 HydrophobicContact CD1-CD1 4.48Å; I179-I204 HydrophobicContact CG1-CD1 4.2Å
180	I	87.6	Confident	82.5	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-88	-35.3	-176.9	-57.7	160.7	0	0	0	110.8	V137 A140 S176 S178 N182 K183 C184 V192 V197 L222 L224	V137-I180 HydrophobicContact CG2-CG2 4.08Å; A140-I180 HydrophobicContact CB-CD1 3.66Å; S176-I180 PolarHBondContact O-N 3.07Å; S176-I180 VanDerWaalsContact O-N 3.08Å; S178-I180 VanDerWaalsContact C-N 3.32Å; S178-I180 PolarHBondContact O-N 3.16Å; I180-N182 VanDerWaalsContact C-N 3.33Å; I180-N182 PolarHBondContact O-N 3.12Å; I180-K183 PolarHBondContact O-N 3.29Å; I180-K183 VanDerWaalsContact O-N 3.08Å; I180-C184 HydrophobicContact CG2-CB 4.48Å; I180-C184 WeakPolarHBondContact O-CB 3.38Å; I180-C184 PolarHBondContact O-N 3.19Å; I180-V192 HydrophobicContact CD1-CG1 4.17Å; I180-V192 HydrophobicContact CG1-CG1 4.31Å; I180-V192 HydrophobicContact CG2-CG1 4.1Å; I180-V192 HydrophobicContact CG2-CG2 3.92Å; I180-V197 HydrophobicContact CD1-CG2 3.77Å; I180-V197 HydrophobicContact CG1-CG2 3.96Å; I180-L222 HydrophobicContact CD1-CD1 3.76Å; I180-L222 HydrophobicContact CD1-CD2 3.69Å; I180-L222 HydrophobicContact CD1-CG 4.28Å; I180-L224 HydrophobicContact CD1-CD1 4.23Å; I180-L224 HydrophobicContact CG2-CD1 3.93Å
181	S	86.3	Confident	83.9	Confident	17 Å²	17	42.4 Å²	42.4	12%	0.119	24%	0.235	C	C	.	.	H	α-helix	trans	-54.1	-48.7	170.9	-75.1	0	0	0	0	111.8	I177 K183 C184 N185	I177-S181 WeakPolarHBondContact O-CA 3.26Å; I177-S181 WeakPolarHBondContact O-CB 3.45Å; I177-S181 PolarHBondContact O-N 3.4Å; I177-S181 PolarHBondContact O-OG 3.05Å; S181-K183 PolarHBondContact O-N 3.45Å; S181-K183 VanDerWaalsContact O-N 3.17Å; S181-C184 PolarHBondContact O-N 3.14Å; S181-N185 WeakPolarHBondContact CB-ND2 3.32Å; S181-N185 VanDerWaalsContact O-CB 3.25Å; S181-N185 WeakPolarHBondContact O-CB 3.34Å; S181-N185 PolarHBondContact O-N 3.18Å; S181-N185 PolarHBondContact OG-ND2 2.94Å
182	N	83.2	Confident	85.1	Confident	91 Å²	91	41.7 Å²	41.7	49%	0.487	23%	0.231	S	C	.	.	H	α-helix	trans	-67.7	-16	-178.6	-63.9	5.5	0	0	0	113	S178 I180	S178-N182 WeakPolarHBondContact O-CB 3.14Å; S178-N182 PolarHBondContact O-N 3.08Å; S178-N182 PolarHBondContact O-OD1 2.91Å; I180-N182 VanDerWaalsContact C-N 3.33Å; I180-N182 PolarHBondContact O-N 3.12Å
183	K	86.8	Confident	85.9	Confident	75 Å²	75	40.8 Å²	40.8	33%	0.326	23%	0.225	S	C	.	.	H	α-helix	trans	-98.2	-28.2	175.5	-67.2	-175.1	-174.2	-174.7	0	113.5	I179 I180 S181 Y187 C190 L196 S200	I179-K183 WeakPolarHBondContact O-CG 3.23Å; I180-K183 PolarHBondContact O-N 3.29Å; I180-K183 VanDerWaalsContact O-N 3.08Å; S181-K183 PolarHBondContact O-N 3.45Å; S181-K183 VanDerWaalsContact O-N 3.17Å; K183-Y187 WeakPolarHBondContact O-CD2 3.2Å; K183-Y187 WeakPolarHBondContact O-CE2 3.14Å; K183-C190 PolarHBondContact O-SG 2.68Å; K183-L196 HydrophobicContact CD-CD1 4.43Å; K183-L196 HydrophobicContact CD-CD2 3.99Å; K183-L196 HydrophobicContact CD-CG 4.18Å; K183-L196 VanDerWaalsContact NZ-CD1 3.28Å; K183-S200 PolarHBondContact NZ-OG 3.45Å
184	C	90	Very high	86.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-117.2	-24.5	-169.2	-59.9	0	0	0	0	115.8	V137 I180 S181 G186 Y187 C190 V192	V137-C184 HydrophobicContact CG2-CB 4.16Å; I180-C184 HydrophobicContact CG2-CB 4.48Å; I180-C184 WeakPolarHBondContact O-CB 3.38Å; I180-C184 PolarHBondContact O-N 3.19Å; S181-C184 PolarHBondContact O-N 3.14Å; C184-G186 PolarHBondContact O-N 2.83Å; C184-Y187 PolarHBondContact O-N 2.88Å; C184-Y187 VanDerWaalsContact O-N 3.15Å; C184-C190 WeakPolarHBondContact CA-SG 3.39Å; C184-C190 HydrophobicContact CB-CB 3.47Å; C184-C190 VanDerWaalsContact CB-CB 3.47Å; C184-C190 WeakPolarHBondContact CB-SG 3.44Å; C184-C190 WeakPolarHBondContact SG-CB 3.05Å; C184-C190 CovalentContact SG-SG 2.04Å; C184-C190 PolarHBondContact SG-SG 2.9Å; C184-V192 WeakPolarHBondContact SG-CG2 3.44Å
185	N	86.7	Confident	86.6	Confident	15 Å²	15	40.2 Å²	40.2	8%	0.08	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	130.8	-171.9	-72.9	-8.1	0	0	0	111.8	L135 V137 S181 Y187	L135-N185 WeakPolarHBondContact O-CA 3.24Å; V137-N185 PolarHBondContact N-OD1 2.03Å; S181-N185 WeakPolarHBondContact CB-ND2 3.32Å; S181-N185 VanDerWaalsContact O-CB 3.25Å; S181-N185 WeakPolarHBondContact O-CB 3.34Å; S181-N185 PolarHBondContact O-N 3.18Å; S181-N185 PolarHBondContact OG-ND2 2.94Å; N185-Y187 VanDerWaalsContact C-N 3.26Å; N185-Y187 PolarHBondContact O-N 3.46Å
186	G	83.9	Confident	86.6	Confident	4 Å²	4	38.7 Å²	38.7	4%	0.041	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	15	-176.3	0	0	0	0	0	114.8	L135 C184 R239	L135-G186 PolarHBondContact O-N 2.78Å; C184-G186 PolarHBondContact O-N 2.83Å; G186-R239 PolarHBondContact O-NH2 3.4Å
187	Y	88.8	Confident	86.5	Confident	137 Å²	137	38.7 Å²	38.7	54%	0.537	21%	0.208	S	C	.	.			trans	-97.1	145.8	165.1	-69.8	-94.9	0	0	0	110.2	L135 K183 C184 N185 T189	L135-Y187 WeakPolarHBondContact CB-O 3.4Å; L135-Y187 WeakPolarHBondContact CG-O 3.27Å; L135-Y187 PolarHBondContact N-O 2.83Å; K183-Y187 WeakPolarHBondContact O-CD2 3.2Å; K183-Y187 WeakPolarHBondContact O-CE2 3.14Å; C184-Y187 PolarHBondContact O-N 2.88Å; C184-Y187 VanDerWaalsContact O-N 3.15Å; N185-Y187 VanDerWaalsContact C-N 3.26Å; N185-Y187 PolarHBondContact O-N 3.46Å; Y187-T189 PolarHBondContact O-N 2.04Å
188	L	88.6	Confident	86.2	Confident	41 Å²	41	38 Å²	38	22%	0.215	21%	0.205	C	C	.	.	S	Bend	trans	-66.2	-31	174.8	-179.9	63.2	0	0	0	111.8	C126 K127 S130 M131 M133	C126-L188 HydrophobicContact CB-CD1 4.13Å; C126-L188 PolarHBondContact N-O 3.42Å; K127-L188 HydrophobicContact CG-CD2 4.2Å; K127-L188 HydrophobicContact CG-CG 4.15Å; S130-L188 VanDerWaalsContact O-CD1 3.26Å; S130-L188 WeakPolarHBondContact O-CD1 3.14Å; M131-L188 HydrophobicContact SD-CD2 3.9Å; M133-L188 HydrophobicContact CB-CD1 4.48Å; M133-L188 WeakPolarHBondContact O-CD1 3.17Å
189	T	90	Very high	86.1	Confident	46 Å²	46	40.5 Å²	40.5	28%	0.282	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	145.3	179	52.2	0	0	0	0	111.5	E123 L124 K127 Y187	E123-T189 WeakPolarHBondContact OE1-CG2 3.31Å; L124-T189 CarbonylContact O-C 3.46Å; L124-T189 WeakPolarHBondContact O-CA 3.47Å; K127-T189 HydrophobicContact CD-CG2 3.75Å; K127-T189 HydrophobicContact CG-CG2 3.78Å; Y187-T189 PolarHBondContact O-N 2.04Å
190	C	92.3	Very high	85.8	Confident	13 Å²	13	40.3 Å²	40.3	9%	0.088	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	132.8	179.3	-170.1	0	0	0	0	110.7	L124 L135 K183 C184	L124-C190 HydrophobicContact CB-CB 4.49Å; L124-C190 WeakPolarHBondContact CB-O 3.5Å; L124-C190 PolarHBondContact N-O 3.43Å; L124-C190 PolarHBondContact O-N 3.19Å; L135-C190 HydrophobicContact CD1-CB 3.61Å; K183-C190 PolarHBondContact O-SG 2.68Å; C184-C190 WeakPolarHBondContact CA-SG 3.39Å; C184-C190 HydrophobicContact CB-CB 3.47Å; C184-C190 VanDerWaalsContact CB-CB 3.47Å; C184-C190 WeakPolarHBondContact CB-SG 3.44Å; C184-C190 WeakPolarHBondContact SG-CB 3.05Å; C184-C190 CovalentContact SG-SG 2.04Å; C184-C190 PolarHBondContact SG-SG 2.9Å
191	T	91.4	Very high	85.3	Confident	87 Å²	87	41 Å²	41	53%	0.534	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.9	173.9	43.7	0	0	0	0	110.7	V122 E123	V122-T191 WeakPolarHBondContact O-CA 3.19Å; E123-T191 HydrophobicContact CB-CG2 4.24Å; E123-T191 HydrophobicContact CG-CG2 4.38Å
192	V	90.3	Very high	84.7	Confident	1 Å²	1	44 Å²	44	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.6	-175.2	-175	0	0	0	0	110.5	I116 Y121 V122 L124 I180 C184 L222	I116-V192 HydrophobicContact CD1-CB 4.19Å; I116-V192 HydrophobicContact CD1-CG1 4.19Å; Y121-V192 CarbonylContact C-O 3.57Å; Y121-V192 VanDerWaalsContact CA-O 3.23Å; Y121-V192 WeakPolarHBondContact CA-O 3.37Å; V122-V192 PolarHBondContact N-O 2.87Å; V122-V192 PolarHBondContact O-N 3.4Å; L124-V192 HydrophobicContact CD1-CG2 3.59Å; L124-V192 HydrophobicContact CG-CG2 4.07Å; I180-V192 HydrophobicContact CD1-CG1 4.17Å; I180-V192 HydrophobicContact CG1-CG1 4.31Å; I180-V192 HydrophobicContact CG2-CG1 4.1Å; I180-V192 HydrophobicContact CG2-CG2 3.92Å; C184-V192 WeakPolarHBondContact SG-CG2 3.44Å; V192-L222 HydrophobicContact CG1-CD2 3.49Å; V192-L222 VanDerWaalsContact CG1-CD2 3.49Å
193	S	88.2	Confident	84.3	Confident	24 Å²	24	46.5 Å²	46.5	17%	0.168	24%	0.237	C	C	.	.			trans	-145	158.2	172.3	66.4	0	0	0	0	111	S120 N195 L196	S120-S193 WeakPolarHBondContact O-CB 3.34Å; S193-N195 VanDerWaalsContact C-N 3.3Å; S193-N195 PolarHBondContact O-N 3.09Å; S193-L196 WeakPolarHBondContact O-CB 3.25Å; S193-L196 PolarHBondContact O-N 3.09Å; S193-L196 WeakPolarHBondContact OG-CB 3.48Å; S193-L196 PolarHBondContact OG-N 2.77Å
194	P	85.5	Confident	83.7	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.4	-39.6	173.8	-27.1	38.3	0	0	0	112.8	I116 C117 L142 L196 V197 L198 L222	I116-P194 HydrophobicContact CG2-CG 4.45Å; I116-P194 VanDerWaalsContact O-CG 3.32Å; I116-P194 WeakPolarHBondContact O-CG 3.39Å; C117-P194 WeakPolarHBondContact O-CG 3.39Å; L142-P194 HydrophobicContact CD1-CB 3.79Å; P194-L196 VanDerWaalsContact C-N 3.3Å; P194-L196 PolarHBondContact O-N 2.96Å; P194-V197 WeakPolarHBondContact O-CB 3.19Å; P194-V197 PolarHBondContact O-N 3.02Å; P194-L198 PolarHBondContact O-N 2.87Å; P194-L222 HydrophobicContact CB-CB 4.42Å; P194-L222 HydrophobicContact CG-CB 3.85Å
195	N	82.1	Confident	82.8	Confident	80 Å²	80	52.7 Å²	52.7	43%	0.428	27%	0.272	S	S	.	.	H	α-helix	trans	-60.2	-37	177.4	-71.5	-36.2	0	0	0	112.7	A118 S193 V197 L198 E199	A118-N195 PolarHBondContact O-ND2 3.49Å; A118-N195 VanDerWaalsContact O-ND2 3.08Å; S193-N195 VanDerWaalsContact C-N 3.3Å; S193-N195 PolarHBondContact O-N 3.09Å; N195-V197 VanDerWaalsContact C-N 3.25Å; N195-V197 PolarHBondContact O-N 2.98Å; N195-L198 PolarHBondContact O-N 2.96Å; N195-E199 WeakPolarHBondContact O-CB 3.45Å; N195-E199 PolarHBondContact O-N 3.15Å
196	L	81.5	Confident	81.8	Confident	48 Å²	48	55.4 Å²	55.4	25%	0.251	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-30	175.1	-174.4	68.3	0	0	0	112.5	K183 S193 P194 S200	K183-L196 HydrophobicContact CD-CD1 4.43Å; K183-L196 HydrophobicContact CD-CD2 3.99Å; K183-L196 HydrophobicContact CD-CG 4.18Å; K183-L196 VanDerWaalsContact NZ-CD1 3.28Å; S193-L196 WeakPolarHBondContact O-CB 3.25Å; S193-L196 PolarHBondContact O-N 3.09Å; S193-L196 WeakPolarHBondContact OG-CB 3.48Å; S193-L196 PolarHBondContact OG-N 2.77Å; P194-L196 VanDerWaalsContact C-N 3.3Å; P194-L196 PolarHBondContact O-N 2.96Å; L196-S200 WeakPolarHBondContact O-CB 3.39Å; L196-S200 PolarHBondContact O-N 3.22Å; L196-S200 PolarHBondContact O-OG 2.89Å
197	V	81.9	Confident	81	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-75	-47.4	173.1	-176.5	0	0	0	0	110.1	L142 I179 I180 P194 N195 E199 S200 L201 L222	L142-V197 HydrophobicContact CB-CG1 4.5Å; L142-V197 HydrophobicContact CD2-CB 4.27Å; L142-V197 HydrophobicContact CD2-CG1 3.97Å; I179-V197 HydrophobicContact CD1-CG1 4.06Å; I179-V197 HydrophobicContact CG2-CG1 4.44Å; I180-V197 HydrophobicContact CD1-CG2 3.77Å; I180-V197 HydrophobicContact CG1-CG2 3.96Å; P194-V197 WeakPolarHBondContact O-CB 3.19Å; P194-V197 PolarHBondContact O-N 3.02Å; N195-V197 VanDerWaalsContact C-N 3.25Å; N195-V197 PolarHBondContact O-N 2.98Å; V197-E199 VanDerWaalsContact C-N 3.34Å; V197-E199 PolarHBondContact O-N 3.18Å; V197-S200 WeakPolarHBondContact O-CB 3.37Å; V197-S200 PolarHBondContact O-N 3.18Å; V197-S200 VanDerWaalsContact O-N 3.12Å; V197-L201 HydrophobicContact CG1-CD1 4.04Å; V197-L201 HydrophobicContact CG1-CG 4.44Å; V197-L201 WeakPolarHBondContact O-CG 3.49Å; V197-L201 PolarHBondContact O-N 2.82Å; V197-L222 HydrophobicContact CG2-CD2 4Å
198	L	78.4	Confident	79.9	Confident	34 Å²	34	60.1 Å²	60.1	18%	0.178	31%	0.312	C	S	.	.	H	α-helix	trans	-62.8	-37.3	-178.7	-171.3	62.7	0	0	0	113.2	P194 N195 H202 I212	P194-L198 PolarHBondContact O-N 2.87Å; N195-L198 PolarHBondContact O-N 2.96Å; L198-H202 PolarHBondContact O-N 2.87Å; L198-H202 VanDerWaalsContact O-N 3.12Å; L198-I212 HydrophobicContact CD1-CB 4.28Å; L198-I212 HydrophobicContact CD1-CD1 4.29Å; L198-I212 HydrophobicContact CD1-CG2 3.67Å
199	E	79.6	Confident	78.8	Confident	119 Å²	119	58.2 Å²	58.2	56%	0.556	30%	0.301	S	S	*	.	H	α-helix	trans	-64.4	-45.1	171.4	-177.7	-176.8	-146	0	0	111.6	N195 V197 L201 H202 L203	N195-E199 WeakPolarHBondContact O-CB 3.45Å; N195-E199 PolarHBondContact O-N 3.15Å; V197-E199 VanDerWaalsContact C-N 3.34Å; V197-E199 PolarHBondContact O-N 3.18Å; E199-L201 VanDerWaalsContact C-N 3.31Å; E199-L201 PolarHBondContact O-N 3.4Å; E199-H202 WeakPolarHBondContact O-CA 3.38Å; E199-H202 VanDerWaalsContact O-CB 3.27Å; E199-H202 WeakPolarHBondContact O-CB 3.45Å; E199-H202 PolarHBondContact O-N 3.33Å; E199-L203 HydrophobicContact CG-CD1 4.46Å; E199-L203 PolarHBondContact O-N 3.09Å; E199-L203 VanDerWaalsContact O-N 3.15Å
200	S	79.6	Confident	77.5	Confident	9 Å²	9	59.1 Å²	59.1	6%	0.063	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-37.3	178.2	-53.9	0	0	0	0	111.9	K183 L196 V197 H202 L203 I204	K183-S200 PolarHBondContact NZ-OG 3.45Å; L196-S200 WeakPolarHBondContact O-CB 3.39Å; L196-S200 PolarHBondContact O-N 3.22Å; L196-S200 PolarHBondContact O-OG 2.89Å; V197-S200 WeakPolarHBondContact O-CB 3.37Å; V197-S200 PolarHBondContact O-N 3.18Å; V197-S200 VanDerWaalsContact O-N 3.12Å; S200-H202 VanDerWaalsContact C-N 3.28Å; S200-H202 PolarHBondContact O-N 2.97Å; S200-L203 PolarHBondContact O-N 2.04Å; S200-I204 WeakPolarHBondContact O-CB 3.4Å; S200-I204 VanDerWaalsContact O-CG1 3.3Å; S200-I204 WeakPolarHBondContact O-CG1 3.44Å; S200-I204 PolarHBondContact O-N 3.02Å
201	L	76.4	Confident	76.1	Confident	18 Å²	18	63 Å²	63	9%	0.094	32%	0.323	C	S	.	.	H	α-helix	trans	-62.9	-34	171.3	-71.7	166.2	0	0	0	111.8	L142 I174 I179 V197 E199 N205 I212	L142-L201 HydrophobicContact CD2-CD1 4.48Å; I174-L201 HydrophobicContact CD1-CD1 3.89Å; I174-L201 HydrophobicContact CG2-CD1 4.06Å; I174-L201 HydrophobicContact CG2-CD2 4.22Å; I179-L201 HydrophobicContact CD1-CD2 3.72Å; I179-L201 HydrophobicContact CD1-CG 3.8Å; V197-L201 HydrophobicContact CG1-CD1 4.04Å; V197-L201 HydrophobicContact CG1-CG 4.44Å; V197-L201 WeakPolarHBondContact O-CG 3.49Å; V197-L201 PolarHBondContact O-N 2.82Å; E199-L201 VanDerWaalsContact C-N 3.31Å; E199-L201 PolarHBondContact O-N 3.4Å; L201-N205 CarbonylContact O-C 3.58Å; L201-N205 VanDerWaalsContact O-C 3.25Å; L201-N205 WeakPolarHBondContact O-CA 3.21Å; L201-N205 PolarHBondContact O-N 2.8Å; L201-N205 VanDerWaalsContact O-O 3.06Å; L201-I212 HydrophobicContact CD1-CD1 4.21Å
202	H	74	Confident	74.8	Confident	82 Å²	82	59 Å²	59	38%	0.38	30%	0.298	S	S	.	.	H	α-helix	trans	-66.2	-37.9	175.2	-159.5	51.3	0	0	0	112.8	L198 E199 S200 S209 K213	L198-H202 PolarHBondContact O-N 2.87Å; L198-H202 VanDerWaalsContact O-N 3.12Å; E199-H202 WeakPolarHBondContact O-CA 3.38Å; E199-H202 VanDerWaalsContact O-CB 3.27Å; E199-H202 WeakPolarHBondContact O-CB 3.45Å; E199-H202 PolarHBondContact O-N 3.33Å; S200-H202 VanDerWaalsContact C-N 3.28Å; S200-H202 PolarHBondContact O-N 2.97Å; H202-S209 VanDerWaalsContact CA-CB 3.46Å; H202-S209 WeakPolarHBondContact CA-OG 3.29Å; H202-S209 VanDerWaalsContact CB-OG 3.31Å; H202-S209 WeakPolarHBondContact CB-OG 2.97Å; H202-S209 VanDerWaalsContact ND1-CB 3.35Å; H202-S209 WeakPolarHBondContact ND1-CB 3.38Å; H202-S209 PolarHBondContact ND1-OG 2.89Å; H202-K213 PolarHBondContact CE1-NZ 3.13Å
203	L	74.5	Confident	73.6	Confident	143 Å²	143	64.4 Å²	64.4	75%	0.749	32%	0.321	S	S	*	.	H	α-helix	trans	-71.9	-38.8	175.5	-78.6	150	0	0	0	113.2	E199 S200	E199-L203 HydrophobicContact CG-CD1 4.46Å; E199-L203 PolarHBondContact O-N 3.09Å; E199-L203 VanDerWaalsContact O-N 3.15Å; S200-L203 PolarHBondContact O-N 2.04Å
204	I	73.4	Confident	72.2	Confident	127 Å²	127	70.3 Å²	70.3	65%	0.651	35%	0.346	S	S	*	.	H	α-helix	trans	-84.3	-42.1	-175.9	-64.9	165.6	0	0	0	111.9	I179 S200	I179-I204 HydrophobicContact CD1-CD1 4.48Å; I179-I204 HydrophobicContact CG1-CD1 4.2Å; S200-I204 WeakPolarHBondContact O-CB 3.4Å; S200-I204 VanDerWaalsContact O-CG1 3.3Å; S200-I204 WeakPolarHBondContact O-CG1 3.44Å; S200-I204 PolarHBondContact O-N 3.02Å
205	N	71	Confident	70.8	Confident	77 Å²	77	73.1 Å²	73.1	41%	0.412	36%	0.36	S	S	.	.			trans	-144.2	85.7	-177.7	-172.6	-21.8	0	0	0	110.5	L201 R207 M208 S209	L201-N205 CarbonylContact O-C 3.58Å; L201-N205 VanDerWaalsContact O-C 3.25Å; L201-N205 WeakPolarHBondContact O-CA 3.21Å; L201-N205 PolarHBondContact O-N 2.8Å; L201-N205 VanDerWaalsContact O-O 3.06Å; N205-R207 VanDerWaalsContact C-N 3.25Å; N205-R207 PolarHBondContact O-N 2.93Å; N205-R207 PolarHBondContact OD1-N 3.35Å; N205-M208 HydrophobicContact CB-CB 4.01Å; N205-M208 VanDerWaalsContact CG-CB 3.48Å; N205-M208 PolarHBondContact O-N 3.03Å; N205-M208 PolarHBondContact OD1-N 3.07Å; N205-S209 PolarHBondContact O-N 3.38Å
206	S	67.4	Low	69.6	Low	72 Å²	72	73.6 Å²	73.6	50%	0.503	37%	0.37	S	S	.	.	H	α-helix	trans	-54.6	-38.3	-179.8	58.3	0	0	0	0	113.1	S209 T210	S206-S209 PolarHBondContact O-N 3.19Å; S206-T210 PolarHBondContact O-N 3.49Å; S206-T210 PolarHBondContact O-OG1 3.26Å; S206-T210 VanDerWaalsContact O-OG1 3.1Å
207	R	65.6	Low	68.7	Low	180 Å²	180	71.7 Å²	71.7	68%	0.679	36%	0.36	S	S	*	.	H	α-helix	trans	-62.7	-49.5	176.7	-72.5	-177	175.2	172.9	-1.1	112.2	N205 S209 T210 F211	N205-R207 VanDerWaalsContact C-N 3.25Å; N205-R207 PolarHBondContact O-N 2.93Å; N205-R207 PolarHBondContact OD1-N 3.35Å; R207-S209 VanDerWaalsContact C-N 3.3Å; R207-S209 PolarHBondContact O-N 3.23Å; R207-T210 WeakPolarHBondContact CA-OG1 3.45Å; R207-T210 PolarHBondContact O-N 3.15Å; R207-T210 PolarHBondContact O-OG1 3.33Å; R207-F211 PolarHBondContact O-N 2.95Å
208	M	65.9	Low	67.6	Low	61 Å²	61	76.6 Å²	76.6	30%	0.3	39%	0.39	S	S	.	.	H	α-helix	trans	-62.8	-40	176.9	-170.9	66.1	176.3	0	0	110.9	P172 N205 F211 I212	P172-M208 HydrophobicContact CG-CE 4.29Å; N205-M208 HydrophobicContact CB-CB 4.01Å; N205-M208 VanDerWaalsContact CG-CB 3.48Å; N205-M208 PolarHBondContact O-N 3.03Å; N205-M208 PolarHBondContact OD1-N 3.07Å; M208-F211 WeakPolarHBondContact O-CB 3.17Å; M208-F211 PolarHBondContact O-N 3.33Å; M208-I212 HydrophobicContact CG-CD1 4.07Å; M208-I212 WeakPolarHBondContact O-CD1 3.02Å; M208-I212 VanDerWaalsContact O-CG1 3.25Å; M208-I212 WeakPolarHBondContact O-CG1 3.43Å; M208-I212 PolarHBondContact O-N 3.35Å
209	S	65.2	Low	66.9	Low	0 Å²	0	79.6 Å²	79.6	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-66.3	-37.9	175.7	-177.4	0	0	0	0	113.3	H202 N205 S206 R207 F211 I212 K213	H202-S209 VanDerWaalsContact CA-CB 3.46Å; H202-S209 WeakPolarHBondContact CA-OG 3.29Å; H202-S209 VanDerWaalsContact CB-OG 3.31Å; H202-S209 WeakPolarHBondContact CB-OG 2.97Å; H202-S209 VanDerWaalsContact ND1-CB 3.35Å; H202-S209 WeakPolarHBondContact ND1-CB 3.38Å; H202-S209 PolarHBondContact ND1-OG 2.89Å; N205-S209 PolarHBondContact O-N 3.38Å; S206-S209 PolarHBondContact O-N 3.19Å; R207-S209 VanDerWaalsContact C-N 3.3Å; R207-S209 PolarHBondContact O-N 3.23Å; S209-F211 VanDerWaalsContact C-N 3.31Å; S209-F211 PolarHBondContact O-N 3.5Å; S209-I212 PolarHBondContact O-N 2.92Å; S209-K213 WeakPolarHBondContact O-CB 3.31Å; S209-K213 VanDerWaalsContact O-CG 3.28Å; S209-K213 WeakPolarHBondContact O-CG 3.39Å; S209-K213 PolarHBondContact O-N 2.85Å
210	T	64.4	Low	66.6	Low	65 Å²	65	74.3 Å²	74.3	40%	0.399	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-36.2	170.6	42.5	0	0	0	0	112.3	S206 R207 K213 Q214	S206-T210 PolarHBondContact O-N 3.49Å; S206-T210 PolarHBondContact O-OG1 3.26Å; S206-T210 VanDerWaalsContact O-OG1 3.1Å; R207-T210 WeakPolarHBondContact CA-OG1 3.45Å; R207-T210 PolarHBondContact O-N 3.15Å; R207-T210 PolarHBondContact O-OG1 3.33Å; T210-K213 PolarHBondContact O-N 3.33Å; T210-Q214 WeakPolarHBondContact O-CB 3.45Å; T210-Q214 VanDerWaalsContact O-CG 3.23Å; T210-Q214 WeakPolarHBondContact O-CG 3.37Å; T210-Q214 PolarHBondContact O-N 2.89Å
211	F	63	Low	66.6	Low	95 Å²	95	74.1 Å²	74.1	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-65.2	-45.8	176.7	-170.3	-108.7	0	0	0	111.9	R207 M208 S209 K213 Q214 M215	R207-F211 PolarHBondContact O-N 2.95Å; M208-F211 WeakPolarHBondContact O-CB 3.17Å; M208-F211 PolarHBondContact O-N 3.33Å; S209-F211 VanDerWaalsContact C-N 3.31Å; S209-F211 PolarHBondContact O-N 3.5Å; F211-K213 VanDerWaalsContact C-N 3.32Å; F211-K213 PolarHBondContact O-N 2.93Å; F211-Q214 PolarHBondContact O-N 3.33Å; F211-M215 HydrophobicContact CD1-CE 4.49Å; F211-M215 HydrophobicContact CD1-SD 3.93Å; F211-M215 HydrophobicContact CE1-CE 3.55Å; F211-M215 HydrophobicContact CE1-SD 3.49Å; F211-M215 WeakPolarHBondContact CE1-SD 3.4Å; F211-M215 HydrophobicContact CE2-CE 4.17Å; F211-M215 HydrophobicContact CZ-CE 3.36Å; F211-M215 HydrophobicContact CZ-SD 3.9Å; F211-M215 WeakPolarHBondContact O-CG 3.07Å; F211-M215 PolarHBondContact O-N 3.05Å
212	I	63.7	Low	67.1	Low	3 Å²	3	73.3 Å²	73.3	2%	0.015	37%	0.372	C	S	.	.	H	α-helix	trans	-62.4	-39	175.6	-60.3	156.3	0	0	0	111.2	I174 L198 L201 M208 S209 C217	I174-I212 HydrophobicContact CD1-CD1 3.38Å; I174-I212 HydrophobicContact CD1-CG1 4.04Å; L198-I212 HydrophobicContact CD1-CB 4.28Å; L198-I212 HydrophobicContact CD1-CD1 4.29Å; L198-I212 HydrophobicContact CD1-CG2 3.67Å; L201-I212 HydrophobicContact CD1-CD1 4.21Å; M208-I212 HydrophobicContact CG-CD1 4.07Å; M208-I212 WeakPolarHBondContact O-CD1 3.02Å; M208-I212 VanDerWaalsContact O-CG1 3.25Å; M208-I212 WeakPolarHBondContact O-CG1 3.43Å; M208-I212 PolarHBondContact O-N 3.35Å; S209-I212 PolarHBondContact O-N 2.92Å; I212-C217 HydrophobicContact CG2-CB 3.84Å; I212-C217 PolarHBondContact O-N 3.22Å
213	K	65.3	Low	67.7	Low	115 Å²	115	69.8 Å²	69.8	50%	0.5	36%	0.355	S	S	.	.	H	α-helix	trans	-66.9	-39.4	174	-72.8	172.5	180	179	0	112.3	H202 S209 T210 F211 S216	H202-K213 PolarHBondContact CE1-NZ 3.13Å; S209-K213 WeakPolarHBondContact O-CB 3.31Å; S209-K213 VanDerWaalsContact O-CG 3.28Å; S209-K213 WeakPolarHBondContact O-CG 3.39Å; S209-K213 PolarHBondContact O-N 2.85Å; T210-K213 PolarHBondContact O-N 3.33Å; F211-K213 VanDerWaalsContact C-N 3.32Å; F211-K213 PolarHBondContact O-N 2.93Å; K213-S216 PolarHBondContact O-N 3.41Å
214	Q	57.4	Low	68.3	Low	147 Å²	147	63 Å²	63	69%	0.687	32%	0.32	S	S	*	.	H	α-helix	trans	-68.6	-34.1	177.4	-79.3	170.5	-26.2	0	0	113.1	T210 F211 S216	T210-Q214 WeakPolarHBondContact O-CB 3.45Å; T210-Q214 VanDerWaalsContact O-CG 3.23Å; T210-Q214 WeakPolarHBondContact O-CG 3.37Å; T210-Q214 PolarHBondContact O-N 2.89Å; F211-Q214 PolarHBondContact O-N 3.33Å; Q214-S216 PolarHBondContact O-N 2.89Å
215	M	56.4	Low	68.9	Low	59 Å²	59	61.2 Å²	61.2	29%	0.291	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	2.5	177.5	-74.8	-175.4	147.2	0	0	114.2	F211 C217	F211-M215 HydrophobicContact CD1-CE 4.49Å; F211-M215 HydrophobicContact CD1-SD 3.93Å; F211-M215 HydrophobicContact CE1-CE 3.55Å; F211-M215 HydrophobicContact CE1-SD 3.49Å; F211-M215 WeakPolarHBondContact CE1-SD 3.4Å; F211-M215 HydrophobicContact CE2-CE 4.17Å; F211-M215 HydrophobicContact CZ-CE 3.36Å; F211-M215 HydrophobicContact CZ-SD 3.9Å; F211-M215 WeakPolarHBondContact O-CG 3.07Å; F211-M215 PolarHBondContact O-N 3.05Å; M215-C217 WeakPolarHBondContact CB-SG 3.47Å; M215-C217 PolarHBondContact O-N 2.81Å
216	S	57	Low	69.8	Low	91 Å²	91	57.8 Å²	57.8	64%	0.636	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	31.9	-176.9	-62	0	0	0	0	114	K213 Q214 T218	K213-S216 PolarHBondContact O-N 3.41Å; Q214-S216 PolarHBondContact O-N 2.89Å; S216-T218 PolarHBondContact O-N 2.79Å
217	C	63.2	Low	70.8	Confident	7 Å²	7	54.5 Å²	54.5	5%	0.047	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	38.3	-179	-56.6	0	0	0	0	113.5	C171 I212 M215	C171-C217 HydrophobicContact CB-CB 3.89Å; C171-C217 WeakPolarHBondContact CB-SG 3.31Å; C171-C217 WeakPolarHBondContact SG-CA 3.35Å; C171-C217 WeakPolarHBondContact SG-CB 3.45Å; C171-C217 CovalentContact SG-SG 2.03Å; C171-C217 PolarHBondContact SG-SG 2.94Å; I212-C217 HydrophobicContact CG2-CB 3.84Å; I212-C217 PolarHBondContact O-N 3.22Å; M215-C217 WeakPolarHBondContact CB-SG 3.47Å; M215-C217 PolarHBondContact O-N 2.81Å
218	T	58	Low	71.8	Confident	104 Å²	104	46.3 Å²	46.3	64%	0.638	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-39.5	-173.1	54.4	0	0	0	0	112.4	A118 S216 S220	A118-T218 WeakPolarHBondContact CB-O 3.44Å; S216-T218 PolarHBondContact O-N 2.79Å; T218-S220 PolarHBondContact O-N 3.01Å
219	K	65	Low	72.6	Confident	98 Å²	98	43.8 Å²	43.8	43%	0.426	22%	0.221	S	C	.	.	S	Bend	trans	-79.1	68.3	174.1	-66	-172.4	178.4	-177.5	0	111.1	N165	N165-K219 PolarHBondContact OD1-NZ 3.35Å
220	S	71.9	Confident	73.4	Confident	7 Å²	7	47 Å²	47	5%	0.049	24%	0.236	C	C	.	.			trans	-87.7	159.4	170.3	63.3	0	0	0	0	111.5	A118 N143 H144 T218	A118-S220 WeakPolarHBondContact CA-O 3.34Å; A118-S220 WeakPolarHBondContact CB-O 3.5Å; A118-S220 PolarHBondContact N-O 3.21Å; N143-S220 CarbonylContact O-C 3.25Å; N143-S220 WeakPolarHBondContact O-CA 3.2Å; H144-S220 VanDerWaalsContact CD2-CB 3.47Å; H144-S220 WeakPolarHBondContact CD2-CB 3.31Å; H144-S220 WeakPolarHBondContact NE2-CB 3.47Å; T218-S220 PolarHBondContact O-N 3.01Å
221	Y	80.9	Confident	73.9	Confident	6 Å²	6	46.3 Å²	46.3	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.3	165.5	72.6	-87.4	0	0	0	109.7	V115 I116 N143 N145 L146 I148 L158	V115-Y221 HydrophobicContact CG1-CD2 3.98Å; I116-Y221 CarbonylContact O-C 3.53Å; I116-Y221 WeakPolarHBondContact O-CA 3.46Å; N143-Y221 HydrophobicContact CB-CD1 4.33Å; N143-Y221 HydrophobicContact CB-CE1 3.74Å; N143-Y221 HydrophobicContact CB-CE2 4Å; N143-Y221 PolarHBondContact N-O 2.7Å; N143-Y221 PolarHBondContact O-N 3.21Å; N143-Y221 VanDerWaalsContact O-O 3.1Å; N145-Y221 PolarHBondContact O-OH 2.82Å; L146-Y221 HydrophobicContact CD1-CD1 4.47Å; L146-Y221 HydrophobicContact CD1-CE1 3.98Å; I148-Y221 HydrophobicContact CD1-CE2 3.8Å; L158-Y221 HydrophobicContact CD1-CD2 4.18Å; L158-Y221 HydrophobicContact CD1-CE2 3.8Å
222	L	86.1	Confident	74.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	111.6	179.5	174.7	60.3	0	0	0	108.9	I116 L142 S176 I180 V192 P194 V197	I116-L222 HydrophobicContact CB-CB 4.36Å; I116-L222 HydrophobicContact CD1-CD2 4.39Å; I116-L222 PolarHBondContact N-O 2.86Å; I116-L222 PolarHBondContact O-N 2.92Å; L142-L222 HydrophobicContact CB-CD1 4.39Å; L142-L222 HydrophobicContact CD1-CB 4.14Å; S176-L222 WeakPolarHBondContact OG-CD1 3.47Å; I180-L222 HydrophobicContact CD1-CD1 3.76Å; I180-L222 HydrophobicContact CD1-CD2 3.69Å; I180-L222 HydrophobicContact CD1-CG 4.28Å; V192-L222 HydrophobicContact CG1-CD2 3.49Å; V192-L222 VanDerWaalsContact CG1-CD2 3.49Å; P194-L222 HydrophobicContact CB-CB 4.42Å; P194-L222 HydrophobicContact CG-CB 3.85Å; V197-L222 HydrophobicContact CG2-CD2 4Å
223	Y	86.1	Confident	74.1	Confident	9 Å²	9	52.1 Å²	52.1	4%	0.035	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	134.6	165.7	163.8	-112.8	0	0	0	109.1	Q113 V115 E139 A140 V141 I148 L150	Q113-Y223 HydrophobicContact CB-CE2 4.2Å; Q113-Y223 HydrophobicContact CG-CE2 4.01Å; Q113-Y223 PolarHBondContact NE2-OH 2.87Å; Q113-Y223 VanDerWaalsContact NE2-OH 3.11Å; V115-Y223 HydrophobicContact CG2-CD2 4.29Å; E139-Y223 VanDerWaalsContact CD-CE1 3.44Å; E139-Y223 HydrophobicContact CG-CE1 4.15Å; E139-Y223 VanDerWaalsContact OE2-CE1 3.31Å; E139-Y223 WeakPolarHBondContact OE2-CE1 3.27Å; E139-Y223 PolarHBondContact OE2-OH 2.6Å; A140-Y223 CarbonylContact C-O 3.56Å; A140-Y223 WeakPolarHBondContact CA-O 3.3Å; V141-Y223 PolarHBondContact N-O 2.89Å; V141-Y223 PolarHBondContact O-N 2.82Å; I148-Y223 HydrophobicContact CD1-CD1 3.89Å; I148-Y223 HydrophobicContact CD1-CG 3.8Å; L150-Y223 HydrophobicContact CD2-CD2 3.71Å; L150-Y223 HydrophobicContact CD2-CE2 3.73Å
224	L	88.4	Confident	74	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.7	-176.8	-177	96.4	0	0	0	110.2	Q113 E114 L124 V137 A140 I180 Y226	Q113-L224 CarbonylContact C-O 3.4Å; Q113-L224 WeakPolarHBondContact CA-O 3.48Å; E114-L224 PolarHBondContact N-O 2.7Å; E114-L224 PolarHBondContact O-N 3.23Å; L124-L224 HydrophobicContact CD1-CD2 3.43Å; L124-L224 VanDerWaalsContact CD1-CD2 3.43Å; L124-L224 HydrophobicContact CD2-CD2 3.36Å; L124-L224 HydrophobicContact CG-CD2 4.02Å; V137-L224 HydrophobicContact CG1-CD1 3.87Å; V137-L224 HydrophobicContact CG2-CD1 4.42Å; A140-L224 HydrophobicContact CB-CD1 3.77Å; I180-L224 HydrophobicContact CD1-CD1 4.23Å; I180-L224 HydrophobicContact CG2-CD1 3.93Å; L224-Y226 HydrophobicContact CD2-CD1 3.77Å; L224-Y226 HydrophobicContact CD2-CE1 4.42Å; L224-Y226 HydrophobicContact CD2-CG 4.46Å
225	R	86.2	Confident	73.9	Confident	89 Å²	89	45 Å²	45	34%	0.336	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.6	168.3	-163.5	-179.8	174.1	-174.9	-1.9	109.9	S111 K112 Q113 L138 E139	S111-R225 PolarHBondContact OG-NE 3.27Å; S111-R225 PolarHBondContact OG-NH2 2.93Å; S111-R225 VanDerWaalsContact OG-NH2 3.13Å; K112-R225 WeakPolarHBondContact O-CA 3.3Å; Q113-R225 HydrophobicContact CG-CG 4.15Å; L138-R225 HydrophobicContact CB-CB 4.39Å; L138-R225 HydrophobicContact CB-CG 4.39Å; L138-R225 HydrophobicContact CD1-CG 4.3Å; L138-R225 PolarHBondContact N-O 2.67Å; E139-R225 HydrophobicContact CB-CB 3.65Å; E139-R225 PolarHBondContact N-O 3.49Å; E139-R225 PolarHBondContact O-N 3.1Å
226	Y	88.6	Confident	73.4	Confident	6 Å²	6	47.8 Å²	47.8	2%	0.024	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159.4	-179.1	72.5	-81.7	0	0	0	112.9	S111 K112 E114 L124 L135 I136 L224	S111-Y226 CarbonylContact C-O 3.57Å; S111-Y226 VanDerWaalsContact CA-O 3.24Å; S111-Y226 WeakPolarHBondContact CA-O 3.49Å; K112-Y226 HydrophobicContact CB-CD1 3.98Å; K112-Y226 HydrophobicContact CB-CE1 3.55Å; K112-Y226 HydrophobicContact CB-CE2 4.28Å; K112-Y226 HydrophobicContact CD-CE1 4.15Å; K112-Y226 HydrophobicContact CD-CE2 3.88Å; K112-Y226 VanDerWaalsContact CD-CZ 3.48Å; K112-Y226 WeakPolarHBondContact CD-OH 3.36Å; K112-Y226 PolarHBondContact N-O 2.88Å; K112-Y226 PolarHBondContact O-N 2.83Å; E114-Y226 HydrophobicContact CG-CD1 4.37Å; E114-Y226 HydrophobicContact CG-CE1 3.64Å; E114-Y226 PolarHBondContact OE1-OH 2.86Å; L124-Y226 HydrophobicContact CB-CE2 4.44Å; L124-Y226 HydrophobicContact CD2-CD1 4.05Å; L124-Y226 HydrophobicContact CD2-CE1 3.69Å; L135-Y226 HydrophobicContact CD2-CD2 3.41Å; L135-Y226 VanDerWaalsContact CD2-CD2 3.41Å; L135-Y226 HydrophobicContact CD2-CE2 3.63Å; L135-Y226 HydrophobicContact CD2-CG 4.38Å; I136-Y226 CarbonylContact O-C 3.58Å; I136-Y226 VanDerWaalsContact O-CA 3.31Å; I136-Y226 WeakPolarHBondContact O-CA 3.38Å; L224-Y226 HydrophobicContact CD2-CD1 3.77Å; L224-Y226 HydrophobicContact CD2-CE1 4.42Å; L224-Y226 HydrophobicContact CD2-CG 4.46Å
227	T	87.9	Confident	72.8	Confident	2 Å²	2	47 Å²	47	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	169.6	172.8	-170.3	0	0	0	0	110.8	Y110 I136 L138 V229	Y110-T227 VanDerWaalsContact O-CB 3.29Å; Y110-T227 WeakPolarHBondContact O-CB 3.24Å; Y110-T227 PolarHBondContact O-OG1 2.89Å; I136-T227 HydrophobicContact CB-CG2 4.06Å; I136-T227 PolarHBondContact N-O 3.44Å; I136-T227 PolarHBondContact O-N 3.18Å; L138-T227 HydrophobicContact CD1-CG2 4.11Å; L138-T227 HydrophobicContact CD2-CG2 3.88Å; L138-T227 HydrophobicContact CG-CG2 4.09Å; T227-V229 HydrophobicContact CG2-CG2 4.07Å
228	C	87.4	Confident	72	Confident	9 Å²	9	49.7 Å²	49.7	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.4	-179.8	-71.5	0	0	0	0	109.3	C126 F129 M133	C126-C228 WeakPolarHBondContact CA-SG 3.41Å; C126-C228 HydrophobicContact CB-CB 3.78Å; C126-C228 WeakPolarHBondContact CB-SG 3.46Å; C126-C228 WeakPolarHBondContact SG-CA 3.47Å; C126-C228 WeakPolarHBondContact SG-CB 3.38Å; C126-C228 CovalentContact SG-SG 2.04Å; C126-C228 PolarHBondContact SG-SG 3.39Å; F129-C228 HydrophobicContact CD2-CB 3.62Å; F129-C228 HydrophobicContact CE2-CB 3.78Å; F129-C228 HydrophobicContact CG-CB 4.48Å; M133-C228 HydrophobicContact CE-CB 4Å; M133-C228 VanDerWaalsContact CE-O 3.28Å; M133-C228 WeakPolarHBondContact CE-O 3.18Å
229	V	82.6	Confident	71.1	Confident	8 Å²	8	51.5 Å²	51.5	5%	0.048	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.8	-172.6	172	0	0	0	0	109.7	L107 P108 G134 I136 T227 L233 L234	L107-V229 HydrophobicContact CD2-CG2 4.39Å; P108-V229 HydrophobicContact CG-CG2 4.18Å; G134-V229 PolarHBondContact N-O 2.72Å; G134-V229 PolarHBondContact O-N 3.15Å; I136-V229 HydrophobicContact CD1-CB 3.78Å; I136-V229 HydrophobicContact CD1-CG1 4.08Å; I136-V229 HydrophobicContact CD1-CG2 3.78Å; I136-V229 HydrophobicContact CG1-CB 4.26Å; I136-V229 HydrophobicContact CG1-CG2 4.33Å; T227-V229 HydrophobicContact CG2-CG2 4.07Å; V229-L233 HydrophobicContact CG1-CB 3.75Å; V229-L233 HydrophobicContact CG1-CD1 3.83Å; V229-L233 HydrophobicContact CG1-CG 4.4Å; V229-L234 HydrophobicContact CB-CD1 4.37Å; V229-L234 HydrophobicContact CG1-CD1 4.34Å; V229-L234 HydrophobicContact CG1-CG 4.48Å; V229-L234 WeakPolarHBondContact O-CD1 3.43Å
230	H	81	Confident	69.8	Low	66 Å²	66	50.7 Å²	50.7	31%	0.306	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	136.4	-177.6	-162.3	-102.4	0	0	0	111.3	D132 M133 L232 L233 L234	D132-H230 WeakPolarHBondContact CB-NE2 3.5Å; M133-H230 VanDerWaalsContact SD-CA 3.52Å; M133-H230 HydrophobicContact SD-CB 3.88Å; H230-L232 PolarHBondContact O-N 3.37Å; H230-L233 HydrophobicContact CB-CD1 4.08Å; H230-L233 HydrophobicContact CB-CG 4.31Å; H230-L233 WeakPolarHBondContact O-CB 3.43Å; H230-L233 PolarHBondContact O-N 3.39Å; H230-L234 PolarHBondContact O-N 3.23Å
231	N	74.9	Confident	68.2	Low	51 Å²	51	56.8 Å²	56.8	27%	0.273	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.8	-174.5	-79.5	-50.7	0	0	0	114	D132 M133	D132-N231 VanDerWaalsContact O-CB 3.24Å; D132-N231 WeakPolarHBondContact O-CB 3.4Å; D132-N231 PolarHBondContact O-N 3.1Å; D132-N231 PolarHBondContact O-ND2 3.36Å; M133-N231 VanDerWaalsContact C-ND2 3.3Å; M133-N231 PolarHBondContact O-ND2 3.11Å; M133-N231 VanDerWaalsContact O-ND2 3.15Å
232	L	67.8	Low	66.3	Low	129 Å²	129	60.5 Å²	60.5	68%	0.675	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-28.1	169.6	-65.6	176.3	0	0	0	113.4	H230	H230-L232 PolarHBondContact O-N 3.37Å
233	L	64.2	Low	63.8	Low	91 Å²	91	63.1 Å²	63.1	48%	0.476	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-20.5	177.2	-53.9	169.6	0	0	0	111.4	V229 H230 E235 I839	V229-L233 HydrophobicContact CG1-CB 3.75Å; V229-L233 HydrophobicContact CG1-CD1 3.83Å; V229-L233 HydrophobicContact CG1-CG 4.4Å; H230-L233 HydrophobicContact CB-CD1 4.08Å; H230-L233 HydrophobicContact CB-CG 4.31Å; H230-L233 WeakPolarHBondContact O-CB 3.43Å; H230-L233 PolarHBondContact O-N 3.39Å; L233-E235 PolarHBondContact O-N 2.9Å; L233-I839 WeakPolarHBondContact CD2-O 3.23Å
234	L	62.2	Low	61.4	Low	15 Å²	15	69.8 Å²	69.8	8%	0.079	35%	0.345	C	S	.	.	S	Bend	trans	-79.1	56	175.7	-80.8	140.8	0	0	0	111.7	I136 V229 H230 N236 L238	I136-L234 HydrophobicContact CD1-CD2 3.93Å; I136-L234 HydrophobicContact CD1-CG 4.31Å; I136-L234 HydrophobicContact CG1-CD2 4.01Å; V229-L234 HydrophobicContact CB-CD1 4.37Å; V229-L234 HydrophobicContact CG1-CD1 4.34Å; V229-L234 HydrophobicContact CG1-CG 4.48Å; V229-L234 WeakPolarHBondContact O-CD1 3.43Å; H230-L234 PolarHBondContact O-N 3.23Å; L234-N236 PolarHBondContact O-N 2.91Å; L234-L238 HydrophobicContact CD2-CB 4.39Å; L234-L238 HydrophobicContact CD2-CD1 3.7Å
235	E	55.4	Low	58.9	Low	98 Å²	98	74.9 Å²	74.9	46%	0.458	37%	0.372	S	S	.	.			trans	-68.1	98.9	-178.2	-113.6	-159.2	-154.6	0	0	112.8	L233 T237 N840	L233-E235 PolarHBondContact O-N 2.9Å; E235-T237 VanDerWaalsContact C-N 3.27Å; E235-T237 PolarHBondContact O-N 3.44Å; E235-T237 PolarHBondContact O-OG1 3.37Å; E235-T237 VanDerWaalsContact O-OG1 3.08Å; E235-N840 PolarHBondContact OE1-ND2 3.16Å
236	N	46.6	Very low	56.5	Low	117 Å²	117	73.6 Å²	73.6	63%	0.626	38%	0.376	S	S	*	.	S	Bend	trans	45.9	-43.2	164.5	-77.6	-11.8	0	0	0	120.7	L234 L238 R239 L240	L234-N236 PolarHBondContact O-N 2.91Å; N236-L238 VanDerWaalsContact C-N 3.31Å; N236-L238 PolarHBondContact O-N 2.94Å; N236-R239 CarbonylContact O-C 3.56Å; N236-R239 WeakPolarHBondContact O-CA 3.46Å; N236-R239 PolarHBondContact O-N 3.48Å; N236-L240 PolarHBondContact O-N 2.87Å
237	T	44.4	Very low	53.9	Low	74 Å²	74	77.5 Å²	77.5	45%	0.454	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-60.9	-35.9	-174.8	18.9	0	0	0	0	113.3	E235 R239 L240 K842	E235-T237 VanDerWaalsContact C-N 3.27Å; E235-T237 PolarHBondContact O-N 3.44Å; E235-T237 PolarHBondContact O-OG1 3.37Å; E235-T237 VanDerWaalsContact O-OG1 3.08Å; T237-R239 PolarHBondContact O-N 3.33Å; T237-R239 VanDerWaalsContact O-N 3.07Å; T237-L240 PolarHBondContact O-N 3.28Å; T237-K842 WeakPolarHBondContact OG1-CE 3.23Å; T237-K842 PolarHBondContact OG1-NZ 3.17Å
238	L	45.8	Very low	51.4	Low	65 Å²	65	84.7 Å²	84.7	34%	0.34	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-69	2	172.2	-78.5	165.7	0	0	0	113.9	I136 L234 N236	I136-L238 HydrophobicContact CD1-CD1 4.33Å; L234-L238 HydrophobicContact CD2-CB 4.39Å; L234-L238 HydrophobicContact CD2-CD1 3.7Å; N236-L238 VanDerWaalsContact C-N 3.31Å; N236-L238 PolarHBondContact O-N 2.94Å
239	R	39.6	Very low	48.8	Very low	141 Å²	141	90.5 Å²	90.5	53%	0.532	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-127.9	12.2	169.6	-69.1	-177	174.3	144.7	-2.9	112.7	G186 N236 T237	G186-R239 PolarHBondContact O-NH2 3.4Å; N236-R239 CarbonylContact O-C 3.56Å; N236-R239 WeakPolarHBondContact O-CA 3.46Å; N236-R239 PolarHBondContact O-N 3.48Å; T237-R239 PolarHBondContact O-N 3.33Å; T237-R239 VanDerWaalsContact O-N 3.07Å
240	L	38.5	Very low	46.4	Very low	81 Å²	81	99.8 Å²	99.8	42%	0.424	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-18.4	-171.4	-142	79.8	0	0	0	115	N236 T237 D242 S243	N236-L240 PolarHBondContact O-N 2.87Å; T237-L240 PolarHBondContact O-N 3.28Å; L240-D242 VanDerWaalsContact C-N 3.29Å; L240-S243 PolarHBondContact O-N 3.4Å; L240-S243 PolarHBondContact O-OG 2.68Å
241	E	38	Very low	44.2	Very low	136 Å²	136	103 Å²	103	64%	0.636	51%	0.507	S	S	*	.	S	Bend	trans	-65.4	-38.3	171.5	-61	-150.1	124.6	0	0	111.1	S243 K244 N245	E241-S243 PolarHBondContact O-N 3.05Å; E241-S243 VanDerWaalsContact O-N 3.1Å; E241-K244 PolarHBondContact O-N 2.81Å; E241-K244 VanDerWaalsContact O-N 3.11Å; E241-N245 PolarHBondContact O-N 3.48Å; E241-N245 VanDerWaalsContact O-N 3.17Å
242	D	39.7	Very low	42.4	Very low	83 Å²	83	110 Å²	110	44%	0.444	54%	0.535	S	S	.	.	H	α-helix	trans	-52.3	-31.1	172	-67	-43.9	0	0	0	113.1	L240 S246	L240-D242 VanDerWaalsContact C-N 3.29Å; D242-S246 WeakPolarHBondContact O-CB 3.49Å; D242-S246 PolarHBondContact O-OG 3.43Å
243	S	34.1	Very low	40.8	Very low	56 Å²	56	111.2 Å²	111.2	39%	0.392	54%	0.538	S	S	.	.	H	α-helix	trans	-91.4	-6.6	-176.3	97.2	0	0	0	0	114.4	L240 E241 I247	L240-S243 PolarHBondContact O-N 3.4Å; L240-S243 PolarHBondContact O-OG 2.68Å; E241-S243 PolarHBondContact O-N 3.05Å; E241-S243 VanDerWaalsContact O-N 3.1Å; S243-I247 WeakPolarHBondContact O-CD1 3.49Å
244	K	36.1	Very low	39.1	Very low	148 Å²	148	110.4 Å²	110.4	64%	0.643	54%	0.544	S	S	*	.	H	α-helix	trans	-110.4	-37.5	178.7	-75.3	-170	172.8	-173	0	113.1	E241	E241-K244 PolarHBondContact O-N 2.81Å; E241-K244 VanDerWaalsContact O-N 3.11Å
245	N	36.1	Very low	37.4	Very low	108 Å²	108	119 Å²	119	58%	0.578	58%	0.581	S	S	*	*	H	α-helix	trans	-83.7	-31.4	-179.7	-69.3	-18.2	0	0	0	112.7	E241 I247 L249	E241-N245 PolarHBondContact O-N 3.48Å; E241-N245 VanDerWaalsContact O-N 3.17Å; N245-I247 VanDerWaalsContact C-N 3.33Å; N245-I247 PolarHBondContact O-N 3.23Å; N245-L249 PolarHBondContact O-N 2.7Å
246	S	34.9	Very low	36.2	Very low	61 Å²	61	123.7 Å²	123.7	43%	0.427	60%	0.6	S	S	.	*	H	α-helix	trans	-66.1	-31.5	175.8	65.7	0	0	0	0	113.7	D242 R250	D242-S246 WeakPolarHBondContact O-CB 3.49Å; D242-S246 PolarHBondContact O-OG 3.43Å; S246-R250 WeakPolarHBondContact O-CB 3.34Å; S246-R250 PolarHBondContact O-N 2.83Å; S246-R250 VanDerWaalsContact O-N 3.08Å
247	I	34.9	Very low	35.3	Very low	89 Å²	89	123.7 Å²	123.7	46%	0.456	61%	0.606	S	S	.	*	H	α-helix	trans	-68.1	-51.8	177.4	-61.6	-177.9	0	0	0	109.9	S243 N245 L249 R250 E251	S243-I247 WeakPolarHBondContact O-CD1 3.49Å; N245-I247 VanDerWaalsContact C-N 3.33Å; N245-I247 PolarHBondContact O-N 3.23Å; I247-L249 PolarHBondContact O-N 3.11Å; I247-R250 PolarHBondContact O-N 2.85Å; I247-E251 HydrophobicContact CG2-CG 4.23Å; I247-E251 WeakPolarHBondContact O-CG 3.49Å; I247-E251 PolarHBondContact O-N 3.42Å
248	K	34.8	Very low	34.6	Very low	153 Å²	153	131.7 Å²	131.7	67%	0.665	63%	0.628	S	S	*	*	H	α-helix	trans	-60.5	-29.9	178.9	-75.7	-170.3	172.4	-174.1	0	113.6
249	L	33.9	Very low	34.1	Very low	131 Å²	131	138 Å²	138	69%	0.686	65%	0.653	S	S	*	*	H	α-helix	trans	-75.2	-39.4	173.2	-125	75.5	0	0	0	112.6	N245 I247	N245-L249 PolarHBondContact O-N 2.7Å; I247-L249 PolarHBondContact O-N 3.11Å
250	R	31	Very low	33.7	Very low	203 Å²	203	142.4 Å²	142.4	77%	0.766	67%	0.669	S	S	*	*	H	α-helix	trans	-69.6	-38.2	177.4	-85	-174.2	164.8	-171	-4.1	113.3	S246 I247 K252 Q253 A254	S246-R250 WeakPolarHBondContact O-CB 3.34Å; S246-R250 PolarHBondContact O-N 2.83Å; S246-R250 VanDerWaalsContact O-N 3.08Å; I247-R250 PolarHBondContact O-N 2.85Å; R250-K252 VanDerWaalsContact C-N 3.33Å; R250-K252 PolarHBondContact O-N 2.86Å; R250-Q253 CarbonylContact O-C 3.6Å; R250-Q253 PolarHBondContact O-N 3.22Å; R250-A254 PolarHBondContact O-N 2.81Å
251	E	35.3	Very low	33.3	Very low	133 Å²	133	146.6 Å²	146.6	62%	0.621	69%	0.691	S	S	*	*	H	α-helix	trans	-65.1	-35.6	180	-72.2	179	140.6	0	0	112.3	I247 Q253 A254	I247-E251 HydrophobicContact CG2-CG 4.23Å; I247-E251 WeakPolarHBondContact O-CG 3.49Å; I247-E251 PolarHBondContact O-N 3.42Å; E251-Q253 PolarHBondContact O-N 3.46Å; E251-A254 WeakPolarHBondContact O-CB 3.4Å; E251-A254 PolarHBondContact O-N 2.7Å
252	K	38.4	Very low	33.2	Very low	197 Å²	197	147.3 Å²	147.3	86%	0.857	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-10.5	172.4	-73.4	-168.1	174.9	-172.3	0	114.3	R250	R250-K252 VanDerWaalsContact C-N 3.33Å; R250-K252 PolarHBondContact O-N 2.86Å
253	Q	33.5	Very low	32.7	Very low	156 Å²	156	153.1 Å²	153.1	73%	0.729	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	6	174.2	-67.6	-173.7	-14.8	0	0	113.3	R250 E251 F255	R250-Q253 CarbonylContact O-C 3.6Å; R250-Q253 PolarHBondContact O-N 3.22Å; E251-Q253 PolarHBondContact O-N 3.46Å; Q253-F255 PolarHBondContact O-N 3.23Å
254	A	27.3	Very low	32.4	Very low	74 Å²	74	155.7 Å²	155.7	61%	0.612	74%	0.739	S	S	*	*	S	Bend	trans	-64.3	119.6	172.9	0	0	0	0	0	110.3	R250 E251 K256	R250-A254 PolarHBondContact O-N 2.81Å; E251-A254 WeakPolarHBondContact O-CB 3.4Å; E251-A254 PolarHBondContact O-N 2.7Å; A254-K256 PolarHBondContact O-N 2.84Å
255	F	27.1	Very low	32.2	Very low	196 Å²	196	154.6 Å²	154.6	86%	0.86	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-50	121	-179.5	-93.4	-117	0	0	0	111.6	Q253 P257	Q253-F255 PolarHBondContact O-N 3.23Å; F255-P257 WeakPolarHBondContact O-CD 3.01Å; F255-P257 VanDerWaalsContact O-N 3.17Å
256	K	31	Very low	31.9	Very low	195 Å²	195	153 Å²	153	85%	0.848	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-60.1	116.1	160.1	-77.5	-177	178	176.3	0	107.7	A254 R258	A254-K256 PolarHBondContact O-N 2.84Å; K256-R258 PolarHBondContact O-N 2.95Å
257	P	26.8	Very low	31.7	Very low	118 Å²	118	158.9 Å²	158.9	77%	0.766	79%	0.786	S	S	*	*			trans	-66.7	113.9	175.8	27	-32.6	0	0	0	108.5	F255 K259	F255-P257 WeakPolarHBondContact O-CD 3.01Å; F255-P257 VanDerWaalsContact O-N 3.17Å; P257-K259 PolarHBondContact O-N 2.8Å
258	R	31.1	Very low	31.5	Very low	241 Å²	241	158.1 Å²	158.1	91%	0.909	80%	0.8	S	S	*	*			trans	-58.7	101.9	170.8	-92.2	-177.1	166.3	176.4	-4.1	108.1	K256 R260	K256-R258 PolarHBondContact O-N 2.95Å; R258-R260 PolarHBondContact O-N 3.43Å; R258-R260 VanDerWaalsContact O-N 3.11Å
259	K	34.5	Very low	31.3	Very low	199 Å²	199	162.5 Å²	162.5	87%	0.865	81%	0.813	S	S	*	*			trans	-53.2	118.6	170.4	-77.1	-174.3	174.5	-178.2	0	108	P257 L261	P257-K259 PolarHBondContact O-N 2.8Å; K259-L261 PolarHBondContact O-N 2.04Å
260	R	31.8	Very low	31.3	Very low	232 Å²	232	164.1 Å²	164.1	88%	0.875	82%	0.822	S	S	*	*			trans	-63.6	117.8	175.7	-76.2	-176.8	172.1	180	-3.4	108.8	R258 N262	R258-R260 PolarHBondContact O-N 3.43Å; R258-R260 VanDerWaalsContact O-N 3.11Å; R260-N262 VanDerWaalsContact C-N 3.34Å; R260-N262 PolarHBondContact O-N 2.86Å
261	L	30.2	Very low	31.2	Very low	169 Å²	169	162.3 Å²	162.3	89%	0.885	83%	0.827	S	S	*	*			trans	-75.1	86.3	174.1	-95.6	156.7	0	0	0	109.4	K259 K263	K259-L261 PolarHBondContact O-N 2.04Å; L261-K263 PolarHBondContact O-N 3.08Å
262	N	34.3	Very low	31	Very low	151 Å²	151	165.1 Å²	165.1	81%	0.807	84%	0.84	S	S	*	*			trans	-70.1	92.7	169.2	-74.5	6.3	0	0	0	109.4	R260 S264	R260-N262 VanDerWaalsContact C-N 3.34Å; R260-N262 PolarHBondContact O-N 2.86Å; N262-S264 PolarHBondContact O-N 3.4Å
263	K	29.8	Very low	30.4	Very low	205 Å²	205	165.8 Å²	165.8	89%	0.891	84%	0.843	S	S	*	*			trans	-71.8	116.2	160.2	-88.1	-176.7	172	179.3	0	109	L261	L261-K263 PolarHBondContact O-N 3.08Å
264	S	28.7	Very low	30.2	Very low	111 Å²	111	166.2 Å²	166.2	78%	0.776	85%	0.847	S	S	*	*				170.2	137.8	129	-170.7	0	0	0	0	111.8	N262	N262-S264 PolarHBondContact O-N 3.4Å
265	S	30.5	Very low	30.3	Very low	125 Å²	125	169.4 Å²	169.4	87%	0.874	85%	0.854	S	S	*	*			trans	54.3	131.1	154.6	-156.9	0	0	0	0	120.7
266	G	31.1	Very low	30.4	Very low	74 Å²	74	167.5 Å²	167.5	76%	0.763	85%	0.853	S	S	*	*			trans	149	91	166.7	0	0	0	0	0	113.9
267	N	30.1	Very low	30.2	Very low	184 Å²	184	166.2 Å²	166.2	98%	0.984	85%	0.852	S	S	*	*			trans	-68.8	133.6	170.8	-98.9	-27.6	0	0	0	110.6
268	G	30.9	Very low	30.3	Very low	74 Å²	74	167.5 Å²	167.5	76%	0.763	85%	0.852	S	S	*	*			trans	-177	83.4	177.1	0	0	0	0	0	113.5
269	R	29.2	Very low	30.2	Very low	245 Å²	245	163.2 Å²	163.2	93%	0.925	85%	0.852	S	S	*	*			trans	-69	130.9	164.1	-78.3	177.9	171.3	164.9	-4.1	109
270	N	34.5	Very low	29.7	Very low	164 Å²	164	161 Å²	161	88%	0.877	85%	0.847	S	S	*	*				-166	143.4	127.9	-97.9	-21.3	0	0	0	111.3
271	N	28.2	Very low	29.5	Very low	165 Å²	165	157.9 Å²	157.9	88%	0.882	85%	0.847	S	S	*	*			trans	-86.3	125.3	176.1	-64.1	-31.4	0	0	0	109.4
272	Q	32.7	Very low	29.3	Very low	192 Å²	192	157.3 Å²	157.3	90%	0.897	84%	0.838	S	S	*	*			trans	-145.6	119.6	157.4	-115	164.6	3.7	0	0	110.4
273	K	26.1	Very low	29	Very low	212 Å²	212	157.7 Å²	157.7	92%	0.922	84%	0.84	S	S	*	*			trans	-103.5	109.5	-179.3	176.7	-175.3	-178.3	-175.8	0	106.7
274	M	28.4	Very low	29.1	Very low	164 Å²	164	154.2 Å²	154.2	81%	0.808	83%	0.831	S	S	*	*			trans	-145.7	99.9	-177.3	-147	164.5	-169.9	0	0	112.9
275	N	30.4	Very low	29.1	Very low	141 Å²	141	155.4 Å²	155.4	75%	0.754	83%	0.828	S	S	*	*			trans	49.6	127.7	146.1	-55.1	2.6	0	0	0	121
276	D	27.7	Very low	29.1	Very low	156 Å²	156	156.5 Å²	156.5	83%	0.834	82%	0.824	S	S	*	*			trans	-63.9	149.2	169.3	-50.5	-91.5	0	0	0	113.6
277	M	27.9	Very low	28.8	Very low	168 Å²	168	157.9 Å²	157.9	83%	0.828	82%	0.822	S	S	*	*			trans	-160.3	120.3	145.5	-117.8	180	-68.7	0	0	113
278	N	27.6	Very low	28.7	Very low	146 Å²	146	159.3 Å²	159.3	78%	0.781	82%	0.815	S	S	*	*			trans	45.4	106	148.2	-59.6	-19	0	0	0	120.4
279	V	28.7	Very low	28.5	Very low	150 Å²	150	166.6 Å²	166.6	91%	0.909	82%	0.821	S	S	*	*			trans	-122.1	131.1	135.2	179.5	0	0	0	0	108.3
280	M	24.6	Very low	28.4	Very low	152 Å²	152	160.4 Å²	160.4	75%	0.749	82%	0.815	S	S	*	*			trans	-90.7	127.1	-165.3	-169	-178.5	-167.3	0	0	111.9	F282	M280-F282 HydrophobicContact CE-CE2 3.65Å; M280-F282 HydrophobicContact CE-CZ 3.78Å; M280-F282 HydrophobicContact SD-CE2 4.25Å
281	L	28.5	Very low	28	Very low	168 Å²	168	156.1 Å²	156.1	88%	0.88	81%	0.81	S	S	*	*			trans	-134.9	125	170.1	-94.7	165.4	0	0	0	109.3
282	F	26.5	Very low	27.9	Very low	156 Å²	156	156.5 Å²	156.5	68%	0.684	81%	0.807	S	S	*	*			trans	-76.3	123.4	179.7	-83.6	-100.5	0	0	0	110.9	M280	M280-F282 HydrophobicContact CE-CE2 3.65Å; M280-F282 HydrophobicContact CE-CZ 3.78Å; M280-F282 HydrophobicContact SD-CE2 4.25Å
283	N	26.6	Very low	27.8	Very low	159 Å²	159	155.7 Å²	155.7	85%	0.85	81%	0.806	S	S	*	*			trans	-132.7	98	162.2	-101.7	-10.1	0	0	0	107.3	N285	N283-N285 PolarHBondContact O-N 3.19Å
284	D	31.4	Very low	27.9	Very low	133 Å²	133	152.2 Å²	152.2	71%	0.711	80%	0.798	S	S	*	*			trans	-79.7	104.1	170.2	-74.7	-54.3	0	0	0	109.5
285	N	29.5	Very low	27.8	Very low	135 Å²	135	150.4 Å²	150.4	72%	0.722	80%	0.796	S	S	*	*				36	141.4	129.7	-60.4	-46.3	0	0	0	119.5	N283	N283-N285 PolarHBondContact O-N 3.19Å
286	L	30.4	Very low	27.8	Very low	149 Å²	149	149.4 Å²	149.4	78%	0.78	80%	0.8	S	S	*	*			cis	-146.5	148.4	28.2	-163.4	74	0	0	0	111.4
287	S	25.6	Very low	27.8	Very low	102 Å²	102	148.4 Å²	148.4	71%	0.713	80%	0.8	S	S	*	*			trans	-126.9	147	168.9	57	0	0	0	0	109.8
288	Y	26.8	Very low	27.9	Very low	214 Å²	214	146.1 Å²	146.1	84%	0.839	80%	0.8	S	S	*	*			trans	-166	98.1	157.9	-103.1	-66.6	0	0	0	110.9
289	Y	28.2	Very low	28	Very low	227 Å²	227	148.1 Å²	148.1	89%	0.89	81%	0.805	S	S	*	*				-172.1	132.8	117.1	-112.5	-79.3	0	0	0	108.9
290	S	25.7	Very low	27.9	Very low	115 Å²	115	148.3 Å²	148.3	80%	0.804	80%	0.8	S	S	*	*			trans	-121.6	126.1	177.9	-176.4	0	0	0	0	109.1
291	G	27.4	Very low	28.3	Very low	75 Å²	75	147.4 Å²	147.4	77%	0.773	80%	0.798	S	S	*	*			trans	-116.9	129.5	172.4	0	0	0	0	0	109.4
292	Q	26.2	Very low	28.2	Very low	173 Å²	173	145 Å²	145	81%	0.808	80%	0.795	S	S	*	*			trans	-75.1	135.2	-175.2	-60.4	158.3	-84.6	0	0	111.7
293	I	29.4	Very low	28.6	Very low	174 Å²	174	144.1 Å²	144.1	89%	0.892	80%	0.802	S	S	*	*			trans	-135.9	136	143.2	-61.1	-173.9	0	0	0	107.1
294	D	28.1	Very low	28.8	Very low	139 Å²	139	144 Å²	144	74%	0.743	80%	0.797	S	S	*	*			trans	-81.1	159	-166.3	-80.9	-65.7	0	0	0	115.9
295	V	27.1	Very low	28.9	Very low	127 Å²	127	142.8 Å²	142.8	77%	0.77	80%	0.796	S	S	*	*			trans	-75.1	137	169.5	175	0	0	0	0	110.1	T297	V295-T297 HydrophobicContact CG1-CG2 4.22Å
296	S	30.4	Very low	28.9	Very low	120 Å²	120	145.2 Å²	145.2	84%	0.839	80%	0.8	S	S	*	*			trans	-134.6	112.2	164.6	-77.9	0	0	0	0	110.6
297	T	26.7	Very low	29	Very low	135 Å²	135	143.7 Å²	143.7	83%	0.828	80%	0.799	S	S	*	*			trans	-86.2	130.6	-179.2	49	0	0	0	0	112.1	V295	V295-T297 HydrophobicContact CG1-CG2 4.22Å
298	S	31.7	Very low	29.2	Very low	119 Å²	119	150.6 Å²	150.6	83%	0.832	81%	0.81	S	S	*	*			trans	-136.1	105.2	162.4	59.5	0	0	0	0	110.7
299	Q	28.6	Very low	29.4	Very low	188 Å²	188	146.1 Å²	146.1	88%	0.879	81%	0.809	S	S	*	*			trans	-77.8	147.8	159.9	-62.1	-177.4	5.5	0	0	108.8
300	L	27.4	Very low	29.5	Very low	154 Å²	154	139.1 Å²	139.1	81%	0.806	80%	0.799	S	S	*	*			trans	-161.6	132.3	141.1	-132.5	70.1	0	0	0	113.5
301	N	31.3	Very low	29.5	Very low	134 Å²	134	141.8 Å²	141.8	72%	0.717	80%	0.804	S	S	*	*			trans	50.8	89.6	147.9	-60.5	-4.5	0	0	0	121.5
302	S	27.4	Very low	29.7	Very low	117 Å²	117	145.3 Å²	145.3	82%	0.818	80%	0.804	S	S	*	*				1.4	118.9	120.2	166.4	0	0	0	0	118.1
303	V	34.6	Very low	29.9	Very low	137 Å²	137	139.5 Å²	139.5	83%	0.83	79%	0.785	S	S	*	*			trans	-139.2	119.2	143.2	-179.6	0	0	0	0	108.7
304	E	32	Very low	30.3	Very low	158 Å²	158	137 Å²	137	74%	0.738	77%	0.772	S	S	*	*			trans	-95.3	148.5	163.4	-153.2	-156	130.2	0	0	108.3	K306	E304-K306 PolarHBondContact OE1-N 3.03Å
305	P	31.7	Very low	30.9	Very low	106 Å²	106	136.3 Å²	136.3	69%	0.688	77%	0.768	S	S	*	*				-153.4	153.2	105.3	36.5	-18.8	0	0	0	118
306	K	30.5	Very low	31.5	Very low	186 Å²	186	135.2 Å²	135.2	81%	0.809	76%	0.758	S	S	*	*			trans	85.5	116.6	144.4	-84.4	175.2	177.1	172.4	0	119.1	E304	E304-K306 PolarHBondContact OE1-N 3.03Å
307	P	31.7	Very low	32.1	Very low	117 Å²	117	136.5 Å²	136.5	76%	0.76	75%	0.751	S	S	*	*			trans	-89.2	158.8	173.9	36.7	-35.6	0	0	0	113.2
308	R	30.8	Very low	32.8	Very low	248 Å²	248	135 Å²	135	94%	0.936	74%	0.736	S	S	*	*			trans	-135.6	138.4	151.5	-84.5	-170.8	167.9	169.3	-3.8	110.3
309	S	30.1	Very low	33.4	Very low	119 Å²	119	134.1 Å²	134.1	83%	0.832	72%	0.722	S	S	*	*			trans	-54.9	161.1	-178.3	51.9	0	0	0	0	114.7
310	A	30.1	Very low	34	Very low	81 Å²	81	128.1 Å²	128.1	67%	0.669	70%	0.701	S	S	*	*			cis	-142.2	133	20.1	0	0	0	0	0	114.5
311	D	26.5	Very low	34.9	Very low	170 Å²	170	124.7 Å²	124.7	91%	0.909	69%	0.686	S	S	*	*			trans	-76.3	119.4	157.7	-72.1	-59.5	0	0	0	109.2
312	I	32.3	Very low	35.5	Very low	150 Å²	150	123.6 Å²	123.6	77%	0.769	68%	0.68	S	S	*	*			trans	-96.8	119.7	166.4	-64.9	178.7	0	0	0	107.5	I314	I312-I314 PolarHBondContact O-N 3.27Å
313	A	29.8	Very low	36.1	Very low	50 Å²	50	123.1 Å²	123.1	41%	0.413	67%	0.668	S	S	.	*			trans	-79.3	79.5	-166	0	0	0	0	0	113.3	N315 D316	A313-N315 PolarHBondContact O-N 3.38Å; A313-D316 HydrophobicContact CB-CB 4.37Å; A313-D316 VanDerWaalsContact CB-OD2 3.27Å; A313-D316 WeakPolarHBondContact CB-OD2 3.34Å; A313-D316 PolarHBondContact O-N 3.17Å
314	I	37.2	Very low	36.4	Very low	122 Å²	122	124.2 Å²	124.2	63%	0.626	66%	0.664	S	S	*	*	H	α-helix	trans	-53	-22.2	174.2	-62.1	170.1	0	0	0	112.7	I312 I318	I312-I314 PolarHBondContact O-N 3.27Å; I314-I318 HydrophobicContact CG2-CD1 4.43Å; I314-I318 WeakPolarHBondContact O-CG1 3.46Å
315	N	41.3	Very low	36.5	Very low	125 Å²	125	123.5 Å²	123.5	67%	0.668	67%	0.665	S	S	*	*	H	α-helix	trans	-73.2	-28.4	176.7	-62.9	-59.6	0	0	0	113.9	A313 L319	A313-N315 PolarHBondContact O-N 3.38Å; N315-L319 PolarHBondContact O-N 3.22Å
316	D	38.9	Very low	36.5	Very low	104 Å²	104	122.8 Å²	122.8	56%	0.556	66%	0.662	S	S	*	*	H	α-helix	trans	-83.2	-31.8	-173.6	-66.7	-30.8	0	0	0	112	A313 I318 L319 S320	A313-D316 HydrophobicContact CB-CB 4.37Å; A313-D316 VanDerWaalsContact CB-OD2 3.27Å; A313-D316 WeakPolarHBondContact CB-OD2 3.34Å; A313-D316 PolarHBondContact O-N 3.17Å; D316-I318 VanDerWaalsContact C-N 3.33Å; D316-L319 CarbonylContact O-C 3.57Å; D316-L319 WeakPolarHBondContact O-CB 3.33Å; D316-L319 PolarHBondContact O-N 2.58Å; D316-L319 VanDerWaalsContact O-N 3.09Å; D316-S320 PolarHBondContact O-N 2.68Å
317	E	42.7	Very low	36.7	Very low	147 Å²	147	120.2 Å²	120.2	69%	0.687	66%	0.662	S	S	*	*	H	α-helix	trans	-69.2	-32.1	174.6	-155.5	171.3	-139.3	0	0	111.8	L319 S320 V321	E317-L319 VanDerWaalsContact C-N 3.32Å; E317-S320 PolarHBondContact O-OG 3.17Å; E317-V321 WeakPolarHBondContact O-CG2 2.98Å; E317-V321 PolarHBondContact O-N 2.72Å
318	I	43.2	Very low	36.7	Very low	102 Å²	102	119 Å²	119	52%	0.523	66%	0.656	S	S	.	*	H	α-helix	trans	-70.4	-32.5	169.4	-63.8	171.8	0	0	0	110.6	I314 D316 L322	I314-I318 HydrophobicContact CG2-CD1 4.43Å; I314-I318 WeakPolarHBondContact O-CG1 3.46Å; D316-I318 VanDerWaalsContact C-N 3.33Å; I318-L322 HydrophobicContact CG2-CD1 4.08Å; I318-L322 VanDerWaalsContact O-CD1 3.24Å; I318-L322 WeakPolarHBondContact O-CD1 3.43Å; I318-L322 PolarHBondContact O-N 3.5Å
319	L	43.7	Very low	36.8	Very low	101 Å²	101	113.1 Å²	113.1	53%	0.529	65%	0.65	S	S	.	*	H	α-helix	trans	-78.3	-30.4	-178.7	-146.5	73	0	0	0	113.2	N315 D316 E317 N323	N315-L319 PolarHBondContact O-N 3.22Å; D316-L319 CarbonylContact O-C 3.57Å; D316-L319 WeakPolarHBondContact O-CB 3.33Å; D316-L319 PolarHBondContact O-N 2.58Å; D316-L319 VanDerWaalsContact O-N 3.09Å; E317-L319 VanDerWaalsContact C-N 3.32Å; L319-N323 PolarHBondContact O-N 3.49Å; L319-N323 PolarHBondContact O-ND2 3.29Å; L319-N323 VanDerWaalsContact O-ND2 3.16Å
320	S	40.4	Very low	37.1	Very low	62 Å²	62	116.1 Å²	116.1	43%	0.434	65%	0.648	S	S	.	*	H	α-helix	trans	-67.2	-46.8	171.8	60.5	0	0	0	0	111.3	D316 E317 L322 N323 E324	D316-S320 PolarHBondContact O-N 2.68Å; E317-S320 PolarHBondContact O-OG 3.17Å; S320-L322 VanDerWaalsContact C-N 3.32Å; S320-L322 PolarHBondContact O-N 3.2Å; S320-N323 WeakPolarHBondContact O-CA 3.27Å; S320-N323 PolarHBondContact O-N 3.48Å; S320-E324 PolarHBondContact O-N 2.91Å
321	V	46.8	Very low	37.5	Very low	83 Å²	83	118 Å²	118	50%	0.503	65%	0.651	S	S	.	*	H	α-helix	trans	-61.1	-37.8	177.1	174.3	0	0	0	0	112	E317 N323	E317-V321 WeakPolarHBondContact O-CG2 2.98Å; E317-V321 PolarHBondContact O-N 2.72Å; V321-N323 VanDerWaalsContact C-N 3.32Å; V321-N323 PolarHBondContact O-N 2.97Å
322	L	43.5	Very low	38	Very low	110 Å²	110	119.9 Å²	119.9	58%	0.576	65%	0.651	S	S	*	*	H	α-helix	trans	-70.3	-24.7	173.3	-95.9	83.1	0	0	0	113.8	I318 S320	I318-L322 HydrophobicContact CG2-CD1 4.08Å; I318-L322 VanDerWaalsContact O-CD1 3.24Å; I318-L322 WeakPolarHBondContact O-CD1 3.43Å; I318-L322 PolarHBondContact O-N 3.5Å; S320-L322 VanDerWaalsContact C-N 3.32Å; S320-L322 PolarHBondContact O-N 3.2Å
323	N	39.4	Very low	38.5	Very low	107 Å²	107	115.9 Å²	115.9	57%	0.572	64%	0.637	S	S	*	*	H	α-helix	trans	-83	-33.7	175.9	-77.1	-30.8	0	0	0	112.7	L319 S320 V321 L325 S326	L319-N323 PolarHBondContact O-N 3.49Å; L319-N323 PolarHBondContact O-ND2 3.29Å; L319-N323 VanDerWaalsContact O-ND2 3.16Å; S320-N323 WeakPolarHBondContact O-CA 3.27Å; S320-N323 PolarHBondContact O-N 3.48Å; V321-N323 VanDerWaalsContact C-N 3.32Å; V321-N323 PolarHBondContact O-N 2.97Å; N323-L325 PolarHBondContact O-N 3.35Å; N323-S326 PolarHBondContact O-N 3.34Å; N323-S326 PolarHBondContact O-OG 2.89Å
324	E	41.1	Very low	39.3	Very low	160 Å²	160	119 Å²	119	75%	0.748	65%	0.651	S	S	*	*	H	α-helix	trans	-64.8	-25.5	173.7	-71.2	-160.1	131.5	0	0	112.7	S320 S326	S320-E324 PolarHBondContact O-N 2.91Å; E324-S326 PolarHBondContact O-N 2.99Å
325	L	35.5	Very low	39.8	Very low	144 Å²	144	120.1 Å²	120.1	75%	0.754	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-2.8	172.8	-76.8	163.2	0	0	0	114.3	N323 V327	N323-L325 PolarHBondContact O-N 3.35Å; L325-V327 PolarHBondContact O-N 3.45Å
326	S	30.4	Very low	40.3	Very low	90 Å²	90	119.9 Å²	119.9	63%	0.629	65%	0.651	S	S	*	*			trans	-94.5	41.2	-177.4	80	0	0	0	0	114.8	N323 E324	N323-S326 PolarHBondContact O-N 3.34Å; N323-S326 PolarHBondContact O-OG 2.89Å; E324-S326 PolarHBondContact O-N 2.99Å
327	V	36.1	Very low	40.9	Very low	133 Å²	133	123.6 Å²	123.6	81%	0.806	66%	0.658	S	S	*	*			trans	-73.1	134.9	179.5	-177.9	0	0	0	0	111.9	L325	L325-V327 PolarHBondContact O-N 3.45Å
328	S	31	Very low	41.6	Very low	92 Å²	92	120.8 Å²	120.8	64%	0.643	65%	0.651	S	S	*	*			trans	-69.1	139.5	-164.9	-170	0	0	0	0	115.1	K330	S328-K330 PolarHBondContact O-N 3.2Å
329	P	32.8	Very low	42.4	Very low	124 Å²	124	119.8 Å²	119.8	81%	0.805	65%	0.653	S	S	*	*			trans	-77.9	113.2	-178.5	30.7	-34.8	0	0	0	112.7
330	K	37.3	Very low	43.3	Very low	182 Å²	182	118.2 Å²	118.2	79%	0.791	65%	0.654	S	S	*	*			trans	-128.4	96.5	169.3	-77.6	-171.7	177.4	177.2	0	114.1	S328	S328-K330 PolarHBondContact O-N 3.2Å
331	T	36.9	Very low	44.7	Very low	120 Å²	120	120.2 Å²	120.2	74%	0.736	66%	0.66	S	S	*	*			trans	67.7	128.6	146	66.4	0	0	0	0	120.3
332	K	37.6	Very low	46.1	Very low	209 Å²	209	121 Å²	121	91%	0.909	66%	0.66	S	S	*	*			trans	75.1	132.6	166.7	-52.6	169.4	-174.2	175.8	0	115.2
333	S	42	Very low	47.9	Very low	66 Å²	66	119.3 Å²	119.3	46%	0.462	66%	0.656	S	S	.	*			cis	-133.7	151	-9.7	78.5	0	0	0	0	111.1	H335	S333-H335 PolarHBondContact O-N 3.13Å
334	T	47.3	Very low	49.8	Very low	117 Å²	117	116.5 Å²	116.5	72%	0.718	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-14.3	-174.6	37	0	0	0	0	114.5
335	H	47.8	Very low	51.9	Low	144 Å²	144	112.6 Å²	112.6	67%	0.667	64%	0.635	S	S	*	*	H	α-helix	trans	-69.6	-34.5	-178	-80	-94.6	0	0	0	113.7	S333 Y337 V338 S339	S333-H335 PolarHBondContact O-N 3.13Å; H335-Y337 PolarHBondContact O-N 3.41Å; H335-V338 PolarHBondContact O-N 2.91Å; H335-S339 PolarHBondContact O-N 3.18Å; H335-S339 VanDerWaalsContact O-N 3.12Å; H335-S339 PolarHBondContact O-OG 3.49Å
336	I	52	Low	54.3	Low	121 Å²	121	110.6 Å²	110.6	62%	0.621	63%	0.625	S	S	*	*	H	α-helix	trans	-65.6	-41.2	-173.7	-58.6	177.8	0	0	0	111.3	S339 A340	I336-S339 PolarHBondContact O-N 3.23Å; I336-A340 PolarHBondContact O-N 3.34Å; I336-A340 VanDerWaalsContact O-N 3.09Å
337	Y	50.8	Low	56.9	Low	182 Å²	182	110.3 Å²	110.3	71%	0.714	62%	0.621	S	S	*	*	H	α-helix	trans	-67	-36	177.9	-83.1	-86.1	0	0	0	113	H335 A340 L341	H335-Y337 PolarHBondContact O-N 3.41Å; Y337-A340 PolarHBondContact O-N 3.21Å; Y337-L341 WeakPolarHBondContact O-CB 3.09Å; Y337-L341 WeakPolarHBondContact O-CG 3.46Å; Y337-L341 PolarHBondContact O-N 2.87Å
338	V	57.5	Low	59.3	Low	88 Å²	88	109 Å²	109	53%	0.533	61%	0.609	S	S	.	*	H	α-helix	trans	-66.1	-41.7	175.8	178.7	0	0	0	0	110.7	H335 A340 L341 L342	H335-V338 PolarHBondContact O-N 2.91Å; V338-A340 VanDerWaalsContact C-N 3.33Å; V338-A340 PolarHBondContact O-N 2.73Å; V338-L341 PolarHBondContact O-N 3.49Å; V338-L342 PolarHBondContact O-N 3.12Å
339	S	60.5	Low	62	Low	80 Å²	80	109.9 Å²	109.9	56%	0.559	60%	0.604	S	S	*	*	H	α-helix	trans	-61.7	-37.6	174.8	-60.3	0	0	0	0	113.1	H335 I336 P343	H335-S339 PolarHBondContact O-N 3.18Å; H335-S339 VanDerWaalsContact O-N 3.12Å; H335-S339 PolarHBondContact O-OG 3.49Å; I336-S339 PolarHBondContact O-N 3.23Å; S339-P343 WeakPolarHBondContact O-CD 3.32Å
340	A	63.4	Low	64.7	Low	68 Å²	68	108.2 Å²	108.2	56%	0.562	59%	0.592	S	S	*	*	H	α-helix	trans	-77	-30.1	177.9	0	0	0	0	0	113.7	I336 Y337 V338	I336-A340 PolarHBondContact O-N 3.34Å; I336-A340 VanDerWaalsContact O-N 3.09Å; Y337-A340 PolarHBondContact O-N 3.21Å; V338-A340 VanDerWaalsContact C-N 3.33Å; V338-A340 PolarHBondContact O-N 2.73Å
341	L	69.6	Low	67.1	Low	105 Å²	105	103.2 Å²	103.2	55%	0.55	58%	0.579	S	S	.	*	H	α-helix	trans	-73.4	-32.6	177.4	-86.1	161.8	0	0	0	113.2	Y337 V338 A344 V345	Y337-L341 WeakPolarHBondContact O-CB 3.09Å; Y337-L341 WeakPolarHBondContact O-CG 3.46Å; Y337-L341 PolarHBondContact O-N 2.87Å; V338-L341 PolarHBondContact O-N 3.49Å; L341-A344 PolarHBondContact O-N 2.9Å; L341-A344 VanDerWaalsContact O-N 3.16Å; L341-V345 WeakPolarHBondContact O-CG2 3.39Å; L341-V345 PolarHBondContact O-N 3.42Å
342	L	76.7	Confident	69.5	Low	98 Å²	98	100.8 Å²	100.8	51%	0.513	57%	0.566	S	S	.	*	H	α-helix	trans	-55.8	-49.9	-175.3	-119.4	146.5	0	0	0	113.5	V338 A344 V345 L346	V338-L342 PolarHBondContact O-N 3.12Å; L342-A344 PolarHBondContact O-N 2.97Å; L342-V345 PolarHBondContact O-N 3.44Å; L342-L346 HydrophobicContact CD2-CD1 4.09Å; L342-L346 WeakPolarHBondContact O-CB 3.46Å; L342-L346 VanDerWaalsContact O-CG 3.27Å; L342-L346 WeakPolarHBondContact O-CG 3.38Å; L342-L346 PolarHBondContact O-N 2.93Å
343	P	81.1	Confident	72	Confident	76 Å²	76	96.2 Å²	96.2	49%	0.494	55%	0.551	S	S	.	*	H	α-helix	trans	-62	-39	175.3	-24	34.9	0	0	0	113.5	S339 L346 C347	S339-P343 WeakPolarHBondContact O-CD 3.32Å; P343-L346 PolarHBondContact O-N 2.88Å; P343-C347 WeakPolarHBondContact O-CB 3.34Å; P343-C347 PolarHBondContact O-N 2.96Å; P343-C347 PolarHBondContact O-SG 2.83Å; P343-C347 VanDerWaalsContact O-SG 3.37Å
344	A	79.3	Confident	74.1	Confident	48 Å²	48	99.9 Å²	99.9	40%	0.397	56%	0.559	S	S	.	*	H	α-helix	trans	-66.8	-44.6	179.8	0	0	0	0	0	111.9	L341 L342 C347 I348	L341-A344 PolarHBondContact O-N 2.9Å; L341-A344 VanDerWaalsContact O-N 3.16Å; L342-A344 PolarHBondContact O-N 2.97Å; A344-C347 PolarHBondContact O-N 3.33Å; A344-I348 WeakPolarHBondContact O-CG1 3.41Å; A344-I348 PolarHBondContact O-N 2.88Å
345	V	84.4	Confident	75.9	Confident	78 Å²	78	96.6 Å²	96.6	47%	0.473	54%	0.543	S	S	.	.	H	α-helix	trans	-62.9	-41.6	175.2	173.2	0	0	0	0	110.9	L341 L342 I348 M349	L341-V345 WeakPolarHBondContact O-CG2 3.39Å; L341-V345 PolarHBondContact O-N 3.42Å; L342-V345 PolarHBondContact O-N 3.44Å; V345-I348 PolarHBondContact O-N 3.03Å; V345-M349 HydrophobicContact CG1-CG 4.39Å; V345-M349 WeakPolarHBondContact O-CB 3.44Å; V345-M349 VanDerWaalsContact O-CG 3.3Å; V345-M349 WeakPolarHBondContact O-CG 3.2Å; V345-M349 PolarHBondContact O-N 3.08Å
346	L	86.3	Confident	77.8	Confident	102 Å²	102	95.3 Å²	95.3	53%	0.534	54%	0.539	S	S	.	.	H	α-helix	trans	-62.6	-44.2	175.1	-72.8	169.3	0	0	0	112.1	L342 P343 I348 M349 V350	L342-L346 HydrophobicContact CD2-CD1 4.09Å; L342-L346 WeakPolarHBondContact O-CB 3.46Å; L342-L346 VanDerWaalsContact O-CG 3.27Å; L342-L346 WeakPolarHBondContact O-CG 3.38Å; L342-L346 PolarHBondContact O-N 2.93Å; P343-L346 PolarHBondContact O-N 2.88Å; L346-I348 PolarHBondContact O-N 3.37Å; L346-M349 PolarHBondContact O-N 3.13Å; L346-V350 WeakPolarHBondContact O-CB 3.49Å; L346-V350 WeakPolarHBondContact O-CG2 3.4Å; L346-V350 PolarHBondContact O-N 2.98Å
347	C	85.3	Confident	79.4	Confident	83 Å²	83	92.2 Å²	92.2	56%	0.561	53%	0.531	S	S	*	.	H	α-helix	trans	-60.9	-40.9	175	-75.6	0	0	0	0	112.7	P343 A344 S351	P343-C347 WeakPolarHBondContact O-CB 3.34Å; P343-C347 PolarHBondContact O-N 2.96Å; P343-C347 PolarHBondContact O-SG 2.83Å; P343-C347 VanDerWaalsContact O-SG 3.37Å; A344-C347 PolarHBondContact O-N 3.33Å; C347-S351 VanDerWaalsContact O-CB 3.31Å; C347-S351 WeakPolarHBondContact O-CB 3.38Å; C347-S351 PolarHBondContact O-N 3.06Å; C347-S351 PolarHBondContact O-OG 3.42Å
348	I	85.8	Confident	81	Confident	106 Å²	106	87.2 Å²	87.2	54%	0.544	52%	0.516	S	S	.	.	H	α-helix	trans	-63.9	-47.5	175.1	-68.4	163.6	0	0	0	110.4	A344 V345 L346 V350 S351 C352	A344-I348 WeakPolarHBondContact O-CG1 3.41Å; A344-I348 PolarHBondContact O-N 2.88Å; V345-I348 PolarHBondContact O-N 3.03Å; L346-I348 PolarHBondContact O-N 3.37Å; I348-V350 PolarHBondContact O-N 2.96Å; I348-S351 WeakPolarHBondContact O-CB 3.48Å; I348-S351 PolarHBondContact O-N 3.23Å; I348-C352 PolarHBondContact O-N 3.05Å; I348-C352 PolarHBondContact O-SG 3.27Å; I348-C352 VanDerWaalsContact O-SG 3.35Å
349	M	87.5	Confident	82.3	Confident	110 Å²	110	87.5 Å²	87.5	54%	0.542	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-44.4	179.3	-72.4	-64.3	-70.3	0	0	112.4	V345 L346 S351 C352 I353	V345-M349 HydrophobicContact CG1-CG 4.39Å; V345-M349 WeakPolarHBondContact O-CB 3.44Å; V345-M349 VanDerWaalsContact O-CG 3.3Å; V345-M349 WeakPolarHBondContact O-CG 3.2Å; V345-M349 PolarHBondContact O-N 3.08Å; L346-M349 PolarHBondContact O-N 3.13Å; M349-S351 VanDerWaalsContact C-N 3.34Å; M349-S351 PolarHBondContact O-N 3.21Å; M349-C352 PolarHBondContact O-N 3.08Å; M349-I353 VanDerWaalsContact O-CG1 3.29Å; M349-I353 WeakPolarHBondContact O-CG1 3.3Å; M349-I353 PolarHBondContact O-N 3.37Å
350	V	89	Confident	83.4	Confident	90 Å²	90	86.9 Å²	86.9	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-61.4	-43.2	174.4	171	0	0	0	0	110.9	L346 I348 C352 I353 F354	L346-V350 WeakPolarHBondContact O-CB 3.49Å; L346-V350 WeakPolarHBondContact O-CG2 3.4Å; L346-V350 PolarHBondContact O-N 2.98Å; I348-V350 PolarHBondContact O-N 2.96Å; V350-C352 PolarHBondContact O-N 2.91Å; V350-I353 PolarHBondContact O-N 3.33Å; V350-F354 WeakPolarHBondContact O-CB 3.42Å; V350-F354 PolarHBondContact O-N 2.93Å
351	S	87.5	Confident	84.2	Confident	76 Å²	76	89 Å²	89	53%	0.531	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-41.7	177.1	-59	0	0	0	0	112.3	C347 I348 M349 F354 A355	C347-S351 VanDerWaalsContact O-CB 3.31Å; C347-S351 WeakPolarHBondContact O-CB 3.38Å; C347-S351 PolarHBondContact O-N 3.06Å; C347-S351 PolarHBondContact O-OG 3.42Å; I348-S351 WeakPolarHBondContact O-CB 3.48Å; I348-S351 PolarHBondContact O-N 3.23Å; M349-S351 VanDerWaalsContact C-N 3.34Å; M349-S351 PolarHBondContact O-N 3.21Å; S351-F354 PolarHBondContact O-N 3.33Å; S351-A355 WeakPolarHBondContact O-CB 3.49Å; S351-A355 PolarHBondContact O-N 3.45Å
352	C	87.9	Confident	84.5	Confident	69 Å²	69	91.6 Å²	91.6	47%	0.466	51%	0.51	S	S	.	.	H	α-helix	trans	-64.2	-42.5	174.7	-71.6	0	0	0	0	112.2	I348 M349 V350 A355 M356	I348-C352 PolarHBondContact O-N 3.05Å; I348-C352 PolarHBondContact O-SG 3.27Å; I348-C352 VanDerWaalsContact O-SG 3.35Å; M349-C352 PolarHBondContact O-N 3.08Å; V350-C352 PolarHBondContact O-N 2.91Å; C352-A355 PolarHBondContact O-N 3.01Å; C352-M356 WeakPolarHBondContact O-CB 3.21Å; C352-M356 VanDerWaalsContact O-CG 3.29Å; C352-M356 WeakPolarHBondContact O-CG 3.21Å; C352-M356 PolarHBondContact O-N 3.48Å
353	I	90.1	Very high	84.5	Confident	113 Å²	113	94.4 Å²	94.4	58%	0.579	52%	0.518	S	S	*	.	H	α-helix	trans	-61.4	-44.7	174.9	-69.1	163.8	0	0	0	110.4	M349 V350 M356 A357	M349-I353 VanDerWaalsContact O-CG1 3.29Å; M349-I353 WeakPolarHBondContact O-CG1 3.3Å; M349-I353 PolarHBondContact O-N 3.37Å; V350-I353 PolarHBondContact O-N 3.33Å; I353-M356 PolarHBondContact O-N 3.41Å; I353-A357 WeakPolarHBondContact O-CB 3.47Å; I353-A357 PolarHBondContact O-N 2.92Å
354	F	85.9	Confident	84.2	Confident	143 Å²	143	96.6 Å²	96.6	63%	0.627	52%	0.521	S	S	*	.	H	α-helix	trans	-65.5	-42.1	179.5	-137.9	-91.6	0	0	0	112.2	V350 S351 A357 I358	V350-F354 WeakPolarHBondContact O-CB 3.42Å; V350-F354 PolarHBondContact O-N 2.93Å; S351-F354 PolarHBondContact O-N 3.33Å; F354-A357 PolarHBondContact O-N 3.16Å; F354-I358 HydrophobicContact CD1-CD1 3.86Å; F354-I358 HydrophobicContact CD1-CG1 4.43Å; F354-I358 HydrophobicContact CE1-CD1 4.29Å; F354-I358 WeakPolarHBondContact O-CG1 3.41Å; F354-I358 PolarHBondContact O-N 3.24Å
355	A	86.3	Confident	83.6	Confident	48 Å²	48	98.1 Å²	98.1	40%	0.397	52%	0.523	S	S	.	.	H	α-helix	trans	-61.7	-44.1	174	0	0	0	0	0	111.9	S351 C352 I358 L359	S351-A355 WeakPolarHBondContact O-CB 3.49Å; S351-A355 PolarHBondContact O-N 3.45Å; C352-A355 PolarHBondContact O-N 3.01Å; A355-I358 PolarHBondContact O-N 3.18Å; A355-L359 WeakPolarHBondContact O-CB 3.1Å; A355-L359 VanDerWaalsContact O-CG 3.31Å; A355-L359 WeakPolarHBondContact O-CG 3.38Å; A355-L359 PolarHBondContact O-N 3.19Å
356	M	87.5	Confident	82.6	Confident	117 Å²	117	101.1 Å²	101.1	58%	0.576	53%	0.53	S	S	*	.	H	α-helix	trans	-66.1	-37.6	176.3	-72.2	-62.8	-73.3	0	0	112.3	C352 I353 L359 C360	C352-M356 WeakPolarHBondContact O-CB 3.21Å; C352-M356 VanDerWaalsContact O-CG 3.29Å; C352-M356 WeakPolarHBondContact O-CG 3.21Å; C352-M356 PolarHBondContact O-N 3.48Å; I353-M356 PolarHBondContact O-N 3.41Å; M356-L359 PolarHBondContact O-N 2.81Å; M356-L359 HydrophobicContact SD-CD1 4.16Å; M356-C360 WeakPolarHBondContact O-CB 3.39Å; M356-C360 PolarHBondContact O-N 3.29Å; M356-C360 PolarHBondContact O-SG 3.45Å; M356-C360 VanDerWaalsContact O-SG 3.38Å
357	A	85.7	Confident	81.6	Confident	56 Å²	56	103.9 Å²	103.9	46%	0.463	54%	0.537	S	S	.	.	H	α-helix	trans	-62.2	-44.6	172.9	0	0	0	0	0	111.8	I353 F354 L359 C360 H361	I353-A357 WeakPolarHBondContact O-CB 3.47Å; I353-A357 PolarHBondContact O-N 2.92Å; F354-A357 PolarHBondContact O-N 3.16Å; A357-L359 PolarHBondContact O-N 3.36Å; A357-C360 PolarHBondContact O-N 3.05Å; A357-H361 WeakPolarHBondContact O-CB 3.43Å; A357-H361 PolarHBondContact O-N 3.14Å
358	I	84.8	Confident	80.5	Confident	77 Å²	77	107.1 Å²	107.1	40%	0.395	54%	0.542	S	S	.	.	H	α-helix	trans	-62.3	-42.8	175	-69.8	166.5	0	0	0	111.2	F354 A355 H361 R362	F354-I358 HydrophobicContact CD1-CD1 3.86Å; F354-I358 HydrophobicContact CD1-CG1 4.43Å; F354-I358 HydrophobicContact CE1-CD1 4.29Å; F354-I358 WeakPolarHBondContact O-CG1 3.41Å; F354-I358 PolarHBondContact O-N 3.24Å; A355-I358 PolarHBondContact O-N 3.18Å; I358-H361 PolarHBondContact O-N 3.06Å; I358-R362 HydrophobicContact CG2-CG 4.5Å; I358-R362 WeakPolarHBondContact O-CB 3.47Å; I358-R362 VanDerWaalsContact O-CG 3.31Å; I358-R362 WeakPolarHBondContact O-CG 3.43Å; I358-R362 PolarHBondContact O-N 3.16Å
359	L	83.3	Confident	78.9	Confident	95 Å²	95	109.1 Å²	109.1	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-65.4	-40.1	176.9	-72.6	170.2	0	0	0	112.2	A355 M356 A357 K363	A355-L359 WeakPolarHBondContact O-CB 3.1Å; A355-L359 VanDerWaalsContact O-CG 3.31Å; A355-L359 WeakPolarHBondContact O-CG 3.38Å; A355-L359 PolarHBondContact O-N 3.19Å; M356-L359 PolarHBondContact O-N 2.81Å; M356-L359 HydrophobicContact SD-CD1 4.16Å; A357-L359 PolarHBondContact O-N 3.36Å; L359-K363 WeakPolarHBondContact O-CB 3.46Å; L359-K363 WeakPolarHBondContact O-CG 3.31Å; L359-K363 PolarHBondContact O-N 3.17Å
360	C	84.1	Confident	77.3	Confident	67 Å²	67	109.7 Å²	109.7	45%	0.453	55%	0.551	S	S	.	*	H	α-helix	trans	-65.8	-44.6	174	-77.4	0	0	0	0	111.9	M356 A357 K363 Q364	M356-C360 WeakPolarHBondContact O-CB 3.39Å; M356-C360 PolarHBondContact O-N 3.29Å; M356-C360 PolarHBondContact O-SG 3.45Å; M356-C360 VanDerWaalsContact O-SG 3.38Å; A357-C360 PolarHBondContact O-N 3.05Å; C360-K363 PolarHBondContact O-N 2.04Å; C360-Q364 WeakPolarHBondContact O-CG 3.39Å; C360-Q364 PolarHBondContact O-N 3.19Å
361	H	81	Confident	75.3	Confident	112 Å²	112	113 Å²	113	52%	0.519	56%	0.558	S	S	.	*	H	α-helix	trans	-63.1	-44	176.3	-171	-121.5	0	0	0	111.4	A357 I358 K363 Q364 L365	A357-H361 WeakPolarHBondContact O-CB 3.43Å; A357-H361 PolarHBondContact O-N 3.14Å; I358-H361 PolarHBondContact O-N 3.06Å; H361-K363 PolarHBondContact O-N 2.81Å; H361-Q364 PolarHBondContact O-N 2.84Å; H361-L365 WeakPolarHBondContact O-CG 3.25Å; H361-L365 PolarHBondContact O-N 2.91Å
362	R	75.7	Confident	73.4	Confident	160 Å²	160	112.8 Å²	112.8	60%	0.604	56%	0.557	S	S	*	*	H	α-helix	trans	-58.5	-46.6	171.7	-74.9	178.2	177.3	-166.6	-0.3	111.6	I358 Q364 L365 F366	I358-R362 HydrophobicContact CG2-CG 4.5Å; I358-R362 WeakPolarHBondContact O-CB 3.47Å; I358-R362 VanDerWaalsContact O-CG 3.31Å; I358-R362 WeakPolarHBondContact O-CG 3.43Å; I358-R362 PolarHBondContact O-N 3.16Å; R362-Q364 VanDerWaalsContact C-N 3.34Å; R362-Q364 PolarHBondContact O-N 3.44Å; R362-L365 PolarHBondContact O-N 3.22Å; R362-F366 VanDerWaalsContact O-CD2 3.3Å; R362-F366 WeakPolarHBondContact O-CD2 3.46Å; R362-F366 PolarHBondContact O-N 2.89Å
363	K	76.6	Confident	71.4	Confident	156 Å²	156	114.1 Å²	114.1	68%	0.678	56%	0.56	S	S	*	*	H	α-helix	trans	-61	-38	175.4	-81.9	-177.4	175.5	178.5	0	113	L359 C360 H361 K367	L359-K363 WeakPolarHBondContact O-CB 3.46Å; L359-K363 WeakPolarHBondContact O-CG 3.31Å; L359-K363 PolarHBondContact O-N 3.17Å; C360-K363 PolarHBondContact O-N 2.04Å; H361-K363 PolarHBondContact O-N 2.81Å; K363-K367 PolarHBondContact O-N 3.01Å
364	Q	74.2	Confident	68.9	Low	122 Å²	122	117 Å²	117	57%	0.57	56%	0.564	S	S	*	*	H	α-helix	trans	-68.2	-43	174.6	-73.2	-170.3	8.6	0	0	112.2	C360 H361 R362 F366 K367 K368	C360-Q364 WeakPolarHBondContact O-CG 3.39Å; C360-Q364 PolarHBondContact O-N 3.19Å; H361-Q364 PolarHBondContact O-N 2.84Å; R362-Q364 VanDerWaalsContact C-N 3.34Å; R362-Q364 PolarHBondContact O-N 3.44Å; Q364-F366 PolarHBondContact O-N 3.09Å; Q364-K367 PolarHBondContact O-N 3.03Å; Q364-K368 PolarHBondContact O-N 3.16Å
365	L	66.7	Low	66.9	Low	81 Å²	81	114.9 Å²	114.9	42%	0.424	56%	0.559	S	S	.	*	H	α-helix	trans	-61.5	-41.5	174.3	-72.6	173.4	0	0	0	111.8	H361 R362 K368 K369	H361-L365 WeakPolarHBondContact O-CG 3.25Å; H361-L365 PolarHBondContact O-N 2.91Å; R362-L365 PolarHBondContact O-N 3.22Å; L365-K368 PolarHBondContact O-N 3.24Å; L365-K369 WeakPolarHBondContact O-CB 3.4Å; L365-K369 PolarHBondContact O-N 3.38Å
366	F	63.9	Low	64.6	Low	141 Å²	141	115 Å²	115	62%	0.618	56%	0.556	S	S	*	*	H	α-helix	trans	-62.7	-43.2	172.7	-88.8	-71.8	0	0	0	112.2	R362 Q364 K368 K369 L370	R362-F366 VanDerWaalsContact O-CD2 3.3Å; R362-F366 WeakPolarHBondContact O-CD2 3.46Å; R362-F366 PolarHBondContact O-N 2.89Å; Q364-F366 PolarHBondContact O-N 3.09Å; F366-K368 PolarHBondContact O-N 3.24Å; F366-K369 PolarHBondContact O-N 3.25Å; F366-L370 WeakPolarHBondContact O-CB 3.46Å; F366-L370 WeakPolarHBondContact O-CG 3.46Å; F366-L370 PolarHBondContact O-N 3.42Å
367	K	65.1	Low	62.2	Low	160 Å²	160	118.8 Å²	118.8	70%	0.696	56%	0.564	S	S	*	*	H	α-helix	trans	-62.7	-38.9	173.7	-79.8	-170	174.4	-172.8	0	112.7	K363 Q364 K371	K363-K367 PolarHBondContact O-N 3.01Å; Q364-K367 PolarHBondContact O-N 3.03Å; K367-K371 PolarHBondContact O-N 3.34Å; K367-K371 VanDerWaalsContact O-N 3.08Å
368	K	61.8	Low	60.2	Low	151 Å²	151	121.3 Å²	121.3	66%	0.657	57%	0.569	S	S	*	*	H	α-helix	trans	-66.3	-47.1	174.7	-76.2	-174.2	175.9	-176.8	0	111.6	Q364 L365 F366 L370 K371 S372	Q364-K368 PolarHBondContact O-N 3.16Å; L365-K368 PolarHBondContact O-N 3.24Å; F366-K368 PolarHBondContact O-N 3.24Å; K368-L370 PolarHBondContact O-N 3.35Å; K368-K371 PolarHBondContact O-N 2.65Å; K368-S372 WeakPolarHBondContact O-CB 3.49Å; K368-S372 PolarHBondContact O-N 3.4Å
369	K	51.3	Low	58	Low	147 Å²	147	124 Å²	124	64%	0.639	58%	0.583	S	S	*	*	H	α-helix	trans	-63.2	-37.8	175.7	-76.3	-164.2	171.8	-166	0	112.7	L365 F366 S372 N373	L365-K369 WeakPolarHBondContact O-CB 3.4Å; L365-K369 PolarHBondContact O-N 3.38Å; F366-K369 PolarHBondContact O-N 3.25Å; K369-S372 PolarHBondContact O-N 3.31Å; K369-N373 WeakPolarHBondContact O-CB 3.27Å; K369-N373 PolarHBondContact O-N 2.76Å; K369-N373 PolarHBondContact O-OD1 3.29Å
370	L	54.2	Low	55.9	Low	122 Å²	122	126.7 Å²	126.7	64%	0.639	59%	0.593	S	S	*	*	H	α-helix	trans	-62.5	-46.9	173.4	-83.2	162.8	0	0	0	112	F366 K368 S372 N373 Y374	F366-L370 WeakPolarHBondContact O-CB 3.46Å; F366-L370 WeakPolarHBondContact O-CG 3.46Å; F366-L370 PolarHBondContact O-N 3.42Å; K368-L370 PolarHBondContact O-N 3.35Å; L370-S372 PolarHBondContact O-N 3.04Å; L370-N373 PolarHBondContact O-N 2.98Å; L370-Y374 WeakPolarHBondContact O-CB 3Å; L370-Y374 PolarHBondContact O-N 3.18Å
371	K	48.2	Very low	53.2	Low	159 Å²	159	126.6 Å²	126.6	69%	0.691	59%	0.588	S	S	*	*	H	α-helix	trans	-61.3	-43.5	173.4	-78.1	-164	170.7	-163.6	0	112.1	K367 K368 N373 Y374 I375	K367-K371 PolarHBondContact O-N 3.34Å; K367-K371 VanDerWaalsContact O-N 3.08Å; K368-K371 PolarHBondContact O-N 2.65Å; K371-N373 PolarHBondContact O-N 2.87Å; K371-Y374 PolarHBondContact O-N 3.42Å; K371-I375 WeakPolarHBondContact O-CG1 3.49Å; K371-I375 PolarHBondContact O-N 3.12Å
372	S	46.7	Very low	50.8	Low	72 Å²	72	125.7 Å²	125.7	50%	0.503	59%	0.592	S	S	.	*	H	α-helix	trans	-60.9	-44.6	178.1	-160.6	0	0	0	0	112.1	K368 K369 L370 Y374 S376	K368-S372 WeakPolarHBondContact O-CB 3.49Å; K368-S372 PolarHBondContact O-N 3.4Å; K369-S372 PolarHBondContact O-N 3.31Å; L370-S372 PolarHBondContact O-N 3.04Å; S372-Y374 VanDerWaalsContact C-N 3.35Å; S372-S376 WeakPolarHBondContact O-CB 3.33Å; S372-S376 PolarHBondContact O-N 3.19Å
373	N	45.3	Very low	48.8	Very low	98 Å²	98	122.9 Å²	122.9	52%	0.524	59%	0.593	S	S	.	*	H	α-helix	trans	-72.6	-27.1	178.7	-74.2	15.9	0	0	0	112.6	K369 L370 K371 R377	K369-N373 WeakPolarHBondContact O-CB 3.27Å; K369-N373 PolarHBondContact O-N 2.76Å; K369-N373 PolarHBondContact O-OD1 3.29Å; L370-N373 PolarHBondContact O-N 2.98Å; K371-N373 PolarHBondContact O-N 2.87Å; N373-R377 WeakPolarHBondContact O-CB 3.04Å; N373-R377 VanDerWaalsContact O-CG 3.28Å; N373-R377 WeakPolarHBondContact O-CG 3.49Å; N373-R377 PolarHBondContact O-N 3.02Å
374	Y	38.2	Very low	46.5	Very low	172 Å²	172	121.1 Å²	121.1	68%	0.675	58%	0.582	S	S	*	*	H	α-helix	trans	-72.8	-45.3	173.8	-153.2	-99.4	0	0	0	111.1	L370 K371 S372 R377 I378	L370-Y374 WeakPolarHBondContact O-CB 3Å; L370-Y374 PolarHBondContact O-N 3.18Å; K371-Y374 PolarHBondContact O-N 3.42Å; S372-Y374 VanDerWaalsContact C-N 3.35Å; Y374-R377 PolarHBondContact O-N 3.43Å; Y374-I378 HydrophobicContact CD1-CD1 3.72Å; Y374-I378 HydrophobicContact CE1-CD1 3.83Å; Y374-I378 WeakPolarHBondContact O-CG1 3.48Å; Y374-I378 PolarHBondContact O-N 3.23Å; Y374-I378 VanDerWaalsContact O-N 3.09Å
375	I	43.6	Very low	44.4	Very low	100 Å²	100	120.9 Å²	120.9	51%	0.513	59%	0.593	S	S	.	*	H	α-helix	trans	-64.5	-43.4	174.6	-65.9	166.6	0	0	0	110.6	K371 R377 I378 L379	K371-I375 WeakPolarHBondContact O-CG1 3.49Å; K371-I375 PolarHBondContact O-N 3.12Å; I375-R377 PolarHBondContact O-N 3.28Å; I375-I378 PolarHBondContact O-N 3.18Å; I375-I378 VanDerWaalsContact O-N 3.09Å; I375-L379 HydrophobicContact CG2-CD1 3.99Å; I375-L379 WeakPolarHBondContact O-CD1 3.4Å; I375-L379 PolarHBondContact O-N 3.2Å
376	S	39.6	Very low	42.6	Very low	49 Å²	49	122.7 Å²	122.7	34%	0.343	60%	0.603	S	S	.	*	H	α-helix	trans	-58.5	-44	173.9	171.8	0	0	0	0	112.1	S372 I378 L379 H380	S372-S376 WeakPolarHBondContact O-CB 3.33Å; S372-S376 PolarHBondContact O-N 3.19Å; S376-I378 VanDerWaalsContact C-N 3.25Å; S376-I378 PolarHBondContact O-N 3.26Å; S376-L379 PolarHBondContact O-N 3.09Å; S376-H380 WeakPolarHBondContact O-CB 3.44Å; S376-H380 PolarHBondContact O-CD2 3.36Å; S376-H380 VanDerWaalsContact O-CD2 3.25Å; S376-H380 PolarHBondContact O-N 3.44Å; S376-H380 PolarHBondContact OG-CD2 2.97Å
377	R	37.1	Very low	41	Very low	197 Å²	197	124.3 Å²	124.3	74%	0.743	61%	0.613	S	S	*	*	H	α-helix	trans	-69.2	-18.4	175.1	-77.9	178.6	175.1	-169.7	-3.1	114.6	N373 Y374 I375	N373-R377 WeakPolarHBondContact O-CB 3.04Å; N373-R377 VanDerWaalsContact O-CG 3.28Å; N373-R377 WeakPolarHBondContact O-CG 3.49Å; N373-R377 PolarHBondContact O-N 3.02Å; Y374-R377 PolarHBondContact O-N 3.43Å; I375-R377 PolarHBondContact O-N 3.28Å
378	I	42	Very low	39.4	Very low	109 Å²	109	124.9 Å²	124.9	56%	0.559	62%	0.618	S	S	*	*	H	α-helix	trans	-84.1	-39.7	172.4	-69.2	165.2	0	0	0	110.5	Y374 I375 S376	Y374-I378 HydrophobicContact CD1-CD1 3.72Å; Y374-I378 HydrophobicContact CE1-CD1 3.83Å; Y374-I378 WeakPolarHBondContact O-CG1 3.48Å; Y374-I378 PolarHBondContact O-N 3.23Å; Y374-I378 VanDerWaalsContact O-N 3.09Å; I375-I378 PolarHBondContact O-N 3.18Å; I375-I378 VanDerWaalsContact O-N 3.09Å; S376-I378 VanDerWaalsContact C-N 3.25Å; S376-I378 PolarHBondContact O-N 3.26Å
379	L	40.1	Very low	37.8	Very low	135 Å²	135	121.5 Å²	121.5	71%	0.707	61%	0.613	S	S	*	*	H	α-helix	trans	-78.3	-28.2	178.4	-90.7	73.1	0	0	0	114.1	I375 S376	I375-L379 HydrophobicContact CG2-CD1 3.99Å; I375-L379 WeakPolarHBondContact O-CD1 3.4Å; I375-L379 PolarHBondContact O-N 3.2Å; S376-L379 PolarHBondContact O-N 3.09Å
380	H	37.5	Very low	36.7	Very low	151 Å²	151	120.7 Å²	120.7	70%	0.699	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	24	179.6	-66.6	-76.5	0	0	0	113.8	S376 P382	S376-H380 WeakPolarHBondContact O-CB 3.44Å; S376-H380 PolarHBondContact O-CD2 3.36Å; S376-H380 VanDerWaalsContact O-CD2 3.25Å; S376-H380 PolarHBondContact O-N 3.44Å; S376-H380 PolarHBondContact OG-CD2 2.97Å; H380-P382 VanDerWaalsContact O-CD 3.3Å; H380-P382 WeakPolarHBondContact O-CD 3.28Å
381	N	28.2	Very low	35.4	Very low	65 Å²	65	124.3 Å²	124.3	35%	0.348	63%	0.627	S	S	.	*			trans	-106.6	93.7	167.7	-168.7	13.3	0	0	0	109.2	T383 N550	N381-T383 PolarHBondContact O-N 3.21Å; N381-N550 PolarHBondContact OD1-ND2 3.06Å
382	P	31.5	Very low	34.3	Very low	93 Å²	93	124.6 Å²	124.6	60%	0.604	64%	0.636	S	S	*	*			trans	-72.8	82	175.9	31.3	-34.8	0	0	0	109.9	H380 Y384 Q548	H380-P382 VanDerWaalsContact O-CD 3.3Å; H380-P382 WeakPolarHBondContact O-CD 3.28Å; P382-Y384 VanDerWaalsContact C-N 3.35Å; P382-Y384 PolarHBondContact O-N 3.36Å; P382-Q548 PolarHBondContact O-NE2 3.37Å
383	T	32.2	Very low	33.6	Very low	100 Å²	100	126.6 Å²	126.6	61%	0.613	65%	0.645	S	S	*	*			trans	-61.9	99.9	157.7	46.3	0	0	0	0	107.6	N381 C385	N381-T383 PolarHBondContact O-N 3.21Å; T383-C385 PolarHBondContact O-N 3.12Å
384	Y	29.5	Very low	32.7	Very low	119 Å²	119	128.1 Å²	128.1	47%	0.467	66%	0.658	S	S	.	*			trans	-53.7	123.7	172.5	-83.9	-141.2	0	0	0	109.2	P382 D386 S546 Q548	P382-Y384 VanDerWaalsContact C-N 3.35Å; P382-Y384 PolarHBondContact O-N 3.36Å; Y384-D386 HydrophobicContact CD1-CB 4.27Å; Y384-D386 WeakPolarHBondContact CD1-OD2 3.31Å; Y384-D386 PolarHBondContact O-N 3.29Å; Y384-S546 PolarHBondContact OH-OG 3.15Å; Y384-S546 VanDerWaalsContact OH-OG 3.09Å; Y384-Q548 HydrophobicContact CD2-CG 4.24Å; Y384-Q548 HydrophobicContact CE2-CG 4.43Å; Y384-Q548 HydrophobicContact CG-CG 4.41Å
385	C	28.7	Very low	32.4	Very low	117 Å²	117	127.2 Å²	127.2	79%	0.791	66%	0.663	S	S	*	*			trans	-90.2	45	163.8	-67.9	0	0	0	0	110.5	T383 Q387	T383-C385 PolarHBondContact O-N 3.12Å; C385-Q387 PolarHBondContact O-N 3.03Å
386	D	29.6	Very low	31.7	Very low	120 Å²	120	129.5 Å²	129.5	64%	0.642	68%	0.677	S	S	*	*			trans	-79.6	70.9	173.1	-93.7	-28.4	0	0	0	110.4	Y384	Y384-D386 HydrophobicContact CD1-CB 4.27Å; Y384-D386 WeakPolarHBondContact CD1-OD2 3.31Å; Y384-D386 PolarHBondContact O-N 3.29Å
387	Q	30.5	Very low	31.4	Very low	174 Å²	174	134 Å²	134	81%	0.813	70%	0.697	S	S	*	*			trans	-123.3	52.9	161.2	-73.7	-163.9	-17.5	0	0	110.5	C385 S389	C385-Q387 PolarHBondContact O-N 3.03Å; Q387-S389 PolarHBondContact O-N 3.49Å
388	H	31	Very low	31.2	Very low	173 Å²	173	131.1 Å²	131.1	80%	0.801	70%	0.696	S	S	*	*			trans	-74.6	57.1	159.4	-85.2	-68.1	0	0	0	111.2	T390	H388-T390 PolarHBondContact O-N 3.07Å
389	S	29.9	Very low	30.9	Very low	80 Å²	80	131.9 Å²	131.9	56%	0.559	70%	0.701	S	S	*	*			trans	-78.4	100.4	163.5	43.5	0	0	0	0	108.8	Q387 Y391	Q387-S389 PolarHBondContact O-N 3.49Å; S389-Y391 PolarHBondContact O-N 3.14Å
390	T	27	Very low	30.6	Very low	130 Å²	130	134.1 Å²	134.1	80%	0.798	71%	0.708	S	S	*	*			trans	-68	91.1	180	50.7	0	0	0	0	111.5	H388 N392	H388-T390 PolarHBondContact O-N 3.07Å; T390-N392 PolarHBondContact O-N 2.91Å
391	Y	27.4	Very low	30.1	Very low	198 Å²	198	135.9 Å²	135.9	78%	0.776	72%	0.716	S	S	*	*			trans	-83.5	104.8	165.2	-93.8	-86.7	0	0	0	110.2	S389 V393	S389-Y391 PolarHBondContact O-N 3.14Å; Y391-V393 PolarHBondContact O-N 3.47Å; Y391-V393 VanDerWaalsContact O-N 3.07Å
392	N	25.8	Very low	30.3	Very low	164 Å²	164	139.5 Å²	139.5	88%	0.877	74%	0.741	S	S	*	*			trans	-67.2	100.6	159.9	-79.1	-8.3	0	0	0	108.2	T390	T390-N392 PolarHBondContact O-N 2.91Å
393	V	30	Very low	30	Very low	115 Å²	115	141.1 Å²	141.1	70%	0.697	75%	0.749	S	S	*	*			trans	-106.2	113.3	162	-179.6	0	0	0	0	106.8	Y391 I395	Y391-V393 PolarHBondContact O-N 3.47Å; Y391-V393 VanDerWaalsContact O-N 3.07Å; V393-I395 PolarHBondContact O-N 2.92Å
394	T	27.7	Very low	29.9	Very low	130 Å²	130	143 Å²	143	80%	0.798	76%	0.764	S	S	*	*			trans	-62.3	116.7	170.1	43.6	0	0	0	0	108.8	D396	T394-D396 PolarHBondContact O-N 3.1Å
395	I	30.8	Very low	29.8	Very low	153 Å²	153	145 Å²	145	79%	0.785	78%	0.778	S	S	*	*			trans	-72.3	111.1	164	-61.3	175.7	0	0	0	105.7	V393	V393-I395 PolarHBondContact O-N 2.92Å
396	D	30.7	Very low	30.1	Very low	148 Å²	148	145.1 Å²	145.1	79%	0.791	78%	0.781	S	S	*	*			trans	-81.7	121.8	174.3	-159.2	2.3	0	0	0	108.2	T394 N398	T394-D396 PolarHBondContact O-N 3.1Å; D396-N398 PolarHBondContact O-N 3.11Å
397	D	31.6	Very low	30	Very low	142 Å²	142	146.5 Å²	146.5	76%	0.759	79%	0.788	S	S	*	*			trans	-74.8	88.5	-175.3	-88.7	-42	0	0	0	110.3
398	N	34.3	Very low	30	Very low	138 Å²	138	145.8 Å²	145.8	74%	0.738	79%	0.786	S	S	*	*			trans	-165	120.5	153.4	-101.6	-64	0	0	0	113.9	D396	D396-N398 PolarHBondContact O-N 3.11Å
399	N	36.1	Very low	29.8	Very low	125 Å²	125	145.1 Å²	145.1	67%	0.668	78%	0.784	S	S	*	*			trans	31.3	105.3	145	-55.6	-43.8	0	0	0	119.1
400	H	33	Very low	29.7	Very low	181 Å²	181	146.2 Å²	146.2	84%	0.838	79%	0.787	S	S	*	*				-177.7	148.1	98.2	-97.3	-68.7	0	0	0	112.8
401	E	26.4	Very low	29.8	Very low	188 Å²	188	146.1 Å²	146.1	88%	0.879	78%	0.782	S	S	*	*			trans	-71.1	128.7	170.5	-58.9	171.2	111.8	0	0	110.8
402	T	31.9	Very low	29.9	Very low	141 Å²	141	144 Å²	144	87%	0.865	78%	0.778	S	S	*	*			trans	-134	122.4	155	42.4	0	0	0	0	111.2
403	V	26.5	Very low	29.9	Very low	127 Å²	127	140.1 Å²	140.1	77%	0.77	76%	0.764	S	S	*	*			trans	-70.8	143.5	172	173.1	0	0	0	0	109.4	Q405	V403-Q405 HydrophobicContact CG1-CB 4.28Å
404	C	30	Very low	29.7	Very low	139 Å²	139	144.9 Å²	144.9	94%	0.939	77%	0.771	S	S	*	*			trans	-137.5	131.3	157.3	-134.4	0	0	0	0	110.2
405	Q	27.2	Very low	29.8	Very low	161 Å²	161	145.5 Å²	145.5	75%	0.752	77%	0.769	S	S	*	*			trans	-142.7	125.9	-164.4	175.8	-172.8	3.7	0	0	109.1	V403	V403-Q405 HydrophobicContact CG1-CB 4.28Å
406	S	35.2	Very low	29.7	Very low	121 Å²	121	143.4 Å²	143.4	85%	0.846	77%	0.768	S	S	*	*			trans	-157.8	82.5	175.1	61.7	0	0	0	0	112.7
407	D	26.5	Very low	29.7	Very low	148 Å²	148	146 Å²	146	79%	0.791	77%	0.772	S	S	*	*			trans	-69.7	149.7	152.1	-78.4	-63.1	0	0	0	110.2
408	M	30.6	Very low	29.4	Very low	160 Å²	160	144.7 Å²	144.7	79%	0.788	77%	0.774	S	S	*	*			trans	155.8	108.2	153.7	-81.9	-92	172.3	0	0	106.1
409	Q	26.6	Very low	29.2	Very low	158 Å²	158	145.1 Å²	145.1	74%	0.738	78%	0.782	S	S	*	*				68.6	144.4	64.5	-156	-173.9	23	0	0	113
410	T	28.6	Very low	29	Very low	104 Å²	104	148.3 Å²	148.3	64%	0.638	79%	0.79	S	S	*	*			trans	87.6	109	169	75.1	0	0	0	0	118.9
411	N	28.2	Very low	28.7	Very low	128 Å²	128	146.7 Å²	146.7	68%	0.684	79%	0.787	S	S	*	*				96.3	144.8	113.7	-75.3	-2.1	0	0	0	123.6
412	H	29.7	Very low	28.8	Very low	152 Å²	152	144 Å²	144	70%	0.704	79%	0.787	S	S	*	*			trans	48.4	110.4	154.8	-57.1	-46.5	0	0	0	119.4
413	S	26.8	Very low	28.5	Very low	83 Å²	83	144.4 Å²	144.4	58%	0.58	78%	0.783	S	S	*	*			cis	79.8	135	48.5	80.6	0	0	0	0	115.5
414	Y	26.5	Very low	28.7	Very low	215 Å²	215	144 Å²	144	84%	0.843	78%	0.783	S	S	*	*			trans	85.4	147.1	164.6	-74.3	-75.9	0	0	0	121
415	L	29.6	Very low	28.5	Very low	144 Å²	144	146 Å²	146	75%	0.754	78%	0.778	S	S	*	*			trans	68.7	107.4	154.2	-102.3	65.2	0	0	0	120.8
416	S	26.8	Very low	28.7	Very low	109 Å²	109	149 Å²	149	76%	0.762	78%	0.783	S	S	*	*			trans	-45	129.7	145.6	51.8	0	0	0	0	113.8
417	K	30.8	Very low	28.6	Very low	201 Å²	201	150.9 Å²	150.9	87%	0.874	78%	0.778	S	S	*	*			trans	-158.2	149	144.3	-111.2	167.4	-174.7	178.5	0	110.6
418	S	26.9	Very low	28.7	Very low	116 Å²	116	149.6 Å²	149.6	81%	0.811	78%	0.781	S	S	*	*			trans	-81.1	135.5	-177	52	0	0	0	0	112.8
419	V	30.2	Very low	28.5	Very low	147 Å²	147	145.1 Å²	145.1	89%	0.891	78%	0.776	S	S	*	*			trans	-134.9	156.6	164.9	-175.5	0	0	0	0	109.2
420	K	31.3	Very low	28.7	Very low	192 Å²	192	147.8 Å²	147.8	84%	0.835	79%	0.785	S	S	*	*			trans	-86.8	170.4	-169.1	-63.9	174.1	176.6	177.5	0	113.9
421	N	26.6	Very low	28.6	Very low	147 Å²	147	149.9 Å²	149.9	79%	0.786	79%	0.792	S	S	*	*			trans	-35.1	147.8	170.7	-45.7	3.7	0	0	0	116.1
422	C	27.9	Very low	28.6	Very low	130 Å²	130	154.8 Å²	154.8	88%	0.878	80%	0.803	S	S	*	*			trans	-132.2	132.2	143.4	-71.2	0	0	0	0	109.2
423	I	25.7	Very low	28.4	Very low	150 Å²	150	153.9 Å²	153.9	77%	0.769	81%	0.808	S	S	*	*			trans	-123.2	128.4	161.7	-63.6	173.6	0	0	0	105.4
424	P	31.9	Very low	28.7	Very low	119 Å²	119	155 Å²	155	77%	0.773	81%	0.813	S	S	*	*			trans	-92.8	127.1	167.3	33.2	-27.6	0	0	0	110.6
425	E	25.4	Very low	28.8	Very low	180 Å²	180	155.2 Å²	155.2	84%	0.841	81%	0.814	S	S	*	*			trans	-112.2	117.7	174.6	172.1	179.9	-143.7	0	0	108
426	W	31.3	Very low	28.6	Very low	225 Å²	225	155.8 Å²	155.8	85%	0.852	82%	0.817	S	S	*	*			trans	-142	98.9	178.9	-90.5	78.6	0	0	0	112.9
427	E	32.2	Very low	28.7	Very low	160 Å²	160	158.9 Å²	158.9	75%	0.748	82%	0.819	S	S	*	*			trans	32.3	112.6	139	-57.4	-167.1	135.2	0	0	121.9	G429	E427-G429 PolarHBondContact O-N 2.94Å
428	S	29.8	Very low	28.4	Very low	122 Å²	122	154.7 Å²	154.7	85%	0.853	81%	0.811	S	S	*	*				43.4	78.4	113.5	-177.4	0	0	0	0	120.1
429	G	26.7	Very low	28.5	Very low	65 Å²	65	156.4 Å²	156.4	67%	0.67	81%	0.81	S	S	*	*				64.9	129.3	117.6	0	0	0	0	0	122.2	E427	E427-G429 PolarHBondContact O-N 2.94Å
430	K	30.3	Very low	28.4	Very low	214 Å²	214	157.9 Å²	157.9	93%	0.93	81%	0.807	S	S	*	*			trans	-166.8	154.7	136.9	-103.9	149.2	-169.6	169.5	0	111.6
431	N	27.1	Very low	28	Very low	148 Å²	148	156.2 Å²	156.2	79%	0.791	80%	0.802	S	S	*	*			trans	-61.1	150.4	-179.2	-51.1	-26.8	0	0	0	112.5
432	Y	27.9	Very low	28.1	Very low	232 Å²	232	155.7 Å²	155.7	91%	0.91	80%	0.804	S	S	*	*				-170.2	126.4	121.2	-96.7	-62.7	0	0	0	112.3
433	T	25.8	Very low	27.9	Very low	133 Å²	133	155.5 Å²	155.5	82%	0.816	80%	0.795	S	S	*	*			trans	-118.3	145	153.5	44.1	0	0	0	0	105.9
434	P	31.1	Very low	28	Very low	105 Å²	105	154.7 Å²	154.7	68%	0.682	80%	0.801	S	S	*	*				-149.2	168.5	73.1	40.6	-22.6	0	0	0	115.9
435	Y	29.7	Very low	27.5	Very low	221 Å²	221	154 Å²	154	87%	0.867	80%	0.799	S	S	*	*				-174.9	145	113.2	-111.4	-80.1	0	0	0	111.3
436	L	24.8	Very low	27.6	Very low	156 Å²	156	152.4 Å²	152.4	82%	0.817	80%	0.801	S	S	*	*			trans	-135.6	130.8	-179.7	-112.4	165.4	0	0	0	107
437	Q	29.1	Very low	27.4	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.813	80%	0.798	S	S	*	*			trans	-177.2	126.1	135.7	-106.9	169.6	-28.4	0	0	115.9
438	T	25.3	Very low	27	Very low	113 Å²	113	146.9 Å²	146.9	69%	0.693	81%	0.805	S	S	*	*			trans	31.6	133.7	136.4	56.2	0	0	0	0	122.8
439	L	27.8	Very low	27	Very low	152 Å²	152	147 Å²	147	80%	0.796	80%	0.803	S	S	*	*				157.6	147.3	127.5	-82.7	163.4	0	0	0	108.7
440	Q	28.2	Very low	26.8	Very low	178 Å²	178	150.1 Å²	150.1	83%	0.832	81%	0.809	S	S	*	*			cis	-153.3	162.8	-29.3	-160.9	168.6	1.7	0	0	108.5
441	Q	23.7	Very low	26.7	Very low	156 Å²	156	148.5 Å²	148.5	73%	0.729	81%	0.81	S	S	*	*			trans	-86.7	137.6	-174.6	177.6	-177.5	-8.3	0	0	113.2	D443	Q441-D443 PolarHBondContact NE2-OD2 2.82Å
442	V	28.7	Very low	26.5	Very low	136 Å²	136	151.7 Å²	151.7	82%	0.824	81%	0.812	S	S	*	*			trans	-141.1	121.1	162.3	-176.6	0	0	0	0	109.7
443	D	23.4	Very low	26.3	Very low	127 Å²	127	145.6 Å²	145.6	68%	0.679	80%	0.802	S	S	*	*			trans	-91.3	142	171.3	-76.2	-78.5	0	0	0	111.1	Q441	Q441-D443 PolarHBondContact NE2-OD2 2.82Å
444	C	27	Very low	26.6	Very low	133 Å²	133	144.4 Å²	144.4	90%	0.899	80%	0.797	S	S	*	*			trans	-148.8	125.8	160	-95.1	0	0	0	0	110.3
445	S	22.5	Very low	26.5	Very low	104 Å²	104	144.6 Å²	144.6	73%	0.727	80%	0.801	S	S	*	*			trans	-118.8	174.9	173.8	59.4	0	0	0	0	110.5
446	T	27.6	Very low	26.4	Very low	147 Å²	147	139.8 Å²	139.8	90%	0.902	80%	0.798	S	S	*	*			trans	79.9	148.7	-178.4	78.9	0	0	0	0	116.8
447	G	26.6	Very low	26.6	Very low	75 Å²	75	139.2 Å²	139.2	77%	0.773	80%	0.796	S	S	*	*			trans	113	86.7	162	0	0	0	0	0	118.4
448	H	23.9	Very low	26.6	Very low	193 Å²	193	138.3 Å²	138.3	89%	0.894	80%	0.797	S	S	*	*			trans	-91.2	144.7	146.5	-83.1	-52.6	0	0	0	108.2
449	P	29.8	Very low	26.7	Very low	126 Å²	126	142 Å²	142	82%	0.818	81%	0.806	S	S	*	*				-149	-177.8	93.1	39	-21.1	0	0	0	115.9
450	T	23.3	Very low	26.6	Very low	129 Å²	129	142.7 Å²	142.7	79%	0.791	81%	0.805	S	S	*	*			trans	-88.3	152.1	-177.7	51.3	0	0	0	0	114.7
451	L	27.7	Very low	26.6	Very low	181 Å²	181	143.9 Å²	143.9	95%	0.948	81%	0.807	S	S	*	*			trans	-150.1	172.5	150.4	-132.9	84.6	0	0	0	111.1
452	Y	22	Very low	26.8	Very low	214 Å²	214	142.1 Å²	142.1	84%	0.839	80%	0.803	S	S	*	*			trans	-150.2	138.8	-151.3	-158.5	-104.8	0	0	0	115.6
453	C	25.2	Very low	26.9	Very low	105 Å²	105	144 Å²	144	71%	0.709	81%	0.806	S	S	*	*			trans	63.6	175.3	162.7	-87.1	0	0	0	0	118.1
454	P	30.5	Very low	27	Very low	108 Å²	108	142.3 Å²	142.3	70%	0.701	81%	0.805	S	S	*	*			cis	-139.6	-173.4	16.4	44.8	-26.2	0	0	0	118.5
455	S	29.3	Very low	27	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	80%	0.801	S	S	*	*			trans	76.1	143.1	156.4	-57.7	0	0	0	0	119.1
456	C	27.8	Very low	27.3	Very low	120 Å²	120	146.6 Å²	146.6	81%	0.811	80%	0.804	S	S	*	*			cis	-153.4	160.3	-5.5	-118.9	0	0	0	0	113.5
457	N	28.7	Very low	27.4	Very low	144 Å²	144	148.1 Å²	148.1	77%	0.77	80%	0.798	S	S	*	*			trans	-62.7	172.9	-168.7	-61.8	-15.3	0	0	0	119.2
458	N	29	Very low	27.5	Very low	155 Å²	155	153.1 Å²	153.1	83%	0.829	80%	0.801	S	S	*	*			trans	84	140.5	160.6	-58.4	-13.9	0	0	0	116.2
459	E	28.7	Very low	27.8	Very low	190 Å²	190	154.2 Å²	154.2	89%	0.888	80%	0.799	S	S	*	*			cis	-120.5	155.7	2.8	-67.3	-172.8	147.5	0	0	112.8
460	Q	24.8	Very low	27.7	Very low	167 Å²	167	155.8 Å²	155.8	78%	0.78	80%	0.796	S	S	*	*			trans	-103.8	130.7	179.7	179.9	179.1	-10.2	0	0	111.5
461	K	28.8	Very low	27.8	Very low	202 Å²	202	157.3 Å²	157.3	88%	0.878	80%	0.799	S	S	*	*			trans	-152.4	117.1	169.2	-123.1	167.9	-172.6	163.4	0	111.9
462	D	28.4	Very low	27.8	Very low	119 Å²	119	153.8 Å²	153.8	64%	0.636	78%	0.78	S	S	*	*			trans	-75	145.2	-174.4	-68.1	-83.6	0	0	0	114.3
463	I	29.2	Very low	27.9	Very low	175 Å²	175	149 Å²	149	90%	0.897	78%	0.778	S	S	*	*			trans	-130.4	84.8	157.3	-57.4	-177.4	0	0	0	107.9	Q465	I463-Q465 PolarHBondContact O-N 2.92Å
464	S	26.8	Very low	28	Very low	92 Å²	92	153.6 Å²	153.6	64%	0.643	78%	0.782	S	S	*	*			trans	-86.4	107.1	-177	-49.1	0	0	0	0	111.7
465	Q	26.9	Very low	27.8	Very low	175 Å²	175	151.5 Å²	151.5	82%	0.818	78%	0.78	S	S	*	*			trans	-170.7	79.3	159.4	-112.7	160.6	84.1	0	0	113.2	I463	I463-Q465 PolarHBondContact O-N 2.92Å
466	L	29.4	Very low	27.8	Very low	152 Å²	152	153.6 Å²	153.6	80%	0.796	78%	0.782	S	S	*	*	S	Bend	trans	-150	108.5	164.5	-147.5	68.6	0	0	0	112.4	H468	L466-H468 PolarHBondContact O-N 3.33Å
467	F	29.7	Very low	27.8	Very low	179 Å²	179	154.5 Å²	154.5	79%	0.785	78%	0.779	S	S	*	*			trans	20.5	84.6	166.5	-59.6	-79.2	0	0	0	118.8	Y469	F467-Y469 PolarHBondContact O-N 2.9Å
468	H	27.4	Very low	27.9	Very low	180 Å²	180	155.1 Å²	155.1	83%	0.833	78%	0.783	S	S	*	*			trans	-75	98.9	160.3	-97.8	25.9	0	0	0	111.4	L466 Q470	L466-H468 PolarHBondContact O-N 3.33Å; H468-Q470 PolarHBondContact O-N 3.44Å
469	Y	29.6	Very low	27.9	Very low	216 Å²	216	154.1 Å²	154.1	85%	0.847	78%	0.776	S	S	*	*			trans	-75.9	102.5	156.1	-86.7	-88.4	0	0	0	108.8	F467 N471	F467-Y469 PolarHBondContact O-N 2.9Å; Y469-N471 PolarHBondContact O-N 2.96Å
470	Q	28.3	Very low	27.8	Very low	160 Å²	160	152.4 Å²	152.4	75%	0.748	77%	0.771	S	S	*	*			trans	-67.5	125.9	170.9	-78.2	-175.8	-24.7	0	0	110.2	H468 I472	H468-Q470 PolarHBondContact O-N 3.44Å; Q470-I472 HydrophobicContact CB-CG1 4.45Å; Q470-I472 PolarHBondContact O-N 3.07Å
471	N	26	Very low	28.1	Very low	160 Å²	160	149.6 Å²	149.6	86%	0.856	77%	0.77	S	S	*	*			trans	-70.1	92.4	169	-83	-51.6	0	0	0	109.5	Y469	Y469-N471 PolarHBondContact O-N 2.96Å
472	I	27.8	Very low	28.1	Very low	107 Å²	107	146.4 Å²	146.4	55%	0.549	76%	0.762	S	S	.	*			trans	-90.9	114.1	167.5	-39.2	-178.6	0	0	0	108.1	Q470 Y474	Q470-I472 HydrophobicContact CB-CG1 4.45Å; Q470-I472 PolarHBondContact O-N 3.07Å; I472-Y474 HydrophobicContact CB-CE2 4.27Å; I472-Y474 HydrophobicContact CG2-CD2 3.85Å; I472-Y474 HydrophobicContact CG2-CE1 4.22Å; I472-Y474 HydrophobicContact CG2-CE2 3.28Å; I472-Y474 VanDerWaalsContact CG2-CZ 3.48Å
473	S	23.3	Very low	28.2	Very low	115 Å²	115	147.4 Å²	147.4	80%	0.804	77%	0.768	S	S	*	*			trans	-91.8	110.6	174.3	-166.1	0	0	0	0	109.2
474	Y	28.7	Very low	28.3	Very low	200 Å²	200	145.6 Å²	145.6	78%	0.784	76%	0.76	S	S	*	*			trans	-116.9	138.7	162.6	-64.7	-57.9	0	0	0	108.3	I472	I472-Y474 HydrophobicContact CB-CE2 4.27Å; I472-Y474 HydrophobicContact CG2-CD2 3.85Å; I472-Y474 HydrophobicContact CG2-CE1 4.22Å; I472-Y474 HydrophobicContact CG2-CE2 3.28Å; I472-Y474 VanDerWaalsContact CG2-CZ 3.48Å
475	G	24.7	Very low	28.3	Very low	64 Å²	64	148.2 Å²	148.2	66%	0.66	77%	0.765	S	S	*	*			trans	-146.8	108.7	-179.8	0	0	0	0	0	109.6	N477	G475-N477 PolarHBondContact O-N 3.08Å
476	D	30	Very low	28.5	Very low	153 Å²	153	146.1 Å²	146.1	82%	0.818	76%	0.764	S	S	*	*			trans	-91.8	89.9	170.1	-58.9	-41.2	0	0	0	107.4
477	N	27.4	Very low	28.3	Very low	139 Å²	139	146.1 Å²	146.1	74%	0.743	77%	0.765	S	S	*	*			trans	-102.9	64.1	174.6	-89.7	-13.5	0	0	0	109.3	G475 I479	G475-N477 PolarHBondContact O-N 3.08Å; N477-I479 PolarHBondContact O-N 2.9Å
478	D	30.3	Very low	28.3	Very low	157 Å²	157	146.1 Å²	146.1	84%	0.84	77%	0.767	S	S	*	*			trans	-75.1	70.1	172.5	-77.5	-17.4	0	0	0	110.6	I480	D478-I480 PolarHBondContact O-N 3.23Å
479	I	30.3	Very low	28.4	Very low	134 Å²	134	141.7 Å²	141.7	69%	0.687	76%	0.757	S	S	*	*			trans	-72.2	111	166.3	-64.1	177.9	0	0	0	107.3	N477 S481	N477-I479 PolarHBondContact O-N 2.9Å; I479-S481 PolarHBondContact O-N 3.12Å; I479-S481 PolarHBondContact O-OG 3.01Å
480	I	25.7	Very low	28.3	Very low	155 Å²	155	138.6 Å²	138.6	80%	0.795	75%	0.753	S	S	*	*			trans	-52.3	109.2	172.1	-59.9	167.1	0	0	0	108.8	D478	D478-I480 PolarHBondContact O-N 3.23Å
481	S	31.6	Very low	28.3	Very low	107 Å²	107	140.1 Å²	140.1	75%	0.748	76%	0.757	S	S	*	*			trans	-127.1	115.5	172.4	45.8	0	0	0	0	108.6	I479	I479-S481 PolarHBondContact O-N 3.12Å; I479-S481 PolarHBondContact O-OG 3.01Å
482	N	28.8	Very low	28.5	Very low	135 Å²	135	136 Å²	136	72%	0.722	75%	0.746	S	S	*	*			trans	-76.1	154	-174.4	-77.6	-22.1	0	0	0	112.3
483	N	29.9	Very low	28.4	Very low	140 Å²	140	136.5 Å²	136.5	75%	0.749	76%	0.759	S	S	*	*			trans	85.4	131.4	155.1	-57.6	-21.1	0	0	0	120.2
484	N	31.2	Very low	28.9	Very low	137 Å²	137	136.2 Å²	136.2	73%	0.733	75%	0.754	S	S	*	*			trans	76.3	83.5	143.5	-59.7	-6.8	0	0	0	120.7
485	I	27.6	Very low	29	Very low	147 Å²	147	133.5 Å²	133.5	75%	0.754	75%	0.753	S	S	*	*				34.9	116.1	111.4	-52.7	164	0	0	0	117.5
486	V	30.8	Very low	29.1	Very low	132 Å²	132	135.4 Å²	135.4	80%	0.8	76%	0.756	S	S	*	*				-143.2	131.6	126.7	178.3	0	0	0	0	109
487	N	25.1	Very low	29.1	Very low	152 Å²	152	132.5 Å²	132.5	81%	0.813	75%	0.748	S	S	*	*			trans	-83.1	129.9	174	-87.9	-32.9	0	0	0	112.2
488	Q	30.5	Very low	29.1	Very low	178 Å²	178	132.9 Å²	132.9	83%	0.832	75%	0.75	S	S	*	*			trans	-147.1	140.6	154.7	-68.3	-170.7	0.4	0	0	110.1
489	S	28.4	Very low	29.1	Very low	87 Å²	87	134.8 Å²	134.8	61%	0.608	75%	0.754	S	S	*	*			cis	177.6	151.9	-30.1	45.8	0	0	0	0	108.2
490	I	28.2	Very low	28.9	Very low	151 Å²	151	137.1 Å²	137.1	77%	0.774	76%	0.764	S	S	*	*			trans	68.9	131.8	155.4	-70.7	159	0	0	0	114.1
491	K	27.9	Very low	29.3	Very low	192 Å²	192	134.8 Å²	134.8	84%	0.835	76%	0.759	S	S	*	*			cis	-163	172	8.3	-123.5	178.1	-167.7	173.3	0	107.1
492	A	29.9	Very low	29.2	Very low	75 Å²	75	134.5 Å²	134.5	62%	0.62	76%	0.757	S	S	*	*			cis	-158.5	160.9	-1.1	0	0	0	0	0	111.7
493	S	26.6	Very low	29.2	Very low	116 Å²	116	133.4 Å²	133.4	81%	0.811	76%	0.755	S	S	*	*			trans	77.8	150.8	141.4	-68.8	0	0	0	0	121.9
494	P	33.3	Very low	29.2	Very low	109 Å²	109	134.1 Å²	134.1	71%	0.708	75%	0.754	S	S	*	*			trans	-138	-175	-142	42.9	-23.4	0	0	0	115.5
495	N	30.1	Very low	29.2	Very low	144 Å²	144	133.3 Å²	133.3	77%	0.77	75%	0.75	S	S	*	*			trans	177.3	112.5	137.2	-91.2	-6.8	0	0	0	107.2
496	S	28.6	Very low	29.3	Very low	103 Å²	103	129.5 Å²	129.5	72%	0.72	74%	0.736	S	S	*	*				67.6	131	91.7	75	0	0	0	0	113.2
497	S	29.4	Very low	29.1	Very low	92 Å²	92	132.6 Å²	132.6	64%	0.643	74%	0.739	S	S	*	*			cis	-160.5	152.9	18.4	46.9	0	0	0	0	112.8
498	D	27.6	Very low	29.2	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	73%	0.733	S	S	*	*			trans	41.2	115.4	144.8	-41.3	-25.6	0	0	0	118.6
499	Q	28.9	Very low	29	Very low	197 Å²	197	128.8 Å²	128.8	92%	0.921	73%	0.73	S	S	*	*				-158.4	149.7	67.4	-88.1	-178.6	-18.2	0	0	115.1
500	M	26.8	Very low	28.9	Very low	183 Å²	183	130.7 Å²	130.7	90%	0.901	74%	0.738	S	S	*	*			trans	-149.1	178.1	168.6	-141.1	-160.5	158.6	0	0	104.9
501	P	33.4	Very low	28.8	Very low	106 Å²	106	129.1 Å²	129.1	69%	0.688	74%	0.74	S	S	*	*			cis	-127.3	-178.3	-21.1	42.2	-28.8	0	0	0	112.6
502	S	30.6	Very low	28.8	Very low	101 Å²	101	125.9 Å²	125.9	71%	0.706	74%	0.739	S	S	*	*			trans	-164.8	133.3	137.9	53.8	0	0	0	0	113.1
503	T	29.1	Very low	28.8	Very low	112 Å²	112	130.9 Å²	130.9	69%	0.687	75%	0.749	S	S	*	*			trans	35.2	129.9	142	60.3	0	0	0	0	119.8
504	E	29.9	Very low	28.7	Very low	154 Å²	154	132.4 Å²	132.4	72%	0.72	75%	0.745	S	S	*	*			cis	-166.4	-179.1	11.2	-119.1	162.8	-114.6	0	0	108
505	N	31.4	Very low	28.4	Very low	121 Å²	121	133.5 Å²	133.5	65%	0.647	74%	0.744	S	S	*	*			cis	-151.9	-172.7	14.5	-139.1	-33.1	0	0	0	113.9
506	S	28.5	Very low	28.2	Very low	67 Å²	67	133.3 Å²	133.3	47%	0.469	74%	0.743	S	S	.	*			trans	-69	167.3	170.5	54.9	0	0	0	0	113.7
507	F	27.6	Very low	28.2	Very low	197 Å²	197	138.5 Å²	138.5	86%	0.864	75%	0.753	S	S	*	*			cis	-139.3	150.1	30.4	-82.1	-94.8	0	0	0	115.9
508	P	26.7	Very low	28	Very low	103 Å²	103	139.4 Å²	139.4	67%	0.669	75%	0.754	S	S	*	*			trans	-118.6	-167	171.2	44.1	-34.5	0	0	0	114.1
509	L	27	Very low	28	Very low	147 Å²	147	141.2 Å²	141.2	77%	0.77	76%	0.758	S	S	*	*			trans	84.7	104.3	158.6	-102.6	73	0	0	0	121.1
510	T	25.6	Very low	27.9	Very low	126 Å²	126	138.2 Å²	138.2	77%	0.773	75%	0.748	S	S	*	*				40.9	124.2	125.1	60.9	0	0	0	0	122.4
511	S	27	Very low	27.9	Very low	119 Å²	119	137.5 Å²	137.5	83%	0.832	75%	0.747	S	S	*	*			trans	-146.2	142.4	133.6	60.5	0	0	0	0	110.8
512	P	27.7	Very low	27.5	Very low	124 Å²	124	137.6 Å²	137.6	81%	0.805	75%	0.751	S	S	*	*			trans	-123	105.6	178.8	36.8	-22.7	0	0	0	114.1
513	E	28.2	Very low	27.2	Very low	180 Å²	180	138.9 Å²	138.9	84%	0.841	76%	0.756	S	S	*	*			trans	-162.8	156	170.3	-100.1	177.5	165.2	0	0	108.2
514	M	26.2	Very low	27.1	Very low	148 Å²	148	139 Å²	139	73%	0.729	76%	0.762	S	S	*	*			cis	-165.7	146.1	-30.1	-121.4	-165.7	-165.6	0	0	107.9
515	I	27.1	Very low	27	Very low	131 Å²	131	137 Å²	137	67%	0.672	76%	0.764	S	S	*	*			trans	62.1	110.4	147	-60.7	171.5	0	0	0	119.5
516	N	25.1	Very low	26.7	Very low	140 Å²	140	139 Å²	139	75%	0.749	77%	0.774	S	S	*	*			trans	51.4	113.5	143.3	-57.5	-7.5	0	0	0	121.7
517	K	27.9	Very low	26.5	Very low	213 Å²	213	144.9 Å²	144.9	93%	0.926	79%	0.791	S	S	*	*				-140.2	140.8	123.3	-109.6	174.9	-177.4	178.9	0	109.9
518	T	25	Very low	26.3	Very low	111 Å²	111	142 Å²	142	68%	0.681	79%	0.794	S	S	*	*			trans	-141	106.5	-171.1	-45.3	0	0	0	0	110.8
519	E	28.8	Very low	26.1	Very low	186 Å²	186	144 Å²	144	87%	0.869	80%	0.798	S	S	*	*			trans	-135.4	114.4	168.3	-62.2	179.5	153.7	0	0	104.6
520	N	26.9	Very low	26.1	Very low	134 Å²	134	142.4 Å²	142.4	72%	0.717	80%	0.799	S	S	*	*				58.4	128.1	67.5	-63.2	-34.7	0	0	0	111.1
521	L	26.8	Very low	26	Very low	167 Å²	167	144.3 Å²	144.3	87%	0.874	80%	0.799	S	S	*	*			cis	-129.9	173.5	8.6	-59.1	83.3	0	0	0	109.2
522	S	24	Very low	25.9	Very low	109 Å²	109	142 Å²	142	76%	0.762	79%	0.793	S	S	*	*			cis	-152.7	144.2	16.6	51.8	0	0	0	0	113.3
523	P	24.3	Very low	25.6	Very low	127 Å²	127	145.7 Å²	145.7	83%	0.825	80%	0.797	S	S	*	*			trans	-113	143.2	162.7	36.3	-27.5	0	0	0	112.2
524	S	28.3	Very low	25.5	Very low	115 Å²	115	143 Å²	143	80%	0.804	79%	0.793	S	S	*	*			trans	-146.6	137.9	165.8	57.5	0	0	0	0	112
525	S	27.4	Very low	25.4	Very low	111 Å²	111	143.4 Å²	143.4	78%	0.776	80%	0.798	S	S	*	*			cis	-169.8	122.7	-32	36.1	0	0	0	0	106.6
526	I	23.7	Very low	25.3	Very low	165 Å²	165	144.3 Å²	144.3	85%	0.846	80%	0.804	S	S	*	*			trans	-83.8	147.2	178.5	-54.9	173.3	0	0	0	109.7
527	K	24.8	Very low	25.2	Very low	189 Å²	189	142.5 Å²	142.5	82%	0.822	80%	0.803	S	S	*	*			trans	108.3	117.1	163.7	-62.1	177.4	-180	179.6	0	115.5
528	C	23.9	Very low	25.1	Very low	137 Å²	137	141.3 Å²	141.3	93%	0.926	80%	0.803	S	S	*	*				-135.5	112	122	-104.8	0	0	0	0	107.7
529	L	22.8	Very low	25	Very low	146 Å²	146	144.2 Å²	144.2	76%	0.764	81%	0.805	S	S	*	*			trans	-109.1	106.8	176.1	-138.8	169.2	0	0	0	106
530	S	26.9	Very low	24.9	Very low	112 Å²	112	143 Å²	143	78%	0.783	80%	0.799	S	S	*	*			trans	-118.8	109.3	173.3	44.5	0	0	0	0	109.3	G532	S530-G532 PolarHBondContact O-N 3.45Å
531	H	22.4	Very low	24.7	Very low	167 Å²	167	144 Å²	144	77%	0.773	80%	0.8	S	S	*	*			trans	-66.5	128.7	164.7	-86.7	-112.7	0	0	0	108.7
532	G	25.1	Very low	24.5	Very low	69 Å²	69	142.6 Å²	142.6	71%	0.711	79%	0.793	S	S	*	*			trans	-145.4	62.5	-175.7	0	0	0	0	0	111.8	S530 V534	S530-G532 PolarHBondContact O-N 3.45Å; G532-V534 VanDerWaalsContact C-N 3.33Å; G532-V534 PolarHBondContact O-N 2.97Å
533	F	22	Very low	24.6	Very low	203 Å²	203	141.5 Å²	141.5	89%	0.89	78%	0.783	S	S	*	*			trans	-67.5	90.4	168.9	-88.8	-87.9	0	0	0	109.8
534	V	27.1	Very low	24.4	Very low	123 Å²	123	140.8 Å²	140.8	75%	0.745	78%	0.78	S	S	*	*			trans	-127.8	107.9	158.8	-176.6	0	0	0	0	108.6	G532 N536	G532-V534 VanDerWaalsContact C-N 3.33Å; G532-V534 PolarHBondContact O-N 2.97Å; V534-N536 PolarHBondContact O-N 3.23Å
535	N	23	Very low	24.3	Very low	156 Å²	156	144.5 Å²	144.5	83%	0.834	78%	0.778	S	S	*	*			trans	-70.2	118.2	171.4	-173.9	14.8	0	0	0	108.7
536	N	25.8	Very low	24	Very low	150 Å²	150	142.7 Å²	142.7	80%	0.802	77%	0.765	S	S	*	*			trans	-150.8	111.2	162.2	-111.3	-25.6	0	0	0	111.6	V534 M538	V534-N536 PolarHBondContact O-N 3.23Å; N536-M538 PolarHBondContact O-N 2.86Å
537	S	22.2	Very low	24.1	Very low	103 Å²	103	139.3 Å²	139.3	72%	0.72	76%	0.756	S	S	*	*			trans	-67.1	121.7	171.2	137.3	0	0	0	0	109.6
538	M	26.3	Very low	24	Very low	188 Å²	188	134.9 Å²	134.9	93%	0.926	74%	0.738	S	S	*	*			trans	-132.6	120.2	152	-152.9	161.5	-172.6	0	0	109.5	N536	N536-M538 PolarHBondContact O-N 2.86Å
539	K	22.8	Very low	24.2	Very low	171 Å²	171	137.6 Å²	137.6	74%	0.743	74%	0.735	S	S	*	*			trans	-64.8	147.9	175.9	-59.7	167.1	-178.9	173.7	0	108.7
540	H	25.9	Very low	24.1	Very low	160 Å²	160	134.1 Å²	134.1	74%	0.741	72%	0.717	S	S	*	*				-176.2	141.5	109.1	-96.2	-72.5	0	0	0	112.2
541	H	23.5	Very low	24.1	Very low	156 Å²	156	136.6 Å²	136.6	72%	0.722	72%	0.716	S	S	*	*			trans	35.6	100	161	-58.9	-60.5	0	0	0	120.5
542	N	22.2	Very low	24.1	Very low	138 Å²	138	134.6 Å²	134.6	74%	0.738	72%	0.715	S	S	*	*				-54.9	143.2	127.6	-135.5	12.8	0	0	0	108.7
543	P	25.7	Very low	24.1	Very low	86 Å²	86	137.8 Å²	137.8	56%	0.558	72%	0.721	S	S	*	*				-133.6	136.1	109.9	35	-26.8	0	0	0	113.3	Y545	P543-Y545 HydrophobicContact CB-CD2 4.02Å; P543-Y545 HydrophobicContact CB-CE2 3.9Å; P543-Y545 HydrophobicContact CG-CD2 3.83Å; P543-Y545 HydrophobicContact CG-CE2 3.72Å; P543-Y545 PolarHBondContact O-N 3.35Å
544	C	21.5	Very low	24.2	Very low	111 Å²	111	130.9 Å²	130.9	75%	0.75	71%	0.708	S	S	*	*			trans	-68.8	114.3	160.2	-57.6	0	0	0	0	108.4
545	Y	25	Very low	23.9	Very low	194 Å²	194	134 Å²	134	76%	0.761	72%	0.719	S	S	*	*			trans	-103.5	96.3	165.9	-91.4	-76.6	0	0	0	110.6	P543	P543-Y545 HydrophobicContact CB-CD2 4.02Å; P543-Y545 HydrophobicContact CB-CE2 3.9Å; P543-Y545 HydrophobicContact CG-CD2 3.83Å; P543-Y545 HydrophobicContact CG-CE2 3.72Å; P543-Y545 PolarHBondContact O-N 3.35Å
546	S	22.1	Very low	23.9	Very low	72 Å²	72	134 Å²	134	50%	0.503	72%	0.717	S	S	.	*			trans	-73.3	122.5	143.3	-176.6	0	0	0	0	107	Y384	Y384-S546 PolarHBondContact OH-OG 3.15Å; Y384-S546 VanDerWaalsContact OH-OG 3.09Å
547	S	26.1	Very low	23.8	Very low	95 Å²	95	137.2 Å²	137.2	66%	0.664	72%	0.72	S	S	*	*			trans	-128.1	102.6	165.3	49.5	0	0	0	0	108.5
548	Q	22.6	Very low	23.9	Very low	96 Å²	96	135.6 Å²	135.6	45%	0.449	72%	0.719	S	S	.	*			trans	-59.2	138.5	167.7	-52.5	167.2	-61.2	0	0	108.7	P382 Y384	P382-Q548 PolarHBondContact O-NE2 3.37Å; Y384-Q548 HydrophobicContact CD2-CG 4.24Å; Y384-Q548 HydrophobicContact CE2-CG 4.43Å; Y384-Q548 HydrophobicContact CG-CG 4.41Å
549	F	26.3	Very low	23.7	Very low	193 Å²	193	133.2 Å²	133.2	85%	0.846	71%	0.71	S	S	*	*			trans	-136.3	98.5	143.7	-96.6	-73.7	0	0	0	110.3
550	N	22.4	Very low	23.8	Very low	73 Å²	73	135.4 Å²	135.4	39%	0.39	72%	0.72	S	S	.	*			trans	-55.1	147.9	146.1	-103	-63.9	0	0	0	108.1	N381	N381-N550 PolarHBondContact OD1-ND2 3.06Å
551	H	26.1	Very low	23.6	Very low	165 Å²	165	132 Å²	132	76%	0.764	72%	0.72	S	S	*	*				-177.3	132.9	111.8	-96.2	-65.3	0	0	0	112.7
552	T	22	Very low	23.7	Very low	124 Å²	124	131 Å²	131	76%	0.761	72%	0.72	S	S	*	*			trans	-86.6	111.5	168	49.8	0	0	0	0	111.4
553	T	25.5	Very low	23.8	Very low	137 Å²	137	133 Å²	133	84%	0.84	72%	0.722	S	S	*	*			trans	-158.1	152.7	154.6	23.8	0	0	0	0	107.4
554	G	23.8	Very low	23.8	Very low	58 Å²	58	133 Å²	133	60%	0.598	72%	0.724	S	S	*	*			cis	134	95.8	7	0	0	0	0	0	108.4	I556	G554-I556 PolarHBondContact O-N 2.88Å; G554-I556 VanDerWaalsContact O-N 3.08Å
555	L	21.4	Very low	24	Very low	187 Å²	187	133.7 Å²	133.7	98%	0.979	72%	0.72	S	S	*	*			trans	-59.5	110.1	-178.5	-74.6	163.4	0	0	0	110.7
556	I	23.8	Very low	24.1	Very low	156 Å²	156	130.1 Å²	130.1	80%	0.8	71%	0.714	S	S	*	*			trans	-132.8	128.7	170.8	-62.1	-176.7	0	0	0	108.5	G554	G554-I556 PolarHBondContact O-N 2.88Å; G554-I556 VanDerWaalsContact O-N 3.08Å
557	Y	21.7	Very low	24.5	Very low	219 Å²	219	133.3 Å²	133.3	86%	0.859	73%	0.726	S	S	*	*			trans	-68	144.6	176.3	-99.4	-111.8	0	0	0	111.9
558	G	24.3	Very low	24.6	Very low	69 Å²	69	134.7 Å²	134.7	71%	0.711	73%	0.725	S	S	*	*			trans	-145.6	63.6	177.5	0	0	0	0	0	113	F560	G558-F560 PolarHBondContact O-N 3.11Å
559	N	23.1	Very low	25	Very low	138 Å²	138	137.5 Å²	137.5	74%	0.738	74%	0.743	S	S	*	*			trans	-68.6	111.1	173.9	-84.5	1.3	0	0	0	110.9
560	F	24.6	Very low	25.1	Very low	216 Å²	216	134.5 Å²	134.5	95%	0.947	74%	0.736	S	S	*	*			trans	-138.6	76.8	158.2	-86.4	-72.4	0	0	0	111.4	G558	G558-F560 PolarHBondContact O-N 3.11Å
561	A	22.6	Very low	25.5	Very low	90 Å²	90	138.8 Å²	138.8	74%	0.744	76%	0.759	S	S	*	*			trans	-113.9	109.9	156.9	0	0	0	0	0	107.9
562	N	24.6	Very low	25.5	Very low	133 Å²	133	135.7 Å²	135.7	71%	0.711	76%	0.755	S	S	*	*			trans	-174	144.3	149.4	-112.3	-22	0	0	0	113.9
563	F	24.2	Very low	26	Very low	181 Å²	181	139.2 Å²	139.2	79%	0.794	76%	0.76	S	S	*	*			trans	65.5	138.2	157.4	-62.8	-48.8	0	0	0	119.3
564	S	26.1	Very low	26.1	Very low	85 Å²	85	140.9 Å²	140.9	59%	0.594	76%	0.758	S	S	*	*			cis	-167.2	161.7	-8.8	60.1	0	0	0	0	114.7
565	N	26.3	Very low	26.2	Very low	126 Å²	126	144.8 Å²	144.8	67%	0.674	76%	0.764	S	S	*	*			trans	77.8	119.9	139	-72.2	-2.2	0	0	0	121.4
566	N	27.2	Very low	26.6	Very low	119 Å²	119	142 Å²	142	64%	0.636	75%	0.75	S	S	*	*			trans	73.6	132.7	131.8	-54	-5.8	0	0	0	117.8
567	N	29.7	Very low	26.6	Very low	140 Å²	140	142.9 Å²	142.9	75%	0.749	75%	0.751	S	S	*	*			cis	-136.6	133.9	32.3	-80	-58	0	0	0	115.5
568	I	27.8	Very low	27	Very low	123 Å²	123	141.4 Å²	141.4	63%	0.631	75%	0.752	S	S	*	*				10.1	122.8	121.7	-60.4	153.5	0	0	0	116.5
569	N	31.6	Very low	26.9	Very low	156 Å²	156	144.2 Å²	144.2	83%	0.834	76%	0.756	S	S	*	*				-159.6	142.1	112.6	-122	-25.4	0	0	0	113.1
570	D	28	Very low	27.2	Very low	130 Å²	130	144.8 Å²	144.8	70%	0.695	76%	0.758	S	S	*	*			trans	-80.7	158.5	180	-63.2	-84.4	0	0	0	112.7
571	N	31.6	Very low	27.2	Very low	163 Å²	163	141.1 Å²	141.1	87%	0.872	75%	0.754	S	S	*	*				-164.7	152.6	108.6	-106.7	-74.3	0	0	0	113.1
572	S	26.5	Very low	27.4	Very low	99 Å²	99	144.7 Å²	144.7	69%	0.692	76%	0.76	S	S	*	*			trans	-106	152.6	-173.7	60.3	0	0	0	0	112.9
573	K	32.1	Very low	27.4	Very low	198 Å²	198	149.2 Å²	149.2	86%	0.861	77%	0.767	S	S	*	*			trans	-176.3	97.7	134.8	-100.2	156.2	-172.1	176.2	0	113.7
574	Q	26.5	Very low	27.6	Very low	172 Å²	172	147.7 Å²	147.7	80%	0.804	77%	0.766	S	S	*	*				18.6	124.9	113.5	-128.7	176.9	23.8	0	0	117.4
575	I	27.5	Very low	27.7	Very low	140 Å²	140	150.1 Å²	150.1	72%	0.718	77%	0.773	S	S	*	*				165.6	129.6	119.4	-86.1	157.5	0	0	0	114
576	N	28.6	Very low	27.7	Very low	129 Å²	129	152.9 Å²	152.9	69%	0.69	78%	0.781	S	S	*	*			trans	46.5	115.8	154	-61.8	0.2	0	0	0	124.2
577	Q	25.1	Very low	27.8	Very low	174 Å²	174	156.1 Å²	156.1	81%	0.813	79%	0.793	S	S	*	*				35.7	122.8	114.6	-59.4	175.3	-14.7	0	0	120
578	Q	28.9	Very low	27.6	Very low	188 Å²	188	157.3 Å²	157.3	88%	0.879	79%	0.794	S	S	*	*				-155.8	128.8	123.6	-116.5	172.3	16.9	0	0	112.5
579	T	23.4	Very low	27.7	Very low	129 Å²	129	158.8 Å²	158.8	79%	0.791	80%	0.803	S	S	*	*			trans	-87	141.8	169.4	46.2	0	0	0	0	110.5
580	N	29.2	Very low	27.5	Very low	149 Å²	149	157.9 Å²	157.9	80%	0.797	80%	0.798	S	S	*	*			trans	-141	98.2	163.3	-94.5	-39.8	0	0	0	111.2
581	T	24.6	Very low	27.6	Very low	140 Å²	140	159.2 Å²	159.2	86%	0.859	80%	0.802	S	S	*	*			trans	-83.4	131.8	160.8	43.3	0	0	0	0	109.7
582	L	27.1	Very low	27.5	Very low	164 Å²	164	160.2 Å²	160.2	86%	0.859	80%	0.798	S	S	*	*			trans	-120.9	97.1	174.7	-125.6	151	0	0	0	109.4
583	R	23.5	Very low	27.6	Very low	229 Å²	229	161.3 Å²	161.3	86%	0.864	80%	0.803	S	S	*	*			trans	-74.5	157	157.6	-74.1	177.6	167.9	170.7	-6.5	108.4
584	L	28.7	Very low	27.5	Very low	148 Å²	148	160 Å²	160	78%	0.775	80%	0.8	S	S	*	*				-170.8	142.4	127.6	-100.2	156.8	0	0	0	111.8
585	N	28.9	Very low	27.4	Very low	137 Å²	137	158.7 Å²	158.7	73%	0.733	79%	0.794	S	S	*	*			trans	67	100.9	160	-60.3	-7.1	0	0	0	119.8
586	E	25.2	Very low	27.3	Very low	184 Å²	184	158.5 Å²	158.5	86%	0.86	79%	0.794	S	S	*	*			trans	-59.2	157.7	142.4	-53.9	108.1	152.8	0	0	111.3
587	Q	28.4	Very low	27.2	Very low	186 Å²	186	161 Å²	161	87%	0.869	80%	0.801	S	S	*	*			trans	-145.7	121.8	138.4	-161.8	166.9	11.3	0	0	110.7
588	E	25.7	Very low	27.4	Very low	166 Å²	166	157.3 Å²	157.3	78%	0.776	79%	0.792	S	S	*	*			trans	-98.6	152.3	-178.5	179.2	174.7	-126.1	0	0	110.3
589	N	31.4	Very low	27.2	Very low	154 Å²	154	155.7 Å²	155.7	82%	0.824	79%	0.789	S	S	*	*			trans	-163.2	119.1	161.6	-102.5	-44.1	0	0	0	111.5
590	D	26.5	Very low	27.3	Very low	137 Å²	137	155.3 Å²	155.3	73%	0.733	78%	0.782	S	S	*	*			trans	-73.3	150.6	173.5	-89	-54.8	0	0	0	113.3
591	M	30.6	Very low	27.1	Very low	157 Å²	157	154.7 Å²	154.7	77%	0.773	78%	0.778	S	S	*	*				174.9	141.4	100.4	-95.5	-148.4	176.8	0	0	116.3
592	K	29	Very low	27.2	Very low	184 Å²	184	153.7 Å²	153.7	80%	0.8	78%	0.778	S	S	*	*			trans	72.8	125.8	150.9	-72	178	179	-178.4	0	120.6
593	P	29	Very low	27	Very low	122 Å²	122	154.1 Å²	154.1	79%	0.792	78%	0.78	S	S	*	*			trans	-101.6	150.4	163.8	37.6	-30.6	0	0	0	112.9
594	Q	29.5	Very low	27.2	Very low	170 Å²	170	149.7 Å²	149.7	79%	0.794	78%	0.778	S	S	*	*			trans	-158.7	121.5	149	-130.8	175.2	-29.1	0	0	115.8
595	E	25.4	Very low	27.1	Very low	146 Å²	146	146.4 Å²	146.4	68%	0.682	77%	0.767	S	S	*	*			trans	40.8	130.5	140.6	-62.8	179.2	112.6	0	0	125
596	L	24	Very low	27	Very low	136 Å²	136	146.3 Å²	146.3	71%	0.712	77%	0.766	S	S	*	*			trans	52	118.9	139.7	-84.3	65.7	0	0	0	121.1
597	H	27.4	Very low	27.1	Very low	180 Å²	180	142.7 Å²	142.7	83%	0.833	76%	0.757	S	S	*	*				-158.9	144.5	89.2	-113.2	-87.3	0	0	0	112
598	P	28.9	Very low	27.2	Very low	97 Å²	97	141.6 Å²	141.6	63%	0.63	75%	0.75	S	S	*	*			trans	-95.9	164.1	175	37.7	-34.8	0	0	0	112.7
599	L	25.9	Very low	27.3	Very low	155 Å²	155	138.9 Å²	138.9	81%	0.812	74%	0.74	S	S	*	*			trans	178.2	125.6	135.6	-93.8	157.4	0	0	0	112.8
600	N	25.2	Very low	27.1	Very low	121 Å²	121	137.4 Å²	137.4	65%	0.647	72%	0.723	S	S	*	*			trans	71.8	124.9	143.4	-75	36.1	0	0	0	125.8
601	D	24.4	Very low	27.3	Very low	135 Å²	135	137.8 Å²	137.8	72%	0.722	72%	0.716	S	S	*	*				73.2	81.5	129.5	-53.1	-20.3	0	0	0	122
602	S	26.2	Very low	27.2	Very low	120 Å²	120	139.2 Å²	139.2	84%	0.839	71%	0.714	S	S	*	*				172.9	59	112.5	49.6	0	0	0	0	114.9
603	L	24	Very low	27.6	Very low	173 Å²	173	136.7 Å²	136.7	91%	0.906	71%	0.705	S	S	*	*			trans	-124.3	77.8	-177.3	-136.5	84.1	0	0	0	114.9	S605	L603-S605 VanDerWaalsContact C-N 3.35Å; L603-S605 PolarHBondContact O-N 3.19Å
604	V	28	Very low	27.8	Very low	135 Å²	135	137.6 Å²	137.6	82%	0.818	70%	0.703	S	S	*	*			trans	-82	79.8	173.5	-173.7	0	0	0	0	111.1	N606	V604-N606 PolarHBondContact O-N 3.43Å
605	S	26.4	Very low	28	Very low	79 Å²	79	137 Å²	137	55%	0.552	71%	0.705	S	S	*	*			trans	36.2	81.6	144.3	46.8	0	0	0	0	119.4	L603 T607	L603-S605 VanDerWaalsContact C-N 3.35Å; L603-S605 PolarHBondContact O-N 3.19Å; S605-T607 PolarHBondContact O-N 2.91Å
606	N	26.2	Very low	28.3	Very low	135 Å²	135	136.7 Å²	136.7	72%	0.722	70%	0.704	S	S	*	*			trans	-78.3	57.8	152.8	-95.1	-81.6	0	0	0	111.1	V604 K608 K624	V604-N606 PolarHBondContact O-N 3.43Å; N606-K608 PolarHBondContact O-N 3.18Å; N606-K608 VanDerWaalsContact O-N 3.14Å; N606-K624 PolarHBondContact OD1-NZ 3.49Å
607	T	28.2	Very low	28.6	Very low	108 Å²	108	136.1 Å²	136.1	66%	0.663	70%	0.701	S	S	*	*			trans	-76.7	97.8	178	34.5	0	0	0	0	111.3	S605 L609	S605-T607 PolarHBondContact O-N 2.91Å; T607-L609 PolarHBondContact O-N 2.82Å; T607-L609 VanDerWaalsContact O-N 3.1Å
608	K	29.2	Very low	28.9	Very low	164 Å²	164	132.6 Å²	132.6	71%	0.713	69%	0.687	S	S	*	*			trans	-63.9	106.8	168.3	-67.3	178	-178.7	174.3	0	109.6	N606 Y610	N606-K608 PolarHBondContact O-N 3.18Å; N606-K608 VanDerWaalsContact O-N 3.14Å; K608-Y610 HydrophobicContact CB-CD2 4.15Å; K608-Y610 HydrophobicContact CB-CE2 3.66Å; K608-Y610 HydrophobicContact CD-CE2 4.05Å; K608-Y610 WeakPolarHBondContact O-CD2 3.38Å; K608-Y610 PolarHBondContact O-N 2.75Å; K608-Y610 VanDerWaalsContact O-N 3.11Å
609	L	27.7	Very low	28.9	Very low	109 Å²	109	131.9 Å²	131.9	57%	0.571	68%	0.682	S	S	*	*			trans	-72.5	102	168	-82.5	99.5	0	0	0	110.1	T607 Y611	T607-L609 PolarHBondContact O-N 2.82Å; T607-L609 VanDerWaalsContact O-N 3.1Å; L609-Y611 HydrophobicContact CB-CE2 4.37Å; L609-Y611 HydrophobicContact CD2-CE2 4.04Å
610	Y	26.7	Very low	29.3	Very low	122 Å²	122	129.6 Å²	129.6	48%	0.478	67%	0.671	S	S	.	*			trans	-81.1	145.4	156.9	-62.7	-93.7	0	0	0	108.7	K608 L617	K608-Y610 HydrophobicContact CB-CD2 4.15Å; K608-Y610 HydrophobicContact CB-CE2 3.66Å; K608-Y610 HydrophobicContact CD-CE2 4.05Å; K608-Y610 WeakPolarHBondContact O-CD2 3.38Å; K608-Y610 PolarHBondContact O-N 2.75Å; K608-Y610 VanDerWaalsContact O-N 3.11Å; Y610-L617 HydrophobicContact CD1-CD1 4.2Å; Y610-L617 HydrophobicContact CD1-CD2 4.45Å; Y610-L617 HydrophobicContact CD1-CG 4.26Å; Y610-L617 HydrophobicContact CE1-CD2 4.25Å
611	Y	31.3	Very low	29.6	Very low	145 Å²	145	128.9 Å²	128.9	57%	0.569	67%	0.666	S	S	*	*			trans	-121.3	132.7	169.5	-82.1	-76.4	0	0	0	109.2	L609	L609-Y611 HydrophobicContact CB-CE2 4.37Å; L609-Y611 HydrophobicContact CD2-CE2 4.04Å
612	Y	29.3	Very low	30	Very low	187 Å²	187	129 Å²	129	73%	0.733	66%	0.662	S	S	*	*			trans	-78.8	130.3	169.3	-74.5	-93.7	0	0	0	109.9
613	Q	36.1	Very low	30	Very low	131 Å²	131	126.6 Å²	126.6	61%	0.612	65%	0.65	S	S	*	*	B	Isolated β-bridge	trans	-144.4	123.1	161.7	179.9	166.1	-8.5	0	0	108.1	D615 E616	Q613-D615 VanDerWaalsContact C-N 3.26Å; Q613-D615 PolarHBondContact O-N 2.03Å; Q613-E616 PolarHBondContact O-N 3.22Å
614	D	33.5	Very low	30.2	Very low	142 Å²	142	125.5 Å²	125.5	76%	0.759	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	49.7	44	174.3	-49.1	-33.3	0	0	0	113.7	E616	D614-E616 PolarHBondContact O-N 3.41Å
615	D	34.5	Very low	30.2	Very low	156 Å²	156	126.6 Å²	126.6	83%	0.834	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.7	0.9	179.6	-62.7	-33.8	0	0	0	118.2	Q613	Q613-D615 VanDerWaalsContact C-N 3.26Å; Q613-D615 PolarHBondContact O-N 2.03Å
616	E	30.4	Very low	30.2	Very low	141 Å²	141	130.2 Å²	130.2	66%	0.659	65%	0.646	S	S	*	*	B	Isolated β-bridge	trans	-87.8	135.8	173.8	-72.2	-166.3	139.1	0	0	113.7	Q613 D614 I618	Q613-E616 PolarHBondContact O-N 3.22Å; D614-E616 PolarHBondContact O-N 3.41Å; E616-I618 HydrophobicContact CB-CG1 4.49Å; E616-I618 PolarHBondContact O-N 3.37Å; E616-I618 VanDerWaalsContact O-N 3.16Å
617	L	31.4	Very low	30.3	Very low	124 Å²	124	128.2 Å²	128.2	65%	0.649	64%	0.638	S	S	*	*			trans	-87.7	75.7	-178.8	-168.7	105	0	0	0	112.2	Y610 P619	Y610-L617 HydrophobicContact CD1-CD1 4.2Å; Y610-L617 HydrophobicContact CD1-CD2 4.45Å; Y610-L617 HydrophobicContact CD1-CG 4.26Å; Y610-L617 HydrophobicContact CE1-CD2 4.25Å; L617-P619 WeakPolarHBondContact O-CD 3.35Å
618	I	33.7	Very low	30.2	Very low	105 Å²	105	128.5 Å²	128.5	54%	0.538	64%	0.64	S	S	.	*			trans	-75.4	121.3	-178.8	-55.2	177.5	0	0	0	111.1	E616	E616-I618 HydrophobicContact CB-CG1 4.49Å; E616-I618 PolarHBondContact O-N 3.37Å; E616-I618 VanDerWaalsContact O-N 3.16Å
619	P	28.8	Very low	30	Very low	82 Å²	82	126.6 Å²	126.6	53%	0.532	64%	0.637	S	S	.	*			trans	-74.6	137	174.7	30.4	-34	0	0	0	111.4	L617 I621	L617-P619 WeakPolarHBondContact O-CD 3.35Å; P619-I621 PolarHBondContact O-N 3.42Å
620	N	33.4	Very low	29.9	Very low	107 Å²	107	128 Å²	128	57%	0.572	64%	0.644	S	S	*	*			trans	-79	105.7	175.5	-174.5	-2.5	0	0	0	111	H622	N620-H622 PolarHBondContact OD1-N 3.03Å
621	I	32.9	Very low	29.9	Very low	107 Å²	107	132 Å²	132	55%	0.549	66%	0.659	S	S	.	*			trans	-82.1	-19.1	-171.7	-59	178.1	0	0	0	112.8	Q68 P619	Q68-I621 PolarHBondContact NE2-O 3.5Å; P619-I621 PolarHBondContact O-N 3.42Å
622	H	31.9	Very low	29.7	Very low	137 Å²	137	133.9 Å²	133.9	63%	0.634	67%	0.673	S	S	*	*	S	Bend	trans	-114.9	62.7	-171.5	-81.9	-106.8	0	0	0	113.9	D175 N620	D175-H622 IonicContact OD2-ND1 3.72Å; N620-H622 PolarHBondContact OD1-N 3.03Å
623	A	26.8	Very low	29.8	Very low	70 Å²	70	134.5 Å²	134.5	58%	0.579	68%	0.68	S	S	*	*			trans	-156.2	66.7	175.1	0	0	0	0	0	115.1
624	K	27.6	Very low	29.3	Very low	149 Å²	149	137 Å²	137	65%	0.648	69%	0.692	S	S	*	*			trans	-163	84.5	155.2	-118.5	170.2	-171.4	-178.4	0	114	N606	N606-K624 PolarHBondContact OD1-NZ 3.49Å
625	L	27.3	Very low	29.1	Very low	158 Å²	158	139.4 Å²	139.4	83%	0.827	70%	0.696	S	S	*	*			trans	-117.6	72	165.8	-130	168.9	0	0	0	108.3
626	H	27.8	Very low	28.7	Very low	156 Å²	156	137.7 Å²	137.7	72%	0.722	69%	0.691	S	S	*	*			trans	-86.4	124.2	175.9	-100.5	-89.6	0	0	0	110	V628	H626-V628 PolarHBondContact O-N 2.97Å
627	V	28.1	Very low	28.8	Very low	92 Å²	92	138 Å²	138	56%	0.558	70%	0.702	S	S	*	*			trans	-66.2	124.7	169.8	-179.4	0	0	0	0	108.9	N629	V627-N629 PolarHBondContact O-N 3.19Å; V627-N629 VanDerWaalsContact O-N 3.13Å
628	V	25.5	Very low	28.6	Very low	115 Å²	115	136.5 Å²	136.5	70%	0.697	70%	0.702	S	S	*	*			trans	-86.3	79.1	-179.3	178.9	0	0	0	0	109.4	H626 I630	H626-V628 PolarHBondContact O-N 2.97Å; V628-I630 HydrophobicContact CG1-CD1 3.82Å; V628-I630 HydrophobicContact CG1-CG1 3.75Å; V628-I630 PolarHBondContact O-N 3.5Å
629	N	24.9	Very low	28.4	Very low	124 Å²	124	137.8 Å²	137.8	66%	0.663	71%	0.71	S	S	*	*			trans	-79.5	89.8	166.2	-80.2	3.2	0	0	0	109.3	V627 Y631	V627-N629 PolarHBondContact O-N 3.19Å; V627-N629 VanDerWaalsContact O-N 3.13Å; N629-Y631 PolarHBondContact O-N 3.2Å
630	I	26.2	Very low	28.4	Very low	138 Å²	138	139.9 Å²	139.9	71%	0.708	72%	0.716	S	S	*	*			trans	-77.6	98.3	166.5	-66.1	163.8	0	0	0	107.7	V628 E632	V628-I630 HydrophobicContact CG1-CD1 3.82Å; V628-I630 HydrophobicContact CG1-CG1 3.75Å; V628-I630 PolarHBondContact O-N 3.5Å; I630-E632 HydrophobicContact CG2-CG 4.03Å
631	Y	27.1	Very low	28.2	Very low	205 Å²	205	141.7 Å²	141.7	80%	0.804	72%	0.721	S	S	*	*			trans	-89.2	110.9	153	-85	-90.3	0	0	0	107.2	N629 K633	N629-Y631 PolarHBondContact O-N 3.2Å; Y631-K633 PolarHBondContact O-N 3Å
632	E	26.2	Very low	28.1	Very low	185 Å²	185	143.5 Å²	143.5	86%	0.864	73%	0.728	S	S	*	*			trans	-64.5	120.8	168.4	-70.5	-174.3	123.1	0	0	109	I630	I630-E632 HydrophobicContact CG2-CG 4.03Å
633	K	30.7	Very low	27.9	Very low	200 Å²	200	145 Å²	145	87%	0.87	73%	0.732	S	S	*	*			trans	-114.7	85.9	170.1	-122.3	179.8	176	176.5	0	107.8	Y631 K635	Y631-K633 PolarHBondContact O-N 3Å; K633-K635 PolarHBondContact O-N 2.97Å
634	E	26.2	Very low	27.9	Very low	183 Å²	183	147.3 Å²	147.3	86%	0.855	74%	0.741	S	S	*	*			trans	-52.8	128.3	172.7	-171.4	174.6	-143.9	0	0	109.6
635	K	30.7	Very low	27.9	Very low	194 Å²	194	147.2 Å²	147.2	84%	0.843	75%	0.753	S	S	*	*			trans	-139.8	97.4	175.8	-159.7	-180	-175.7	-171.9	0	110.1	K633	K633-K635 PolarHBondContact O-N 2.97Å
636	T	25	Very low	27.8	Very low	120 Å²	120	146.4 Å²	146.4	74%	0.736	75%	0.749	S	S	*	*			trans	-64.7	132.6	179.5	51.9	0	0	0	0	112.5
637	T	31.7	Very low	27.7	Very low	146 Å²	146	147.6 Å²	147.6	90%	0.896	76%	0.757	S	S	*	*			trans	-146.4	147	149.9	13.8	0	0	0	0	107.7
638	S	27.5	Very low	27.7	Very low	93 Å²	93	147.9 Å²	147.9	65%	0.65	76%	0.763	S	S	*	*			trans	-105.8	-177.9	-156.8	47.8	0	0	0	0	114.3
639	D	29.7	Very low	27.9	Very low	132 Å²	132	148.8 Å²	148.8	71%	0.706	76%	0.763	S	S	*	*			trans	79.9	135.8	156.8	-49	-46.5	0	0	0	117
640	L	29.9	Very low	28.2	Very low	126 Å²	126	152.8 Å²	152.8	66%	0.66	77%	0.769	S	S	*	*			cis	-155.6	154.9	-5.9	-148.3	76.4	0	0	0	110.5
641	Q	28.3	Very low	28.2	Very low	146 Å²	146	153 Å²	153	68%	0.682	77%	0.771	S	S	*	*			trans	24	145.7	146.1	-72.1	-179.4	47.2	0	0	121.4
642	Q	31	Very low	28.3	Very low	145 Å²	145	151.2 Å²	151.2	68%	0.678	78%	0.775	S	S	*	*			cis	-169.4	171.5	14.5	-116.7	-172.2	87.5	0	0	106.4
643	K	28.2	Very low	28.2	Very low	169 Å²	169	148 Å²	148	74%	0.735	77%	0.773	S	S	*	*			cis	-167.2	149.4	-8	-179.8	164.3	169.9	178.5	0	108.3
644	P	26.1	Very low	28.1	Very low	117 Å²	117	145.2 Å²	145.2	76%	0.76	77%	0.772	S	S	*	*			trans	-100.3	173.2	-174	38.6	-36.1	0	0	0	115.5
645	V	27	Very low	28.2	Very low	147 Å²	147	143.6 Å²	143.6	89%	0.891	77%	0.769	S	S	*	*			trans	-121.9	144.7	165.5	178	0	0	0	0	108.9
646	N	25.1	Very low	28	Very low	142 Å²	142	139 Å²	139	76%	0.759	76%	0.762	S	S	*	*			trans	-139.4	147.4	-168.8	-177.7	13.3	0	0	0	110.6
647	M	27.6	Very low	28	Very low	181 Å²	181	138.4 Å²	138.4	89%	0.892	76%	0.763	S	S	*	*			trans	-152.3	136.4	167.3	-151.6	166.6	-70.3	0	0	111
648	S	26.7	Very low	27.9	Very low	97 Å²	97	140 Å²	140	68%	0.678	76%	0.76	S	S	*	*			trans	-126.3	174.1	-173.1	59.2	0	0	0	0	111.1
649	I	31.3	Very low	27.7	Very low	134 Å²	134	144.5 Å²	144.5	69%	0.687	77%	0.77	S	S	*	*			trans	166.2	136.1	138.1	-90.5	158	0	0	0	113.3
650	R	30.5	Very low	27.7	Very low	208 Å²	208	145 Å²	145	79%	0.785	77%	0.771	S	S	*	*			trans	58.5	122.8	159.5	-74.1	159.1	-158.5	171.8	6	118.9
651	D	26.2	Very low	27.5	Very low	143 Å²	143	146 Å²	146	77%	0.765	78%	0.777	S	S	*	*				86.1	106.9	56.2	-67.1	-36.6	0	0	0	113.7
652	L	28.1	Very low	27.5	Very low	168 Å²	168	144.6 Å²	144.6	88%	0.88	78%	0.783	S	S	*	*				-165.8	139.4	128.2	-133.5	72	0	0	0	111.7
653	S	25	Very low	27.3	Very low	118 Å²	118	147.4 Å²	147.4	83%	0.825	79%	0.793	S	S	*	*			trans	-134.3	133.6	174.2	54.1	0	0	0	0	110.4
654	V	29.4	Very low	27.3	Very low	140 Å²	140	146.6 Å²	146.6	85%	0.848	80%	0.795	S	S	*	*			trans	-140.3	149.1	174.7	-175.8	0	0	0	0	109.9
655	N	27	Very low	27.3	Very low	149 Å²	149	150.6 Å²	150.6	80%	0.797	80%	0.8	S	S	*	*			trans	-91.7	169.5	-157	-100.3	-29.2	0	0	0	116.7
656	S	26.2	Very low	27.2	Very low	99 Å²	99	154.4 Å²	154.4	69%	0.692	80%	0.799	S	S	*	*			trans	70.6	111.2	137	61.9	0	0	0	0	122.1
657	S	25.3	Very low	27.4	Very low	107 Å²	107	159.2 Å²	159.2	75%	0.748	81%	0.806	S	S	*	*				58.8	103.6	127.8	67	0	0	0	0	121.1
658	E	28.9	Very low	27.3	Very low	178 Å²	178	158.2 Å²	158.2	83%	0.832	80%	0.804	S	S	*	*			trans	-125.3	126.1	139.5	-71.5	-165.6	129.2	0	0	109.9
659	Q	25	Very low	27.3	Very low	188 Å²	188	157.9 Å²	157.9	88%	0.879	81%	0.807	S	S	*	*			trans	-93.3	118.1	166.9	-72.1	-177.5	-7.5	0	0	108.8
660	I	29.2	Very low	27.2	Very low	142 Å²	142	157 Å²	157	73%	0.728	81%	0.81	S	S	*	*			trans	-116.8	117.6	174.3	-60.7	-176.7	0	0	0	110.2	C662	I660-C662 PolarHBondContact O-N 3.18Å
661	N	26.2	Very low	27.1	Very low	147 Å²	147	151.8 Å²	151.8	79%	0.786	80%	0.803	S	S	*	*			trans	-75.5	110.7	-175	-91.8	-72.7	0	0	0	112.7
662	C	27	Very low	27	Very low	118 Å²	118	153.2 Å²	153.2	80%	0.797	81%	0.81	S	S	*	*			trans	-94.6	111.2	161.3	-81	0	0	0	0	110.4	I660 I664	I660-C662 PolarHBondContact O-N 3.18Å; C662-I664 PolarHBondContact O-N 2.76Å; C662-I664 VanDerWaalsContact O-N 3.17Å
663	K	28.2	Very low	27.1	Very low	204 Å²	204	153.7 Å²	153.7	89%	0.887	81%	0.805	S	S	*	*			trans	-60.2	113.7	-172.4	-78.4	178	175.2	172.3	0	113.2	K665	K663-K665 PolarHBondContact O-N 3.28Å; K663-K665 VanDerWaalsContact O-N 3.13Å
664	I	26.6	Very low	27.1	Very low	152 Å²	152	153 Å²	153	78%	0.779	80%	0.8	S	S	*	*			trans	-63.6	109.7	165.1	-59.9	170.9	0	0	0	109	C662 R666	C662-I664 PolarHBondContact O-N 2.76Å; C662-I664 VanDerWaalsContact O-N 3.17Å; I664-R666 VanDerWaalsContact C-N 3.31Å; I664-R666 HydrophobicContact CG2-CG 4.41Å; I664-R666 PolarHBondContact O-N 3.45Å
665	K	27.6	Very low	26.9	Very low	200 Å²	200	152.4 Å²	152.4	87%	0.87	80%	0.803	S	S	*	*			trans	-71.8	87.3	166.1	-87.2	-172.7	174.5	177	0	109.5	K663 R667	K663-K665 PolarHBondContact O-N 3.28Å; K663-K665 VanDerWaalsContact O-N 3.13Å; K665-R667 PolarHBondContact O-N 3.49Å
666	R	24.7	Very low	26.9	Very low	228 Å²	228	147.9 Å²	147.9	86%	0.86	79%	0.791	S	S	*	*			trans	-55.9	107.6	165	-69.6	-179	176.8	174	-1.6	108.9	I664	I664-R666 VanDerWaalsContact C-N 3.31Å; I664-R666 HydrophobicContact CG2-CG 4.41Å; I664-R666 PolarHBondContact O-N 3.45Å
667	R	28	Very low	26.9	Very low	242 Å²	242	148.6 Å²	148.6	91%	0.913	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-83.4	132.2	157.8	-83.2	-176.1	163.8	170.6	-4.9	107.5	K665	K665-R667 PolarHBondContact O-N 3.49Å
668	L	27	Very low	27.1	Very low	160 Å²	160	148.8 Å²	148.8	84%	0.838	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-64.7	143.6	178.6	-80.3	64.3	0	0	0	109.7
669	A	26.6	Very low	27.2	Very low	91 Å²	91	148.2 Å²	148.2	75%	0.752	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-73.1	134	163.9	0	0	0	0	0	109.4
670	P	28.6	Very low	27.5	Very low	115 Å²	115	146.5 Å²	146.5	75%	0.747	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-59.1	156.6	159.2	-20.9	34.3	0	0	0	110.8
671	P	27.9	Very low	27.6	Very low	99 Å²	99	145.3 Å²	145.3	64%	0.643	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-76.5	151.8	-159.2	30	-36.9	0	0	0	115.1	F673	P671-F673 HydrophobicContact CB-CD2 3.92Å; P671-F673 HydrophobicContact CB-CE2 3.61Å; P671-F673 HydrophobicContact CG-CD2 3.97Å; P671-F673 HydrophobicContact CG-CE2 3.77Å; P671-F673 PolarHBondContact O-N 2.9Å
672	L	25.4	Very low	27.8	Very low	173 Å²	173	144.1 Å²	144.1	91%	0.906	77%	0.772	S	S	*	*			trans	-81.2	97.7	172.4	-71.3	165.5	0	0	0	111.1
673	F	28.5	Very low	27.9	Very low	177 Å²	177	149.9 Å²	149.9	78%	0.776	78%	0.779	S	S	*	*			trans	-130.8	116.8	160.2	-57.2	-74.8	0	0	0	106.1	P671	P671-F673 HydrophobicContact CB-CD2 3.92Å; P671-F673 HydrophobicContact CB-CE2 3.61Å; P671-F673 HydrophobicContact CG-CD2 3.97Å; P671-F673 HydrophobicContact CG-CE2 3.77Å; P671-F673 PolarHBondContact O-N 2.9Å
674	S	25.2	Very low	27.8	Very low	103 Å²	103	146.5 Å²	146.5	72%	0.72	77%	0.768	S	S	*	*			cis	71.9	120.9	30.6	-156.4	0	0	0	0	114.2
675	S	26.6	Very low	27.9	Very low	129 Å²	129	146.4 Å²	146.4	90%	0.902	77%	0.766	S	S	*	*			trans	60.1	155.6	178.1	75.7	0	0	0	0	118.3
676	G	26.7	Very low	27.9	Very low	53 Å²	53	141 Å²	141	55%	0.546	75%	0.747	S	S	.	*			trans	141.4	116.3	170.3	0	0	0	0	0	115	R790	G676-R790 PolarHBondContact O-NH1 3.1Å; G676-R790 VanDerWaalsContact O-NH1 3.09Å; G676-R790 PolarHBondContact O-NH2 2.86Å
677	D	26.4	Very low	28.2	Very low	114 Å²	114	137.2 Å²	137.2	61%	0.61	75%	0.749	S	S	*	*			trans	-105	156.3	163	-84.9	-94.1	0	0	0	110.6	R790	D677-R790 VanDerWaalsContact CG-CZ 3.47Å; D677-R790 IonicContact OD1-CZ 2.73Å; D677-R790 IonicContact OD1-NE 2.68Å; D677-R790 PolarHBondContact OD1-NE 3.37Å; D677-R790 IonicContact OD1-NH2 3.87Å; D677-R790 PolarHBondContact OD1-NH2 3.18Å; D677-R790 IonicContact OD2-CZ 3.07Å; D677-R790 IonicContact OD2-NH2 2.86Å; D677-R790 PolarHBondContact OD2-NH2 3.03Å
678	D	29.2	Very low	28.2	Very low	111 Å²	111	134.4 Å²	134.4	59%	0.594	74%	0.743	S	S	*	*			trans	68	166.7	163.9	-59.3	-40.4	0	0	0	121.6
679	L	31.4	Very low	28.2	Very low	166 Å²	166	132.4 Å²	132.4	87%	0.869	74%	0.743	S	S	*	*			trans	76.5	92.7	169.3	-53.4	-179.7	0	0	0	119
680	L	31.7	Very low	28.3	Very low	153 Å²	153	133.3 Å²	133.3	80%	0.801	74%	0.741	S	S	*	*			trans	-70	159.2	144.2	-143.5	83.9	0	0	0	109.6
681	P	31.1	Very low	28.3	Very low	116 Å²	116	133.6 Å²	133.6	75%	0.753	74%	0.741	S	S	*	*				-144.9	168.3	113.3	38	-24.7	0	0	0	115.4
682	D	28.6	Very low	28.2	Very low	122 Å²	122	137 Å²	137	65%	0.652	75%	0.747	S	S	*	*			trans	-60.7	147.2	176.2	-53.6	-94.6	0	0	0	114.6
683	Y	29	Very low	28.5	Very low	240 Å²	240	136.4 Å²	136.4	94%	0.941	74%	0.744	S	S	*	*			trans	-144.3	122.3	132.3	-93.8	-68.3	0	0	0	111.3
684	M	26.4	Very low	28.4	Very low	133 Å²	133	136.6 Å²	136.6	66%	0.655	75%	0.745	S	S	*	*			trans	-88.5	156.1	179.9	-61.1	162.1	52.1	0	0	111.9
685	M	30.1	Very low	28.4	Very low	149 Å²	149	142.5 Å²	142.5	73%	0.734	75%	0.753	S	S	*	*				-171.2	168.5	111.2	-85.7	-39.8	160.5	0	0	110.6
686	N	27.5	Very low	28.5	Very low	88 Å²	88	139.6 Å²	139.6	47%	0.471	74%	0.743	S	S	.	*				173.5	81.1	-50.6	173.2	11.8	0	0	0	109.5
687	T	31	Very low	28.6	Very low	148 Å²	148	145.1 Å²	145.1	91%	0.908	76%	0.758	S	S	*	*			trans	-116.2	115.4	167.9	51.1	0	0	0	0	110.2
688	K	27.4	Very low	28.7	Very low	182 Å²	182	146.5 Å²	146.5	79%	0.791	76%	0.764	S	S	*	*			trans	-88.4	137	-168.3	-60.6	174.1	-178.6	174.1	0	112.5
689	S	26.2	Very low	28.6	Very low	119 Å²	119	145.9 Å²	145.9	83%	0.832	77%	0.767	S	S	*	*			trans	-151.9	140.3	137.5	-160.6	0	0	0	0	109.1
690	P	29.4	Very low	28.6	Very low	109 Å²	109	143.8 Å²	143.8	71%	0.708	76%	0.761	S	S	*	*			trans	-123.3	-168.3	-149.8	30.9	-9.7	0	0	0	114.8
691	V	28.3	Very low	28.4	Very low	122 Å²	122	141.3 Å²	141.3	74%	0.739	75%	0.752	S	S	*	*			trans	95.1	101.9	161.1	-176.6	0	0	0	0	116.9
692	H	27	Very low	28.4	Very low	170 Å²	170	146.3 Å²	146.3	79%	0.787	76%	0.755	S	S	*	*			trans	35.6	124.7	144.3	-56.6	-101.7	0	0	0	118.7
693	L	30.5	Very low	28.5	Very low	160 Å²	160	149.7 Å²	149.7	84%	0.838	76%	0.76	S	S	*	*				-156.2	154.5	65.8	-91.7	158.2	0	0	0	113.5
694	K	25.9	Very low	28.8	Very low	181 Å²	181	143.5 Å²	143.5	79%	0.787	75%	0.749	S	S	*	*			trans	-72.1	154.4	159.9	-76	178.1	172.7	178.7	0	110.3
695	Y	26.4	Very low	29	Very low	227 Å²	227	147.1 Å²	147.1	89%	0.89	76%	0.757	S	S	*	*			trans	143.7	141.4	145.3	-74.2	-54.6	0	0	0	110.2
696	G	29	Very low	29.1	Very low	68 Å²	68	147.4 Å²	147.4	70%	0.701	76%	0.762	S	S	*	*			trans	155.9	6.6	-176.4	0	0	0	0	0	117.9	I698	G696-I698 PolarHBondContact O-N 3.46Å
697	I	27.1	Very low	29.6	Very low	169 Å²	169	148.7 Å²	148.7	87%	0.867	78%	0.778	S	S	*	*			trans	-73.8	108.6	167.8	-59.2	175.3	0	0	0	107.5
698	I	30.2	Very low	29.5	Very low	143 Å²	143	150.4 Å²	150.4	73%	0.733	78%	0.775	S	S	*	*			trans	-92.1	116.2	172.6	-59.1	175.8	0	0	0	107.7	G696 V700	G696-I698 PolarHBondContact O-N 3.46Å; I698-V700 PolarHBondContact O-N 3.25Å
699	P	26.9	Very low	29.8	Very low	99 Å²	99	148.7 Å²	148.7	64%	0.643	78%	0.775	S	S	*	*			trans	-73.6	117.3	176.7	29.3	-32.6	0	0	0	110.2	V701	P699-V701 PolarHBondContact O-N 2.72Å
700	V	30.4	Very low	30.2	Very low	122 Å²	122	152.2 Å²	152.2	74%	0.739	78%	0.778	S	S	*	*			trans	-79	89.2	173	-178.3	0	0	0	0	108.9	I698 R702	I698-V700 PolarHBondContact O-N 3.25Å; V700-R702 HydrophobicContact CG1-CG 4.4Å; V700-R702 PolarHBondContact O-N 3.31Å
701	V	28.9	Very low	30.3	Very low	101 Å²	101	154.7 Å²	154.7	61%	0.612	78%	0.784	S	S	*	*			trans	-71.7	110.2	171.9	-179.2	0	0	0	0	108.8	P699 Y703	P699-V701 PolarHBondContact O-N 2.72Å; V701-Y703 HydrophobicContact CG1-CD2 4.33Å; V701-Y703 HydrophobicContact CG1-CE2 4Å
702	R	30.6	Very low	30.7	Very low	221 Å²	221	157.8 Å²	157.8	83%	0.834	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-93.9	117.4	164.6	-66.9	-173.4	176.8	-148.8	-1.2	108.2	V700	V700-R702 HydrophobicContact CG1-CG 4.4Å; V700-R702 PolarHBondContact O-N 3.31Å
703	Y	29.6	Very low	31.1	Very low	192 Å²	192	156.6 Å²	156.6	75%	0.753	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71.6	143.6	166.4	-69.5	-85.6	0	0	0	109.5	V701	V701-Y703 HydrophobicContact CG1-CD2 4.33Å; V701-Y703 HydrophobicContact CG1-CE2 4Å
704	P	35.2	Very low	31.4	Very low	110 Å²	110	154.4 Å²	154.4	71%	0.714	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-64.5	151.1	166.2	30.5	-34	0	0	0	109.6
705	Y	32	Very low	31.9	Very low	209 Å²	209	153.1 Å²	153.1	82%	0.82	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-79.5	123.9	165.6	-83.3	-96.1	0	0	0	108.3	S707	Y705-S707 PolarHBondContact O-N 3.3Å
706	D	32.6	Very low	32.2	Very low	156 Å²	156	147.4 Å²	147.4	83%	0.834	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-65.5	120.7	164	-70.5	-44.6	0	0	0	108.8
707	S	36.5	Very low	32.4	Very low	114 Å²	114	151.7 Å²	151.7	80%	0.797	79%	0.79	S	S	*	*			trans	-88.9	100.3	172.9	54.3	0	0	0	0	109.5	Y705 D709	Y705-S707 PolarHBondContact O-N 3.3Å; S707-D709 PolarHBondContact O-N 3.41Å
708	E	29.8	Very low	32.7	Very low	184 Å²	184	149.7 Å²	149.7	86%	0.86	79%	0.786	S	S	*	*			trans	-62.9	114	157.9	-63.9	-177.3	149	0	0	108.3
709	D	32.6	Very low	32.7	Very low	146 Å²	146	147.3 Å²	147.3	78%	0.781	78%	0.782	S	S	*	*			trans	174.7	90	149.4	-93.9	-26.2	0	0	0	111.6	S707	S707-D709 PolarHBondContact O-N 3.41Å
710	Q	35.1	Very low	33.1	Very low	194 Å²	194	152.2 Å²	152.2	91%	0.907	79%	0.793	S	S	*	*			trans	169.5	144	131.5	-93.1	152	103	0	0	112
711	L	32.6	Very low	32.9	Very low	160 Å²	160	156.9 Å²	156.9	84%	0.838	80%	0.799	S	S	*	*			trans	-92.7	154.8	171.7	-60.3	89.3	0	0	0	109.9
712	E	35.8	Very low	33.2	Very low	187 Å²	187	158.2 Å²	158.2	87%	0.874	81%	0.809	S	S	*	*				-173.6	164.7	110.5	-101.1	175.2	-165	0	0	112.3
713	D	34.8	Very low	33.1	Very low	146 Å²	146	156.8 Å²	156.8	78%	0.781	81%	0.812	S	S	*	*			trans	-58.8	155.3	-161.1	-55.2	-39.2	0	0	0	118.6
714	S	36.4	Very low	33.2	Very low	114 Å²	114	152.2 Å²	152.2	80%	0.797	81%	0.814	S	S	*	*				175.8	138.1	104.6	-71.6	0	0	0	0	114.4
715	D	36.7	Very low	33.1	Very low	153 Å²	153	155.6 Å²	155.6	82%	0.818	82%	0.818	S	S	*	*			trans	-19.9	144.4	167	-50.5	-44.3	0	0	0	118.6
716	S	34	Very low	33	Very low	107 Å²	107	152.3 Å²	152.3	75%	0.748	81%	0.814	S	S	*	*				179.8	129.4	64.8	34.9	0	0	0	0	115.4
717	D	33.4	Very low	32.9	Very low	159 Å²	159	150.6 Å²	150.6	85%	0.85	82%	0.815	S	S	*	*			trans	65.1	169.7	135	-108.9	-40.8	0	0	0	126
718	V	32.8	Very low	32.4	Very low	126 Å²	126	152.5 Å²	152.5	76%	0.764	82%	0.815	S	S	*	*			trans	85.4	66.4	167.8	-155.9	0	0	0	0	119.8
719	S	30.7	Very low	32.4	Very low	93 Å²	93	151.7 Å²	151.7	65%	0.65	82%	0.816	S	S	*	*			trans	1.8	136.1	139	66.9	0	0	0	0	121.9
720	K	35	Very low	32.1	Very low	202 Å²	202	154 Å²	154	88%	0.878	82%	0.816	S	S	*	*				174.9	131.3	105.1	-96	168.7	-176.8	173	0	114.3
721	Y	26.6	Very low	31.9	Very low	221 Å²	221	150.1 Å²	150.1	87%	0.867	81%	0.81	S	S	*	*			trans	-100.3	163.2	162.8	-95.3	-86.5	0	0	0	110.8
722	P	33.4	Very low	31.6	Very low	128 Å²	128	151.6 Å²	151.6	83%	0.831	80%	0.804	S	S	*	*				-138.8	179.8	110.7	36	-22	0	0	0	114.6
723	Q	29.5	Very low	31.5	Very low	191 Å²	191	150.4 Å²	150.4	89%	0.893	80%	0.804	S	S	*	*			trans	-103.9	148.1	-164.6	-57.7	161.9	-35	0	0	114.7
724	A	31.3	Very low	31.1	Very low	96 Å²	96	153.1 Å²	153.1	79%	0.793	80%	0.804	S	S	*	*			trans	-159	101	146.2	0	0	0	0	0	108.1
725	K	32.9	Very low	30.8	Very low	182 Å²	182	156.8 Å²	156.8	79%	0.791	81%	0.809	S	S	*	*				70.2	107.6	91.2	-79.9	-162.7	170.4	-171.9	0	115.6
726	D	29.8	Very low	30.3	Very low	140 Å²	140	157.2 Å²	157.2	75%	0.749	81%	0.811	S	S	*	*			trans	49.5	112.5	136.9	-39.5	-40.4	0	0	0	117.4
727	S	30.8	Very low	30.1	Very low	120 Å²	120	161.2 Å²	161.2	84%	0.839	82%	0.815	S	S	*	*				-168.8	155.5	60.8	36.6	0	0	0	0	112.5
728	L	26.9	Very low	29.9	Very low	153 Å²	153	159.3 Å²	159.3	80%	0.801	81%	0.812	S	S	*	*			trans	-79.6	138.3	175.5	-73.1	126.4	0	0	0	111.4
729	N	30.4	Very low	29.8	Very low	167 Å²	167	160.8 Å²	160.8	89%	0.893	82%	0.815	S	S	*	*			trans	-148.7	120.8	136.1	-130.3	-19.4	0	0	0	111.6
730	Y	25.4	Very low	29.7	Very low	195 Å²	195	164 Å²	164	77%	0.765	82%	0.824	S	S	*	*			trans	-91.2	125.2	-178.4	-118.9	-97.5	0	0	0	109.1
731	S	30.8	Very low	29.4	Very low	112 Å²	112	159.8 Å²	159.8	78%	0.783	82%	0.818	S	S	*	*			trans	-136.7	112.1	166.6	-162.4	0	0	0	0	110.8
732	R	26.9	Very low	29.3	Very low	192 Å²	192	157.3 Å²	157.3	73%	0.725	82%	0.819	S	S	*	*			trans	-86.8	108.1	178	-76.6	178	170.1	168.8	-5.2	109.7
733	N	32.2	Very low	29	Very low	161 Å²	161	157.5 Å²	157.5	86%	0.861	82%	0.818	S	S	*	*			trans	-95.8	119.7	156.5	-85.5	-20.7	0	0	0	109.6
734	Y	26.7	Very low	28.8	Very low	203 Å²	203	154.2 Å²	154.2	80%	0.796	81%	0.811	S	S	*	*			trans	-80.1	126.6	166.8	-80.2	-101.9	0	0	0	108.9
735	E	31	Very low	28.7	Very low	191 Å²	191	157.5 Å²	157.5	89%	0.893	82%	0.815	S	S	*	*			trans	-143.8	151.6	157.2	-121.8	179.1	-162.3	0	0	111.4
736	N	26.7	Very low	28.4	Very low	163 Å²	163	157.2 Å²	157.2	87%	0.872	81%	0.814	S	S	*	*			trans	-87.4	122.1	-164.7	-62.4	-77.4	0	0	0	112.5
737	K	29.2	Very low	28.4	Very low	190 Å²	190	157.1 Å²	157.1	83%	0.826	81%	0.813	S	S	*	*			trans	-162.2	143.8	146.7	-114.9	175.7	-178.6	-172.9	0	112.1
738	P	28.3	Very low	28.2	Very low	120 Å²	120	157.6 Å²	157.6	78%	0.779	81%	0.806	S	S	*	*			trans	-87	128.5	166.2	33.7	-29.1	0	0	0	110.1
739	D	30.6	Very low	28.4	Very low	156 Å²	156	155.9 Å²	155.9	83%	0.834	81%	0.807	S	S	*	*			trans	-152.8	159.2	162.1	-103.9	-47.1	0	0	0	110.5
740	I	29.1	Very low	28.3	Very low	162 Å²	162	155.2 Å²	155.2	83%	0.831	80%	0.803	S	S	*	*			trans	-90.8	123.7	-168	-62.4	161.1	0	0	0	110.8
741	C	28.1	Very low	28.6	Very low	113 Å²	113	154.3 Å²	154.3	76%	0.764	81%	0.806	S	S	*	*			trans	-174.1	128.7	143.9	-110.1	0	0	0	0	112.1
742	L	26.1	Very low	28.3	Very low	169 Å²	169	160.3 Å²	160.3	89%	0.885	81%	0.812	S	S	*	*			trans	-92.5	90	166.7	-84.8	167.9	0	0	0	109.7	V744	L742-V744 PolarHBondContact O-N 2.95Å
743	T	27.2	Very low	28.4	Very low	132 Å²	132	161.5 Å²	161.5	81%	0.81	82%	0.818	S	S	*	*			trans	-82.9	98	162.8	46.9	0	0	0	0	109.7	N745	T743-N745 PolarHBondContact O-N 2.84Å
744	V	25.4	Very low	28.2	Very low	122 Å²	122	159 Å²	159	74%	0.739	81%	0.813	S	S	*	*			trans	-63.3	128.7	169.9	177.1	0	0	0	0	109	L742	L742-V744 PolarHBondContact O-N 2.95Å
745	N	28.7	Very low	28.2	Very low	164 Å²	164	156.2 Å²	156.2	88%	0.877	81%	0.81	S	S	*	*			trans	-135.9	119	159.3	-108.6	-13.7	0	0	0	108.8	T743	T743-N745 PolarHBondContact O-N 2.84Å
746	K	26.9	Very low	28	Very low	176 Å²	176	152.7 Å²	152.7	77%	0.765	80%	0.804	S	S	*	*			trans	-73	141.3	166.8	-69.3	177.7	175.2	179.5	0	108.6
747	D	29.6	Very low	28	Very low	138 Å²	138	150.4 Å²	150.4	74%	0.738	80%	0.796	S	S	*	*				179.6	120	121	-90.8	-24.6	0	0	0	109
748	N	25.9	Very low	27.9	Very low	130 Å²	130	146.9 Å²	146.9	70%	0.695	80%	0.796	S	S	*	*				64.3	89.4	80.1	-70.2	-42.1	0	0	0	113
749	S	31.5	Very low	27.8	Very low	117 Å²	117	145.8 Å²	145.8	82%	0.818	79%	0.791	S	S	*	*			trans	-131.8	100.1	156.2	48.7	0	0	0	0	110.7	Q751	S749-Q751 PolarHBondContact O-N 3.34Å
750	N	27.5	Very low	27.8	Very low	153 Å²	153	145 Å²	145	82%	0.818	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66	121.3	179.2	-68.5	-59.2	0	0	0	111.3
751	Q	32.4	Very low	27.8	Very low	176 Å²	176	145.4 Å²	145.4	82%	0.822	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-88.5	120	156.1	-76.1	-164.3	-13.1	0	0	109.6	S749	S749-Q751 PolarHBondContact O-N 3.34Å
752	R	25.5	Very low	27.9	Very low	238 Å²	238	146.8 Å²	146.8	90%	0.898	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-75.6	128.1	178.8	-62.9	175	176.8	176.2	-2.6	110.3
753	Y	27.3	Very low	27.9	Very low	217 Å²	217	146.7 Å²	146.7	85%	0.851	79%	0.785	S	S	*	*			trans	-125.9	129.3	152.6	-82.8	-80.6	0	0	0	109.2
754	S	29.2	Very low	27.9	Very low	110 Å²	110	147.4 Å²	147.4	77%	0.769	78%	0.783	S	S	*	*			trans	-100	111.4	-172.5	49.8	0	0	0	0	112.2
755	I	26.1	Very low	28.1	Very low	143 Å²	143	148.5 Å²	148.5	73%	0.733	78%	0.784	S	S	*	*			trans	20.4	125.6	140.3	-23.1	179.6	0	0	0	117.5	T757	I755-T757 HydrophobicContact CG2-CG2 3.76Å
756	P	27.4	Very low	28.2	Very low	118 Å²	118	145.4 Å²	145.4	77%	0.766	77%	0.773	S	S	*	*				-135.5	112.2	99.2	20.3	-0.7	0	0	0	112.9
757	T	25.6	Very low	28.5	Very low	114 Å²	114	142.5 Å²	142.5	70%	0.699	77%	0.766	S	S	*	*				53.1	104.4	95.1	51.4	0	0	0	0	117.9	I755	I755-T757 HydrophobicContact CG2-CG2 3.76Å
758	S	27.8	Very low	28.6	Very low	117 Å²	117	144.3 Å²	144.3	82%	0.818	77%	0.767	S	S	*	*				162.5	158.8	125	47.6	0	0	0	0	112.2
759	S	26.8	Very low	28.6	Very low	96 Å²	96	149.4 Å²	149.4	67%	0.671	78%	0.777	S	S	*	*				-171.2	111.5	-51.9	48.2	0	0	0	0	111.3
760	T	30.3	Very low	28.6	Very low	139 Å²	139	153.2 Å²	153.2	85%	0.853	78%	0.782	S	S	*	*			trans	-167.7	146.9	167.6	24.7	0	0	0	0	110.9
761	F	28.3	Very low	28.5	Very low	171 Å²	171	153.6 Å²	153.6	75%	0.75	78%	0.783	S	S	*	*			cis	-160.3	132.6	-38.2	-138	-85.6	0	0	0	108.3
762	N	31.1	Very low	28.4	Very low	143 Å²	143	150.8 Å²	150.8	77%	0.765	78%	0.783	S	S	*	*			trans	57	127.2	170.7	-64.9	-2	0	0	0	121.6
763	M	24.9	Very low	28.4	Very low	166 Å²	166	150.3 Å²	150.3	82%	0.818	78%	0.781	S	S	*	*			trans	-104.7	155.5	154.5	-88	178.3	70.1	0	0	111.1
764	L	26.9	Very low	28.4	Very low	147 Å²	147	146.5 Å²	146.5	77%	0.77	78%	0.78	S	S	*	*			trans	12.2	138.3	152.2	-72.7	132.7	0	0	0	121.8
765	D	30.1	Very low	28.3	Very low	145 Å²	145	146 Å²	146	78%	0.775	78%	0.783	S	S	*	*			trans	-106.8	121.8	150.4	-179.7	26.4	0	0	0	109.1
766	P	31	Very low	28.3	Very low	99 Å²	99	143.8 Å²	143.8	64%	0.643	78%	0.78	S	S	*	*			trans	-97.5	147.6	-172.6	36.1	-34.3	0	0	0	113.5
767	N	33.6	Very low	28.4	Very low	116 Å²	116	144.6 Å²	144.6	62%	0.62	78%	0.778	S	S	*	*			trans	-153.3	130.2	170.1	-116.5	-86.3	0	0	0	115.4
768	K	31	Very low	28.5	Very low	175 Å²	175	147.3 Å²	147.3	76%	0.761	78%	0.783	S	S	*	*			trans	60.7	102.6	161.4	-63.3	147.8	-173.9	159.7	0	116.3
769	R	27.2	Very low	28.5	Very low	237 Å²	237	150.5 Å²	150.5	89%	0.894	78%	0.782	S	S	*	*				53.5	110	77.6	-66.5	-175.4	173.1	-174.1	-1.4	114.7
770	Q	30.6	Very low	28.5	Very low	197 Å²	197	152.9 Å²	152.9	92%	0.921	79%	0.792	S	S	*	*				-162.8	148.4	110.7	-105.1	175	27.4	0	0	111.9
771	L	26.2	Very low	28.5	Very low	161 Å²	161	154.2 Å²	154.2	84%	0.843	79%	0.788	S	S	*	*			trans	-86.5	150.8	176.2	-77.8	62.3	0	0	0	110.3
772	S	28.5	Very low	28.6	Very low	117 Å²	117	153.2 Å²	153.2	82%	0.818	79%	0.791	S	S	*	*			trans	-167.9	109.7	132	-86.8	0	0	0	0	115.1
773	R	27.4	Very low	28.6	Very low	229 Å²	229	151.7 Å²	151.7	86%	0.864	79%	0.789	S	S	*	*			trans	42.6	99.8	138	-67.9	178.9	168.7	172.2	-4.3	120.4
774	T	25.3	Very low	28.9	Very low	136 Å²	136	151.2 Å²	151.2	83%	0.834	79%	0.788	S	S	*	*				15.1	122.1	114.7	57.7	0	0	0	0	119.2
775	A	27.9	Very low	29	Very low	101 Å²	101	149.1 Å²	149.1	84%	0.835	79%	0.785	S	S	*	*				-168.2	157.9	121.2	0	0	0	0	0	111.4
776	S	27.2	Very low	28.9	Very low	96 Å²	96	148.5 Å²	148.5	67%	0.671	79%	0.79	S	S	*	*			trans	-58.5	159.9	172.8	61.5	0	0	0	0	112.5
777	D	28.7	Very low	28.9	Very low	134 Å²	134	149 Å²	149	72%	0.717	80%	0.796	S	S	*	*			cis	-160.9	174.6	47.4	-119.5	-56.8	0	0	0	116.3
778	H	28.3	Very low	28.7	Very low	171 Å²	171	151 Å²	151	79%	0.792	81%	0.805	S	S	*	*			trans	-60.1	134.2	-173.3	-57.8	-91.1	0	0	0	116.9
779	K	26.7	Very low	28.5	Very low	185 Å²	185	150.4 Å²	150.4	80%	0.804	81%	0.809	S	S	*	*				169.3	113.5	115.4	-93	165.6	-178.3	173.1	0	115.1
780	V	28.4	Very low	28.5	Very low	146 Å²	146	145.7 Å²	145.7	89%	0.885	79%	0.791	S	S	*	*			trans	-145.8	120.6	149.7	-175.7	0	0	0	0	105.3
781	Q	30.1	Very low	28.2	Very low	166 Å²	166	140.4 Å²	140.4	78%	0.776	78%	0.776	S	S	*	*			cis	105.8	69.4	16.8	-160.1	159.5	-12.4	0	0	114.9
782	N	29.7	Very low	28.3	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	77%	0.772	S	S	*	*			trans	26	141.8	134.1	-94.5	27.3	0	0	0	120.3
783	P	31.2	Very low	28.1	Very low	111 Å²	111	139.3 Å²	139.3	72%	0.721	77%	0.771	S	S	*	*				-145.9	-167	88.1	37.8	-20.1	0	0	0	116
784	I	30.5	Very low	28.2	Very low	157 Å²	157	133.4 Å²	133.4	81%	0.805	76%	0.764	S	S	*	*			trans	84.3	120.1	173.6	-49.8	163.9	0	0	0	115.1
785	S	28.9	Very low	28.2	Very low	102 Å²	102	135.2 Å²	135.2	71%	0.713	76%	0.764	S	S	*	*			cis	-165.1	129.9	-26.5	47.4	0	0	0	0	109.2
786	P	28.5	Very low	28.2	Very low	133 Å²	133	137.3 Å²	137.3	86%	0.864	76%	0.759	S	S	*	*			trans	-106.3	141.4	-171.8	37.5	-32.7	0	0	0	115.9
787	S	30.9	Very low	28.2	Very low	110 Å²	110	137.3 Å²	137.3	77%	0.769	76%	0.755	S	S	*	*			trans	-166.5	138.9	162.9	57.2	0	0	0	0	110
788	L	29.6	Very low	28.1	Very low	156 Å²	156	138.6 Å²	138.6	82%	0.817	76%	0.762	S	S	*	*			cis	-122.3	157.3	3	-74.1	86.6	0	0	0	111.9
789	I	26.4	Very low	28	Very low	164 Å²	164	137 Å²	137	84%	0.841	76%	0.759	S	S	*	*			trans	-119	128.4	163.1	-63.9	170.1	0	0	0	108.1
790	R	27.7	Very low	28	Very low	137 Å²	137	133.2 Å²	133.2	52%	0.517	76%	0.757	S	S	.	*			trans	-136.7	127.4	147.2	-75.2	-170.5	-178.3	148.1	9.5	105.4	G676 D677	G676-R790 PolarHBondContact O-NH1 3.1Å; G676-R790 VanDerWaalsContact O-NH1 3.09Å; G676-R790 PolarHBondContact O-NH2 2.86Å; D677-R790 VanDerWaalsContact CG-CZ 3.47Å; D677-R790 IonicContact OD1-CZ 2.73Å; D677-R790 IonicContact OD1-NE 2.68Å; D677-R790 PolarHBondContact OD1-NE 3.37Å; D677-R790 IonicContact OD1-NH2 3.87Å; D677-R790 PolarHBondContact OD1-NH2 3.18Å; D677-R790 IonicContact OD2-CZ 3.07Å; D677-R790 IonicContact OD2-NH2 2.86Å; D677-R790 PolarHBondContact OD2-NH2 3.03Å
791	S	24.5	Very low	27.8	Very low	87 Å²	87	130.4 Å²	130.4	61%	0.608	75%	0.749	S	S	*	*				55.5	122.8	90.8	-153.4	0	0	0	0	111.1
792	V	27.5	Very low	27.6	Very low	125 Å²	125	129.8 Å²	129.8	76%	0.758	75%	0.751	S	S	*	*			cis	-134	140.6	43.1	173.7	0	0	0	0	113.4
793	T	25.2	Very low	27.4	Very low	129 Å²	129	127.7 Å²	127.7	79%	0.791	75%	0.748	S	S	*	*			trans	-80.9	118.1	161.5	45.9	0	0	0	0	111.2
794	S	28.6	Very low	27.1	Very low	105 Å²	105	133.3 Å²	133.3	73%	0.734	76%	0.755	S	S	*	*			trans	-104.1	89.6	167.1	49.3	0	0	0	0	111.3	I796	S794-I796 PolarHBondContact O-N 2.98Å
795	Q	25.1	Very low	26.8	Very low	175 Å²	175	133.5 Å²	133.5	82%	0.818	76%	0.756	S	S	*	*			trans	-67	121.3	160	-68.7	178.5	-11.4	0	0	108.5
796	I	28.1	Very low	26.6	Very low	145 Å²	145	137.1 Å²	137.1	74%	0.744	76%	0.758	S	S	*	*			trans	-118.7	90.2	157.6	-61.7	-176.1	0	0	0	107.5	S794 N798	S794-I796 PolarHBondContact O-N 2.98Å; I796-N798 PolarHBondContact O-N 3.36Å
797	T	27.3	Very low	26.3	Very low	96 Å²	96	137.8 Å²	137.8	59%	0.589	75%	0.753	S	S	*	*			trans	-69.2	119.7	163.9	47.9	0	0	0	0	109	N799	T797-N799 PolarHBondContact O-N 3.46Å
798	N	26	Very low	26.1	Very low	160 Å²	160	138.2 Å²	138.2	86%	0.856	76%	0.756	S	S	*	*			trans	-74.5	66.7	166	-85.3	-13.9	0	0	0	110.6	I796	I796-N798 PolarHBondContact O-N 3.36Å
799	N	26.5	Very low	25.9	Very low	137 Å²	137	139.6 Å²	139.6	73%	0.733	76%	0.758	S	S	*	*			trans	-101	94.6	174.1	-92.4	-5.2	0	0	0	110.3	T797	T797-N799 PolarHBondContact O-N 3.46Å
800	S	26.8	Very low	26.1	Very low	107 Å²	107	137 Å²	137	75%	0.748	75%	0.752	S	S	*	*			trans	177.5	122.8	131.2	52.8	0	0	0	0	111
801	A	24.5	Very low	26	Very low	87 Å²	87	140.5 Å²	140.5	72%	0.719	77%	0.771	S	S	*	*			trans	-79.1	145.7	151.2	0	0	0	0	0	108.7
802	N	25.6	Very low	26	Very low	153 Å²	153	142 Å²	142	82%	0.818	78%	0.777	S	S	*	*			trans	67.5	131	178.9	-46.9	-49	0	0	0	114.1
803	S	26.1	Very low	26	Very low	106 Å²	106	145.5 Å²	145.5	74%	0.741	78%	0.782	S	S	*	*			cis	-154.4	143.3	23.7	56.5	0	0	0	0	115.2
804	R	24	Very low	25.8	Very low	229 Å²	229	145.5 Å²	145.5	86%	0.864	78%	0.777	S	S	*	*			trans	24.2	119.5	139.1	-58.3	175.4	177.5	178.5	-1.3	119.1
805	I	25.7	Very low	25.5	Very low	161 Å²	161	147.6 Å²	147.6	83%	0.826	78%	0.779	S	S	*	*				172.2	98.6	123.3	-88.7	152.7	0	0	0	106.1
806	K	23.1	Very low	25.3	Very low	178 Å²	178	145 Å²	145	77%	0.774	78%	0.778	S	S	*	*				80.5	107.2	80.8	-92.8	-161.8	170.4	-169.5	0	114.9
807	I	23.6	Very low	25	Very low	147 Å²	147	144.6 Å²	144.6	75%	0.754	78%	0.783	S	S	*	*				53	113.1	128.8	-53.2	163.8	0	0	0	118.1
808	S	26.7	Very low	24.9	Very low	118 Å²	118	147.7 Å²	147.7	83%	0.825	79%	0.794	S	S	*	*				-167.9	147.3	110.3	59.7	0	0	0	0	113.8
809	E	25.3	Very low	24.8	Very low	186 Å²	186	148.6 Å²	148.6	87%	0.869	79%	0.793	S	S	*	*			trans	-84.4	178.6	-172.1	-96	-177.2	151.8	0	0	115.2
810	P	30.2	Very low	24.8	Very low	108 Å²	108	147.1 Å²	147.1	70%	0.701	79%	0.792	S	S	*	*			trans	-97.7	170.5	-163.1	39.4	-36.8	0	0	0	114.6
811	F	26.4	Very low	24.8	Very low	211 Å²	211	149.4 Å²	149.4	93%	0.925	79%	0.794	S	S	*	*			trans	-138	150.6	163.2	-88.4	-75.2	0	0	0	114.2
812	T	23.7	Very low	24.8	Very low	120 Å²	120	152.6 Å²	152.6	74%	0.736	80%	0.798	S	S	*	*			trans	-99	154.9	-179	48.7	0	0	0	0	112.1
813	K	26.7	Very low	24.9	Very low	197 Å²	197	152.3 Å²	152.3	86%	0.857	80%	0.802	S	S	*	*			trans	-171.9	110.9	143.6	-106.5	157.2	-173.4	177.8	0	115
814	N	22.7	Very low	24.9	Very low	130 Å²	130	154.6 Å²	154.6	70%	0.695	81%	0.805	S	S	*	*				40.6	122.4	129.3	-63.6	11.5	0	0	0	123.4
815	I	21.8	Very low	25.1	Very low	148 Å²	148	149.1 Å²	149.1	76%	0.759	80%	0.802	S	S	*	*				55.6	116.1	118.6	-52.8	161.3	0	0	0	119
816	C	21.5	Very low	25.2	Very low	120 Å²	120	148.1 Å²	148.1	81%	0.811	80%	0.798	S	S	*	*				-169.6	152.3	115.4	-120.2	0	0	0	0	112.7
817	T	21.7	Very low	25.5	Very low	138 Å²	138	149.3 Å²	149.3	85%	0.847	80%	0.804	S	S	*	*			trans	-124.2	123.5	179.3	48.2	0	0	0	0	111.4
818	I	24.2	Very low	25.8	Very low	161 Å²	161	150 Å²	150	83%	0.826	80%	0.803	S	S	*	*			trans	-142.8	126.8	173.6	-61.8	-175.6	0	0	0	110.3
819	Q	23.3	Very low	25.9	Very low	178 Å²	178	150 Å²	150	83%	0.832	79%	0.794	S	S	*	*			trans	-105.4	178.2	151.4	-56.6	-177	-51.8	0	0	106.9
820	P	27.1	Very low	26.1	Very low	107 Å²	107	148.8 Å²	148.8	70%	0.695	79%	0.792	S	S	*	*			cis	-141.3	-146.6	7.4	27.9	0.4	0	0	0	113
821	I	27.7	Very low	25.9	Very low	155 Å²	155	150.5 Å²	150.5	80%	0.795	79%	0.791	S	S	*	*			trans	109.4	135.7	149.7	-63.9	160.4	0	0	0	117.7
822	N	23.4	Very low	26	Very low	153 Å²	153	146.9 Å²	146.9	82%	0.818	78%	0.781	S	S	*	*			trans	-85.5	153.3	178.5	-52.6	-41.5	0	0	0	111.8
823	V	28.7	Very low	26.2	Very low	147 Å²	147	148.5 Å²	148.5	89%	0.891	78%	0.78	S	S	*	*			trans	-131.8	137.3	148.2	-179.8	0	0	0	0	108.7
824	L	24.7	Very low	26.2	Very low	155 Å²	155	146.9 Å²	146.9	81%	0.812	78%	0.779	S	S	*	*			trans	-111.6	135	-173.8	-173.5	86.2	0	0	0	110
825	S	29.3	Very low	26.4	Very low	114 Å²	114	148.2 Å²	148.2	80%	0.797	78%	0.781	S	S	*	*			trans	-165.8	140.1	155	53.5	0	0	0	0	112.3
826	N	26.8	Very low	26.5	Very low	140 Å²	140	146.4 Å²	146.4	75%	0.749	78%	0.782	S	S	*	*			trans	-90.7	150.5	-176.3	-63.4	-34.3	0	0	0	113
827	K	29.7	Very low	26.8	Very low	203 Å²	203	145.2 Å²	145.2	88%	0.883	78%	0.775	S	S	*	*				-165.3	108.9	123.2	-110.3	168.1	-176.2	177.3	0	115
828	H	30.8	Very low	27	Very low	161 Å²	161	143.6 Å²	143.6	75%	0.745	77%	0.77	S	S	*	*			trans	25.6	124.5	148.3	-75.2	-67.9	0	0	0	123.4
829	N	29	Very low	27.2	Very low	117 Å²	117	139.7 Å²	139.7	63%	0.626	75%	0.749	S	S	*	*				58.8	103.3	126	-57.6	28.3	0	0	0	119.8
830	L	29.3	Very low	27.6	Very low	161 Å²	161	134.9 Å²	134.9	84%	0.843	73%	0.729	S	S	*	*				-140.9	97.4	118.1	-167.9	71.1	0	0	0	109.7	N832	L830-N832 PolarHBondContact O-N 2.96Å
831	E	26.5	Very low	27.9	Very low	144 Å²	144	135.9 Å²	135.9	67%	0.673	73%	0.728	S	S	*	*			trans	-69.9	127.3	-179.7	-69.8	170.8	99.9	0	0	111.5
832	N	28.2	Very low	28.3	Very low	135 Å²	135	134.5 Å²	134.5	72%	0.722	72%	0.716	S	S	*	*			trans	-133.9	85.7	155.4	-89	-75.7	0	0	0	107.4	L830 I834	L830-N832 PolarHBondContact O-N 2.96Å; N832-I834 VanDerWaalsContact C-N 3.28Å; N832-I834 PolarHBondContact O-N 3.44Å
833	H	26.4	Very low	29	Very low	154 Å²	154	130.2 Å²	130.2	71%	0.713	69%	0.693	S	S	*	*			trans	-66.5	85.9	174	-103.3	-94.8	0	0	0	110.1	E835	H833-E835 HydrophobicContact CB-CG 4.5Å; H833-E835 PolarHBondContact O-N 3.26Å
834	I	27.1	Very low	29.3	Very low	163 Å²	163	131.1 Å²	131.1	84%	0.836	68%	0.68	S	S	*	*			trans	-78.1	80.3	162.1	-56.6	-179.3	0	0	0	106.6	N832 S836	N832-I834 VanDerWaalsContact C-N 3.28Å; N832-I834 PolarHBondContact O-N 3.44Å; I834-S836 PolarHBondContact O-N 3.09Å
835	E	26.7	Very low	29.9	Very low	158 Å²	158	124.8 Å²	124.8	74%	0.738	65%	0.649	S	S	*	*			trans	-61.6	126.6	173.6	-69.4	-162.7	120.6	0	0	110.3	H833 S837	H833-E835 HydrophobicContact CB-CG 4.5Å; H833-E835 PolarHBondContact O-N 3.26Å; E835-S837 PolarHBondContact O-N 3.29Å
836	S	25.5	Very low	30.3	Very low	111 Å²	111	123.8 Å²	123.8	78%	0.776	63%	0.63	S	S	*	*			trans	-66.3	105.9	172.3	54.4	0	0	0	0	109.4	I834 S838	I834-S836 PolarHBondContact O-N 3.09Å; S836-S838 PolarHBondContact O-N 3.18Å
837	S	26.5	Very low	30.9	Very low	94 Å²	94	117.6 Å²	117.6	66%	0.657	60%	0.597	S	S	*	*			trans	-67.4	88.4	-175.7	48.4	0	0	0	0	112.3	E835 I839	E835-S837 PolarHBondContact O-N 3.29Å; S837-I839 VanDerWaalsContact C-N 3.27Å; S837-I839 PolarHBondContact O-N 2.94Å
838	S	25.7	Very low	31.1	Very low	105 Å²	105	111.6 Å²	111.6	73%	0.734	57%	0.57	S	S	*	*			trans	-72.7	78.6	172.8	58.5	0	0	0	0	110.7	S836 N840	S836-S838 PolarHBondContact O-N 3.18Å; S838-N840 PolarHBondContact O-N 3.49Å
839	I	29.8	Very low	31.5	Very low	78 Å²	78	105.3 Å²	105.3	40%	0.4	54%	0.542	S	S	.	.			trans	-73.3	72.2	-179.5	-54.9	152.9	0	0	0	109.7	P12 L233 S837	P12-I839 HydrophobicContact CB-CD1 4.19Å; P12-I839 HydrophobicContact CG-CD1 3.5Å; P12-I839 HydrophobicContact CG-CG1 4.02Å; P12-I839 HydrophobicContact CG-CG2 4.41Å; L233-I839 WeakPolarHBondContact CD2-O 3.23Å; S837-I839 VanDerWaalsContact C-N 3.27Å; S837-I839 PolarHBondContact O-N 2.94Å
840	N	30.6	Very low	31.9	Very low	77 Å²	77	101.6 Å²	101.6	41%	0.412	53%	0.525	S	S	.	.			trans	-125.9	67.9	173.1	-171.9	42.8	0	0	0	110.2	E235 S838	E235-N840 PolarHBondContact OE1-ND2 3.16Å; S838-N840 PolarHBondContact O-N 3.49Å
841	I	34.3	Very low	32.1	Very low	129 Å²	129	98.4 Å²	98.4	66%	0.662	51%	0.508	S	S	*	.			trans	-137.9	123.9	-179.5	-41.6	178.7	0	0	0	110.1	N843	I841-N843 VanDerWaalsContact C-N 3.32Å; I841-N843 WeakPolarHBondContact CB-OD1 3.35Å; I841-N843 WeakPolarHBondContact CG2-OD1 3.24Å; I841-N843 PolarHBondContact O-N 2.99Å; I841-N843 VanDerWaalsContact O-N 3.09Å
842	K	34.6	Very low	32.6	Very low	126 Å²	126	98 Å²	98	55%	0.548	51%	0.505	S	S	.	.			trans	-76	86	162.2	-77.7	174.2	176.4	161.3	0	109	T237 R844	T237-K842 WeakPolarHBondContact OG1-CE 3.23Å; T237-K842 PolarHBondContact OG1-NZ 3.17Å; K842-R844 PolarHBondContact O-N 3.37Å; K842-R844 VanDerWaalsContact O-N 3.1Å
843	N	38.5	Very low	32.8	Very low	62 Å²	62	98.5 Å²	98.5	33%	0.332	51%	0.506	S	S	.	.			trans	-66.1	110.4	177.5	-71.8	-8.8	0	0	0	110.4	Y104 I841	Y104-N843 HydrophobicContact CE1-CB 3.63Å; Y104-N843 WeakPolarHBondContact CE1-O 3.06Å; Y104-N843 HydrophobicContact CE2-CB 4.1Å; Y104-N843 WeakPolarHBondContact OH-CB 3.44Å; Y104-N843 PolarHBondContact OH-ND2 3Å; I841-N843 VanDerWaalsContact C-N 3.32Å; I841-N843 WeakPolarHBondContact CB-OD1 3.35Å; I841-N843 WeakPolarHBondContact CG2-OD1 3.24Å; I841-N843 PolarHBondContact O-N 2.99Å; I841-N843 VanDerWaalsContact O-N 3.09Å
844	R	35.2	Very low	33	Very low	166 Å²	166	96.6 Å²	96.6	63%	0.626	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	107.3	160.1	-73	-179	173.4	179.8	-3.8	107.8	K842 F846	K842-R844 PolarHBondContact O-N 3.37Å; K842-R844 VanDerWaalsContact O-N 3.1Å; R844-F846 HydrophobicContact CB-CE2 4.08Å; R844-F846 HydrophobicContact CB-CZ 4.47Å
845	S	37.4	Very low	33.1	Very low	23 Å²	23	95.3 Å²	95.3	16%	0.161	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.2	167.6	52.7	0	0	0	0	109.3	V102	V102-S845 PolarHBondContact N-O 3.31Å
846	F	37.7	Very low	33.3	Very low	92 Å²	92	94 Å²	94	40%	0.404	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	134.4	166.1	-63.5	-82	0	0	0	108.8	F99 L100 Q101 R844	F99-F846 AromaticContact CD2-CD1 3.71Å; F99-F846 HydrophobicContact CD2-CD1 3.71Å; F99-F846 HydrophobicContact CD2-CE1 4.06Å; F99-F846 HydrophobicContact CE2-CD1 4.13Å; F99-F846 AromaticContact CE2-CE1 3.99Å; F99-F846 HydrophobicContact CE2-CE1 3.99Å; L100-F846 WeakPolarHBondContact O-CA 3.49Å; Q101-F846 HydrophobicContact CB-CD1 4.5Å; Q101-F846 HydrophobicContact CB-CE1 4.36Å; Q101-F846 HydrophobicContact CG-CE1 4.3Å; R844-F846 HydrophobicContact CB-CE2 4.08Å; R844-F846 HydrophobicContact CB-CZ 4.47Å
847	I	40.3	Very low	33.6	Very low	10 Å²	10	95.6 Å²	95.6	5%	0.051	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.4	-178.1	-55.3	-171.8	0	0	0	108.6	T7 L82 I83 F99 L100	T7-I847 WeakPolarHBondContact O-CD1 3.37Å; T7-I847 WeakPolarHBondContact OG1-CG1 3.45Å; L82-I847 HydrophobicContact CB-CD1 4.38Å; I83-I847 HydrophobicContact CD1-CG2 3.75Å; I83-I847 HydrophobicContact CG1-CG2 3.4Å; F99-I847 WeakPolarHBondContact CA-O 3.4Å; L100-I847 HydrophobicContact CB-CB 4.22Å; L100-I847 HydrophobicContact CD2-CB 4.48Å; L100-I847 HydrophobicContact CD2-CD1 4.32Å; L100-I847 PolarHBondContact N-O 2.91Å; L100-I847 PolarHBondContact O-N 3.06Å
848	Y	33.9	Very low	33.7	Very low	78 Å²	78	98.5 Å²	98.5	31%	0.306	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146	-172.8	-172.3	-106.1	0	0	0	111.3	Y36 P97 S850	Y36-Y848 HydrophobicContact CD2-CE1 4.31Å; Y36-Y848 HydrophobicContact CD2-CE2 4.37Å; P97-Y848 HydrophobicContact CB-CE2 4.05Å; Y848-S850 WeakPolarHBondContact CD1-OG 3.27Å; Y848-S850 VanDerWaalsContact CE1-OG 3.28Å; Y848-S850 WeakPolarHBondContact CE1-OG 3.5Å
849	D	38.5	Very low	33.9	Very low	29 Å²	29	100.8 Å²	100.8	16%	0.155	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.2	169.4	-164.6	1.1	0	0	0	110.7	K87 T92 N851	K87-D849 WeakPolarHBondContact CE-OD1 3.5Å; K87-D849 IonicContact NZ-OD1 2.83Å; K87-D849 PolarHBondContact NZ-OD1 3.35Å; T92-D849 PolarHBondContact OG1-OD2 2.95Å; D849-N851 PolarHBondContact OD1-N 2.94Å
850	S	36.3	Very low	34.1	Very low	39 Å²	39	105.1 Å²	105.1	27%	0.273	55%	0.546	S	S	.	.			trans	-101.2	-7.9	-171.3	-47.7	0	0	0	0	113.6	Y848 K852	Y848-S850 WeakPolarHBondContact CD1-OG 3.27Å; Y848-S850 VanDerWaalsContact CE1-OG 3.28Å; Y848-S850 WeakPolarHBondContact CE1-OG 3.5Å; S850-K852 PolarHBondContact O-N 2.98Å
851	N	35.2	Very low	34	Very low	93 Å²	93	109 Å²	109	50%	0.497	57%	0.567	S	S	.	*			trans	-89.1	63.7	-151.8	-73.4	25.4	0	0	0	114.3	K87 D849	K87-N851 VanDerWaalsContact NZ-CG 3.33Å; K87-N851 PolarHBondContact NZ-ND2 2.9Å; K87-N851 VanDerWaalsContact NZ-ND2 3.15Å; K87-N851 PolarHBondContact NZ-OD1 3.08Å; D849-N851 PolarHBondContact OD1-N 2.94Å
852	K	35.5	Very low	33.8	Very low	137 Å²	137	110.7 Å²	110.7	60%	0.596	58%	0.577	S	S	*	*			trans	-160.2	68.4	166	-109.6	163.3	-168.5	167.9	0	112.7	S850	S850-K852 PolarHBondContact O-N 2.98Å
853	L	32.7	Very low	33.4	Very low	144 Å²	144	108.7 Å²	108.7	75%	0.754	58%	0.578	S	S	*	*			trans	-109.8	143.3	157	-88.8	83.8	0	0	0	109.7
854	P	30.6	Very low	32.9	Very low	115 Å²	115	112.6 Å²	112.6	75%	0.747	60%	0.599	S	S	*	*			trans	-70.7	139.8	172.3	30.5	-33.8	0	0	0	110.7	V856	P854-V856 PolarHBondContact O-N 3.37Å
855	T	28.6	Very low	32.6	Very low	135 Å²	135	109.7 Å²	109.7	83%	0.828	60%	0.604	S	S	*	*			trans	-70.2	112.5	169.8	47	0	0	0	0	109.7
856	V	31.3	Very low	32.1	Very low	132 Å²	132	116.7 Å²	116.7	80%	0.8	64%	0.636	S	S	*	*			trans	-85.9	133.3	162.1	-179.4	0	0	0	0	107	P854	P854-V856 PolarHBondContact O-N 3.37Å
857	N	31.6	Very low	31.5	Very low	144 Å²	144	117.8 Å²	117.8	77%	0.77	66%	0.656	S	S	*	*			trans	-69.2	140.3	-179.8	-71.2	-15.9	0	0	0	111	N859	N857-N859 PolarHBondContact O-N 3.48Å
858	D	29.4	Very low	31	Very low	154 Å²	154	129.5 Å²	129.5	82%	0.824	70%	0.699	S	S	*	*			trans	-66.6	113.2	161.6	-61.1	-65	0	0	0	109.4
859	N	30	Very low	30.6	Very low	154 Å²	154	130.9 Å²	130.9	82%	0.824	72%	0.721	S	S	*	*			trans	172.1	102.4	152	-89.6	-28.3	0	0	0	108.6	N857	N857-N859 PolarHBondContact O-N 3.48Å
860	D	33.1	Very low	30.2	Very low	169 Å²	169	137.8 Å²	137.8	90%	0.904	76%	0.756	S	S	*	*			trans	179.1	119	134.4	-93.2	-18	0	0	0	109
861	D	29.4	Very low	29.6	Very low	158 Å²	158	143.3 Å²	143.3	85%	0.845	78%	0.778	S	S	*	*			trans	-70.2	135.1	171.4	-71.6	-68.9	0	0	0	110.4
862	L	30	Very low	29.5	Very low	165 Å²	165	147.4 Å²	147.4	86%	0.864	81%	0.81	S	S	*	*				-161.4	135.9	116.5	-128.1	68.2	0	0	0	115.2
863	S	27	Very low	29.2	Very low	84 Å²	84	148 Å²	148	59%	0.587	82%	0.82	S	S	*	*			trans	-53.6	162.3	175.6	58.8	0	0	0	0	118.4
864	N	27.7	Very low	29	Very low	143 Å²	143	148.2 Å²	148.2	77%	0.765	82%	0.824	S	S	*	*			trans	104	114.1	141	-65.9	-33.1	0	0	0	120.6
865	S	28.1	Very low	28.9	Very low	105 Å²	105	150 Å²	150	73%	0.734	83%	0.828	S	S	*	*			trans	73.1	152.3	154.8	84.1	0	0	0	0	117
866	M	27.4	Very low	28.9	Very low	170 Å²	170	150.9 Å²	150.9	84%	0.837	83%	0.828	S	S	*	*			cis	-142.9	128.9	2	-150.2	173.8	-62.3	0	0	110.9
867	S	25.3	Very low	28.8	Very low	116 Å²	116	152.1 Å²	152.1	81%	0.811	83%	0.83	S	S	*	*			trans	-76.5	124.8	179.4	54.8	0	0	0	0	112.1
868	R	28.7	Very low	28.6	Very low	255 Å²	255	152.6 Å²	152.6	96%	0.962	83%	0.834	S	S	*	*			trans	-141.2	118	155	-102.1	177.9	-171.1	-151.6	-1.3	111.4
869	S	26.2	Very low	28.5	Very low	108 Å²	108	152.5 Å²	152.5	76%	0.755	84%	0.835	S	S	*	*			trans	-78.7	151.6	170	161.5	0	0	0	0	110.4
870	L	29.7	Very low	28.4	Very low	173 Å²	173	152.4 Å²	152.4	91%	0.906	84%	0.836	S	S	*	*				-164.5	110.8	130	-103.8	159.3	0	0	0	110.3
871	Q	24.7	Very low	28	Very low	156 Å²	156	151 Å²	151	73%	0.729	83%	0.83	S	S	*	*			trans	-93.9	161	165.6	-103.8	-173.9	-91.5	0	0	109.5
872	P	32.4	Very low	27.9	Very low	179 Å²	179	150.4 Å²	150.4	100%	1.162	83%	0.828	S	S	*	*				-92.1	0	78.7	-22.9	36.5	0	0	0	115.9

Retrieved 872 of 872 residues in 112 ms (Link to these results)

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