A0A3Q0KQV1_SCHMA Loading...

SH3 domain-containing protein

AlphaFold DB (A0A5K4ETL7), UniProt , Accession A0A3Q0KQV1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 716 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	31.3	Very low	239 Å²	239	158.9 Å²	158.9	100%	1.177	82%	0.817	S	S	*	*				0	109.7	0	-80.1	179.3	163	0	0	107.5	N3	M1-N3 PolarHBondContact O-N 3.41Å
2	T	30.1	Very low	31.8	Very low	117 Å²	117	155.8 Å²	155.8	72%	0.718	82%	0.815	S	S	*	*			trans	-79.5	105.3	-168.4	35.8	0	0	0	0	111.1	Y4	T2-Y4 PolarHBondContact O-N 3.44Å
3	N	30.7	Very low	33.6	Very low	155 Å²	155	153.2 Å²	153.2	83%	0.829	80%	0.801	S	S	*	*			trans	-82.1	95.2	171.3	-85.3	-29.5	0	0	0	109.5	M1 Q5	M1-N3 PolarHBondContact O-N 3.41Å; N3-Q5 PolarHBondContact O-N 3.29Å; N3-Q5 VanDerWaalsContact O-N 3.09Å
4	Y	31.6	Very low	36.2	Very low	206 Å²	206	150.9 Å²	150.9	81%	0.808	78%	0.781	S	S	*	*			trans	-68.5	93.9	163.9	-72.9	-90	0	0	0	109.3	T2	T2-Y4 PolarHBondContact O-N 3.44Å
5	Q	30.1	Very low	39.4	Very low	181 Å²	181	142.8 Å²	142.8	85%	0.846	74%	0.741	S	S	*	*			trans	-96.5	75.6	161.4	-72.7	-165.5	-23.8	0	0	108.4	N3 N7	N3-Q5 PolarHBondContact O-N 3.29Å; N3-Q5 VanDerWaalsContact O-N 3.09Å; Q5-N7 PolarHBondContact O-N 3.48Å
6	K	30.2	Very low	42.6	Very low	185 Å²	185	136.1 Å²	136.1	80%	0.804	70%	0.704	S	S	*	*			trans	-68.9	125.6	170.2	-146.4	172.9	-174.4	179.2	0	106.9	V8	K6-V8 VanDerWaalsContact C-N 3.27Å; K6-V8 PolarHBondContact O-N 3.44Å
7	N	26.5	Very low	45.6	Very low	167 Å²	167	131.2 Å²	131.2	89%	0.893	68%	0.679	S	S	*	*			trans	-57.3	85.9	173.7	-76.5	-42.1	0	0	0	109.9	Q5 G9	Q5-N7 PolarHBondContact O-N 3.48Å; N7-G9 PolarHBondContact O-N 3.39Å; N7-G9 VanDerWaalsContact O-N 3.07Å
8	V	34.3	Very low	48.3	Very low	120 Å²	120	123.9 Å²	123.9	73%	0.727	64%	0.642	S	S	*	*			trans	-73.4	101.2	167.2	-177.4	0	0	0	0	105.1	K6 I10	K6-V8 VanDerWaalsContact C-N 3.27Å; K6-V8 PolarHBondContact O-N 3.44Å; V8-I10 PolarHBondContact O-N 2.69Å
9	G	28.6	Very low	50.8	Low	61 Å²	61	122.9 Å²	122.9	63%	0.629	63%	0.629	S	S	*	*			trans	-48.2	116.4	165.6	0	0	0	0	0	107.4	N7 Q11	N7-G9 PolarHBondContact O-N 3.39Å; N7-G9 VanDerWaalsContact O-N 3.07Å; G9-Q11 PolarHBondContact O-N 3.37Å
10	I	34.7	Very low	53.1	Low	155 Å²	155	116.9 Å²	116.9	80%	0.795	60%	0.598	S	S	*	*			trans	-72.6	84.7	-171.2	-55.1	169.4	0	0	0	106.8	V8	V8-I10 PolarHBondContact O-N 2.69Å
11	Q	32.5	Very low	55.2	Low	162 Å²	162	113.9 Å²	113.9	76%	0.757	58%	0.583	S	S	*	*			trans	-58.2	137.3	157.4	-66.3	-177	12.2	0	0	106.4	G9 L13	G9-Q11 PolarHBondContact O-N 3.37Å; Q11-L13 PolarHBondContact O-N 3.36Å
12	P	37.9	Very low	58.1	Low	122 Å²	122	109.5 Å²	109.5	79%	0.792	55%	0.554	S	S	*	*			trans	-55.2	111.1	-179.8	22.3	-31.8	0	0	0	108.2	K14	P12-K14 PolarHBondContact O-N 2.84Å; P12-K14 VanDerWaalsContact O-N 3.07Å
13	L	54.7	Low	61.1	Low	122 Å²	122	108.9 Å²	108.9	64%	0.639	55%	0.547	S	S	*	.			trans	-55.5	121.1	-179.6	-73.1	166.5	0	0	0	107.4	Q11 T15	Q11-L13 PolarHBondContact O-N 3.36Å; L13-T15 PolarHBondContact O-N 3.23Å
14	K	70.4	Confident	64.2	Low	121 Å²	121	101.9 Å²	101.9	53%	0.526	51%	0.509	S	S	.	.			trans	-61	103.4	178.5	-172.3	171	-175.8	176.7	0	107.8	P12 F16 V75	P12-K14 PolarHBondContact O-N 2.84Å; P12-K14 VanDerWaalsContact O-N 3.07Å; K14-F16 HydrophobicContact CB-CE2 4.34Å; K14-F16 HydrophobicContact CD-CZ 3.96Å; K14-F16 HydrophobicContact CG-CE2 4.15Å; K14-F16 HydrophobicContact CG-CZ 3.98Å; K14-F16 VanDerWaalsContact O-CD2 3.27Å; K14-F16 WeakPolarHBondContact O-CD2 3.45Å; K14-F16 VanDerWaalsContact O-CE2 3.23Å; K14-F16 WeakPolarHBondContact O-CE2 3.43Å; K14-V75 HydrophobicContact CD-CG1 4.05Å; K14-V75 VanDerWaalsContact CE-CG1 3.43Å; K14-V75 HydrophobicContact CG-CG1 3.43Å; K14-V75 VanDerWaalsContact CG-CG1 3.43Å
15	T	84.1	Confident	67	Low	29 Å²	29	99 Å²	99	18%	0.178	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.6	-180	48	0	0	0	0	110.1	L13 L43 V75 V76	L13-T15 PolarHBondContact O-N 3.23Å; T15-L43 HydrophobicContact CG2-CD2 3.62Å; T15-V75 WeakPolarHBondContact O-CG1 3.4Å; T15-V76 CarbonylContact O-C 3.49Å; T15-V76 WeakPolarHBondContact O-CA 3.28Å; T15-V76 PolarHBondContact O-N 2.91Å; T15-V76 PolarHBondContact OG1-O 2.74Å; T15-V76 VanDerWaalsContact OG1-O 3.04Å
16	F	90.6	Very high	69.8	Low	35 Å²	35	92.2 Å²	92.2	15%	0.154	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	150.4	177.1	-60.4	-95.9	0	0	0	110.3	K14 T41 V42 L72 G74 V75	K14-F16 HydrophobicContact CB-CE2 4.34Å; K14-F16 HydrophobicContact CD-CZ 3.96Å; K14-F16 HydrophobicContact CG-CE2 4.15Å; K14-F16 HydrophobicContact CG-CZ 3.98Å; K14-F16 VanDerWaalsContact O-CD2 3.27Å; K14-F16 WeakPolarHBondContact O-CD2 3.45Å; K14-F16 VanDerWaalsContact O-CE2 3.23Å; K14-F16 WeakPolarHBondContact O-CE2 3.43Å; F16-T41 CarbonylContact O-C 3.55Å; F16-T41 WeakPolarHBondContact O-CA 3.24Å; F16-V42 HydrophobicContact CB-CB 4.18Å; F16-V42 PolarHBondContact N-O 2.97Å; F16-V42 PolarHBondContact O-N 2.95Å; F16-L72 HydrophobicContact CB-CD2 4.07Å; F16-L72 HydrophobicContact CB-CG 4.19Å; F16-L72 HydrophobicContact CD1-CD2 3.63Å; F16-L72 HydrophobicContact CE1-CD2 4.25Å; F16-L72 HydrophobicContact CG-CD2 3.92Å; F16-G74 WeakPolarHBondContact CA-O 3.4Å; F16-V75 HydrophobicContact CD1-CB 4.28Å; F16-V75 HydrophobicContact CD1-CG1 4.18Å; F16-V75 HydrophobicContact CD1-CG2 3.74Å; F16-V75 HydrophobicContact CE1-CB 4.46Å; F16-V75 HydrophobicContact CE1-CG1 4.23Å; F16-V75 HydrophobicContact CE1-CG2 3.63Å
17	L	94.2	Very high	72.5	Confident	53 Å²	53	92.6 Å²	92.6	28%	0.277	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129	167.8	-172.7	67.4	0	0	0	108.4	L39 I73 G74 V76	L17-L39 HydrophobicContact CD1-CB 4.38Å; L17-I73 PolarHBondContact O-N 2.9Å; L17-G74 PolarHBondContact N-O 3.22Å; L17-G74 PolarHBondContact O-N 3.32Å; L17-V76 HydrophobicContact CB-CG2 3.92Å
18	A	94.4	Very high	75.2	Confident	0 Å²	0	88.6 Å²	88.6	0%	0	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155	176.3	0	0	0	0	0	111.2	I40 V42 L70 E71 L72	A18-I40 PolarHBondContact N-O 3.2Å; A18-I40 PolarHBondContact O-N 3.41Å; A18-V42 HydrophobicContact CB-CG2 3.61Å; A18-L70 HydrophobicContact CB-CB 4.19Å; A18-E71 CarbonylContact C-O 3.54Å; A18-E71 WeakPolarHBondContact CA-O 3.45Å; A18-E71 WeakPolarHBondContact CB-O 3.35Å; A18-L72 HydrophobicContact CB-CD1 4.27Å
19	R	96.2	Very high	77.6	Confident	106 Å²	106	88.7 Å²	88.7	40%	0.4	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.4	171.3	167.9	175.3	67.1	-164.7	2.1	109.9	I21 D38 L39 E71 I73	R19-I21 PolarHBondContact O-N 2.94Å; R19-D38 CarbonylContact C-O 3.43Å; R19-D38 WeakPolarHBondContact CA-O 3.39Å; R19-L39 HydrophobicContact CB-CD2 4.12Å; R19-E71 IonicContact CZ-OE2 3.26Å; R19-E71 PolarHBondContact N-O 2.95Å; R19-E71 IonicContact NE-OE2 3.24Å; R19-E71 PolarHBondContact NE-OE2 3.21Å; R19-E71 IonicContact NH2-OE1 3.91Å; R19-E71 IonicContact NH2-OE2 3.18Å; R19-E71 PolarHBondContact NH2-OE2 2.92Å; R19-E71 PolarHBondContact O-N 3.18Å; R19-I73 HydrophobicContact CB-CD1 3.27Å; R19-I73 HydrophobicContact CB-CG1 3.98Å; R19-I73 HydrophobicContact CG-CD1 4.38Å
20	A	96.5	Very high	80.4	Confident	1 Å²	1	93.2 Å²	93.2	1%	0.008	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	121.4	171.4	0	0	0	0	0	110.3	F34 S35 G37 D38 I40 R69 L70	A20-F34 HydrophobicContact CB-CD2 3.44Å; A20-F34 VanDerWaalsContact CB-CD2 3.44Å; A20-F34 HydrophobicContact CB-CE2 3.77Å; A20-F34 HydrophobicContact CB-CG 4.43Å; A20-S35 WeakPolarHBondContact CB-O 3.39Å; A20-G37 PolarHBondContact O-N 3.16Å; A20-D38 HydrophobicContact CB-CB 4.34Å; A20-D38 PolarHBondContact N-O 2.72Å; A20-I40 HydrophobicContact CB-CD1 4.16Å; A20-R69 WeakPolarHBondContact CA-O 3.37Å; A20-L70 HydrophobicContact CB-CD2 4.41Å
21	I	95.8	Very high	83.1	Confident	54 Å²	54	86.7 Å²	86.7	28%	0.277	43%	0.434	S	S	.	.	S	Bend	trans	-92.3	-16.8	175.2	51.3	164.6	0	0	0	112.7	R19 R36 R69 E71	R19-I21 PolarHBondContact O-N 2.94Å; I21-R36 WeakPolarHBondContact O-CD 3.48Å; I21-R36 WeakPolarHBondContact O-CG 3.31Å; I21-R36 PolarHBondContact O-NE 3.12Å; I21-R69 VanDerWaalsContact CG1-C 3.49Å; I21-R69 WeakPolarHBondContact CG1-O 3.41Å; I21-R69 PolarHBondContact N-O 2.91Å; I21-E71 HydrophobicContact CG2-CB 3.65Å
22	Y	95.3	Very high	86	Confident	147 Å²	147	79 Å²	79	58%	0.576	40%	0.398	S	S	*	.	S	Bend	trans	-136.2	160.9	175.4	-61.2	-73.9	0	0	0	110.7	F34 R69	Y22-F34 WeakPolarHBondContact O-CE2 3.23Å; Y22-R69 HydrophobicContact CD2-CG 4.43Å
23	D	94.5	Very high	88.7	Confident	105 Å²	105	77 Å²	77	56%	0.561	38%	0.381	S	S	*	.			trans	-70.6	147.2	168.5	-59.1	-34.2	0	0	0	110.5	S35 R36	D23-S35 VanDerWaalsContact OD1-CA 3.23Å; D23-S35 WeakPolarHBondContact OD1-CA 3.3Å; D23-R36 PolarHBondContact OD1-N 2.85Å
24	N	94.6	Very high	90.6	Very high	7 Å²	7	71.5 Å²	71.5	4%	0.037	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-131.1	120.4	172.4	-163.2	64.1	0	0	0	110.2	E31 L32 N33 F34 R69	N24-E31 PolarHBondContact ND2-OE1 2.82Å; N24-E31 PolarHBondContact OD1-OE1 3.13Å; N24-L32 PolarHBondContact ND2-O 3.27Å; N24-N33 WeakPolarHBondContact O-CA 3.49Å; N24-F34 HydrophobicContact CB-CD1 3.84Å; N24-F34 HydrophobicContact CB-CD2 3.87Å; N24-F34 HydrophobicContact CB-CE1 3.45Å; N24-F34 VanDerWaalsContact CB-CE1 3.45Å; N24-F34 HydrophobicContact CB-CE2 3.52Å; N24-F34 HydrophobicContact CB-CG 4.05Å; N24-F34 HydrophobicContact CB-CZ 3.3Å; N24-F34 PolarHBondContact N-O 3.14Å; N24-F34 PolarHBondContact O-N 3.42Å; N24-R69 WeakPolarHBondContact OD1-CD 3.34Å; N24-R69 PolarHBondContact OD1-NH1 3.2Å
25	L	91.9	Very high	91.8	Very high	147 Å²	147	69 Å²	69	77%	0.77	35%	0.349	S	S	*	.			trans	-102.2	117.3	170.1	-66.9	175.4	0	0	0	108	E27 N33	L25-E27 PolarHBondContact O-N 3.37Å; L25-N33 WeakPolarHBondContact CA-OD1 3.14Å
26	S	88.9	Confident	92.4	Very high	38 Å²	38	76.6 Å²	76.6	27%	0.266	38%	0.375	S	S	.	.			trans	-67.1	122.3	-177.4	65.2	0	0	0	0	110.5	E31 N33	S26-E31 WeakPolarHBondContact CA-OE2 3.47Å; S26-E31 WeakPolarHBondContact CB-O 3.2Å; S26-N33 WeakPolarHBondContact CB-OD1 3.24Å; S26-N33 PolarHBondContact N-OD1 2.79Å; S26-N33 VanDerWaalsContact OG-CG 3.26Å; S26-N33 PolarHBondContact OG-ND2 3.28Å; S26-N33 PolarHBondContact OG-OD1 3.41Å; S26-N33 VanDerWaalsContact OG-OD1 3.05Å
27	E	85.7	Confident	92.5	Very high	193 Å²	193	77 Å²	77	90%	0.902	39%	0.389	S	S	*	.	S	Bend	trans	-87.7	-20.2	171.5	-65.9	-178.8	-174.4	0	0	111.5	L25 E31	L25-E27 PolarHBondContact O-N 3.37Å; E27-E31 PolarHBondContact N-OE2 2.82Å
28	N	84.2	Confident	92.6	Very high	83 Å²	83	76 Å²	76	44%	0.444	38%	0.384	S	S	.	.	S	Bend	trans	-123	141.6	-178.1	-168.2	-46	0	0	0	110.8	K30 E31	N28-K30 PolarHBondContact O-N 3.2Å; N28-K30 PolarHBondContact OD1-N 3.08Å; N28-K30 VanDerWaalsContact OD1-N 3.13Å; N28-E31 HydrophobicContact CB-CB 4.44Å; N28-E31 WeakPolarHBondContact O-CB 3.32Å; N28-E31 PolarHBondContact O-N 3.5Å
29	P	83.7	Confident	92.6	Very high	122 Å²	122	80.9 Å²	80.9	79%	0.792	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-19.2	175.9	22.5	-36.5	0	0	0	115.4	E31	P29-E31 VanDerWaalsContact C-N 3.34Å
30	K	88	Confident	92.5	Very high	155 Å²	155	75.9 Å²	75.9	67%	0.674	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-15.7	173.8	-66.2	-174.9	178.6	-179.1	0	113.4	N28 G63 I64	N28-K30 PolarHBondContact O-N 3.2Å; N28-K30 PolarHBondContact OD1-N 3.08Å; N28-K30 VanDerWaalsContact OD1-N 3.13Å; K30-G63 WeakPolarHBondContact O-CA 3.44Å; K30-I64 HydrophobicContact CB-CG1 4.49Å; K30-I64 WeakPolarHBondContact O-CG1 3.49Å; K30-I64 PolarHBondContact O-N 3.05Å
31	E	92	Very high	92.4	Very high	18 Å²	18	78.2 Å²	78.2	8%	0.084	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-88.9	143.8	-178.2	-176.3	179.3	-167.7	0	0	111.3	N24 S26 E27 N28 P29 W53 I64	N24-E31 PolarHBondContact ND2-OE1 2.82Å; N24-E31 PolarHBondContact OD1-OE1 3.13Å; S26-E31 WeakPolarHBondContact CA-OE2 3.47Å; S26-E31 WeakPolarHBondContact CB-O 3.2Å; E27-E31 PolarHBondContact N-OE2 2.82Å; N28-E31 HydrophobicContact CB-CB 4.44Å; N28-E31 WeakPolarHBondContact O-CB 3.32Å; N28-E31 PolarHBondContact O-N 3.5Å; P29-E31 VanDerWaalsContact C-N 3.34Å; E31-W53 HydrophobicContact CG-CZ3 4.13Å; E31-I64 WeakPolarHBondContact CA-O 3.31Å; E31-I64 HydrophobicContact CB-CG1 4.49Å
32	L	93.4	Very high	92.2	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-86.9	136.2	179.9	-66	174.6	0	0	0	112.3	N24 F34 C56 I58 Q61 I64	N24-L32 PolarHBondContact ND2-O 3.27Å; L32-F34 HydrophobicContact CB-CD1 4.25Å; L32-C56 HydrophobicContact CD1-CB 3.78Å; L32-C56 WeakPolarHBondContact CD1-O 3.31Å; L32-I58 HydrophobicContact CB-CG2 4.42Å; L32-I58 HydrophobicContact CD1-CG2 4.08Å; L32-I58 HydrophobicContact CD2-CG2 4.03Å; L32-I58 HydrophobicContact CG-CG2 4.41Å; L32-Q61 HydrophobicContact CD2-CB 4.23Å; L32-Q61 HydrophobicContact CD2-CG 3.79Å; L32-I64 PolarHBondContact N-O 2.95Å
33	N	93.4	Very high	92	Very high	82 Å²	82	71.3 Å²	71.3	44%	0.439	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-84.7	131	165.2	-75.9	-49.2	0	0	0	110.1	N24 L25 S26	N24-N33 WeakPolarHBondContact O-CA 3.49Å; L25-N33 WeakPolarHBondContact CA-OD1 3.14Å; S26-N33 WeakPolarHBondContact CB-OD1 3.24Å; S26-N33 PolarHBondContact N-OD1 2.79Å; S26-N33 VanDerWaalsContact OG-CG 3.26Å; S26-N33 PolarHBondContact OG-ND2 3.28Å; S26-N33 PolarHBondContact OG-OD1 3.41Å; S26-N33 VanDerWaalsContact OG-OD1 3.05Å
34	F	95.5	Very high	91.7	Very high	6 Å²	6	70 Å²	70	3%	0.026	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-154.9	155.7	173.5	54.5	-96.1	0	0	0	111	A20 Y22 N24 L32 D38 I40 I58 A65 R69 L70	A20-F34 HydrophobicContact CB-CD2 3.44Å; A20-F34 VanDerWaalsContact CB-CD2 3.44Å; A20-F34 HydrophobicContact CB-CE2 3.77Å; A20-F34 HydrophobicContact CB-CG 4.43Å; Y22-F34 WeakPolarHBondContact O-CE2 3.23Å; N24-F34 HydrophobicContact CB-CD1 3.84Å; N24-F34 HydrophobicContact CB-CD2 3.87Å; N24-F34 HydrophobicContact CB-CE1 3.45Å; N24-F34 VanDerWaalsContact CB-CE1 3.45Å; N24-F34 HydrophobicContact CB-CE2 3.52Å; N24-F34 HydrophobicContact CB-CG 4.05Å; N24-F34 HydrophobicContact CB-CZ 3.3Å; N24-F34 PolarHBondContact N-O 3.14Å; N24-F34 PolarHBondContact O-N 3.42Å; L32-F34 HydrophobicContact CB-CD1 4.25Å; F34-D38 HydrophobicContact CB-CB 4.27Å; F34-I40 HydrophobicContact CB-CD1 3.93Å; F34-I40 HydrophobicContact CD1-CD1 3.8Å; F34-I40 HydrophobicContact CD2-CD1 3.92Å; F34-I40 HydrophobicContact CE1-CD1 4.23Å; F34-I40 HydrophobicContact CE2-CD1 4.31Å; F34-I40 HydrophobicContact CG-CD1 3.62Å; F34-I40 HydrophobicContact CZ-CD1 4.45Å; F34-I58 HydrophobicContact CB-CD1 3.8Å; F34-A65 HydrophobicContact CE1-CB 3.75Å; F34-A65 HydrophobicContact CZ-CB 4.37Å; F34-R69 HydrophobicContact CE2-CB 4.07Å; F34-R69 HydrophobicContact CZ-CB 4.03Å; F34-L70 HydrophobicContact CE2-CD2 4.08Å; F34-L70 HydrophobicContact CZ-CD2 3.98Å
35	S	95.9	Very high	91.3	Very high	67 Å²	67	75.5 Å²	75.5	47%	0.469	39%	0.391	S	S	.	.			trans	-106.8	155.6	175.7	-56.7	0	0	0	0	110.6	A20 D23 G37 D38	A20-S35 WeakPolarHBondContact CB-O 3.39Å; D23-S35 VanDerWaalsContact OD1-CA 3.23Å; D23-S35 WeakPolarHBondContact OD1-CA 3.3Å; S35-G37 PolarHBondContact O-N 3.31Å; S35-D38 PolarHBondContact N-OD2 3.38Å; S35-D38 VanDerWaalsContact O-CB 3.25Å; S35-D38 WeakPolarHBondContact O-CB 3.34Å; S35-D38 PolarHBondContact O-N 3.41Å
36	R	96	Very high	90.6	Very high	189 Å²	189	72.2 Å²	72.2	71%	0.713	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	129.4	174.4	178.5	176.6	179.9	-168.4	0.7	109.9	I21 D23	I21-R36 WeakPolarHBondContact O-CD 3.48Å; I21-R36 WeakPolarHBondContact O-CG 3.31Å; I21-R36 PolarHBondContact O-NE 3.12Å; D23-R36 PolarHBondContact OD1-N 2.85Å
37	G	93.2	Very high	90	Very high	43 Å²	43	71.6 Å²	71.6	44%	0.443	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-13.3	-176.8	0	0	0	0	0	114.4	A20 S35 L39	A20-G37 PolarHBondContact O-N 3.16Å; S35-G37 PolarHBondContact O-N 3.31Å; G37-L39 PolarHBondContact O-N 3.39Å
38	D	95.1	Very high	89.5	Confident	33 Å²	33	68.8 Å²	68.8	18%	0.176	37%	0.371	C	S	.	.			trans	-61.3	138.4	175.9	-83.2	-32.1	0	0	0	111.1	R19 A20 F34 S35 I58 R59	R19-D38 CarbonylContact C-O 3.43Å; R19-D38 WeakPolarHBondContact CA-O 3.39Å; A20-D38 HydrophobicContact CB-CB 4.34Å; A20-D38 PolarHBondContact N-O 2.72Å; F34-D38 HydrophobicContact CB-CB 4.27Å; S35-D38 PolarHBondContact N-OD2 3.38Å; S35-D38 VanDerWaalsContact O-CB 3.25Å; S35-D38 WeakPolarHBondContact O-CB 3.34Å; S35-D38 PolarHBondContact O-N 3.41Å; D38-I58 HydrophobicContact CB-CD1 3.91Å; D38-R59 IonicContact OD1-NH2 2.87Å; D38-R59 PolarHBondContact OD1-NH2 2.95Å; D38-R59 VanDerWaalsContact OD1-NH2 3.07Å; D38-R59 IonicContact OD2-NH2 3.81Å
39	L	94.2	Very high	89.3	Confident	103 Å²	103	68.4 Å²	68.4	54%	0.539	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.2	172.4	-67.8	178.5	0	0	0	110.1	L17 R19 G37 I73	L17-L39 HydrophobicContact CD1-CB 4.38Å; R19-L39 HydrophobicContact CB-CD2 4.12Å; G37-L39 PolarHBondContact O-N 3.39Å; L39-I73 HydrophobicContact CD2-CD1 3.75Å
40	I	94.7	Very high	89.1	Confident	0 Å²	0	66 Å²	66	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.1	-171.1	-65	169.1	0	0	0	108.5	A18 A20 F34 C56 I58 L70	A18-I40 PolarHBondContact N-O 3.2Å; A18-I40 PolarHBondContact O-N 3.41Å; A20-I40 HydrophobicContact CB-CD1 4.16Å; F34-I40 HydrophobicContact CB-CD1 3.93Å; F34-I40 HydrophobicContact CD1-CD1 3.8Å; F34-I40 HydrophobicContact CD2-CD1 3.92Å; F34-I40 HydrophobicContact CE1-CD1 4.23Å; F34-I40 HydrophobicContact CE2-CD1 4.31Å; F34-I40 HydrophobicContact CG-CD1 3.62Å; F34-I40 HydrophobicContact CZ-CD1 4.45Å; I40-C56 HydrophobicContact CG2-CB 3.52Å; I40-I58 HydrophobicContact CD1-CD1 4.41Å; I40-I58 HydrophobicContact CG1-CB 4.32Å; I40-I58 HydrophobicContact CG1-CD1 3.93Å; I40-I58 HydrophobicContact CG1-CG1 4.32Å; I40-L70 HydrophobicContact CD1-CD2 3.44Å; I40-L70 VanDerWaalsContact CD1-CD2 3.44Å
41	T	93.8	Very high	88.8	Confident	51 Å²	51	65.4 Å²	65.4	31%	0.313	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.8	174.6	-52.5	0	0	0	0	108.8	F16 L43 C56 S57	F16-T41 CarbonylContact O-C 3.55Å; F16-T41 WeakPolarHBondContact O-CA 3.24Å; T41-L43 HydrophobicContact CG2-CD2 4.23Å; T41-C56 CarbonylContact O-C 3.55Å; T41-C56 WeakPolarHBondContact O-CA 3.32Å; T41-S57 PolarHBondContact N-O 3.45Å; T41-S57 PolarHBondContact O-N 2.88Å
42	V	92.7	Very high	88.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122	177.8	-175.2	0	0	0	0	108.7	F16 A18 R45 W54 L70	F16-V42 HydrophobicContact CB-CB 4.18Å; F16-V42 PolarHBondContact N-O 2.97Å; F16-V42 PolarHBondContact O-N 2.95Å; A18-V42 HydrophobicContact CB-CG2 3.61Å; V42-R45 HydrophobicContact CG1-CG 3.93Å; V42-W54 HydrophobicContact CG1-CB 4.13Å; V42-W54 HydrophobicContact CG1-CD2 4.34Å; V42-W54 HydrophobicContact CG1-CE3 3.94Å; V42-W54 HydrophobicContact CG1-CG 4.46Å; V42-W54 HydrophobicContact CG2-CE3 3.92Å; V42-W54 HydrophobicContact CG2-CZ3 4.36Å; V42-L70 HydrophobicContact CG2-CD1 4.48Å
43	L	90.4	Very high	88.6	Confident	56 Å²	56	70.2 Å²	70.2	29%	0.293	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-40.1	-178.4	-57.6	178.5	0	0	0	111.7	T15 T41 V55 L62	T15-L43 HydrophobicContact CG2-CD2 3.62Å; T41-L43 HydrophobicContact CG2-CD2 4.23Å; L43-V55 PolarHBondContact N-O 2.84Å; L43-L62 HydrophobicContact CD1-CD1 3.44Å; L43-L62 VanDerWaalsContact CD1-CD1 3.44Å
44	D	87.9	Confident	88.6	Confident	76 Å²	76	68 Å²	68	41%	0.406	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	143	-179.8	-168.5	11.9	0	0	0	111	W54 V55	D44-W54 CarbonylContact O-C 3.43Å; D44-W54 WeakPolarHBondContact O-CA 3.38Å; D44-V55 HydrophobicContact CB-CB 4.15Å; D44-V55 HydrophobicContact CB-CG2 4.26Å; D44-V55 PolarHBondContact N-O 2.75Å; D44-V55 PolarHBondContact O-N 3.21Å
45	R	86	Confident	88.5	Confident	124 Å²	124	69.5 Å²	69.5	47%	0.468	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.3	-178.7	-62.3	-174.9	-60.7	176.5	2.8	108.9	V42 W54	V42-R45 HydrophobicContact CG1-CG 3.93Å; R45-W54 HydrophobicContact CB-CG 4.37Å; R45-W54 HydrophobicContact CG-CD2 4.1Å; R45-W54 HydrophobicContact CG-CG 4.2Å
46	N	78	Confident	88.4	Confident	77 Å²	77	66.3 Å²	66.3	41%	0.412	37%	0.374	S	S	.	.	S	Bend	trans	57.7	64.4	-178.9	-53.3	-37.2	0	0	0	112.3	G52 W53	N46-G52 WeakPolarHBondContact OD1-CA 3.46Å; N46-G52 PolarHBondContact OD1-N 2.8Å; N46-W53 VanDerWaalsContact CA-O 3.31Å; N46-W53 WeakPolarHBondContact CA-O 3.05Å; N46-W53 PolarHBondContact N-O 3.19Å
47	P	77.2	Confident	88.2	Confident	25 Å²	25	58.8 Å²	58.8	16%	0.162	35%	0.35	C	S	.	.			trans	-61	154.9	175.1	31.8	-36	0	0	0	109.8	G49 L50 W53 V55	P47-G49 PolarHBondContact O-N 3.13Å; P47-L50 HydrophobicContact CG-CB 4.14Å; P47-L50 HydrophobicContact CG-CD1 4.22Å; P47-L50 PolarHBondContact O-N 3.31Å; P47-W53 WeakPolarHBondContact CD-O 3.44Å; P47-V55 HydrophobicContact CB-CG2 4.2Å; P47-V55 HydrophobicContact CG-CG2 3.78Å
48	S	75.1	Confident	88	Confident	134 Å²	134	57.1 Å²	57.1	94%	0.937	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	114.1	-177.2	-59.4	0	0	0	0	112.4
49	G	79.3	Confident	87.6	Confident	75 Å²	75	65.9 Å²	65.9	77%	0.773	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.3	-2.5	178.4	0	0	0	0	0	116.2	P47	P47-G49 PolarHBondContact O-N 3.13Å
50	L	79.6	Confident	87	Confident	71 Å²	71	64.6 Å²	64.6	37%	0.372	37%	0.373	S	S	.	.			trans	-129.9	67.7	179.9	-61	172.7	0	0	0	112.1	P47 G52 W53 I64	P47-L50 HydrophobicContact CG-CB 4.14Å; P47-L50 HydrophobicContact CG-CD1 4.22Å; P47-L50 PolarHBondContact O-N 3.31Å; L50-G52 PolarHBondContact O-N 2.67Å; L50-W53 HydrophobicContact CB-CB 3.96Å; L50-W53 HydrophobicContact CB-CG 4.36Å; L50-W53 PolarHBondContact O-N 3.46Å; L50-W53 VanDerWaalsContact O-N 3.17Å; L50-I64 HydrophobicContact CD1-CG2 4.33Å
51	N	82.4	Confident	86.7	Confident	143 Å²	143	69.7 Å²	69.7	77%	0.765	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	130.1	175	-72	-7.5	0	0	0	111.1	W53	N51-W53 VanDerWaalsContact C-N 3.32Å
52	G	88.1	Confident	86.7	Confident	41 Å²	41	72.5 Å²	72.5	42%	0.423	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-5.9	-178.5	0	0	0	0	0	114.6	N46 L50 G67	N46-G52 WeakPolarHBondContact OD1-CA 3.46Å; N46-G52 PolarHBondContact OD1-N 2.8Å; L50-G52 PolarHBondContact O-N 2.67Å; G52-G67 PolarHBondContact O-N 3.03Å
53	W	92.2	Very high	86.7	Confident	79 Å²	79	73.1 Å²	73.1	30%	0.299	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	138.3	176.5	-64.2	86.2	0	0	0	110.7	E31 N46 P47 L50 N51 I64 P66	E31-W53 HydrophobicContact CG-CZ3 4.13Å; N46-W53 VanDerWaalsContact CA-O 3.31Å; N46-W53 WeakPolarHBondContact CA-O 3.05Å; N46-W53 PolarHBondContact N-O 3.19Å; P47-W53 WeakPolarHBondContact CD-O 3.44Å; L50-W53 HydrophobicContact CB-CB 3.96Å; L50-W53 HydrophobicContact CB-CG 4.36Å; L50-W53 PolarHBondContact O-N 3.46Å; L50-W53 VanDerWaalsContact O-N 3.17Å; N51-W53 VanDerWaalsContact C-N 3.32Å; W53-I64 HydrophobicContact CD2-CD1 4.35Å; W53-I64 HydrophobicContact CE3-CB 4.2Å; W53-I64 HydrophobicContact CE3-CD1 3.96Å; W53-I64 HydrophobicContact CE3-CG1 4.18Å; W53-I64 HydrophobicContact CZ3-CD1 4.34Å; W53-P66 HydrophobicContact CE3-CB 4.22Å; W53-P66 HydrophobicContact CH2-CB 4.35Å; W53-P66 HydrophobicContact CZ3-CB 4.04Å; W53-P66 HydrophobicContact CZ3-CG 4.15Å
54	W	93.4	Very high	86.9	Confident	35 Å²	35	72.2 Å²	72.2	13%	0.133	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143	178.9	-61.1	-4.3	0	0	0	109.5	V42 D44 R45 I64 A65 G67 L70 L72	V42-W54 HydrophobicContact CG1-CB 4.13Å; V42-W54 HydrophobicContact CG1-CD2 4.34Å; V42-W54 HydrophobicContact CG1-CE3 3.94Å; V42-W54 HydrophobicContact CG1-CG 4.46Å; V42-W54 HydrophobicContact CG2-CE3 3.92Å; V42-W54 HydrophobicContact CG2-CZ3 4.36Å; D44-W54 CarbonylContact O-C 3.43Å; D44-W54 WeakPolarHBondContact O-CA 3.38Å; R45-W54 HydrophobicContact CB-CG 4.37Å; R45-W54 HydrophobicContact CG-CD2 4.1Å; R45-W54 HydrophobicContact CG-CG 4.2Å; W54-I64 CarbonylContact O-C 3.55Å; W54-I64 VanDerWaalsContact O-CA 3.32Å; W54-I64 WeakPolarHBondContact O-CA 3.42Å; W54-A65 PolarHBondContact N-O 3.3Å; W54-A65 PolarHBondContact O-N 3.37Å; W54-G67 VanDerWaalsContact CE2-CA 3.47Å; W54-L70 HydrophobicContact CE3-CB 3.96Å; W54-L70 HydrophobicContact CE3-CD1 3.63Å; W54-L70 HydrophobicContact CE3-CG 4.39Å; W54-L70 HydrophobicContact CH2-CB 4.32Å; W54-L70 HydrophobicContact CZ3-CB 3.51Å; W54-L70 HydrophobicContact CZ3-CD1 4.09Å; W54-L70 HydrophobicContact CZ3-CG 4.41Å; W54-L72 HydrophobicContact CE3-CD1 4.15Å; W54-L72 HydrophobicContact CH2-CD1 3.34Å; W54-L72 HydrophobicContact CZ2-CD1 4.42Å; W54-L72 HydrophobicContact CZ3-CD1 3.16Å
55	V	93	Very high	87.1	Confident	37 Å²	37	68.6 Å²	68.6	22%	0.224	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	119.1	172.4	-175.1	0	0	0	0	107.5	L43 D44 P47 L62 I64	L43-V55 PolarHBondContact N-O 2.84Å; D44-V55 HydrophobicContact CB-CB 4.15Å; D44-V55 HydrophobicContact CB-CG2 4.26Å; D44-V55 PolarHBondContact N-O 2.75Å; D44-V55 PolarHBondContact O-N 3.21Å; P47-V55 HydrophobicContact CB-CG2 4.2Å; P47-V55 HydrophobicContact CG-CG2 3.78Å; V55-L62 HydrophobicContact CG1-CD1 4.14Å; V55-I64 HydrophobicContact CG2-CG2 4.5Å
56	C	93.5	Very high	87.5	Confident	0 Å²	0	63 Å²	63	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	160.8	-169.1	-64.7	0	0	0	0	111.5	L32 I40 T41 G63 A65	L32-C56 HydrophobicContact CD1-CB 3.78Å; L32-C56 WeakPolarHBondContact CD1-O 3.31Å; I40-C56 HydrophobicContact CG2-CB 3.52Å; T41-C56 CarbonylContact O-C 3.55Å; T41-C56 WeakPolarHBondContact O-CA 3.32Å; C56-G63 PolarHBondContact N-O 3.34Å; C56-G63 PolarHBondContact O-N 3.13Å; C56-A65 HydrophobicContact CB-CB 4.24Å
57	S	92	Very high	88.1	Confident	31 Å²	31	59.6 Å²	59.6	22%	0.217	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.1	169.1	-173.5	0	0	0	0	111.4	T41 Q61	T41-S57 PolarHBondContact N-O 3.45Å; T41-S57 PolarHBondContact O-N 2.88Å; S57-Q61 CarbonylContact C-O 3.59Å; S57-Q61 WeakPolarHBondContact CA-O 3.37Å; S57-Q61 PolarHBondContact OG-O 3.16Å
58	I	90.4	Very high	88.9	Confident	9 Å²	9	64.1 Å²	64.1	5%	0.046	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.4	175.3	-171.8	173.8	0	0	0	108.9	L32 F34 D38 I40 G60 Q61	L32-I58 HydrophobicContact CB-CG2 4.42Å; L32-I58 HydrophobicContact CD1-CG2 4.08Å; L32-I58 HydrophobicContact CD2-CG2 4.03Å; L32-I58 HydrophobicContact CG-CG2 4.41Å; F34-I58 HydrophobicContact CB-CD1 3.8Å; D38-I58 HydrophobicContact CB-CD1 3.91Å; I40-I58 HydrophobicContact CD1-CD1 4.41Å; I40-I58 HydrophobicContact CG1-CB 4.32Å; I40-I58 HydrophobicContact CG1-CD1 3.93Å; I40-I58 HydrophobicContact CG1-CG1 4.32Å; I58-G60 PolarHBondContact O-N 3.24Å; I58-Q61 PolarHBondContact N-O 2.75Å; I58-Q61 WeakPolarHBondContact O-CB 3.44Å; I58-Q61 PolarHBondContact O-N 3.48Å
59	R	86.4	Confident	89.8	Confident	216 Å²	216	61.7 Å²	61.7	82%	0.815	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	34	178	-59.4	170.4	-167.2	176.6	7.8	113.8	D38 Q61	D38-R59 IonicContact OD1-NH2 2.87Å; D38-R59 PolarHBondContact OD1-NH2 2.95Å; D38-R59 VanDerWaalsContact OD1-NH2 3.07Å; D38-R59 IonicContact OD2-NH2 3.81Å; R59-Q61 VanDerWaalsContact C-N 3.28Å; R59-Q61 PolarHBondContact O-N 3.24Å
60	G	82.4	Confident	90.6	Very high	76 Å²	76	58.6 Å²	58.6	78%	0.784	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-4.1	-177.8	0	0	0	0	0	115.4	I58	I58-G60 PolarHBondContact O-N 3.24Å
61	Q	88.2	Confident	91.3	Very high	107 Å²	107	59.3 Å²	59.3	50%	0.5	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.3	171.5	-169.2	173.8	-1.1	0	0	109.7	L32 S57 I58 R59	L32-Q61 HydrophobicContact CD2-CB 4.23Å; L32-Q61 HydrophobicContact CD2-CG 3.79Å; S57-Q61 CarbonylContact C-O 3.59Å; S57-Q61 WeakPolarHBondContact CA-O 3.37Å; S57-Q61 PolarHBondContact OG-O 3.16Å; I58-Q61 PolarHBondContact N-O 2.75Å; I58-Q61 WeakPolarHBondContact O-CB 3.44Å; I58-Q61 PolarHBondContact O-N 3.48Å; R59-Q61 VanDerWaalsContact C-N 3.28Å; R59-Q61 PolarHBondContact O-N 3.24Å
62	L	92.3	Very high	91.7	Very high	111 Å²	111	55.3 Å²	55.3	58%	0.581	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.5	175.4	-178.2	73	0	0	0	109.3	L43 V55	L43-L62 HydrophobicContact CD1-CD1 3.44Å; L43-L62 VanDerWaalsContact CD1-CD1 3.44Å; V55-L62 HydrophobicContact CG1-CD1 4.14Å
63	G	93.6	Very high	91.9	Very high	12 Å²	12	57.6 Å²	57.6	12%	0.124	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	-176.2	177.1	0	0	0	0	0	112.5	K30 C56	K30-G63 WeakPolarHBondContact O-CA 3.44Å; C56-G63 PolarHBondContact N-O 3.34Å; C56-G63 PolarHBondContact O-N 3.13Å
64	I	93.8	Very high	91.6	Very high	38 Å²	38	55.4 Å²	55.4	20%	0.195	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	145.1	173.6	55.3	170.6	0	0	0	110.6	K30 E31 L32 L50 W53 W54 V55	K30-I64 HydrophobicContact CB-CG1 4.49Å; K30-I64 WeakPolarHBondContact O-CG1 3.49Å; K30-I64 PolarHBondContact O-N 3.05Å; E31-I64 WeakPolarHBondContact CA-O 3.31Å; E31-I64 HydrophobicContact CB-CG1 4.49Å; L32-I64 PolarHBondContact N-O 2.95Å; L50-I64 HydrophobicContact CD1-CG2 4.33Å; W53-I64 HydrophobicContact CD2-CD1 4.35Å; W53-I64 HydrophobicContact CE3-CB 4.2Å; W53-I64 HydrophobicContact CE3-CD1 3.96Å; W53-I64 HydrophobicContact CE3-CG1 4.18Å; W53-I64 HydrophobicContact CZ3-CD1 4.34Å; W54-I64 CarbonylContact O-C 3.55Å; W54-I64 VanDerWaalsContact O-CA 3.32Å; W54-I64 WeakPolarHBondContact O-CA 3.42Å; V55-I64 HydrophobicContact CG2-CG2 4.5Å
65	A	93.6	Very high	91.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.9	174	0	0	0	0	0	109.7	F34 W54 C56 G67 L70	F34-A65 HydrophobicContact CE1-CB 3.75Å; F34-A65 HydrophobicContact CZ-CB 4.37Å; W54-A65 PolarHBondContact N-O 3.3Å; W54-A65 PolarHBondContact O-N 3.37Å; C56-A65 HydrophobicContact CB-CB 4.24Å; A65-G67 PolarHBondContact O-N 3.47Å; A65-L70 HydrophobicContact CB-CD1 3.95Å
66	P	93.2	Very high	89.9	Confident	7 Å²	7	57.5 Å²	57.5	5%	0.045	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120.2	178	25	-25.9	0	0	0	109.6	W53 N68 R69	W53-P66 HydrophobicContact CE3-CB 4.22Å; W53-P66 HydrophobicContact CH2-CB 4.35Å; W53-P66 HydrophobicContact CZ3-CB 4.04Å; W53-P66 HydrophobicContact CZ3-CG 4.15Å; P66-N68 PolarHBondContact O-N 2.85Å; P66-R69 HydrophobicContact CG-CB 4.44Å; P66-R69 HydrophobicContact CG-CG 4.11Å; P66-R69 PolarHBondContact O-N 2.85Å
67	G	90.4	Very high	88.2	Confident	5 Å²	5	61.2 Å²	61.2	5%	0.052	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-63.6	-27.5	-171.3	0	0	0	0	0	113.9	G52 W54 A65 R69 L70	G52-G67 PolarHBondContact O-N 3.03Å; W54-G67 VanDerWaalsContact CE2-CA 3.47Å; A65-G67 PolarHBondContact O-N 3.47Å; G67-R69 PolarHBondContact O-N 3.19Å; G67-L70 PolarHBondContact O-N 3.47Å; G67-L70 VanDerWaalsContact O-N 3.09Å
68	N	93.8	Very high	86.1	Confident	119 Å²	119	69 Å²	69	64%	0.636	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-68.6	-11.7	176.1	67.5	-15.8	0	0	0	114.1	P66	P66-N68 PolarHBondContact O-N 2.85Å
69	R	94.5	Very high	83.7	Confident	83 Å²	83	74 Å²	74	31%	0.313	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-95.4	0.8	173.4	-62.1	-168.4	175.3	101.1	7.8	112.8	A20 I21 Y22 N24 F34 P66 G67	A20-R69 WeakPolarHBondContact CA-O 3.37Å; I21-R69 VanDerWaalsContact CG1-C 3.49Å; I21-R69 WeakPolarHBondContact CG1-O 3.41Å; I21-R69 PolarHBondContact N-O 2.91Å; Y22-R69 HydrophobicContact CD2-CG 4.43Å; N24-R69 WeakPolarHBondContact OD1-CD 3.34Å; N24-R69 PolarHBondContact OD1-NH1 3.2Å; F34-R69 HydrophobicContact CE2-CB 4.07Å; F34-R69 HydrophobicContact CZ-CB 4.03Å; P66-R69 HydrophobicContact CG-CB 4.44Å; P66-R69 HydrophobicContact CG-CG 4.11Å; P66-R69 PolarHBondContact O-N 2.85Å; G67-R69 PolarHBondContact O-N 3.19Å
70	L	95.2	Very high	81.3	Confident	11 Å²	11	72.3 Å²	72.3	6%	0.058	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.2	-173.9	-58.6	-179.4	0	0	0	110.9	A18 A20 F34 I40 V42 W54 A65 G67	A18-L70 HydrophobicContact CB-CB 4.19Å; A20-L70 HydrophobicContact CB-CD2 4.41Å; F34-L70 HydrophobicContact CE2-CD2 4.08Å; F34-L70 HydrophobicContact CZ-CD2 3.98Å; I40-L70 HydrophobicContact CD1-CD2 3.44Å; I40-L70 VanDerWaalsContact CD1-CD2 3.44Å; V42-L70 HydrophobicContact CG2-CD1 4.48Å; W54-L70 HydrophobicContact CE3-CB 3.96Å; W54-L70 HydrophobicContact CE3-CD1 3.63Å; W54-L70 HydrophobicContact CE3-CG 4.39Å; W54-L70 HydrophobicContact CH2-CB 4.32Å; W54-L70 HydrophobicContact CZ3-CB 3.51Å; W54-L70 HydrophobicContact CZ3-CD1 4.09Å; W54-L70 HydrophobicContact CZ3-CG 4.41Å; A65-L70 HydrophobicContact CB-CD1 3.95Å; G67-L70 PolarHBondContact O-N 3.47Å; G67-L70 VanDerWaalsContact O-N 3.09Å
71	E	94.3	Very high	79	Confident	86 Å²	86	77.4 Å²	77.4	40%	0.402	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.3	172.5	178.1	-173.7	-152.9	0	0	108.6	A18 R19 I21 I73	A18-E71 CarbonylContact C-O 3.54Å; A18-E71 WeakPolarHBondContact CA-O 3.45Å; A18-E71 WeakPolarHBondContact CB-O 3.35Å; R19-E71 IonicContact CZ-OE2 3.26Å; R19-E71 PolarHBondContact N-O 2.95Å; R19-E71 IonicContact NE-OE2 3.24Å; R19-E71 PolarHBondContact NE-OE2 3.21Å; R19-E71 IonicContact NH2-OE1 3.91Å; R19-E71 IonicContact NH2-OE2 3.18Å; R19-E71 PolarHBondContact NH2-OE2 2.92Å; R19-E71 PolarHBondContact O-N 3.18Å; I21-E71 HydrophobicContact CG2-CB 3.65Å; E71-I73 PolarHBondContact O-N 3.38Å
72	L	92.3	Very high	76.4	Confident	58 Å²	58	81.5 Å²	81.5	30%	0.304	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	123.2	173.8	-96.2	68.2	0	0	0	109.4	F16 A18 W54	F16-L72 HydrophobicContact CB-CD2 4.07Å; F16-L72 HydrophobicContact CB-CG 4.19Å; F16-L72 HydrophobicContact CD1-CD2 3.63Å; F16-L72 HydrophobicContact CE1-CD2 4.25Å; F16-L72 HydrophobicContact CG-CD2 3.92Å; A18-L72 HydrophobicContact CB-CD1 4.27Å; W54-L72 HydrophobicContact CE3-CD1 4.15Å; W54-L72 HydrophobicContact CH2-CD1 3.34Å; W54-L72 HydrophobicContact CZ2-CD1 4.42Å; W54-L72 HydrophobicContact CZ3-CD1 3.16Å
73	I	92	Very high	73.5	Confident	90 Å²	90	83.6 Å²	83.6	46%	0.462	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-32	176.6	-55.7	165.3	0	0	0	110.5	L17 R19 L39 E71	L17-I73 PolarHBondContact O-N 2.9Å; R19-I73 HydrophobicContact CB-CD1 3.27Å; R19-I73 HydrophobicContact CB-CG1 3.98Å; R19-I73 HydrophobicContact CG-CD1 4.38Å; L39-I73 HydrophobicContact CD2-CD1 3.75Å; E71-I73 PolarHBondContact O-N 3.38Å
74	G	86.1	Confident	70.6	Confident	33 Å²	33	89.1 Å²	89.1	34%	0.34	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	177.2	-177.5	0	0	0	0	0	113.4	F16 L17	F16-G74 WeakPolarHBondContact CA-O 3.4Å; L17-G74 PolarHBondContact N-O 3.22Å; L17-G74 PolarHBondContact O-N 3.32Å
75	V	82.6	Confident	67.9	Low	53 Å²	53	92 Å²	92	32%	0.321	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.7	170.4	-163.6	0	0	0	0	107.7	K14 T15 F16 N77	K14-V75 HydrophobicContact CD-CG1 4.05Å; K14-V75 VanDerWaalsContact CE-CG1 3.43Å; K14-V75 HydrophobicContact CG-CG1 3.43Å; K14-V75 VanDerWaalsContact CG-CG1 3.43Å; T15-V75 WeakPolarHBondContact O-CG1 3.4Å; F16-V75 HydrophobicContact CD1-CB 4.28Å; F16-V75 HydrophobicContact CD1-CG1 4.18Å; F16-V75 HydrophobicContact CD1-CG2 3.74Å; F16-V75 HydrophobicContact CE1-CB 4.46Å; F16-V75 HydrophobicContact CE1-CG1 4.23Å; F16-V75 HydrophobicContact CE1-CG2 3.63Å; V75-N77 WeakPolarHBondContact CG1-OD1 3.43Å; V75-N77 PolarHBondContact O-N 2.96Å
76	V	68.5	Low	65.2	Low	62 Å²	62	99.2 Å²	99.2	38%	0.376	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	76.2	161.3	-172.7	0	0	0	0	106	T15 L17 K78	T15-V76 CarbonylContact O-C 3.49Å; T15-V76 WeakPolarHBondContact O-CA 3.28Å; T15-V76 PolarHBondContact O-N 2.91Å; T15-V76 PolarHBondContact OG1-O 2.74Å; T15-V76 VanDerWaalsContact OG1-O 3.04Å; L17-V76 HydrophobicContact CB-CG2 3.92Å; V76-K78 PolarHBondContact O-N 3.39Å
77	N	56	Low	62.8	Low	78 Å²	78	104.3 Å²	104.3	42%	0.417	55%	0.547	S	S	.	.			trans	-67.4	113.6	165.6	-81.3	-19	0	0	0	106	V75 N79	V75-N77 WeakPolarHBondContact CG1-OD1 3.43Å; V75-N77 PolarHBondContact O-N 2.96Å; N77-N79 HydrophobicContact CB-CB 3.84Å; N77-N79 VanDerWaalsContact CB-CG 3.45Å; N77-N79 WeakPolarHBondContact CB-ND2 3.32Å; N77-N79 PolarHBondContact ND2-ND2 3.47Å; N77-N79 PolarHBondContact O-N 2.87Å
78	K	48.3	Very low	60.3	Low	194 Å²	194	114.2 Å²	114.2	84%	0.843	58%	0.584	S	S	*	*			trans	-71.3	32.4	160.7	-68.3	-171	177.2	-175.9	0	110.8	V76 K80	V76-K78 PolarHBondContact O-N 3.39Å; K78-K80 PolarHBondContact O-N 3.29Å
79	N	40.2	Very low	57.8	Low	114 Å²	114	115.3 Å²	115.3	61%	0.61	59%	0.59	S	S	*	*			trans	-82.1	108.1	-170.4	-64.5	-2	0	0	0	108.6	N77	N77-N79 HydrophobicContact CB-CB 3.84Å; N77-N79 VanDerWaalsContact CB-CG 3.45Å; N77-N79 WeakPolarHBondContact CB-ND2 3.32Å; N77-N79 PolarHBondContact ND2-ND2 3.47Å; N77-N79 PolarHBondContact O-N 2.87Å
80	K	35.6	Very low	55.3	Low	181 Å²	181	116.7 Å²	116.7	79%	0.787	60%	0.603	S	S	*	*			trans	5.4	124.6	131	-58.9	-178.1	176.1	-173.3	0	115.1	K78	K78-K80 PolarHBondContact O-N 3.29Å
81	E	34.8	Very low	52.6	Low	184 Å²	184	121.4 Å²	121.4	86%	0.86	64%	0.635	S	S	*	*			trans	52.5	87.4	146.9	-64.3	168.8	-168.8	0	0	116.9
82	Q	33.9	Very low	50.2	Low	192 Å²	192	122.2 Å²	122.2	90%	0.897	65%	0.646	S	S	*	*			trans	-135.7	102.9	145.6	-72.4	-168.3	-17.8	0	0	109.5	T84	Q82-T84 PolarHBondContact O-N 3.38Å
83	N	30.8	Very low	47.4	Very low	155 Å²	155	121.8 Å²	121.8	83%	0.829	66%	0.656	S	S	*	*			trans	-45.6	123.6	157.7	-70	-48.6	0	0	0	109.6
84	T	33.9	Very low	44.4	Very low	128 Å²	128	129.3 Å²	129.3	79%	0.785	68%	0.679	S	S	*	*				163.7	133.5	127.5	39.9	0	0	0	0	109.2	Q82	Q82-T84 PolarHBondContact O-N 3.38Å
85	S	36.8	Very low	41.7	Very low	98 Å²	98	133 Å²	133	69%	0.685	70%	0.697	S	S	*	*			trans	66	61.8	165.1	61.5	0	0	0	0	118.2
86	D	36.1	Very low	39.4	Very low	153 Å²	153	137 Å²	137	82%	0.818	72%	0.716	S	S	*	*			trans	-109.1	93.7	131.8	-93.1	-24.5	0	0	0	107	Y88	D86-Y88 PolarHBondContact O-N 3.25Å
87	V	42.9	Very low	37.8	Very low	113 Å²	113	139.2 Å²	139.2	69%	0.685	73%	0.731	S	S	*	*			trans	-65.9	80.5	172.4	179.1	0	0	0	0	106.9
88	Y	37.8	Very low	36.7	Very low	213 Å²	213	142.8 Å²	142.8	84%	0.835	75%	0.75	S	S	*	*			trans	-94.7	99	160.8	-95.1	-86.1	0	0	0	107.2	D86 D90	D86-Y88 PolarHBondContact O-N 3.25Å; Y88-D90 PolarHBondContact O-N 3.01Å
89	D	40.9	Very low	35.8	Very low	143 Å²	143	140.6 Å²	140.6	77%	0.765	75%	0.748	S	S	*	*			trans	-53.7	104.9	168.8	-71.9	-40.4	0	0	0	109	P91	D89-P91 VanDerWaalsContact O-CD 3.3Å; D89-P91 WeakPolarHBondContact O-CD 3.38Å
90	D	41.9	Very low	35	Very low	111 Å²	111	140.2 Å²	140.2	59%	0.594	75%	0.753	S	S	*	*			trans	-67.8	115.8	167.7	-179	-3.2	0	0	0	108.2	Y88 T92 G93	Y88-D90 PolarHBondContact O-N 3.01Å; D90-T92 PolarHBondContact O-N 2.86Å; D90-T92 WeakPolarHBondContact OD1-CB 3.4Å; D90-T92 PolarHBondContact OD1-N 3.03Å; D90-T92 PolarHBondContact OD1-OG1 2.98Å; D90-G93 PolarHBondContact O-N 3.15Å
91	P	38.5	Very low	34.7	Very low	111 Å²	111	139.3 Å²	139.3	72%	0.721	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-67.3	-4.2	-178.7	27.5	-32.9	0	0	0	113.2	D89 G93	D89-P91 VanDerWaalsContact O-CD 3.3Å; D89-P91 WeakPolarHBondContact O-CD 3.38Å; P91-G93 PolarHBondContact O-N 3.28Å
92	T	43.5	Very low	34.5	Very low	102 Å²	102	137.1 Å²	137.1	63%	0.626	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-74.5	-15	177	-33.9	0	0	0	0	112.7	D90 W94	D90-T92 PolarHBondContact O-N 2.86Å; D90-T92 WeakPolarHBondContact OD1-CB 3.4Å; D90-T92 PolarHBondContact OD1-N 3.03Å; D90-T92 PolarHBondContact OD1-OG1 2.98Å; T92-W94 VanDerWaalsContact C-N 3.33Å; T92-W94 PolarHBondContact O-N 3.5Å
93	G	34.2	Very low	34.3	Very low	50 Å²	50	135.3 Å²	135.3	52%	0.515	75%	0.748	S	S	.	*	G	3₁₀ helix	trans	-75.4	-9.9	178.1	0	0	0	0	0	116	D90 P91 C95	D90-G93 PolarHBondContact O-N 3.15Å; P91-G93 PolarHBondContact O-N 3.28Å; G93-C95 VanDerWaalsContact C-N 3.35Å
94	W	30	Very low	34.3	Very low	248 Å²	248	134.8 Å²	134.8	94%	0.939	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-86.8	-3.2	179.4	-87.4	32.4	0	0	0	114.3	T92 I96	T92-W94 VanDerWaalsContact C-N 3.33Å; T92-W94 PolarHBondContact O-N 3.5Å; W94-I96 PolarHBondContact O-N 3.19Å
95	C	29.6	Very low	34.1	Very low	109 Å²	109	135.9 Å²	135.9	74%	0.736	75%	0.746	S	S	*	*			trans	-96.3	60.4	174.9	-63.4	0	0	0	0	110.7	G93 P97	G93-C95 VanDerWaalsContact C-N 3.35Å; C95-P97 WeakPolarHBondContact O-CD 3.46Å
96	I	33.8	Very low	33.6	Very low	137 Å²	137	136.1 Å²	136.1	70%	0.703	75%	0.745	S	S	*	*			trans	-96.8	111.2	158.4	-58.9	177.7	0	0	0	106.5	W94 N98	W94-I96 PolarHBondContact O-N 3.19Å; I96-N98 PolarHBondContact O-N 3.31Å
97	P	34.2	Very low	33.2	Very low	109 Å²	109	136.4 Å²	136.4	71%	0.708	75%	0.747	S	S	*	*			trans	-63.2	117.8	174.4	-18.5	31.8	0	0	0	109.8	C95 D99	C95-P97 WeakPolarHBondContact O-CD 3.46Å; P97-D99 PolarHBondContact O-N 3.44Å
98	N	32.2	Very low	32.5	Very low	153 Å²	153	138 Å²	138	82%	0.818	75%	0.751	S	S	*	*			trans	-74.7	79.1	164.8	-72.8	-24.2	0	0	0	108.6	I96	I96-N98 PolarHBondContact O-N 3.31Å
99	D	30.3	Very low	32.1	Very low	149 Å²	149	133.1 Å²	133.1	80%	0.797	74%	0.74	S	S	*	*			trans	-113.6	94	157.1	-85.1	-31.2	0	0	0	108.4	P97	P97-D99 PolarHBondContact O-N 3.44Å
100	C	24.4	Very low	31.4	Very low	106 Å²	106	134 Å²	134	72%	0.716	74%	0.737	S	S	*	*			trans	-49.3	129.8	156.6	42	0	0	0	0	110.8
101	N	29	Very low	30.7	Very low	161 Å²	161	136.5 Å²	136.5	86%	0.861	75%	0.75	S	S	*	*			trans	177.5	91.2	149.3	-88.6	-32.5	0	0	0	110.5
102	N	29.9	Very low	29.9	Very low	139 Å²	139	135.8 Å²	135.8	74%	0.743	75%	0.748	S	S	*	*			trans	-163.7	76.5	135.8	-157.4	0.3	0	0	0	109.4	N104	N102-N104 PolarHBondContact O-N 2.85Å; N102-N104 PolarHBondContact OD1-ND2 2.92Å
103	D	29.8	Very low	29.2	Very low	153 Å²	153	138.6 Å²	138.6	82%	0.818	76%	0.757	S	S	*	*			trans	-67	112.1	160.3	-76	-42.1	0	0	0	108.7
104	N	31.2	Very low	28.6	Very low	144 Å²	144	143.9 Å²	143.9	77%	0.77	77%	0.773	S	S	*	*			trans	-161.5	70.3	158.6	-84.4	-47.5	0	0	0	110.4	N102	N102-N104 PolarHBondContact O-N 2.85Å; N102-N104 PolarHBondContact OD1-ND2 2.92Å
105	N	29.5	Very low	28.1	Very low	152 Å²	152	137.9 Å²	137.9	81%	0.813	77%	0.767	S	S	*	*			trans	-159.1	108.7	145.6	-152.2	-2.2	0	0	0	112
106	P	25.3	Very low	27.7	Very low	102 Å²	102	138.6 Å²	138.6	66%	0.662	77%	0.768	S	S	*	*			trans	-83.3	129.5	170.8	32.4	-27	0	0	0	109.2
107	N	27.7	Very low	27.2	Very low	160 Å²	160	141.1 Å²	141.1	86%	0.856	77%	0.774	S	S	*	*			trans	175	138	142.2	-85.2	-31	0	0	0	111.8
108	N	30	Very low	26.7	Very low	146 Å²	146	145.1 Å²	145.1	78%	0.781	78%	0.78	S	S	*	*			trans	84.5	96.2	164.3	-90.4	-7.5	0	0	0	120.8
109	D	27.7	Very low	26.1	Very low	110 Å²	110	142.7 Å²	142.7	59%	0.588	78%	0.776	S	S	*	*				63.6	115	111.1	-83.7	10.1	0	0	0	121.2
110	K	26.5	Very low	25.8	Very low	162 Å²	162	142.4 Å²	142.4	70%	0.704	78%	0.78	S	S	*	*			trans	66.2	101.8	133.4	-60.7	168.8	-177.1	136.6	0	116.9
111	N	28.1	Very low	25.8	Very low	163 Å²	163	142.3 Å²	142.3	87%	0.872	78%	0.777	S	S	*	*				-169.6	137.7	109.1	-92.3	-26	0	0	0	112.7
112	S	22.2	Very low	25.4	Very low	97 Å²	97	143.4 Å²	143.4	68%	0.678	78%	0.775	S	S	*	*			trans	-59.5	152.4	-179.4	52.6	0	0	0	0	115.6
113	I	26.8	Very low	25.2	Very low	161 Å²	161	144.2 Å²	144.2	83%	0.826	78%	0.779	S	S	*	*				167.8	84.6	129.8	-78.6	148.5	0	0	0	105.7
114	L	22.4	Very low	24.9	Very low	161 Å²	161	141.4 Å²	141.4	84%	0.843	77%	0.77	S	S	*	*				69.6	96.3	97.2	-161.6	73.2	0	0	0	115
115	C	19.5	Very low	24.6	Very low	121 Å²	121	141.9 Å²	141.9	82%	0.818	77%	0.771	S	S	*	*			trans	-70.5	153.6	168.4	-57.8	0	0	0	0	112.9
116	T	22.1	Very low	24.5	Very low	124 Å²	124	143 Å²	143	76%	0.761	77%	0.771	S	S	*	*			trans	-128.9	115.3	159.7	46.8	0	0	0	0	112.4
117	K	22.1	Very low	24.3	Very low	190 Å²	190	146.7 Å²	146.7	83%	0.826	78%	0.78	S	S	*	*			trans	54.6	113	136	-59.5	-177.5	178.2	179.7	0	120.4
118	K	23.6	Very low	24.3	Very low	193 Å²	193	147 Å²	147	84%	0.839	78%	0.782	S	S	*	*				155.7	96.2	115	-86.1	174.1	179.2	-179.2	0	108.4
119	S	20.1	Very low	23.9	Very low	103 Å²	103	151.1 Å²	151.1	72%	0.72	79%	0.786	S	S	*	*				59.6	98.1	87	74.4	0	0	0	0	114.6
120	T	24.6	Very low	23.8	Very low	143 Å²	143	153.7 Å²	153.7	88%	0.877	80%	0.799	S	S	*	*			trans	-160.8	148.1	132.1	26.5	0	0	0	0	109.9
121	P	23	Very low	23.6	Very low	103 Å²	103	150.3 Å²	150.3	67%	0.669	80%	0.796	S	S	*	*			trans	-112.5	156.3	-149.1	34.6	-19.4	0	0	0	114.5
122	F	20.7	Very low	23.4	Very low	184 Å²	184	150.5 Å²	150.5	81%	0.807	79%	0.793	S	S	*	*			trans	50.4	115.6	140.2	-83.3	-101.2	0	0	0	119.9
123	N	26.1	Very low	23.5	Very low	157 Å²	157	151.4 Å²	151.4	84%	0.84	79%	0.791	S	S	*	*				-159.2	117.8	113.2	-105.7	-15.1	0	0	0	111.1
124	P	23.5	Very low	23.4	Very low	94 Å²	94	153.8 Å²	153.8	61%	0.61	79%	0.789	S	S	*	*			trans	-100.9	119	171.1	32.5	-21.8	0	0	0	109.9
125	L	24.9	Very low	23.5	Very low	154 Å²	154	154 Å²	154	81%	0.806	79%	0.791	S	S	*	*			trans	-143.4	131.3	165.8	-79.1	176.6	0	0	0	110.7
126	E	26.6	Very low	23.8	Very low	175 Å²	175	153.7 Å²	153.7	82%	0.818	79%	0.79	S	S	*	*			trans	74.7	93	156.4	-63.7	175.2	174.1	0	0	116.6
127	E	22	Very low	23.8	Very low	180 Å²	180	154 Å²	154	84%	0.841	80%	0.796	S	S	*	*				43.7	94.8	75.8	-69.6	-166.8	160.4	0	0	114.1
128	N	27.7	Very low	23.9	Very low	167 Å²	167	150.1 Å²	150.1	89%	0.893	79%	0.793	S	S	*	*				-163.6	121.7	120.2	-97.5	-44.8	0	0	0	111.4
129	R	20.6	Very low	23.9	Very low	231 Å²	231	148.9 Å²	148.9	87%	0.872	80%	0.795	S	S	*	*			trans	-68.9	140.1	169.1	-60.4	177	178.1	-166.8	-1.1	108.2
130	L	27.4	Very low	24.1	Very low	164 Å²	164	155 Å²	155	86%	0.859	80%	0.804	S	S	*	*				177.8	120.5	119.2	-90.1	162.1	0	0	0	110.1
131	S	20.7	Very low	24.2	Very low	91 Å²	91	156.1 Å²	156.1	64%	0.636	80%	0.799	S	S	*	*			trans	-36	138.3	161	50.1	0	0	0	0	115
132	M	25.4	Very low	24.2	Very low	167 Å²	167	158.5 Å²	158.5	82%	0.823	81%	0.806	S	S	*	*				174.1	103.8	115.9	-89.1	-69.7	176.1	0	0	110.5
133	N	23.8	Very low	24.5	Very low	117 Å²	117	155.1 Å²	155.1	63%	0.626	80%	0.8	S	S	*	*				58.1	122	125.5	-139.1	10	0	0	0	121.5
134	R	24.4	Very low	24.4	Very low	211 Å²	211	154.1 Å²	154.1	80%	0.796	80%	0.795	S	S	*	*			trans	78.8	95.2	144.3	-81.2	159.8	-162	-157.4	1	119.6	S136	R134-S136 PolarHBondContact O-N 2.79Å
135	N	23.9	Very low	24.6	Very low	165 Å²	165	159.4 Å²	159.4	88%	0.882	80%	0.804	S	S	*	*			trans	-36.3	116.3	137.1	-58.4	-14.4	0	0	0	112.3
136	S	26	Very low	24.5	Very low	114 Å²	114	162.5 Å²	162.5	80%	0.797	81%	0.807	S	S	*	*			trans	-125.1	101.7	149.1	54.2	0	0	0	0	106.7	R134 S138	R134-S136 PolarHBondContact O-N 2.79Å; S136-S138 PolarHBondContact O-N 3.35Å
137	C	22.4	Very low	24.5	Very low	130 Å²	130	159.5 Å²	159.5	88%	0.878	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-53.4	123.1	169	-88.6	0	0	0	0	108.7	L139	C137-L139 PolarHBondContact O-N 3.38Å
138	S	25.5	Very low	24.6	Very low	109 Å²	109	160.8 Å²	160.8	76%	0.762	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-60	120	175.3	50.3	0	0	0	0	110.4	S136 Y140	S136-S138 PolarHBondContact O-N 3.35Å; S138-Y140 PolarHBondContact O-N 3.49Å
139	L	22.7	Very low	24.5	Very low	168 Å²	168	162.5 Å²	162.5	88%	0.88	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-49.4	119.7	163.6	-73.4	157.1	0	0	0	109.3	C137 E141	C137-L139 PolarHBondContact O-N 3.38Å; L139-E141 PolarHBondContact O-N 3.49Å
140	Y	25.3	Very low	24.7	Very low	231 Å²	231	157 Å²	157	91%	0.906	79%	0.793	S	S	*	*			trans	-74.4	110.1	164.8	-125	-95	0	0	0	107.2	S138	S138-Y140 PolarHBondContact O-N 3.49Å
141	E	25.7	Very low	24.7	Very low	166 Å²	166	154.1 Å²	154.1	78%	0.776	79%	0.786	S	S	*	*			trans	-67.6	123.2	-173.8	-163.1	168.3	-170.3	0	0	110.5	L139 V143	L139-E141 PolarHBondContact O-N 3.49Å; E141-V143 PolarHBondContact O-N 2.93Å; E141-V143 VanDerWaalsContact O-N 3.09Å
142	N	22.4	Very low	25	Very low	153 Å²	153	155.7 Å²	155.7	82%	0.818	80%	0.797	S	S	*	*			trans	-68	101.4	171	-84.1	-39.7	0	0	0	108.6	D144	N142-D144 PolarHBondContact O-N 3.45Å
143	V	28.2	Very low	25.1	Very low	113 Å²	113	153.9 Å²	153.9	69%	0.685	80%	0.795	S	S	*	*			trans	-89.6	100.2	170.9	-172.9	0	0	0	0	108.4	E141 Y145	E141-V143 PolarHBondContact O-N 2.93Å; E141-V143 VanDerWaalsContact O-N 3.09Å; V143-Y145 HydrophobicContact CG1-CD2 4.1Å; V143-Y145 HydrophobicContact CG1-CE2 4.47Å; V143-Y145 PolarHBondContact O-N 3.08Å
144	D	23.9	Very low	25.3	Very low	136 Å²	136	151.1 Å²	151.1	73%	0.727	80%	0.795	S	S	*	*			trans	-62.5	108.2	169.7	-70.6	-45.9	0	0	0	110.8	N142	N142-D144 PolarHBondContact O-N 3.45Å
145	Y	27.2	Very low	25.5	Very low	206 Å²	206	149.8 Å²	149.8	81%	0.808	80%	0.803	S	S	*	*			trans	-123.6	106.6	157	-100	-81.5	0	0	0	110.8	V143 T147	V143-Y145 HydrophobicContact CG1-CD2 4.1Å; V143-Y145 HydrophobicContact CG1-CE2 4.47Å; V143-Y145 PolarHBondContact O-N 3.08Å; Y145-T147 PolarHBondContact O-N 3.46Å
146	Y	21.9	Very low	26.1	Very low	218 Å²	218	146.1 Å²	146.1	86%	0.855	79%	0.786	S	S	*	*			trans	-55.6	112.1	161.7	-75.5	-97.8	0	0	0	110.2
147	T	27.2	Very low	26.5	Very low	112 Å²	112	146 Å²	146	69%	0.687	78%	0.776	S	S	*	*			trans	-148.3	96	148.1	-22.1	0	0	0	0	110.1	Y145 Y149	Y145-T147 PolarHBondContact O-N 3.46Å; T147-Y149 HydrophobicContact CG2-CE2 4.37Å; T147-Y149 PolarHBondContact O-N 3.36Å
148	K	24.6	Very low	27.4	Very low	208 Å²	208	143.1 Å²	143.1	90%	0.904	76%	0.758	S	S	*	*			trans	-67	84.5	179.4	-162.2	177.3	-169.7	176.8	0	109.8
149	Y	24.5	Very low	27.8	Very low	202 Å²	202	139.2 Å²	139.2	79%	0.792	74%	0.735	S	S	*	*			trans	-93	123.8	156.9	-83.4	-83.4	0	0	0	108.1	T147 S151	T147-Y149 HydrophobicContact CG2-CE2 4.37Å; T147-Y149 PolarHBondContact O-N 3.36Å; Y149-S151 PolarHBondContact O-N 2.99Å
150	P	26.6	Very low	28.5	Very low	116 Å²	116	138.4 Å²	138.4	75%	0.753	73%	0.732	S	S	*	*			trans	-69.3	101.5	173.5	27.7	-29.2	0	0	0	107.7	S152	P150-S152 PolarHBondContact O-N 3.45Å
151	S	26.1	Very low	28.9	Very low	103 Å²	103	133.7 Å²	133.7	72%	0.72	72%	0.716	S	S	*	*			trans	-62.8	102	170.6	60.4	0	0	0	0	108	Y149 V153	Y149-S151 PolarHBondContact O-N 2.99Å; S151-V153 PolarHBondContact O-N 2.97Å
152	S	26.9	Very low	29.4	Very low	124 Å²	124	128.7 Å²	128.7	87%	0.867	70%	0.699	S	S	*	*			trans	-74.2	67.8	172.8	35.5	0	0	0	0	109.1	P150	P150-S152 PolarHBondContact O-N 3.45Å
153	V	28	Very low	29.9	Very low	129 Å²	129	127.8 Å²	127.8	78%	0.782	70%	0.695	S	S	*	*			trans	-130.1	112.2	177.1	-168.6	0	0	0	0	108.4	S151	S151-V153 PolarHBondContact O-N 2.97Å
154	G	28.2	Very low	30.1	Very low	60 Å²	60	129.3 Å²	129.3	62%	0.619	69%	0.694	S	S	*	*			trans	104.6	42.6	146.7	0	0	0	0	0	118.8
155	L	29.5	Very low	30.3	Very low	183 Å²	183	126.6 Å²	126.6	96%	0.958	69%	0.686	S	S	*	*			trans	-102.9	69.7	150.2	-66.9	-179.1	0	0	0	108.8
156	T	35.2	Very low	30.6	Very low	87 Å²	87	119.3 Å²	119.3	53%	0.534	67%	0.665	S	S	.	*			trans	-94.8	94.4	165.7	62.5	0	0	0	0	107.7	S158	T156-S158 PolarHBondContact O-N 2.78Å
157	D	35.4	Very low	30.8	Very low	111 Å²	111	115.7 Å²	115.7	59%	0.594	66%	0.661	S	S	*	*			trans	-56.8	80.5	156.3	174.7	18.9	0	0	0	107.9	G159	D157-G159 PolarHBondContact O-N 2.84Å
158	S	40.1	Very low	30.7	Very low	70 Å²	70	115.2 Å²	115.2	49%	0.49	66%	0.657	S	S	.	*			trans	-71.3	98.7	174	46.8	0	0	0	0	106.8	T156 N160	T156-S158 PolarHBondContact O-N 2.78Å; S158-N160 PolarHBondContact O-N 3.4Å
159	G	34.7	Very low	30.8	Very low	27 Å²	27	110.6 Å²	110.6	28%	0.278	65%	0.651	S	S	.	*			trans	-49.4	94.1	-178.2	0	0	0	0	0	112.9	D157	D157-G159 PolarHBondContact O-N 2.84Å
160	N	36.1	Very low	30.9	Very low	152 Å²	152	107.7 Å²	107.7	81%	0.813	64%	0.643	S	S	*	*			trans	-115.7	46.5	164.2	-117.3	18	0	0	0	108.7	S158 S162	S158-N160 PolarHBondContact O-N 3.4Å; N160-S162 PolarHBondContact O-N 3.05Å
161	F	35.5	Very low	30.8	Very low	131 Å²	131	107.1 Å²	107.1	58%	0.575	64%	0.642	S	S	*	*			trans	-77.5	63.8	159.4	-67.5	-79.4	0	0	0	108.4
162	S	34.6	Very low	30.7	Very low	61 Å²	61	109.2 Å²	109.2	43%	0.427	64%	0.643	S	S	.	*			trans	-65.7	130.3	149.6	178.5	0	0	0	0	105	N160 Q164 S165	N160-S162 PolarHBondContact O-N 3.05Å; S162-Q164 PolarHBondContact O-N 3Å; S162-S165 PolarHBondContact O-N 2.72Å; S162-S165 PolarHBondContact O-OG 3.21Å
163	N	33.3	Very low	30.4	Very low	135 Å²	135	111.5 Å²	111.5	72%	0.722	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	27.8	173.1	-69.2	-30.9	0	0	0	112.7
164	Q	32.8	Very low	30.2	Very low	144 Å²	144	110 Å²	110	67%	0.673	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	9.4	169.3	-75.9	179.6	-18.7	0	0	112.5	S162 S166	S162-Q164 PolarHBondContact O-N 3Å; Q164-S166 PolarHBondContact O-N 2.86Å
165	S	28.9	Very low	29.9	Very low	80 Å²	80	114.8 Å²	114.8	56%	0.559	65%	0.645	S	S	*	*			trans	-71.3	62.2	165.2	33.5	0	0	0	0	111.4	S162	S162-S165 PolarHBondContact O-N 2.72Å; S162-S165 PolarHBondContact O-OG 3.21Å
166	S	31.9	Very low	29.7	Very low	53 Å²	53	113 Å²	113	37%	0.371	64%	0.636	S	S	.	*			trans	-151.7	38.8	159.5	73.5	0	0	0	0	110.8	Q164	Q164-S166 PolarHBondContact O-N 2.86Å
167	D	26	Very low	29.2	Very low	141 Å²	141	116.3 Å²	116.3	75%	0.754	65%	0.651	S	S	*	*			trans	-116.7	62.2	165.9	-72.1	-26.8	0	0	0	108.1
168	V	25.8	Very low	28.6	Very low	102 Å²	102	114 Å²	114	62%	0.618	65%	0.652	S	S	*	*			trans	-96.6	94.5	167	-169.7	0	0	0	0	107.5	F170	V168-F170 HydrophobicContact CB-CD2 4.29Å; V168-F170 HydrophobicContact CB-CE2 3.89Å; V168-F170 HydrophobicContact CB-CZ 4.47Å; V168-F170 HydrophobicContact CG1-CD1 4.41Å; V168-F170 HydrophobicContact CG1-CD2 3.65Å; V168-F170 HydrophobicContact CG1-CE1 4.01Å; V168-F170 HydrophobicContact CG1-CE2 3.18Å; V168-F170 HydrophobicContact CG1-CG 4.25Å; V168-F170 HydrophobicContact CG1-CZ 3.38Å; V168-F170 PolarHBondContact O-N 2.9Å
169	S	25.7	Very low	27.8	Very low	111 Å²	111	118.5 Å²	118.5	78%	0.776	67%	0.67	S	S	*	*			trans	-71.3	105.6	168.5	47.1	0	0	0	0	109.4
170	F	27.2	Very low	27.4	Very low	141 Å²	141	122.5 Å²	122.5	62%	0.618	69%	0.688	S	S	*	*			trans	-95.7	110.2	171.8	-75.3	-74.3	0	0	0	110.5	V168 I172	V168-F170 HydrophobicContact CB-CD2 4.29Å; V168-F170 HydrophobicContact CB-CE2 3.89Å; V168-F170 HydrophobicContact CB-CZ 4.47Å; V168-F170 HydrophobicContact CG1-CD1 4.41Å; V168-F170 HydrophobicContact CG1-CD2 3.65Å; V168-F170 HydrophobicContact CG1-CE1 4.01Å; V168-F170 HydrophobicContact CG1-CE2 3.18Å; V168-F170 HydrophobicContact CG1-CG 4.25Å; V168-F170 HydrophobicContact CG1-CZ 3.38Å; V168-F170 PolarHBondContact O-N 2.9Å; F170-I172 PolarHBondContact O-N 3.2Å
171	S	24.1	Very low	26.8	Very low	104 Å²	104	123.2 Å²	123.2	73%	0.727	69%	0.692	S	S	*	*			trans	-84.5	99.8	171	-54.9	0	0	0	0	109.5	H173	S171-H173 PolarHBondContact O-ND1 3.05Å
172	I	24	Very low	26.4	Very low	147 Å²	147	125.3 Å²	125.3	75%	0.754	70%	0.704	S	S	*	*			trans	-78.9	119.9	170.1	-75.6	165.4	0	0	0	108.5	F170 S174	F170-I172 PolarHBondContact O-N 3.2Å; I172-S174 PolarHBondContact O-N 2.89Å
173	H	21.3	Very low	25.9	Very low	173 Å²	173	133.9 Å²	133.9	80%	0.801	73%	0.727	S	S	*	*			trans	-78.9	100.2	173	-66.5	69.2	0	0	0	108	S171	S171-H173 PolarHBondContact O-ND1 3.05Å
174	S	23.2	Very low	25.4	Very low	96 Å²	96	135.7 Å²	135.7	67%	0.671	73%	0.733	S	S	*	*			trans	-90.9	108.7	168.4	-162.2	0	0	0	0	108.3	I172 N176	I172-S174 PolarHBondContact O-N 2.89Å; S174-N176 PolarHBondContact O-N 3.13Å
175	I	22	Very low	25	Very low	162 Å²	162	136.1 Å²	136.1	83%	0.831	74%	0.74	S	S	*	*			trans	-64.2	107.6	162.1	-64.2	161.7	0	0	0	105.9
176	N	26.3	Very low	24.9	Very low	144 Å²	144	137.8 Å²	137.8	77%	0.77	75%	0.749	S	S	*	*			trans	-136.1	127.7	164.7	-112.4	60.3	0	0	0	109.2	S174	S174-N176 PolarHBondContact O-N 3.13Å
177	D	24.7	Very low	24.6	Very low	158 Å²	158	143.3 Å²	143.3	85%	0.845	77%	0.769	S	S	*	*			trans	-46.8	143.7	-178.6	-79.7	-52.2	0	0	0	115.5
178	G	23.1	Very low	24.6	Very low	61 Å²	61	144.6 Å²	144.6	63%	0.629	78%	0.776	S	S	*	*				65.4	99.7	111.5	0	0	0	0	0	117.7
179	I	21.9	Very low	24.5	Very low	166 Å²	166	144.7 Å²	144.7	85%	0.851	78%	0.781	S	S	*	*				44.5	116	123.5	-55.8	168.6	0	0	0	115.9
180	V	27.2	Very low	24.7	Very low	110 Å²	110	150.3 Å²	150.3	67%	0.667	79%	0.786	S	S	*	*				-172.3	108.3	121.3	152.6	0	0	0	0	107.3	Q182	V180-Q182 HydrophobicContact CG1-CG 3.76Å; V180-Q182 PolarHBondContact O-N 3.4Å
181	D	22.6	Very low	24.7	Very low	167 Å²	167	150.6 Å²	150.6	89%	0.893	79%	0.79	S	S	*	*			trans	-64.1	112	163.1	-77.4	-49.5	0	0	0	109
182	Q	27.3	Very low	25.1	Very low	176 Å²	176	153.5 Å²	153.5	82%	0.822	80%	0.797	S	S	*	*			trans	-115.8	117.8	161.2	-79.6	-173.3	21.1	0	0	110.9	V180	V180-Q182 HydrophobicContact CG1-CG 3.76Å; V180-Q182 PolarHBondContact O-N 3.4Å
183	R	24.3	Very low	25.4	Very low	240 Å²	240	155.7 Å²	155.7	91%	0.906	80%	0.797	S	S	*	*			trans	-53.6	133.4	-178.3	-66.4	166.5	-179.6	178.7	-1.1	112
184	M	22.5	Very low	26	Very low	174 Å²	174	156.5 Å²	156.5	86%	0.857	80%	0.802	S	S	*	*			trans	-1.2	115.8	141.1	-65.7	-80.5	136.1	0	0	115.3
185	N	26	Very low	26.6	Very low	153 Å²	153	159.6 Å²	159.6	82%	0.818	81%	0.81	S	S	*	*			trans	-146.6	101.1	149.4	-146.7	8.9	0	0	0	109.7
186	P	25.2	Very low	26.8	Very low	114 Å²	114	159.6 Å²	159.6	74%	0.74	81%	0.811	S	S	*	*			trans	-102.5	62.1	-176.3	37.8	-31.3	0	0	0	112.1
187	E	26.4	Very low	26.8	Very low	170 Å²	170	158.7 Å²	158.7	79%	0.794	81%	0.813	S	S	*	*			trans	-151.1	101.2	165.7	-70.6	-166	169.4	0	0	109.8
188	N	26	Very low	27	Very low	168 Å²	168	160 Å²	160	90%	0.898	81%	0.814	S	S	*	*			trans	-168.2	91.4	148.5	-98.1	-14.6	0	0	0	109.1
189	S	24	Very low	27.3	Very low	104 Å²	104	162.5 Å²	162.5	73%	0.727	82%	0.822	S	S	*	*			trans	-71.9	124.3	153	51	0	0	0	0	108.8
190	Y	28.7	Very low	27.7	Very low	228 Å²	228	161.8 Å²	161.8	89%	0.894	82%	0.818	S	S	*	*			trans	178.9	133.3	132.2	-114.7	-94.6	0	0	0	108.6
191	E	27.9	Very low	27.7	Very low	147 Å²	147	161.1 Å²	161.1	69%	0.687	82%	0.817	S	S	*	*			trans	-73.3	134.8	-178.5	-56.3	-158.3	160.5	0	0	111.3	Y193	E191-Y193 WeakPolarHBondContact OE2-CE2 3.31Å
192	D	32.9	Very low	28.4	Very low	165 Å²	165	160.8 Å²	160.8	88%	0.882	81%	0.81	S	S	*	*			trans	-116.2	114.2	159.7	-119.3	-17.7	0	0	0	108	E194	D192-E194 PolarHBondContact O-N 3.09Å
193	Y	30.7	Very low	28.9	Very low	194 Å²	194	160.8 Å²	160.8	76%	0.761	81%	0.81	S	S	*	*			trans	-73	103.1	178.9	-85.7	-104.1	0	0	0	108.8	E191	E191-Y193 WeakPolarHBondContact OE2-CE2 3.31Å
194	E	33.8	Very low	29	Very low	190 Å²	190	157.1 Å²	157.1	89%	0.888	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-83.4	128.7	166.9	-79.7	-158.6	170.8	0	0	111.6	D192	D192-E194 PolarHBondContact O-N 3.09Å
195	D	34.4	Very low	29.2	Very low	160 Å²	160	158.5 Å²	158.5	86%	0.856	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-54	134.8	-172.6	-70.6	-55.2	0	0	0	114.8
196	L	26.4	Very low	29.2	Very low	162 Å²	162	158.8 Å²	158.8	85%	0.848	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-65.8	136.4	171.4	-71.8	164.5	0	0	0	110.6	Q198	L196-Q198 PolarHBondContact O-N 3.1Å
197	P	27.1	Very low	29.5	Very low	125 Å²	125	159.4 Å²	159.4	81%	0.812	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67	128.5	176.7	25.7	-31.3	0	0	0	111.3
198	Q	28.8	Very low	29.6	Very low	186 Å²	186	158.5 Å²	158.5	87%	0.869	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-64.5	151.6	171.8	-100.4	173.4	-17.4	0	0	112.6	L196	L196-Q198 PolarHBondContact O-N 3.1Å
199	S	30.2	Very low	29.5	Very low	114 Å²	114	158.6 Å²	158.6	80%	0.797	80%	0.801	S	S	*	*			trans	82.1	87.8	162.5	69.7	0	0	0	0	117.9
200	I	28.5	Very low	29.6	Very low	150 Å²	150	159.1 Å²	159.1	77%	0.769	80%	0.802	S	S	*	*			trans	-74.3	129.3	158.2	-61	170.9	0	0	0	107.6
201	P	28.5	Very low	29.3	Very low	97 Å²	97	153.1 Å²	153.1	63%	0.63	79%	0.793	S	S	*	*			trans	-58.1	145.4	178	-26	34.9	0	0	0	114.2	E203	P201-E203 PolarHBondContact O-N 3.26Å
202	E	37.9	Very low	29	Very low	159 Å²	159	154.8 Å²	154.8	74%	0.743	80%	0.798	S	S	*	*	G	3₁₀ helix	trans	-54.9	-17.3	-171	-79.6	-105.2	130.7	0	0	116.7	F204	E202-F204 PolarHBondContact O-N 3.47Å; E202-F204 VanDerWaalsContact O-N 3.1Å
203	E	35.9	Very low	28.5	Very low	176 Å²	176	157.8 Å²	157.8	82%	0.822	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-69.3	-9	-175.9	-73.1	-176.6	165.9	0	0	114.5	P201	P201-E203 PolarHBondContact O-N 3.26Å
204	F	26.5	Very low	27.9	Very low	164 Å²	164	156.1 Å²	156.1	72%	0.719	80%	0.803	S	S	*	*	G	3₁₀ helix	trans	-112.3	18.4	-175.3	-64.7	-77.3	0	0	0	114.8	E202	E202-F204 PolarHBondContact O-N 3.47Å; E202-F204 VanDerWaalsContact O-N 3.1Å
205	R	27.6	Very low	27.5	Very low	203 Å²	203	153.4 Å²	153.4	77%	0.766	80%	0.799	S	S	*	*			trans	-98.6	96.9	171.7	-86.2	-177.7	170.8	171	-3.1	111.8	T207	R205-T207 PolarHBondContact O-N 3.49Å
206	D	24.9	Very low	26.8	Very low	158 Å²	158	151.5 Å²	151.5	85%	0.845	79%	0.793	S	S	*	*			trans	-76.4	97.6	162.5	-76.1	-36.5	0	0	0	109.8
207	T	32.3	Very low	26.6	Very low	128 Å²	128	150.3 Å²	150.3	79%	0.785	79%	0.788	S	S	*	*			trans	-131.3	108.6	161.7	40.7	0	0	0	0	111	R205	R205-T207 PolarHBondContact O-N 3.49Å
208	N	29.5	Very low	26.4	Very low	151 Å²	151	149.5 Å²	149.5	81%	0.807	78%	0.781	S	S	*	*			trans	-49.7	138.4	176.4	-64	-60.4	0	0	0	113.1	P210	N208-P210 VanDerWaalsContact O-CD 3.27Å; N208-P210 WeakPolarHBondContact O-CD 3.4Å
209	N	23.9	Very low	26	Very low	169 Å²	169	147.9 Å²	147.9	90%	0.904	78%	0.778	S	S	*	*			trans	-46.5	131.4	162.7	-86	-41.5	0	0	0	112.5
210	P	24.5	Very low	25.7	Very low	116 Å²	116	147.3 Å²	147.3	75%	0.753	77%	0.774	S	S	*	*			trans	-127.5	122.4	132.6	30.2	-14.2	0	0	0	110.6	N208	N208-P210 VanDerWaalsContact O-CD 3.27Å; N208-P210 WeakPolarHBondContact O-CD 3.4Å
211	S	22.5	Very low	25.3	Very low	101 Å²	101	147.2 Å²	147.2	71%	0.706	78%	0.775	S	S	*	*			trans	-12	130.8	158.5	53.1	0	0	0	0	119.4
212	K	21.2	Very low	25	Very low	182 Å²	182	150.7 Å²	150.7	79%	0.791	78%	0.783	S	S	*	*			trans	58.5	103.8	135.2	-71.7	-177.6	173	-177.9	0	118.6
213	Y	22.6	Very low	24.4	Very low	229 Å²	229	150.4 Å²	150.4	90%	0.898	79%	0.787	S	S	*	*			trans	-145.2	109.3	130.8	-90	-80.9	0	0	0	108.6
214	D	19.3	Very low	23.6	Very low	159 Å²	159	150.4 Å²	150.4	85%	0.85	79%	0.787	S	S	*	*			trans	-77	122.6	164.6	-75	-48.5	0	0	0	108.2
215	T	24.9	Very low	23.4	Very low	132 Å²	132	150 Å²	150	81%	0.81	79%	0.791	S	S	*	*			trans	-147.1	113.7	157.4	6.8	0	0	0	0	109.4
216	T	19.1	Very low	23.1	Very low	120 Å²	120	145.9 Å²	145.9	74%	0.736	79%	0.789	S	S	*	*			trans	-55.4	140.3	168.1	48.7	0	0	0	0	112.6
217	N	23.6	Very low	23.1	Very low	137 Å²	137	145.7 Å²	145.7	73%	0.733	79%	0.787	S	S	*	*			trans	171.8	109.2	133.4	-91.4	-5.3	0	0	0	110.9
218	T	21.9	Very low	22.6	Very low	108 Å²	108	146.2 Å²	146.2	66%	0.663	79%	0.785	S	S	*	*				76.5	104.7	100.7	61.2	0	0	0	0	115.5
219	N	19.8	Very low	22.2	Very low	153 Å²	153	143.7 Å²	143.7	82%	0.818	78%	0.779	S	S	*	*				62.1	152.9	123.7	-66.4	-7.1	0	0	0	122.8
220	S	24.3	Very low	22.3	Very low	101 Å²	101	142.6 Å²	142.6	71%	0.706	78%	0.778	S	S	*	*			trans	80.4	93.8	158.6	64.7	0	0	0	0	118.1
221	D	20	Very low	22.3	Very low	148 Å²	148	144 Å²	144	79%	0.791	78%	0.775	S	S	*	*				49.2	136	97.4	-62.8	-29	0	0	0	120.3
222	E	21.8	Very low	22.3	Very low	170 Å²	170	146.4 Å²	146.4	79%	0.794	77%	0.774	S	S	*	*			trans	75.6	114.4	151.4	-69.4	179.7	-171.4	0	0	118.7
223	N	26.5	Very low	22.4	Very low	153 Å²	153	144.6 Å²	144.6	82%	0.818	78%	0.778	S	S	*	*				-176.7	135.7	100.5	-89.3	-55.7	0	0	0	112.7
224	E	18.3	Very low	22.5	Very low	177 Å²	177	139.6 Å²	139.6	83%	0.827	77%	0.772	S	S	*	*			trans	-57.9	159.6	167.3	-63.4	171.5	121.3	0	0	112.3
225	L	23.9	Very low	23.1	Very low	156 Å²	156	137.3 Å²	137.3	82%	0.817	76%	0.76	S	S	*	*				173.7	112	128.3	-89.4	158.9	0	0	0	111.5
226	T	21	Very low	23.3	Very low	115 Å²	115	136 Å²	136	71%	0.706	76%	0.756	S	S	*	*			trans	36.8	121.6	130.7	56.2	0	0	0	0	120.7
227	L	23.5	Very low	23.5	Very low	154 Å²	154	139.3 Å²	139.3	81%	0.806	76%	0.761	S	S	*	*				176.9	115.5	113.6	-133.5	69.3	0	0	0	113.4
228	N	23.4	Very low	23.9	Very low	139 Å²	139	142.2 Å²	142.2	74%	0.743	76%	0.762	S	S	*	*			trans	38.1	111.3	133.3	-57.5	-16.9	0	0	0	122.9
229	S	20.2	Very low	24.6	Very low	99 Å²	99	143.3 Å²	143.3	69%	0.692	76%	0.759	S	S	*	*				48.6	103.2	114.5	-177	0	0	0	0	120.2
230	V	25.5	Very low	24.9	Very low	146 Å²	146	141.6 Å²	141.6	89%	0.885	75%	0.749	S	S	*	*			trans	-140.8	147	144.9	179.7	0	0	0	0	109.7
231	H	24.9	Very low	25.1	Very low	146 Å²	146	142.4 Å²	142.4	68%	0.676	75%	0.746	S	S	*	*			trans	-78.7	149	-152.1	-73.9	-88.5	0	0	0	118.4
232	H	23.3	Very low	25.8	Very low	150 Å²	150	143 Å²	143	69%	0.694	74%	0.741	S	S	*	*			trans	24.5	120	144.3	-59	-73.8	0	0	0	120.6
233	T	22.6	Very low	26.4	Very low	144 Å²	144	141.1 Å²	141.1	88%	0.883	73%	0.732	S	S	*	*	S	Bend	trans	-173.3	5.1	132.1	23.2	0	0	0	0	116.4
234	T	25.3	Very low	26.5	Very low	124 Å²	124	138.8 Å²	138.8	76%	0.761	72%	0.719	S	S	*	*	S	Bend	trans	-120.2	22.5	-176.4	44.6	0	0	0	0	115.9
235	N	31.3	Very low	26.7	Very low	111 Å²	111	136.4 Å²	136.4	59%	0.594	71%	0.711	S	S	*	*			trans	-92.6	-3.8	-179.9	-87.1	-19.4	0	0	0	116	Q239	N235-Q239 PolarHBondContact O-N 3.48Å
236	S	29.9	Very low	26.8	Very low	106 Å²	106	136.4 Å²	136.4	74%	0.741	71%	0.705	S	S	*	*	H	α-helix	trans	-74.8	-31	-179.8	-152.8	0	0	0	0	113.2
237	F	23.8	Very low	27.1	Very low	188 Å²	188	135.3 Å²	135.3	83%	0.825	70%	0.702	S	S	*	*	H	α-helix	trans	-83.2	-20.9	179.7	-86.9	-82.4	0	0	0	114.9
238	R	30.6	Very low	27.1	Very low	199 Å²	199	134.2 Å²	134.2	75%	0.751	70%	0.696	S	S	*	*	H	α-helix	trans	-88.2	-18.1	174.9	-88.7	-177.2	178.5	155.8	0.3	113.8
239	Q	36.9	Very low	27.1	Very low	130 Å²	130	134 Å²	134	61%	0.607	70%	0.695	S	S	*	*	H	α-helix	trans	-75.9	-35.2	179.7	-155.3	148.4	-0.8	0	0	111.9	N235 N241 K242 E243	N235-Q239 PolarHBondContact O-N 3.48Å; Q239-N241 PolarHBondContact O-N 3.15Å; Q239-K242 PolarHBondContact O-N 3.48Å; Q239-E243 PolarHBondContact O-N 3.11Å
240	L	27	Very low	27.4	Very low	117 Å²	117	134 Å²	134	61%	0.613	69%	0.691	S	S	*	*	H	α-helix	trans	-65.5	-36.4	178	-141.6	93.4	0	0	0	113	K242 I244	L240-K242 VanDerWaalsContact C-N 3.33Å; L240-K242 PolarHBondContact O-N 2.77Å; L240-I244 PolarHBondContact O-N 2.9Å
241	N	27	Very low	27.5	Very low	118 Å²	118	135.2 Å²	135.2	63%	0.631	69%	0.687	S	S	*	*	H	α-helix	trans	-75.7	-19.2	178.4	-84.5	-9	0	0	0	113.6	Q239 L245	Q239-N241 PolarHBondContact O-N 3.15Å; N241-L245 PolarHBondContact O-N 2.97Å
242	K	34.9	Very low	27.4	Very low	162 Å²	162	135.2 Å²	135.2	70%	0.704	69%	0.692	S	S	*	*	H	α-helix	trans	-85.1	-31.8	173.4	-78.7	-170.7	176.1	-177.4	0	112.8	Q239 L240 L245 F246	Q239-K242 PolarHBondContact O-N 3.48Å; L240-K242 VanDerWaalsContact C-N 3.33Å; L240-K242 PolarHBondContact O-N 2.77Å; K242-L245 PolarHBondContact O-N 3.23Å; K242-F246 VanDerWaalsContact O-CB 3.29Å; K242-F246 WeakPolarHBondContact O-CB 3.34Å; K242-F246 PolarHBondContact O-N 3.42Å
243	E	35	Very low	27.5	Very low	130 Å²	130	138 Å²	138	61%	0.607	70%	0.702	S	S	*	*	H	α-helix	trans	-66.1	-40.9	173.8	-78.7	-172.7	162.9	0	0	111.8	Q239 L245 F246 S247	Q239-E243 PolarHBondContact O-N 3.11Å; E243-L245 VanDerWaalsContact C-N 3.32Å; E243-L245 PolarHBondContact O-N 3.47Å; E243-F246 PolarHBondContact O-N 3.06Å; E243-S247 PolarHBondContact O-N 2.94Å; E243-S247 PolarHBondContact O-OG 3.36Å
244	I	27.5	Very low	27.5	Very low	103 Å²	103	136.9 Å²	136.9	53%	0.528	70%	0.7	S	S	.	*	H	α-helix	trans	-66.4	-36.1	177.5	-63	173.5	0	0	0	111.5	L240	L240-I244 PolarHBondContact O-N 2.9Å
245	L	24	Very low	27.4	Very low	128 Å²	128	136.2 Å²	136.2	67%	0.67	70%	0.696	S	S	*	*	H	α-helix	trans	-80.1	-24.7	178.7	-159	69.9	0	0	0	113.2	N241 K242 E243	N241-L245 PolarHBondContact O-N 2.97Å; K242-L245 PolarHBondContact O-N 3.23Å; E243-L245 VanDerWaalsContact C-N 3.32Å; E243-L245 PolarHBondContact O-N 3.47Å
246	F	25.7	Very low	27.1	Very low	155 Å²	155	137.7 Å²	137.7	68%	0.68	70%	0.704	S	S	*	*	H	α-helix	trans	-82.8	-29.3	177.7	-140	-91.3	0	0	0	112.9	K242 E243 L248 T250	K242-F246 VanDerWaalsContact O-CB 3.29Å; K242-F246 WeakPolarHBondContact O-CB 3.34Å; K242-F246 PolarHBondContact O-N 3.42Å; E243-F246 PolarHBondContact O-N 3.06Å; F246-L248 PolarHBondContact O-N 3.02Å; F246-T250 HydrophobicContact CE1-CG2 4.31Å
247	S	26.3	Very low	26.9	Very low	93 Å²	93	139.3 Å²	139.3	65%	0.65	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-16.5	175.2	-65.4	0	0	0	0	113.8	E243	E243-S247 PolarHBondContact O-N 2.94Å; E243-S247 PolarHBondContact O-OG 3.36Å
248	L	24.6	Very low	27	Very low	131 Å²	131	138.1 Å²	138.1	69%	0.686	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-8.5	-178.3	-79.2	164.3	0	0	0	115	F246	F246-L248 PolarHBondContact O-N 3.02Å
249	N	24.1	Very low	26.6	Very low	134 Å²	134	137.2 Å²	137.2	72%	0.717	72%	0.716	S	S	*	*	S	Bend	trans	-117.2	12.6	-173	-109.8	-6.3	0	0	0	116.5
250	T	26.1	Very low	26	Very low	99 Å²	99	138.1 Å²	138.1	61%	0.607	73%	0.725	S	S	*	*	S	Bend	trans	-116.3	8.8	177.7	43.7	0	0	0	0	115.6	F246	F246-T250 HydrophobicContact CE1-CG2 4.31Å
251	Q	26.1	Very low	25.8	Very low	172 Å²	172	137.7 Å²	137.7	80%	0.804	73%	0.732	S	S	*	*	S	Bend	trans	-111.6	23.7	177.6	-73	-81	-11.6	0	0	114
252	N	23.8	Very low	25.7	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	74%	0.742	S	S	*	*			trans	-114.6	66.8	171.3	-80.9	-24	0	0	0	110.9
253	K	24.4	Very low	25.1	Very low	209 Å²	209	137.1 Å²	137.1	91%	0.909	74%	0.744	S	S	*	*			trans	-177.9	94.1	156.7	-106	170.1	-174.5	-176.9	0	110.5
254	S	24.3	Very low	24.5	Very low	119 Å²	119	138.9 Å²	138.9	83%	0.832	75%	0.752	S	S	*	*			trans	165.6	110.7	132.1	-174.1	0	0	0	0	108.3
255	T	22.6	Very low	24.3	Very low	110 Å²	110	143.3 Å²	143.3	68%	0.675	77%	0.768	S	S	*	*			trans	-60.2	154.1	167.2	44	0	0	0	0	111.7
256	D	24.6	Very low	24.1	Very low	142 Å²	142	142.3 Å²	142.3	76%	0.759	77%	0.771	S	S	*	*			trans	65.2	86.1	150	-52.3	-28	0	0	0	119.6
257	T	26.1	Very low	24	Very low	140 Å²	140	145 Å²	145	86%	0.859	78%	0.783	S	S	*	*	S	Bend	trans	-151.5	5.8	148.4	-17.9	0	0	0	0	117.1
258	I	25.5	Very low	23.8	Very low	164 Å²	164	145.8 Å²	145.8	84%	0.841	79%	0.789	S	S	*	*	S	Bend	trans	-119.8	6	-174.7	-54.7	-178.7	0	0	0	113.7	N260	I258-N260 PolarHBondContact O-N 3.35Å
259	M	22.2	Very low	23.7	Very low	179 Å²	179	148.5 Å²	148.5	88%	0.882	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	32.6	-176.6	-149.3	-147	-96.4	0	0	115.5
260	N	24	Very low	23.7	Very low	149 Å²	149	151.7 Å²	151.7	80%	0.797	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.6	27.5	179.8	-102.9	-17.9	0	0	0	119.3	I258	I258-N260 PolarHBondContact O-N 3.35Å
261	S	23.9	Very low	23.5	Very low	108 Å²	108	153.3 Å²	153.3	76%	0.755	82%	0.815	S	S	*	*	S	Bend	trans	-130.3	3.2	-177.3	-44.6	0	0	0	0	117.8
262	I	24.9	Very low	23.4	Very low	162 Å²	162	148.9 Å²	148.9	83%	0.831	82%	0.816	S	S	*	*			trans	-129	59.1	176.5	-46.3	-179.9	0	0	0	110
263	S	20.9	Very low	23.1	Very low	107 Å²	107	147.2 Å²	147.2	75%	0.748	82%	0.815	S	S	*	*			trans	-111.9	22.3	164.2	52.3	0	0	0	0	111.7
264	Q	23.7	Very low	23.1	Very low	166 Å²	166	142.5 Å²	142.5	78%	0.776	80%	0.804	S	S	*	*			trans	-135.4	64.1	-179.4	-74.1	-175	-17.3	0	0	111.9
265	F	22.4	Very low	23.1	Very low	196 Å²	196	143.6 Å²	143.6	86%	0.86	80%	0.8	S	S	*	*			trans	-133.1	99.6	149.2	-95.6	-78.4	0	0	0	109.5
266	S	20.4	Very low	23	Very low	107 Å²	107	145.6 Å²	145.6	75%	0.748	81%	0.807	S	S	*	*			trans	-56.1	118	179.2	43.4	0	0	0	0	113.3
267	F	23.4	Very low	22.9	Very low	211 Å²	211	146.1 Å²	146.1	93%	0.925	81%	0.809	S	S	*	*			trans	-86.4	106.5	150.8	-84.7	-79.9	0	0	0	108.4
268	S	21.8	Very low	22.8	Very low	110 Å²	110	146 Å²	146	77%	0.769	80%	0.803	S	S	*	*			trans	-62.8	127.6	175	41.2	0	0	0	0	111.3
269	K	23.6	Very low	22.5	Very low	189 Å²	189	148.1 Å²	148.1	82%	0.822	80%	0.801	S	S	*	*			trans	-45.2	129.3	166.5	-76.7	168.3	167.2	172.7	0	112.5	V271	K269-V271 HydrophobicContact CB-CG2 4.32Å
270	E	23.4	Very low	22.6	Very low	200 Å²	200	149.7 Å²	149.7	94%	0.935	80%	0.802	S	S	*	*			trans	-100.7	126.6	141.1	-83.1	-172.7	159.3	0	0	109.2
271	V	22.1	Very low	22.4	Very low	134 Å²	134	149 Å²	149	81%	0.812	79%	0.794	S	S	*	*			trans	-94.6	114	-175.5	167	0	0	0	0	107.2	K269	K269-V271 HydrophobicContact CB-CG2 4.32Å
272	G	23.8	Very low	22.3	Very low	79 Å²	79	153.4 Å²	153.4	81%	0.814	80%	0.8	S	S	*	*			trans	-142.5	104.6	172.1	0	0	0	0	0	109.3
273	S	18.4	Very low	22.1	Very low	110 Å²	110	153.2 Å²	153.2	77%	0.769	80%	0.796	S	S	*	*			trans	-73.3	167.8	-172.4	-177.8	0	0	0	0	113.2
274	V	24.3	Very low	22	Very low	110 Å²	110	156 Å²	156	67%	0.667	80%	0.797	S	S	*	*			trans	114.9	108.5	147.4	-173	0	0	0	0	116.5
275	N	24.3	Very low	21.9	Very low	143 Å²	143	156.2 Å²	156.2	77%	0.765	80%	0.803	S	S	*	*			trans	87.5	93.8	147	-63.1	-9.5	0	0	0	121.4
276	N	18.9	Very low	21.7	Very low	151 Å²	151	152.8 Å²	152.8	81%	0.807	79%	0.794	S	S	*	*				-2.2	127.3	123.6	-73.1	-30	0	0	0	116.2
277	L	23.9	Very low	21.7	Very low	154 Å²	154	154 Å²	154	81%	0.806	79%	0.791	S	S	*	*				-172.4	122.8	129.2	-97.4	144.6	0	0	0	110.8
278	N	22.9	Very low	21.5	Very low	138 Å²	138	153 Å²	153	74%	0.738	79%	0.789	S	S	*	*			trans	77.2	82.6	151.3	-58.7	-18.5	0	0	0	119.4	K280	N278-K280 PolarHBondContact O-N 3.01Å
279	R	19.1	Very low	21.3	Very low	208 Å²	208	152.2 Å²	152.2	79%	0.785	78%	0.783	S	S	*	*			trans	-28.9	120.2	131.1	-75.7	-178.9	-173	-160.5	1.5	111.6	E281	R279-E281 HydrophobicContact CB-CG 4.42Å; R279-E281 WeakPolarHBondContact CD-OE1 3.44Å; R279-E281 IonicContact CZ-OE1 3.82Å; R279-E281 IonicContact NH1-OE1 2.83Å; R279-E281 PolarHBondContact NH1-OE1 3.36Å
280	K	23.8	Very low	21	Very low	211 Å²	211	148.1 Å²	148.1	92%	0.917	78%	0.779	S	S	*	*			trans	-103.5	97.4	140.3	-86.8	-173.6	174.8	180	0	106.7	N278 F282	N278-K280 PolarHBondContact O-N 3.01Å; K280-F282 PolarHBondContact O-N 3.35Å
281	E	20.8	Very low	20.9	Very low	135 Å²	135	144.1 Å²	144.1	63%	0.631	77%	0.768	S	S	*	*			trans	-58.9	117.7	160.8	-72.9	162.9	172.1	0	0	107.6	R279	R279-E281 HydrophobicContact CB-CG 4.42Å; R279-E281 WeakPolarHBondContact CD-OE1 3.44Å; R279-E281 IonicContact CZ-OE1 3.82Å; R279-E281 IonicContact NH1-OE1 2.83Å; R279-E281 PolarHBondContact NH1-OE1 3.36Å
282	F	21.5	Very low	20.8	Very low	200 Å²	200	146.9 Å²	146.9	88%	0.877	77%	0.772	S	S	*	*			trans	-122.8	119.7	148	-127.7	-88.2	0	0	0	107.8	K280	K280-F282 PolarHBondContact O-N 3.35Å
283	Q	20.5	Very low	20.6	Very low	159 Å²	159	149.2 Å²	149.2	74%	0.743	76%	0.764	S	S	*	*			trans	-60	130.2	-167.9	-71	152.5	-59.6	0	0	112.8	N285	Q283-N285 PolarHBondContact O-N 2.87Å
284	E	19.7	Very low	20.7	Very low	165 Å²	165	150.7 Å²	150.7	77%	0.771	76%	0.762	S	S	*	*				9.9	102.4	125.6	-64.8	179.6	160.5	0	0	115.7	L286	E284-L286 HydrophobicContact CB-CD1 4.22Å
285	N	20.8	Very low	20.5	Very low	170 Å²	170	152 Å²	152	91%	0.909	77%	0.766	S	S	*	*			trans	-107.6	104.1	143.1	-90	-32	0	0	0	107.9	Q283	Q283-N285 PolarHBondContact O-N 2.87Å
286	L	18.9	Very low	20.5	Very low	125 Å²	125	154.8 Å²	154.8	65%	0.654	77%	0.774	S	S	*	*			trans	-58	150.5	173.3	-79.6	100.7	0	0	0	112.7	E284	E284-L286 HydrophobicContact CB-CD1 4.22Å
287	L	19.4	Very low	20.5	Very low	132 Å²	132	156 Å²	156	69%	0.691	77%	0.772	S	S	*	*			trans	50.8	95.6	142.2	-81.8	95.5	0	0	0	117.7
288	H	20.2	Very low	20.4	Very low	190 Å²	190	156.9 Å²	156.9	88%	0.88	77%	0.772	S	S	*	*				-139.7	99.8	112.6	-98.9	-66.2	0	0	0	109.3	S290	H288-S290 PolarHBondContact O-N 3.47Å
289	S	17	Very low	20.3	Very low	94 Å²	94	155 Å²	155	66%	0.657	77%	0.769	S	S	*	*			trans	-62	110	160.8	51.5	0	0	0	0	109.1
290	S	18.2	Very low	20.4	Very low	103 Å²	103	150.9 Å²	150.9	72%	0.72	77%	0.768	S	S	*	*			trans	-139.1	71.1	153.8	-54.8	0	0	0	0	106.2	H288 E292	H288-S290 PolarHBondContact O-N 3.47Å; S290-E292 PolarHBondContact O-N 2.86Å
291	T	20.4	Very low	20.4	Very low	115 Å²	115	144.4 Å²	144.4	71%	0.706	75%	0.749	S	S	*	*			trans	-58.2	75.9	158	37	0	0	0	0	108.8	I293	T291-I293 HydrophobicContact CG2-CD1 4.24Å; T291-I293 HydrophobicContact CG2-CG1 4.31Å; T291-I293 PolarHBondContact O-N 3.09Å
292	E	20	Very low	20.6	Very low	192 Å²	192	143 Å²	143	90%	0.897	75%	0.754	S	S	*	*			trans	-80	80	151.5	-79.8	-170.7	164.8	0	0	106.8	S290	S290-E292 PolarHBondContact O-N 2.86Å
293	I	19.3	Very low	21.2	Very low	128 Å²	128	138.8 Å²	138.8	66%	0.656	74%	0.74	S	S	*	*			trans	-77.9	138.7	164	-50.6	173.8	0	0	0	105.4	T291	T291-I293 HydrophobicContact CG2-CD1 4.24Å; T291-I293 HydrophobicContact CG2-CG1 4.31Å; T291-I293 PolarHBondContact O-N 3.09Å
294	I	21.9	Very low	22.1	Very low	142 Å²	142	138.8 Å²	138.8	73%	0.728	74%	0.74	S	S	*	*	S	Bend	trans	80.4	89.4	161.9	-35.8	-179.1	0	0	0	115.3
295	N	20	Very low	23.4	Very low	138 Å²	138	132.3 Å²	132.3	74%	0.738	71%	0.71	S	S	*	*			trans	-177	26.8	132.5	-95.5	-19.2	0	0	0	116.1	K297	N295-K297 PolarHBondContact O-N 3.49Å
296	E	22.5	Very low	25	Very low	200 Å²	200	127.7 Å²	127.7	94%	0.935	69%	0.689	S	S	*	*			trans	-77.2	81.6	154.6	-75.2	-158.9	167.1	0	0	108.3	Q298	E296-Q298 PolarHBondContact O-N 2.86Å
297	K	20.9	Very low	26.6	Very low	176 Å²	176	124.1 Å²	124.1	77%	0.765	67%	0.673	S	S	*	*			trans	-40.8	117.1	156.9	-75.2	177.7	176.3	178.1	0	106.7	N295 S299	N295-K297 PolarHBondContact O-N 3.49Å; K297-S299 PolarHBondContact O-N 3.34Å
298	Q	21	Very low	28.3	Very low	173 Å²	173	123.7 Å²	123.7	81%	0.808	67%	0.671	S	S	*	*			trans	-40.5	96.9	151	-69.5	170.4	-3.7	0	0	106.5	E296 T300	E296-Q298 PolarHBondContact O-N 2.86Å; Q298-T300 PolarHBondContact O-N 3.1Å
299	S	19.8	Very low	30.4	Very low	98 Å²	98	117.5 Å²	117.5	69%	0.685	64%	0.644	S	S	*	*			trans	-75.9	71.8	168.6	43	0	0	0	0	105.7	K297 S301	K297-S299 PolarHBondContact O-N 3.34Å; S299-S301 PolarHBondContact O-N 2.96Å
300	T	21.2	Very low	33.2	Very low	123 Å²	123	113.5 Å²	113.5	76%	0.755	62%	0.615	S	S	*	*			trans	-68.6	33.6	148	52.3	0	0	0	0	109.8	Q298 S302	Q298-T300 PolarHBondContact O-N 3.1Å; T300-S302 PolarHBondContact O-N 3.49Å
301	S	24.2	Very low	35.7	Very low	74 Å²	74	115.7 Å²	115.7	52%	0.517	61%	0.607	S	S	.	*			trans	-62.8	100.4	162.4	56.9	0	0	0	0	104.8	S299 L303	S299-S301 PolarHBondContact O-N 2.96Å; S301-L303 PolarHBondContact O-N 3.35Å
302	S	26.3	Very low	38.5	Very low	105 Å²	105	112.2 Å²	112.2	73%	0.734	59%	0.586	S	S	*	*			trans	-35.9	85	150.7	48.7	0	0	0	0	108.2	T300 E304	T300-S302 PolarHBondContact O-N 3.49Å; S302-E304 PolarHBondContact O-N 2.75Å
303	L	33.9	Very low	41.4	Very low	113 Å²	113	105.3 Å²	105.3	59%	0.592	56%	0.557	S	S	*	*			trans	-73.3	86.7	177.9	-169.6	78.6	0	0	0	103.4	S301 L305	S301-L303 PolarHBondContact O-N 3.35Å; L303-L305 PolarHBondContact O-N 2.97Å
304	E	37.8	Very low	44.4	Very low	159 Å²	159	105.5 Å²	105.5	74%	0.743	55%	0.553	S	S	*	*			trans	-53.3	107.4	177.7	-74.9	-171.9	157.8	0	0	107	S302 T306	S302-E304 PolarHBondContact O-N 2.75Å; E304-T306 PolarHBondContact O-N 3.03Å
305	L	48	Very low	47.3	Very low	28 Å²	28	102.9 Å²	102.9	15%	0.147	54%	0.537	C	S	.	.			trans	-68.7	81.4	-180	-88.3	157.8	0	0	0	107.3	L303 I309 F310 Y319 Q366 L367 V370	L303-L305 PolarHBondContact O-N 2.97Å; L305-I309 VanDerWaalsContact CA-CD1 3.45Å; L305-I309 HydrophobicContact CB-CD1 4.35Å; L305-I309 HydrophobicContact CD2-CD1 3.89Å; L305-I309 HydrophobicContact CG-CD1 4.43Å; L305-F310 HydrophobicContact CD2-CE2 4.43Å; L305-F310 HydrophobicContact CD2-CZ 4.44Å; L305-Y319 HydrophobicContact CD2-CE1 4.46Å; L305-Q366 HydrophobicContact CD1-CB 3.48Å; L305-Q366 VanDerWaalsContact CD1-CB 3.48Å; L305-Q366 HydrophobicContact CD1-CG 4.44Å; L305-L367 HydrophobicContact CD2-CD2 4.14Å; L305-V370 HydrophobicContact CB-CG2 3.77Å; L305-V370 HydrophobicContact CD2-CG2 4.47Å; L305-V370 VanDerWaalsContact O-CG2 3.27Å; L305-V370 WeakPolarHBondContact O-CG2 3.43Å
306	T	54.3	Low	50.4	Low	74 Å²	74	96.3 Å²	96.3	45%	0.454	50%	0.502	S	S	.	.			trans	-70.2	144.7	174.2	49.1	0	0	0	0	109.4	E304 N308 I309	E304-T306 PolarHBondContact O-N 3.03Å; T306-N308 PolarHBondContact O-N 3.41Å; T306-I309 VanDerWaalsContact N-CD1 3.28Å; T306-I309 WeakPolarHBondContact O-CD1 3.13Å; T306-I309 VanDerWaalsContact O-CG1 3.27Å; T306-I309 WeakPolarHBondContact O-CG1 3.4Å; T306-I309 PolarHBondContact O-N 2.94Å; T306-I309 VanDerWaalsContact O-N 3.15Å
307	P	52.5	Low	53.5	Low	49 Å²	49	88.3 Å²	88.3	32%	0.318	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.7	-175.5	19.4	-30.1	0	0	0	113.8	L374	P307-L374 VanDerWaalsContact O-CD2 3.28Å; P307-L374 WeakPolarHBondContact O-CD2 3.47Å
308	N	55.2	Low	56.5	Low	123 Å²	123	88.5 Å²	88.5	66%	0.658	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	5.2	-177.6	-64.2	-14.8	0	0	0	114.5	T306	T306-N308 PolarHBondContact O-N 3.41Å
309	I	64.7	Low	59.6	Low	61 Å²	61	83.8 Å²	83.8	31%	0.313	44%	0.439	S	S	.	.	S	Bend	trans	-67	-37.9	-176.1	-72.5	167.5	0	0	0	112.5	L305 T306	L305-I309 VanDerWaalsContact CA-CD1 3.45Å; L305-I309 HydrophobicContact CB-CD1 4.35Å; L305-I309 HydrophobicContact CD2-CD1 3.89Å; L305-I309 HydrophobicContact CG-CD1 4.43Å; T306-I309 VanDerWaalsContact N-CD1 3.28Å; T306-I309 WeakPolarHBondContact O-CD1 3.13Å; T306-I309 VanDerWaalsContact O-CG1 3.27Å; T306-I309 WeakPolarHBondContact O-CG1 3.4Å; T306-I309 PolarHBondContact O-N 2.94Å; T306-I309 VanDerWaalsContact O-N 3.15Å
310	F	75.3	Confident	62.9	Low	9 Å²	9	79.1 Å²	79.1	4%	0.039	41%	0.406	C	S	.	.			trans	-102.2	104.6	-176.6	-56	-60.8	0	0	0	110.1	L305 E315 F316 Y319 L367 V370 F466	L305-F310 HydrophobicContact CD2-CE2 4.43Å; L305-F310 HydrophobicContact CD2-CZ 4.44Å; F310-E315 HydrophobicContact CD1-CB 4.38Å; F310-F316 HydrophobicContact CB-CB 4.27Å; F310-F316 HydrophobicContact CD1-CB 3.96Å; F310-F316 HydrophobicContact CD1-CD2 4.27Å; F310-F316 AromaticContact CD2-CD2 3.91Å; F310-F316 HydrophobicContact CD2-CD2 3.91Å; F310-F316 HydrophobicContact CE1-CD2 4.34Å; F310-F316 AromaticContact CE2-CD2 3.98Å; F310-F316 HydrophobicContact CE2-CD2 3.98Å; F310-F316 HydrophobicContact CG-CB 4.07Å; F310-F316 HydrophobicContact CG-CD2 4.06Å; F310-F316 HydrophobicContact CZ-CD2 4.2Å; F310-Y319 HydrophobicContact CE1-CD1 4.05Å; F310-Y319 AromaticContact CE1-CG 3.88Å; F310-Y319 HydrophobicContact CE1-CG 3.88Å; F310-Y319 AromaticContact CZ-CD1 3.57Å; F310-Y319 HydrophobicContact CZ-CD1 3.57Å; F310-Y319 HydrophobicContact CZ-CE1 4.13Å; F310-Y319 AromaticContact CZ-CG 3.87Å; F310-Y319 HydrophobicContact CZ-CG 3.87Å; F310-L367 HydrophobicContact CE2-CD2 3.61Å; F310-L367 HydrophobicContact CZ-CD2 3.87Å; F310-V370 HydrophobicContact CD2-CG1 3.97Å; F310-V370 HydrophobicContact CE2-CG1 4.22Å; F310-F466 HydrophobicContact CB-CD1 4.13Å; F310-F466 HydrophobicContact CB-CE1 3.59Å; F310-F466 WeakPolarHBondContact O-CD1 3.38Å
311	R	71.1	Confident	66.1	Low	150 Å²	150	78.1 Å²	78.1	57%	0.566	40%	0.395	S	S	*	.	S	Bend	trans	-95.3	-23.7	176	-161.9	171.2	-170	163.7	4.7	112	E315	R311-E315 WeakPolarHBondContact CA-OE2 3.5Å; R311-E315 WeakPolarHBondContact CB-OE2 3.43Å; R311-E315 PolarHBondContact N-OE2 3.37Å
312	T	78.3	Confident	69.2	Low	42 Å²	42	78.3 Å²	78.3	26%	0.258	40%	0.395	S	S	.	.	S	Bend	trans	-132	153.4	178	68.4	0	0	0	0	112	K314 E315 F316	T312-K314 PolarHBondContact O-N 2.93Å; T312-E315 PolarHBondContact N-OE2 3.42Å; T312-E315 WeakPolarHBondContact O-CB 3.5Å; T312-E315 PolarHBondContact O-N 2.81Å; T312-E315 VanDerWaalsContact O-N 3.09Å; T312-E315 WeakPolarHBondContact OG1-CG 3.45Å; T312-E315 PolarHBondContact OG1-N 3.47Å; T312-F316 PolarHBondContact O-N 2.95Å; T312-F316 VanDerWaalsContact O-N 3.14Å
313	V	82	Confident	72.2	Confident	47 Å²	47	73.4 Å²	73.4	29%	0.285	36%	0.36	S	S	.	.	H	α-helix	trans	-54.6	-35.2	170.3	-174.5	0	0	0	0	111.3	F316 T317 L459 S462 F466	V313-F316 PolarHBondContact O-N 3.5Å; V313-T317 HydrophobicContact CG1-CG2 3.96Å; V313-T317 WeakPolarHBondContact O-CB 2.99Å; V313-T317 VanDerWaalsContact O-CG2 3.24Å; V313-T317 WeakPolarHBondContact O-CG2 3.03Å; V313-T317 PolarHBondContact O-N 3.02Å; V313-T317 PolarHBondContact O-OG1 3.49Å; V313-L459 HydrophobicContact CG1-CD2 3.87Å; V313-S462 VanDerWaalsContact CG2-CB 3.41Å; V313-F466 HydrophobicContact CB-CD2 4.37Å; V313-F466 HydrophobicContact CG2-CD2 3.54Å; V313-F466 HydrophobicContact CG2-CE2 4.11Å; V313-F466 HydrophobicContact CG2-CG 4.38Å
314	K	81.3	Confident	74.9	Confident	132 Å²	132	69.6 Å²	69.6	57%	0.574	34%	0.339	S	S	*	.	H	α-helix	trans	-66.8	-36.2	-179.9	-170.1	176.9	179	177.8	0	112.3	T312 T317 R318	T312-K314 PolarHBondContact O-N 2.93Å; K314-T317 VanDerWaalsContact CA-OG1 3.29Å; K314-T317 WeakPolarHBondContact CA-OG1 3.48Å; K314-T317 PolarHBondContact O-OG1 3.23Å; K314-R318 WeakPolarHBondContact O-CB 3.43Å; K314-R318 WeakPolarHBondContact O-CG 3.37Å; K314-R318 PolarHBondContact O-N 3Å; K314-R318 VanDerWaalsContact O-N 3.1Å
315	E	83.1	Confident	77.3	Confident	86 Å²	86	63.4 Å²	63.4	40%	0.402	32%	0.319	S	S	.	.	H	α-helix	trans	-68.9	-46.6	174.3	-73.3	158.7	-173.8	0	0	110.8	F310 R311 T312 R318 Y319	F310-E315 HydrophobicContact CD1-CB 4.38Å; R311-E315 WeakPolarHBondContact CA-OE2 3.5Å; R311-E315 WeakPolarHBondContact CB-OE2 3.43Å; R311-E315 PolarHBondContact N-OE2 3.37Å; T312-E315 PolarHBondContact N-OE2 3.42Å; T312-E315 WeakPolarHBondContact O-CB 3.5Å; T312-E315 PolarHBondContact O-N 2.81Å; T312-E315 VanDerWaalsContact O-N 3.09Å; T312-E315 WeakPolarHBondContact OG1-CG 3.45Å; T312-E315 PolarHBondContact OG1-N 3.47Å; E315-R318 PolarHBondContact O-N 3.11Å; E315-Y319 PolarHBondContact O-N 3.35Å; E315-Y319 VanDerWaalsContact O-N 3.13Å
316	F	86.3	Confident	79.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-50	177.1	176.9	-97.9	0	0	0	111.8	F310 T312 V313 R318 Y319 W320 L367 M371 F454 Y455 I458 F466	F310-F316 HydrophobicContact CB-CB 4.27Å; F310-F316 HydrophobicContact CD1-CB 3.96Å; F310-F316 HydrophobicContact CD1-CD2 4.27Å; F310-F316 AromaticContact CD2-CD2 3.91Å; F310-F316 HydrophobicContact CD2-CD2 3.91Å; F310-F316 HydrophobicContact CE1-CD2 4.34Å; F310-F316 AromaticContact CE2-CD2 3.98Å; F310-F316 HydrophobicContact CE2-CD2 3.98Å; F310-F316 HydrophobicContact CG-CB 4.07Å; F310-F316 HydrophobicContact CG-CD2 4.06Å; F310-F316 HydrophobicContact CZ-CD2 4.2Å; T312-F316 PolarHBondContact O-N 2.95Å; T312-F316 VanDerWaalsContact O-N 3.14Å; V313-F316 PolarHBondContact O-N 3.5Å; F316-R318 VanDerWaalsContact C-N 3.34Å; F316-R318 PolarHBondContact O-N 3.15Å; F316-Y319 PolarHBondContact O-N 3Å; F316-Y319 VanDerWaalsContact O-N 3.1Å; F316-W320 HydrophobicContact CD1-CB 4.36Å; F316-W320 HydrophobicContact CE1-CB 3.88Å; F316-W320 HydrophobicContact CE1-CG 4.06Å; F316-W320 HydrophobicContact CE2-CB 4.41Å; F316-W320 HydrophobicContact CZ-CB 3.89Å; F316-W320 HydrophobicContact CZ-CD2 4.2Å; F316-W320 HydrophobicContact CZ-CE3 4.33Å; F316-W320 HydrophobicContact CZ-CG 4.02Å; F316-W320 VanDerWaalsContact O-CB 3.28Å; F316-W320 WeakPolarHBondContact O-CB 3.34Å; F316-W320 PolarHBondContact O-N 3.44Å; F316-L367 HydrophobicContact CE2-CD2 4.45Å; F316-M371 HydrophobicContact CE2-SD 4.38Å; F316-F454 HydrophobicContact CZ-CE1 4.42Å; F316-Y455 AromaticContact CE1-CD2 3.98Å; F316-Y455 HydrophobicContact CE1-CD2 3.98Å; F316-Y455 HydrophobicContact CE1-CE2 4.14Å; F316-I458 HydrophobicContact CD1-CG2 3.77Å; F316-I458 HydrophobicContact CE1-CB 4.17Å; F316-I458 HydrophobicContact CE1-CD1 3.78Å; F316-I458 HydrophobicContact CE1-CG2 3.61Å; F316-I458 HydrophobicContact CE2-CD1 3.96Å; F316-I458 HydrophobicContact CG-CG2 4.42Å; F316-I458 HydrophobicContact CZ-CD1 3.29Å; F316-I458 HydrophobicContact CZ-CG1 4.47Å; F316-I458 HydrophobicContact CZ-CG2 4.14Å; F316-F466 HydrophobicContact CB-CE1 4.24Å; F316-F466 HydrophobicContact CB-CE2 4.43Å; F316-F466 HydrophobicContact CB-CZ 3.76Å; F316-F466 HydrophobicContact CD1-CZ 4.43Å; F316-F466 HydrophobicContact CD2-CZ 4.37Å; F316-F466 AromaticContact CG-CZ 3.92Å; F316-F466 HydrophobicContact CG-CZ 3.92Å
317	T	85.6	Confident	80.9	Confident	32 Å²	32	63.8 Å²	63.8	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-39.5	179.7	47.7	0	0	0	0	112.3	V313 K314 Y319 W320 L321 Y455 L459	V313-T317 HydrophobicContact CG1-CG2 3.96Å; V313-T317 WeakPolarHBondContact O-CB 2.99Å; V313-T317 VanDerWaalsContact O-CG2 3.24Å; V313-T317 WeakPolarHBondContact O-CG2 3.03Å; V313-T317 PolarHBondContact O-N 3.02Å; V313-T317 PolarHBondContact O-OG1 3.49Å; K314-T317 VanDerWaalsContact CA-OG1 3.29Å; K314-T317 WeakPolarHBondContact CA-OG1 3.48Å; K314-T317 PolarHBondContact O-OG1 3.23Å; T317-Y319 VanDerWaalsContact C-N 3.3Å; T317-Y319 PolarHBondContact O-N 3.44Å; T317-W320 PolarHBondContact O-N 2.89Å; T317-L321 VanDerWaalsContact O-CB 3.32Å; T317-L321 WeakPolarHBondContact O-CB 3.35Å; T317-L321 PolarHBondContact O-N 3.28Å; T317-Y455 HydrophobicContact CG2-CE2 4.12Å; T317-L459 HydrophobicContact CG2-CD2 3.92Å
318	R	85.1	Confident	82.7	Confident	180 Å²	180	65.5 Å²	65.5	68%	0.679	31%	0.314	S	S	*	.	H	α-helix	trans	-61.3	-36.5	173.5	-87.3	-178.6	172.2	175.3	-5.7	113.2	K314 E315 F316 P322	K314-R318 WeakPolarHBondContact O-CB 3.43Å; K314-R318 WeakPolarHBondContact O-CG 3.37Å; K314-R318 PolarHBondContact O-N 3Å; K314-R318 VanDerWaalsContact O-N 3.1Å; E315-R318 PolarHBondContact O-N 3.11Å; F316-R318 VanDerWaalsContact C-N 3.34Å; F316-R318 PolarHBondContact O-N 3.15Å; R318-P322 WeakPolarHBondContact O-CD 3.47Å
319	Y	86.4	Confident	84.3	Confident	75 Å²	75	64 Å²	64	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-78.5	-40.8	178.4	-174.9	-96.3	0	0	0	112.2	L305 F310 E315 F316 T317 I323 L367	L305-Y319 HydrophobicContact CD2-CE1 4.46Å; F310-Y319 HydrophobicContact CE1-CD1 4.05Å; F310-Y319 AromaticContact CE1-CG 3.88Å; F310-Y319 HydrophobicContact CE1-CG 3.88Å; F310-Y319 AromaticContact CZ-CD1 3.57Å; F310-Y319 HydrophobicContact CZ-CD1 3.57Å; F310-Y319 HydrophobicContact CZ-CE1 4.13Å; F310-Y319 AromaticContact CZ-CG 3.87Å; F310-Y319 HydrophobicContact CZ-CG 3.87Å; E315-Y319 PolarHBondContact O-N 3.35Å; E315-Y319 VanDerWaalsContact O-N 3.13Å; F316-Y319 PolarHBondContact O-N 3Å; F316-Y319 VanDerWaalsContact O-N 3.1Å; T317-Y319 VanDerWaalsContact C-N 3.3Å; T317-Y319 PolarHBondContact O-N 3.44Å; Y319-I323 HydrophobicContact CD1-CD1 3.64Å; Y319-I323 HydrophobicContact CE1-CD1 3.32Å; Y319-I323 HydrophobicContact CG-CD1 4.48Å; Y319-I323 WeakPolarHBondContact O-CD1 2.93Å; Y319-L367 HydrophobicContact CD1-CD1 4.42Å; Y319-L367 HydrophobicContact CD1-CD2 4.11Å; Y319-L367 HydrophobicContact CE1-CD1 4.08Å; Y319-L367 HydrophobicContact CE1-CD2 3.82Å; Y319-L367 HydrophobicContact CE1-CG 4.26Å
320	W	89.4	Confident	85.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-74.5	-43.4	-174.5	174.2	-100.4	0	0	0	113.7	F316 T317 I323 Q324 I364 L367 V451 F454 Y455	F316-W320 HydrophobicContact CD1-CB 4.36Å; F316-W320 HydrophobicContact CE1-CB 3.88Å; F316-W320 HydrophobicContact CE1-CG 4.06Å; F316-W320 HydrophobicContact CE2-CB 4.41Å; F316-W320 HydrophobicContact CZ-CB 3.89Å; F316-W320 HydrophobicContact CZ-CD2 4.2Å; F316-W320 HydrophobicContact CZ-CE3 4.33Å; F316-W320 HydrophobicContact CZ-CG 4.02Å; F316-W320 VanDerWaalsContact O-CB 3.28Å; F316-W320 WeakPolarHBondContact O-CB 3.34Å; F316-W320 PolarHBondContact O-N 3.44Å; T317-W320 PolarHBondContact O-N 2.89Å; W320-I323 WeakPolarHBondContact O-CA 3.16Å; W320-I323 WeakPolarHBondContact O-CB 3.28Å; W320-I323 PolarHBondContact O-N 2.95Å; W320-Q324 HydrophobicContact CZ2-CB 4.38Å; W320-Q324 PolarHBondContact O-N 3.09Å; W320-I364 HydrophobicContact CH2-CG1 4.47Å; W320-I364 HydrophobicContact CZ3-CG1 4.32Å; W320-L367 HydrophobicContact CE3-CD1 3.65Å; W320-L367 HydrophobicContact CZ3-CD1 3.79Å; W320-V451 HydrophobicContact CH2-CG1 3.93Å; W320-V451 HydrophobicContact CZ2-CG1 3.57Å; W320-F454 HydrophobicContact CE3-CE1 4.26Å; W320-F454 AromaticContact CH2-CD1 3.56Å; W320-F454 HydrophobicContact CH2-CD1 3.56Å; W320-F454 AromaticContact CH2-CE1 3.91Å; W320-F454 HydrophobicContact CH2-CE1 3.91Å; W320-F454 AromaticContact CZ2-CD1 3.96Å; W320-F454 HydrophobicContact CZ2-CD1 3.96Å; W320-F454 AromaticContact CZ3-CD1 3.93Å; W320-F454 HydrophobicContact CZ3-CD1 3.93Å; W320-F454 AromaticContact CZ3-CE1 3.76Å; W320-F454 HydrophobicContact CZ3-CE1 3.76Å; W320-Y455 AromaticContact CD1-CD2 3.1Å; W320-Y455 AromaticContact CD1-CE2 3.33Å; W320-Y455 AromaticContact CD1-CG 3.69Å; W320-Y455 HydrophobicContact CD2-CD2 4.46Å; W320-Y455 AromaticContact CG-CD2 3.91Å; W320-Y455 HydrophobicContact CG-CD2 3.91Å; W320-Y455 HydrophobicContact CG-CE2 4.17Å; W320-Y455 AromaticContact NE1-CD2 3.19Å; W320-Y455 AromaticContact NE1-CE2 3.86Å; W320-Y455 AromaticContact NE1-CG 3.28Å; W320-Y455 VanDerWaalsContact NE1-CG 3.28Å
321	L	88.4	Confident	85.9	Confident	101 Å²	101	62.1 Å²	62.1	53%	0.529	30%	0.295	S	S	.	.	H	α-helix	trans	-58.9	-41.4	-171.5	-153.6	71.9	0	0	0	113.1	T317 I323 Q324 G325	T317-L321 VanDerWaalsContact O-CB 3.32Å; T317-L321 WeakPolarHBondContact O-CB 3.35Å; T317-L321 PolarHBondContact O-N 3.28Å; L321-I323 VanDerWaalsContact C-N 3.35Å; L321-I323 PolarHBondContact O-N 3.39Å; L321-Q324 PolarHBondContact O-N 2.78Å; L321-G325 PolarHBondContact O-N 3.3Å
322	P	89.3	Confident	86.6	Confident	78 Å²	78	58.2 Å²	58.2	51%	0.506	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-35.6	172.1	-23.1	34.9	0	0	0	113.9	R318 R326	R318-P322 WeakPolarHBondContact O-CD 3.47Å; P322-R326 WeakPolarHBondContact O-CG 3.07Å; P322-R326 PolarHBondContact O-N 3.14Å
323	I	88.6	Confident	86.8	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.015	29%	0.292	C	S	.	.	H	α-helix	trans	-67.5	-48.5	177.5	-63.4	165.2	0	0	0	109.9	Y319 W320 L321 G325 R326 I327 I363 L367	Y319-I323 HydrophobicContact CD1-CD1 3.64Å; Y319-I323 HydrophobicContact CE1-CD1 3.32Å; Y319-I323 HydrophobicContact CG-CD1 4.48Å; Y319-I323 WeakPolarHBondContact O-CD1 2.93Å; W320-I323 WeakPolarHBondContact O-CA 3.16Å; W320-I323 WeakPolarHBondContact O-CB 3.28Å; W320-I323 PolarHBondContact O-N 2.95Å; L321-I323 VanDerWaalsContact C-N 3.35Å; L321-I323 PolarHBondContact O-N 3.39Å; I323-G325 VanDerWaalsContact C-N 3.28Å; I323-G325 PolarHBondContact O-N 2.85Å; I323-R326 PolarHBondContact O-N 2.96Å; I323-R326 VanDerWaalsContact O-N 3.16Å; I323-I327 HydrophobicContact CG2-CD1 3.87Å; I323-I327 WeakPolarHBondContact O-CG1 3.28Å; I323-I327 PolarHBondContact O-N 3.24Å; I323-I363 HydrophobicContact CD1-CG2 3.82Å; I323-L367 HydrophobicContact CD1-CD1 4.07Å
324	Q	89.8	Confident	86.8	Confident	32 Å²	32	57.6 Å²	57.6	15%	0.15	28%	0.279	C	S	.	.	H	α-helix	trans	-57.8	-42.5	176.5	-173.2	179.3	6.8	0	0	111.6	W320 L321 I327 H328 V451 N452	W320-Q324 HydrophobicContact CZ2-CB 4.38Å; W320-Q324 PolarHBondContact O-N 3.09Å; L321-Q324 PolarHBondContact O-N 2.78Å; Q324-I327 PolarHBondContact O-N 3.37Å; Q324-H328 WeakPolarHBondContact O-CB 3.22Å; Q324-H328 PolarHBondContact O-N 3Å; Q324-V451 HydrophobicContact CG-CG1 4.1Å; Q324-N452 PolarHBondContact NE2-OD1 3.45Å
325	G	88.5	Confident	86.8	Confident	30 Å²	30	53.8 Å²	53.8	31%	0.309	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-49.1	173.7	0	0	0	0	0	112.7	L321 I323 I327 H328 D329	L321-G325 PolarHBondContact O-N 3.3Å; I323-G325 VanDerWaalsContact C-N 3.28Å; I323-G325 PolarHBondContact O-N 2.85Å; G325-I327 VanDerWaalsContact C-N 3.31Å; G325-I327 PolarHBondContact O-N 3.49Å; G325-H328 PolarHBondContact O-N 2.95Å; G325-D329 PolarHBondContact O-N 3.16Å
326	R	89.7	Confident	86.7	Confident	107 Å²	107	54.8 Å²	54.8	40%	0.404	27%	0.267	S	S	.	.	H	α-helix	trans	-58.9	-40	177.1	-75.1	-172.3	-65	153.3	-6.8	112.9	P322 I323 K330 E360	P322-R326 WeakPolarHBondContact O-CG 3.07Å; P322-R326 PolarHBondContact O-N 3.14Å; I323-R326 PolarHBondContact O-N 2.96Å; I323-R326 VanDerWaalsContact O-N 3.16Å; R326-K330 WeakPolarHBondContact O-CB 3.34Å; R326-K330 WeakPolarHBondContact O-CD 3.43Å; R326-K330 WeakPolarHBondContact O-CG 3.42Å; R326-K330 PolarHBondContact O-N 3.04Å; R326-E360 IonicContact CZ-OE1 3.67Å; R326-E360 IonicContact CZ-OE2 3.67Å; R326-E360 VanDerWaalsContact CZ-OE2 3.26Å; R326-E360 IonicContact NE-OE1 3.57Å; R326-E360 IonicContact NE-OE2 3.82Å; R326-E360 IonicContact NH1-OE1 2.7Å; R326-E360 PolarHBondContact NH1-OE1 2.79Å; R326-E360 IonicContact NH1-OE2 3.39Å; R326-E360 PolarHBondContact NH1-OE2 2.88Å; R326-E360 IonicContact NH2-OE1 2.81Å; R326-E360 IonicContact NH2-OE2 2.88Å; R326-E360 PolarHBondContact NH2-OE2 3.41Å
327	I	88.3	Confident	86.1	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-49	176.9	-66.4	160.2	0	0	0	109.8	I323 Q324 G325 D329 K330 C331 L357 E360 I364 L447 V451	I323-I327 HydrophobicContact CG2-CD1 3.87Å; I323-I327 WeakPolarHBondContact O-CG1 3.28Å; I323-I327 PolarHBondContact O-N 3.24Å; Q324-I327 PolarHBondContact O-N 3.37Å; G325-I327 VanDerWaalsContact C-N 3.31Å; G325-I327 PolarHBondContact O-N 3.49Å; I327-D329 VanDerWaalsContact C-N 3.34Å; I327-D329 PolarHBondContact O-N 3.44Å; I327-K330 PolarHBondContact O-N 2.82Å; I327-C331 WeakPolarHBondContact O-CB 3.48Å; I327-C331 PolarHBondContact O-N 3.34Å; I327-C331 PolarHBondContact O-SG 3.44Å; I327-L357 HydrophobicContact CG2-CD1 4.37Å; I327-E360 HydrophobicContact CD1-CB 4.29Å; I327-E360 HydrophobicContact CG1-CB 3.74Å; I327-E360 HydrophobicContact CG1-CG 3.97Å; I327-I364 HydrophobicContact CD1-CD1 3.35Å; I327-I364 HydrophobicContact CD1-CG1 4.05Å; I327-I364 HydrophobicContact CG1-CD1 4.45Å; I327-L447 HydrophobicContact CG2-CD2 4.38Å; I327-V451 HydrophobicContact CD1-CG2 4.46Å; I327-V451 HydrophobicContact CG2-CG2 4.47Å
328	H	90	Very high	85.5	Confident	86 Å²	86	54 Å²	54	40%	0.398	26%	0.262	S	S	.	.	H	α-helix	trans	-58.7	-45.5	179	-177.6	-84.2	0	0	0	111.8	Q324 G325 K330 C331 L332	Q324-H328 WeakPolarHBondContact O-CB 3.22Å; Q324-H328 PolarHBondContact O-N 3Å; G325-H328 PolarHBondContact O-N 2.95Å; H328-K330 PolarHBondContact O-N 3.19Å; H328-C331 PolarHBondContact O-N 3.26Å; H328-L332 WeakPolarHBondContact O-CB 3.25Å; H328-L332 PolarHBondContact O-N 3.07Å
329	D	88.9	Confident	84.8	Confident	91 Å²	91	50.6 Å²	50.6	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-63.7	-40.9	178.8	-69.4	-20.8	0	0	0	112	G325 I327 L332 N333	G325-D329 PolarHBondContact O-N 3.16Å; I327-D329 VanDerWaalsContact C-N 3.34Å; I327-D329 PolarHBondContact O-N 3.44Å; D329-L332 PolarHBondContact O-N 2.93Å; D329-N333 WeakPolarHBondContact O-CB 3.45Å; D329-N333 PolarHBondContact O-N 3.32Å; D329-N333 PolarHBondContact O-ND2 3.3Å
330	K	86.8	Confident	83.9	Confident	26 Å²	26	51.6 Å²	51.6	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-43.7	175.6	-72.5	168.6	-174.3	180	0	112	R326 I327 H328 L332 N333 L334 Q356 L357 E360	R326-K330 WeakPolarHBondContact O-CB 3.34Å; R326-K330 WeakPolarHBondContact O-CD 3.43Å; R326-K330 WeakPolarHBondContact O-CG 3.42Å; R326-K330 PolarHBondContact O-N 3.04Å; I327-K330 PolarHBondContact O-N 2.82Å; H328-K330 PolarHBondContact O-N 3.19Å; K330-L332 VanDerWaalsContact C-N 3.33Å; K330-L332 PolarHBondContact O-N 3.32Å; K330-N333 PolarHBondContact O-N 2.93Å; K330-L334 WeakPolarHBondContact O-CB 3.45Å; K330-L334 PolarHBondContact O-N 3.37Å; K330-Q356 HydrophobicContact CD-CB 4.06Å; K330-Q356 PolarHBondContact NZ-O 3.35Å; K330-L357 HydrophobicContact CB-CD1 4.29Å; K330-E360 HydrophobicContact CD-CG 4.18Å; K330-E360 VanDerWaalsContact NZ-CG 3.32Å; K330-E360 IonicContact NZ-OE1 2.63Å; K330-E360 PolarHBondContact NZ-OE1 3.39Å
331	C	87	Confident	82.3	Confident	4 Å²	4	58.3 Å²	58.3	3%	0.027	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-42.4	174.8	-73.4	0	0	0	0	111.7	I327 H328 L334 M335 I444	I327-C331 WeakPolarHBondContact O-CB 3.48Å; I327-C331 PolarHBondContact O-N 3.34Å; I327-C331 PolarHBondContact O-SG 3.44Å; H328-C331 PolarHBondContact O-N 3.26Å; C331-L334 PolarHBondContact O-N 3.21Å; C331-M335 WeakPolarHBondContact O-CB 3.02Å; C331-M335 PolarHBondContact O-N 2.87Å; C331-I444 HydrophobicContact CB-CG2 3.71Å
332	L	85.4	Confident	80.8	Confident	68 Å²	68	58.8 Å²	58.8	36%	0.356	30%	0.303	S	S	.	.	H	α-helix	trans	-66.4	-42.2	176.8	-178.7	63.4	0	0	0	111.7	H328 D329 K330 L334 M335 K336	H328-L332 WeakPolarHBondContact O-CB 3.25Å; H328-L332 PolarHBondContact O-N 3.07Å; D329-L332 PolarHBondContact O-N 2.93Å; K330-L332 VanDerWaalsContact C-N 3.33Å; K330-L332 PolarHBondContact O-N 3.32Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L332-M335 PolarHBondContact O-N 2.69Å; L332-K336 HydrophobicContact CG-CD 4.45Å; L332-K336 WeakPolarHBondContact O-CG 3.47Å; L332-K336 PolarHBondContact O-N 3Å
333	N	83.4	Confident	79.2	Confident	75 Å²	75	58.9 Å²	58.9	40%	0.401	30%	0.303	S	S	.	.	H	α-helix	trans	-66.7	-35.8	176.1	-72.3	-21.1	0	0	0	111.9	D329 K330 K336 A337 L353	D329-N333 WeakPolarHBondContact O-CB 3.45Å; D329-N333 PolarHBondContact O-N 3.32Å; D329-N333 PolarHBondContact O-ND2 3.3Å; K330-N333 PolarHBondContact O-N 2.93Å; N333-K336 PolarHBondContact O-N 2.72Å; N333-A337 VanDerWaalsContact O-CB 3.32Å; N333-A337 WeakPolarHBondContact O-CB 3.24Å; N333-A337 PolarHBondContact O-N 2.91Å; N333-L353 HydrophobicContact CB-CD1 4.11Å; N333-L353 HydrophobicContact CB-CD2 4.12Å
334	L	81.5	Confident	77.3	Confident	2 Å²	2	65 Å²	65	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-45.9	173.6	-172.7	65.3	0	0	0	110.7	K330 C331 L332 K336 A337 L338 I350 L353 Y354 F402 L440 I444	K330-L334 WeakPolarHBondContact O-CB 3.45Å; K330-L334 PolarHBondContact O-N 3.37Å; C331-L334 PolarHBondContact O-N 3.21Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L334-K336 PolarHBondContact O-N 3.46Å; L334-A337 PolarHBondContact O-N 3.12Å; L334-L338 HydrophobicContact CG-CD1 4.4Å; L334-L338 VanDerWaalsContact O-CG 3.26Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 3.42Å; L334-I350 HydrophobicContact CD1-CG1 4.23Å; L334-I350 HydrophobicContact CD1-CG2 4.07Å; L334-L353 HydrophobicContact CD1-CB 4.5Å; L334-Y354 HydrophobicContact CD1-CE1 4.07Å; L334-Y354 HydrophobicContact CD2-CD1 4.41Å; L334-Y354 HydrophobicContact CD2-CE1 3.71Å; L334-F402 HydrophobicContact CD2-CE1 4.16Å; L334-L440 HydrophobicContact CD2-CD1 4.38Å; L334-I444 HydrophobicContact CB-CD1 4.31Å; L334-I444 HydrophobicContact CD2-CD1 3.63Å; L334-I444 HydrophobicContact CD2-CG1 4.04Å; L334-I444 HydrophobicContact CG-CD1 3.94Å
335	M	81	Confident	75.5	Confident	51 Å²	51	68.3 Å²	68.3	25%	0.251	35%	0.352	S	S	.	.	H	α-helix	trans	-60.5	-43.3	176	-164.9	176.1	-68.6	0	0	111.8	C331 L332 L338 H339 I444	C331-M335 WeakPolarHBondContact O-CB 3.02Å; C331-M335 PolarHBondContact O-N 2.87Å; L332-M335 PolarHBondContact O-N 2.69Å; M335-L338 PolarHBondContact O-N 2.98Å; M335-H339 PolarHBondContact O-CD2 3.31Å; M335-H339 PolarHBondContact O-N 3.29Å; M335-I444 HydrophobicContact CE-CB 4.49Å; M335-I444 HydrophobicContact CE-CG2 3.82Å
336	K	81	Confident	74	Confident	107 Å²	107	67.3 Å²	67.3	47%	0.465	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-42.6	173.8	-72.8	173.2	-178.9	175.2	0	112.6	L332 N333 L334 L338 H339 N340	L332-K336 HydrophobicContact CG-CD 4.45Å; L332-K336 WeakPolarHBondContact O-CG 3.47Å; L332-K336 PolarHBondContact O-N 3Å; N333-K336 PolarHBondContact O-N 2.72Å; L334-K336 PolarHBondContact O-N 3.46Å; K336-L338 PolarHBondContact O-N 3.48Å; K336-H339 PolarHBondContact O-N 2.85Å; K336-N340 PolarHBondContact O-N 3.07Å; K336-N340 VanDerWaalsContact O-N 3.12Å; K336-N340 PolarHBondContact O-ND2 2.89Å; K336-N340 PolarHBondContact O-OD1 2.94Å
337	A	74.9	Confident	72.7	Confident	7 Å²	7	63.5 Å²	63.5	6%	0.058	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-28	179.6	0	0	0	0	0	112.8	N333 L334 I350	N333-A337 VanDerWaalsContact O-CB 3.32Å; N333-A337 WeakPolarHBondContact O-CB 3.24Å; N333-A337 PolarHBondContact O-N 2.91Å; L334-A337 PolarHBondContact O-N 3.12Å; A337-I350 HydrophobicContact CB-CG1 3.98Å
338	L	71.7	Confident	71.5	Confident	9 Å²	9	70.5 Å²	70.5	5%	0.047	36%	0.361	C	S	.	.	H	α-helix	trans	-77.7	-35	176.6	-67.8	164	0	0	0	113.5	L334 M335 K336 N340 I350 L440 I444	L334-L338 HydrophobicContact CG-CD1 4.4Å; L334-L338 VanDerWaalsContact O-CG 3.26Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 3.42Å; M335-L338 PolarHBondContact O-N 2.98Å; K336-L338 PolarHBondContact O-N 3.48Å; L338-N340 VanDerWaalsContact C-N 3.33Å; L338-I350 HydrophobicContact CD2-CD1 4.12Å; L338-L440 HydrophobicContact CD1-CB 4.42Å; L338-L440 HydrophobicContact CD1-CD2 3.3Å; L338-L440 HydrophobicContact CD1-CG 3.73Å; L338-L440 HydrophobicContact CD2-CD2 3.54Å; L338-L440 HydrophobicContact CG-CD2 3.98Å; L338-I444 HydrophobicContact CD1-CD1 4.25Å
339	H	71.5	Confident	70.5	Confident	108 Å²	108	70.8 Å²	70.8	50%	0.5	37%	0.365	S	S	.	.	H	α-helix	trans	-80.1	-13.5	176.2	-69	-56	0	0	0	113.4	M335 K336 D341 E441	M335-H339 PolarHBondContact O-CD2 3.31Å; M335-H339 PolarHBondContact O-N 3.29Å; K336-H339 PolarHBondContact O-N 2.85Å; H339-D341 PolarHBondContact O-N 3.48Å; H339-E441 IonicContact CE1-OE1 2.93Å; H339-E441 PolarHBondContact CE1-OE1 2.88Å; H339-E441 IonicContact ND1-OE1 3.77Å; H339-E441 IonicContact NE2-OE1 3.46Å; H339-E441 PolarHBondContact NE2-OE1 2.87Å
340	N	67.3	Low	69.7	Low	97 Å²	97	66.6 Å²	66.6	52%	0.519	34%	0.342	S	S	.	.			trans	-76.6	118	173.6	-71.4	-11.4	0	0	0	109.3	K336 L338 D342	K336-N340 PolarHBondContact O-N 3.07Å; K336-N340 VanDerWaalsContact O-N 3.12Å; K336-N340 PolarHBondContact O-ND2 2.89Å; K336-N340 PolarHBondContact O-OD1 2.94Å; L338-N340 VanDerWaalsContact C-N 3.33Å; N340-D342 PolarHBondContact O-N 3.4Å; N340-D342 VanDerWaalsContact O-N 3.1Å
341	D	56.5	Low	69	Low	141 Å²	141	67.1 Å²	67.1	75%	0.754	35%	0.351	S	S	*	.			trans	-66.6	-8.2	-177.3	-69.1	-39.9	0	0	0	114.6	H339 T343	H339-D341 PolarHBondContact O-N 3.48Å; D341-T343 VanDerWaalsContact C-N 3.29Å; D341-T343 PolarHBondContact O-N 3.42Å
342	D	55.8	Low	68.7	Low	110 Å²	110	69.4 Å²	69.4	59%	0.588	37%	0.366	S	S	*	.			trans	-74.1	79.4	177.6	-73.9	-24.1	0	0	0	111.5	N340 M344 N345 S346	N340-D342 PolarHBondContact O-N 3.4Å; N340-D342 VanDerWaalsContact O-N 3.1Å; D342-M344 VanDerWaalsContact C-N 3.3Å; D342-M344 PolarHBondContact O-N 2.72Å; D342-N345 HydrophobicContact CB-CB 4.28Å; D342-N345 PolarHBondContact O-N 3.47Å; D342-N345 VanDerWaalsContact O-N 3.11Å; D342-S346 PolarHBondContact O-N 3.02Å
343	T	54.9	Low	68.4	Low	80 Å²	80	67.4 Å²	67.4	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-46.9	-44.9	-176.8	53	0	0	0	0	114	D341 S346 Y413	D341-T343 VanDerWaalsContact C-N 3.29Å; D341-T343 PolarHBondContact O-N 3.42Å; T343-S346 PolarHBondContact O-OG 3.24Å; T343-Y413 HydrophobicContact CG2-CE1 4.5Å
344	M	49.6	Very low	68.2	Low	132 Å²	132	64.7 Å²	64.7	65%	0.65	34%	0.34	S	S	*	.	H	α-helix	trans	-69.6	-39.3	-178.8	-79.3	-66.7	-161.3	0	0	113.4	D342 T347	D342-M344 VanDerWaalsContact C-N 3.3Å; D342-M344 PolarHBondContact O-N 2.72Å; M344-T347 PolarHBondContact O-OG1 2.92Å
345	N	51.2	Low	68.1	Low	102 Å²	102	68.7 Å²	68.7	55%	0.545	37%	0.365	S	S	.	.	H	α-helix	trans	-76.4	-30.5	179.1	-73.8	-26.3	0	0	0	111.6	D342 T347 L349	D342-N345 HydrophobicContact CB-CB 4.28Å; D342-N345 PolarHBondContact O-N 3.47Å; D342-N345 VanDerWaalsContact O-N 3.11Å; N345-T347 PolarHBondContact O-N 3.41Å; N345-L349 VanDerWaalsContact O-CG 3.28Å; N345-L349 WeakPolarHBondContact O-CG 3.33Å; N345-L349 PolarHBondContact O-N 3.33Å
346	S	58	Low	68.3	Low	8 Å²	8	70.4 Å²	70.4	6%	0.056	37%	0.372	C	S	.	.	H	α-helix	trans	-59.1	-46.1	-178.8	74.8	0	0	0	0	111.8	D342 T343 H348 L349 I350	D342-S346 PolarHBondContact O-N 3.02Å; T343-S346 PolarHBondContact O-OG 3.24Å; S346-H348 PolarHBondContact O-N 3.08Å; S346-L349 PolarHBondContact O-N 3.5Å; S346-I350 WeakPolarHBondContact O-CB 3.37Å; S346-I350 VanDerWaalsContact O-CD1 3.29Å; S346-I350 WeakPolarHBondContact O-CD1 3.37Å; S346-I350 WeakPolarHBondContact O-CG1 3.45Å; S346-I350 PolarHBondContact O-N 3.39Å
347	T	61.4	Low	68.5	Low	28 Å²	28	65.5 Å²	65.5	17%	0.172	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-46.4	-177.1	52.3	0	0	0	0	113.7	M344 N345 L349 I350 A351 Y413	M344-T347 PolarHBondContact O-OG1 2.92Å; N345-T347 PolarHBondContact O-N 3.41Å; T347-L349 VanDerWaalsContact C-N 3.26Å; T347-L349 PolarHBondContact O-N 2.84Å; T347-I350 PolarHBondContact O-N 3.49Å; T347-A351 PolarHBondContact O-N 3.45Å; T347-A351 VanDerWaalsContact O-N 3.1Å; T347-Y413 HydrophobicContact CG2-CD1 4.08Å; T347-Y413 HydrophobicContact CG2-CD2 3.05Å; T347-Y413 HydrophobicContact CG2-CE1 4.48Å; T347-Y413 HydrophobicContact CG2-CE2 3.55Å; T347-Y413 HydrophobicContact CG2-CG 3.38Å
348	H	64.3	Low	69	Low	148 Å²	148	68 Å²	68	69%	0.685	36%	0.363	S	S	*	.	H	α-helix	trans	-67.2	-27.4	178.7	-171.5	-82.2	0	0	0	112.3	S346 P352	S346-H348 PolarHBondContact O-N 3.08Å; H348-P352 WeakPolarHBondContact O-CD 3.4Å; H348-P352 VanDerWaalsContact O-CG 3.24Å; H348-P352 WeakPolarHBondContact O-CG 3.33Å
349	L	68.3	Low	69.7	Low	93 Å²	93	71.9 Å²	71.9	49%	0.487	38%	0.384	S	S	.	.	H	α-helix	trans	-81.5	-35.7	174.3	-67.2	172.7	0	0	0	112.4	N345 S346 T347 P352 L353	N345-L349 VanDerWaalsContact O-CG 3.28Å; N345-L349 WeakPolarHBondContact O-CG 3.33Å; N345-L349 PolarHBondContact O-N 3.33Å; S346-L349 PolarHBondContact O-N 3.5Å; T347-L349 VanDerWaalsContact C-N 3.26Å; T347-L349 PolarHBondContact O-N 2.84Å; L349-P352 WeakPolarHBondContact O-CD 3.41Å; L349-L353 WeakPolarHBondContact O-CD1 3.43Å; L349-L353 VanDerWaalsContact O-CG 3.27Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 2.68Å
350	I	71.6	Confident	70.4	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-71.2	-43.1	-176.1	-74.5	165.9	0	0	0	111.5	L334 A337 L338 S346 T347 L353 Y354	L334-I350 HydrophobicContact CD1-CG1 4.23Å; L334-I350 HydrophobicContact CD1-CG2 4.07Å; A337-I350 HydrophobicContact CB-CG1 3.98Å; L338-I350 HydrophobicContact CD2-CD1 4.12Å; S346-I350 WeakPolarHBondContact O-CB 3.37Å; S346-I350 VanDerWaalsContact O-CD1 3.29Å; S346-I350 WeakPolarHBondContact O-CD1 3.37Å; S346-I350 WeakPolarHBondContact O-CG1 3.45Å; S346-I350 PolarHBondContact O-N 3.39Å; T347-I350 PolarHBondContact O-N 3.49Å; I350-L353 PolarHBondContact O-N 2.99Å; I350-L353 VanDerWaalsContact O-N 3.12Å; I350-Y354 HydrophobicContact CB-CE2 4.49Å; I350-Y354 HydrophobicContact CG2-CD2 3.41Å; I350-Y354 VanDerWaalsContact CG2-CD2 3.41Å; I350-Y354 HydrophobicContact CG2-CE2 3.01Å; I350-Y354 WeakPolarHBondContact O-CD2 3.47Å; I350-Y354 PolarHBondContact O-N 2.81Å
351	A	73.9	Confident	71.3	Confident	37 Å²	37	62.9 Å²	62.9	31%	0.306	34%	0.339	S	S	.	.	H	α-helix	trans	-60.2	-46	-177.7	0	0	0	0	0	113.6	T347 L353 Y354 T355	T347-A351 PolarHBondContact O-N 3.45Å; T347-A351 VanDerWaalsContact O-N 3.1Å; A351-L353 PolarHBondContact O-N 3.41Å; A351-Y354 PolarHBondContact O-N 3.15Å; A351-T355 PolarHBondContact O-N 3.32Å; A351-T355 VanDerWaalsContact O-N 3.15Å
352	P	78.9	Confident	72.7	Confident	53 Å²	53	60 Å²	60	34%	0.344	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-36.5	171.1	-23.7	34	0	0	0	113.8	H348 L349 Y354 T355 Q356	H348-P352 WeakPolarHBondContact O-CD 3.4Å; H348-P352 VanDerWaalsContact O-CG 3.24Å; H348-P352 WeakPolarHBondContact O-CG 3.33Å; L349-P352 WeakPolarHBondContact O-CD 3.41Å; P352-Y354 VanDerWaalsContact C-N 3.33Å; P352-Y354 PolarHBondContact O-N 2.89Å; P352-T355 PolarHBondContact O-N 2.9Å; P352-T355 PolarHBondContact O-OG1 2.86Å; P352-Q356 WeakPolarHBondContact O-CB 3.39Å; P352-Q356 WeakPolarHBondContact O-CG 3.47Å; P352-Q356 PolarHBondContact O-N 2.79Å
353	L	79.4	Confident	74.1	Confident	25 Å²	25	56.4 Å²	56.4	13%	0.131	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-39	177.3	-72.2	172.3	0	0	0	111.3	N333 L334 L349 I350 A351 Q356 L357	N333-L353 HydrophobicContact CB-CD1 4.11Å; N333-L353 HydrophobicContact CB-CD2 4.12Å; L334-L353 HydrophobicContact CD1-CB 4.5Å; L349-L353 WeakPolarHBondContact O-CD1 3.43Å; L349-L353 VanDerWaalsContact O-CG 3.27Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 2.68Å; I350-L353 PolarHBondContact O-N 2.99Å; I350-L353 VanDerWaalsContact O-N 3.12Å; A351-L353 PolarHBondContact O-N 3.41Å; L353-Q356 PolarHBondContact O-N 3.24Å; L353-L357 WeakPolarHBondContact O-CB 3.36Å; L353-L357 PolarHBondContact O-N 3.33Å
354	Y	79.8	Confident	75.7	Confident	19 Å²	19	52.7 Å²	52.7	8%	0.075	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-44.6	174.7	-76.7	-50.4	0	0	0	113.1	L334 I350 A351 P352 Q356 L357 N358 F402 L440	L334-Y354 HydrophobicContact CD1-CE1 4.07Å; L334-Y354 HydrophobicContact CD2-CD1 4.41Å; L334-Y354 HydrophobicContact CD2-CE1 3.71Å; I350-Y354 HydrophobicContact CB-CE2 4.49Å; I350-Y354 HydrophobicContact CG2-CD2 3.41Å; I350-Y354 VanDerWaalsContact CG2-CD2 3.41Å; I350-Y354 HydrophobicContact CG2-CE2 3.01Å; I350-Y354 WeakPolarHBondContact O-CD2 3.47Å; I350-Y354 PolarHBondContact O-N 2.81Å; A351-Y354 PolarHBondContact O-N 3.15Å; P352-Y354 VanDerWaalsContact C-N 3.33Å; P352-Y354 PolarHBondContact O-N 2.89Å; Y354-Q356 VanDerWaalsContact C-N 3.29Å; Y354-Q356 PolarHBondContact O-N 3.32Å; Y354-L357 PolarHBondContact O-N 2.96Å; Y354-N358 WeakPolarHBondContact O-CB 3.33Å; Y354-N358 PolarHBondContact O-N 3.19Å; Y354-F402 HydrophobicContact CD1-CD1 4.3Å; Y354-F402 AromaticContact CE1-CD1 3.73Å; Y354-F402 HydrophobicContact CE1-CD1 3.73Å; Y354-F402 HydrophobicContact CE1-CE1 4.44Å; Y354-L440 HydrophobicContact CE1-CD1 4.42Å; Y354-L440 WeakPolarHBondContact OH-CD1 3.41Å; Y354-L440 WeakPolarHBondContact OH-CD2 3.41Å
355	T	79.5	Confident	77.4	Confident	86 Å²	86	47.4 Å²	47.4	53%	0.528	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-39.6	177.3	58.7	0	0	0	0	111	A351 P352 N358 N359	A351-T355 PolarHBondContact O-N 3.32Å; A351-T355 VanDerWaalsContact O-N 3.15Å; P352-T355 PolarHBondContact O-N 2.9Å; P352-T355 PolarHBondContact O-OG1 2.86Å; T355-N358 PolarHBondContact O-N 2.79Å; T355-N359 PolarHBondContact O-N 2.68Å; T355-N359 VanDerWaalsContact O-N 3.14Å; T355-N359 PolarHBondContact O-ND2 3Å
356	Q	85.1	Confident	79.1	Confident	86 Å²	86	46.7 Å²	46.7	40%	0.402	25%	0.25	S	C	.	.	H	α-helix	trans	-64.9	-36.2	174	-74.7	-180	21.3	0	0	113.4	K330 P352 L353 Y354 E360	K330-Q356 HydrophobicContact CD-CB 4.06Å; K330-Q356 PolarHBondContact NZ-O 3.35Å; P352-Q356 WeakPolarHBondContact O-CB 3.39Å; P352-Q356 WeakPolarHBondContact O-CG 3.47Å; P352-Q356 PolarHBondContact O-N 2.79Å; L353-Q356 PolarHBondContact O-N 3.24Å; Y354-Q356 VanDerWaalsContact C-N 3.29Å; Y354-Q356 PolarHBondContact O-N 3.32Å; Q356-E360 PolarHBondContact O-N 3.21Å
357	L	85.4	Confident	80.5	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-72.7	-40.2	176.9	-170.7	70.1	0	0	0	111	I327 K330 L353 Y354 N359 E360 F361 F402 L447	I327-L357 HydrophobicContact CG2-CD1 4.37Å; K330-L357 HydrophobicContact CB-CD1 4.29Å; L353-L357 WeakPolarHBondContact O-CB 3.36Å; L353-L357 PolarHBondContact O-N 3.33Å; Y354-L357 PolarHBondContact O-N 2.96Å; L357-N359 VanDerWaalsContact C-N 3.26Å; L357-N359 PolarHBondContact O-N 2.96Å; L357-E360 WeakPolarHBondContact O-CA 3.34Å; L357-E360 WeakPolarHBondContact O-CB 3.36Å; L357-E360 PolarHBondContact O-N 2.97Å; L357-F361 HydrophobicContact CD2-CE2 3.84Å; L357-F361 HydrophobicContact CG-CD2 4.09Å; L357-F361 HydrophobicContact CG-CE2 3.75Å; L357-F361 WeakPolarHBondContact O-CD2 3.23Å; L357-F361 PolarHBondContact O-N 3.29Å; L357-F402 HydrophobicContact CD2-CD1 4.28Å; L357-F402 HydrophobicContact CD2-CD2 4.34Å; L357-F402 HydrophobicContact CD2-CE1 4.18Å; L357-F402 HydrophobicContact CD2-CE2 4.31Å; L357-F402 HydrophobicContact CD2-CG 4.35Å; L357-F402 HydrophobicContact CD2-CZ 4.21Å; L357-L447 HydrophobicContact CD1-CD2 4.14Å; L357-L447 HydrophobicContact CD2-CD2 4.13Å
358	N	84.5	Confident	81.8	Confident	58 Å²	58	45 Å²	45	31%	0.31	24%	0.239	S	C	.	.	H	α-helix	trans	-57.5	-39.7	174.6	-171.6	61.8	0	0	0	111.9	Y354 T355 E360 F361 I362	Y354-N358 WeakPolarHBondContact O-CB 3.33Å; Y354-N358 PolarHBondContact O-N 3.19Å; T355-N358 PolarHBondContact O-N 2.79Å; N358-E360 VanDerWaalsContact C-N 3.3Å; N358-E360 PolarHBondContact O-N 3.38Å; N358-F361 WeakPolarHBondContact O-CB 3.25Å; N358-F361 PolarHBondContact O-N 2.93Å; N358-I362 WeakPolarHBondContact O-CG1 3.39Å; N358-I362 PolarHBondContact O-N 3.38Å; N358-I362 VanDerWaalsContact O-N 3.12Å
359	N	86.2	Confident	82.8	Confident	92 Å²	92	41 Å²	41	49%	0.492	23%	0.225	S	C	.	.	H	α-helix	trans	-62.4	-35.6	173.4	-68.2	-18.9	0	0	0	112.6	T355 L357 I363	T355-N359 PolarHBondContact O-N 2.68Å; T355-N359 VanDerWaalsContact O-N 3.14Å; T355-N359 PolarHBondContact O-ND2 3Å; L357-N359 VanDerWaalsContact C-N 3.26Å; L357-N359 PolarHBondContact O-N 2.96Å; N359-I363 WeakPolarHBondContact O-CG1 3.47Å; N359-I363 PolarHBondContact O-N 3.47Å
360	E	87	Confident	83.7	Confident	3 Å²	3	36.7 Å²	36.7	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-70.9	-37.3	174.3	-55.8	-58.5	159.4	0	0	111.9	R326 I327 K330 Q356 L357 N358 I362 I363 I364	R326-E360 IonicContact CZ-OE1 3.67Å; R326-E360 IonicContact CZ-OE2 3.67Å; R326-E360 VanDerWaalsContact CZ-OE2 3.26Å; R326-E360 IonicContact NE-OE1 3.57Å; R326-E360 IonicContact NE-OE2 3.82Å; R326-E360 IonicContact NH1-OE1 2.7Å; R326-E360 PolarHBondContact NH1-OE1 2.79Å; R326-E360 IonicContact NH1-OE2 3.39Å; R326-E360 PolarHBondContact NH1-OE2 2.88Å; R326-E360 IonicContact NH2-OE1 2.81Å; R326-E360 IonicContact NH2-OE2 2.88Å; R326-E360 PolarHBondContact NH2-OE2 3.41Å; I327-E360 HydrophobicContact CD1-CB 4.29Å; I327-E360 HydrophobicContact CG1-CB 3.74Å; I327-E360 HydrophobicContact CG1-CG 3.97Å; K330-E360 HydrophobicContact CD-CG 4.18Å; K330-E360 VanDerWaalsContact NZ-CG 3.32Å; K330-E360 IonicContact NZ-OE1 2.63Å; K330-E360 PolarHBondContact NZ-OE1 3.39Å; Q356-E360 PolarHBondContact O-N 3.21Å; L357-E360 WeakPolarHBondContact O-CA 3.34Å; L357-E360 WeakPolarHBondContact O-CB 3.36Å; L357-E360 PolarHBondContact O-N 2.97Å; N358-E360 VanDerWaalsContact C-N 3.3Å; N358-E360 PolarHBondContact O-N 3.38Å; E360-I362 VanDerWaalsContact C-N 3.28Å; E360-I362 PolarHBondContact O-N 3.27Å; E360-I363 PolarHBondContact O-N 3.22Å; E360-I363 VanDerWaalsContact O-N 3.14Å; E360-I364 WeakPolarHBondContact O-CG1 3.45Å; E360-I364 PolarHBondContact O-N 3.38Å
361	F	86.6	Confident	84.4	Confident	12 Å²	12	36.6 Å²	36.6	5%	0.053	20%	0.202	C	C	.	.	H	α-helix	trans	-58.5	-39.8	174.2	-83.2	-68.7	0	0	0	112.4	L357 N358 I364 S365 M395 L398 A399 F402 L447	L357-F361 HydrophobicContact CD2-CE2 3.84Å; L357-F361 HydrophobicContact CG-CD2 4.09Å; L357-F361 HydrophobicContact CG-CE2 3.75Å; L357-F361 WeakPolarHBondContact O-CD2 3.23Å; L357-F361 PolarHBondContact O-N 3.29Å; N358-F361 WeakPolarHBondContact O-CB 3.25Å; N358-F361 PolarHBondContact O-N 2.93Å; F361-I364 PolarHBondContact O-N 3.36Å; F361-S365 WeakPolarHBondContact O-CB 3.36Å; F361-S365 PolarHBondContact O-N 3.01Å; F361-M395 HydrophobicContact CD1-CB 4.39Å; F361-M395 WeakPolarHBondContact CD1-O 3.34Å; F361-M395 WeakPolarHBondContact CE1-O 3.45Å; F361-M395 HydrophobicContact CE1-SD 4.22Å; F361-L398 HydrophobicContact CE1-CB 4.07Å; F361-L398 HydrophobicContact CZ-CB 4.15Å; F361-A399 HydrophobicContact CB-CB 4.14Å; F361-A399 HydrophobicContact CD1-CB 3.97Å; F361-A399 HydrophobicContact CD2-CB 3.96Å; F361-A399 HydrophobicContact CE1-CB 4.29Å; F361-A399 HydrophobicContact CE2-CB 4.28Å; F361-A399 HydrophobicContact CG-CB 3.78Å; F361-A399 HydrophobicContact CZ-CB 4.43Å; F361-F402 AromaticContact CE2-CD2 3.68Å; F361-F402 HydrophobicContact CE2-CD2 3.68Å; F361-F402 HydrophobicContact CE2-CE2 4.14Å; F361-F402 HydrophobicContact CE2-CG 4.46Å; F361-F402 AromaticContact CZ-CD2 3.62Å; F361-F402 HydrophobicContact CZ-CD2 3.62Å; F361-F402 AromaticContact CZ-CE2 3.78Å; F361-F402 HydrophobicContact CZ-CE2 3.78Å; F361-L447 HydrophobicContact CD1-CD1 4.45Å; F361-L447 HydrophobicContact CE1-CD1 3.36Å; F361-L447 HydrophobicContact CE1-CD2 4.41Å; F361-L447 HydrophobicContact CE1-CG 4.5Å; F361-L447 HydrophobicContact CE2-CD2 4.21Å; F361-L447 HydrophobicContact CZ-CD1 3.45Å; F361-L447 VanDerWaalsContact CZ-CD1 3.45Å; F361-L447 HydrophobicContact CZ-CD2 3.67Å; F361-L447 HydrophobicContact CZ-CG 4.15Å
362	I	85	Confident	84.9	Confident	81 Å²	81	35.6 Å²	35.6	42%	0.415	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-46.3	175.4	-65.8	167.3	0	0	0	110.3	N358 E360 I364 S365 Q366	N358-I362 WeakPolarHBondContact O-CG1 3.39Å; N358-I362 PolarHBondContact O-N 3.38Å; N358-I362 VanDerWaalsContact O-N 3.12Å; E360-I362 VanDerWaalsContact C-N 3.28Å; E360-I362 PolarHBondContact O-N 3.27Å; I362-I364 VanDerWaalsContact C-N 3.34Å; I362-I364 PolarHBondContact O-N 2.99Å; I362-S365 PolarHBondContact O-N 3.44Å; I362-Q366 VanDerWaalsContact O-CG 3.31Å; I362-Q366 WeakPolarHBondContact O-CG 3.37Å; I362-Q366 PolarHBondContact O-N 3.2Å
363	I	86.4	Confident	85.1	Confident	34 Å²	34	34 Å²	34	17%	0.174	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-43	178	-63.7	167.3	0	0	0	110.7	I323 N359 E360 Q366 L367	I323-I363 HydrophobicContact CD1-CG2 3.82Å; N359-I363 WeakPolarHBondContact O-CG1 3.47Å; N359-I363 PolarHBondContact O-N 3.47Å; E360-I363 PolarHBondContact O-N 3.22Å; E360-I363 VanDerWaalsContact O-N 3.14Å; I363-Q366 PolarHBondContact O-N 2.96Å; I363-L367 HydrophobicContact CG2-CD1 4.31Å; I363-L367 WeakPolarHBondContact O-CG 3.36Å; I363-L367 PolarHBondContact O-N 3.28Å
364	I	87.3	Confident	85.2	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-44.3	176.7	-65.1	166.5	0	0	0	110.9	W320 I327 E360 F361 I362 Q366 L367 C368 M395 V451	W320-I364 HydrophobicContact CH2-CG1 4.47Å; W320-I364 HydrophobicContact CZ3-CG1 4.32Å; I327-I364 HydrophobicContact CD1-CD1 3.35Å; I327-I364 HydrophobicContact CD1-CG1 4.05Å; I327-I364 HydrophobicContact CG1-CD1 4.45Å; E360-I364 WeakPolarHBondContact O-CG1 3.45Å; E360-I364 PolarHBondContact O-N 3.38Å; F361-I364 PolarHBondContact O-N 3.36Å; I362-I364 VanDerWaalsContact C-N 3.34Å; I362-I364 PolarHBondContact O-N 2.99Å; I364-Q366 VanDerWaalsContact C-N 3.31Å; I364-Q366 PolarHBondContact O-N 3Å; I364-L367 CarbonylContact O-C 3.54Å; I364-L367 WeakPolarHBondContact O-CB 3.35Å; I364-L367 PolarHBondContact O-N 2.73Å; I364-L367 VanDerWaalsContact O-N 3.15Å; I364-C368 PolarHBondContact O-N 2.85Å; I364-C368 PolarHBondContact O-SG 3.24Å; I364-C368 VanDerWaalsContact O-SG 3.37Å; I364-M395 HydrophobicContact CD1-SD 4.49Å; I364-M395 HydrophobicContact CG2-CB 4.38Å; I364-M395 HydrophobicContact CG2-CE 4.29Å; I364-M395 HydrophobicContact CG2-CG 3.79Å; I364-M395 HydrophobicContact CG2-SD 4.15Å; I364-V451 HydrophobicContact CD1-CG2 4.2Å
365	S	86	Confident	85.3	Confident	21 Å²	21	32.5 Å²	32.5	15%	0.147	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-38.8	178	-177.3	0	0	0	0	111.9	F361 I362 C368 T369 R392 E396	F361-S365 WeakPolarHBondContact O-CB 3.36Å; F361-S365 PolarHBondContact O-N 3.01Å; I362-S365 PolarHBondContact O-N 3.44Å; S365-C368 PolarHBondContact O-N 3.04Å; S365-T369 PolarHBondContact O-N 3.38Å; S365-T369 PolarHBondContact O-OG1 3.46Å; S365-R392 PolarHBondContact OG-NE 3.35Å; S365-E396 PolarHBondContact OG-OE1 3.04Å
366	Q	86.4	Confident	85.3	Confident	87 Å²	87	35 Å²	35	41%	0.407	18%	0.182	S	C	.	.	H	α-helix	trans	-64.1	-43.8	172.3	-68.6	172.2	-16.4	0	0	111.8	L305 I362 I363 I364 T369 V370	L305-Q366 HydrophobicContact CD1-CB 3.48Å; L305-Q366 VanDerWaalsContact CD1-CB 3.48Å; L305-Q366 HydrophobicContact CD1-CG 4.44Å; I362-Q366 VanDerWaalsContact O-CG 3.31Å; I362-Q366 WeakPolarHBondContact O-CG 3.37Å; I362-Q366 PolarHBondContact O-N 3.2Å; I363-Q366 PolarHBondContact O-N 2.96Å; I364-Q366 VanDerWaalsContact C-N 3.31Å; I364-Q366 PolarHBondContact O-N 3Å; Q366-T369 WeakPolarHBondContact O-CB 3.36Å; Q366-T369 PolarHBondContact O-N 3.29Å; Q366-T369 VanDerWaalsContact O-N 3.14Å; Q366-V370 PolarHBondContact O-N 3.21Å
367	L	88.8	Confident	84.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-42.9	174.9	-78.2	175.4	0	0	0	112.4	L305 F310 F316 Y319 W320 I323 I363 I364 T369 V370 M371 F454	L305-L367 HydrophobicContact CD2-CD2 4.14Å; F310-L367 HydrophobicContact CE2-CD2 3.61Å; F310-L367 HydrophobicContact CZ-CD2 3.87Å; F316-L367 HydrophobicContact CE2-CD2 4.45Å; Y319-L367 HydrophobicContact CD1-CD1 4.42Å; Y319-L367 HydrophobicContact CD1-CD2 4.11Å; Y319-L367 HydrophobicContact CE1-CD1 4.08Å; Y319-L367 HydrophobicContact CE1-CD2 3.82Å; Y319-L367 HydrophobicContact CE1-CG 4.26Å; W320-L367 HydrophobicContact CE3-CD1 3.65Å; W320-L367 HydrophobicContact CZ3-CD1 3.79Å; I323-L367 HydrophobicContact CD1-CD1 4.07Å; I363-L367 HydrophobicContact CG2-CD1 4.31Å; I363-L367 WeakPolarHBondContact O-CG 3.36Å; I363-L367 PolarHBondContact O-N 3.28Å; I364-L367 CarbonylContact O-C 3.54Å; I364-L367 WeakPolarHBondContact O-CB 3.35Å; I364-L367 PolarHBondContact O-N 2.73Å; I364-L367 VanDerWaalsContact O-N 3.15Å; L367-T369 PolarHBondContact O-N 3.03Å; L367-V370 WeakPolarHBondContact O-CB 3.49Å; L367-V370 PolarHBondContact O-N 3.5Å; L367-V370 VanDerWaalsContact O-N 3.16Å; L367-M371 WeakPolarHBondContact O-CG 3.26Å; L367-M371 PolarHBondContact O-N 3.29Å; L367-F454 HydrophobicContact CB-CZ 4.35Å
368	C	87.7	Confident	83.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-40.8	172.8	-72.1	0	0	0	0	110.7	I364 S365 M371 I372 R392 F454	I364-C368 PolarHBondContact O-N 2.85Å; I364-C368 PolarHBondContact O-SG 3.24Å; I364-C368 VanDerWaalsContact O-SG 3.37Å; S365-C368 PolarHBondContact O-N 3.04Å; C368-M371 PolarHBondContact O-N 2.98Å; C368-I372 WeakPolarHBondContact O-CB 3.21Å; C368-I372 WeakPolarHBondContact O-CD1 3.37Å; C368-I372 WeakPolarHBondContact O-CG1 3.41Å; C368-I372 PolarHBondContact O-N 3.46Å; C368-R392 HydrophobicContact CB-CB 3.78Å; C368-R392 HydrophobicContact CB-CG 4.08Å; C368-F454 HydrophobicContact CB-CE2 4.39Å; C368-F454 WeakPolarHBondContact SG-CE2 3.44Å
369	T	85.8	Confident	82.5	Confident	65 Å²	65	40.4 Å²	40.4	40%	0.399	22%	0.22	S	C	.	.	H	α-helix	trans	-63.7	-41.2	176.6	-59.1	0	0	0	0	112.2	S365 Q366 L367 I372 G373 R392	S365-T369 PolarHBondContact O-N 3.38Å; S365-T369 PolarHBondContact O-OG1 3.46Å; Q366-T369 WeakPolarHBondContact O-CB 3.36Å; Q366-T369 PolarHBondContact O-N 3.29Å; Q366-T369 VanDerWaalsContact O-N 3.14Å; L367-T369 PolarHBondContact O-N 3.03Å; T369-I372 PolarHBondContact O-N 3.3Å; T369-G373 PolarHBondContact O-N 2.88Å; T369-R392 PolarHBondContact OG1-NH1 2.85Å; T369-R392 VanDerWaalsContact OG1-NH1 3.15Å
370	V	85.9	Confident	81.2	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-46.3	171.6	167	0	0	0	0	111.4	L305 F310 Q366 L367 I372 G373 L374	L305-V370 HydrophobicContact CB-CG2 3.77Å; L305-V370 HydrophobicContact CD2-CG2 4.47Å; L305-V370 VanDerWaalsContact O-CG2 3.27Å; L305-V370 WeakPolarHBondContact O-CG2 3.43Å; F310-V370 HydrophobicContact CD2-CG1 3.97Å; F310-V370 HydrophobicContact CE2-CG1 4.22Å; Q366-V370 PolarHBondContact O-N 3.21Å; L367-V370 WeakPolarHBondContact O-CB 3.49Å; L367-V370 PolarHBondContact O-N 3.5Å; L367-V370 VanDerWaalsContact O-N 3.16Å; V370-I372 VanDerWaalsContact C-N 3.35Å; V370-I372 PolarHBondContact O-N 2.94Å; V370-G373 WeakPolarHBondContact O-CA 3.43Å; V370-G373 PolarHBondContact O-N 3.04Å; V370-G373 VanDerWaalsContact O-N 3.08Å; V370-L374 HydrophobicContact CG1-CD1 4.12Å; V370-L374 PolarHBondContact O-N 3.45Å
371	M	86.6	Confident	79.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.7	-33.3	180	-62.2	-46.6	-74	0	0	112.7	F316 L367 C368 G373 L374 S375 F388 F454 I458 L465 F466	F316-M371 HydrophobicContact CE2-SD 4.38Å; L367-M371 WeakPolarHBondContact O-CG 3.26Å; L367-M371 PolarHBondContact O-N 3.29Å; C368-M371 PolarHBondContact O-N 2.98Å; M371-G373 VanDerWaalsContact C-N 3.34Å; M371-L374 HydrophobicContact SD-CD1 4.02Å; M371-S375 VanDerWaalsContact O-CB 3.29Å; M371-S375 WeakPolarHBondContact O-CB 3.39Å; M371-S375 PolarHBondContact O-N 3.43Å; M371-S375 PolarHBondContact O-OG 3.02Å; M371-F388 HydrophobicContact CB-CD1 3.83Å; M371-F388 HydrophobicContact CB-CD2 4.04Å; M371-F388 HydrophobicContact CB-CE1 3.92Å; M371-F388 HydrophobicContact CB-CE2 4.09Å; M371-F388 HydrophobicContact CB-CG 3.91Å; M371-F388 HydrophobicContact CB-CZ 4.06Å; M371-F388 HydrophobicContact CE-CZ 4.12Å; M371-F388 HydrophobicContact CG-CE1 4.34Å; M371-F454 HydrophobicContact CG-CE2 4.27Å; M371-F454 HydrophobicContact CG-CZ 3.95Å; M371-I458 HydrophobicContact CE-CB 4.23Å; M371-I458 HydrophobicContact CE-CD1 3.81Å; M371-I458 HydrophobicContact CE-CG1 3.66Å; M371-I458 HydrophobicContact CE-CG2 3.67Å; M371-I458 HydrophobicContact CG-CD1 3.82Å; M371-I458 HydrophobicContact CG-CG1 4.42Å; M371-I458 HydrophobicContact SD-CD1 4.2Å; M371-L465 HydrophobicContact CE-CB 4.34Å; M371-L465 HydrophobicContact CE-CD1 3.57Å; M371-L465 HydrophobicContact CE-CD2 3.43Å; M371-L465 VanDerWaalsContact CE-CD2 3.43Å; M371-L465 HydrophobicContact CE-CG 3.95Å; M371-F466 HydrophobicContact CE-CE1 4.43Å; M371-F466 HydrophobicContact CE-CZ 3.91Å
372	I	85.2	Confident	79.2	Confident	15 Å²	15	51.7 Å²	51.7	8%	0.077	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-43	169	-68.3	163.3	0	0	0	110	C368 T369 V370 S375 K376 T385 F388 I389	C368-I372 WeakPolarHBondContact O-CB 3.21Å; C368-I372 WeakPolarHBondContact O-CD1 3.37Å; C368-I372 WeakPolarHBondContact O-CG1 3.41Å; C368-I372 PolarHBondContact O-N 3.46Å; T369-I372 PolarHBondContact O-N 3.3Å; V370-I372 VanDerWaalsContact C-N 3.35Å; V370-I372 PolarHBondContact O-N 2.94Å; I372-S375 WeakPolarHBondContact CA-OG 3.32Å; I372-S375 PolarHBondContact O-OG 3.35Å; I372-S375 VanDerWaalsContact O-OG 3.05Å; I372-K376 HydrophobicContact CG2-CD 4.07Å; I372-K376 WeakPolarHBondContact O-CB 3.25Å; I372-K376 VanDerWaalsContact O-CG 3.24Å; I372-K376 WeakPolarHBondContact O-CG 3.47Å; I372-K376 PolarHBondContact O-N 3.28Å; I372-T385 HydrophobicContact CG2-CG2 4.26Å; I372-F388 HydrophobicContact CG1-CB 3.59Å; I372-I389 HydrophobicContact CD1-CG1 3.81Å; I372-I389 HydrophobicContact CG1-CG1 4.07Å; I372-I389 HydrophobicContact CG2-CG1 4.47Å
373	G	82.1	Confident	78.9	Confident	20 Å²	20	49.6 Å²	49.6	21%	0.206	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-50	175.4	0	0	0	0	0	112.7	T369 V370 M371 K376 Q377	T369-G373 PolarHBondContact O-N 2.88Å; V370-G373 WeakPolarHBondContact O-CA 3.43Å; V370-G373 PolarHBondContact O-N 3.04Å; V370-G373 VanDerWaalsContact O-N 3.08Å; M371-G373 VanDerWaalsContact C-N 3.34Å; G373-K376 PolarHBondContact O-N 2.91Å; G373-Q377 WeakPolarHBondContact O-CG 3.48Å; G373-Q377 PolarHBondContact O-N 3Å; G373-Q377 VanDerWaalsContact O-N 3.07Å
374	L	81.8	Confident	78.7	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-44.2	178.2	-73.2	173.5	0	0	0	112.1	P307 V370 M371 K376 Q377 T378 L465 F466	P307-L374 VanDerWaalsContact O-CD2 3.28Å; P307-L374 WeakPolarHBondContact O-CD2 3.47Å; V370-L374 HydrophobicContact CG1-CD1 4.12Å; V370-L374 PolarHBondContact O-N 3.45Å; M371-L374 HydrophobicContact SD-CD1 4.02Å; L374-K376 VanDerWaalsContact C-N 3.32Å; L374-K376 PolarHBondContact O-N 3.32Å; L374-Q377 WeakPolarHBondContact O-CB 3.43Å; L374-Q377 PolarHBondContact O-N 3.46Å; L374-Q377 VanDerWaalsContact O-N 3.14Å; L374-T378 WeakPolarHBondContact O-CG2 3.37Å; L374-T378 PolarHBondContact O-N 2.99Å; L374-L465 HydrophobicContact CB-CD2 3.67Å; L374-F466 HydrophobicContact CD1-CD1 4.42Å; L374-F466 HydrophobicContact CD1-CE1 4Å
375	S	82.2	Confident	78.6	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-32.1	177.7	54.2	0	0	0	0	113.1	M371 I372 T378 T385	M371-S375 VanDerWaalsContact O-CB 3.29Å; M371-S375 WeakPolarHBondContact O-CB 3.39Å; M371-S375 PolarHBondContact O-N 3.43Å; M371-S375 PolarHBondContact O-OG 3.02Å; I372-S375 WeakPolarHBondContact CA-OG 3.32Å; I372-S375 PolarHBondContact O-OG 3.35Å; I372-S375 VanDerWaalsContact O-OG 3.05Å; S375-T378 WeakPolarHBondContact CA-OG1 3.41Å; S375-T378 PolarHBondContact O-N 2.67Å; S375-T378 PolarHBondContact O-OG1 2.93Å; S375-T385 WeakPolarHBondContact OG-CA 3.39Å; S375-T385 PolarHBondContact OG-OG1 2.71Å
376	K	80.4	Confident	78.6	Confident	137 Å²	137	53.1 Å²	53.1	60%	0.596	29%	0.293	S	S	*	.	H	α-helix	trans	-69.1	-34.5	170.8	-75.3	175.5	179	-178.6	0	113	I372 G373 L374 T378 T385	I372-K376 HydrophobicContact CG2-CD 4.07Å; I372-K376 WeakPolarHBondContact O-CB 3.25Å; I372-K376 VanDerWaalsContact O-CG 3.24Å; I372-K376 WeakPolarHBondContact O-CG 3.47Å; I372-K376 PolarHBondContact O-N 3.28Å; G373-K376 PolarHBondContact O-N 2.91Å; L374-K376 VanDerWaalsContact C-N 3.32Å; L374-K376 PolarHBondContact O-N 3.32Å; K376-T378 VanDerWaalsContact C-N 3.31Å; K376-T385 HydrophobicContact CD-CG2 4.4Å; K376-T385 HydrophobicContact CG-CG2 3.68Å
377	Q	72.6	Confident	78.6	Confident	115 Å²	115	52.7 Å²	52.7	54%	0.537	29%	0.29	S	S	.	.	H	α-helix	trans	-69.8	-32.2	175.7	-70.3	174.3	17.3	0	0	111.7	G373 L374 S379	G373-Q377 WeakPolarHBondContact O-CG 3.48Å; G373-Q377 PolarHBondContact O-N 3Å; G373-Q377 VanDerWaalsContact O-N 3.07Å; L374-Q377 WeakPolarHBondContact O-CB 3.43Å; L374-Q377 PolarHBondContact O-N 3.46Å; L374-Q377 VanDerWaalsContact O-N 3.14Å; Q377-S379 VanDerWaalsContact C-N 3.32Å; Q377-S379 PolarHBondContact O-N 3.39Å
378	T	67.2	Low	78.6	Confident	27 Å²	27	52.7 Å²	52.7	17%	0.166	29%	0.29	C	S	.	.	S	Bend	trans	-73.4	90.2	169.1	63.6	0	0	0	0	107.9	L374 S375 K376 L380 I464	L374-T378 WeakPolarHBondContact O-CG2 3.37Å; L374-T378 PolarHBondContact O-N 2.99Å; S375-T378 WeakPolarHBondContact CA-OG1 3.41Å; S375-T378 PolarHBondContact O-N 2.67Å; S375-T378 PolarHBondContact O-OG1 2.93Å; K376-T378 VanDerWaalsContact C-N 3.31Å; T378-L380 PolarHBondContact O-N 2.87Å; T378-I464 HydrophobicContact CG2-CG2 3.93Å; T378-I464 WeakPolarHBondContact CG2-O 3.03Å
379	S	55.8	Low	78.6	Confident	121 Å²	121	56.4 Å²	56.4	85%	0.846	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	4.8	179.6	60.6	0	0	0	0	116.6	Q377	Q377-S379 VanDerWaalsContact C-N 3.32Å; Q377-S379 PolarHBondContact O-N 3.39Å
380	L	58.6	Low	78.7	Confident	144 Å²	144	56.7 Å²	56.7	75%	0.754	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-20.7	-165.6	-150.9	71.2	0	0	0	114.2	T378	T378-L380 PolarHBondContact O-N 2.87Å
381	D	59.8	Low	78.8	Confident	58 Å²	58	57.2 Å²	57.2	31%	0.31	31%	0.309	S	S	.	.			trans	-146.8	89.3	-169	-152.8	-19.2	0	0	0	115.3	G383 L384 T385	D381-G383 PolarHBondContact O-N 2.87Å; D381-G383 WeakPolarHBondContact OD1-CA 3.47Å; D381-G383 PolarHBondContact OD1-N 3.42Å; D381-L384 HydrophobicContact CB-CB 3.94Å; D381-L384 PolarHBondContact O-N 3.31Å; D381-L384 PolarHBondContact OD1-N 3.4Å; D381-T385 PolarHBondContact O-N 2.91Å; D381-T385 PolarHBondContact O-OG1 3.47Å
382	N	70.8	Confident	78.9	Confident	143 Å²	143	61.4 Å²	61.4	77%	0.765	33%	0.325	S	S	*	.	H	α-helix	trans	-60.6	-28.3	169.9	-74.1	-9.9	0	0	0	112	H386	N382-H386 WeakPolarHBondContact O-CB 3.46Å; N382-H386 PolarHBondContact O-N 3.01Å
383	G	78.8	Confident	79.1	Confident	37 Å²	37	65.2 Å²	65.2	38%	0.381	34%	0.342	S	S	.	.	H	α-helix	trans	-67	-42.3	178.6	0	0	0	0	0	111.7	D381 H386 K387	D381-G383 PolarHBondContact O-N 2.87Å; D381-G383 WeakPolarHBondContact OD1-CA 3.47Å; D381-G383 PolarHBondContact OD1-N 3.42Å; G383-H386 PolarHBondContact O-N 2.69Å; G383-K387 WeakPolarHBondContact O-CG 3.37Å; G383-K387 PolarHBondContact O-N 2.88Å
384	L	82.9	Confident	79.4	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-43	176.9	-173.9	62.2	0	0	0	112.2	D381 H386 K387 F388 T457 N461 L465	D381-L384 HydrophobicContact CB-CB 3.94Å; D381-L384 PolarHBondContact O-N 3.31Å; D381-L384 PolarHBondContact OD1-N 3.4Å; L384-H386 VanDerWaalsContact C-N 3.29Å; L384-H386 PolarHBondContact O-N 3.4Å; L384-K387 WeakPolarHBondContact O-CB 3.39Å; L384-K387 PolarHBondContact O-N 3.18Å; L384-F388 HydrophobicContact CD1-CD2 4.32Å; L384-F388 HydrophobicContact CD1-CE2 3.64Å; L384-F388 HydrophobicContact CD1-CZ 4.06Å; L384-F388 HydrophobicContact CD2-CE2 4.14Å; L384-F388 HydrophobicContact CG-CD2 4.12Å; L384-F388 HydrophobicContact CG-CE2 3.6Å; L384-F388 HydrophobicContact CG-CZ 4.47Å; L384-F388 VanDerWaalsContact O-CD2 3.28Å; L384-F388 WeakPolarHBondContact O-CD2 3.28Å; L384-F388 PolarHBondContact O-N 2.79Å; L384-F388 VanDerWaalsContact O-N 3.15Å; L384-T457 HydrophobicContact CD1-CG2 4.02Å; L384-N461 HydrophobicContact CD1-CB 3.9Å; L384-N461 HydrophobicContact CD2-CB 3.77Å; L384-L465 HydrophobicContact CD2-CD1 4.09Å; L384-L465 HydrophobicContact CD2-CG 4.08Å
385	T	85.7	Confident	79.5	Confident	14 Å²	14	65.9 Å²	65.9	9%	0.086	34%	0.341	C	S	.	.	H	α-helix	trans	-58.5	-44.6	175.1	-58	0	0	0	0	110.8	I372 S375 K376 D381 K387 F388 I389	I372-T385 HydrophobicContact CG2-CG2 4.26Å; S375-T385 WeakPolarHBondContact OG-CA 3.39Å; S375-T385 PolarHBondContact OG-OG1 2.71Å; K376-T385 HydrophobicContact CD-CG2 4.4Å; K376-T385 HydrophobicContact CG-CG2 3.68Å; D381-T385 PolarHBondContact O-N 2.91Å; D381-T385 PolarHBondContact O-OG1 3.47Å; T385-K387 PolarHBondContact O-N 3.14Å; T385-F388 PolarHBondContact O-N 3.1Å; T385-I389 HydrophobicContact CG2-CD1 4.16Å; T385-I389 WeakPolarHBondContact O-CG1 3.48Å; T385-I389 PolarHBondContact O-N 2.83Å; T385-I389 VanDerWaalsContact O-N 3.1Å
386	H	84.9	Confident	79.7	Confident	114 Å²	114	69 Å²	69	53%	0.528	36%	0.356	S	S	.	.	H	α-helix	trans	-62.7	-40.8	178	-169.8	62.8	0	0	0	112.3	N382 G383 L384 F388 I389 I390	N382-H386 WeakPolarHBondContact O-CB 3.46Å; N382-H386 PolarHBondContact O-N 3.01Å; G383-H386 PolarHBondContact O-N 2.69Å; L384-H386 VanDerWaalsContact C-N 3.29Å; L384-H386 PolarHBondContact O-N 3.4Å; H386-F388 PolarHBondContact O-N 3.14Å; H386-I389 WeakPolarHBondContact O-CB 3.42Å; H386-I389 PolarHBondContact O-N 3.19Å; H386-I390 WeakPolarHBondContact O-CG1 3.2Å; H386-I390 PolarHBondContact O-N 3.06Å
387	K	86.6	Confident	80	Confident	78 Å²	78	65.5 Å²	65.5	34%	0.339	34%	0.343	S	S	.	.	H	α-helix	trans	-57.9	-44.7	174.6	-72.6	-178.4	179.5	-166	0	112.3	G383 L384 T385 I389 I390 Y391	G383-K387 WeakPolarHBondContact O-CG 3.37Å; G383-K387 PolarHBondContact O-N 2.88Å; L384-K387 WeakPolarHBondContact O-CB 3.39Å; L384-K387 PolarHBondContact O-N 3.18Å; T385-K387 PolarHBondContact O-N 3.14Å; K387-I389 VanDerWaalsContact C-N 3.34Å; K387-I389 PolarHBondContact O-N 3.09Å; K387-I390 PolarHBondContact O-N 3.22Å; K387-Y391 HydrophobicContact CB-CE2 4.22Å; K387-Y391 WeakPolarHBondContact O-CD2 3.4Å; K387-Y391 PolarHBondContact O-N 3Å
388	F	88.7	Confident	80.6	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68	-31.9	177.5	-68.6	-57.2	0	0	0	113.6	M371 I372 L384 T385 H386 Y391 R392 F454 T457 I458 L465	M371-F388 HydrophobicContact CB-CD1 3.83Å; M371-F388 HydrophobicContact CB-CD2 4.04Å; M371-F388 HydrophobicContact CB-CE1 3.92Å; M371-F388 HydrophobicContact CB-CE2 4.09Å; M371-F388 HydrophobicContact CB-CG 3.91Å; M371-F388 HydrophobicContact CB-CZ 4.06Å; M371-F388 HydrophobicContact CE-CZ 4.12Å; M371-F388 HydrophobicContact CG-CE1 4.34Å; I372-F388 HydrophobicContact CG1-CB 3.59Å; L384-F388 HydrophobicContact CD1-CD2 4.32Å; L384-F388 HydrophobicContact CD1-CE2 3.64Å; L384-F388 HydrophobicContact CD1-CZ 4.06Å; L384-F388 HydrophobicContact CD2-CE2 4.14Å; L384-F388 HydrophobicContact CG-CD2 4.12Å; L384-F388 HydrophobicContact CG-CE2 3.6Å; L384-F388 HydrophobicContact CG-CZ 4.47Å; L384-F388 VanDerWaalsContact O-CD2 3.28Å; L384-F388 WeakPolarHBondContact O-CD2 3.28Å; L384-F388 PolarHBondContact O-N 2.79Å; L384-F388 VanDerWaalsContact O-N 3.15Å; T385-F388 PolarHBondContact O-N 3.1Å; H386-F388 PolarHBondContact O-N 3.14Å; F388-Y391 HydrophobicContact CD1-CD2 4.1Å; F388-R392 WeakPolarHBondContact O-CB 3.32Å; F388-R392 PolarHBondContact O-N 3.09Å; F388-F454 HydrophobicContact CD1-CD2 4.09Å; F388-F454 AromaticContact CD1-CE2 3.77Å; F388-F454 HydrophobicContact CD1-CE2 3.77Å; F388-F454 HydrophobicContact CE1-CD2 4.19Å; F388-F454 AromaticContact CE1-CE2 3.95Å; F388-F454 HydrophobicContact CE1-CE2 3.95Å; F388-T457 HydrophobicContact CE1-CG2 4.39Å; F388-T457 HydrophobicContact CZ-CG2 4.36Å; F388-I458 HydrophobicContact CE1-CD1 4.22Å; F388-I458 HydrophobicContact CE1-CG1 3.61Å; F388-I458 HydrophobicContact CZ-CG1 3.78Å; F388-L465 HydrophobicContact CE2-CD1 3.95Å; F388-L465 HydrophobicContact CE2-CD2 4.04Å; F388-L465 HydrophobicContact CZ-CD1 3.81Å
389	I	87.4	Confident	81.5	Confident	77 Å²	77	59.5 Å²	59.5	40%	0.395	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-44.5	171.1	-66.7	166.9	0	0	0	110.3	I372 T385 H386 K387 R392 Q393	I372-I389 HydrophobicContact CD1-CG1 3.81Å; I372-I389 HydrophobicContact CG1-CG1 4.07Å; I372-I389 HydrophobicContact CG2-CG1 4.47Å; T385-I389 HydrophobicContact CG2-CD1 4.16Å; T385-I389 WeakPolarHBondContact O-CG1 3.48Å; T385-I389 PolarHBondContact O-N 2.83Å; T385-I389 VanDerWaalsContact O-N 3.1Å; H386-I389 WeakPolarHBondContact O-CB 3.42Å; H386-I389 PolarHBondContact O-N 3.19Å; K387-I389 VanDerWaalsContact C-N 3.34Å; K387-I389 PolarHBondContact O-N 3.09Å; I389-R392 WeakPolarHBondContact O-CB 3.46Å; I389-R392 PolarHBondContact O-N 3.46Å; I389-Q393 PolarHBondContact O-N 3.22Å
390	I	88	Confident	82.8	Confident	71 Å²	71	58.5 Å²	58.5	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-48	176.3	-66.5	165.8	0	0	0	110.8	H386 K387 R392 Q393 N394	H386-I390 WeakPolarHBondContact O-CG1 3.2Å; H386-I390 PolarHBondContact O-N 3.06Å; K387-I390 PolarHBondContact O-N 3.22Å; I390-R392 VanDerWaalsContact C-N 3.26Å; I390-R392 PolarHBondContact O-N 3.5Å; I390-Q393 PolarHBondContact O-N 2.78Å; I390-Q393 VanDerWaalsContact O-N 3.13Å; I390-N394 PolarHBondContact O-N 2.85Å
391	Y	89.2	Confident	83.9	Confident	15 Å²	15	55 Å²	55	6%	0.059	28%	0.28	C	S	.	.	H	α-helix	trans	-58.1	-40.5	177.5	-71.6	-49.6	0	0	0	112.2	K387 F388 N394 M395 L453 F454 T457	K387-Y391 HydrophobicContact CB-CE2 4.22Å; K387-Y391 WeakPolarHBondContact O-CD2 3.4Å; K387-Y391 PolarHBondContact O-N 3Å; F388-Y391 HydrophobicContact CD1-CD2 4.1Å; Y391-N394 PolarHBondContact O-N 2.87Å; Y391-M395 WeakPolarHBondContact O-CG 3.42Å; Y391-M395 PolarHBondContact O-N 3.36Å; Y391-L453 HydrophobicContact CE1-CB 3.84Å; Y391-F454 HydrophobicContact CD2-CD2 4.11Å; Y391-F454 HydrophobicContact CG-CB 4.49Å; Y391-F454 HydrophobicContact CG-CD2 4.23Å; Y391-T457 HydrophobicContact CE2-CG2 4.04Å; Y391-T457 PolarHBondContact OH-OG1 2.84Å
392	R	89.2	Confident	85	Confident	88 Å²	88	52.5 Å²	52.5	33%	0.332	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-49.4	175	-173.4	176.9	161.1	-174.6	-11.6	111.6	S365 C368 T369 F388 I389 I390 N394 M395 E396	S365-R392 PolarHBondContact OG-NE 3.35Å; C368-R392 HydrophobicContact CB-CB 3.78Å; C368-R392 HydrophobicContact CB-CG 4.08Å; T369-R392 PolarHBondContact OG1-NH1 2.85Å; T369-R392 VanDerWaalsContact OG1-NH1 3.15Å; F388-R392 WeakPolarHBondContact O-CB 3.32Å; F388-R392 PolarHBondContact O-N 3.09Å; I389-R392 WeakPolarHBondContact O-CB 3.46Å; I389-R392 PolarHBondContact O-N 3.46Å; I390-R392 VanDerWaalsContact C-N 3.26Å; I390-R392 PolarHBondContact O-N 3.5Å; R392-N394 VanDerWaalsContact C-N 3.33Å; R392-N394 PolarHBondContact O-N 3.17Å; R392-M395 PolarHBondContact O-N 2.85Å; R392-E396 IonicContact CZ-OE1 3.48Å; R392-E396 IonicContact NE-OE1 2.81Å; R392-E396 PolarHBondContact NE-OE1 2.94Å; R392-E396 IonicContact NH2-OE1 3.23Å; R392-E396 PolarHBondContact NH2-OE1 3.03Å; R392-E396 WeakPolarHBondContact O-CG 3.48Å; R392-E396 PolarHBondContact O-N 2.89Å
393	Q	88.6	Confident	85.5	Confident	94 Å²	94	49.1 Å²	49.1	44%	0.439	25%	0.247	S	C	.	.	H	α-helix	trans	-61.2	-42.1	179.3	-172.6	64.6	48.3	0	0	111.8	I389 I390 M395 E396 N397	I389-Q393 PolarHBondContact O-N 3.22Å; I390-Q393 PolarHBondContact O-N 2.78Å; I390-Q393 VanDerWaalsContact O-N 3.13Å; Q393-M395 VanDerWaalsContact C-N 3.33Å; Q393-M395 PolarHBondContact O-N 2.8Å; Q393-E396 PolarHBondContact O-N 3.32Å; Q393-N397 PolarHBondContact NE2-OD1 3.02Å; Q393-N397 WeakPolarHBondContact O-CB 3.37Å; Q393-N397 PolarHBondContact O-N 2.85Å; Q393-N397 PolarHBondContact O-ND2 2.76Å; Q393-N397 PolarHBondContact O-OD1 2.87Å
394	N	87.8	Confident	85.5	Confident	45 Å²	45	52.9 Å²	52.9	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-43.7	177.6	-72.6	-4.4	0	0	0	111.4	I390 Y391 R392 N397 L398 E450	I390-N394 PolarHBondContact O-N 2.85Å; Y391-N394 PolarHBondContact O-N 2.87Å; R392-N394 VanDerWaalsContact C-N 3.33Å; R392-N394 PolarHBondContact O-N 3.17Å; N394-N397 PolarHBondContact O-N 3.04Å; N394-L398 WeakPolarHBondContact O-CB 3.4Å; N394-L398 VanDerWaalsContact O-CG 3.27Å; N394-L398 WeakPolarHBondContact O-CG 3.22Å; N394-L398 PolarHBondContact O-N 2.89Å; N394-E450 HydrophobicContact CB-CG 4.48Å; N394-E450 PolarHBondContact ND2-OE2 2.78Å
395	M	85.5	Confident	85.1	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-40.1	177.8	-67.4	-66.7	179	0	0	112.3	F361 I364 Y391 R392 Q393 L398 A399 L447 E450 V451	F361-M395 HydrophobicContact CD1-CB 4.39Å; F361-M395 WeakPolarHBondContact CD1-O 3.34Å; F361-M395 WeakPolarHBondContact CE1-O 3.45Å; F361-M395 HydrophobicContact CE1-SD 4.22Å; I364-M395 HydrophobicContact CD1-SD 4.49Å; I364-M395 HydrophobicContact CG2-CB 4.38Å; I364-M395 HydrophobicContact CG2-CE 4.29Å; I364-M395 HydrophobicContact CG2-CG 3.79Å; I364-M395 HydrophobicContact CG2-SD 4.15Å; Y391-M395 WeakPolarHBondContact O-CG 3.42Å; Y391-M395 PolarHBondContact O-N 3.36Å; R392-M395 PolarHBondContact O-N 2.85Å; Q393-M395 VanDerWaalsContact C-N 3.33Å; Q393-M395 PolarHBondContact O-N 2.8Å; M395-L398 PolarHBondContact O-N 3.23Å; M395-A399 WeakPolarHBondContact O-CB 3.23Å; M395-A399 PolarHBondContact O-N 3.08Å; M395-L447 HydrophobicContact SD-CD1 3.84Å; M395-E450 VanDerWaalsContact CE-C 3.48Å; M395-E450 HydrophobicContact CE-CB 3.6Å; M395-E450 HydrophobicContact SD-CB 4.4Å; M395-V451 HydrophobicContact CE-CB 4.29Å; M395-V451 HydrophobicContact CE-CG2 3.61Å; M395-V451 HydrophobicContact SD-CG2 4.29Å
396	E	86.3	Confident	84.5	Confident	66 Å²	66	53.7 Å²	53.7	31%	0.308	26%	0.258	S	S	.	.	H	α-helix	trans	-65.9	-42.7	176.3	-71.7	173.1	-178.6	0	0	111.4	S365 R392 Q393 A399 E400	S365-E396 PolarHBondContact OG-OE1 3.04Å; R392-E396 IonicContact CZ-OE1 3.48Å; R392-E396 IonicContact NE-OE1 2.81Å; R392-E396 PolarHBondContact NE-OE1 2.94Å; R392-E396 IonicContact NH2-OE1 3.23Å; R392-E396 PolarHBondContact NH2-OE1 3.03Å; R392-E396 WeakPolarHBondContact O-CG 3.48Å; R392-E396 PolarHBondContact O-N 2.89Å; Q393-E396 PolarHBondContact O-N 3.32Å; E396-A399 PolarHBondContact O-N 2.84Å; E396-E400 PolarHBondContact O-N 2.83Å
397	N	86.7	Confident	84	Confident	63 Å²	63	55.2 Å²	55.2	34%	0.337	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-44.3	175	-68.7	-11.7	0	0	0	111.7	Q393 N394 E400 L401	Q393-N397 PolarHBondContact NE2-OD1 3.02Å; Q393-N397 WeakPolarHBondContact O-CB 3.37Å; Q393-N397 PolarHBondContact O-N 2.85Å; Q393-N397 PolarHBondContact O-ND2 2.76Å; Q393-N397 PolarHBondContact O-OD1 2.87Å; N394-N397 PolarHBondContact O-N 3.04Å; N397-E400 PolarHBondContact O-N 2.98Å; N397-L401 WeakPolarHBondContact O-CG 3.5Å; N397-L401 PolarHBondContact O-N 2.97Å
398	L	85.1	Confident	83.1	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-43.7	176.2	-75.3	171.4	0	0	0	111.1	F361 N394 M395 E400 L401 F402 T443 Q446 L447 E450	F361-L398 HydrophobicContact CE1-CB 4.07Å; F361-L398 HydrophobicContact CZ-CB 4.15Å; N394-L398 WeakPolarHBondContact O-CB 3.4Å; N394-L398 VanDerWaalsContact O-CG 3.27Å; N394-L398 WeakPolarHBondContact O-CG 3.22Å; N394-L398 PolarHBondContact O-N 2.89Å; M395-L398 PolarHBondContact O-N 3.23Å; L398-E400 VanDerWaalsContact C-N 3.29Å; L398-E400 PolarHBondContact O-N 3.45Å; L398-L401 HydrophobicContact CD2-CD1 4.49Å; L398-L401 PolarHBondContact O-N 3.49Å; L398-F402 WeakPolarHBondContact O-CD2 3.29Å; L398-F402 PolarHBondContact O-N 2.81Å; L398-T443 HydrophobicContact CD2-CG2 3.88Å; L398-Q446 HydrophobicContact CD2-CB 4.34Å; L398-Q446 HydrophobicContact CD2-CG 4.1Å; L398-L447 HydrophobicContact CD1-CB 4.23Å; L398-L447 HydrophobicContact CD1-CD1 4.11Å; L398-E450 HydrophobicContact CD1-CB 4.38Å; L398-E450 HydrophobicContact CD1-CG 4.13Å
399	A	85.7	Confident	82	Confident	14 Å²	14	55.4 Å²	55.4	12%	0.116	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-42.2	175.7	0	0	0	0	0	111.8	F361 M395 E396 F402 I403	F361-A399 HydrophobicContact CB-CB 4.14Å; F361-A399 HydrophobicContact CD1-CB 3.97Å; F361-A399 HydrophobicContact CD2-CB 3.96Å; F361-A399 HydrophobicContact CE1-CB 4.29Å; F361-A399 HydrophobicContact CE2-CB 4.28Å; F361-A399 HydrophobicContact CG-CB 3.78Å; F361-A399 HydrophobicContact CZ-CB 4.43Å; M395-A399 WeakPolarHBondContact O-CB 3.23Å; M395-A399 PolarHBondContact O-N 3.08Å; E396-A399 PolarHBondContact O-N 2.84Å; A399-F402 PolarHBondContact O-N 3.15Å; A399-I403 WeakPolarHBondContact O-CG1 3.34Å; A399-I403 PolarHBondContact O-N 2.88Å
400	E	83.7	Confident	80.7	Confident	99 Å²	99	54 Å²	54	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-65	-41.7	175.9	-163.4	-172	156.4	0	0	112.3	E396 N397 L398 I403 K404	E396-E400 PolarHBondContact O-N 2.83Å; N397-E400 PolarHBondContact O-N 2.98Å; L398-E400 VanDerWaalsContact C-N 3.29Å; L398-E400 PolarHBondContact O-N 3.45Å; E400-I403 PolarHBondContact O-N 3.34Å; E400-K404 WeakPolarHBondContact O-CG 3.37Å; E400-K404 PolarHBondContact O-N 3.07Å; E400-K404 WeakPolarHBondContact OE1-CE 3.46Å; E400-K404 IonicContact OE1-NZ 2.68Å; E400-K404 PolarHBondContact OE1-NZ 3.33Å
401	L	81.8	Confident	79.2	Confident	71 Å²	71	52.2 Å²	52.2	37%	0.372	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-44.1	174.6	-72.3	172.7	0	0	0	111.5	N397 L398 I403 K404 L405 T443	N397-L401 WeakPolarHBondContact O-CG 3.5Å; N397-L401 PolarHBondContact O-N 2.97Å; L398-L401 HydrophobicContact CD2-CD1 4.49Å; L398-L401 PolarHBondContact O-N 3.49Å; L401-I403 VanDerWaalsContact C-N 3.33Å; L401-I403 PolarHBondContact O-N 3.38Å; L401-K404 PolarHBondContact O-N 2.89Å; L401-L405 WeakPolarHBondContact O-CB 3.24Å; L401-L405 WeakPolarHBondContact O-CG 3.34Å; L401-L405 PolarHBondContact O-N 2.97Å; L401-T443 HydrophobicContact CB-CG2 4.43Å
402	F	82.8	Confident	77.3	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-41.3	174.9	-83	-68.1	0	0	0	112.4	L334 Y354 L357 F361 L398 A399 L405 S406 L440 T443 I444 L447	L334-F402 HydrophobicContact CD2-CE1 4.16Å; Y354-F402 HydrophobicContact CD1-CD1 4.3Å; Y354-F402 AromaticContact CE1-CD1 3.73Å; Y354-F402 HydrophobicContact CE1-CD1 3.73Å; Y354-F402 HydrophobicContact CE1-CE1 4.44Å; L357-F402 HydrophobicContact CD2-CD1 4.28Å; L357-F402 HydrophobicContact CD2-CD2 4.34Å; L357-F402 HydrophobicContact CD2-CE1 4.18Å; L357-F402 HydrophobicContact CD2-CE2 4.31Å; L357-F402 HydrophobicContact CD2-CG 4.35Å; L357-F402 HydrophobicContact CD2-CZ 4.21Å; F361-F402 AromaticContact CE2-CD2 3.68Å; F361-F402 HydrophobicContact CE2-CD2 3.68Å; F361-F402 HydrophobicContact CE2-CE2 4.14Å; F361-F402 HydrophobicContact CE2-CG 4.46Å; F361-F402 AromaticContact CZ-CD2 3.62Å; F361-F402 HydrophobicContact CZ-CD2 3.62Å; F361-F402 AromaticContact CZ-CE2 3.78Å; F361-F402 HydrophobicContact CZ-CE2 3.78Å; L398-F402 WeakPolarHBondContact O-CD2 3.29Å; L398-F402 PolarHBondContact O-N 2.81Å; A399-F402 PolarHBondContact O-N 3.15Å; F402-L405 PolarHBondContact O-N 3.48Å; F402-S406 VanDerWaalsContact O-CB 3.29Å; F402-S406 WeakPolarHBondContact O-CB 3.2Å; F402-S406 PolarHBondContact O-N 3.22Å; F402-S406 PolarHBondContact O-OG 3.45Å; F402-L440 HydrophobicContact CD1-CD1 3.81Å; F402-L440 HydrophobicContact CE1-CD1 3.59Å; F402-T443 HydrophobicContact CD2-CG2 4.19Å; F402-T443 HydrophobicContact CE1-CG2 4.22Å; F402-T443 HydrophobicContact CE2-CG2 3.72Å; F402-T443 HydrophobicContact CZ-CG2 3.76Å; F402-I444 HydrophobicContact CE1-CG1 3.83Å; F402-I444 HydrophobicContact CZ-CG1 3.92Å; F402-L447 HydrophobicContact CE2-CB 4.13Å; F402-L447 HydrophobicContact CE2-CD2 3.77Å; F402-L447 HydrophobicContact CE2-CG 4.47Å; F402-L447 HydrophobicContact CZ-CB 4.39Å; F402-L447 HydrophobicContact CZ-CD2 4.03Å
403	I	79.8	Confident	75.3	Confident	72 Å²	72	51.9 Å²	51.9	37%	0.369	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-44.8	176.1	-68.2	165.5	0	0	0	110.6	A399 E400 L401 S406 K407	A399-I403 WeakPolarHBondContact O-CG1 3.34Å; A399-I403 PolarHBondContact O-N 2.88Å; E400-I403 PolarHBondContact O-N 3.34Å; L401-I403 VanDerWaalsContact C-N 3.33Å; L401-I403 PolarHBondContact O-N 3.38Å; I403-S406 PolarHBondContact O-N 3.32Å; I403-S406 PolarHBondContact O-OG 2.89Å; I403-K407 HydrophobicContact CG2-CD 4.43Å; I403-K407 WeakPolarHBondContact O-CG 3.33Å; I403-K407 PolarHBondContact O-N 3.23Å; I403-K407 VanDerWaalsContact O-N 3.09Å
404	K	79	Confident	73.1	Confident	116 Å²	116	54.2 Å²	54.2	50%	0.504	27%	0.272	S	S	.	.	H	α-helix	trans	-60.8	-47.7	176.9	-73.3	174.3	-177	167	0	111.8	E400 L401 S406 K407 N408	E400-K404 WeakPolarHBondContact O-CG 3.37Å; E400-K404 PolarHBondContact O-N 3.07Å; E400-K404 WeakPolarHBondContact OE1-CE 3.46Å; E400-K404 IonicContact OE1-NZ 2.68Å; E400-K404 PolarHBondContact OE1-NZ 3.33Å; L401-K404 PolarHBondContact O-N 2.89Å; K404-S406 PolarHBondContact O-N 3.47Å; K404-K407 PolarHBondContact O-N 2.95Å; K404-N408 PolarHBondContact O-N 2.94Å
405	L	74.6	Confident	70.8	Confident	12 Å²	12	58.7 Å²	58.7	6%	0.063	29%	0.29	C	S	.	.	H	α-helix	trans	-62.7	-41.6	177.2	-69.4	171.5	0	0	0	111.7	L401 F402 K407 N408 I409 L439 L440	L401-L405 WeakPolarHBondContact O-CB 3.24Å; L401-L405 WeakPolarHBondContact O-CG 3.34Å; L401-L405 PolarHBondContact O-N 2.97Å; F402-L405 PolarHBondContact O-N 3.48Å; L405-K407 VanDerWaalsContact C-N 3.31Å; L405-K407 PolarHBondContact O-N 3.48Å; L405-N408 PolarHBondContact O-N 2.95Å; L405-N408 VanDerWaalsContact O-N 3.17Å; L405-I409 WeakPolarHBondContact O-CB 3.35Å; L405-I409 VanDerWaalsContact O-CG1 3.28Å; L405-I409 WeakPolarHBondContact O-CG1 3.29Å; L405-I409 PolarHBondContact O-N 3.29Å; L405-L439 HydrophobicContact CD2-CD2 3.87Å; L405-L439 HydrophobicContact CD2-CG 4.27Å; L405-L440 HydrophobicContact CD1-CB 4.26Å; L405-L440 HydrophobicContact CD1-CD1 3.88Å
406	S	74.1	Confident	68.7	Low	21 Å²	21	64.8 Å²	64.8	15%	0.147	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-38.7	177.7	76.3	0	0	0	0	112.8	F402 I403 K404 N410	F402-S406 VanDerWaalsContact O-CB 3.29Å; F402-S406 WeakPolarHBondContact O-CB 3.2Å; F402-S406 PolarHBondContact O-N 3.22Å; F402-S406 PolarHBondContact O-OG 3.45Å; I403-S406 PolarHBondContact O-N 3.32Å; I403-S406 PolarHBondContact O-OG 2.89Å; K404-S406 PolarHBondContact O-N 3.47Å; S406-N410 WeakPolarHBondContact O-CB 3.46Å; S406-N410 PolarHBondContact O-N 3.36Å
407	K	73.5	Confident	66.2	Low	146 Å²	146	68.1 Å²	68.1	64%	0.635	34%	0.336	S	S	*	.	H	α-helix	trans	-70.1	-37.7	176	-73	177.8	-179.9	-179.8	0	111.7	I403 K404 L405 G411	I403-K407 HydrophobicContact CG2-CD 4.43Å; I403-K407 WeakPolarHBondContact O-CG 3.33Å; I403-K407 PolarHBondContact O-N 3.23Å; I403-K407 VanDerWaalsContact O-N 3.09Å; K404-K407 PolarHBondContact O-N 2.95Å; L405-K407 VanDerWaalsContact C-N 3.31Å; L405-K407 PolarHBondContact O-N 3.48Å; K407-G411 WeakPolarHBondContact O-CA 3.41Å; K407-G411 PolarHBondContact O-N 2.98Å
408	N	67.5	Low	63.8	Low	64 Å²	64	74 Å²	74	34%	0.342	36%	0.359	S	S	.	.	H	α-helix	trans	-66.2	-48.3	179	-162.7	8.1	0	0	0	111	K404 L405 G411 Q412 N436	K404-N408 PolarHBondContact O-N 2.94Å; L405-N408 PolarHBondContact O-N 2.95Å; L405-N408 VanDerWaalsContact O-N 3.17Å; N408-G411 PolarHBondContact O-N 3.01Å; N408-Q412 WeakPolarHBondContact O-CG 3.32Å; N408-Q412 PolarHBondContact O-N 3.3Å; N408-N436 PolarHBondContact ND2-ND2 3.45Å; N408-N436 PolarHBondContact ND2-OD1 2.88Å
409	I	65.2	Low	61.5	Low	18 Å²	18	81.6 Å²	81.6	9%	0.092	39%	0.394	C	S	.	.	H	α-helix	trans	-56.7	-57.3	175.7	-67.1	172.4	0	0	0	109.2	L405 G411 Q412 Y413 L440	L405-I409 WeakPolarHBondContact O-CB 3.35Å; L405-I409 VanDerWaalsContact O-CG1 3.28Å; L405-I409 WeakPolarHBondContact O-CG1 3.29Å; L405-I409 PolarHBondContact O-N 3.29Å; I409-G411 VanDerWaalsContact C-N 3.35Å; I409-G411 PolarHBondContact O-N 3.49Å; I409-Q412 PolarHBondContact O-N 2.66Å; I409-Y413 HydrophobicContact CG2-CD2 3.91Å; I409-Y413 HydrophobicContact CG2-CE2 3.55Å; I409-Y413 WeakPolarHBondContact O-CD2 3.31Å; I409-Y413 PolarHBondContact O-N 3.23Å; I409-L440 HydrophobicContact CD1-CD2 3.73Å
410	N	61.5	Low	58.9	Low	48 Å²	48	85.6 Å²	85.6	26%	0.257	42%	0.421	S	S	.	.	H	α-helix	trans	-63.9	-34.1	-179.5	-77	-8.2	0	0	0	114.3	S406 Y413 Q414	S406-N410 WeakPolarHBondContact O-CB 3.46Å; S406-N410 PolarHBondContact O-N 3.36Å; N410-Y413 PolarHBondContact O-N 3.04Å; N410-Q414 PolarHBondContact O-N 3.46Å
411	G	55.8	Low	56.4	Low	33 Å²	33	88.4 Å²	88.4	34%	0.34	44%	0.438	S	S	.	.	H	α-helix	trans	-69.3	-37.5	-179.9	0	0	0	0	0	112.8	K407 N408 I409 Y413 K415	K407-G411 WeakPolarHBondContact O-CA 3.41Å; K407-G411 PolarHBondContact O-N 2.98Å; N408-G411 PolarHBondContact O-N 3.01Å; I409-G411 VanDerWaalsContact C-N 3.35Å; I409-G411 PolarHBondContact O-N 3.49Å; G411-Y413 VanDerWaalsContact C-N 3.35Å; G411-K415 PolarHBondContact O-N 3.32Å
412	Q	49.6	Very low	53.8	Low	42 Å²	42	91.9 Å²	91.9	20%	0.196	46%	0.457	C	S	.	.	H	α-helix	trans	-68.7	-36.1	173	-66.9	-71.9	65.7	0	0	110.8	N408 I409 F416	N408-Q412 WeakPolarHBondContact O-CG 3.32Å; N408-Q412 PolarHBondContact O-N 3.3Å; I409-Q412 PolarHBondContact O-N 2.66Å; Q412-F416 VanDerWaalsContact O-CD2 3.22Å; Q412-F416 WeakPolarHBondContact O-CD2 3.36Å
413	Y	46.4	Very low	51	Low	55 Å²	55	95.8 Å²	95.8	22%	0.216	49%	0.49	C	S	.	.	H	α-helix	trans	-71.7	-37.2	175.3	-69.1	-65.6	0	0	0	114	T343 T347 I409 N410 G411 K415 F416	T343-Y413 HydrophobicContact CG2-CE1 4.5Å; T347-Y413 HydrophobicContact CG2-CD1 4.08Å; T347-Y413 HydrophobicContact CG2-CD2 3.05Å; T347-Y413 HydrophobicContact CG2-CE1 4.48Å; T347-Y413 HydrophobicContact CG2-CE2 3.55Å; T347-Y413 HydrophobicContact CG2-CG 3.38Å; I409-Y413 HydrophobicContact CG2-CD2 3.91Å; I409-Y413 HydrophobicContact CG2-CE2 3.55Å; I409-Y413 WeakPolarHBondContact O-CD2 3.31Å; I409-Y413 PolarHBondContact O-N 3.23Å; N410-Y413 PolarHBondContact O-N 3.04Å; G411-Y413 VanDerWaalsContact C-N 3.35Å; Y413-K415 VanDerWaalsContact C-N 3.26Å; Y413-K415 PolarHBondContact O-N 3.32Å; Y413-F416 WeakPolarHBondContact O-CB 3.14Å; Y413-F416 PolarHBondContact O-N 3.5Å
414	Q	43	Very low	48.5	Very low	143 Å²	143	100.6 Å²	100.6	67%	0.668	52%	0.515	S	S	*	.	H	α-helix	trans	-68.1	-23.2	176.6	-79.6	-177.6	3	0	0	113.7	N410 F416 D417	N410-Q414 PolarHBondContact O-N 3.46Å; Q414-F416 PolarHBondContact O-N 3.2Å; Q414-D417 PolarHBondContact O-N 2.87Å
415	K	38.7	Very low	46.1	Very low	139 Å²	139	102.2 Å²	102.2	60%	0.604	52%	0.524	S	S	*	.	H	α-helix	trans	-64.7	-26.4	170.7	-84.2	-179.5	180	170.9	0	112.4	G411 Y413 D417	G411-K415 PolarHBondContact O-N 3.32Å; Y413-K415 VanDerWaalsContact C-N 3.26Å; Y413-K415 PolarHBondContact O-N 3.32Å; K415-D417 VanDerWaalsContact C-N 3.33Å; K415-D417 PolarHBondContact O-N 3.31Å
416	F	41.1	Very low	44.1	Very low	129 Å²	129	108.1 Å²	108.1	57%	0.566	56%	0.555	S	S	*	*	H	α-helix	trans	-67.6	-31.3	176.8	-76.1	-85.9	0	0	0	112.9	Q412 Y413 Q414 K418	Q412-F416 VanDerWaalsContact O-CD2 3.22Å; Q412-F416 WeakPolarHBondContact O-CD2 3.36Å; Y413-F416 WeakPolarHBondContact O-CB 3.14Å; Y413-F416 PolarHBondContact O-N 3.5Å; Q414-F416 PolarHBondContact O-N 3.2Å; F416-K418 PolarHBondContact O-N 3.23Å
417	D	35.3	Very low	42	Very low	137 Å²	137	112.4 Å²	112.4	73%	0.733	58%	0.576	S	S	*	*	H	α-helix	trans	-79	-15.6	-178.1	-95.6	-6.2	0	0	0	114.4	Q414 K415	Q414-D417 PolarHBondContact O-N 2.87Å; K415-D417 VanDerWaalsContact C-N 3.33Å; K415-D417 PolarHBondContact O-N 3.31Å
418	K	36.2	Very low	40.5	Very low	186 Å²	186	111.4 Å²	111.4	81%	0.809	58%	0.578	S	S	*	*	H	α-helix	trans	-103.6	-2.8	-175.7	-74.8	-169.9	178.4	-179.9	0	115.7	F416	F416-K418 PolarHBondContact O-N 3.23Å
419	Q	37.2	Very low	39.5	Very low	162 Å²	162	111.9 Å²	111.9	76%	0.757	58%	0.58	S	S	*	*			trans	-112.8	70.5	177.7	-68.9	-172.9	-0.9	0	0	111.7	I421	Q419-I421 PolarHBondContact O-N 2.93Å; Q419-I421 VanDerWaalsContact O-N 3.17Å
420	S	31.3	Very low	38.8	Very low	99 Å²	99	117.2 Å²	117.2	69%	0.692	61%	0.609	S	S	*	*			trans	-54.5	112.1	150.6	45.6	0	0	0	0	110.8
421	I	30.6	Very low	38.4	Very low	157 Å²	157	120.7 Å²	120.7	81%	0.805	63%	0.628	S	S	*	*	S	Bend	trans	90.2	-9.5	135.6	-63	172.7	0	0	0	120.4	Q419	Q419-I421 PolarHBondContact O-N 2.93Å; Q419-I421 VanDerWaalsContact O-N 3.17Å
422	N	26.2	Very low	38.8	Very low	144 Å²	144	121 Å²	121	77%	0.77	63%	0.625	S	S	*	*			trans	-119	115.6	-179	-72.4	-20.9	0	0	0	115.2
423	A	24.8	Very low	39.5	Very low	88 Å²	88	121.2 Å²	121.2	73%	0.727	63%	0.627	S	S	*	*			trans	62.8	96.5	157.1	0	0	0	0	0	116.6	H425	A423-H425 PolarHBondContact O-N 2.84Å
424	I	27.2	Very low	40.6	Very low	173 Å²	173	123.4 Å²	123.4	89%	0.887	64%	0.639	S	S	*	*				42.1	70	87.3	-46.9	175.5	0	0	0	112.4
425	H	28.2	Very low	42	Very low	150 Å²	150	123.1 Å²	123.1	69%	0.694	64%	0.638	S	S	*	*			trans	-170.7	48.4	147	-134.7	-79.1	0	0	0	113.1	A423 N427	A423-H425 PolarHBondContact O-N 2.84Å; H425-N427 VanDerWaalsContact C-N 3.3Å; H425-N427 PolarHBondContact CE1-ND2 2.93Å; H425-N427 PolarHBondContact ND1-ND2 2.81Å; H425-N427 PolarHBondContact O-N 3.14Å
426	L	32.7	Very low	43.6	Very low	136 Å²	136	117.6 Å²	117.6	71%	0.712	61%	0.614	S	S	*	*			trans	-82.2	78.3	173.4	-71.6	168	0	0	0	109.8
427	N	31.1	Very low	45.2	Very low	111 Å²	111	113.7 Å²	113.7	59%	0.594	60%	0.597	S	S	*	*			trans	-84.9	118.9	167.6	-78.5	-10.5	0	0	0	108.9	H425	H425-N427 VanDerWaalsContact C-N 3.3Å; H425-N427 PolarHBondContact CE1-ND2 2.93Å; H425-N427 PolarHBondContact ND1-ND2 2.81Å; H425-N427 PolarHBondContact O-N 3.14Å
428	N	41	Very low	47.2	Very low	125 Å²	125	109.7 Å²	109.7	67%	0.668	58%	0.578	S	S	*	*	S	Bend	trans	81.4	17.4	156.3	-52.8	-20	0	0	0	120.1	D430	N428-D430 VanDerWaalsContact C-N 3.27Å; N428-D430 PolarHBondContact O-N 2.72Å
429	D	47.4	Very low	49.3	Very low	75 Å²	75	104.6 Å²	104.6	40%	0.401	56%	0.559	S	S	.	*	H	α-helix	trans	-71.2	-19.8	171	-82.1	-33.2	0	0	0	113.5	N431 S432 I433	D429-N431 VanDerWaalsContact C-N 3.28Å; D429-N431 PolarHBondContact O-N 3.3Å; D429-S432 WeakPolarHBondContact O-CB 3.43Å; D429-S432 PolarHBondContact O-N 3.33Å; D429-S432 VanDerWaalsContact O-N 3.1Å; D429-I433 WeakPolarHBondContact O-CG1 3.2Å; D429-I433 PolarHBondContact O-N 3.05Å
430	D	48.9	Very low	51.4	Low	130 Å²	130	96.9 Å²	96.9	70%	0.695	52%	0.523	S	S	*	.	H	α-helix	trans	-59.1	-38.5	178.4	-71.3	-27	0	0	0	112.3	N428 S432 I433 E434	N428-D430 VanDerWaalsContact C-N 3.27Å; N428-D430 PolarHBondContact O-N 2.72Å; D430-S432 VanDerWaalsContact C-N 3.34Å; D430-S432 PolarHBondContact O-N 2.73Å; D430-I433 PolarHBondContact O-N 3.14Å; D430-E434 WeakPolarHBondContact O-CB 3.44Å; D430-E434 PolarHBondContact O-N 3.07Å
431	N	54.3	Low	53.9	Low	121 Å²	121	94.4 Å²	94.4	65%	0.647	50%	0.5	S	S	*	.	H	α-helix	trans	-65.1	-38.4	177.1	-75.3	-15.3	0	0	0	111.8	D429 E434 E435	D429-N431 VanDerWaalsContact C-N 3.28Å; D429-N431 PolarHBondContact O-N 3.3Å; N431-E434 PolarHBondContact O-N 3.3Å; N431-E435 VanDerWaalsContact O-CB 3.24Å; N431-E435 WeakPolarHBondContact O-CB 3.02Å; N431-E435 PolarHBondContact O-N 2.97Å
432	S	63.3	Low	56.4	Low	40 Å²	40	92.6 Å²	92.6	28%	0.28	49%	0.489	S	S	.	.	H	α-helix	trans	-68.3	-39.5	177.8	177.9	0	0	0	0	111.2	D429 D430 N436	D429-S432 WeakPolarHBondContact O-CB 3.43Å; D429-S432 PolarHBondContact O-N 3.33Å; D429-S432 VanDerWaalsContact O-N 3.1Å; D430-S432 VanDerWaalsContact C-N 3.34Å; D430-S432 PolarHBondContact O-N 2.73Å; S432-N436 WeakPolarHBondContact O-CB 3.4Å; S432-N436 VanDerWaalsContact O-CG 3.32Å; S432-N436 PolarHBondContact O-N 2.98Å; S432-N436 PolarHBondContact O-ND2 2.99Å
433	I	64.2	Low	59.3	Low	45 Å²	45	86 Å²	86	23%	0.231	45%	0.453	C	S	.	.	H	α-helix	trans	-64.6	-46.3	176.4	-65.2	169.1	0	0	0	110.2	D429 D430 N436 K437	D429-I433 WeakPolarHBondContact O-CG1 3.2Å; D429-I433 PolarHBondContact O-N 3.05Å; D430-I433 PolarHBondContact O-N 3.14Å; I433-N436 PolarHBondContact O-N 3.29Å; I433-K437 WeakPolarHBondContact O-CG 3.2Å; I433-K437 PolarHBondContact O-N 3.37Å
434	E	69.9	Low	62.2	Low	102 Å²	102	82 Å²	82	48%	0.477	42%	0.42	S	S	.	.	H	α-helix	trans	-67.3	-37.6	179.9	-160.9	63.8	-165.8	0	0	112	D430 N431 N436 K437 T438	D430-E434 WeakPolarHBondContact O-CB 3.44Å; D430-E434 PolarHBondContact O-N 3.07Å; N431-E434 PolarHBondContact O-N 3.3Å; E434-N436 PolarHBondContact O-N 2.91Å; E434-K437 PolarHBondContact O-N 3.42Å; E434-K437 IonicContact OE2-NZ 3.8Å; E434-T438 WeakPolarHBondContact O-CG2 3.39Å; E434-T438 PolarHBondContact O-N 3.35Å; E434-T438 PolarHBondContact O-OG1 3.1Å
435	E	72.8	Confident	65	Low	137 Å²	137	79.2 Å²	79.2	64%	0.64	40%	0.403	S	S	*	.	H	α-helix	trans	-62.8	-40.7	171.8	-170.7	176.2	-173.9	0	0	111.6	N431 T438 L439	N431-E435 VanDerWaalsContact O-CB 3.24Å; N431-E435 WeakPolarHBondContact O-CB 3.02Å; N431-E435 PolarHBondContact O-N 2.97Å; E435-T438 WeakPolarHBondContact CA-OG1 3.4Å; E435-T438 PolarHBondContact O-OG1 3.46Å; E435-L439 WeakPolarHBondContact O-CB 3.46Å; E435-L439 PolarHBondContact O-N 2.86Å
436	N	71.3	Confident	67.9	Low	22 Å²	22	75.6 Å²	75.6	12%	0.118	39%	0.386	C	S	.	.	H	α-helix	trans	-67.6	-37.6	175	-76.4	-60.9	0	0	0	112.5	N408 S432 I433 E434 L440	N408-N436 PolarHBondContact ND2-ND2 3.45Å; N408-N436 PolarHBondContact ND2-OD1 2.88Å; S432-N436 WeakPolarHBondContact O-CB 3.4Å; S432-N436 VanDerWaalsContact O-CG 3.32Å; S432-N436 PolarHBondContact O-N 2.98Å; S432-N436 PolarHBondContact O-ND2 2.99Å; I433-N436 PolarHBondContact O-N 3.29Å; E434-N436 PolarHBondContact O-N 2.91Å; N436-L440 VanDerWaalsContact O-CB 3.23Å; N436-L440 WeakPolarHBondContact O-CB 3.33Å; N436-L440 PolarHBondContact O-N 2.81Å
437	K	74.9	Confident	70.6	Confident	47 Å²	47	69.1 Å²	69.1	20%	0.204	35%	0.353	C	S	.	.	H	α-helix	trans	-63.5	-49.9	174.7	-75.1	-179.2	-176.9	177.2	0	111	I433 E434 L439 L440 E441	I433-K437 WeakPolarHBondContact O-CG 3.2Å; I433-K437 PolarHBondContact O-N 3.37Å; E434-K437 PolarHBondContact O-N 3.42Å; E434-K437 IonicContact OE2-NZ 3.8Å; K437-L439 PolarHBondContact O-N 2.92Å; K437-L440 WeakPolarHBondContact O-CB 3.48Å; K437-L440 PolarHBondContact O-N 2.86Å; K437-E441 WeakPolarHBondContact O-CG 3.19Å; K437-E441 PolarHBondContact O-N 3.49Å
438	T	77.8	Confident	73.4	Confident	54 Å²	54	66.2 Å²	66.2	33%	0.331	34%	0.337	S	S	.	.	H	α-helix	trans	-63.4	-41	178.9	52.9	0	0	0	0	112	E434 E435 L440 E441 Q442	E434-T438 WeakPolarHBondContact O-CG2 3.39Å; E434-T438 PolarHBondContact O-N 3.35Å; E434-T438 PolarHBondContact O-OG1 3.1Å; E435-T438 WeakPolarHBondContact CA-OG1 3.4Å; E435-T438 PolarHBondContact O-OG1 3.46Å; T438-L440 VanDerWaalsContact C-N 3.33Å; T438-L440 PolarHBondContact O-N 2.88Å; T438-E441 PolarHBondContact O-N 3.45Å; T438-Q442 VanDerWaalsContact O-CG 3.32Å; T438-Q442 WeakPolarHBondContact O-CG 3.47Å; T438-Q442 PolarHBondContact O-N 3.29Å
439	L	80	Confident	75.8	Confident	78 Å²	78	63.9 Å²	63.9	41%	0.408	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-40	174.2	-179.5	59.9	0	0	0	111.9	L405 E435 K437 Q442 T443	L405-L439 HydrophobicContact CD2-CD2 3.87Å; L405-L439 HydrophobicContact CD2-CG 4.27Å; E435-L439 WeakPolarHBondContact O-CB 3.46Å; E435-L439 PolarHBondContact O-N 2.86Å; K437-L439 PolarHBondContact O-N 2.92Å; L439-Q442 PolarHBondContact O-N 3.33Å; L439-T443 WeakPolarHBondContact O-CB 3.46Å; L439-T443 PolarHBondContact O-N 3.41Å; L439-T443 PolarHBondContact O-OG1 3.04Å
440	L	82	Confident	77.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66.9	-42.1	176.4	179.9	59	0	0	0	111.9	L334 L338 Y354 F402 L405 I409 N436 K437 T438 Q442 T443 I444	L334-L440 HydrophobicContact CD2-CD1 4.38Å; L338-L440 HydrophobicContact CD1-CB 4.42Å; L338-L440 HydrophobicContact CD1-CD2 3.3Å; L338-L440 HydrophobicContact CD1-CG 3.73Å; L338-L440 HydrophobicContact CD2-CD2 3.54Å; L338-L440 HydrophobicContact CG-CD2 3.98Å; Y354-L440 HydrophobicContact CE1-CD1 4.42Å; Y354-L440 WeakPolarHBondContact OH-CD1 3.41Å; Y354-L440 WeakPolarHBondContact OH-CD2 3.41Å; F402-L440 HydrophobicContact CD1-CD1 3.81Å; F402-L440 HydrophobicContact CE1-CD1 3.59Å; L405-L440 HydrophobicContact CD1-CB 4.26Å; L405-L440 HydrophobicContact CD1-CD1 3.88Å; I409-L440 HydrophobicContact CD1-CD2 3.73Å; N436-L440 VanDerWaalsContact O-CB 3.23Å; N436-L440 WeakPolarHBondContact O-CB 3.33Å; N436-L440 PolarHBondContact O-N 2.81Å; K437-L440 WeakPolarHBondContact O-CB 3.48Å; K437-L440 PolarHBondContact O-N 2.86Å; T438-L440 VanDerWaalsContact C-N 3.33Å; T438-L440 PolarHBondContact O-N 2.88Å; L440-Q442 PolarHBondContact O-N 3.32Å; L440-T443 PolarHBondContact O-N 3.2Å; L440-I444 HydrophobicContact CD1-CD1 4.35Å; L440-I444 HydrophobicContact CD1-CG1 4.38Å; L440-I444 HydrophobicContact CG-CD1 4.11Å; L440-I444 VanDerWaalsContact O-CG1 3.25Å; L440-I444 WeakPolarHBondContact O-CG1 3.5Å; L440-I444 PolarHBondContact O-N 3.15Å
441	E	83.7	Confident	79.7	Confident	47 Å²	47	55 Å²	55	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-46.1	173.4	-75.4	175.2	-163.7	0	0	112	H339 K437 T438 T443 I444 Q445	H339-E441 IonicContact CE1-OE1 2.93Å; H339-E441 PolarHBondContact CE1-OE1 2.88Å; H339-E441 IonicContact ND1-OE1 3.77Å; H339-E441 IonicContact NE2-OE1 3.46Å; H339-E441 PolarHBondContact NE2-OE1 2.87Å; K437-E441 WeakPolarHBondContact O-CG 3.19Å; K437-E441 PolarHBondContact O-N 3.49Å; T438-E441 PolarHBondContact O-N 3.45Å; E441-T443 VanDerWaalsContact C-N 3.31Å; E441-T443 PolarHBondContact O-N 3.15Å; E441-I444 PolarHBondContact O-N 2.87Å; E441-Q445 WeakPolarHBondContact O-CG 3.29Å; E441-Q445 PolarHBondContact O-N 2.95Å
442	Q	83.7	Confident	81.4	Confident	119 Å²	119	52.2 Å²	52.2	56%	0.556	26%	0.264	S	S	*	.	H	α-helix	trans	-60.2	-42.2	174.8	-71.5	174.9	7.3	0	0	111.4	T438 L439 L440 I444 Q445 Q446	T438-Q442 VanDerWaalsContact O-CG 3.32Å; T438-Q442 WeakPolarHBondContact O-CG 3.47Å; T438-Q442 PolarHBondContact O-N 3.29Å; L439-Q442 PolarHBondContact O-N 3.33Å; L440-Q442 PolarHBondContact O-N 3.32Å; Q442-I444 PolarHBondContact O-N 3.03Å; Q442-Q445 PolarHBondContact O-N 3.47Å; Q442-Q446 WeakPolarHBondContact O-CB 3.42Å; Q442-Q446 PolarHBondContact O-N 3.1Å
443	T	85.6	Confident	82.6	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-38.8	178.1	-54.1	0	0	0	0	111.6	L398 L401 F402 L439 L440 E441 Q446 L447	L398-T443 HydrophobicContact CD2-CG2 3.88Å; L401-T443 HydrophobicContact CB-CG2 4.43Å; F402-T443 HydrophobicContact CD2-CG2 4.19Å; F402-T443 HydrophobicContact CE1-CG2 4.22Å; F402-T443 HydrophobicContact CE2-CG2 3.72Å; F402-T443 HydrophobicContact CZ-CG2 3.76Å; L439-T443 WeakPolarHBondContact O-CB 3.46Å; L439-T443 PolarHBondContact O-N 3.41Å; L439-T443 PolarHBondContact O-OG1 3.04Å; L440-T443 PolarHBondContact O-N 3.2Å; E441-T443 VanDerWaalsContact C-N 3.31Å; E441-T443 PolarHBondContact O-N 3.15Å; T443-Q446 PolarHBondContact O-N 3.39Å; T443-L447 WeakPolarHBondContact O-CB 3.33Å; T443-L447 PolarHBondContact O-N 3.42Å
444	I	86.8	Confident	83.8	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-44.8	174.4	-68.5	164.9	0	0	0	110.9	C331 L334 M335 L338 F402 L440 E441 Q442 Q446 L447 L448	C331-I444 HydrophobicContact CB-CG2 3.71Å; L334-I444 HydrophobicContact CB-CD1 4.31Å; L334-I444 HydrophobicContact CD2-CD1 3.63Å; L334-I444 HydrophobicContact CD2-CG1 4.04Å; L334-I444 HydrophobicContact CG-CD1 3.94Å; M335-I444 HydrophobicContact CE-CB 4.49Å; M335-I444 HydrophobicContact CE-CG2 3.82Å; L338-I444 HydrophobicContact CD1-CD1 4.25Å; F402-I444 HydrophobicContact CE1-CG1 3.83Å; F402-I444 HydrophobicContact CZ-CG1 3.92Å; L440-I444 HydrophobicContact CD1-CD1 4.35Å; L440-I444 HydrophobicContact CD1-CG1 4.38Å; L440-I444 HydrophobicContact CG-CD1 4.11Å; L440-I444 VanDerWaalsContact O-CG1 3.25Å; L440-I444 WeakPolarHBondContact O-CG1 3.5Å; L440-I444 PolarHBondContact O-N 3.15Å; E441-I444 PolarHBondContact O-N 2.87Å; Q442-I444 PolarHBondContact O-N 3.03Å; I444-Q446 VanDerWaalsContact C-N 3.32Å; I444-Q446 PolarHBondContact O-N 3.01Å; I444-L447 WeakPolarHBondContact O-CB 3.46Å; I444-L447 PolarHBondContact O-N 3.13Å; I444-L448 PolarHBondContact O-N 3.4Å
445	Q	86	Confident	84.9	Confident	116 Å²	116	47.6 Å²	47.6	54%	0.542	24%	0.238	S	C	.	.	H	α-helix	trans	-63.7	-40	176.7	-71.4	179.4	-5.4	0	0	111.7	E441 Q442 L448 T449	E441-Q445 WeakPolarHBondContact O-CG 3.29Å; E441-Q445 PolarHBondContact O-N 2.95Å; Q442-Q445 PolarHBondContact O-N 3.47Å; Q445-L448 PolarHBondContact O-N 2.8Å; Q445-T449 WeakPolarHBondContact O-CB 3.34Å; Q445-T449 PolarHBondContact O-N 2.72Å; Q445-T449 PolarHBondContact O-OG1 3.32Å
446	Q	88.3	Confident	85.6	Confident	73 Å²	73	44.6 Å²	44.6	34%	0.341	23%	0.229	S	C	.	.	H	α-helix	trans	-62.9	-44.8	175.2	-172.3	176.3	-0.3	0	0	111.2	L398 Q442 T443 I444 L448 T449 E450	L398-Q446 HydrophobicContact CD2-CB 4.34Å; L398-Q446 HydrophobicContact CD2-CG 4.1Å; Q442-Q446 WeakPolarHBondContact O-CB 3.42Å; Q442-Q446 PolarHBondContact O-N 3.1Å; T443-Q446 PolarHBondContact O-N 3.39Å; I444-Q446 VanDerWaalsContact C-N 3.32Å; I444-Q446 PolarHBondContact O-N 3.01Å; Q446-L448 PolarHBondContact O-N 3.46Å; Q446-T449 WeakPolarHBondContact O-CB 3.39Å; Q446-T449 PolarHBondContact O-N 3.26Å; Q446-E450 WeakPolarHBondContact O-CG 3.45Å; Q446-E450 PolarHBondContact O-N 2.8Å
447	L	89.3	Confident	86.4	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-56.6	-50.9	174.5	174.8	61.8	0	0	0	111.8	I327 L357 F361 M395 L398 F402 T443 I444 T449 E450 V451	I327-L447 HydrophobicContact CG2-CD2 4.38Å; L357-L447 HydrophobicContact CD1-CD2 4.14Å; L357-L447 HydrophobicContact CD2-CD2 4.13Å; F361-L447 HydrophobicContact CD1-CD1 4.45Å; F361-L447 HydrophobicContact CE1-CD1 3.36Å; F361-L447 HydrophobicContact CE1-CD2 4.41Å; F361-L447 HydrophobicContact CE1-CG 4.5Å; F361-L447 HydrophobicContact CE2-CD2 4.21Å; F361-L447 HydrophobicContact CZ-CD1 3.45Å; F361-L447 VanDerWaalsContact CZ-CD1 3.45Å; F361-L447 HydrophobicContact CZ-CD2 3.67Å; F361-L447 HydrophobicContact CZ-CG 4.15Å; M395-L447 HydrophobicContact SD-CD1 3.84Å; L398-L447 HydrophobicContact CD1-CB 4.23Å; L398-L447 HydrophobicContact CD1-CD1 4.11Å; F402-L447 HydrophobicContact CE2-CB 4.13Å; F402-L447 HydrophobicContact CE2-CD2 3.77Å; F402-L447 HydrophobicContact CE2-CG 4.47Å; F402-L447 HydrophobicContact CZ-CB 4.39Å; F402-L447 HydrophobicContact CZ-CD2 4.03Å; T443-L447 WeakPolarHBondContact O-CB 3.33Å; T443-L447 PolarHBondContact O-N 3.42Å; I444-L447 WeakPolarHBondContact O-CB 3.46Å; I444-L447 PolarHBondContact O-N 3.13Å; L447-T449 PolarHBondContact O-N 2.79Å; L447-E450 PolarHBondContact O-N 2.83Å; L447-V451 HydrophobicContact CD1-CG2 3.99Å; L447-V451 HydrophobicContact CG-CG2 4.41Å; L447-V451 WeakPolarHBondContact O-CB 3.34Å; L447-V451 VanDerWaalsContact O-CG2 3.27Å; L447-V451 WeakPolarHBondContact O-CG2 3.29Å; L447-V451 PolarHBondContact O-N 2.82Å
448	L	90.8	Very high	87	Confident	49 Å²	49	42 Å²	42	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-61.7	-37.4	-179.5	-176.8	58.8	0	0	0	111.5	I444 Q445 Q446 N452	I444-L448 PolarHBondContact O-N 3.4Å; Q445-L448 PolarHBondContact O-N 2.8Å; Q446-L448 PolarHBondContact O-N 3.46Å; L448-N452 WeakPolarHBondContact O-CB 3.39Å; L448-N452 PolarHBondContact O-N 3.39Å; L448-N452 VanDerWaalsContact O-N 3.08Å; L448-N452 PolarHBondContact O-ND2 3.32Å; L448-N452 VanDerWaalsContact O-ND2 3.07Å
449	T	89.8	Confident	87.4	Confident	77 Å²	77	42.4 Å²	42.4	47%	0.472	22%	0.217	S	C	.	.	H	α-helix	trans	-64.3	-48.5	176	-57.2	0	0	0	0	111.4	Q445 Q446 L447 V451 N452 L453	Q445-T449 WeakPolarHBondContact O-CB 3.34Å; Q445-T449 PolarHBondContact O-N 2.72Å; Q445-T449 PolarHBondContact O-OG1 3.32Å; Q446-T449 WeakPolarHBondContact O-CB 3.39Å; Q446-T449 PolarHBondContact O-N 3.26Å; L447-T449 PolarHBondContact O-N 2.79Å; T449-V451 PolarHBondContact O-N 3.06Å; T449-N452 PolarHBondContact O-N 2.81Å; T449-L453 HydrophobicContact CG2-CD1 4.01Å; T449-L453 HydrophobicContact CG2-CG 4.47Å; T449-L453 WeakPolarHBondContact O-CB 3.46Å; T449-L453 WeakPolarHBondContact O-CG 3.48Å; T449-L453 PolarHBondContact O-N 3.01Å
450	E	88.1	Confident	87.7	Confident	17 Å²	17	42.5 Å²	42.5	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-40.1	178.1	-73.2	-65.3	138.4	0	0	112.1	N394 M395 L398 Q446 L447 N452 L453 F454	N394-E450 HydrophobicContact CB-CG 4.48Å; N394-E450 PolarHBondContact ND2-OE2 2.78Å; M395-E450 VanDerWaalsContact CE-C 3.48Å; M395-E450 HydrophobicContact CE-CB 3.6Å; M395-E450 HydrophobicContact SD-CB 4.4Å; L398-E450 HydrophobicContact CD1-CB 4.38Å; L398-E450 HydrophobicContact CD1-CG 4.13Å; Q446-E450 WeakPolarHBondContact O-CG 3.45Å; Q446-E450 PolarHBondContact O-N 2.8Å; L447-E450 PolarHBondContact O-N 2.83Å; E450-N452 VanDerWaalsContact C-N 3.32Å; E450-N452 PolarHBondContact O-N 3.28Å; E450-L453 PolarHBondContact O-N 3.46Å; E450-F454 WeakPolarHBondContact O-CB 3.27Å; E450-F454 PolarHBondContact O-N 3.15Å
451	V	90.8	Very high	87.8	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-42.4	176.9	169.1	0	0	0	0	110.4	W320 Q324 I327 I364 M395 L447 T449 Y455	W320-V451 HydrophobicContact CH2-CG1 3.93Å; W320-V451 HydrophobicContact CZ2-CG1 3.57Å; Q324-V451 HydrophobicContact CG-CG1 4.1Å; I327-V451 HydrophobicContact CD1-CG2 4.46Å; I327-V451 HydrophobicContact CG2-CG2 4.47Å; I364-V451 HydrophobicContact CD1-CG2 4.2Å; M395-V451 HydrophobicContact CE-CB 4.29Å; M395-V451 HydrophobicContact CE-CG2 3.61Å; M395-V451 HydrophobicContact SD-CG2 4.29Å; L447-V451 HydrophobicContact CD1-CG2 3.99Å; L447-V451 HydrophobicContact CG-CG2 4.41Å; L447-V451 WeakPolarHBondContact O-CB 3.34Å; L447-V451 VanDerWaalsContact O-CG2 3.27Å; L447-V451 WeakPolarHBondContact O-CG2 3.29Å; L447-V451 PolarHBondContact O-N 2.82Å; T449-V451 PolarHBondContact O-N 3.06Å; V451-Y455 PolarHBondContact O-N 3.26Å; V451-Y455 VanDerWaalsContact O-N 3.11Å
452	N	89.3	Confident	87.8	Confident	63 Å²	63	43 Å²	43	34%	0.337	24%	0.235	S	C	.	.	H	α-helix	trans	-68.9	-39.2	176.6	-71.5	-30.3	0	0	0	112.2	Q324 L448 T449 E450 Y455 T456	Q324-N452 PolarHBondContact NE2-OD1 3.45Å; L448-N452 WeakPolarHBondContact O-CB 3.39Å; L448-N452 PolarHBondContact O-N 3.39Å; L448-N452 VanDerWaalsContact O-N 3.08Å; L448-N452 PolarHBondContact O-ND2 3.32Å; L448-N452 VanDerWaalsContact O-ND2 3.07Å; T449-N452 PolarHBondContact O-N 2.81Å; E450-N452 VanDerWaalsContact C-N 3.32Å; E450-N452 PolarHBondContact O-N 3.28Å; N452-Y455 PolarHBondContact O-N 2.85Å; N452-T456 WeakPolarHBondContact O-CB 3.43Å; N452-T456 VanDerWaalsContact O-CG2 3.3Å; N452-T456 WeakPolarHBondContact O-CG2 3.35Å; N452-T456 PolarHBondContact O-N 2.98Å; N452-T456 PolarHBondContact O-OG1 3.31Å
453	L	88.5	Confident	87.5	Confident	52 Å²	52	45 Å²	45	27%	0.272	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-41.6	175.7	-75.9	169.8	0	0	0	112	Y391 T449 E450 T456 T457	Y391-L453 HydrophobicContact CE1-CB 3.84Å; T449-L453 HydrophobicContact CG2-CD1 4.01Å; T449-L453 HydrophobicContact CG2-CG 4.47Å; T449-L453 WeakPolarHBondContact O-CB 3.46Å; T449-L453 WeakPolarHBondContact O-CG 3.48Å; T449-L453 PolarHBondContact O-N 3.01Å; E450-L453 PolarHBondContact O-N 3.46Å; L453-T456 WeakPolarHBondContact CA-OG1 3.41Å; L453-T456 PolarHBondContact O-OG1 3.01Å; L453-T456 VanDerWaalsContact O-OG1 3.09Å; L453-T457 VanDerWaalsContact O-CB 3.3Å; L453-T457 WeakPolarHBondContact O-CB 3.31Å; L453-T457 PolarHBondContact O-N 3.12Å; L453-T457 PolarHBondContact O-OG1 3.26Å
454	F	90.6	Very high	87.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-52.1	173.4	176.3	-106.2	0	0	0	110.8	F316 W320 L367 C368 M371 F388 Y391 E450 T456 T457 I458	F316-F454 HydrophobicContact CZ-CE1 4.42Å; W320-F454 HydrophobicContact CE3-CE1 4.26Å; W320-F454 AromaticContact CH2-CD1 3.56Å; W320-F454 HydrophobicContact CH2-CD1 3.56Å; W320-F454 AromaticContact CH2-CE1 3.91Å; W320-F454 HydrophobicContact CH2-CE1 3.91Å; W320-F454 AromaticContact CZ2-CD1 3.96Å; W320-F454 HydrophobicContact CZ2-CD1 3.96Å; W320-F454 AromaticContact CZ3-CD1 3.93Å; W320-F454 HydrophobicContact CZ3-CD1 3.93Å; W320-F454 AromaticContact CZ3-CE1 3.76Å; W320-F454 HydrophobicContact CZ3-CE1 3.76Å; L367-F454 HydrophobicContact CB-CZ 4.35Å; C368-F454 HydrophobicContact CB-CE2 4.39Å; C368-F454 WeakPolarHBondContact SG-CE2 3.44Å; M371-F454 HydrophobicContact CG-CE2 4.27Å; M371-F454 HydrophobicContact CG-CZ 3.95Å; F388-F454 HydrophobicContact CD1-CD2 4.09Å; F388-F454 AromaticContact CD1-CE2 3.77Å; F388-F454 HydrophobicContact CD1-CE2 3.77Å; F388-F454 HydrophobicContact CE1-CD2 4.19Å; F388-F454 AromaticContact CE1-CE2 3.95Å; F388-F454 HydrophobicContact CE1-CE2 3.95Å; Y391-F454 HydrophobicContact CD2-CD2 4.11Å; Y391-F454 HydrophobicContact CG-CB 4.49Å; Y391-F454 HydrophobicContact CG-CD2 4.23Å; E450-F454 WeakPolarHBondContact O-CB 3.27Å; E450-F454 PolarHBondContact O-N 3.15Å; F454-T456 PolarHBondContact O-N 3.46Å; F454-T457 PolarHBondContact O-N 3.09Å; F454-I458 HydrophobicContact CD1-CD1 3.93Å; F454-I458 HydrophobicContact CD2-CD1 4.3Å; F454-I458 HydrophobicContact CE1-CD1 3.48Å; F454-I458 VanDerWaalsContact CE1-CD1 3.48Å; F454-I458 HydrophobicContact CE2-CD1 3.87Å; F454-I458 HydrophobicContact CG-CD1 4.34Å; F454-I458 HydrophobicContact CZ-CD1 3.46Å; F454-I458 VanDerWaalsContact CZ-CD1 3.46Å; F454-I458 WeakPolarHBondContact O-CG1 3.28Å; F454-I458 PolarHBondContact O-N 2.96Å; F454-I458 VanDerWaalsContact O-N 3.15Å
455	Y	91.9	Very high	86.7	Confident	39 Å²	39	47.3 Å²	47.3	15%	0.153	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-47.5	-179.5	-178.9	-127.4	0	0	0	113.1	F316 T317 W320 V451 N452 T457 I458 L459	F316-Y455 AromaticContact CE1-CD2 3.98Å; F316-Y455 HydrophobicContact CE1-CD2 3.98Å; F316-Y455 HydrophobicContact CE1-CE2 4.14Å; T317-Y455 HydrophobicContact CG2-CE2 4.12Å; W320-Y455 AromaticContact CD1-CD2 3.1Å; W320-Y455 AromaticContact CD1-CE2 3.33Å; W320-Y455 AromaticContact CD1-CG 3.69Å; W320-Y455 HydrophobicContact CD2-CD2 4.46Å; W320-Y455 AromaticContact CG-CD2 3.91Å; W320-Y455 HydrophobicContact CG-CD2 3.91Å; W320-Y455 HydrophobicContact CG-CE2 4.17Å; W320-Y455 AromaticContact NE1-CD2 3.19Å; W320-Y455 AromaticContact NE1-CE2 3.86Å; W320-Y455 AromaticContact NE1-CG 3.28Å; W320-Y455 VanDerWaalsContact NE1-CG 3.28Å; V451-Y455 PolarHBondContact O-N 3.26Å; V451-Y455 VanDerWaalsContact O-N 3.11Å; N452-Y455 PolarHBondContact O-N 2.85Å; Y455-T457 VanDerWaalsContact C-N 3.31Å; Y455-T457 PolarHBondContact O-N 2.9Å; Y455-I458 PolarHBondContact O-N 3.48Å; Y455-L459 HydrophobicContact CD1-CD1 4.16Å; Y455-L459 HydrophobicContact CD2-CG 4.37Å; Y455-L459 HydrophobicContact CE1-CD1 3.61Å; Y455-L459 HydrophobicContact CE1-CG 4.38Å; Y455-L459 HydrophobicContact CE2-CD1 4.07Å; Y455-L459 HydrophobicContact CE2-CD2 4.1Å; Y455-L459 HydrophobicContact CE2-CG 3.99Å; Y455-L459 PolarHBondContact O-N 2.99Å
456	T	88.1	Confident	86.3	Confident	74 Å²	74	42.6 Å²	42.6	45%	0.454	23%	0.232	S	C	.	.	H	α-helix	trans	-64.2	-36.1	179.6	51.4	0	0	0	0	112.1	N452 L453 F454 I458 L459 A460	N452-T456 WeakPolarHBondContact O-CB 3.43Å; N452-T456 VanDerWaalsContact O-CG2 3.3Å; N452-T456 WeakPolarHBondContact O-CG2 3.35Å; N452-T456 PolarHBondContact O-N 2.98Å; N452-T456 PolarHBondContact O-OG1 3.31Å; L453-T456 WeakPolarHBondContact CA-OG1 3.41Å; L453-T456 PolarHBondContact O-OG1 3.01Å; L453-T456 VanDerWaalsContact O-OG1 3.09Å; F454-T456 PolarHBondContact O-N 3.46Å; T456-I458 VanDerWaalsContact C-N 3.33Å; T456-I458 PolarHBondContact O-N 3.18Å; T456-L459 PolarHBondContact O-N 3.3Å; T456-A460 VanDerWaalsContact O-CB 3.31Å; T456-A460 WeakPolarHBondContact O-CB 3.27Å; T456-A460 PolarHBondContact O-N 3.05Å
457	T	88.1	Confident	85.1	Confident	15 Å²	15	45.3 Å²	45.3	9%	0.092	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-39.4	174.7	-62.2	0	0	0	0	112	L384 F388 Y391 L453 F454 Y455 A460 N461	L384-T457 HydrophobicContact CD1-CG2 4.02Å; F388-T457 HydrophobicContact CE1-CG2 4.39Å; F388-T457 HydrophobicContact CZ-CG2 4.36Å; Y391-T457 HydrophobicContact CE2-CG2 4.04Å; Y391-T457 PolarHBondContact OH-OG1 2.84Å; L453-T457 VanDerWaalsContact O-CB 3.3Å; L453-T457 WeakPolarHBondContact O-CB 3.31Å; L453-T457 PolarHBondContact O-N 3.12Å; L453-T457 PolarHBondContact O-OG1 3.26Å; F454-T457 PolarHBondContact O-N 3.09Å; Y455-T457 VanDerWaalsContact C-N 3.31Å; Y455-T457 PolarHBondContact O-N 2.9Å; T457-A460 PolarHBondContact O-N 3.26Å; T457-N461 WeakPolarHBondContact O-CB 3.48Å; T457-N461 PolarHBondContact O-N 3.03Å; T457-N461 PolarHBondContact O-ND2 3.5Å
458	I	87.6	Confident	83.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-43.6	176.3	-64.9	173.1	0	0	0	110.9	F316 M371 F388 F454 Y455 T456 N461 S462 F466	F316-I458 HydrophobicContact CD1-CG2 3.77Å; F316-I458 HydrophobicContact CE1-CB 4.17Å; F316-I458 HydrophobicContact CE1-CD1 3.78Å; F316-I458 HydrophobicContact CE1-CG2 3.61Å; F316-I458 HydrophobicContact CE2-CD1 3.96Å; F316-I458 HydrophobicContact CG-CG2 4.42Å; F316-I458 HydrophobicContact CZ-CD1 3.29Å; F316-I458 HydrophobicContact CZ-CG1 4.47Å; F316-I458 HydrophobicContact CZ-CG2 4.14Å; M371-I458 HydrophobicContact CE-CB 4.23Å; M371-I458 HydrophobicContact CE-CD1 3.81Å; M371-I458 HydrophobicContact CE-CG1 3.66Å; M371-I458 HydrophobicContact CE-CG2 3.67Å; M371-I458 HydrophobicContact CG-CD1 3.82Å; M371-I458 HydrophobicContact CG-CG1 4.42Å; M371-I458 HydrophobicContact SD-CD1 4.2Å; F388-I458 HydrophobicContact CE1-CD1 4.22Å; F388-I458 HydrophobicContact CE1-CG1 3.61Å; F388-I458 HydrophobicContact CZ-CG1 3.78Å; F454-I458 HydrophobicContact CD1-CD1 3.93Å; F454-I458 HydrophobicContact CD2-CD1 4.3Å; F454-I458 HydrophobicContact CE1-CD1 3.48Å; F454-I458 VanDerWaalsContact CE1-CD1 3.48Å; F454-I458 HydrophobicContact CE2-CD1 3.87Å; F454-I458 HydrophobicContact CG-CD1 4.34Å; F454-I458 HydrophobicContact CZ-CD1 3.46Å; F454-I458 VanDerWaalsContact CZ-CD1 3.46Å; F454-I458 WeakPolarHBondContact O-CG1 3.28Å; F454-I458 PolarHBondContact O-N 2.96Å; F454-I458 VanDerWaalsContact O-N 3.15Å; Y455-I458 PolarHBondContact O-N 3.48Å; T456-I458 VanDerWaalsContact C-N 3.33Å; T456-I458 PolarHBondContact O-N 3.18Å; I458-N461 CarbonylContact O-C 3.59Å; I458-N461 PolarHBondContact O-N 3.23Å; I458-S462 VanDerWaalsContact O-CA 3.23Å; I458-S462 WeakPolarHBondContact O-CA 3.28Å; I458-S462 WeakPolarHBondContact O-CB 3.32Å; I458-S462 PolarHBondContact O-N 3.39Å; I458-F466 HydrophobicContact CG2-CE2 3.8Å; I458-F466 HydrophobicContact CG2-CZ 3.9Å
459	L	87.1	Confident	80.7	Confident	61 Å²	61	54.1 Å²	54.1	32%	0.319	29%	0.287	S	S	.	.	H	α-helix	trans	-64.8	-42.2	177.4	-68.4	-175.8	0	0	0	112	V313 T317 Y455 T456 N461 S462	V313-L459 HydrophobicContact CG1-CD2 3.87Å; T317-L459 HydrophobicContact CG2-CD2 3.92Å; Y455-L459 HydrophobicContact CD1-CD1 4.16Å; Y455-L459 HydrophobicContact CD2-CG 4.37Å; Y455-L459 HydrophobicContact CE1-CD1 3.61Å; Y455-L459 HydrophobicContact CE1-CG 4.38Å; Y455-L459 HydrophobicContact CE2-CD1 4.07Å; Y455-L459 HydrophobicContact CE2-CD2 4.1Å; Y455-L459 HydrophobicContact CE2-CG 3.99Å; Y455-L459 PolarHBondContact O-N 2.99Å; T456-L459 PolarHBondContact O-N 3.3Å; L459-N461 VanDerWaalsContact C-N 3.33Å; L459-N461 PolarHBondContact O-N 3.15Å; L459-S462 WeakPolarHBondContact O-CB 3.43Å; L459-S462 PolarHBondContact O-N 3.15Å; L459-S462 PolarHBondContact O-OG 3.07Å
460	A	84.8	Confident	77.7	Confident	80 Å²	80	58.1 Å²	58.1	66%	0.661	30%	0.302	S	S	*	.	H	α-helix	trans	-63.2	-38.9	178.5	0	0	0	0	0	112.1	T456 T457	T456-A460 VanDerWaalsContact O-CB 3.31Å; T456-A460 WeakPolarHBondContact O-CB 3.27Å; T456-A460 PolarHBondContact O-N 3.05Å; T457-A460 PolarHBondContact O-N 3.26Å
461	N	84.9	Confident	74.9	Confident	33 Å²	33	64.2 Å²	64.2	18%	0.176	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	16.6	-179.3	-60.5	-74.9	0	0	0	113	L384 T457 I458 L459 K463 I464 L465	L384-N461 HydrophobicContact CD1-CB 3.9Å; L384-N461 HydrophobicContact CD2-CB 3.77Å; T457-N461 WeakPolarHBondContact O-CB 3.48Å; T457-N461 PolarHBondContact O-N 3.03Å; T457-N461 PolarHBondContact O-ND2 3.5Å; I458-N461 CarbonylContact O-C 3.59Å; I458-N461 PolarHBondContact O-N 3.23Å; L459-N461 VanDerWaalsContact C-N 3.33Å; L459-N461 PolarHBondContact O-N 3.15Å; N461-K463 VanDerWaalsContact C-N 3.33Å; N461-K463 PolarHBondContact O-N 3.47Å; N461-I464 WeakPolarHBondContact O-CB 3.4Å; N461-I464 PolarHBondContact O-N 3Å; N461-L465 HydrophobicContact CB-CD1 3.96Å; N461-L465 PolarHBondContact O-N 3.35Å
462	S	84.4	Confident	71.8	Confident	25 Å²	25	74.7 Å²	74.7	18%	0.175	38%	0.375	C	S	.	.	H	α-helix	trans	-57.9	-40.5	-172.8	50.3	0	0	0	0	114	V313 I458 L459 I464 F466	V313-S462 VanDerWaalsContact CG2-CB 3.41Å; I458-S462 VanDerWaalsContact O-CA 3.23Å; I458-S462 WeakPolarHBondContact O-CA 3.28Å; I458-S462 WeakPolarHBondContact O-CB 3.32Å; I458-S462 PolarHBondContact O-N 3.39Å; L459-S462 WeakPolarHBondContact O-CB 3.43Å; L459-S462 PolarHBondContact O-N 3.15Å; L459-S462 PolarHBondContact O-OG 3.07Å; S462-I464 PolarHBondContact O-N 3.36Å; S462-F466 WeakPolarHBondContact O-CD2 3.19Å; S462-F466 PolarHBondContact O-N 2.81Å
463	K	77.7	Confident	68.6	Low	162 Å²	162	75.3 Å²	75.3	70%	0.704	38%	0.384	S	S	*	.	H	α-helix	trans	-62.5	-32	177.7	-68.7	-172.6	177.2	-172.8	0	112.5	N461 E671	N461-K463 VanDerWaalsContact C-N 3.33Å; N461-K463 PolarHBondContact O-N 3.47Å; K463-E671 IonicContact NZ-OE1 3.5Å
464	I	79	Confident	65.5	Low	49 Å²	49	79.3 Å²	79.3	25%	0.251	41%	0.413	S	S	.	.	H	α-helix	trans	-78.8	-53.8	-179.8	-58.2	169.2	0	0	0	108.4	T378 N461 S462 F466	T378-I464 HydrophobicContact CG2-CG2 3.93Å; T378-I464 WeakPolarHBondContact CG2-O 3.03Å; N461-I464 WeakPolarHBondContact O-CB 3.4Å; N461-I464 PolarHBondContact O-N 3Å; S462-I464 PolarHBondContact O-N 3.36Å; I464-F466 PolarHBondContact O-N 2.78Å
465	L	76	Confident	62.4	Low	7 Å²	7	87.9 Å²	87.9	4%	0.037	45%	0.453	C	S	.	.	H	α-helix	trans	-62.1	-42.4	-175.9	-83.8	149.4	0	0	0	114.3	M371 L374 L384 F388 N461	M371-L465 HydrophobicContact CE-CB 4.34Å; M371-L465 HydrophobicContact CE-CD1 3.57Å; M371-L465 HydrophobicContact CE-CD2 3.43Å; M371-L465 VanDerWaalsContact CE-CD2 3.43Å; M371-L465 HydrophobicContact CE-CG 3.95Å; L374-L465 HydrophobicContact CB-CD2 3.67Å; L384-L465 HydrophobicContact CD2-CD1 4.09Å; L384-L465 HydrophobicContact CD2-CG 4.08Å; F388-L465 HydrophobicContact CE2-CD1 3.95Å; F388-L465 HydrophobicContact CE2-CD2 4.04Å; F388-L465 HydrophobicContact CZ-CD1 3.81Å; N461-L465 HydrophobicContact CB-CD1 3.96Å; N461-L465 PolarHBondContact O-N 3.35Å
466	F	77.3	Confident	59.1	Low	17 Å²	17	89.9 Å²	89.9	8%	0.075	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	26.6	-171.9	-52.2	-65.9	0	0	0	112.9	F310 V313 F316 M371 L374 I458 S462 I464 Y468	F310-F466 HydrophobicContact CB-CD1 4.13Å; F310-F466 HydrophobicContact CB-CE1 3.59Å; F310-F466 WeakPolarHBondContact O-CD1 3.38Å; V313-F466 HydrophobicContact CB-CD2 4.37Å; V313-F466 HydrophobicContact CG2-CD2 3.54Å; V313-F466 HydrophobicContact CG2-CE2 4.11Å; V313-F466 HydrophobicContact CG2-CG 4.38Å; F316-F466 HydrophobicContact CB-CE1 4.24Å; F316-F466 HydrophobicContact CB-CE2 4.43Å; F316-F466 HydrophobicContact CB-CZ 3.76Å; F316-F466 HydrophobicContact CD1-CZ 4.43Å; F316-F466 HydrophobicContact CD2-CZ 4.37Å; F316-F466 AromaticContact CG-CZ 3.92Å; F316-F466 HydrophobicContact CG-CZ 3.92Å; M371-F466 HydrophobicContact CE-CE1 4.43Å; M371-F466 HydrophobicContact CE-CZ 3.91Å; L374-F466 HydrophobicContact CD1-CD1 4.42Å; L374-F466 HydrophobicContact CD1-CE1 4Å; I458-F466 HydrophobicContact CG2-CE2 3.8Å; I458-F466 HydrophobicContact CG2-CZ 3.9Å; S462-F466 WeakPolarHBondContact O-CD2 3.19Å; S462-F466 PolarHBondContact O-N 2.81Å; I464-F466 PolarHBondContact O-N 2.78Å; F466-Y468 PolarHBondContact O-N 3.15Å
467	H	62.2	Low	56	Low	130 Å²	130	93.5 Å²	93.5	60%	0.602	49%	0.49	S	S	*	.			trans	-58.6	133.5	175.4	-165.3	-82.6	0	0	0	109.8	S469	H467-S469 PolarHBondContact O-N 3.42Å
468	Y	50.8	Low	52.9	Low	158 Å²	158	105 Å²	105	62%	0.62	53%	0.531	S	S	*	.			trans	-50.1	115.7	169.4	-90.9	-96.4	0	0	0	107.9	F466 M470	F466-Y468 PolarHBondContact O-N 3.15Å; Y468-M470 PolarHBondContact O-N 3.22Å
469	S	37	Very low	49.8	Very low	78 Å²	78	114.4 Å²	114.4	55%	0.545	57%	0.572	S	S	.	*			trans	-45.4	104.9	174	174.8	0	0	0	0	109.7	H467 N471	H467-S469 PolarHBondContact O-N 3.42Å; S469-N471 PolarHBondContact O-N 3.3Å; S469-N471 PolarHBondContact OG-N 3.48Å
470	M	28.5	Very low	46.7	Very low	160 Å²	160	117.7 Å²	117.7	79%	0.788	60%	0.599	S	S	*	*			trans	-77	9.5	164.1	-77.7	-71.2	-110.6	0	0	110.6	Y468	Y468-M470 PolarHBondContact O-N 3.22Å
471	N	28	Very low	43.7	Very low	145 Å²	145	119 Å²	119	78%	0.775	60%	0.603	S	S	*	*			trans	-101.4	30.4	177.9	-69.7	-4.1	0	0	0	112.4	S469 S473	S469-N471 PolarHBondContact O-N 3.3Å; S469-N471 PolarHBondContact OG-N 3.48Å; N471-S473 VanDerWaalsContact C-N 3.33Å; N471-S473 PolarHBondContact O-N 3.41Å
472	R	25.5	Very low	40.6	Very low	221 Å²	221	122.5 Å²	122.5	83%	0.834	63%	0.63	S	S	*	*	S	Bend	trans	-77.9	99.6	148.6	-134	179.4	-162.5	177.5	4	105.8
473	S	22.2	Very low	37.7	Very low	75 Å²	75	129 Å²	129	52%	0.524	66%	0.662	S	S	.	*			trans	-39.9	135.8	174.6	53.9	0	0	0	0	110.6	N471 E475	N471-S473 VanDerWaalsContact C-N 3.33Å; N471-S473 PolarHBondContact O-N 3.41Å; S473-E475 PolarHBondContact O-N 3.1Å
474	P	24.2	Very low	35.3	Very low	137 Å²	137	127.2 Å²	127.2	89%	0.89	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	31.9	-174.8	30.7	-34.3	0	0	0	113.7
475	E	24.4	Very low	32.6	Very low	179 Å²	179	134.8 Å²	134.8	84%	0.836	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	4.9	-175.6	-83.2	179.8	158.3	0	0	115.4	S473	S473-E475 PolarHBondContact O-N 3.1Å
476	S	23.9	Very low	30.2	Very low	82 Å²	82	143.1 Å²	143.1	57%	0.573	74%	0.735	S	S	*	*	S	Bend	trans	-139.5	94.2	170.2	54.4	0	0	0	0	112.8
477	N	23.1	Very low	27.8	Very low	150 Å²	150	152.6 Å²	152.6	80%	0.802	78%	0.776	S	S	*	*			trans	139.7	62.9	144.2	-68.4	-22.9	0	0	0	112.8	K479	N477-K479 PolarHBondContact O-N 3.1Å
478	R	21.6	Very low	25.9	Very low	255 Å²	255	152.6 Å²	152.6	96%	0.962	79%	0.785	S	S	*	*			trans	-64.3	72.6	146.7	-80.7	-176.7	173.3	172.5	-0.8	109.6
479	K	24.2	Very low	24.6	Very low	199 Å²	199	153 Å²	153	87%	0.865	80%	0.798	S	S	*	*			trans	-153	69.2	161.9	-73.9	-163.6	-178.7	174.8	0	110.4	N477	N477-K479 PolarHBondContact O-N 3.1Å
480	C	20.3	Very low	24.1	Very low	130 Å²	130	158.2 Å²	158.2	88%	0.878	82%	0.816	S	S	*	*			trans	-149.4	94.6	142.3	-150.9	0	0	0	0	108.1
481	S	21.7	Very low	23.7	Very low	106 Å²	106	160.2 Å²	160.2	74%	0.741	82%	0.821	S	S	*	*			trans	-66.7	127.3	177.1	41.6	0	0	0	0	111.7
482	S	20.9	Very low	23.5	Very low	108 Å²	108	162.2 Å²	162.2	76%	0.755	83%	0.825	S	S	*	*			trans	27.6	110.9	139.5	59.8	0	0	0	0	118.7
483	L	24.2	Very low	23.5	Very low	160 Å²	160	161.3 Å²	161.3	84%	0.838	83%	0.827	S	S	*	*			trans	-145.4	122.5	148.4	-149.8	65.4	0	0	0	111.4
484	T	25.6	Very low	23.6	Very low	126 Å²	126	165.6 Å²	165.6	77%	0.773	84%	0.843	S	S	*	*			trans	67.8	88.3	156.8	53	0	0	0	0	119.7
485	K	23.4	Very low	23.4	Very low	207 Å²	207	167.1 Å²	167.1	90%	0.9	84%	0.844	S	S	*	*			trans	-75.6	112.4	140.6	-74.8	175	175.6	177.4	0	107.6
486	E	25.7	Very low	23.6	Very low	183 Å²	183	164.6 Å²	164.6	86%	0.855	84%	0.841	S	S	*	*			trans	177.1	103.3	156	-106.2	172.5	-158.7	0	0	110.1
487	K	25.7	Very low	23.4	Very low	216 Å²	216	165.4 Å²	165.4	94%	0.939	85%	0.847	S	S	*	*			trans	173.6	64.7	148.8	-98.4	171.4	-177.4	178.5	0	110.4
488	T	22.9	Very low	23.4	Very low	129 Å²	129	165.6 Å²	165.6	79%	0.791	85%	0.846	S	S	*	*			trans	-102.2	103.1	156.6	48.3	0	0	0	0	105.6
489	N	24.5	Very low	23.5	Very low	168 Å²	168	159 Å²	159	90%	0.898	84%	0.836	S	S	*	*			trans	171.9	58.1	161.3	-86.7	-12.4	0	0	0	113.4
490	M	24.7	Very low	23.3	Very low	187 Å²	187	155 Å²	155	92%	0.921	83%	0.833	S	S	*	*			trans	-139.2	59.7	160.1	-99.8	-143.4	-84.9	0	0	110.7
491	F	21.5	Very low	23.4	Very low	202 Å²	202	156.8 Å²	156.8	89%	0.886	83%	0.833	S	S	*	*			trans	-123.9	71.3	168.1	-81.5	-81	0	0	0	108.5
492	H	23.3	Very low	23.4	Very low	187 Å²	187	157.2 Å²	157.2	87%	0.866	84%	0.836	S	S	*	*			trans	-162.9	99.4	165	-118.3	-77.8	0	0	0	109.9
493	K	26.1	Very low	23.5	Very low	202 Å²	202	159.6 Å²	159.6	88%	0.878	84%	0.839	S	S	*	*			trans	147.8	97.5	155.9	-88.9	169.3	177.5	179.6	0	107.9
494	L	23.3	Very low	23.3	Very low	164 Å²	164	157.5 Å²	157.5	86%	0.859	84%	0.835	S	S	*	*			trans	179.2	62.7	141.4	-90.9	162.8	0	0	0	106.2
495	N	20.8	Very low	23.1	Very low	169 Å²	169	156.1 Å²	156.1	90%	0.904	83%	0.831	S	S	*	*			trans	-98	92.5	165	-129.4	7.1	0	0	0	104.7
496	T	27.2	Very low	23.1	Very low	127 Å²	127	156.4 Å²	156.4	78%	0.779	83%	0.832	S	S	*	*			trans	-134.5	131.2	167.3	49.8	0	0	0	0	108.6
497	S	21	Very low	22.8	Very low	98 Å²	98	155.3 Å²	155.3	69%	0.685	83%	0.832	S	S	*	*			trans	-104.6	162.8	-158.4	46.2	0	0	0	0	112.5
498	I	23.4	Very low	22.8	Very low	155 Å²	155	150.4 Å²	150.4	80%	0.795	83%	0.825	S	S	*	*			trans	87.6	144.7	159.5	-52.2	155.2	0	0	0	114.2
499	P	23.1	Very low	22.7	Very low	115 Å²	115	149.7 Å²	149.7	75%	0.747	83%	0.825	S	S	*	*			cis	-129.7	162.1	13.7	16.3	10.5	0	0	0	118
500	S	20.3	Very low	22.7	Very low	115 Å²	115	149.9 Å²	149.9	80%	0.804	83%	0.825	S	S	*	*			trans	-62.6	131.5	172.7	49.7	0	0	0	0	115
501	L	22.7	Very low	22.6	Very low	168 Å²	168	148.7 Å²	148.7	88%	0.88	82%	0.823	S	S	*	*			trans	-105.7	122.5	157.4	-118.4	84.7	0	0	0	109.3	I503	L501-I503 PolarHBondContact O-N 3.26Å
502	S	21.1	Very low	22.7	Very low	116 Å²	116	146.4 Å²	146.4	81%	0.811	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-57.2	121.9	-179	48.3	0	0	0	0	113.3
503	I	23.7	Very low	22.8	Very low	158 Å²	158	142.5 Å²	142.5	81%	0.81	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-103.8	134.8	165.8	-62.7	173.6	0	0	0	108.1	L501	L501-I503 PolarHBondContact O-N 3.26Å
504	P	19.5	Very low	22.7	Very low	115 Å²	115	139.2 Å²	139.2	75%	0.747	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.6	141.4	179.1	-13.2	28.6	0	0	0	112.3	F506	P504-F506 PolarHBondContact O-N 2.98Å
505	S	20	Very low	22.8	Very low	98 Å²	98	138.8 Å²	138.8	69%	0.685	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-52.3	118.6	177.9	52.3	0	0	0	0	114.7
506	F	23.6	Very low	23.2	Very low	212 Å²	212	135 Å²	135	93%	0.93	78%	0.782	S	S	*	*			trans	-120.9	109	141.3	-95.6	-83.9	0	0	0	108.1	P504 S508	P504-F506 PolarHBondContact O-N 2.98Å; F506-S508 PolarHBondContact O-N 3.27Å
507	N	20.8	Very low	23.3	Very low	161 Å²	161	138.8 Å²	138.8	86%	0.861	79%	0.788	S	S	*	*			trans	-68.9	109	173.6	-74.7	-29.5	0	0	0	109.7
508	S	25	Very low	23.7	Very low	112 Å²	112	143.3 Å²	143.3	78%	0.783	80%	0.798	S	S	*	*			trans	-158.1	109.4	140.9	68.9	0	0	0	0	109.1	F506 L510	F506-S508 PolarHBondContact O-N 3.27Å; S508-L510 PolarHBondContact O-N 3.33Å
509	S	20.1	Very low	24.1	Very low	114 Å²	114	141.7 Å²	141.7	80%	0.797	79%	0.785	S	S	*	*			trans	-50.2	121.1	170.6	49.1	0	0	0	0	112.7
510	L	26	Very low	24.5	Very low	173 Å²	173	142.9 Å²	142.9	91%	0.906	78%	0.779	S	S	*	*			trans	-158.6	143.3	142.1	-135.8	77.7	0	0	0	111.1	S508	S508-L510 PolarHBondContact O-N 3.33Å
511	N	22.2	Very low	25	Very low	161 Å²	161	139.1 Å²	139.1	86%	0.861	75%	0.75	S	S	*	*			trans	-63.9	146.1	-156.6	-74.3	-42.7	0	0	0	116.8	S513	N511-S513 PolarHBondContact O-N 2.97Å
512	I	22.7	Very low	25.9	Very low	155 Å²	155	134 Å²	134	80%	0.795	73%	0.728	S	S	*	*			trans	-59.5	120.8	163	-66.2	160.6	0	0	0	109.4
513	S	25.5	Very low	26.9	Very low	105 Å²	105	134.9 Å²	134.9	73%	0.734	72%	0.717	S	S	*	*			trans	-128.7	107.4	152.5	-178.7	0	0	0	0	108	N511 N515	N511-S513 PolarHBondContact O-N 2.97Å; S513-N515 PolarHBondContact O-N 2.8Å
514	N	24.3	Very low	27.7	Very low	133 Å²	133	128 Å²	128	71%	0.711	68%	0.683	S	S	*	*			trans	-55.3	125.3	166.7	-72.1	-32.7	0	0	0	109.1
515	N	25.4	Very low	28.6	Very low	155 Å²	155	126.6 Å²	126.6	83%	0.829	66%	0.663	S	S	*	*			trans	159	15.1	155	-81.2	-12.3	0	0	0	115.9	S513	S513-N515 PolarHBondContact O-N 2.8Å
516	N	28.6	Very low	29.9	Very low	89 Å²	89	128 Å²	128	48%	0.476	66%	0.66	S	S	.	*			trans	-111.1	60.2	-176	-72.7	-38.1	0	0	0	114.3	Q518 K519	N516-Q518 VanDerWaalsContact C-N 3.33Å; N516-K519 HydrophobicContact CB-CB 4.45Å
517	K	30.2	Very low	30.9	Very low	207 Å²	207	121.5 Å²	121.5	90%	0.9	63%	0.631	S	S	*	*	S	Bend	trans	-76.7	-13.2	170.5	-84	-174.1	177.9	-180	0	114.2
518	Q	28.8	Very low	31.5	Very low	192 Å²	192	115 Å²	115	90%	0.897	60%	0.596	S	S	*	*	S	Bend	trans	-102	-1.6	-179.5	-79.8	179.2	-9.8	0	0	115.8	N516	N516-Q518 VanDerWaalsContact C-N 3.33Å
519	K	32.9	Very low	32.1	Very low	121 Å²	121	114.5 Å²	114.5	53%	0.526	58%	0.584	S	S	.	*			trans	-101	0.2	-172.1	-76	-175.5	179.8	172.5	0	116.4	N516 L521 S522	N516-K519 HydrophobicContact CB-CB 4.45Å; K519-L521 VanDerWaalsContact C-N 3.35Å; K519-L521 PolarHBondContact O-N 2.83Å; K519-S522 PolarHBondContact O-OG 3.46Å
520	F	30.9	Very low	32.9	Very low	141 Å²	141	113 Å²	113	62%	0.618	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-24.6	-172.9	-83.7	-80.9	0	0	0	114.6
521	L	31.4	Very low	33.3	Very low	36 Å²	36	105.7 Å²	105.7	19%	0.188	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-11.9	-178.3	-80.8	164.7	0	0	0	114.5	K519 S524 K662	K519-L521 VanDerWaalsContact C-N 3.35Å; K519-L521 PolarHBondContact O-N 2.83Å; L521-S524 PolarHBondContact O-N 2.9Å; L521-S524 PolarHBondContact O-OG 3.08Å; L521-K662 HydrophobicContact CB-CG 4.42Å; L521-K662 HydrophobicContact CD1-CG 4.06Å; L521-K662 WeakPolarHBondContact O-CE 3.12Å; L521-K662 PolarHBondContact O-NZ 3.41Å
522	S	40.8	Very low	34	Very low	61 Å²	61	102.3 Å²	102.3	43%	0.427	52%	0.521	S	S	.	.	H	α-helix	trans	-66.4	-36.9	165.4	64.6	0	0	0	0	109.9	K519 S524 Y525 E526	K519-S522 PolarHBondContact O-OG 3.46Å; S522-S524 PolarHBondContact O-N 3.24Å; S522-S524 VanDerWaalsContact O-N 3.13Å; S522-Y525 PolarHBondContact O-N 2.96Å; S522-Y525 VanDerWaalsContact O-N 3.16Å; S522-E526 PolarHBondContact O-N 2.98Å
523	K	42.6	Very low	34.5	Very low	134 Å²	134	101 Å²	101	58%	0.583	52%	0.515	S	S	*	.	H	α-helix	trans	-57.7	-24.2	173.5	-76.2	-174.3	176.3	-174.8	0	113.9	F527	K523-F527 WeakPolarHBondContact O-CA 3.46Å; K523-F527 WeakPolarHBondContact O-CB 3.46Å; K523-F527 PolarHBondContact O-N 2.96Å
524	S	41.3	Very low	34.6	Very low	13 Å²	13	98.6 Å²	98.6	9%	0.091	50%	0.499	C	S	.	.	H	α-helix	trans	-74.6	-32.7	179.2	75	0	0	0	0	112.6	L521 S522 F527 I528	L521-S524 PolarHBondContact O-N 2.9Å; L521-S524 PolarHBondContact O-OG 3.08Å; S522-S524 PolarHBondContact O-N 3.24Å; S522-S524 VanDerWaalsContact O-N 3.13Å; S524-F527 WeakPolarHBondContact O-CB 3.5Å; S524-I528 VanDerWaalsContact O-CG1 3.32Å; S524-I528 WeakPolarHBondContact O-CG1 3.27Å; S524-I528 PolarHBondContact O-N 3.09Å
525	Y	38.4	Very low	34.8	Very low	85 Å²	85	98.9 Å²	98.9	33%	0.333	50%	0.5	S	S	.	.	H	α-helix	trans	-74.1	-42.6	172.7	-103.6	-92.3	0	0	0	111.6	S522 F527 I528 N529 V658 K662	S522-Y525 PolarHBondContact O-N 2.96Å; S522-Y525 VanDerWaalsContact O-N 3.16Å; Y525-F527 VanDerWaalsContact C-N 3.26Å; Y525-F527 PolarHBondContact O-N 3.33Å; Y525-I528 PolarHBondContact O-N 2.83Å; Y525-N529 PolarHBondContact O-N 2.9Å; Y525-V658 HydrophobicContact CD2-CG1 4.24Å; Y525-V658 HydrophobicContact CE2-CG1 4.06Å; Y525-K662 VanDerWaalsContact CD2-NZ 3.35Å
526	E	45.6	Very low	34.9	Very low	129 Å²	129	99.2 Å²	99.2	60%	0.603	50%	0.497	S	S	*	.	H	α-helix	trans	-60.3	-40.8	170.4	-80.1	-177.8	161.1	0	0	110.8	S522 I528 N529 T530	S522-E526 PolarHBondContact O-N 2.98Å; E526-I528 PolarHBondContact O-N 3.16Å; E526-N529 PolarHBondContact O-N 2.8Å; E526-T530 WeakPolarHBondContact O-CB 3Å; E526-T530 PolarHBondContact O-N 2.74Å; E526-T530 PolarHBondContact O-OG1 2.99Å
527	F	44.5	Very low	34.9	Very low	75 Å²	75	105.2 Å²	105.2	33%	0.329	52%	0.519	S	S	.	.	H	α-helix	trans	-55.5	-53.5	173.6	-174.2	-106.1	0	0	0	109.4	K523 S524 Y525 N529 T530 L531	K523-F527 WeakPolarHBondContact O-CA 3.46Å; K523-F527 WeakPolarHBondContact O-CB 3.46Å; K523-F527 PolarHBondContact O-N 2.96Å; S524-F527 WeakPolarHBondContact O-CB 3.5Å; Y525-F527 VanDerWaalsContact C-N 3.26Å; Y525-F527 PolarHBondContact O-N 3.33Å; F527-N529 PolarHBondContact O-N 3.49Å; F527-T530 VanDerWaalsContact CA-OG1 3.31Å; F527-T530 WeakPolarHBondContact CA-OG1 3.35Å; F527-T530 CarbonylContact O-C 3.6Å; F527-T530 PolarHBondContact O-N 2.81Å; F527-T530 VanDerWaalsContact O-N 3.11Å; F527-T530 PolarHBondContact O-OG1 3.48Å; F527-L531 HydrophobicContact CD1-CD1 4.04Å; F527-L531 HydrophobicContact CD1-CG 4.36Å; F527-L531 HydrophobicContact CE1-CD1 3.97Å; F527-L531 HydrophobicContact CE1-CD2 4.16Å; F527-L531 HydrophobicContact CE1-CG 4.35Å; F527-L531 HydrophobicContact CZ-CD2 4.16Å; F527-L531 VanDerWaalsContact O-CG 3.28Å; F527-L531 WeakPolarHBondContact O-CG 3.33Å; F527-L531 PolarHBondContact O-N 3.48Å
528	I	35.3	Very low	34.8	Very low	23 Å²	23	100.5 Å²	100.5	12%	0.118	50%	0.502	C	S	.	.	H	α-helix	trans	-56.9	-44.7	177	-67.4	170.2	0	0	0	112.6	S524 Y525 E526 T530 L531 S532 M599	S524-I528 VanDerWaalsContact O-CG1 3.32Å; S524-I528 WeakPolarHBondContact O-CG1 3.27Å; S524-I528 PolarHBondContact O-N 3.09Å; Y525-I528 PolarHBondContact O-N 2.83Å; E526-I528 PolarHBondContact O-N 3.16Å; I528-T530 PolarHBondContact O-N 2.84Å; I528-L531 VanDerWaalsContact O-CB 3.28Å; I528-L531 WeakPolarHBondContact O-CB 3.45Å; I528-L531 PolarHBondContact O-N 2.89Å; I528-S532 PolarHBondContact O-N 2.95Å; I528-M599 HydrophobicContact CD1-CE 3.74Å; I528-M599 HydrophobicContact CG1-CE 3.89Å
529	N	35.8	Very low	34.7	Very low	103 Å²	103	98 Å²	98	55%	0.551	49%	0.494	S	S	*	.	H	α-helix	trans	-67.9	-34.5	178	-72.8	-9.2	0	0	0	112.3	Y525 E526 F527 L531 S532	Y525-N529 PolarHBondContact O-N 2.9Å; E526-N529 PolarHBondContact O-N 2.8Å; F527-N529 PolarHBondContact O-N 3.49Å; N529-L531 PolarHBondContact O-N 3.38Å; N529-S532 PolarHBondContact O-N 3.23Å; N529-S532 PolarHBondContact O-OG 3.11Å
530	T	38.4	Very low	34.6	Very low	81 Å²	81	98 Å²	98	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-70.6	-19.1	171.3	49.5	0	0	0	0	112.8	E526 F527 I528 N533	E526-T530 WeakPolarHBondContact O-CB 3Å; E526-T530 PolarHBondContact O-N 2.74Å; E526-T530 PolarHBondContact O-OG1 2.99Å; F527-T530 VanDerWaalsContact CA-OG1 3.31Å; F527-T530 WeakPolarHBondContact CA-OG1 3.35Å; F527-T530 CarbonylContact O-C 3.6Å; F527-T530 PolarHBondContact O-N 2.81Å; F527-T530 VanDerWaalsContact O-N 3.11Å; F527-T530 PolarHBondContact O-OG1 3.48Å; I528-T530 PolarHBondContact O-N 2.84Å; T530-N533 PolarHBondContact O-N 2.86Å
531	L	33.4	Very low	34.8	Very low	21 Å²	21	94.4 Å²	94.4	11%	0.11	51%	0.508	C	S	.	.	H	α-helix	trans	-71.1	-36	174.5	-64.3	174	0	0	0	112.6	F527 I528 N529 N533 S603 R607	F527-L531 HydrophobicContact CD1-CD1 4.04Å; F527-L531 HydrophobicContact CD1-CG 4.36Å; F527-L531 HydrophobicContact CE1-CD1 3.97Å; F527-L531 HydrophobicContact CE1-CD2 4.16Å; F527-L531 HydrophobicContact CE1-CG 4.35Å; F527-L531 HydrophobicContact CZ-CD2 4.16Å; F527-L531 VanDerWaalsContact O-CG 3.28Å; F527-L531 WeakPolarHBondContact O-CG 3.33Å; F527-L531 PolarHBondContact O-N 3.48Å; I528-L531 VanDerWaalsContact O-CB 3.28Å; I528-L531 WeakPolarHBondContact O-CB 3.45Å; I528-L531 PolarHBondContact O-N 2.89Å; N529-L531 PolarHBondContact O-N 3.38Å; L531-N533 PolarHBondContact O-N 2.82Å; L531-S603 WeakPolarHBondContact CD1-OG 3.44Å; L531-S603 WeakPolarHBondContact CD2-OG 3.33Å; L531-R607 HydrophobicContact CD2-CG 4.47Å; L531-R607 VanDerWaalsContact CD2-NE 3.3Å; L531-R607 VanDerWaalsContact CD2-NH2 3.34Å
532	S	36.8	Very low	35.2	Very low	89 Å²	89	99.6 Å²	99.6	62%	0.622	54%	0.536	S	S	*	.	H	α-helix	trans	-66.8	-21.3	178	74	0	0	0	0	112.5	I528 N529	I528-S532 PolarHBondContact O-N 2.95Å; N529-S532 PolarHBondContact O-N 3.23Å; N529-S532 PolarHBondContact O-OG 3.11Å
533	N	34	Very low	35.8	Very low	127 Å²	127	99 Å²	99	68%	0.679	53%	0.529	S	S	*	.	H	α-helix	trans	-110.5	-2.5	-165.9	-67.3	-8.6	0	0	0	115.2	T530 L531 N535	T530-N533 PolarHBondContact O-N 2.86Å; L531-N533 PolarHBondContact O-N 2.82Å; N533-N535 PolarHBondContact O-N 2.76Å
534	S	27.1	Very low	36.7	Very low	56 Å²	56	93.6 Å²	93.6	39%	0.392	51%	0.507	S	S	.	.			trans	-89.7	82.1	-179.6	69	0	0	0	0	112.5	Q536	S534-Q536 PolarHBondContact O-N 3.18Å; S534-Q536 VanDerWaalsContact O-N 3.1Å
535	N	28.8	Very low	38	Very low	138 Å²	138	93.3 Å²	93.3	74%	0.738	51%	0.505	S	S	*	.			trans	-73.9	83.7	170.1	-74.9	-27.9	0	0	0	111	N533	N533-N535 PolarHBondContact O-N 2.76Å
536	Q	27.5	Very low	39.6	Very low	163 Å²	163	96.3 Å²	96.3	76%	0.762	52%	0.521	S	S	*	.			trans	-82.5	124.6	164.6	-89.7	-176.9	-18.4	0	0	110.2	S534 I538	S534-Q536 PolarHBondContact O-N 3.18Å; S534-Q536 VanDerWaalsContact O-N 3.1Å; Q536-I538 HydrophobicContact CB-CG1 4.44Å; Q536-I538 PolarHBondContact O-N 3.37Å; Q536-I538 VanDerWaalsContact O-N 3.09Å
537	K	27.6	Very low	41.1	Very low	215 Å²	215	95.9 Å²	95.9	94%	0.935	52%	0.518	S	S	*	.			trans	-66	98.1	172.2	-71.7	177.8	175.8	179.4	0	109.3
538	I	29.3	Very low	42.8	Very low	108 Å²	108	92.3 Å²	92.3	55%	0.554	50%	0.502	S	S	*	.			trans	-109.1	128.9	173.6	-58.8	175.6	0	0	0	109.8	Q536 Q615	Q536-I538 HydrophobicContact CB-CG1 4.44Å; Q536-I538 PolarHBondContact O-N 3.37Å; Q536-I538 VanDerWaalsContact O-N 3.09Å; I538-Q615 PolarHBondContact O-NE2 3.23Å
539	I	26.9	Very low	45	Very low	140 Å²	140	92.4 Å²	92.4	72%	0.718	51%	0.505	S	S	*	.			trans	-36.5	137.7	-173.5	-60.2	156.9	0	0	0	114.7	G541 Q615	I539-G541 PolarHBondContact O-N 3.5Å; I539-Q615 PolarHBondContact O-NE2 3.49Å
540	P	29.3	Very low	47.3	Very low	120 Å²	120	95.1 Å²	95.1	78%	0.779	51%	0.512	S	S	*	.			trans	-82.8	111.8	174.5	33	-28.7	0	0	0	109.5
541	G	35.5	Very low	49.5	Very low	65 Å²	65	94.3 Å²	94.3	67%	0.67	50%	0.501	S	S	*	.	S	Bend	trans	168.1	106.6	176.5	0	0	0	0	0	110.9	I539	I539-G541 PolarHBondContact O-N 3.5Å
542	N	40.3	Very low	52.1	Low	145 Å²	145	93.3 Å²	93.3	78%	0.775	50%	0.496	S	S	*	.			trans	67.5	103.9	-169.5	-84.8	-23.2	0	0	0	114.9	S544	N542-S544 PolarHBondContact O-N 3.44Å
543	L	52.4	Low	54.5	Low	50 Å²	50	93.6 Å²	93.6	26%	0.262	49%	0.49	S	S	.	.			trans	-57.2	85.8	150.1	-101.9	92.6	0	0	0	107.5	F545 I612 L616	L543-F545 HydrophobicContact CB-CD2 4.07Å; L543-F545 HydrophobicContact CB-CE2 3.99Å; L543-F545 HydrophobicContact CD2-CD2 4.04Å; L543-F545 HydrophobicContact CD2-CE1 4.03Å; L543-F545 HydrophobicContact CD2-CE2 3.24Å; L543-F545 HydrophobicContact CD2-CZ 3.24Å; L543-F545 HydrophobicContact CG-CE2 4.24Å; L543-F545 PolarHBondContact O-N 2.91Å; L543-I612 HydrophobicContact CD2-CG2 3.96Å; L543-L616 HydrophobicContact CD1-CD2 4.37Å; L543-L616 HydrophobicContact CD2-CD1 4.29Å; L543-L616 HydrophobicContact CD2-CD2 3.73Å; L543-L616 HydrophobicContact CD2-CG 4.04Å
544	S	61.5	Low	57.1	Low	20 Å²	20	91.5 Å²	91.5	14%	0.14	48%	0.479	C	S	.	.			trans	-81.5	74.2	172.4	59.8	0	0	0	0	107.1	N542 Q546 K547 L548 Y608	N542-S544 PolarHBondContact O-N 3.44Å; S544-Q546 PolarHBondContact O-N 3.12Å; S544-K547 PolarHBondContact O-N 3.04Å; S544-K547 VanDerWaalsContact OG-CD 3.22Å; S544-K547 WeakPolarHBondContact OG-CD 3.48Å; S544-K547 WeakPolarHBondContact OG-CG 2.92Å; S544-L548 PolarHBondContact O-N 2.81Å; S544-Y608 PolarHBondContact O-OH 3.4Å; S544-Y608 PolarHBondContact OG-OH 2.88Å
545	F	69.4	Low	60.1	Low	7 Å²	7	88.9 Å²	88.9	3%	0.031	46%	0.461	C	S	.	.	H	α-helix	trans	-48.3	-23.2	160.2	-72.1	-73.1	0	0	0	110.2	L543 L548 S549 I612 T709 E712 F713	L543-F545 HydrophobicContact CB-CD2 4.07Å; L543-F545 HydrophobicContact CB-CE2 3.99Å; L543-F545 HydrophobicContact CD2-CD2 4.04Å; L543-F545 HydrophobicContact CD2-CE1 4.03Å; L543-F545 HydrophobicContact CD2-CE2 3.24Å; L543-F545 HydrophobicContact CD2-CZ 3.24Å; L543-F545 HydrophobicContact CG-CE2 4.24Å; L543-F545 PolarHBondContact O-N 2.91Å; F545-L548 PolarHBondContact O-N 2.79Å; F545-S549 VanDerWaalsContact O-CB 3.32Å; F545-S549 WeakPolarHBondContact O-CB 3.24Å; F545-S549 PolarHBondContact O-N 3.12Å; F545-I612 HydrophobicContact CE1-CG2 4.34Å; F545-T709 HydrophobicContact CD1-CG2 4.3Å; F545-E712 HydrophobicContact CZ-CB 4.43Å; F545-F713 VanDerWaalsContact C-CZ 3.4Å; F545-F713 HydrophobicContact CB-CD2 4Å; F545-F713 HydrophobicContact CB-CE1 4.38Å; F545-F713 HydrophobicContact CB-CE2 3.49Å; F545-F713 VanDerWaalsContact CB-CE2 3.49Å; F545-F713 HydrophobicContact CB-CZ 3.75Å; F545-F713 WeakPolarHBondContact O-CE2 3.43Å
546	Q	72.2	Confident	63	Low	147 Å²	147	83.2 Å²	83.2	69%	0.687	43%	0.43	S	S	*	.	H	α-helix	trans	-62.7	-42.9	173.5	-161.5	-178.2	8.8	0	0	113.2	S544 L548 K550 F713	S544-Q546 PolarHBondContact O-N 3.12Å; Q546-L548 VanDerWaalsContact C-N 3.34Å; Q546-K550 WeakPolarHBondContact O-CB 3.29Å; Q546-K550 PolarHBondContact O-N 3.13Å; Q546-F713 HydrophobicContact CB-CE1 4.49Å; Q546-F713 HydrophobicContact CB-CZ 3.76Å; Q546-F713 HydrophobicContact CG-CZ 4.4Å
547	K	77.4	Confident	66	Low	121 Å²	121	82.4 Å²	82.4	53%	0.526	42%	0.421	S	S	.	.	H	α-helix	trans	-68	-39.2	173.8	-67.9	-176.4	-167.1	168.9	0	110.2	S544 K550 F551 Y608	S544-K547 PolarHBondContact O-N 3.04Å; S544-K547 VanDerWaalsContact OG-CD 3.22Å; S544-K547 WeakPolarHBondContact OG-CD 3.48Å; S544-K547 WeakPolarHBondContact OG-CG 2.92Å; K547-K550 WeakPolarHBondContact O-CB 3.37Å; K547-K550 PolarHBondContact O-N 3.38Å; K547-F551 HydrophobicContact CB-CD2 4.49Å; K547-F551 HydrophobicContact CB-CE2 4.3Å; K547-F551 WeakPolarHBondContact O-CD2 3.49Å; K547-F551 PolarHBondContact O-N 2.97Å; K547-Y608 HydrophobicContact CB-CE1 3.78Å; K547-Y608 HydrophobicContact CB-CE2 4.4Å; K547-Y608 WeakPolarHBondContact CB-OH 3.43Å; K547-Y608 HydrophobicContact CD-CE2 4.49Å
548	L	80	Confident	68.9	Low	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-62.7	-47.3	177.8	-177.9	54.9	0	0	0	111.1	S544 F545 Q546 K550 F551 C552 L605 Y608 T609 I612 T709	S544-L548 PolarHBondContact O-N 2.81Å; F545-L548 PolarHBondContact O-N 2.79Å; Q546-L548 VanDerWaalsContact C-N 3.34Å; L548-K550 VanDerWaalsContact C-N 3.3Å; L548-K550 PolarHBondContact O-N 2.75Å; L548-F551 WeakPolarHBondContact O-CB 2.94Å; L548-F551 PolarHBondContact O-N 3.37Å; L548-F551 VanDerWaalsContact O-N 3.09Å; L548-C552 PolarHBondContact O-N 3.45Å; L548-C552 PolarHBondContact O-SG 3.47Å; L548-C552 VanDerWaalsContact O-SG 3.39Å; L548-L605 HydrophobicContact CD1-CD1 3.46Å; L548-L605 VanDerWaalsContact CD1-CD1 3.46Å; L548-Y608 HydrophobicContact CB-CD1 3.78Å; L548-Y608 HydrophobicContact CB-CE1 3.68Å; L548-Y608 HydrophobicContact CD1-CD1 3.9Å; L548-Y608 HydrophobicContact CG-CD1 4.39Å; L548-Y608 VanDerWaalsContact N-CE1 3.33Å; L548-T609 WeakPolarHBondContact CD1-OG1 3.43Å; L548-T609 HydrophobicContact CD2-CG2 4.42Å; L548-I612 HydrophobicContact CB-CD1 3.8Å; L548-I612 HydrophobicContact CD2-CD1 3.61Å; L548-I612 HydrophobicContact CG-CD1 4.21Å; L548-T709 HydrophobicContact CB-CG2 4.43Å; L548-T709 HydrophobicContact CD2-CG2 3.23Å; L548-T709 HydrophobicContact CG-CG2 3.7Å
549	S	81.1	Confident	71.7	Confident	25 Å²	25	68 Å²	68	18%	0.175	36%	0.355	C	S	.	.	H	α-helix	trans	-56	-43.9	173.4	174.5	0	0	0	0	111.5	F545 F551 C552 L553 H706	F545-S549 VanDerWaalsContact O-CB 3.32Å; F545-S549 WeakPolarHBondContact O-CB 3.24Å; F545-S549 PolarHBondContact O-N 3.12Å; S549-F551 PolarHBondContact O-N 3.13Å; S549-C552 PolarHBondContact O-N 3.48Å; S549-L553 WeakPolarHBondContact O-CG 3.18Å; S549-L553 PolarHBondContact O-N 2.78Å; S549-H706 PolarHBondContact OG-CE1 2.88Å
550	K	84.3	Confident	74.7	Confident	159 Å²	159	64.2 Å²	64.2	69%	0.691	34%	0.337	S	S	*	.	H	α-helix	trans	-62.8	-39.9	174.5	-170.4	174.5	-177.6	176.3	0	112.7	Q546 K547 L548 N554	Q546-K550 WeakPolarHBondContact O-CB 3.29Å; Q546-K550 PolarHBondContact O-N 3.13Å; K547-K550 WeakPolarHBondContact O-CB 3.37Å; K547-K550 PolarHBondContact O-N 3.38Å; L548-K550 VanDerWaalsContact C-N 3.3Å; L548-K550 PolarHBondContact O-N 2.75Å; K550-N554 WeakPolarHBondContact O-CB 3.24Å; K550-N554 PolarHBondContact O-N 2.97Å
551	F	85.3	Confident	77.5	Confident	65 Å²	65	61.6 Å²	61.6	29%	0.285	32%	0.316	S	S	.	.	H	α-helix	trans	-64.7	-43.8	174.2	-75.9	-64.2	0	0	0	111.6	K547 L548 S549 L553 N554 S555 Q604 L605 Y608	K547-F551 HydrophobicContact CB-CD2 4.49Å; K547-F551 HydrophobicContact CB-CE2 4.3Å; K547-F551 WeakPolarHBondContact O-CD2 3.49Å; K547-F551 PolarHBondContact O-N 2.97Å; L548-F551 WeakPolarHBondContact O-CB 2.94Å; L548-F551 PolarHBondContact O-N 3.37Å; L548-F551 VanDerWaalsContact O-N 3.09Å; S549-F551 PolarHBondContact O-N 3.13Å; F551-L553 PolarHBondContact O-N 3.47Å; F551-N554 PolarHBondContact O-N 3.05Å; F551-S555 PolarHBondContact O-N 3.33Å; F551-S555 PolarHBondContact O-OG 3.47Å; F551-S555 VanDerWaalsContact O-OG 3.1Å; F551-Q604 HydrophobicContact CE1-CB 4.5Å; F551-L605 HydrophobicContact CB-CD1 3.95Å; F551-Y608 AromaticContact CD2-CD1 3.71Å; F551-Y608 HydrophobicContact CD2-CD1 3.71Å; F551-Y608 HydrophobicContact CD2-CD2 4.4Å; F551-Y608 HydrophobicContact CD2-CE1 4.3Å; F551-Y608 AromaticContact CD2-CG 3.78Å; F551-Y608 HydrophobicContact CD2-CG 3.78Å; F551-Y608 AromaticContact CE2-CD1 3.99Å; F551-Y608 HydrophobicContact CE2-CD1 3.99Å; F551-Y608 AromaticContact CE2-CD2 3.87Å; F551-Y608 HydrophobicContact CE2-CD2 3.87Å; F551-Y608 HydrophobicContact CE2-CE1 4.42Å; F551-Y608 HydrophobicContact CE2-CE2 4.33Å; F551-Y608 AromaticContact CE2-CG 3.7Å; F551-Y608 HydrophobicContact CE2-CG 3.7Å
552	C	86.6	Confident	80	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-48.7	175.2	-66.8	0	0	0	0	111.6	L548 S549 N554 S555 L556 L605 I702 H706	L548-C552 PolarHBondContact O-N 3.45Å; L548-C552 PolarHBondContact O-SG 3.47Å; L548-C552 VanDerWaalsContact O-SG 3.39Å; S549-C552 PolarHBondContact O-N 3.48Å; C552-N554 VanDerWaalsContact C-N 3.34Å; C552-N554 PolarHBondContact O-N 3.5Å; C552-S555 PolarHBondContact O-N 3.23Å; C552-L556 WeakPolarHBondContact O-CB 3.28Å; C552-L556 VanDerWaalsContact O-CG 3.28Å; C552-L556 WeakPolarHBondContact O-CG 3.49Å; C552-L556 PolarHBondContact O-N 3.19Å; C552-L605 VanDerWaalsContact SG-CD1 3.56Å; C552-I702 HydrophobicContact CB-CG2 4.01Å; C552-H706 HydrophobicContact CB-CB 3.88Å
553	L	87.5	Confident	82.2	Confident	94 Å²	94	52.4 Å²	52.4	49%	0.492	25%	0.251	S	S	.	.	H	α-helix	trans	-61.9	-41.1	179.5	-71.2	172.6	0	0	0	112.2	S549 F551 L556 Y557	S549-L553 WeakPolarHBondContact O-CG 3.18Å; S549-L553 PolarHBondContact O-N 2.78Å; F551-L553 PolarHBondContact O-N 3.47Å; L553-L556 PolarHBondContact O-N 3.03Å; L553-Y557 WeakPolarHBondContact O-CB 3.39Å; L553-Y557 PolarHBondContact O-N 2.87Å
554	N	88.3	Confident	83.6	Confident	83 Å²	83	54.8 Å²	54.8	44%	0.444	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-44.9	175.9	-174.2	48.6	0	0	0	111.9	K550 F551 C552 Y557 I558	K550-N554 WeakPolarHBondContact O-CB 3.24Å; K550-N554 PolarHBondContact O-N 2.97Å; F551-N554 PolarHBondContact O-N 3.05Å; C552-N554 VanDerWaalsContact C-N 3.34Å; C552-N554 PolarHBondContact O-N 3.5Å; N554-Y557 PolarHBondContact O-N 2.87Å; N554-I558 WeakPolarHBondContact O-CG1 3.3Å; N554-I558 PolarHBondContact O-N 3.27Å; N554-I558 VanDerWaalsContact O-N 3.11Å
555	S	90.1	Very high	84.4	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.007	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-38.4	177.9	-58.9	0	0	0	0	112.2	F551 C552 I558 I559 S601	F551-S555 PolarHBondContact O-N 3.33Å; F551-S555 PolarHBondContact O-OG 3.47Å; F551-S555 VanDerWaalsContact O-OG 3.1Å; C552-S555 PolarHBondContact O-N 3.23Å; S555-I558 PolarHBondContact O-N 2.96Å; S555-I559 WeakPolarHBondContact O-CG1 3.3Å; S555-I559 PolarHBondContact O-N 2.9Å; S555-I559 VanDerWaalsContact O-N 3.09Å; S555-S601 PolarHBondContact OG-O 2.97Å
556	L	90.6	Very high	84.7	Confident	19 Å²	19	55.2 Å²	55.2	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-44.3	174	-71.2	172.1	0	0	0	111.8	C552 L553 I558 I559 D560 Q699 I702 K703	C552-L556 WeakPolarHBondContact O-CB 3.28Å; C552-L556 VanDerWaalsContact O-CG 3.28Å; C552-L556 WeakPolarHBondContact O-CG 3.49Å; C552-L556 PolarHBondContact O-N 3.19Å; L553-L556 PolarHBondContact O-N 3.03Å; L556-I558 VanDerWaalsContact C-N 3.31Å; L556-I558 PolarHBondContact O-N 2.94Å; L556-I559 PolarHBondContact O-N 3.32Å; L556-I559 VanDerWaalsContact O-N 3.16Å; L556-D560 PolarHBondContact O-N 3.01Å; L556-Q699 HydrophobicContact CD2-CG 3.64Å; L556-I702 HydrophobicContact CD1-CG2 4.31Å; L556-I702 HydrophobicContact CD2-CB 4Å; L556-I702 HydrophobicContact CD2-CG2 3.89Å; L556-I702 HydrophobicContact CG-CB 4.41Å; L556-I702 HydrophobicContact CG-CG2 3.73Å; L556-K703 HydrophobicContact CD1-CG 4.1Å; L556-K703 HydrophobicContact CD2-CG 3.83Å
557	Y	90.5	Very high	84.7	Confident	146 Å²	146	51.7 Å²	51.7	57%	0.573	25%	0.248	S	C	*	.	H	α-helix	trans	-58.2	-41.9	176.5	176	-104.5	0	0	0	112.5	L553 N554 D560 N561	L553-Y557 WeakPolarHBondContact O-CB 3.39Å; L553-Y557 PolarHBondContact O-N 2.87Å; N554-Y557 PolarHBondContact O-N 2.87Å; Y557-D560 PolarHBondContact O-N 3.01Å; Y557-N561 WeakPolarHBondContact CE1-ND2 3.35Å; Y557-N561 WeakPolarHBondContact O-CB 3.38Å; Y557-N561 VanDerWaalsContact O-CG 3.28Å; Y557-N561 PolarHBondContact O-N 3.15Å; Y557-N561 PolarHBondContact O-ND2 3.44Å; Y557-N561 PolarHBondContact OH-ND2 3.25Å
558	I	88.6	Confident	84	Confident	21 Å²	21	48.9 Å²	48.9	11%	0.108	24%	0.237	C	C	.	.	H	α-helix	trans	-64.8	-42.4	176.6	-66.9	164.7	0	0	0	111	N554 S555 L556 N561 Y562 M597 V598 S601	N554-I558 WeakPolarHBondContact O-CG1 3.3Å; N554-I558 PolarHBondContact O-N 3.27Å; N554-I558 VanDerWaalsContact O-N 3.11Å; S555-I558 PolarHBondContact O-N 2.96Å; L556-I558 VanDerWaalsContact C-N 3.31Å; L556-I558 PolarHBondContact O-N 2.94Å; I558-N561 PolarHBondContact O-N 3.34Å; I558-Y562 PolarHBondContact O-N 3.08Å; I558-M597 HydrophobicContact CG2-CB 3.99Å; I558-M597 HydrophobicContact CG2-CE 4.46Å; I558-V598 HydrophobicContact CG2-CG2 3.93Å; I558-S601 VanDerWaalsContact CD1-CB 3.48Å
559	I	88.9	Confident	83.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.2	-41.7	178.3	-67.2	164.9	0	0	0	111.1	S555 L556 N561 Y562 L563 V598 V698 Q699 I702	S555-I559 WeakPolarHBondContact O-CG1 3.3Å; S555-I559 PolarHBondContact O-N 2.9Å; S555-I559 VanDerWaalsContact O-N 3.09Å; L556-I559 PolarHBondContact O-N 3.32Å; L556-I559 VanDerWaalsContact O-N 3.16Å; I559-N561 VanDerWaalsContact C-N 3.34Å; I559-N561 PolarHBondContact O-N 2.88Å; I559-Y562 PolarHBondContact O-N 3.45Å; I559-Y562 VanDerWaalsContact O-N 3.14Å; I559-L563 HydrophobicContact CG2-CD1 4.02Å; I559-L563 HydrophobicContact CG2-CG 4.33Å; I559-L563 WeakPolarHBondContact O-CG 3.43Å; I559-L563 PolarHBondContact O-N 3.14Å; I559-V598 HydrophobicContact CD1-CG1 4.45Å; I559-V598 HydrophobicContact CG1-CG1 4.04Å; I559-V598 HydrophobicContact CG1-CG2 4.01Å; I559-V698 HydrophobicContact CD1-CB 4.34Å; I559-V698 HydrophobicContact CD1-CG1 3.64Å; I559-Q699 HydrophobicContact CG2-CB 4.02Å; I559-Q699 HydrophobicContact CG2-CG 4.17Å; I559-I702 HydrophobicContact CD1-CD1 3.61Å
560	D	88.9	Confident	82	Confident	61 Å²	61	54 Å²	54	33%	0.326	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-41.1	177.9	-71.6	-17.5	0	0	0	111.3	L556 Y557 Y562 L563 N564 Q699	L556-D560 PolarHBondContact O-N 3.01Å; Y557-D560 PolarHBondContact O-N 3.01Å; D560-Y562 VanDerWaalsContact C-N 3.29Å; D560-Y562 PolarHBondContact O-N 2.92Å; D560-L563 PolarHBondContact O-N 3.15Å; D560-N564 WeakPolarHBondContact O-CB 3.44Å; D560-N564 PolarHBondContact O-N 3Å; D560-N564 PolarHBondContact O-ND2 3.35Å; D560-Q699 PolarHBondContact OD1-NE2 3.4Å
561	N	87.3	Confident	80.2	Confident	64 Å²	64	50.1 Å²	50.1	34%	0.342	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-40	172.3	-74.1	-21.1	0	0	0	112	Y557 I558 I559 N564 Y565	Y557-N561 WeakPolarHBondContact CE1-ND2 3.35Å; Y557-N561 WeakPolarHBondContact O-CB 3.38Å; Y557-N561 VanDerWaalsContact O-CG 3.28Å; Y557-N561 PolarHBondContact O-N 3.15Å; Y557-N561 PolarHBondContact O-ND2 3.44Å; Y557-N561 PolarHBondContact OH-ND2 3.25Å; I558-N561 PolarHBondContact O-N 3.34Å; I559-N561 VanDerWaalsContact C-N 3.34Å; I559-N561 PolarHBondContact O-N 2.88Å; N561-N564 PolarHBondContact O-N 3.28Å; N561-Y565 WeakPolarHBondContact O-CB 3.42Å; N561-Y565 PolarHBondContact O-N 2.88Å
562	Y	87.8	Confident	78.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-69.7	-42.2	177.3	-170.8	-170.7	0	0	0	112	I558 I559 D560 N564 Y565 L566 I591 Q594 T595 V598 L695	I558-Y562 PolarHBondContact O-N 3.08Å; I559-Y562 PolarHBondContact O-N 3.45Å; I559-Y562 VanDerWaalsContact O-N 3.14Å; D560-Y562 VanDerWaalsContact C-N 3.29Å; D560-Y562 PolarHBondContact O-N 2.92Å; Y562-N564 VanDerWaalsContact C-N 3.33Å; Y562-N564 PolarHBondContact O-N 3.37Å; Y562-Y565 HydrophobicContact CD2-CD1 4.26Å; Y562-Y565 HydrophobicContact CE2-CD1 4.33Å; Y562-Y565 WeakPolarHBondContact O-CB 3.4Å; Y562-Y565 PolarHBondContact O-N 2.79Å; Y562-L566 HydrophobicContact CD2-CD1 4.47Å; Y562-L566 HydrophobicContact CD2-CD2 4.41Å; Y562-L566 HydrophobicContact CD2-CG 4.08Å; Y562-L566 HydrophobicContact CE2-CD1 4.19Å; Y562-L566 HydrophobicContact CE2-CD2 3.82Å; Y562-L566 HydrophobicContact CE2-CG 3.91Å; Y562-L566 WeakPolarHBondContact O-CG 3.33Å; Y562-L566 PolarHBondContact O-N 3.43Å; Y562-I591 VanDerWaalsContact OH-CG2 3.31Å; Y562-I591 WeakPolarHBondContact OH-CG2 3.46Å; Y562-Q594 HydrophobicContact CD1-CB 3.86Å; Y562-Q594 HydrophobicContact CD2-CB 3.52Å; Y562-Q594 HydrophobicContact CD2-CG 3.83Å; Y562-Q594 HydrophobicContact CE1-CB 3.9Å; Y562-Q594 HydrophobicContact CE2-CB 3.59Å; Y562-Q594 HydrophobicContact CE2-CG 4.11Å; Y562-Q594 HydrophobicContact CG-CB 3.69Å; Y562-Q594 HydrophobicContact CG-CG 4.28Å; Y562-T595 PolarHBondContact OH-OG1 3.07Å; Y562-V598 HydrophobicContact CD1-CG2 3.92Å; Y562-L695 HydrophobicContact CD1-CD1 3.58Å; Y562-L695 HydrophobicContact CD1-CD2 3.43Å; Y562-L695 VanDerWaalsContact CD1-CD2 3.43Å; Y562-L695 HydrophobicContact CD1-CG 4.14Å; Y562-L695 HydrophobicContact CD2-CD1 4.38Å; Y562-L695 HydrophobicContact CE1-CD1 3.71Å; Y562-L695 HydrophobicContact CE1-CD2 3.71Å; Y562-L695 HydrophobicContact CE1-CG 4.22Å; Y562-L695 HydrophobicContact CE2-CD1 4.48Å; Y562-L695 HydrophobicContact CG-CD1 3.93Å; Y562-L695 HydrophobicContact CG-CD2 4.38Å
563	L	86.7	Confident	75.7	Confident	17 Å²	17	60.7 Å²	60.7	9%	0.089	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-43.7	173.9	-74.9	171.2	0	0	0	111.4	I559 D560 Y565 L566 I567 N692 L695	I559-L563 HydrophobicContact CG2-CD1 4.02Å; I559-L563 HydrophobicContact CG2-CG 4.33Å; I559-L563 WeakPolarHBondContact O-CG 3.43Å; I559-L563 PolarHBondContact O-N 3.14Å; D560-L563 PolarHBondContact O-N 3.15Å; L563-Y565 VanDerWaalsContact C-N 3.33Å; L563-Y565 PolarHBondContact O-N 2.89Å; L563-L566 PolarHBondContact O-N 3.07Å; L563-L566 VanDerWaalsContact O-N 3.08Å; L563-I567 WeakPolarHBondContact O-CG1 3.45Å; L563-I567 PolarHBondContact O-N 3.41Å; L563-N692 WeakPolarHBondContact CD2-OD1 3.27Å; L563-L695 HydrophobicContact CD2-CB 3.84Å; L563-L695 HydrophobicContact CD2-CD1 4.04Å; L563-L695 HydrophobicContact CG-CB 4.33Å; L563-L695 HydrophobicContact CG-CD1 4.49Å
564	N	82.2	Confident	73.2	Confident	100 Å²	100	60.6 Å²	60.6	54%	0.535	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-39.7	175.1	-73	-27.1	0	0	0	112.2	D560 N561 Y562 L566 I567 Q568	D560-N564 WeakPolarHBondContact O-CB 3.44Å; D560-N564 PolarHBondContact O-N 3Å; D560-N564 PolarHBondContact O-ND2 3.35Å; N561-N564 PolarHBondContact O-N 3.28Å; Y562-N564 VanDerWaalsContact C-N 3.33Å; Y562-N564 PolarHBondContact O-N 3.37Å; N564-L566 VanDerWaalsContact C-N 3.31Å; N564-L566 PolarHBondContact O-N 2.89Å; N564-I567 PolarHBondContact O-N 2.89Å; N564-Q568 PolarHBondContact O-N 2.97Å
565	Y	79.8	Confident	70.4	Confident	36 Å²	36	60.6 Å²	60.6	14%	0.141	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-41.9	171.6	179.6	-100.3	0	0	0	111.2	N561 Y562 L563 Q568 F569 L586 S590 I591	N561-Y565 WeakPolarHBondContact O-CB 3.42Å; N561-Y565 PolarHBondContact O-N 2.88Å; Y562-Y565 HydrophobicContact CD2-CD1 4.26Å; Y562-Y565 HydrophobicContact CE2-CD1 4.33Å; Y562-Y565 WeakPolarHBondContact O-CB 3.4Å; Y562-Y565 PolarHBondContact O-N 2.79Å; L563-Y565 VanDerWaalsContact C-N 3.33Å; L563-Y565 PolarHBondContact O-N 2.89Å; Y565-Q568 WeakPolarHBondContact O-CB 3.46Å; Y565-F569 AromaticContact CD1-CE2 3.96Å; Y565-F569 HydrophobicContact CD1-CE2 3.96Å; Y565-F569 HydrophobicContact CD2-CE2 4.22Å; Y565-F569 AromaticContact CE1-CE2 3.67Å; Y565-F569 HydrophobicContact CE1-CE2 3.67Å; Y565-F569 HydrophobicContact CE1-CZ 4.31Å; Y565-F569 AromaticContact CE2-CE2 3.96Å; Y565-F569 HydrophobicContact CE2-CE2 3.96Å; Y565-F569 HydrophobicContact CE2-CZ 4.07Å; Y565-F569 HydrophobicContact CG-CE2 4.23Å; Y565-F569 AromaticContact CZ-CE2 3.67Å; Y565-F569 AromaticContact CZ-CZ 3.86Å; Y565-F569 WeakPolarHBondContact O-CD2 3.38Å; Y565-F569 WeakPolarHBondContact O-CE2 3.36Å; Y565-L586 HydrophobicContact CE1-CD1 3.92Å; Y565-S590 VanDerWaalsContact OH-CB 3.3Å; Y565-S590 WeakPolarHBondContact OH-CB 3.49Å; Y565-I591 HydrophobicContact CE1-CG1 4.27Å
566	L	75.5	Confident	67.7	Low	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-69.9	-35	177.9	-65.4	-177.6	0	0	0	113.8	Y562 L563 N564 Q568 F569 Q570 L688 L691 L695	Y562-L566 HydrophobicContact CD2-CD1 4.47Å; Y562-L566 HydrophobicContact CD2-CD2 4.41Å; Y562-L566 HydrophobicContact CD2-CG 4.08Å; Y562-L566 HydrophobicContact CE2-CD1 4.19Å; Y562-L566 HydrophobicContact CE2-CD2 3.82Å; Y562-L566 HydrophobicContact CE2-CG 3.91Å; Y562-L566 WeakPolarHBondContact O-CG 3.33Å; Y562-L566 PolarHBondContact O-N 3.43Å; L563-L566 PolarHBondContact O-N 3.07Å; L563-L566 VanDerWaalsContact O-N 3.08Å; N564-L566 VanDerWaalsContact C-N 3.31Å; N564-L566 PolarHBondContact O-N 2.89Å; L566-Q568 PolarHBondContact O-N 2.8Å; L566-F569 PolarHBondContact O-N 2.67Å; L566-Q570 PolarHBondContact O-N 2.94Å; L566-L688 HydrophobicContact CB-CD1 4.23Å; L566-L688 HydrophobicContact CD1-CD1 4.33Å; L566-L688 HydrophobicContact CD2-CD1 3.8Å; L566-L688 HydrophobicContact CG-CD1 4.34Å; L566-L691 HydrophobicContact CD1-CD2 3.77Å; L566-L691 HydrophobicContact CD1-CG 4Å; L566-L691 HydrophobicContact CD2-CD2 3.93Å; L566-L695 HydrophobicContact CD1-CD1 3.51Å
567	I	72	Confident	64.8	Low	73 Å²	73	73 Å²	73	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-60.3	-35.1	178.9	-71.6	165.8	0	0	0	111.3	L563 N564 F569 Q570 N571	L563-I567 WeakPolarHBondContact O-CG1 3.45Å; L563-I567 PolarHBondContact O-N 3.41Å; N564-I567 PolarHBondContact O-N 2.89Å; I567-F569 PolarHBondContact O-N 2.99Å; I567-Q570 PolarHBondContact O-N 3.39Å; I567-Q570 VanDerWaalsContact O-N 3.12Å; I567-N571 PolarHBondContact O-N 2.98Å
568	Q	62.8	Low	61.8	Low	63 Å²	63	68.7 Å²	68.7	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-55.3	-22.3	175.4	-169.6	178.2	-2	0	0	112.7	N564 Y565 L566	N564-Q568 PolarHBondContact O-N 2.97Å; Y565-Q568 WeakPolarHBondContact O-CB 3.46Å; L566-Q568 PolarHBondContact O-N 2.8Å
569	F	61.2	Low	59.1	Low	48 Å²	48	73.5 Å²	73.5	21%	0.211	41%	0.409	C	S	.	.	H	α-helix	trans	-107.1	-12.5	-178.6	-52	-74.3	0	0	0	114.3	Y565 L566 I567 N571 L586 L688	Y565-F569 AromaticContact CD1-CE2 3.96Å; Y565-F569 HydrophobicContact CD1-CE2 3.96Å; Y565-F569 HydrophobicContact CD2-CE2 4.22Å; Y565-F569 AromaticContact CE1-CE2 3.67Å; Y565-F569 HydrophobicContact CE1-CE2 3.67Å; Y565-F569 HydrophobicContact CE1-CZ 4.31Å; Y565-F569 AromaticContact CE2-CE2 3.96Å; Y565-F569 HydrophobicContact CE2-CE2 3.96Å; Y565-F569 HydrophobicContact CE2-CZ 4.07Å; Y565-F569 HydrophobicContact CG-CE2 4.23Å; Y565-F569 AromaticContact CZ-CE2 3.67Å; Y565-F569 AromaticContact CZ-CZ 3.86Å; Y565-F569 WeakPolarHBondContact O-CD2 3.38Å; Y565-F569 WeakPolarHBondContact O-CE2 3.36Å; L566-F569 PolarHBondContact O-N 2.67Å; I567-F569 PolarHBondContact O-N 2.99Å; F569-N571 VanDerWaalsContact C-N 3.35Å; F569-L586 HydrophobicContact CD1-CB 4.42Å; F569-L586 HydrophobicContact CD1-CD1 4.05Å; F569-L586 HydrophobicContact CD2-CD1 3.64Å; F569-L586 HydrophobicContact CE1-CB 3.87Å; F569-L586 HydrophobicContact CE1-CD1 3.75Å; F569-L586 HydrophobicContact CE1-CG 4.43Å; F569-L586 HydrophobicContact CE2-CD1 3.31Å; F569-L586 HydrophobicContact CG-CD1 4Å; F569-L586 HydrophobicContact CZ-CB 4.11Å; F569-L586 HydrophobicContact CZ-CD1 3.38Å; F569-L586 HydrophobicContact CZ-CG 4.38Å; F569-L688 HydrophobicContact CB-CD2 4.49Å
570	Q	56.9	Low	56.4	Low	85 Å²	85	83.6 Å²	83.6	40%	0.397	45%	0.449	S	S	.	.	H	α-helix	trans	-76.3	-27.8	171.6	-93.5	178.1	-18.1	0	0	111.8	L566 I567 D572 L688	L566-Q570 PolarHBondContact O-N 2.94Å; I567-Q570 PolarHBondContact O-N 3.39Å; I567-Q570 VanDerWaalsContact O-N 3.12Å; Q570-D572 PolarHBondContact O-N 3.37Å; Q570-L688 HydrophobicContact CG-CD2 3.61Å; Q570-L688 HydrophobicContact CG-CG 4.22Å
571	N	46.1	Very low	53.7	Low	76 Å²	76	86.4 Å²	86.4	41%	0.406	46%	0.458	S	S	.	.			trans	-95.3	89.4	-178.9	-61.4	-21.3	0	0	0	109.8	I567 F569 T573 I574	I567-N571 PolarHBondContact O-N 2.98Å; F569-N571 VanDerWaalsContact C-N 3.35Å; N571-T573 PolarHBondContact O-N 3.16Å; N571-I574 HydrophobicContact CB-CG1 4.24Å
572	D	43.5	Very low	51.1	Low	166 Å²	166	92 Å²	92	89%	0.888	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-6.5	166.6	-79.7	-31.6	0	0	0	112.6	Q570	Q570-D572 PolarHBondContact O-N 3.37Å
573	T	34.2	Very low	48.5	Very low	122 Å²	122	100.6 Å²	100.6	75%	0.748	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	8.9	-171.5	53	0	0	0	0	115.5	N571 S575	N571-T573 PolarHBondContact O-N 3.16Å; T573-S575 PolarHBondContact O-N 3.24Å
574	I	36.1	Very low	46.3	Very low	91 Å²	91	102.9 Å²	102.9	47%	0.467	53%	0.532	S	S	.	.			trans	-75	83.9	168.8	-56.5	179.4	0	0	0	109	N571	N571-I574 HydrophobicContact CB-CG1 4.24Å
575	S	29	Very low	44.4	Very low	84 Å²	84	100.5 Å²	100.5	59%	0.587	52%	0.519	S	S	*	.			trans	8.3	120.7	144.3	-178.1	0	0	0	0	115.3	T573 N577	T573-S575 PolarHBondContact O-N 3.24Å; S575-N577 PolarHBondContact O-N 2.84Å
576	V	33.9	Very low	43.1	Very low	145 Å²	145	99.8 Å²	99.8	88%	0.879	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-3.4	175.6	171.5	0	0	0	0	114.6
577	N	30	Very low	42.5	Very low	134 Å²	134	102 Å²	102	72%	0.717	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	32.9	-163.9	-70.5	-10.2	0	0	0	117.1	S575	S575-N577 PolarHBondContact O-N 2.84Å
578	S	27.5	Very low	42	Very low	56 Å²	56	101 Å²	101	39%	0.392	53%	0.528	S	S	.	.			trans	-110.3	110	161.3	-179	0	0	0	0	111.2	Y580 F581	S578-Y580 PolarHBondContact O-N 3.01Å; S578-Y580 VanDerWaalsContact O-N 3.13Å; S578-F581 PolarHBondContact O-N 3.02Å
579	P	31.1	Very low	42.3	Very low	123 Å²	123	102.7 Å²	102.7	80%	0.799	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	0.1	-173.4	29	-32.7	0	0	0	114.4
580	Y	32.2	Very low	43	Very low	212 Å²	212	101.8 Å²	101.8	83%	0.831	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-3.8	176.9	-69.4	-74.6	0	0	0	114.5	S578 K582	S578-Y580 PolarHBondContact O-N 3.01Å; S578-Y580 VanDerWaalsContact O-N 3.13Å; Y580-K582 PolarHBondContact O-N 2.89Å; Y580-K582 VanDerWaalsContact O-N 3.14Å
581	F	31.2	Very low	44.1	Very low	119 Å²	119	97.9 Å²	97.9	52%	0.522	52%	0.517	S	S	.	.			trans	-83.3	95.9	176.1	-83.8	-87.2	0	0	0	110.6	S578 K583	S578-F581 PolarHBondContact O-N 3.02Å; F581-K583 PolarHBondContact O-N 2.9Å
582	K	33.1	Very low	45.7	Very low	182 Å²	182	95.4 Å²	95.4	79%	0.791	50%	0.504	S	S	*	.			trans	-52.6	109.5	157.8	-86.9	178.6	175.9	175	0	106.7	Y580 T584	Y580-K582 PolarHBondContact O-N 2.89Å; Y580-K582 VanDerWaalsContact O-N 3.14Å; K582-T584 PolarHBondContact O-N 2.74Å
583	K	34.4	Very low	47.5	Very low	181 Å²	181	91.6 Å²	91.6	79%	0.787	48%	0.481	S	S	*	.			trans	-56.1	85.6	165.7	-79.1	178.3	175.2	176.5	0	108	F581 N585	F581-K583 PolarHBondContact O-N 2.9Å; K583-N585 PolarHBondContact O-N 2.85Å
584	T	38.8	Very low	49.9	Very low	65 Å²	65	87.8 Å²	87.8	40%	0.399	45%	0.454	S	S	.	.			trans	-71.5	93.3	164.7	48	0	0	0	0	104.8	K582 L586	K582-T584 PolarHBondContact O-N 2.74Å; T584-L586 PolarHBondContact O-N 3.18Å
585	N	42.3	Very low	52.4	Low	50 Å²	50	83.6 Å²	83.6	27%	0.267	43%	0.433	S	S	.	.			trans	-46.6	128.1	166.4	-72.2	-22.7	0	0	0	106.7	K583 S587 S677	K583-N585 PolarHBondContact O-N 2.85Å; N585-S587 PolarHBondContact O-N 3.28Å; N585-S677 PolarHBondContact ND2-O 2.96Å
586	L	54.4	Low	55.1	Low	20 Å²	20	83.4 Å²	83.4	11%	0.105	42%	0.422	C	S	.	.			trans	-61.4	85.9	175.8	-172.4	88	0	0	0	108.2	Y565 F569 T584 I588 I591 I683	Y565-L586 HydrophobicContact CE1-CD1 3.92Å; F569-L586 HydrophobicContact CD1-CB 4.42Å; F569-L586 HydrophobicContact CD1-CD1 4.05Å; F569-L586 HydrophobicContact CD2-CD1 3.64Å; F569-L586 HydrophobicContact CE1-CB 3.87Å; F569-L586 HydrophobicContact CE1-CD1 3.75Å; F569-L586 HydrophobicContact CE1-CG 4.43Å; F569-L586 HydrophobicContact CE2-CD1 3.31Å; F569-L586 HydrophobicContact CG-CD1 4Å; F569-L586 HydrophobicContact CZ-CB 4.11Å; F569-L586 HydrophobicContact CZ-CD1 3.38Å; F569-L586 HydrophobicContact CZ-CG 4.38Å; T584-L586 PolarHBondContact O-N 3.18Å; L586-I588 PolarHBondContact O-N 2.89Å; L586-I591 HydrophobicContact CD1-CD1 3.95Å; L586-I591 HydrophobicContact CD1-CG1 4.19Å; L586-I591 HydrophobicContact CD2-CD1 4.03Å; L586-I591 HydrophobicContact CG-CD1 4.1Å; L586-I683 HydrophobicContact CD2-CD1 3.56Å; L586-I683 HydrophobicContact CD2-CG1 3.7Å
587	S	61.1	Low	57.6	Low	48 Å²	48	80.7 Å²	80.7	34%	0.336	40%	0.4	S	S	.	.			trans	-76.6	127.8	171.8	90.4	0	0	0	0	105.5	N585 Q589 S590 I591	N585-S587 PolarHBondContact O-N 3.28Å; S587-Q589 PolarHBondContact O-N 3.26Å; S587-Q589 VanDerWaalsContact O-N 3.12Å; S587-S590 WeakPolarHBondContact O-CA 3.47Å; S587-S590 VanDerWaalsContact O-CB 3.23Å; S587-S590 WeakPolarHBondContact O-CB 3.23Å; S587-S590 PolarHBondContact O-N 3.07Å; S587-S590 PolarHBondContact OG-N 3.39Å; S587-S590 PolarHBondContact OG-OG 3.39Å; S587-I591 PolarHBondContact O-N 2.96Å
588	I	61.5	Low	60.4	Low	50 Å²	50	74.3 Å²	74.3	26%	0.256	37%	0.366	S	S	.	.	H	α-helix	trans	-51	-35.2	172.2	-56.9	171.6	0	0	0	109.6	L586 S590 I591 I592 L668	L586-I588 PolarHBondContact O-N 2.89Å; I588-S590 VanDerWaalsContact C-N 3.29Å; I588-S590 PolarHBondContact O-N 3.28Å; I588-I591 PolarHBondContact O-N 2.88Å; I588-I591 VanDerWaalsContact O-N 3.16Å; I588-I592 HydrophobicContact CG2-CD1 3.72Å; I588-I592 HydrophobicContact CG2-CG1 4.21Å; I588-I592 WeakPolarHBondContact O-CB 3.45Å; I588-I592 WeakPolarHBondContact O-CG1 3.4Å; I588-I592 PolarHBondContact O-N 3.27Å; I588-L668 HydrophobicContact CD1-CB 3.42Å; I588-L668 VanDerWaalsContact CD1-CB 3.42Å; I588-L668 HydrophobicContact CD1-CD1 3.46Å; I588-L668 VanDerWaalsContact CD1-CD1 3.46Å; I588-L668 HydrophobicContact CD1-CG 4.03Å; I588-L668 HydrophobicContact CG1-CB 4.37Å; I588-L668 HydrophobicContact CG1-CD1 3.43Å; I588-L668 VanDerWaalsContact CG1-CD1 3.43Å; I588-L668 HydrophobicContact CG1-CG 4.5Å
589	Q	69.8	Low	63.3	Low	100 Å²	100	72.3 Å²	72.3	47%	0.467	35%	0.351	S	S	.	.	H	α-helix	trans	-55.3	-42.3	173.2	-172	65	11.4	0	0	111.8	S587 I592 E593	S587-Q589 PolarHBondContact O-N 3.26Å; S587-Q589 VanDerWaalsContact O-N 3.12Å; Q589-I592 PolarHBondContact O-N 2.88Å; Q589-E593 HydrophobicContact CG-CG 4.48Å; Q589-E593 VanDerWaalsContact CG-OE1 3.28Å; Q589-E593 WeakPolarHBondContact CG-OE1 3.35Å; Q589-E593 PolarHBondContact NE2-OE1 3.33Å; Q589-E593 WeakPolarHBondContact O-CB 3.08Å; Q589-E593 WeakPolarHBondContact O-CG 3.44Å; Q589-E593 PolarHBondContact O-N 2.76Å
590	S	76.7	Confident	66	Low	29 Å²	29	72.1 Å²	72.1	20%	0.203	34%	0.339	C	S	.	.	H	α-helix	trans	-63.4	-45.2	174	-55.4	0	0	0	0	112.1	Y565 S587 I588 E593 Q594	Y565-S590 VanDerWaalsContact OH-CB 3.3Å; Y565-S590 WeakPolarHBondContact OH-CB 3.49Å; S587-S590 WeakPolarHBondContact O-CA 3.47Å; S587-S590 VanDerWaalsContact O-CB 3.23Å; S587-S590 WeakPolarHBondContact O-CB 3.23Å; S587-S590 PolarHBondContact O-N 3.07Å; S587-S590 PolarHBondContact OG-N 3.39Å; S587-S590 PolarHBondContact OG-OG 3.39Å; I588-S590 VanDerWaalsContact C-N 3.29Å; I588-S590 PolarHBondContact O-N 3.28Å; S590-E593 PolarHBondContact O-N 3.17Å; S590-Q594 WeakPolarHBondContact O-CB 3.34Å; S590-Q594 VanDerWaalsContact O-CG 3.24Å; S590-Q594 WeakPolarHBondContact O-CG 3.27Å; S590-Q594 PolarHBondContact O-N 3.11Å
591	I	79.4	Confident	68.6	Low	2 Å²	2	62.6 Å²	62.6	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-47.5	175.8	-70	178.6	0	0	0	110.5	Y562 Y565 L586 S587 I588 E593 Q594 T595 T661 I683	Y562-I591 VanDerWaalsContact OH-CG2 3.31Å; Y562-I591 WeakPolarHBondContact OH-CG2 3.46Å; Y565-I591 HydrophobicContact CE1-CG1 4.27Å; L586-I591 HydrophobicContact CD1-CD1 3.95Å; L586-I591 HydrophobicContact CD1-CG1 4.19Å; L586-I591 HydrophobicContact CD2-CD1 4.03Å; L586-I591 HydrophobicContact CG-CD1 4.1Å; S587-I591 PolarHBondContact O-N 2.96Å; I588-I591 PolarHBondContact O-N 2.88Å; I588-I591 VanDerWaalsContact O-N 3.16Å; I591-E593 VanDerWaalsContact C-N 3.29Å; I591-E593 PolarHBondContact O-N 3.19Å; I591-Q594 PolarHBondContact O-N 3.46Å; I591-T595 PolarHBondContact O-N 3.18Å; I591-T595 PolarHBondContact O-OG1 3.32Å; I591-T661 HydrophobicContact CG2-CG2 4.47Å; I591-I683 HydrophobicContact CD1-CD1 3.26Å
592	I	79.2	Confident	71.5	Confident	24 Å²	24	56.9 Å²	56.9	12%	0.123	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-39.9	178.9	-69.2	173.2	0	0	0	110.6	I588 Q589 K596 T661 A665	I588-I592 HydrophobicContact CG2-CD1 3.72Å; I588-I592 HydrophobicContact CG2-CG1 4.21Å; I588-I592 WeakPolarHBondContact O-CB 3.45Å; I588-I592 WeakPolarHBondContact O-CG1 3.4Å; I588-I592 PolarHBondContact O-N 3.27Å; Q589-I592 PolarHBondContact O-N 2.88Å; I592-K596 HydrophobicContact CG2-CD 4.24Å; I592-K596 WeakPolarHBondContact O-CB 3.12Å; I592-K596 VanDerWaalsContact O-CG 3.24Å; I592-K596 WeakPolarHBondContact O-CG 3.48Å; I592-K596 PolarHBondContact O-N 3.3Å; I592-T661 HydrophobicContact CG1-CG2 4.27Å; I592-A665 HydrophobicContact CD1-CB 4.39Å
593	E	82	Confident	74	Confident	87 Å²	87	48.3 Å²	48.3	41%	0.407	24%	0.241	S	C	.	.	H	α-helix	trans	-66.2	-44	175.7	-77.8	169.1	-176.1	0	0	111.7	Q589 S590 I591 K596 M597	Q589-E593 HydrophobicContact CG-CG 4.48Å; Q589-E593 VanDerWaalsContact CG-OE1 3.28Å; Q589-E593 WeakPolarHBondContact CG-OE1 3.35Å; Q589-E593 PolarHBondContact NE2-OE1 3.33Å; Q589-E593 WeakPolarHBondContact O-CB 3.08Å; Q589-E593 WeakPolarHBondContact O-CG 3.44Å; Q589-E593 PolarHBondContact O-N 2.76Å; S590-E593 PolarHBondContact O-N 3.17Å; I591-E593 VanDerWaalsContact C-N 3.29Å; I591-E593 PolarHBondContact O-N 3.19Å; E593-K596 WeakPolarHBondContact O-CB 3.48Å; E593-K596 PolarHBondContact O-N 3.13Å; E593-M597 WeakPolarHBondContact O-CG 3.34Å; E593-M597 PolarHBondContact O-N 3.26Å
594	Q	85.2	Confident	76.4	Confident	42 Å²	42	43.5 Å²	43.5	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-45.8	174.5	-68.8	-52.9	-44.1	0	0	111.5	Y562 S590 I591 K596 M597 V598	Y562-Q594 HydrophobicContact CD1-CB 3.86Å; Y562-Q594 HydrophobicContact CD2-CB 3.52Å; Y562-Q594 HydrophobicContact CD2-CG 3.83Å; Y562-Q594 HydrophobicContact CE1-CB 3.9Å; Y562-Q594 HydrophobicContact CE2-CB 3.59Å; Y562-Q594 HydrophobicContact CE2-CG 4.11Å; Y562-Q594 HydrophobicContact CG-CB 3.69Å; Y562-Q594 HydrophobicContact CG-CG 4.28Å; S590-Q594 WeakPolarHBondContact O-CB 3.34Å; S590-Q594 VanDerWaalsContact O-CG 3.24Å; S590-Q594 WeakPolarHBondContact O-CG 3.27Å; S590-Q594 PolarHBondContact O-N 3.11Å; I591-Q594 PolarHBondContact O-N 3.46Å; Q594-K596 VanDerWaalsContact C-N 3.3Å; Q594-K596 PolarHBondContact O-N 2.93Å; Q594-M597 PolarHBondContact O-N 3.44Å; Q594-V598 PolarHBondContact O-N 3Å
595	T	87.1	Confident	78.7	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-41.5	174.5	-60.3	0	0	0	0	111.3	Y562 I591 V598 M599 L657 T661	Y562-T595 PolarHBondContact OH-OG1 3.07Å; I591-T595 PolarHBondContact O-N 3.18Å; I591-T595 PolarHBondContact O-OG1 3.32Å; T595-V598 PolarHBondContact O-N 3.46Å; T595-M599 HydrophobicContact CG2-CG 4.44Å; T595-M599 WeakPolarHBondContact O-CG 3.5Å; T595-M599 PolarHBondContact O-N 3.02Å; T595-L657 HydrophobicContact CG2-CD2 4.4Å; T595-L657 HydrophobicContact CG2-CG 4.21Å; T595-T661 HydrophobicContact CG2-CG2 4.06Å; T595-T661 WeakPolarHBondContact CG2-OG1 3.4Å; T595-T661 PolarHBondContact OG1-OG1 2.88Å
596	K	85.6	Confident	80.9	Confident	80 Å²	80	38.9 Å²	38.9	35%	0.348	19%	0.194	S	C	.	.	H	α-helix	trans	-62	-42.7	175.9	-78.1	171.9	180	176.2	0	112	I592 E593 Q594 V598 M599 E600	I592-K596 HydrophobicContact CG2-CD 4.24Å; I592-K596 WeakPolarHBondContact O-CB 3.12Å; I592-K596 VanDerWaalsContact O-CG 3.24Å; I592-K596 WeakPolarHBondContact O-CG 3.48Å; I592-K596 PolarHBondContact O-N 3.3Å; E593-K596 WeakPolarHBondContact O-CB 3.48Å; E593-K596 PolarHBondContact O-N 3.13Å; Q594-K596 VanDerWaalsContact C-N 3.3Å; Q594-K596 PolarHBondContact O-N 2.93Å; K596-V598 VanDerWaalsContact C-N 3.34Å; K596-V598 PolarHBondContact O-N 3.06Å; K596-M599 WeakPolarHBondContact O-CB 3.49Å; K596-M599 PolarHBondContact O-N 3.45Å; K596-E600 WeakPolarHBondContact O-CB 3.35Å; K596-E600 PolarHBondContact O-N 3.23Å
597	M	86.9	Confident	82.3	Confident	87 Å²	87	42 Å²	42	43%	0.429	21%	0.205	S	C	.	.	H	α-helix	trans	-61.7	-41.2	176.1	-71.7	177.7	61.4	0	0	112.1	I558 E593 Q594 E600 S601	I558-M597 HydrophobicContact CG2-CB 3.99Å; I558-M597 HydrophobicContact CG2-CE 4.46Å; E593-M597 WeakPolarHBondContact O-CG 3.34Å; E593-M597 PolarHBondContact O-N 3.26Å; Q594-M597 PolarHBondContact O-N 3.44Å; M597-E600 PolarHBondContact O-N 2.81Å; M597-S601 WeakPolarHBondContact O-CB 3.49Å; M597-S601 PolarHBondContact O-N 2.78Å; M597-S601 PolarHBondContact O-OG 3.43Å
598	V	88.9	Confident	83.4	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-42.5	173.8	173.9	0	0	0	0	111.2	I558 I559 Y562 Q594 T595 K596 S601 S602 L654 L657 L695 V698	I558-V598 HydrophobicContact CG2-CG2 3.93Å; I559-V598 HydrophobicContact CD1-CG1 4.45Å; I559-V598 HydrophobicContact CG1-CG1 4.04Å; I559-V598 HydrophobicContact CG1-CG2 4.01Å; Y562-V598 HydrophobicContact CD1-CG2 3.92Å; Q594-V598 PolarHBondContact O-N 3Å; T595-V598 PolarHBondContact O-N 3.46Å; K596-V598 VanDerWaalsContact C-N 3.34Å; K596-V598 PolarHBondContact O-N 3.06Å; V598-S601 PolarHBondContact O-OG 3.32Å; V598-S602 VanDerWaalsContact O-CB 3.24Å; V598-S602 WeakPolarHBondContact O-CB 3.48Å; V598-S602 PolarHBondContact O-N 3.23Å; V598-S602 PolarHBondContact O-OG 3.25Å; V598-L654 HydrophobicContact CG1-CD2 4.33Å; V598-L657 HydrophobicContact CB-CD2 4.39Å; V598-L657 HydrophobicContact CG1-CD2 3.81Å; V598-L695 HydrophobicContact CG2-CD2 4.38Å; V598-V698 HydrophobicContact CG1-CG1 4.32Å
599	M	88.1	Confident	84.5	Confident	15 Å²	15	39.7 Å²	39.7	7%	0.074	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-43.5	177	-75	-169.8	69.1	0	0	112.4	I528 T595 K596 S603 V658	I528-M599 HydrophobicContact CD1-CE 3.74Å; I528-M599 HydrophobicContact CG1-CE 3.89Å; T595-M599 HydrophobicContact CG2-CG 4.44Å; T595-M599 WeakPolarHBondContact O-CG 3.5Å; T595-M599 PolarHBondContact O-N 3.02Å; K596-M599 WeakPolarHBondContact O-CB 3.49Å; K596-M599 PolarHBondContact O-N 3.45Å; M599-S603 WeakPolarHBondContact O-CB 3.46Å; M599-S603 PolarHBondContact O-N 2.89Å; M599-V658 HydrophobicContact CE-CG2 3.84Å; M599-V658 HydrophobicContact CG-CG2 4.1Å; M599-V658 HydrophobicContact SD-CG2 3.31Å; M599-V658 WeakPolarHBondContact SD-CG2 3.46Å
600	E	87.2	Confident	85.3	Confident	119 Å²	119	38.2 Å²	38.2	56%	0.556	18%	0.18	S	C	*	.	H	α-helix	trans	-67.1	-46.4	-178.4	-173.3	169.8	-170.1	0	0	111.2	K596 M597 S603 Q604	K596-E600 WeakPolarHBondContact O-CB 3.35Å; K596-E600 PolarHBondContact O-N 3.23Å; M597-E600 PolarHBondContact O-N 2.81Å; E600-S603 WeakPolarHBondContact O-CB 3.42Å; E600-S603 PolarHBondContact O-N 3.15Å; E600-Q604 WeakPolarHBondContact O-CG 3.39Å; E600-Q604 PolarHBondContact O-N 3.5Å
601	S	88.5	Confident	85.5	Confident	11 Å²	11	38.1 Å²	38.1	8%	0.077	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-43.4	176	55.8	0	0	0	0	112.8	S555 I558 M597 V598 S603 Q604 L605	S555-S601 PolarHBondContact OG-O 2.97Å; I558-S601 VanDerWaalsContact CD1-CB 3.48Å; M597-S601 WeakPolarHBondContact O-CB 3.49Å; M597-S601 PolarHBondContact O-N 2.78Å; M597-S601 PolarHBondContact O-OG 3.43Å; V598-S601 PolarHBondContact O-OG 3.32Å; S601-S603 VanDerWaalsContact C-N 3.33Å; S601-S603 PolarHBondContact O-N 2.91Å; S601-Q604 PolarHBondContact O-N 3.47Å; S601-L605 PolarHBondContact O-N 3.27Å
602	S	90.4	Very high	85.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.8	-32.6	177.6	-53.4	0	0	0	0	112.3	V598 L605 I606	V598-S602 VanDerWaalsContact O-CB 3.24Å; V598-S602 WeakPolarHBondContact O-CB 3.48Å; V598-S602 PolarHBondContact O-N 3.23Å; V598-S602 PolarHBondContact O-OG 3.25Å; S602-L605 WeakPolarHBondContact O-CB 3.31Å; S602-L605 PolarHBondContact O-N 3.33Å; S602-I606 WeakPolarHBondContact O-CD1 3.32Å; S602-I606 VanDerWaalsContact O-CG1 3.25Å; S602-I606 WeakPolarHBondContact O-CG1 3.44Å; S602-I606 PolarHBondContact O-N 3.4Å
603	S	86.3	Confident	85.4	Confident	1 Å²	1	37 Å²	37	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-45.5	173	166.4	0	0	0	0	112.2	L531 M599 E600 S601 L605 I606 R607	L531-S603 WeakPolarHBondContact CD1-OG 3.44Å; L531-S603 WeakPolarHBondContact CD2-OG 3.33Å; M599-S603 WeakPolarHBondContact O-CB 3.46Å; M599-S603 PolarHBondContact O-N 2.89Å; E600-S603 WeakPolarHBondContact O-CB 3.42Å; E600-S603 PolarHBondContact O-N 3.15Å; S601-S603 VanDerWaalsContact C-N 3.33Å; S601-S603 PolarHBondContact O-N 2.91Å; S603-L605 VanDerWaalsContact C-N 3.3Å; S603-L605 PolarHBondContact O-N 3.46Å; S603-I606 PolarHBondContact O-N 3.33Å; S603-R607 WeakPolarHBondContact O-CG 3.12Å; S603-R607 PolarHBondContact O-N 3.12Å
604	Q	85.4	Confident	85.2	Confident	80 Å²	80	35.8 Å²	35.8	37%	0.374	17%	0.17	S	C	.	.	H	α-helix	trans	-62.4	-40.3	174.4	-64.6	-60.7	-20.8	0	0	111.3	F551 E600 S601 R607 Y608	F551-Q604 HydrophobicContact CE1-CB 4.5Å; E600-Q604 WeakPolarHBondContact O-CG 3.39Å; E600-Q604 PolarHBondContact O-N 3.5Å; S601-Q604 PolarHBondContact O-N 3.47Å; Q604-R607 PolarHBondContact O-N 3.22Å; Q604-Y608 WeakPolarHBondContact O-CB 3.38Å; Q604-Y608 PolarHBondContact O-N 2.87Å
605	L	86.8	Confident	84.6	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.1	-51.6	174.3	177.9	63.1	0	0	0	111.3	L548 F551 C552 S601 S602 S603 R607 Y608 T609 L650 I702	L548-L605 HydrophobicContact CD1-CD1 3.46Å; L548-L605 VanDerWaalsContact CD1-CD1 3.46Å; F551-L605 HydrophobicContact CB-CD1 3.95Å; C552-L605 VanDerWaalsContact SG-CD1 3.56Å; S601-L605 PolarHBondContact O-N 3.27Å; S602-L605 WeakPolarHBondContact O-CB 3.31Å; S602-L605 PolarHBondContact O-N 3.33Å; S603-L605 VanDerWaalsContact C-N 3.3Å; S603-L605 PolarHBondContact O-N 3.46Å; L605-R607 VanDerWaalsContact C-N 3.35Å; L605-R607 PolarHBondContact O-N 2.97Å; L605-Y608 PolarHBondContact O-N 3.14Å; L605-T609 WeakPolarHBondContact O-CB 3.33Å; L605-T609 PolarHBondContact O-N 2.96Å; L605-T609 PolarHBondContact O-OG1 3.35Å; L605-L650 HydrophobicContact CD2-CD2 4.09Å; L605-I702 HydrophobicContact CD2-CB 4.37Å; L605-I702 HydrophobicContact CD2-CD1 4.15Å; L605-I702 HydrophobicContact CD2-CG1 3.79Å; L605-I702 HydrophobicContact CD2-CG2 3.88Å
606	I	87.5	Confident	83.8	Confident	18 Å²	18	36.2 Å²	36.2	9%	0.092	17%	0.172	C	C	.	.	H	α-helix	trans	-57.1	-47.3	179	-71	161.3	0	0	0	111	S602 S603 Y608 T609 M610 I647 L650 L654	S602-I606 WeakPolarHBondContact O-CD1 3.32Å; S602-I606 VanDerWaalsContact O-CG1 3.25Å; S602-I606 WeakPolarHBondContact O-CG1 3.44Å; S602-I606 PolarHBondContact O-N 3.4Å; S603-I606 PolarHBondContact O-N 3.33Å; I606-Y608 PolarHBondContact O-N 3Å; I606-T609 PolarHBondContact O-N 3.37Å; I606-M610 VanDerWaalsContact O-CB 3.26Å; I606-M610 WeakPolarHBondContact O-CB 3.45Å; I606-M610 PolarHBondContact O-N 2.95Å; I606-I647 HydrophobicContact CG1-CG2 4.43Å; I606-I647 HydrophobicContact CG2-CG2 3.94Å; I606-L650 HydrophobicContact CD1-CD2 4.11Å; I606-L650 HydrophobicContact CD1-CG 4.3Å; I606-L650 HydrophobicContact CG1-CD2 3.75Å; I606-L650 HydrophobicContact CG1-CG 4.41Å; I606-L654 HydrophobicContact CD1-CD1 3.84Å
607	R	85.9	Confident	83.2	Confident	87 Å²	87	36.2 Å²	36.2	33%	0.328	17%	0.172	S	C	.	.	H	α-helix	trans	-60	-45.2	178.6	-77.4	177.8	168.1	167.5	-2	112.3	L531 S603 Q604 L605 M610 S611	L531-R607 HydrophobicContact CD2-CG 4.47Å; L531-R607 VanDerWaalsContact CD2-NE 3.3Å; L531-R607 VanDerWaalsContact CD2-NH2 3.34Å; S603-R607 WeakPolarHBondContact O-CG 3.12Å; S603-R607 PolarHBondContact O-N 3.12Å; Q604-R607 PolarHBondContact O-N 3.22Å; L605-R607 VanDerWaalsContact C-N 3.35Å; L605-R607 PolarHBondContact O-N 2.97Å; R607-M610 PolarHBondContact O-N 2.86Å; R607-S611 WeakPolarHBondContact O-CB 3.25Å; R607-S611 PolarHBondContact O-N 3.47Å
608	Y	84	Confident	81.9	Confident	48 Å²	48	35.1 Å²	35.1	19%	0.188	17%	0.171	C	C	.	.	H	α-helix	trans	-69.3	-42	-179.3	-166.7	-104.3	0	0	0	111.8	S544 K547 L548 F551 Q604 L605 I606 S611 I612	S544-Y608 PolarHBondContact O-OH 3.4Å; S544-Y608 PolarHBondContact OG-OH 2.88Å; K547-Y608 HydrophobicContact CB-CE1 3.78Å; K547-Y608 HydrophobicContact CB-CE2 4.4Å; K547-Y608 WeakPolarHBondContact CB-OH 3.43Å; K547-Y608 HydrophobicContact CD-CE2 4.49Å; L548-Y608 HydrophobicContact CB-CD1 3.78Å; L548-Y608 HydrophobicContact CB-CE1 3.68Å; L548-Y608 HydrophobicContact CD1-CD1 3.9Å; L548-Y608 HydrophobicContact CG-CD1 4.39Å; L548-Y608 VanDerWaalsContact N-CE1 3.33Å; F551-Y608 AromaticContact CD2-CD1 3.71Å; F551-Y608 HydrophobicContact CD2-CD1 3.71Å; F551-Y608 HydrophobicContact CD2-CD2 4.4Å; F551-Y608 HydrophobicContact CD2-CE1 4.3Å; F551-Y608 AromaticContact CD2-CG 3.78Å; F551-Y608 HydrophobicContact CD2-CG 3.78Å; F551-Y608 AromaticContact CE2-CD1 3.99Å; F551-Y608 HydrophobicContact CE2-CD1 3.99Å; F551-Y608 AromaticContact CE2-CD2 3.87Å; F551-Y608 HydrophobicContact CE2-CD2 3.87Å; F551-Y608 HydrophobicContact CE2-CE1 4.42Å; F551-Y608 HydrophobicContact CE2-CE2 4.33Å; F551-Y608 AromaticContact CE2-CG 3.7Å; F551-Y608 HydrophobicContact CE2-CG 3.7Å; Q604-Y608 WeakPolarHBondContact O-CB 3.38Å; Q604-Y608 PolarHBondContact O-N 2.87Å; L605-Y608 PolarHBondContact O-N 3.14Å; I606-Y608 PolarHBondContact O-N 3Å; Y608-S611 WeakPolarHBondContact O-CB 3.34Å; Y608-S611 PolarHBondContact O-N 3.2Å; Y608-I612 HydrophobicContact CD1-CD1 3.81Å; Y608-I612 HydrophobicContact CE1-CD1 3.44Å; Y608-I612 VanDerWaalsContact CE1-CD1 3.44Å; Y608-I612 HydrophobicContact CE1-CG1 4.27Å; Y608-I612 PolarHBondContact O-N 2.86Å
609	T	84.3	Confident	80.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-44.8	175	-50.3	0	0	0	0	111	L548 L605 I606 S611 I612 C613 L643 I647	L548-T609 WeakPolarHBondContact CD1-OG1 3.43Å; L548-T609 HydrophobicContact CD2-CG2 4.42Å; L605-T609 WeakPolarHBondContact O-CB 3.33Å; L605-T609 PolarHBondContact O-N 2.96Å; L605-T609 PolarHBondContact O-OG1 3.35Å; I606-T609 PolarHBondContact O-N 3.37Å; T609-S611 VanDerWaalsContact C-N 3.31Å; T609-S611 PolarHBondContact O-N 3.27Å; T609-I612 WeakPolarHBondContact O-CB 3.44Å; T609-I612 PolarHBondContact O-N 3.26Å; T609-I612 VanDerWaalsContact O-N 3.08Å; T609-C613 PolarHBondContact O-N 3.34Å; T609-C613 PolarHBondContact O-SG 3.49Å; T609-C613 VanDerWaalsContact O-SG 3.34Å; T609-L643 HydrophobicContact CG2-CD1 3.38Å; T609-L643 HydrophobicContact CG2-CD2 3.6Å; T609-L643 HydrophobicContact CG2-CG 3.43Å; T609-L643 VanDerWaalsContact CG2-CG 3.43Å; T609-I647 HydrophobicContact CG2-CD1 3.62Å; T609-I647 HydrophobicContact CG2-CG1 3.91Å
610	M	84.9	Confident	78.6	Confident	70 Å²	70	39.3 Å²	39.3	35%	0.345	20%	0.195	S	C	.	.	H	α-helix	trans	-64.7	-35.6	176.9	-165.8	64.2	-174.6	0	0	112	I606 R607 I612 C613 N614 I647	I606-M610 VanDerWaalsContact O-CB 3.26Å; I606-M610 WeakPolarHBondContact O-CB 3.45Å; I606-M610 PolarHBondContact O-N 2.95Å; R607-M610 PolarHBondContact O-N 2.86Å; M610-I612 VanDerWaalsContact C-N 3.32Å; M610-I612 PolarHBondContact O-N 3.41Å; M610-C613 PolarHBondContact O-N 3.35Å; M610-C613 HydrophobicContact SD-CB 4.37Å; M610-N614 WeakPolarHBondContact O-CB 3.48Å; M610-N614 VanDerWaalsContact O-CG 3.26Å; M610-N614 PolarHBondContact O-N 3.39Å; M610-N614 PolarHBondContact O-ND2 2.9Å; M610-I647 HydrophobicContact SD-CD1 4.41Å
611	S	81.5	Confident	76.8	Confident	27 Å²	27	36.9 Å²	36.9	19%	0.189	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-40.7	171.3	-173.5	0	0	0	0	111.8	R607 Y608 T609 N614 Q615	R607-S611 WeakPolarHBondContact O-CB 3.25Å; R607-S611 PolarHBondContact O-N 3.47Å; Y608-S611 WeakPolarHBondContact O-CB 3.34Å; Y608-S611 PolarHBondContact O-N 3.2Å; T609-S611 VanDerWaalsContact C-N 3.31Å; T609-S611 PolarHBondContact O-N 3.27Å; S611-N614 PolarHBondContact O-N 2.63Å; S611-Q615 WeakPolarHBondContact O-CG 3.49Å; S611-Q615 PolarHBondContact O-N 2.96Å
612	I	77.6	Confident	74.9	Confident	2 Å²	2	41 Å²	41	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-67.4	-45.3	175	-70.4	165.3	0	0	0	110.6	L543 F545 L548 Y608 T609 M610 N614 Q615 L616	L543-I612 HydrophobicContact CD2-CG2 3.96Å; F545-I612 HydrophobicContact CE1-CG2 4.34Å; L548-I612 HydrophobicContact CB-CD1 3.8Å; L548-I612 HydrophobicContact CD2-CD1 3.61Å; L548-I612 HydrophobicContact CG-CD1 4.21Å; Y608-I612 HydrophobicContact CD1-CD1 3.81Å; Y608-I612 HydrophobicContact CE1-CD1 3.44Å; Y608-I612 VanDerWaalsContact CE1-CD1 3.44Å; Y608-I612 HydrophobicContact CE1-CG1 4.27Å; Y608-I612 PolarHBondContact O-N 2.86Å; T609-I612 WeakPolarHBondContact O-CB 3.44Å; T609-I612 PolarHBondContact O-N 3.26Å; T609-I612 VanDerWaalsContact O-N 3.08Å; M610-I612 VanDerWaalsContact C-N 3.32Å; M610-I612 PolarHBondContact O-N 3.41Å; I612-N614 VanDerWaalsContact C-N 3.27Å; I612-N614 PolarHBondContact O-N 2.7Å; I612-Q615 PolarHBondContact O-N 2.84Å; I612-Q615 VanDerWaalsContact O-N 3.08Å; I612-L616 HydrophobicContact CG2-CD1 3.8Å; I612-L616 HydrophobicContact CG2-CG 4.27Å; I612-L616 WeakPolarHBondContact O-CG 3.21Å; I612-L616 PolarHBondContact O-N 3.32Å
613	C	79.6	Confident	72.7	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-54.7	-45.1	174.9	-67.4	0	0	0	0	111.5	T609 M610 Q615 L616 K617 L640 L643	T609-C613 PolarHBondContact O-N 3.34Å; T609-C613 PolarHBondContact O-SG 3.49Å; T609-C613 VanDerWaalsContact O-SG 3.34Å; M610-C613 PolarHBondContact O-N 3.35Å; M610-C613 HydrophobicContact SD-CB 4.37Å; C613-Q615 VanDerWaalsContact C-N 3.33Å; C613-Q615 PolarHBondContact O-N 3.02Å; C613-L616 PolarHBondContact O-N 2.83Å; C613-K617 WeakPolarHBondContact O-CG 3.42Å; C613-K617 PolarHBondContact O-N 3.05Å; C613-L640 HydrophobicContact CB-CD1 3.55Å; C613-L643 WeakPolarHBondContact SG-CD2 3.41Å
614	N	76.8	Confident	70.8	Confident	62 Å²	62	51.6 Å²	51.6	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-69.4	-27.4	179	-71.4	-20.2	0	0	0	113.4	M610 S611 I612 P618	M610-N614 WeakPolarHBondContact O-CB 3.48Å; M610-N614 VanDerWaalsContact O-CG 3.26Å; M610-N614 PolarHBondContact O-N 3.39Å; M610-N614 PolarHBondContact O-ND2 2.9Å; S611-N614 PolarHBondContact O-N 2.63Å; I612-N614 VanDerWaalsContact C-N 3.27Å; I612-N614 PolarHBondContact O-N 2.7Å; N614-P618 WeakPolarHBondContact O-CD 3.27Å
615	Q	72.7	Confident	69.1	Low	47 Å²	47	54.4 Å²	54.4	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-78	-29.2	171.5	-73.5	-179.6	-6.4	0	0	112.7	I538 I539 S611 I612 C613 P618	I538-Q615 PolarHBondContact O-NE2 3.23Å; I539-Q615 PolarHBondContact O-NE2 3.49Å; S611-Q615 WeakPolarHBondContact O-CG 3.49Å; S611-Q615 PolarHBondContact O-N 2.96Å; I612-Q615 PolarHBondContact O-N 2.84Å; I612-Q615 VanDerWaalsContact O-N 3.08Å; C613-Q615 VanDerWaalsContact C-N 3.33Å; C613-Q615 PolarHBondContact O-N 3.02Å; Q615-P618 WeakPolarHBondContact O-CD 3.48Å
616	L	70.8	Confident	66.9	Low	7 Å²	7	59.8 Å²	59.8	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-77.8	-29	176.1	-73.8	172.9	0	0	0	113	L543 I612 C613 L619 S620 Y636 L640	L543-L616 HydrophobicContact CD1-CD2 4.37Å; L543-L616 HydrophobicContact CD2-CD1 4.29Å; L543-L616 HydrophobicContact CD2-CD2 3.73Å; L543-L616 HydrophobicContact CD2-CG 4.04Å; I612-L616 HydrophobicContact CG2-CD1 3.8Å; I612-L616 HydrophobicContact CG2-CG 4.27Å; I612-L616 WeakPolarHBondContact O-CG 3.21Å; I612-L616 PolarHBondContact O-N 3.32Å; C613-L616 PolarHBondContact O-N 2.83Å; L616-L619 WeakPolarHBondContact O-CB 3.46Å; L616-L619 PolarHBondContact O-N 3.4Å; L616-L619 VanDerWaalsContact O-N 3.15Å; L616-S620 PolarHBondContact O-N 3.44Å; L616-Y636 HydrophobicContact CD2-CD1 4.29Å; L616-L640 HydrophobicContact CB-CD1 4.5Å
617	K	72.5	Confident	64.7	Low	80 Å²	80	65.3 Å²	65.3	35%	0.348	34%	0.34	S	S	.	.	H	α-helix	trans	-53.8	-49.9	177.3	-83.5	172.3	-174.3	170.1	0	113.3	C613 L619 S620 S621 L640 E644	C613-K617 WeakPolarHBondContact O-CG 3.42Å; C613-K617 PolarHBondContact O-N 3.05Å; K617-L619 PolarHBondContact O-N 2.86Å; K617-S620 PolarHBondContact O-N 2.92Å; K617-S621 PolarHBondContact O-N 3.46Å; K617-S621 VanDerWaalsContact O-N 3.12Å; K617-L640 HydrophobicContact CG-CD1 4.46Å; K617-L640 HydrophobicContact CG-CD2 3.73Å; K617-E644 WeakPolarHBondContact CE-OE1 3.35Å; K617-E644 IonicContact NZ-OE1 3.07Å; K617-E644 PolarHBondContact NZ-OE1 3.38Å
618	P	59.5	Low	62.9	Low	64 Å²	64	69.6 Å²	69.6	42%	0.416	36%	0.363	S	S	.	.	H	α-helix	trans	-58.7	-43.5	173.9	-24.3	30.9	0	0	0	112.9	N614 Q615 S620 S621 V622	N614-P618 WeakPolarHBondContact O-CD 3.27Å; Q615-P618 WeakPolarHBondContact O-CD 3.48Å; P618-S620 VanDerWaalsContact C-N 3.31Å; P618-S620 PolarHBondContact O-N 3.22Å; P618-S621 WeakPolarHBondContact CA-OG 3.43Å; P618-S621 PolarHBondContact O-N 3.37Å; P618-S621 PolarHBondContact O-OG 3.3Å; P618-V622 WeakPolarHBondContact O-CB 3.33Å; P618-V622 VanDerWaalsContact O-CG2 3.27Å; P618-V622 WeakPolarHBondContact O-CG2 3.38Å; P618-V622 PolarHBondContact O-N 3.45Å
619	L	56.3	Low	61	Low	78 Å²	78	70.9 Å²	70.9	41%	0.408	37%	0.373	S	S	.	.	H	α-helix	trans	-59.6	-42.3	178.8	-108.7	76	0	0	0	111.6	L616 K617 S621 V622 Y623	L616-L619 WeakPolarHBondContact O-CB 3.46Å; L616-L619 PolarHBondContact O-N 3.4Å; L616-L619 VanDerWaalsContact O-N 3.15Å; K617-L619 PolarHBondContact O-N 2.86Å; L619-S621 VanDerWaalsContact C-N 3.31Å; L619-S621 PolarHBondContact O-N 3.43Å; L619-V622 PolarHBondContact O-N 3.02Å; L619-Y623 WeakPolarHBondContact O-CD2 3.41Å; L619-Y623 PolarHBondContact O-N 3.49Å
620	S	51.9	Low	59.2	Low	24 Å²	24	77.9 Å²	77.9	17%	0.168	41%	0.405	C	S	.	.	H	α-helix	trans	-61.6	-37.6	174.2	173.4	0	0	0	0	112.4	L616 K617 P618 T637	L616-S620 PolarHBondContact O-N 3.44Å; K617-S620 PolarHBondContact O-N 2.92Å; P618-S620 VanDerWaalsContact C-N 3.31Å; P618-S620 PolarHBondContact O-N 3.22Å; S620-T637 PolarHBondContact OG-OG1 2.87Å; S620-T637 VanDerWaalsContact OG-OG1 3.12Å
621	S	50.7	Low	57.6	Low	69 Å²	69	78.2 Å²	78.2	48%	0.483	42%	0.415	S	S	.	.	H	α-helix	trans	-77.6	-35.8	178.3	69.8	0	0	0	0	114.4	K617 P618 L619 N624	K617-S621 PolarHBondContact O-N 3.46Å; K617-S621 VanDerWaalsContact O-N 3.12Å; P618-S621 WeakPolarHBondContact CA-OG 3.43Å; P618-S621 PolarHBondContact O-N 3.37Å; P618-S621 PolarHBondContact O-OG 3.3Å; L619-S621 VanDerWaalsContact C-N 3.31Å; L619-S621 PolarHBondContact O-N 3.43Å; S621-N624 PolarHBondContact O-N 2.88Å
622	V	48.6	Very low	56.1	Low	96 Å²	96	80.3 Å²	80.3	58%	0.582	42%	0.424	S	S	*	.	H	α-helix	trans	-76.9	-33.6	-175.6	172.7	0	0	0	0	111.2	P618 L619 N624 I625	P618-V622 WeakPolarHBondContact O-CB 3.33Å; P618-V622 VanDerWaalsContact O-CG2 3.27Å; P618-V622 WeakPolarHBondContact O-CG2 3.38Å; P618-V622 PolarHBondContact O-N 3.45Å; L619-V622 PolarHBondContact O-N 3.02Å; V622-N624 PolarHBondContact O-N 3.31Å; V622-I625 PolarHBondContact O-N 2.87Å
623	Y	43	Very low	55	Low	107 Å²	107	80.7 Å²	80.7	42%	0.42	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.2	176.2	-93.8	-84.5	0	0	0	114.5	L619 I625 N629 T633	L619-Y623 WeakPolarHBondContact O-CD2 3.41Å; L619-Y623 PolarHBondContact O-N 3.49Å; Y623-I625 PolarHBondContact O-N 3.4Å; Y623-N629 HydrophobicContact CE1-CB 4.37Å; Y623-T633 WeakPolarHBondContact CB-OG1 3.41Å
624	N	46.7	Very low	54	Low	117 Å²	117	87 Å²	87	63%	0.626	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.1	173.6	-80.4	-16	0	0	0	113.7	S621 V622	S621-N624 PolarHBondContact O-N 2.88Å; V622-N624 PolarHBondContact O-N 3.31Å
625	I	48.5	Very low	53.3	Low	140 Å²	140	86.9 Å²	86.9	72%	0.718	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-26.5	-172.8	-56.7	178.1	0	0	0	113.4	V622 Y623	V622-I625 PolarHBondContact O-N 2.87Å; Y623-I625 PolarHBondContact O-N 3.4Å
626	N	42.5	Very low	53	Low	112 Å²	112	87.8 Å²	87.8	60%	0.599	46%	0.463	S	S	*	.	S	Bend	trans	-126.6	111.4	-173.1	-64.8	-11.2	0	0	0	112.9
627	D	41.5	Very low	53	Low	134 Å²	134	89.3 Å²	89.3	72%	0.717	47%	0.472	S	S	*	.	S	Bend	trans	46.7	120.3	147.8	-63	-31	0	0	0	121.1	N629	D627-N629 PolarHBondContact O-N 3.3Å
628	H	46.7	Very low	53.2	Low	178 Å²	178	87.6 Å²	87.6	82%	0.824	47%	0.471	S	S	*	.	S	Bend	trans	60.8	-6.9	151	-65	-50	0	0	0	122.4
629	N	43.5	Very low	54	Low	74 Å²	74	85.4 Å²	85.4	40%	0.396	46%	0.455	S	S	.	.			trans	-104.3	43.1	176.7	-70.2	7.1	0	0	0	113.9	Y623 D627 S631 D632 T633	Y623-N629 HydrophobicContact CE1-CB 4.37Å; D627-N629 PolarHBondContact O-N 3.3Å; N629-S631 PolarHBondContact O-N 3.49Å; N629-D632 PolarHBondContact O-N 3.27Å; N629-D632 VanDerWaalsContact O-N 3.17Å; N629-T633 PolarHBondContact O-N 2.94Å; N629-T633 PolarHBondContact O-OG1 2.84Å
630	H	47.1	Very low	55.2	Low	147 Å²	147	82.4 Å²	82.4	68%	0.681	44%	0.44	S	S	*	.	H	α-helix	trans	-56.3	-32.3	178.7	-92.7	-50.6	0	0	0	113.4	L634	H630-L634 PolarHBondContact O-N 3.44Å
631	S	51.5	Low	56.6	Low	78 Å²	78	89 Å²	89	55%	0.545	46%	0.461	S	S	.	.	H	α-helix	trans	-60.1	-46.9	177.1	56.2	0	0	0	0	111.9	N629 L634 T635	N629-S631 PolarHBondContact O-N 3.49Å; S631-L634 PolarHBondContact O-N 3.49Å; S631-T635 VanDerWaalsContact O-CG2 3.25Å; S631-T635 WeakPolarHBondContact O-CG2 3.19Å; S631-T635 PolarHBondContact O-N 3.43Å; S631-T635 VanDerWaalsContact O-N 3.11Å; S631-T635 PolarHBondContact O-OG1 2.96Å
632	D	50.1	Low	58.2	Low	70 Å²	70	91.2 Å²	91.2	37%	0.374	46%	0.462	S	S	.	.	H	α-helix	trans	-70.5	-41.6	-174.3	-63.9	-10.7	0	0	0	110.1	N629 L634 T635 Y636	N629-D632 PolarHBondContact O-N 3.27Å; N629-D632 VanDerWaalsContact O-N 3.17Å; D632-L634 PolarHBondContact O-N 2.85Å; D632-T635 WeakPolarHBondContact CA-OG1 3.42Å; D632-T635 PolarHBondContact O-N 3.33Å; D632-T635 VanDerWaalsContact O-N 3.13Å; D632-T635 PolarHBondContact O-OG1 3.14Å; D632-Y636 HydrophobicContact CB-CD2 4.37Å; D632-Y636 HydrophobicContact CB-CE2 4.15Å; D632-Y636 WeakPolarHBondContact O-CD2 3.45Å; D632-Y636 PolarHBondContact O-N 3.39Å
633	T	55.1	Low	59.9	Low	10 Å²	10	86.9 Å²	86.9	6%	0.061	44%	0.435	C	S	.	.	H	α-helix	trans	-60.7	-42.4	178.4	-49.6	0	0	0	0	112.4	Y623 N629 T637	Y623-T633 WeakPolarHBondContact CB-OG1 3.41Å; N629-T633 PolarHBondContact O-N 2.94Å; N629-T633 PolarHBondContact O-OG1 2.84Å; T633-T637 WeakPolarHBondContact O-CB 3.41Å; T633-T637 PolarHBondContact O-N 2.85Å; T633-T637 PolarHBondContact O-OG1 3.43Å
634	L	57.2	Low	61.9	Low	133 Å²	133	84.4 Å²	84.4	70%	0.696	43%	0.428	S	S	*	.	H	α-helix	trans	-65.4	-40.6	176.3	-131.7	89.9	0	0	0	111.2	H630 S631 D632 T637 S638	H630-L634 PolarHBondContact O-N 3.44Å; S631-L634 PolarHBondContact O-N 3.49Å; D632-L634 PolarHBondContact O-N 2.85Å; L634-T637 PolarHBondContact O-N 3.34Å; L634-S638 WeakPolarHBondContact O-CB 3.43Å; L634-S638 PolarHBondContact O-N 2.97Å
635	T	62.9	Low	63.8	Low	60 Å²	60	85.3 Å²	85.3	37%	0.368	42%	0.423	S	S	.	.	H	α-helix	trans	-67.2	-41.6	178.9	64.4	0	0	0	0	112.2	S631 D632 S638 L639	S631-T635 VanDerWaalsContact O-CG2 3.25Å; S631-T635 WeakPolarHBondContact O-CG2 3.19Å; S631-T635 PolarHBondContact O-N 3.43Å; S631-T635 VanDerWaalsContact O-N 3.11Å; S631-T635 PolarHBondContact O-OG1 2.96Å; D632-T635 WeakPolarHBondContact CA-OG1 3.42Å; D632-T635 PolarHBondContact O-N 3.33Å; D632-T635 VanDerWaalsContact O-N 3.13Å; D632-T635 PolarHBondContact O-OG1 3.14Å; T635-S638 PolarHBondContact O-N 3.42Å; T635-L639 WeakPolarHBondContact O-CB 3.41Å; T635-L639 PolarHBondContact O-N 3.47Å
636	Y	67.5	Low	65.7	Low	66 Å²	66	79.9 Å²	79.9	26%	0.259	40%	0.395	S	S	.	.	H	α-helix	trans	-64.8	-41.5	175.4	-76.2	-59.8	0	0	0	112.3	L616 D632 S638 L639 L640	L616-Y636 HydrophobicContact CD2-CD1 4.29Å; D632-Y636 HydrophobicContact CB-CD2 4.37Å; D632-Y636 HydrophobicContact CB-CE2 4.15Å; D632-Y636 WeakPolarHBondContact O-CD2 3.45Å; D632-Y636 PolarHBondContact O-N 3.39Å; Y636-S638 VanDerWaalsContact C-N 3.34Å; Y636-L639 PolarHBondContact O-N 2.91Å; Y636-L640 WeakPolarHBondContact O-CB 3.4Å; Y636-L640 PolarHBondContact O-N 3.3Å
637	T	70.7	Confident	67.8	Low	38 Å²	38	75.1 Å²	75.1	23%	0.233	37%	0.369	C	S	.	.	H	α-helix	trans	-66.9	-38	178.1	-53.1	0	0	0	0	111.4	S620 T633 L634 R641	S620-T637 PolarHBondContact OG-OG1 2.87Å; S620-T637 VanDerWaalsContact OG-OG1 3.12Å; T633-T637 WeakPolarHBondContact O-CB 3.41Å; T633-T637 PolarHBondContact O-N 2.85Å; T633-T637 PolarHBondContact O-OG1 3.43Å; L634-T637 PolarHBondContact O-N 3.34Å; T637-R641 PolarHBondContact O-N 3.2Å; T637-R641 VanDerWaalsContact O-N 3.13Å
638	S	75.6	Confident	70	Confident	45 Å²	45	73.5 Å²	73.5	32%	0.315	36%	0.361	S	S	.	.	H	α-helix	trans	-65.9	-43.2	173.4	-174.9	0	0	0	0	111.8	L634 T635 Y636 R641 K642	L634-S638 WeakPolarHBondContact O-CB 3.43Å; L634-S638 PolarHBondContact O-N 2.97Å; T635-S638 PolarHBondContact O-N 3.42Å; Y636-S638 VanDerWaalsContact C-N 3.34Å; S638-R641 PolarHBondContact O-N 3.34Å; S638-K642 WeakPolarHBondContact O-CB 3.44Å; S638-K642 WeakPolarHBondContact O-CG 3.39Å; S638-K642 PolarHBondContact O-N 3.01Å
639	L	76.4	Confident	72	Confident	17 Å²	17	69.5 Å²	69.5	9%	0.089	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-46	175.6	-178.6	72.5	0	0	0	111.5	T635 Y636 R641 K642 L643 L708 E712	T635-L639 WeakPolarHBondContact O-CB 3.41Å; T635-L639 PolarHBondContact O-N 3.47Å; Y636-L639 PolarHBondContact O-N 2.91Å; L639-R641 PolarHBondContact O-N 3.29Å; L639-K642 PolarHBondContact O-N 3.23Å; L639-L643 WeakPolarHBondContact O-CB 3.27Å; L639-L643 PolarHBondContact O-N 2.91Å; L639-L708 HydrophobicContact CD1-CD2 4.44Å; L639-E712 HydrophobicContact CD1-CG 4.1Å; L639-E712 HydrophobicContact CD2-CG 3.67Å
640	L	81.4	Confident	74.2	Confident	15 Å²	15	66 Å²	66	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-57.3	-49.8	177.9	179.1	66.1	0	0	0	111	C613 L616 K617 Y636 K642 L643 E644	C613-L640 HydrophobicContact CB-CD1 3.55Å; L616-L640 HydrophobicContact CB-CD1 4.5Å; K617-L640 HydrophobicContact CG-CD1 4.46Å; K617-L640 HydrophobicContact CG-CD2 3.73Å; Y636-L640 WeakPolarHBondContact O-CB 3.4Å; Y636-L640 PolarHBondContact O-N 3.3Å; L640-K642 PolarHBondContact O-N 2.89Å; L640-L643 PolarHBondContact O-N 2.91Å; L640-E644 HydrophobicContact CD1-CG 4.43Å; L640-E644 WeakPolarHBondContact O-CG 3.25Å; L640-E644 PolarHBondContact O-N 2.99Å
641	R	81.3	Confident	76.2	Confident	164 Å²	164	60.3 Å²	60.3	62%	0.619	30%	0.299	S	S	*	.	H	α-helix	trans	-61.4	-42.3	177.1	-82.9	-172.3	-81.8	153.9	-10.7	112.6	T637 S638 L639 L643 Y645	T637-R641 PolarHBondContact O-N 3.2Å; T637-R641 VanDerWaalsContact O-N 3.13Å; S638-R641 PolarHBondContact O-N 3.34Å; L639-R641 PolarHBondContact O-N 3.29Å; R641-L643 VanDerWaalsContact C-N 3.32Å; R641-L643 PolarHBondContact O-N 3.42Å; R641-Y645 WeakPolarHBondContact O-CB 3.48Å; R641-Y645 PolarHBondContact O-N 3.27Å
642	K	84.5	Confident	77.9	Confident	114 Å²	114	61.7 Å²	61.7	50%	0.496	30%	0.297	S	S	.	.	H	α-helix	trans	-61.8	-41.6	175.2	-75.1	177.1	-177.3	-178.4	0	111.3	S638 L639 L640 M646 L708	S638-K642 WeakPolarHBondContact O-CB 3.44Å; S638-K642 WeakPolarHBondContact O-CG 3.39Å; S638-K642 PolarHBondContact O-N 3.01Å; L639-K642 PolarHBondContact O-N 3.23Å; L640-K642 PolarHBondContact O-N 2.89Å; K642-M646 WeakPolarHBondContact O-CB 3.47Å; K642-M646 VanDerWaalsContact O-CG 3.24Å; K642-M646 WeakPolarHBondContact O-CG 3.43Å; K642-M646 PolarHBondContact O-N 3.03Å; K642-L708 HydrophobicContact CB-CD1 4.28Å; K642-L708 HydrophobicContact CD-CD2 4.44Å
643	L	83.3	Confident	79.7	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-68.7	-44.3	-178.8	-167.8	58.4	0	0	0	111.8	T609 C613 L639 L640 R641 M646 I647 I705	T609-L643 HydrophobicContact CG2-CD1 3.38Å; T609-L643 HydrophobicContact CG2-CD2 3.6Å; T609-L643 HydrophobicContact CG2-CG 3.43Å; T609-L643 VanDerWaalsContact CG2-CG 3.43Å; C613-L643 WeakPolarHBondContact SG-CD2 3.41Å; L639-L643 WeakPolarHBondContact O-CB 3.27Å; L639-L643 PolarHBondContact O-N 2.91Å; L640-L643 PolarHBondContact O-N 2.91Å; R641-L643 VanDerWaalsContact C-N 3.32Å; R641-L643 PolarHBondContact O-N 3.42Å; L643-M646 PolarHBondContact O-N 2.63Å; L643-I647 WeakPolarHBondContact O-CG1 3.43Å; L643-I647 PolarHBondContact O-N 2.91Å; L643-I705 HydrophobicContact CD1-CG2 4.15Å
644	E	85.5	Confident	81.3	Confident	55 Å²	55	59.1 Å²	59.1	26%	0.257	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-47.9	174.1	-72.2	-179.4	153.8	0	0	111.2	K617 L640 M646 I647 D648	K617-E644 WeakPolarHBondContact CE-OE1 3.35Å; K617-E644 IonicContact NZ-OE1 3.07Å; K617-E644 PolarHBondContact NZ-OE1 3.38Å; L640-E644 HydrophobicContact CD1-CG 4.43Å; L640-E644 WeakPolarHBondContact O-CG 3.25Å; L640-E644 PolarHBondContact O-N 2.99Å; E644-M646 VanDerWaalsContact C-N 3.29Å; E644-M646 PolarHBondContact O-N 3.37Å; E644-I647 WeakPolarHBondContact O-CB 3.5Å; E644-I647 PolarHBondContact O-N 3.3Å; E644-I647 VanDerWaalsContact O-N 3.12Å; E644-D648 PolarHBondContact O-N 2.94Å
645	Y	87.4	Confident	82.7	Confident	135 Å²	135	55.8 Å²	55.8	53%	0.529	26%	0.264	S	S	.	.	H	α-helix	trans	-57.6	-41.1	174.9	175.1	-102.6	0	0	0	112.8	R641 D648 K649	R641-Y645 WeakPolarHBondContact O-CB 3.48Å; R641-Y645 PolarHBondContact O-N 3.27Å; Y645-D648 PolarHBondContact O-N 2.71Å; Y645-K649 HydrophobicContact CD1-CG 4.39Å; Y645-K649 HydrophobicContact CE1-CG 4Å; Y645-K649 HydrophobicContact CE2-CG 4.38Å; Y645-K649 WeakPolarHBondContact O-CG 3.45Å; Y645-K649 PolarHBondContact O-N 2.97Å; Y645-K649 WeakPolarHBondContact OH-CE 3.4Å
646	M	87	Confident	83.8	Confident	27 Å²	27	54.4 Å²	54.4	13%	0.133	26%	0.262	C	S	.	.	H	α-helix	trans	-69.5	-33.2	178	-73.8	-50.7	-43.2	0	0	113.1	K642 L643 E644 K649 L650 T704 I705 L708	K642-M646 WeakPolarHBondContact O-CB 3.47Å; K642-M646 VanDerWaalsContact O-CG 3.24Å; K642-M646 WeakPolarHBondContact O-CG 3.43Å; K642-M646 PolarHBondContact O-N 3.03Å; L643-M646 PolarHBondContact O-N 2.63Å; E644-M646 VanDerWaalsContact C-N 3.29Å; E644-M646 PolarHBondContact O-N 3.37Å; M646-K649 HydrophobicContact CE-CB 4.34Å; M646-K649 PolarHBondContact O-N 3.27Å; M646-L650 WeakPolarHBondContact O-CB 3.44Å; M646-L650 PolarHBondContact O-N 2.68Å; M646-T704 WeakPolarHBondContact CE-OG1 3.42Å; M646-I705 HydrophobicContact CB-CD1 4.33Å; M646-I705 HydrophobicContact CB-CG1 3.79Å; M646-L708 HydrophobicContact CG-CD1 4.1Å
647	I	88.3	Confident	84.8	Confident	11 Å²	11	51.3 Å²	51.3	6%	0.056	25%	0.25	C	C	.	.	H	α-helix	trans	-63	-44.8	171.3	-69.8	167.2	0	0	0	110.1	I606 T609 M610 L643 E644 K649 L650 C651	I606-I647 HydrophobicContact CG1-CG2 4.43Å; I606-I647 HydrophobicContact CG2-CG2 3.94Å; T609-I647 HydrophobicContact CG2-CD1 3.62Å; T609-I647 HydrophobicContact CG2-CG1 3.91Å; M610-I647 HydrophobicContact SD-CD1 4.41Å; L643-I647 WeakPolarHBondContact O-CG1 3.43Å; L643-I647 PolarHBondContact O-N 2.91Å; E644-I647 WeakPolarHBondContact O-CB 3.5Å; E644-I647 PolarHBondContact O-N 3.3Å; E644-I647 VanDerWaalsContact O-N 3.12Å; I647-K649 VanDerWaalsContact C-N 3.34Å; I647-K649 PolarHBondContact O-N 3.19Å; I647-L650 WeakPolarHBondContact O-CB 3.36Å; I647-L650 PolarHBondContact O-N 3.43Å; I647-C651 PolarHBondContact O-N 3.45Å; I647-C651 PolarHBondContact O-SG 3.38Å
648	D	86.8	Confident	85.5	Confident	101 Å²	101	49.5 Å²	49.5	54%	0.54	24%	0.239	S	C	.	.	H	α-helix	trans	-63	-42.6	178.6	-69.7	-26.8	0	0	0	111.3	E644 Y645 L650 C651 E652	E644-D648 PolarHBondContact O-N 2.94Å; Y645-D648 PolarHBondContact O-N 2.71Å; D648-L650 PolarHBondContact O-N 3.34Å; D648-C651 WeakPolarHBondContact O-CB 3.32Å; D648-C651 PolarHBondContact O-N 3.42Å; D648-E652 PolarHBondContact O-N 2.87Å
649	K	88	Confident	86	Confident	94 Å²	94	50.6 Å²	50.6	41%	0.409	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-44.4	173.2	-72.5	-62.2	-175.2	-173.8	0	112.4	Y645 M646 I647 C651 E652 S653	Y645-K649 HydrophobicContact CD1-CG 4.39Å; Y645-K649 HydrophobicContact CE1-CG 4Å; Y645-K649 HydrophobicContact CE2-CG 4.38Å; Y645-K649 WeakPolarHBondContact O-CG 3.45Å; Y645-K649 PolarHBondContact O-N 2.97Å; Y645-K649 WeakPolarHBondContact OH-CE 3.4Å; M646-K649 HydrophobicContact CE-CB 4.34Å; M646-K649 PolarHBondContact O-N 3.27Å; I647-K649 VanDerWaalsContact C-N 3.34Å; I647-K649 PolarHBondContact O-N 3.19Å; K649-C651 VanDerWaalsContact C-N 3.32Å; K649-C651 PolarHBondContact O-N 3.26Å; K649-E652 PolarHBondContact O-N 3.24Å; K649-S653 PolarHBondContact O-N 3.19Å; K649-S653 PolarHBondContact O-OG 2.95Å; K649-S653 VanDerWaalsContact O-OG 3.14Å
650	L	89.7	Confident	86.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-42.8	175.4	178.7	61.2	0	0	0	111.4	L605 I606 M646 I647 D648 S653 L654 V698 I702 I705	L605-L650 HydrophobicContact CD2-CD2 4.09Å; I606-L650 HydrophobicContact CD1-CD2 4.11Å; I606-L650 HydrophobicContact CD1-CG 4.3Å; I606-L650 HydrophobicContact CG1-CD2 3.75Å; I606-L650 HydrophobicContact CG1-CG 4.41Å; M646-L650 WeakPolarHBondContact O-CB 3.44Å; M646-L650 PolarHBondContact O-N 2.68Å; I647-L650 WeakPolarHBondContact O-CB 3.36Å; I647-L650 PolarHBondContact O-N 3.43Å; D648-L650 PolarHBondContact O-N 3.34Å; L650-S653 PolarHBondContact O-N 3.47Å; L650-L654 HydrophobicContact CD1-CD1 4.4Å; L650-L654 HydrophobicContact CD1-CG 4.37Å; L650-L654 HydrophobicContact CG-CD1 4.17Å; L650-L654 WeakPolarHBondContact O-CB 3.34Å; L650-L654 VanDerWaalsContact O-CG 3.25Å; L650-L654 WeakPolarHBondContact O-CG 3.33Å; L650-L654 PolarHBondContact O-N 3.49Å; L650-V698 HydrophobicContact CD1-CG1 3.81Å; L650-I702 HydrophobicContact CD1-CD1 4.23Å; L650-I702 HydrophobicContact CD1-CG1 3.8Å; L650-I702 HydrophobicContact CD2-CG1 4.3Å; L650-I705 HydrophobicContact CD2-CD1 4.11Å
651	C	89.8	Confident	86.6	Confident	27 Å²	27	50.2 Å²	50.2	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-45.1	176.1	-73.1	0	0	0	0	112.2	I647 D648 K649 L654 K655	I647-C651 PolarHBondContact O-N 3.45Å; I647-C651 PolarHBondContact O-SG 3.38Å; D648-C651 WeakPolarHBondContact O-CB 3.32Å; D648-C651 PolarHBondContact O-N 3.42Å; K649-C651 VanDerWaalsContact C-N 3.32Å; K649-C651 PolarHBondContact O-N 3.26Å; C651-L654 PolarHBondContact O-N 3.03Å; C651-K655 WeakPolarHBondContact O-CG 3.35Å; C651-K655 PolarHBondContact O-N 2.88Å
652	E	86.2	Confident	86.7	Confident	107 Å²	107	44.8 Å²	44.8	50%	0.5	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-44.1	176	-72.8	-53.7	129.7	0	0	112.1	D648 K649 L654 K655 G656	D648-E652 PolarHBondContact O-N 2.87Å; K649-E652 PolarHBondContact O-N 3.24Å; E652-L654 VanDerWaalsContact C-N 3.3Å; E652-L654 PolarHBondContact O-N 2.89Å; E652-K655 WeakPolarHBondContact O-CB 3.37Å; E652-K655 PolarHBondContact O-N 3.19Å; E652-K655 IonicContact OE1-NZ 2.78Å; E652-K655 PolarHBondContact OE1-NZ 2.96Å; E652-G656 PolarHBondContact O-N 3.25Å
653	S	89.4	Confident	86.6	Confident	18 Å²	18	42.7 Å²	42.7	13%	0.126	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-38.7	175.1	-61.4	0	0	0	0	112.3	K649 L650 G656 L657 S697	K649-S653 PolarHBondContact O-N 3.19Å; K649-S653 PolarHBondContact O-OG 2.95Å; K649-S653 VanDerWaalsContact O-OG 3.14Å; L650-S653 PolarHBondContact O-N 3.47Å; S653-G656 PolarHBondContact O-N 3.46Å; S653-L657 PolarHBondContact O-N 3.1Å; S653-S697 PolarHBondContact OG-OG 3.38Å
654	L	88.8	Confident	86.3	Confident	8 Å²	8	42.6 Å²	42.6	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-67.2	-39.8	175.2	-72.4	169.6	0	0	0	112.4	V598 I606 L650 C651 E652 G656 L657 V658 V698	V598-L654 HydrophobicContact CG1-CD2 4.33Å; I606-L654 HydrophobicContact CD1-CD1 3.84Å; L650-L654 HydrophobicContact CD1-CD1 4.4Å; L650-L654 HydrophobicContact CD1-CG 4.37Å; L650-L654 HydrophobicContact CG-CD1 4.17Å; L650-L654 WeakPolarHBondContact O-CB 3.34Å; L650-L654 VanDerWaalsContact O-CG 3.25Å; L650-L654 WeakPolarHBondContact O-CG 3.33Å; L650-L654 PolarHBondContact O-N 3.49Å; C651-L654 PolarHBondContact O-N 3.03Å; E652-L654 VanDerWaalsContact C-N 3.3Å; E652-L654 PolarHBondContact O-N 2.89Å; L654-G656 VanDerWaalsContact C-N 3.31Å; L654-G656 PolarHBondContact O-N 2.93Å; L654-L657 PolarHBondContact O-N 3.37Å; L654-V658 WeakPolarHBondContact O-CG2 3.32Å; L654-V658 PolarHBondContact O-N 3.5Å; L654-V698 HydrophobicContact CD2-CG1 4.11Å; L654-V698 HydrophobicContact CD2-CG2 4.13Å; L654-V698 HydrophobicContact CG-CG2 4.47Å
655	K	86.2	Confident	85.8	Confident	63 Å²	63	40.7 Å²	40.7	27%	0.274	21%	0.207	S	C	.	.	H	α-helix	trans	-59.7	-43.5	173.4	-72.2	172.1	-172.8	172.6	0	111	C651 E652 V658 T659	C651-K655 WeakPolarHBondContact O-CG 3.35Å; C651-K655 PolarHBondContact O-N 2.88Å; E652-K655 WeakPolarHBondContact O-CB 3.37Å; E652-K655 PolarHBondContact O-N 3.19Å; E652-K655 IonicContact OE1-NZ 2.78Å; E652-K655 PolarHBondContact OE1-NZ 2.96Å; K655-V658 PolarHBondContact O-N 3.37Å; K655-T659 WeakPolarHBondContact O-CB 3.21Å; K655-T659 PolarHBondContact O-N 3.15Å; K655-T659 PolarHBondContact O-OG1 3.12Å
656	G	84.9	Confident	85	Confident	32 Å²	32	40.9 Å²	40.9	33%	0.33	21%	0.211	S	C	.	.	H	α-helix	trans	-57.6	-49.5	173.8	0	0	0	0	0	112.2	E652 S653 L654 V658 T659 L660	E652-G656 PolarHBondContact O-N 3.25Å; S653-G656 PolarHBondContact O-N 3.46Å; L654-G656 VanDerWaalsContact C-N 3.31Å; L654-G656 PolarHBondContact O-N 2.93Å; G656-V658 PolarHBondContact O-N 3.12Å; G656-T659 PolarHBondContact O-N 3.43Å; G656-L660 WeakPolarHBondContact O-CG 3.3Å; G656-L660 PolarHBondContact O-N 3.36Å
657	L	88.5	Confident	84.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-44.4	178.1	179.6	62.8	0	0	0	112.8	T595 V598 S653 L654 T659 L660 T661 L691 A694 L695 V698	T595-L657 HydrophobicContact CG2-CD2 4.4Å; T595-L657 HydrophobicContact CG2-CG 4.21Å; V598-L657 HydrophobicContact CB-CD2 4.39Å; V598-L657 HydrophobicContact CG1-CD2 3.81Å; S653-L657 PolarHBondContact O-N 3.1Å; L654-L657 PolarHBondContact O-N 3.37Å; L657-T659 VanDerWaalsContact C-N 3.34Å; L657-T659 PolarHBondContact O-N 3.05Å; L657-L660 PolarHBondContact O-N 3.21Å; L657-T661 WeakPolarHBondContact O-CB 3.32Å; L657-T661 PolarHBondContact O-N 3.45Å; L657-T661 PolarHBondContact O-OG1 2.94Å; L657-L691 HydrophobicContact CD1-CD1 3.63Å; L657-A694 HydrophobicContact CB-CB 4.41Å; L657-A694 HydrophobicContact CD1-CB 4.27Å; L657-L695 HydrophobicContact CD1-CD2 3.82Å; L657-L695 HydrophobicContact CD1-CG 3.92Å; L657-L695 HydrophobicContact CD2-CD2 3.84Å; L657-V698 HydrophobicContact CD2-CG2 4.38Å
658	V	87.1	Confident	82.7	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-64.8	-40.1	178.3	171.2	0	0	0	0	111.4	Y525 M599 L654 K655 G656 T661 K662	Y525-V658 HydrophobicContact CD2-CG1 4.24Å; Y525-V658 HydrophobicContact CE2-CG1 4.06Å; M599-V658 HydrophobicContact CE-CG2 3.84Å; M599-V658 HydrophobicContact CG-CG2 4.1Å; M599-V658 HydrophobicContact SD-CG2 3.31Å; M599-V658 WeakPolarHBondContact SD-CG2 3.46Å; L654-V658 WeakPolarHBondContact O-CG2 3.32Å; L654-V658 PolarHBondContact O-N 3.5Å; K655-V658 PolarHBondContact O-N 3.37Å; G656-V658 PolarHBondContact O-N 3.12Å; V658-T661 PolarHBondContact O-N 2.91Å; V658-K662 HydrophobicContact CG1-CD 4.28Å; V658-K662 WeakPolarHBondContact O-CG 3.33Å; V658-K662 PolarHBondContact O-N 3.36Å
659	T	85.9	Confident	81.5	Confident	68 Å²	68	41.8 Å²	41.8	42%	0.417	22%	0.216	S	C	.	.	H	α-helix	trans	-64.9	-45.2	179.6	-57.2	0	0	0	0	110.9	K655 G656 L657 T661 K662 E663	K655-T659 WeakPolarHBondContact O-CB 3.21Å; K655-T659 PolarHBondContact O-N 3.15Å; K655-T659 PolarHBondContact O-OG1 3.12Å; G656-T659 PolarHBondContact O-N 3.43Å; L657-T659 VanDerWaalsContact C-N 3.34Å; L657-T659 PolarHBondContact O-N 3.05Å; T659-T661 PolarHBondContact O-N 3.49Å; T659-K662 WeakPolarHBondContact O-CB 3.4Å; T659-K662 PolarHBondContact O-N 3.25Å; T659-E663 PolarHBondContact O-N 2.89Å
660	L	85.6	Confident	79.9	Confident	22 Å²	22	43.6 Å²	43.6	12%	0.115	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-39.9	175.1	-70.3	169.9	0	0	0	112.3	G656 L657 K662 E663 I664 R690 A694	G656-L660 WeakPolarHBondContact O-CG 3.3Å; G656-L660 PolarHBondContact O-N 3.36Å; L657-L660 PolarHBondContact O-N 3.21Å; L660-K662 VanDerWaalsContact C-N 3.28Å; L660-K662 PolarHBondContact O-N 3.49Å; L660-E663 WeakPolarHBondContact O-CB 3.39Å; L660-E663 PolarHBondContact O-N 3.21Å; L660-E663 VanDerWaalsContact O-N 3.15Å; L660-I664 WeakPolarHBondContact O-CG1 3.11Å; L660-I664 PolarHBondContact O-N 3.36Å; L660-R690 HydrophobicContact CD1-CB 4.16Å; L660-R690 WeakPolarHBondContact CD1-O 3.09Å; L660-R690 HydrophobicContact CD2-CB 3.92Å; L660-A694 HydrophobicContact CD1-CB 3.57Å
661	T	85.1	Confident	78	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-39.1	175.5	-56.5	0	0	0	0	111.2	I591 I592 T595 L657 V658 T659 A665	I591-T661 HydrophobicContact CG2-CG2 4.47Å; I592-T661 HydrophobicContact CG1-CG2 4.27Å; T595-T661 HydrophobicContact CG2-CG2 4.06Å; T595-T661 WeakPolarHBondContact CG2-OG1 3.4Å; T595-T661 PolarHBondContact OG1-OG1 2.88Å; L657-T661 WeakPolarHBondContact O-CB 3.32Å; L657-T661 PolarHBondContact O-N 3.45Å; L657-T661 PolarHBondContact O-OG1 2.94Å; V658-T661 PolarHBondContact O-N 2.91Å; T659-T661 PolarHBondContact O-N 3.49Å; T661-A665 WeakPolarHBondContact O-CB 3.34Å; T661-A665 PolarHBondContact O-N 3.4Å
662	K	82.1	Confident	76.1	Confident	51 Å²	51	50.8 Å²	50.8	22%	0.222	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-40	173.5	-76.1	172.4	176.1	179.5	0	112.1	L521 Y525 V658 T659 L660 A665 K666	L521-K662 HydrophobicContact CB-CG 4.42Å; L521-K662 HydrophobicContact CD1-CG 4.06Å; L521-K662 WeakPolarHBondContact O-CE 3.12Å; L521-K662 PolarHBondContact O-NZ 3.41Å; Y525-K662 VanDerWaalsContact CD2-NZ 3.35Å; V658-K662 HydrophobicContact CG1-CD 4.28Å; V658-K662 WeakPolarHBondContact O-CG 3.33Å; V658-K662 PolarHBondContact O-N 3.36Å; T659-K662 WeakPolarHBondContact O-CB 3.4Å; T659-K662 PolarHBondContact O-N 3.25Å; L660-K662 VanDerWaalsContact C-N 3.28Å; L660-K662 PolarHBondContact O-N 3.49Å; K662-A665 PolarHBondContact O-N 3.46Å; K662-K666 WeakPolarHBondContact O-CB 3.47Å; K662-K666 WeakPolarHBondContact O-CG 3.44Å; K662-K666 PolarHBondContact O-N 2.92Å
663	E	82.1	Confident	74.3	Confident	70 Å²	70	54.4 Å²	54.4	33%	0.327	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-45.8	176.5	-167.9	-177.4	161.7	0	0	111	T659 L660 A665 K666 F667 L687 R690	T659-E663 PolarHBondContact O-N 2.89Å; L660-E663 WeakPolarHBondContact O-CB 3.39Å; L660-E663 PolarHBondContact O-N 3.21Å; L660-E663 VanDerWaalsContact O-N 3.15Å; E663-A665 PolarHBondContact O-N 3.19Å; E663-K666 PolarHBondContact O-N 2.9Å; E663-F667 WeakPolarHBondContact O-CB 3.48Å; E663-F667 PolarHBondContact O-N 3.47Å; E663-L687 HydrophobicContact CG-CD2 4.15Å; E663-R690 IonicContact OE1-CZ 3.41Å; E663-R690 IonicContact OE1-NH1 3.26Å; E663-R690 PolarHBondContact OE1-NH1 3.34Å; E663-R690 IonicContact OE1-NH2 2.72Å; E663-R690 PolarHBondContact OE1-NH2 3.42Å; E663-R690 IonicContact OE2-CZ 3.3Å; E663-R690 IonicContact OE2-NH1 3.64Å; E663-R690 PolarHBondContact OE2-NH1 3.21Å; E663-R690 IonicContact OE2-NH2 3.81Å
664	I	77.6	Confident	72	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.015	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-45	175.5	-66.6	168.2	0	0	0	110.8	L660 K666 F667 L668 I683 L687 L691	L660-I664 WeakPolarHBondContact O-CG1 3.11Å; L660-I664 PolarHBondContact O-N 3.36Å; I664-K666 PolarHBondContact O-N 3.48Å; I664-F667 PolarHBondContact O-N 3.05Å; I664-L668 HydrophobicContact CG2-CD1 4.01Å; I664-L668 WeakPolarHBondContact O-CG 3.47Å; I664-L668 PolarHBondContact O-N 3.3Å; I664-I683 HydrophobicContact CG2-CD1 3.82Å; I664-I683 HydrophobicContact CG2-CG1 4.37Å; I664-L687 HydrophobicContact CG1-CB 4.48Å; I664-L687 HydrophobicContact CG1-CD2 4.25Å; I664-L691 HydrophobicContact CD1-CB 4.2Å; I664-L691 HydrophobicContact CD1-CD1 4.33Å; I664-L691 HydrophobicContact CD1-CD2 3.79Å; I664-L691 HydrophobicContact CD1-CG 4.34Å
665	A	74.3	Confident	69.8	Low	15 Å²	15	64.2 Å²	64.2	12%	0.124	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-44.4	176.7	0	0	0	0	0	111.7	I592 T661 K662 E663 L668 T669	I592-A665 HydrophobicContact CD1-CB 4.39Å; T661-A665 WeakPolarHBondContact O-CB 3.34Å; T661-A665 PolarHBondContact O-N 3.4Å; K662-A665 PolarHBondContact O-N 3.46Å; E663-A665 PolarHBondContact O-N 3.19Å; A665-L668 PolarHBondContact O-N 2.97Å; A665-T669 WeakPolarHBondContact O-CG2 3.32Å; A665-T669 PolarHBondContact O-N 2.71Å; A665-T669 PolarHBondContact O-OG1 3.09Å
666	K	72.5	Confident	67.6	Low	140 Å²	140	66.2 Å²	66.2	61%	0.609	35%	0.345	S	S	*	.	H	α-helix	trans	-64.6	-44.5	177.6	-78.1	-180	179.1	-175.2	0	112.8	K662 E663 I664 L668 T669 N670	K662-K666 WeakPolarHBondContact O-CB 3.47Å; K662-K666 WeakPolarHBondContact O-CG 3.44Å; K662-K666 PolarHBondContact O-N 2.92Å; E663-K666 PolarHBondContact O-N 2.9Å; I664-K666 PolarHBondContact O-N 3.48Å; K666-L668 PolarHBondContact O-N 3.48Å; K666-T669 WeakPolarHBondContact CA-OG1 3.5Å; K666-T669 PolarHBondContact O-N 3.37Å; K666-T669 PolarHBondContact O-OG1 2.9Å; K666-T669 VanDerWaalsContact O-OG1 3.08Å; K666-N670 VanDerWaalsContact O-CB 3.31Å; K666-N670 WeakPolarHBondContact O-CB 3.27Å; K666-N670 VanDerWaalsContact O-CG 3.28Å; K666-N670 PolarHBondContact O-N 3.3Å; K666-N670 PolarHBondContact O-OD1 2.89Å
667	F	66.6	Low	65.8	Low	73 Å²	73	69.8 Å²	69.8	32%	0.32	37%	0.365	S	S	.	.	H	α-helix	trans	-54.9	-43.5	178.1	-179.5	-96.6	0	0	0	110.4	E663 I664 E671 P684 L687	E663-F667 WeakPolarHBondContact O-CB 3.48Å; E663-F667 PolarHBondContact O-N 3.47Å; I664-F667 PolarHBondContact O-N 3.05Å; F667-E671 HydrophobicContact CE2-CG 4.49Å; F667-E671 WeakPolarHBondContact O-CB 3.23Å; F667-E671 WeakPolarHBondContact O-CG 3.26Å; F667-E671 PolarHBondContact O-N 3.36Å; F667-P684 HydrophobicContact CD1-CG 4.45Å; F667-P684 HydrophobicContact CE1-CG 3.74Å; F667-P684 HydrophobicContact CE2-CG 4.32Å; F667-P684 HydrophobicContact CZ-CG 3.67Å; F667-L687 HydrophobicContact CG-CD1 4.35Å
668	L	59.4	Low	63.6	Low	4 Å²	4	75.8 Å²	75.8	2%	0.021	40%	0.397	C	S	.	.	H	α-helix	trans	-79.9	-36.3	-177	-62.9	171.6	0	0	0	113.2	I588 I664 A665 K666 N670 F672 I681	I588-L668 HydrophobicContact CD1-CB 3.42Å; I588-L668 VanDerWaalsContact CD1-CB 3.42Å; I588-L668 HydrophobicContact CD1-CD1 3.46Å; I588-L668 VanDerWaalsContact CD1-CD1 3.46Å; I588-L668 HydrophobicContact CD1-CG 4.03Å; I588-L668 HydrophobicContact CG1-CB 4.37Å; I588-L668 HydrophobicContact CG1-CD1 3.43Å; I588-L668 VanDerWaalsContact CG1-CD1 3.43Å; I588-L668 HydrophobicContact CG1-CG 4.5Å; I664-L668 HydrophobicContact CG2-CD1 4.01Å; I664-L668 WeakPolarHBondContact O-CG 3.47Å; I664-L668 PolarHBondContact O-N 3.3Å; A665-L668 PolarHBondContact O-N 2.97Å; K666-L668 PolarHBondContact O-N 3.48Å; L668-N670 VanDerWaalsContact C-N 3.34Å; L668-F672 HydrophobicContact CD2-CD2 4.03Å; L668-F672 HydrophobicContact CD2-CE2 4.03Å; L668-F672 WeakPolarHBondContact O-CB 3.34Å; L668-F672 PolarHBondContact O-N 3.09Å; L668-F672 VanDerWaalsContact O-N 3.13Å; L668-I681 HydrophobicContact CD2-CB 4Å; L668-I681 HydrophobicContact CD2-CD1 4.19Å; L668-I681 HydrophobicContact CD2-CG2 3.34Å
669	T	61.9	Low	61.5	Low	81 Å²	81	82.9 Å²	82.9	50%	0.497	43%	0.428	S	S	.	.	H	α-helix	trans	-65.9	-36.7	174.4	53.1	0	0	0	0	112.4	A665 K666	A665-T669 WeakPolarHBondContact O-CG2 3.32Å; A665-T669 PolarHBondContact O-N 2.71Å; A665-T669 PolarHBondContact O-OG1 3.09Å; K666-T669 WeakPolarHBondContact CA-OG1 3.5Å; K666-T669 PolarHBondContact O-N 3.37Å; K666-T669 PolarHBondContact O-OG1 2.9Å; K666-T669 VanDerWaalsContact O-OG1 3.08Å
670	N	55.2	Low	59.8	Low	131 Å²	131	83.9 Å²	83.9	70%	0.701	43%	0.43	S	S	*	.	H	α-helix	trans	-79.6	-34.3	-176	-71.3	6.3	0	0	0	112.8	K666 L668	K666-N670 VanDerWaalsContact O-CB 3.31Å; K666-N670 WeakPolarHBondContact O-CB 3.27Å; K666-N670 VanDerWaalsContact O-CG 3.28Å; K666-N670 PolarHBondContact O-N 3.3Å; K666-N670 PolarHBondContact O-OD1 2.89Å; L668-N670 VanDerWaalsContact C-N 3.34Å
671	E	49.2	Very low	58.3	Low	106 Å²	106	84.5 Å²	84.5	50%	0.495	43%	0.433	S	S	.	.	H	α-helix	trans	-88.3	-21.7	-178.6	-70.3	-92.9	155.3	0	0	112.7	K463 F667	K463-E671 IonicContact NZ-OE1 3.5Å; F667-E671 HydrophobicContact CE2-CG 4.49Å; F667-E671 WeakPolarHBondContact O-CB 3.23Å; F667-E671 WeakPolarHBondContact O-CG 3.26Å; F667-E671 PolarHBondContact O-N 3.36Å
672	F	50.2	Low	57.2	Low	72 Å²	72	89.3 Å²	89.3	32%	0.316	46%	0.464	S	S	.	.			trans	-136.2	63.3	-169	-52.5	-78.6	0	0	0	113.5	L668 I674 I675 I681	L668-F672 HydrophobicContact CD2-CD2 4.03Å; L668-F672 HydrophobicContact CD2-CE2 4.03Å; L668-F672 WeakPolarHBondContact O-CB 3.34Å; L668-F672 PolarHBondContact O-N 3.09Å; L668-F672 VanDerWaalsContact O-N 3.13Å; F672-I674 PolarHBondContact O-N 3.43Å; F672-I675 HydrophobicContact CD1-CD1 3.66Å; F672-I675 HydrophobicContact CD1-CG1 4.46Å; F672-I675 HydrophobicContact CE1-CD1 4.25Å; F672-I681 HydrophobicContact CB-CD1 4.17Å; F672-I681 HydrophobicContact CD2-CD1 3.98Å; F672-I681 HydrophobicContact CD2-CG2 4Å; F672-I681 HydrophobicContact CE2-CG2 3.53Å; F672-I681 HydrophobicContact CG-CD1 4.01Å; F672-I681 HydrophobicContact CZ-CG2 3.84Å
673	E	47.9	Very low	56.4	Low	184 Å²	184	88 Å²	88	86%	0.86	46%	0.459	S	S	*	.	S	Bend	trans	-65.1	-15.9	171.6	-79.9	-168.6	150.9	0	0	113.4
674	I	42.1	Very low	55.7	Low	154 Å²	154	86.7 Å²	86.7	79%	0.79	46%	0.457	S	S	*	.	S	Bend	trans	-145	76.2	-170.1	-43	173.5	0	0	0	111.6	F672	F672-I674 PolarHBondContact O-N 3.43Å
675	I	42.6	Very low	55.4	Low	77 Å²	77	88.9 Å²	88.9	40%	0.395	48%	0.481	S	S	.	.			trans	-138.8	132.9	159.8	-56.4	-177.6	0	0	0	110.8	F672 K679	F672-I675 HydrophobicContact CD1-CD1 3.66Å; F672-I675 HydrophobicContact CD1-CG1 4.46Å; F672-I675 HydrophobicContact CE1-CD1 4.25Å; I675-K679 HydrophobicContact CG2-CB 3.66Å; I675-K679 HydrophobicContact CG2-CD 4.07Å
676	P	39.8	Very low	55.6	Low	106 Å²	106	92.3 Å²	92.3	69%	0.688	50%	0.502	S	S	*	.			trans	-59.7	148.9	176.1	22.6	-33.3	0	0	0	112.9	N678 K679	P676-N678 PolarHBondContact O-N 3.17Å; P676-K679 PolarHBondContact O-N 2.86Å
677	S	45.9	Very low	56	Low	107 Å²	107	86.2 Å²	86.2	75%	0.748	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-1.7	-171.4	56.7	0	0	0	0	118.8	N585	N585-S677 PolarHBondContact ND2-O 2.96Å
678	N	43.3	Very low	56.6	Low	125 Å²	125	83.3 Å²	83.3	67%	0.668	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-0.1	-171.2	-70.8	0.2	0	0	0	114.7	P676	P676-N678 PolarHBondContact O-N 3.17Å
679	K	42.9	Very low	57.7	Low	150 Å²	150	89 Å²	89	65%	0.652	49%	0.49	S	S	*	.			trans	-96.4	115.2	174.5	-135.5	177	-176.5	-177.9	0	110.1	I675 P676 I681	I675-K679 HydrophobicContact CG2-CB 3.66Å; I675-K679 HydrophobicContact CG2-CD 4.07Å; P676-K679 PolarHBondContact O-N 2.86Å; K679-I681 PolarHBondContact O-N 3.43Å
680	I	50.5	Low	58.8	Low	89 Å²	89	88 Å²	88	46%	0.456	48%	0.477	S	S	.	.			trans	-59.3	114.9	169.7	-61.3	166.7	0	0	0	106.8	P682	I680-P682 WeakPolarHBondContact O-CD 3.47Å
681	I	53.9	Low	60.3	Low	35 Å²	35	81.8 Å²	81.8	18%	0.179	44%	0.443	C	S	.	.			trans	-88.5	112	171.9	-52.8	169.3	0	0	0	106.5	L668 F672 K679 I683	L668-I681 HydrophobicContact CD2-CB 4Å; L668-I681 HydrophobicContact CD2-CD1 4.19Å; L668-I681 HydrophobicContact CD2-CG2 3.34Å; F672-I681 HydrophobicContact CB-CD1 4.17Å; F672-I681 HydrophobicContact CD2-CD1 3.98Å; F672-I681 HydrophobicContact CD2-CG2 4Å; F672-I681 HydrophobicContact CE2-CG2 3.53Å; F672-I681 HydrophobicContact CG-CD1 4.01Å; F672-I681 HydrophobicContact CZ-CG2 3.84Å; K679-I681 PolarHBondContact O-N 3.43Å; I681-I683 PolarHBondContact O-N 3.1Å
682	P	62.4	Low	62.1	Low	103 Å²	103	77.5 Å²	77.5	67%	0.669	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-66.5	120.5	177.9	26.7	-31.7	0	0	0	108.7	I680	I680-P682 WeakPolarHBondContact O-CD 3.47Å
683	I	63.7	Low	63.8	Low	22 Å²	22	74.6 Å²	74.6	11%	0.113	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-67.5	132.9	168.7	-66.5	177.9	0	0	0	107.2	L586 I591 I664 I681 G685 L687 L688	L586-I683 HydrophobicContact CD2-CD1 3.56Å; L586-I683 HydrophobicContact CD2-CG1 3.7Å; I591-I683 HydrophobicContact CD1-CD1 3.26Å; I664-I683 HydrophobicContact CG2-CD1 3.82Å; I664-I683 HydrophobicContact CG2-CG1 4.37Å; I681-I683 PolarHBondContact O-N 3.1Å; I683-G685 PolarHBondContact O-N 3.41Å; I683-L687 HydrophobicContact CG2-CB 3.78Å; I683-L688 HydrophobicContact CG2-CB 4.23Å
684	P	68.4	Low	65.8	Low	44 Å²	44	66.2 Å²	66.2	29%	0.286	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-51.6	131	175.3	-28.4	35.6	0	0	0	111.8	F667 P686 L687 L688	F667-P684 HydrophobicContact CD1-CG 4.45Å; F667-P684 HydrophobicContact CE1-CG 3.74Å; F667-P684 HydrophobicContact CE2-CG 4.32Å; F667-P684 HydrophobicContact CZ-CG 3.67Å; P684-P686 VanDerWaalsContact C-CD 3.44Å; P684-P686 VanDerWaalsContact C-N 3.27Å; P684-P686 VanDerWaalsContact O-N 3.12Å; P684-L687 HydrophobicContact CB-CB 4.43Å; P684-L687 HydrophobicContact CB-CD1 4.21Å; P684-L687 HydrophobicContact CG-CD1 3.93Å; P684-L687 WeakPolarHBondContact O-CA 3.42Å; P684-L687 WeakPolarHBondContact O-CB 3.36Å; P684-L687 PolarHBondContact O-N 3.1Å; P684-L688 PolarHBondContact O-N 3.19Å
685	G	71.9	Confident	68	Low	49 Å²	49	58.9 Å²	58.9	51%	0.505	34%	0.339	S	S	.	.	H	α-helix	trans	-45.8	-44.2	-179.7	0	0	0	0	0	114.3	I683 L687 L688 Q689	I683-G685 PolarHBondContact O-N 3.41Å; G685-L687 PolarHBondContact O-N 3.3Å; G685-L688 PolarHBondContact O-N 3.22Å; G685-Q689 WeakPolarHBondContact O-CB 3.2Å; G685-Q689 PolarHBondContact O-N 3.45Å
686	P	78.3	Confident	70.3	Confident	87 Å²	87	60.1 Å²	60.1	57%	0.565	34%	0.342	S	S	*	.	H	α-helix	trans	-63.3	-35.7	176.1	-25.7	35.5	0	0	0	114.6	P684 R690	P684-P686 VanDerWaalsContact C-CD 3.44Å; P684-P686 VanDerWaalsContact C-N 3.27Å; P684-P686 VanDerWaalsContact O-N 3.12Å; P686-R690 WeakPolarHBondContact O-CG 3.44Å; P686-R690 PolarHBondContact O-N 3.31Å
687	L	79.1	Confident	72.7	Confident	11 Å²	11	56.2 Å²	56.2	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-68.7	-41.6	175.5	-84.7	168.2	0	0	0	111	E663 I664 F667 I683 P684 G685 Q689 R690 L691	E663-L687 HydrophobicContact CG-CD2 4.15Å; I664-L687 HydrophobicContact CG1-CB 4.48Å; I664-L687 HydrophobicContact CG1-CD2 4.25Å; F667-L687 HydrophobicContact CG-CD1 4.35Å; I683-L687 HydrophobicContact CG2-CB 3.78Å; P684-L687 HydrophobicContact CB-CB 4.43Å; P684-L687 HydrophobicContact CB-CD1 4.21Å; P684-L687 HydrophobicContact CG-CD1 3.93Å; P684-L687 WeakPolarHBondContact O-CA 3.42Å; P684-L687 WeakPolarHBondContact O-CB 3.36Å; P684-L687 PolarHBondContact O-N 3.1Å; G685-L687 PolarHBondContact O-N 3.3Å; L687-Q689 VanDerWaalsContact C-N 3.34Å; L687-R690 PolarHBondContact O-N 2.81Å; L687-L691 WeakPolarHBondContact O-CB 3.34Å; L687-L691 PolarHBondContact O-N 3.38Å
688	L	79.2	Confident	74.8	Confident	12 Å²	12	51.1 Å²	51.1	6%	0.063	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-39.8	176.7	-174.3	58.9	0	0	0	111.5	L566 F569 Q570 I683 P684 G685 L691 N692	L566-L688 HydrophobicContact CB-CD1 4.23Å; L566-L688 HydrophobicContact CD1-CD1 4.33Å; L566-L688 HydrophobicContact CD2-CD1 3.8Å; L566-L688 HydrophobicContact CG-CD1 4.34Å; F569-L688 HydrophobicContact CB-CD2 4.49Å; Q570-L688 HydrophobicContact CG-CD2 3.61Å; Q570-L688 HydrophobicContact CG-CG 4.22Å; I683-L688 HydrophobicContact CG2-CB 4.23Å; P684-L688 PolarHBondContact O-N 3.19Å; G685-L688 PolarHBondContact O-N 3.22Å; L688-L691 PolarHBondContact O-N 3.29Å; L688-N692 WeakPolarHBondContact O-CB 3.07Å; L688-N692 PolarHBondContact O-N 2.88Å
689	Q	82.5	Confident	77.2	Confident	124 Å²	124	46.2 Å²	46.2	58%	0.579	25%	0.254	S	S	*	.	H	α-helix	trans	-65	-44.3	175.1	-173.4	172.7	4.9	0	0	111.9	G685 L687 L691 N692 G693	G685-Q689 WeakPolarHBondContact O-CB 3.2Å; G685-Q689 PolarHBondContact O-N 3.45Å; L687-Q689 VanDerWaalsContact C-N 3.34Å; Q689-L691 VanDerWaalsContact C-N 3.34Å; Q689-L691 PolarHBondContact O-N 3.24Å; Q689-N692 PolarHBondContact O-N 3.49Å; Q689-G693 PolarHBondContact O-N 2.74Å
690	R	85.7	Confident	79.5	Confident	60 Å²	60	41.1 Å²	41.1	23%	0.226	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-42.9	174.4	-76.1	-168.4	-74.9	149.8	-5.3	111.8	L660 E663 P686 L687 G693 A694	L660-R690 HydrophobicContact CD1-CB 4.16Å; L660-R690 WeakPolarHBondContact CD1-O 3.09Å; L660-R690 HydrophobicContact CD2-CB 3.92Å; E663-R690 IonicContact OE1-CZ 3.41Å; E663-R690 IonicContact OE1-NH1 3.26Å; E663-R690 PolarHBondContact OE1-NH1 3.34Å; E663-R690 IonicContact OE1-NH2 2.72Å; E663-R690 PolarHBondContact OE1-NH2 3.42Å; E663-R690 IonicContact OE2-CZ 3.3Å; E663-R690 IonicContact OE2-NH1 3.64Å; E663-R690 PolarHBondContact OE2-NH1 3.21Å; E663-R690 IonicContact OE2-NH2 3.81Å; P686-R690 WeakPolarHBondContact O-CG 3.44Å; P686-R690 PolarHBondContact O-N 3.31Å; L687-R690 PolarHBondContact O-N 2.81Å; R690-G693 PolarHBondContact O-N 3.37Å; R690-A694 PolarHBondContact O-N 2.94Å
691	L	86.2	Confident	81.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-45.3	176.3	-177.8	66.9	0	0	0	111.9	L566 L657 I664 L687 L688 Q689 A694 L695	L566-L691 HydrophobicContact CD1-CD2 3.77Å; L566-L691 HydrophobicContact CD1-CG 4Å; L566-L691 HydrophobicContact CD2-CD2 3.93Å; L657-L691 HydrophobicContact CD1-CD1 3.63Å; I664-L691 HydrophobicContact CD1-CB 4.2Å; I664-L691 HydrophobicContact CD1-CD1 4.33Å; I664-L691 HydrophobicContact CD1-CD2 3.79Å; I664-L691 HydrophobicContact CD1-CG 4.34Å; L687-L691 WeakPolarHBondContact O-CB 3.34Å; L687-L691 PolarHBondContact O-N 3.38Å; L688-L691 PolarHBondContact O-N 3.29Å; Q689-L691 VanDerWaalsContact C-N 3.34Å; Q689-L691 PolarHBondContact O-N 3.24Å; L691-A694 PolarHBondContact O-N 3.5Å; L691-L695 HydrophobicContact CG-CD1 4.49Å; L691-L695 PolarHBondContact O-N 3.22Å
692	N	86.9	Confident	83.1	Confident	16 Å²	16	35.8 Å²	35.8	9%	0.086	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-44.4	176.8	-169.7	-16.8	0	0	0	111.1	L563 L688 Q689 A694 L695 K696	L563-N692 WeakPolarHBondContact CD2-OD1 3.27Å; L688-N692 WeakPolarHBondContact O-CB 3.07Å; L688-N692 PolarHBondContact O-N 2.88Å; Q689-N692 PolarHBondContact O-N 3.49Å; N692-A694 PolarHBondContact O-N 3.02Å; N692-L695 PolarHBondContact O-N 2.97Å; N692-K696 WeakPolarHBondContact O-CG 3.29Å; N692-K696 PolarHBondContact O-N 3.34Å; N692-K696 VanDerWaalsContact OD1-CE 3.29Å; N692-K696 WeakPolarHBondContact OD1-CE 3.28Å
693	G	86.5	Confident	84.4	Confident	12 Å²	12	35.1 Å²	35.1	12%	0.124	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-43	174.4	0	0	0	0	0	113.1	Q689 R690 K696 S697	Q689-G693 PolarHBondContact O-N 2.74Å; R690-G693 PolarHBondContact O-N 3.37Å; G693-K696 PolarHBondContact O-N 3.23Å; G693-S697 PolarHBondContact O-N 3.05Å
694	A	89.3	Confident	85.6	Confident	7 Å²	7	37 Å²	37	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-42.3	176	0	0	0	0	0	112.4	L657 L660 R690 L691 N692 K696 S697 V698	L657-A694 HydrophobicContact CB-CB 4.41Å; L657-A694 HydrophobicContact CD1-CB 4.27Å; L660-A694 HydrophobicContact CD1-CB 3.57Å; R690-A694 PolarHBondContact O-N 2.94Å; L691-A694 PolarHBondContact O-N 3.5Å; N692-A694 PolarHBondContact O-N 3.02Å; A694-K696 PolarHBondContact O-N 3.4Å; A694-S697 WeakPolarHBondContact O-CB 3.49Å; A694-S697 PolarHBondContact O-N 3.19Å; A694-V698 WeakPolarHBondContact O-CG2 3.2Å; A694-V698 PolarHBondContact O-N 3.03Å
695	L	89.8	Confident	86.4	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-42.2	174.5	-75.3	169	0	0	0	112.2	Y562 L563 L566 V598 L657 L691 N692 S697 V698 Q699	Y562-L695 HydrophobicContact CD1-CD1 3.58Å; Y562-L695 HydrophobicContact CD1-CD2 3.43Å; Y562-L695 VanDerWaalsContact CD1-CD2 3.43Å; Y562-L695 HydrophobicContact CD1-CG 4.14Å; Y562-L695 HydrophobicContact CD2-CD1 4.38Å; Y562-L695 HydrophobicContact CE1-CD1 3.71Å; Y562-L695 HydrophobicContact CE1-CD2 3.71Å; Y562-L695 HydrophobicContact CE1-CG 4.22Å; Y562-L695 HydrophobicContact CE2-CD1 4.48Å; Y562-L695 HydrophobicContact CG-CD1 3.93Å; Y562-L695 HydrophobicContact CG-CD2 4.38Å; L563-L695 HydrophobicContact CD2-CB 3.84Å; L563-L695 HydrophobicContact CD2-CD1 4.04Å; L563-L695 HydrophobicContact CG-CB 4.33Å; L563-L695 HydrophobicContact CG-CD1 4.49Å; L566-L695 HydrophobicContact CD1-CD1 3.51Å; V598-L695 HydrophobicContact CG2-CD2 4.38Å; L657-L695 HydrophobicContact CD1-CD2 3.82Å; L657-L695 HydrophobicContact CD1-CG 3.92Å; L657-L695 HydrophobicContact CD2-CD2 3.84Å; L691-L695 HydrophobicContact CG-CD1 4.49Å; L691-L695 PolarHBondContact O-N 3.22Å; N692-L695 PolarHBondContact O-N 2.97Å; L695-S697 VanDerWaalsContact C-N 3.31Å; L695-S697 PolarHBondContact O-N 3.05Å; L695-V698 PolarHBondContact O-N 3.34Å; L695-Q699 WeakPolarHBondContact O-CB 3.29Å; L695-Q699 PolarHBondContact O-N 3.39Å
696	K	90.6	Very high	87	Confident	104 Å²	104	33.9 Å²	33.9	45%	0.452	18%	0.175	S	C	.	.	H	α-helix	trans	-62.7	-37.1	173.8	-73.8	178.2	176.8	-179.9	0	112.3	N692 G693 A694 Q699 N700	N692-K696 WeakPolarHBondContact O-CG 3.29Å; N692-K696 PolarHBondContact O-N 3.34Å; N692-K696 VanDerWaalsContact OD1-CE 3.29Å; N692-K696 WeakPolarHBondContact OD1-CE 3.28Å; G693-K696 PolarHBondContact O-N 3.23Å; A694-K696 PolarHBondContact O-N 3.4Å; K696-Q699 WeakPolarHBondContact O-CB 3.02Å; K696-Q699 PolarHBondContact O-N 3.43Å; K696-N700 WeakPolarHBondContact O-CB 3.24Å; K696-N700 PolarHBondContact O-N 2.88Å
697	S	90.2	Very high	87.3	Confident	24 Å²	24	34 Å²	34	17%	0.168	17%	0.169	C	C	.	.	H	α-helix	trans	-62.7	-44.2	174.6	-178.4	0	0	0	0	112.1	S653 G693 A694 L695 N700 S701	S653-S697 PolarHBondContact OG-OG 3.38Å; G693-S697 PolarHBondContact O-N 3.05Å; A694-S697 WeakPolarHBondContact O-CB 3.49Å; A694-S697 PolarHBondContact O-N 3.19Å; L695-S697 VanDerWaalsContact C-N 3.31Å; L695-S697 PolarHBondContact O-N 3.05Å; S697-N700 PolarHBondContact O-N 3.18Å; S697-S701 PolarHBondContact O-N 3.2Å; S697-S701 VanDerWaalsContact O-N 3.1Å; S697-S701 PolarHBondContact O-OG 3.32Å
698	V	90.6	Very high	87.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-45.8	172.4	178.9	0	0	0	0	110.4	I559 V598 L650 L654 L657 A694 L695 N700 S701 I702	I559-V698 HydrophobicContact CD1-CB 4.34Å; I559-V698 HydrophobicContact CD1-CG1 3.64Å; V598-V698 HydrophobicContact CG1-CG1 4.32Å; L650-V698 HydrophobicContact CD1-CG1 3.81Å; L654-V698 HydrophobicContact CD2-CG1 4.11Å; L654-V698 HydrophobicContact CD2-CG2 4.13Å; L654-V698 HydrophobicContact CG-CG2 4.47Å; L657-V698 HydrophobicContact CD2-CG2 4.38Å; A694-V698 WeakPolarHBondContact O-CG2 3.2Å; A694-V698 PolarHBondContact O-N 3.03Å; L695-V698 PolarHBondContact O-N 3.34Å; V698-N700 VanDerWaalsContact C-N 3.34Å; V698-N700 PolarHBondContact O-N 2.81Å; V698-S701 PolarHBondContact O-N 3.39Å; V698-I702 HydrophobicContact CG1-CD1 3.96Å; V698-I702 WeakPolarHBondContact O-CG1 3.24Å; V698-I702 PolarHBondContact O-N 3.46Å
699	Q	91.8	Very high	87.1	Confident	22 Å²	22	34.9 Å²	34.9	10%	0.103	17%	0.173	C	C	.	.	H	α-helix	trans	-56.9	-45.9	178.5	-160.8	-162.2	42	0	0	111.9	L556 I559 D560 L695 K696 I702 K703	L556-Q699 HydrophobicContact CD2-CG 3.64Å; I559-Q699 HydrophobicContact CG2-CB 4.02Å; I559-Q699 HydrophobicContact CG2-CG 4.17Å; D560-Q699 PolarHBondContact OD1-NE2 3.4Å; L695-Q699 WeakPolarHBondContact O-CB 3.29Å; L695-Q699 PolarHBondContact O-N 3.39Å; K696-Q699 WeakPolarHBondContact O-CB 3.02Å; K696-Q699 PolarHBondContact O-N 3.43Å; Q699-I702 PolarHBondContact O-N 3.3Å; Q699-K703 HydrophobicContact CG-CD 4.38Å; Q699-K703 WeakPolarHBondContact O-CB 3.46Å; Q699-K703 WeakPolarHBondContact O-CG 2.92Å; Q699-K703 PolarHBondContact O-N 2.73Å
700	N	91.4	Very high	86.5	Confident	43 Å²	43	33.5 Å²	33.5	23%	0.23	17%	0.165	C	C	.	.	H	α-helix	trans	-66.1	-39.3	179.9	-72.4	-13	0	0	0	112.1	K696 S697 V698 I702 K703 T704	K696-N700 WeakPolarHBondContact O-CB 3.24Å; K696-N700 PolarHBondContact O-N 2.88Å; S697-N700 PolarHBondContact O-N 3.18Å; V698-N700 VanDerWaalsContact C-N 3.34Å; V698-N700 PolarHBondContact O-N 2.81Å; N700-I702 VanDerWaalsContact C-N 3.3Å; N700-I702 PolarHBondContact O-N 2.84Å; N700-K703 PolarHBondContact O-N 2.98Å; N700-T704 WeakPolarHBondContact O-CG2 3.28Å; N700-T704 PolarHBondContact O-N 3.14Å; N700-T704 PolarHBondContact O-OG1 3Å
701	S	90.7	Very high	85.3	Confident	11 Å²	11	34.4 Å²	34.4	8%	0.077	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-38	175.5	-57.3	0	0	0	0	111.6	S697 V698 T704 I705	S697-S701 PolarHBondContact O-N 3.2Å; S697-S701 VanDerWaalsContact O-N 3.1Å; S697-S701 PolarHBondContact O-OG 3.32Å; V698-S701 PolarHBondContact O-N 3.39Å; S701-T704 WeakPolarHBondContact CA-OG1 3.46Å; S701-T704 PolarHBondContact O-OG1 3.04Å; S701-I705 WeakPolarHBondContact O-CD1 3.37Å; S701-I705 VanDerWaalsContact O-CG1 3.29Å; S701-I705 WeakPolarHBondContact O-CG1 3.44Å; S701-I705 PolarHBondContact O-N 3.24Å
702	I	90	Very high	84	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-74.9	-39.2	177	-62.3	173.7	0	0	0	111.5	C552 L556 I559 L605 L650 V698 Q699 N700 T704 I705 H706	C552-I702 HydrophobicContact CB-CG2 4.01Å; L556-I702 HydrophobicContact CD1-CG2 4.31Å; L556-I702 HydrophobicContact CD2-CB 4Å; L556-I702 HydrophobicContact CD2-CG2 3.89Å; L556-I702 HydrophobicContact CG-CB 4.41Å; L556-I702 HydrophobicContact CG-CG2 3.73Å; I559-I702 HydrophobicContact CD1-CD1 3.61Å; L605-I702 HydrophobicContact CD2-CB 4.37Å; L605-I702 HydrophobicContact CD2-CD1 4.15Å; L605-I702 HydrophobicContact CD2-CG1 3.79Å; L605-I702 HydrophobicContact CD2-CG2 3.88Å; L650-I702 HydrophobicContact CD1-CD1 4.23Å; L650-I702 HydrophobicContact CD1-CG1 3.8Å; L650-I702 HydrophobicContact CD2-CG1 4.3Å; V698-I702 HydrophobicContact CG1-CD1 3.96Å; V698-I702 WeakPolarHBondContact O-CG1 3.24Å; V698-I702 PolarHBondContact O-N 3.46Å; Q699-I702 PolarHBondContact O-N 3.3Å; N700-I702 VanDerWaalsContact C-N 3.3Å; N700-I702 PolarHBondContact O-N 2.84Å; I702-T704 VanDerWaalsContact C-N 3.33Å; I702-T704 PolarHBondContact O-N 3.44Å; I702-I705 PolarHBondContact O-N 3.46Å; I702-H706 WeakPolarHBondContact O-CB 3.44Å; I702-H706 PolarHBondContact O-N 3.31Å
703	K	90.2	Very high	82.2	Confident	90 Å²	90	37.9 Å²	37.9	39%	0.391	19%	0.189	S	C	.	.	H	α-helix	trans	-59.3	-43.6	175.4	-79	173.4	177.7	169.4	0	111.8	L556 Q699 N700 H706 E707	L556-K703 HydrophobicContact CD1-CG 4.1Å; L556-K703 HydrophobicContact CD2-CG 3.83Å; Q699-K703 HydrophobicContact CG-CD 4.38Å; Q699-K703 WeakPolarHBondContact O-CB 3.46Å; Q699-K703 WeakPolarHBondContact O-CG 2.92Å; Q699-K703 PolarHBondContact O-N 2.73Å; N700-K703 PolarHBondContact O-N 2.98Å; K703-H706 WeakPolarHBondContact O-CB 3.39Å; K703-H706 PolarHBondContact O-N 3.36Å; K703-E707 PolarHBondContact O-N 3.18Å
704	T	87.6	Confident	80.2	Confident	62 Å²	62	46.8 Å²	46.8	38%	0.38	22%	0.219	S	C	.	.	H	α-helix	trans	-66.3	-40.6	177.6	42.8	0	0	0	0	112.1	M646 N700 S701 I702 H706 E707 L708	M646-T704 WeakPolarHBondContact CE-OG1 3.42Å; N700-T704 WeakPolarHBondContact O-CG2 3.28Å; N700-T704 PolarHBondContact O-N 3.14Å; N700-T704 PolarHBondContact O-OG1 3Å; S701-T704 WeakPolarHBondContact CA-OG1 3.46Å; S701-T704 PolarHBondContact O-OG1 3.04Å; I702-T704 VanDerWaalsContact C-N 3.33Å; I702-T704 PolarHBondContact O-N 3.44Å; T704-H706 VanDerWaalsContact C-N 3.31Å; T704-H706 PolarHBondContact O-N 3.37Å; T704-E707 PolarHBondContact O-N 3.11Å; T704-L708 WeakPolarHBondContact O-CG 2.9Å; T704-L708 PolarHBondContact O-N 3.06Å
705	I	85.5	Confident	78.1	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-44.4	170.2	-66.2	166.7	0	0	0	110.4	L643 M646 L650 S701 I702 E707 L708 T709	L643-I705 HydrophobicContact CD1-CG2 4.15Å; M646-I705 HydrophobicContact CB-CD1 4.33Å; M646-I705 HydrophobicContact CB-CG1 3.79Å; L650-I705 HydrophobicContact CD2-CD1 4.11Å; S701-I705 WeakPolarHBondContact O-CD1 3.37Å; S701-I705 VanDerWaalsContact O-CG1 3.29Å; S701-I705 WeakPolarHBondContact O-CG1 3.44Å; S701-I705 PolarHBondContact O-N 3.24Å; I702-I705 PolarHBondContact O-N 3.46Å; I705-E707 PolarHBondContact O-N 3.31Å; I705-L708 PolarHBondContact O-N 3.46Å; I705-T709 WeakPolarHBondContact O-CG2 3.48Å; I705-T709 PolarHBondContact O-N 3.1Å
706	H	86	Confident	75.8	Confident	27 Å²	27	60.6 Å²	60.6	13%	0.125	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-45.2	177.8	-173.2	70.1	0	0	0	112.6	S549 C552 I702 K703 T704 L708 T709 K710	S549-H706 PolarHBondContact OG-CE1 2.88Å; C552-H706 HydrophobicContact CB-CB 3.88Å; I702-H706 WeakPolarHBondContact O-CB 3.44Å; I702-H706 PolarHBondContact O-N 3.31Å; K703-H706 WeakPolarHBondContact O-CB 3.39Å; K703-H706 PolarHBondContact O-N 3.36Å; T704-H706 VanDerWaalsContact C-N 3.31Å; T704-H706 PolarHBondContact O-N 3.37Å; H706-L708 PolarHBondContact O-N 3.33Å; H706-T709 WeakPolarHBondContact CA-OG1 3.49Å; H706-T709 PolarHBondContact O-N 3.35Å; H706-T709 VanDerWaalsContact O-N 3.15Å; H706-T709 PolarHBondContact O-OG1 3.35Å; H706-K710 WeakPolarHBondContact O-CB 3.29Å; H706-K710 PolarHBondContact O-N 3.33Å
707	E	84.6	Confident	75.1	Confident	90 Å²	90	58.4 Å²	58.4	42%	0.421	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-39.6	176.5	-73.3	-57.8	141.2	0	0	112.4	K703 T704 I705 T709 K710 N711	K703-E707 PolarHBondContact O-N 3.18Å; T704-E707 PolarHBondContact O-N 3.11Å; I705-E707 PolarHBondContact O-N 3.31Å; E707-T709 VanDerWaalsContact C-N 3.29Å; E707-T709 PolarHBondContact O-N 3.23Å; E707-K710 PolarHBondContact O-N 3.44Å; E707-N711 PolarHBondContact O-N 3.47Å; E707-N711 PolarHBondContact O-ND2 2.89Å
708	L	78.8	Confident	74.3	Confident	38 Å²	38	60.2 Å²	60.2	20%	0.199	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-41.2	172.9	-71.5	174.3	0	0	0	111.4	L639 K642 M646 T704 I705 H706 E712	L639-L708 HydrophobicContact CD1-CD2 4.44Å; K642-L708 HydrophobicContact CB-CD1 4.28Å; K642-L708 HydrophobicContact CD-CD2 4.44Å; M646-L708 HydrophobicContact CG-CD1 4.1Å; T704-L708 WeakPolarHBondContact O-CG 2.9Å; T704-L708 PolarHBondContact O-N 3.06Å; I705-L708 PolarHBondContact O-N 3.46Å; H706-L708 PolarHBondContact O-N 3.33Å; L708-E712 PolarHBondContact O-N 3.4Å
709	T	73.8	Confident	73.4	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-70	-36.8	177.9	60.5	0	0	0	0	113	F545 L548 I705 H706 E707 F713	F545-T709 HydrophobicContact CD1-CG2 4.3Å; L548-T709 HydrophobicContact CB-CG2 4.43Å; L548-T709 HydrophobicContact CD2-CG2 3.23Å; L548-T709 HydrophobicContact CG-CG2 3.7Å; I705-T709 WeakPolarHBondContact O-CG2 3.48Å; I705-T709 PolarHBondContact O-N 3.1Å; H706-T709 WeakPolarHBondContact CA-OG1 3.49Å; H706-T709 PolarHBondContact O-N 3.35Å; H706-T709 VanDerWaalsContact O-N 3.15Å; H706-T709 PolarHBondContact O-OG1 3.35Å; E707-T709 VanDerWaalsContact C-N 3.29Å; E707-T709 PolarHBondContact O-N 3.23Å; T709-F713 WeakPolarHBondContact O-CD2 3.37Å; T709-F713 PolarHBondContact O-N 3.04Å; T709-F713 VanDerWaalsContact O-N 3.15Å
710	K	71.6	Confident	72.3	Confident	94 Å²	94	66 Å²	66	41%	0.409	30%	0.304	S	S	.	.	H	α-helix	trans	-70.8	-34.7	-179.9	-172.7	-178.9	176.1	-173.4	0	112.8	H706 E707 E712 F713 R714	H706-K710 WeakPolarHBondContact O-CB 3.29Å; H706-K710 PolarHBondContact O-N 3.33Å; E707-K710 PolarHBondContact O-N 3.44Å; K710-E712 VanDerWaalsContact C-N 3.34Å; K710-F713 VanDerWaalsContact O-CB 3.29Å; K710-F713 WeakPolarHBondContact O-CB 3.22Å; K710-F713 PolarHBondContact O-N 3.47Å; K710-R714 PolarHBondContact O-N 3.17Å
711	N	59.5	Low	71.1	Confident	79 Å²	79	67.4 Å²	67.4	42%	0.422	31%	0.308	S	S	.	.	H	α-helix	trans	-67.9	-35.7	177.1	-74.3	-25.5	0	0	0	112.1	E707 R714 K715	E707-N711 PolarHBondContact O-N 3.47Å; E707-N711 PolarHBondContact O-ND2 2.89Å; N711-R714 PolarHBondContact O-N 3.35Å; N711-K715 PolarHBondContact O-N 3.34Å
712	E	58.4	Low	69.8	Low	14 Å²	14	71.2 Å²	71.2	7%	0.065	32%	0.324	C	S	.	.	H	α-helix	trans	-72.5	-33.2	174.1	-70	-61.3	128.7	0	0	112.1	F545 L639 L708 K710 R714 K715 Q716	F545-E712 HydrophobicContact CZ-CB 4.43Å; L639-E712 HydrophobicContact CD1-CG 4.1Å; L639-E712 HydrophobicContact CD2-CG 3.67Å; L708-E712 PolarHBondContact O-N 3.4Å; K710-E712 VanDerWaalsContact C-N 3.34Å; E712-R714 PolarHBondContact O-N 3.19Å; E712-K715 PolarHBondContact O-N 3.48Å; E712-K715 IonicContact OE1-NZ 2.68Å; E712-K715 PolarHBondContact OE1-NZ 3.37Å; E712-Q716 PolarHBondContact O-N 3.39Å
713	F	49.5	Very low	68.4	Low	75 Å²	75	76.3 Å²	76.3	33%	0.329	35%	0.347	S	S	.	.	H	α-helix	trans	-59.1	-24.8	168.6	-95.8	-63.6	0	0	0	115.1	F545 Q546 T709 K710	F545-F713 VanDerWaalsContact C-CZ 3.4Å; F545-F713 HydrophobicContact CB-CD2 4Å; F545-F713 HydrophobicContact CB-CE1 4.38Å; F545-F713 HydrophobicContact CB-CE2 3.49Å; F545-F713 VanDerWaalsContact CB-CE2 3.49Å; F545-F713 HydrophobicContact CB-CZ 3.75Å; F545-F713 WeakPolarHBondContact O-CE2 3.43Å; Q546-F713 HydrophobicContact CB-CE1 4.49Å; Q546-F713 HydrophobicContact CB-CZ 3.76Å; Q546-F713 HydrophobicContact CG-CZ 4.4Å; T709-F713 WeakPolarHBondContact O-CD2 3.37Å; T709-F713 PolarHBondContact O-N 3.04Å; T709-F713 VanDerWaalsContact O-N 3.15Å; K710-F713 VanDerWaalsContact O-CB 3.29Å; K710-F713 WeakPolarHBondContact O-CB 3.22Å; K710-F713 PolarHBondContact O-N 3.47Å
714	R	45.3	Very low	66.7	Low	199 Å²	199	75.2 Å²	75.2	75%	0.751	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-16.9	175.1	-85.7	-176.2	173.9	176.4	-3.1	113	K710 N711 E712	K710-R714 PolarHBondContact O-N 3.17Å; N711-R714 PolarHBondContact O-N 3.35Å; E712-R714 PolarHBondContact O-N 3.19Å
715	K	45.4	Very low	64.9	Low	139 Å²	139	76.3 Å²	76.3	60%	0.604	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-30.7	178.6	-70.5	-177.6	-172.9	164	0	112.6	N711 E712	N711-K715 PolarHBondContact O-N 3.34Å; E712-K715 PolarHBondContact O-N 3.48Å; E712-K715 IonicContact OE1-NZ 2.68Å; E712-K715 PolarHBondContact OE1-NZ 3.37Å
716	Q	40.9	Very low	63.1	Low	158 Å²	158	83.3 Å²	83.3	74%	0.738	37%	0.371	S	S	*	.			trans	-73.8	0	164.2	-69.1	-173.2	-14.6	0	0	110.1	E712	E712-Q716 PolarHBondContact O-N 3.39Å

Retrieved 716 of 716 residues in 786.1 ms (Link to these results)

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