X5DNZ1_HUMAN Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession X5DNZ1, Species HUMAN (Homo sapiens, Human), Gene RPS6KA2, Length 247 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	44.8	Very low	42.6	Very low	32 Å²	32	43.2 Å²	43.2	16%	0.158	23%	0.23	C	C	.	.				0	133.4	0	-179.2	-177.1	74.4	0	0	109.6	I3 L6 V42	M1-I3 PolarHBondContact O-N 2.99Å; M1-L6 HydrophobicContact CE-CB 3.65Å; M1-L6 HydrophobicContact CE-CD1 3.6Å; M1-L6 HydrophobicContact CE-CD2 3.8Å; M1-L6 HydrophobicContact CE-CG 3.86Å; M1-L6 HydrophobicContact SD-CB 3.85Å; M1-L6 HydrophobicContact SD-CD1 3.36Å; M1-L6 WeakPolarHBondContact SD-CD1 3.27Å; M1-L6 HydrophobicContact SD-CG 4.14Å; M1-V42 PolarHBondContact N-O 2.8Å
2	P	40.2	Very low	42.5	Very low	36 Å²	36	45.2 Å²	45.2	23%	0.234	24%	0.235	C	C	.	.			trans	-75.2	112.4	163.4	6	11.3	0	0	0	107.5	A4 Q5 A39	P2-A4 PolarHBondContact O-N 3.45Å; P2-Q5 HydrophobicContact CG-CG 4.34Å; P2-Q5 PolarHBondContact O-N 3.3Å; P2-A39 HydrophobicContact CB-CB 4.07Å; P2-A39 HydrophobicContact CG-CB 3.78Å
3	I	39.3	Very low	42.2	Very low	46 Å²	46	44.3 Å²	44.3	24%	0.236	23%	0.23	C	C	.	.	H	α-helix	trans	-45.8	-32.1	176.7	-66.1	130.7	0	0	0	112.2	M1 Q5 L6 L7 V66 F69	M1-I3 PolarHBondContact O-N 2.99Å; I3-Q5 PolarHBondContact O-N 3.2Å; I3-L6 WeakPolarHBondContact O-CB 3.31Å; I3-L6 PolarHBondContact O-N 3.02Å; I3-L6 VanDerWaalsContact O-N 3.15Å; I3-L7 HydrophobicContact CG2-CD1 3.96Å; I3-L7 HydrophobicContact CG2-CG 4.24Å; I3-L7 WeakPolarHBondContact O-CG 3.39Å; I3-L7 PolarHBondContact O-N 2.89Å; I3-V66 HydrophobicContact CG2-CB 3.78Å; I3-V66 HydrophobicContact CG2-CG2 3.67Å; I3-F69 HydrophobicContact CD1-CD1 4.41Å; I3-F69 HydrophobicContact CD1-CE1 3.26Å; I3-F69 HydrophobicContact CD1-CZ 3.4Å; I3-F69 VanDerWaalsContact CD1-CZ 3.4Å; I3-F69 HydrophobicContact CG1-CE1 3.88Å; I3-F69 HydrophobicContact CG1-CZ 3.94Å
4	A	34.9	Very low	41.9	Very low	64 Å²	64	54.1 Å²	54.1	53%	0.529	27%	0.274	S	S	.	.	H	α-helix	trans	-56.1	-41.7	176	0	0	0	0	0	114	P2 L6 L7 E8	P2-A4 PolarHBondContact O-N 3.45Å; A4-L6 VanDerWaalsContact C-N 3.3Å; A4-L6 PolarHBondContact O-N 2.74Å; A4-L7 PolarHBondContact O-N 2.7Å; A4-E8 WeakPolarHBondContact O-CG 3.43Å; A4-E8 PolarHBondContact O-N 2.66Å
5	Q	39.3	Very low	41.6	Very low	75 Å²	75	51.9 Å²	51.9	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-73.3	-25.6	179.9	-69.7	-176.7	-19.3	0	0	112.6	P2 I3 L9 L181	P2-Q5 HydrophobicContact CG-CG 4.34Å; P2-Q5 PolarHBondContact O-N 3.3Å; I3-Q5 PolarHBondContact O-N 3.2Å; Q5-L9 PolarHBondContact O-N 2.77Å; Q5-L181 HydrophobicContact CB-CD1 3.95Å; Q5-L181 HydrophobicContact CG-CD1 4.36Å
6	L	45.8	Very low	41.2	Very low	12 Å²	12	58.2 Å²	58.2	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-67.6	-46.3	171.7	-166.2	84.4	0	0	0	111.4	M1 I3 A4 E8 L9 W10 L47 V66 L111	M1-L6 HydrophobicContact CE-CB 3.65Å; M1-L6 HydrophobicContact CE-CD1 3.6Å; M1-L6 HydrophobicContact CE-CD2 3.8Å; M1-L6 HydrophobicContact CE-CG 3.86Å; M1-L6 HydrophobicContact SD-CB 3.85Å; M1-L6 HydrophobicContact SD-CD1 3.36Å; M1-L6 WeakPolarHBondContact SD-CD1 3.27Å; M1-L6 HydrophobicContact SD-CG 4.14Å; I3-L6 WeakPolarHBondContact O-CB 3.31Å; I3-L6 PolarHBondContact O-N 3.02Å; I3-L6 VanDerWaalsContact O-N 3.15Å; A4-L6 VanDerWaalsContact C-N 3.3Å; A4-L6 PolarHBondContact O-N 2.74Å; L6-E8 VanDerWaalsContact C-N 3.28Å; L6-E8 PolarHBondContact O-N 2.97Å; L6-L9 WeakPolarHBondContact O-CB 3.41Å; L6-L9 PolarHBondContact O-N 3.16Å; L6-L9 VanDerWaalsContact O-N 3.11Å; L6-W10 PolarHBondContact O-N 2.95Å; L6-W10 VanDerWaalsContact O-N 3.1Å; L6-L47 HydrophobicContact CD1-CD2 4.42Å; L6-L47 HydrophobicContact CD2-CD1 4.29Å; L6-L47 HydrophobicContact CD2-CD2 4.12Å; L6-V66 HydrophobicContact CD2-CG2 3.69Å; L6-L111 HydrophobicContact CD1-CD1 3.14Å; L6-L111 HydrophobicContact CD1-CD2 3.41Å; L6-L111 VanDerWaalsContact CD1-CD2 3.41Å; L6-L111 HydrophobicContact CD1-CG 3.8Å; L6-L111 HydrophobicContact CD2-CD2 4.18Å; L6-L111 HydrophobicContact CG-CD2 4.07Å
7	L	45	Very low	40.7	Very low	20 Å²	20	58.2 Å²	58.2	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-37.6	177.7	-64.9	174.2	0	0	0	110.2	I3 A4 L9 W10 K11 I64 V66	I3-L7 HydrophobicContact CG2-CD1 3.96Å; I3-L7 HydrophobicContact CG2-CG 4.24Å; I3-L7 WeakPolarHBondContact O-CG 3.39Å; I3-L7 PolarHBondContact O-N 2.89Å; A4-L7 PolarHBondContact O-N 2.7Å; L7-L9 VanDerWaalsContact C-N 3.29Å; L7-L9 PolarHBondContact O-N 3.27Å; L7-W10 CarbonylContact O-C 3.6Å; L7-W10 PolarHBondContact O-N 2.91Å; L7-K11 VanDerWaalsContact O-CB 3.3Å; L7-K11 WeakPolarHBondContact O-CB 3.19Å; L7-K11 WeakPolarHBondContact O-CG 3.29Å; L7-K11 PolarHBondContact O-N 3.31Å; L7-I64 HydrophobicContact CD2-CB 3.8Å; L7-I64 HydrophobicContact CD2-CG2 3.27Å; L7-I64 WeakPolarHBondContact CD2-O 3.41Å; L7-V66 HydrophobicContact CD2-CG2 4.18Å
8	E	41.1	Very low	40.1	Very low	88 Å²	88	59.9 Å²	59.9	41%	0.411	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-28	172.5	-71.3	-57.4	136	0	0	114.7	A4 L6 K11 K12	A4-E8 WeakPolarHBondContact O-CG 3.43Å; A4-E8 PolarHBondContact O-N 2.66Å; L6-E8 VanDerWaalsContact C-N 3.28Å; L6-E8 PolarHBondContact O-N 2.97Å; E8-K11 VanDerWaalsContact OE1-CD 3.31Å; E8-K11 WeakPolarHBondContact OE1-CD 3.48Å; E8-K11 WeakPolarHBondContact OE1-CE 3.41Å; E8-K11 IonicContact OE1-NZ 2.7Å; E8-K11 PolarHBondContact OE1-NZ 3.37Å; E8-K12 WeakPolarHBondContact O-CG 3.12Å
9	L	43.4	Very low	39.6	Very low	14 Å²	14	66.3 Å²	66.3	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-76.1	-44.1	174.2	-172.2	119	0	0	0	111	Q5 L6 L7 K11 K12 I13 V180 L181 V186	Q5-L9 PolarHBondContact O-N 2.77Å; L6-L9 WeakPolarHBondContact O-CB 3.41Å; L6-L9 PolarHBondContact O-N 3.16Å; L6-L9 VanDerWaalsContact O-N 3.11Å; L7-L9 VanDerWaalsContact C-N 3.29Å; L7-L9 PolarHBondContact O-N 3.27Å; L9-K11 PolarHBondContact O-N 2.94Å; L9-K12 PolarHBondContact O-N 3.35Å; L9-I13 HydrophobicContact CD2-CD1 4.42Å; L9-V180 HydrophobicContact CD1-CG1 3.56Å; L9-L181 HydrophobicContact CB-CD2 4.39Å; L9-L181 HydrophobicContact CD1-CD2 4.11Å; L9-V186 HydrophobicContact CD1-CG1 4.18Å; L9-V186 HydrophobicContact CD1-CG2 3.87Å
10	W	48.3	Very low	39.2	Very low	28 Å²	28	66.7 Å²	66.7	11%	0.106	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-28.2	174.2	-153	-124.8	0	0	0	111.2	L6 L7 K12 I13 I64 L114 M118	L6-W10 PolarHBondContact O-N 2.95Å; L6-W10 VanDerWaalsContact O-N 3.1Å; L7-W10 CarbonylContact O-C 3.6Å; L7-W10 PolarHBondContact O-N 2.91Å; W10-K12 PolarHBondContact O-N 3.11Å; W10-I13 HydrophobicContact CE3-CD1 4.45Å; W10-I64 HydrophobicContact CB-CD1 3.76Å; W10-I64 HydrophobicContact CB-CG2 4.48Å; W10-I64 VanDerWaalsContact CD1-CG2 3.43Å; W10-I64 HydrophobicContact CG-CD1 3.63Å; W10-I64 HydrophobicContact CG-CG2 4.25Å; W10-L114 HydrophobicContact CE3-CD2 4.11Å; W10-L114 HydrophobicContact CH2-CD1 3.38Å; W10-L114 HydrophobicContact CH2-CD2 3.3Å; W10-L114 HydrophobicContact CH2-CG 3.13Å; W10-L114 HydrophobicContact CZ2-CD1 4.01Å; W10-L114 HydrophobicContact CZ2-CD2 3.95Å; W10-L114 HydrophobicContact CZ2-CG 4.09Å; W10-L114 HydrophobicContact CZ3-CD1 4.18Å; W10-L114 HydrophobicContact CZ3-CD2 3.36Å; W10-L114 HydrophobicContact CZ3-CG 3.4Å; W10-M118 HydrophobicContact CE3-CE 3.88Å; W10-M118 HydrophobicContact CE3-SD 4.3Å; W10-M118 HydrophobicContact CH2-CE 3.22Å; W10-M118 HydrophobicContact CH2-CG 3.73Å; W10-M118 HydrophobicContact CH2-SD 2.99Å; W10-M118 WeakPolarHBondContact CH2-SD 3.38Å; W10-M118 HydrophobicContact CZ2-CE 4.27Å; W10-M118 HydrophobicContact CZ2-CG 4.39Å; W10-M118 HydrophobicContact CZ2-SD 3.56Å; W10-M118 VanDerWaalsContact CZ2-SD 3.56Å; W10-M118 HydrophobicContact CZ3-CE 3.01Å; W10-M118 HydrophobicContact CZ3-CG 4.49Å; W10-M118 HydrophobicContact CZ3-SD 3.48Å; W10-M118 WeakPolarHBondContact CZ3-SD 3.49Å
11	K	46.1	Very low	38.8	Very low	60 Å²	60	73.1 Å²	73.1	26%	0.261	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.4	176.5	-81.9	173.6	-156.7	-172.7	0	115.3	L7 E8 L9 P61	L7-K11 VanDerWaalsContact O-CB 3.3Å; L7-K11 WeakPolarHBondContact O-CB 3.19Å; L7-K11 WeakPolarHBondContact O-CG 3.29Å; L7-K11 PolarHBondContact O-N 3.31Å; E8-K11 VanDerWaalsContact OE1-CD 3.31Å; E8-K11 WeakPolarHBondContact OE1-CD 3.48Å; E8-K11 WeakPolarHBondContact OE1-CE 3.41Å; E8-K11 IonicContact OE1-NZ 2.7Å; E8-K11 PolarHBondContact OE1-NZ 3.37Å; L9-K11 PolarHBondContact O-N 2.94Å; K11-P61 HydrophobicContact CB-CB 3.84Å; K11-P61 VanDerWaalsContact CG-C 3.46Å; K11-P61 HydrophobicContact CG-CB 3.7Å; K11-P61 WeakPolarHBondContact CG-O 3.2Å; K11-P61 WeakPolarHBondContact O-CB 3.15Å; K11-P61 WeakPolarHBondContact O-CG 3.49Å
12	K	41.8	Very low	38.2	Very low	67 Å²	67	76.3 Å²	76.3	29%	0.291	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-3.4	-168.6	-72.4	176	176.7	-177.2	0	114.2	E8 L9 W10	E8-K12 WeakPolarHBondContact O-CG 3.12Å; L9-K12 PolarHBondContact O-N 3.35Å; W10-K12 PolarHBondContact O-N 3.11Å
13	I	38.6	Very low	37.7	Very low	34 Å²	34	80.8 Å²	80.8	17%	0.174	41%	0.414	C	S	.	.	S	Bend	trans	-101.1	6	-168.1	-59.8	171.7	0	0	0	113	L9 W10 V15 L115 M118 W185	L9-I13 HydrophobicContact CD2-CD1 4.42Å; W10-I13 HydrophobicContact CE3-CD1 4.45Å; I13-V15 VanDerWaalsContact C-N 3.3Å; I13-V15 HydrophobicContact CB-CG2 3.95Å; I13-V15 HydrophobicContact CG2-CG2 3.69Å; I13-V15 PolarHBondContact O-N 3.16Å; I13-L115 HydrophobicContact CD1-CD1 4.1Å; I13-M118 HydrophobicContact CD1-CE 3.75Å; I13-M118 HydrophobicContact CG2-CE 3.74Å; I13-M118 HydrophobicContact CG2-SD 3.78Å; I13-W185 HydrophobicContact CD1-CH2 3.86Å; I13-W185 HydrophobicContact CD1-CZ3 4.14Å; I13-W185 HydrophobicContact CG1-CH2 3.97Å; I13-W185 HydrophobicContact CG1-CZ3 4.48Å
14	E	37.7	Very low	37.4	Very low	181 Å²	181	88.3 Å²	88.3	85%	0.846	45%	0.448	S	S	*	.			trans	39.8	57.3	178.7	-78.9	-173.7	169.6	0	0	112.6	E16	E14-E16 PolarHBondContact O-N 3.2Å
15	V	38.3	Very low	37.6	Very low	22 Å²	22	93.9 Å²	93.9	13%	0.133	46%	0.463	C	S	.	.			trans	-90.9	108.5	-177.9	-170.7	0	0	0	0	108	I13 Y54 M118	I13-V15 VanDerWaalsContact C-N 3.3Å; I13-V15 HydrophobicContact CB-CG2 3.95Å; I13-V15 HydrophobicContact CG2-CG2 3.69Å; I13-V15 PolarHBondContact O-N 3.16Å; V15-Y54 PolarHBondContact O-OH 2.96Å; V15-Y54 VanDerWaalsContact O-OH 3.12Å; V15-M118 HydrophobicContact CB-SD 4.44Å; V15-M118 HydrophobicContact CG1-SD 4.26Å; V15-M118 HydrophobicContact CG2-SD 3.31Å; V15-M118 WeakPolarHBondContact CG2-SD 3.35Å
16	E	34.1	Very low	37.4	Very low	152 Å²	152	97.7 Å²	97.7	71%	0.71	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-51	132.3	166.3	-77.6	-145	157.3	0	0	110	E14 M18	E14-E16 PolarHBondContact O-N 3.2Å; E16-M18 PolarHBondContact O-N 3.14Å
17	P	32.8	Very low	37.1	Very low	58 Å²	58	101.5 Å²	101.5	38%	0.377	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-56.4	127.9	-172.1	20.6	-30.5	0	0	0	110.2	E19 Y54	P17-E19 PolarHBondContact O-N 3.06Å; P17-Y54 HydrophobicContact CB-CD2 4.39Å; P17-Y54 HydrophobicContact CB-CE2 4.28Å
18	M	30.6	Very low	36.3	Very low	90 Å²	90	108.5 Å²	108.5	44%	0.443	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-69.3	116.2	164.9	-174	176.4	-69.1	0	0	106.1	E16 I20 V202 K206	E16-M18 PolarHBondContact O-N 3.14Å; M18-I20 HydrophobicContact CG-CG1 4.33Å; M18-I20 WeakPolarHBondContact O-CG1 3.43Å; M18-I20 PolarHBondContact O-N 3.45Å; M18-V202 HydrophobicContact CG-CG1 4.18Å; M18-V202 HydrophobicContact SD-CG1 4.26Å; M18-K206 VanDerWaalsContact SD-CE 3.51Å; M18-K206 HydrophobicContact SD-CG 4.44Å
19	E	30.1	Very low	36	Very low	181 Å²	181	111.9 Å²	111.9	85%	0.846	56%	0.563	S	S	*	*			trans	-56.1	113.3	172.9	-71.8	-179.3	175.4	0	0	108.6	P17 K206	P17-E19 PolarHBondContact O-N 3.06Å; E19-K206 PolarHBondContact O-NZ 3.06Å
20	I	32.6	Very low	35.5	Very low	74 Å²	74	118.5 Å²	118.5	38%	0.379	60%	0.599	S	S	.	*			trans	-126.1	108.9	172.2	-60.1	169.9	0	0	0	104.3	M18 T22 L53	M18-I20 HydrophobicContact CG-CG1 4.33Å; M18-I20 WeakPolarHBondContact O-CG1 3.43Å; M18-I20 PolarHBondContact O-N 3.45Å; I20-T22 HydrophobicContact CG2-CG2 4.32Å; I20-T22 PolarHBondContact O-N 3.35Å; I20-L53 HydrophobicContact CD1-CD2 4.39Å
21	E	30.1	Very low	35.1	Very low	201 Å²	201	123.4 Å²	123.4	94%	0.939	63%	0.631	S	S	*	*			trans	-53.8	111.3	165.4	-71.1	177.2	156.9	0	0	107.6
22	T	32.6	Very low	34.5	Very low	99 Å²	99	122.5 Å²	122.5	61%	0.607	64%	0.639	S	S	*	*			trans	-105.4	125.9	175.9	39.5	0	0	0	0	108	I20	I20-T22 HydrophobicContact CG2-CG2 4.32Å; I20-T22 PolarHBondContact O-N 3.35Å
23	T	28.6	Very low	34	Very low	131 Å²	131	125.7 Å²	125.7	80%	0.804	67%	0.667	S	S	*	*			trans	-85.2	129.8	166.3	49	0	0	0	0	108.5	E25	T23-E25 VanDerWaalsContact C-N 3.27Å; T23-E25 PolarHBondContact O-N 2.76Å
24	E	33.8	Very low	34	Very low	203 Å²	203	128.6 Å²	128.6	95%	0.949	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	17.5	-161.9	-83.1	-169.3	146.9	0	0	119.5
25	E	39.6	Very low	33.7	Very low	182 Å²	182	125.5 Å²	125.5	85%	0.85	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	-2.6	-168.6	-78.6	-174.6	158.4	0	0	118.8	T23	T23-E25 VanDerWaalsContact C-N 3.27Å; T23-E25 PolarHBondContact O-N 2.76Å
26	D	34.4	Very low	33.5	Very low	154 Å²	154	134.1 Å²	134.1	82%	0.824	73%	0.728	S	S	*	*	S	Bend	trans	-116.5	32.2	-172.1	-77	-33.9	0	0	0	116.8
27	L	38.6	Very low	33.4	Very low	93 Å²	93	134.4 Å²	134.4	49%	0.487	73%	0.734	S	S	.	*			trans	-125.2	69.6	179.1	-68.7	174	0	0	0	113.2
28	N	29.7	Very low	33.5	Very low	166 Å²	166	136 Å²	136	89%	0.888	74%	0.743	S	S	*	*			trans	-150.1	95.2	159.7	-89.7	-35.5	0	0	0	112.2
29	L	35.1	Very low	33.8	Very low	159 Å²	159	134.8 Å²	134.8	83%	0.832	75%	0.747	S	S	*	*			trans	-129.3	107.4	150.1	-98.2	158.6	0	0	0	107.7	V31	L29-V31 PolarHBondContact O-N 3.38Å
30	D	32.2	Very low	34.7	Very low	154 Å²	154	130.2 Å²	130.2	82%	0.824	73%	0.726	S	S	*	*			trans	-65.6	105.1	174.3	-173.2	18.8	0	0	0	108.9	G32	D30-G32 PolarHBondContact O-N 3.29Å
31	V	38.9	Very low	36	Very low	131 Å²	131	130.5 Å²	130.5	79%	0.794	73%	0.726	S	S	*	*			trans	-90.9	97.7	170.8	-166	0	0	0	0	106	L29	L29-V31 PolarHBondContact O-N 3.38Å
32	G	33.4	Very low	37.5	Very low	41 Å²	41	122.5 Å²	122.5	42%	0.423	69%	0.69	S	S	.	*			trans	-55.4	169.5	177.5	0	0	0	0	0	113.3	D30 A34	D30-G32 PolarHBondContact O-N 3.29Å; G32-A34 PolarHBondContact O-N 3.35Å
33	P	33	Very low	39.1	Very low	134 Å²	134	118.2 Å²	118.2	87%	0.87	66%	0.664	S	S	*	*			trans	-62.4	110.8	-168.7	25	-32.8	0	0	0	111.1	T35	P33-T35 PolarHBondContact O-N 3.3Å
34	A	37.3	Very low	41	Very low	95 Å²	95	112.2 Å²	112.2	79%	0.785	63%	0.627	S	S	*	*			trans	-69.8	115.1	175.3	0	0	0	0	0	109.5	G32	G32-A34 PolarHBondContact O-N 3.35Å
35	T	31.4	Very low	42.7	Very low	115 Å²	115	107 Å²	107	71%	0.706	60%	0.599	S	S	*	*			trans	-67.4	136.5	166.1	51.4	0	0	0	0	109.5	P33 D37	P33-T35 PolarHBondContact O-N 3.3Å; T35-D37 PolarHBondContact O-N 3.18Å
36	E	35.2	Very low	44.2	Very low	204 Å²	204	99.1 Å²	99.1	95%	0.953	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	10.6	-160.7	-132.4	165	-179.2	0	0	117.7
37	D	32.3	Very low	45.9	Very low	157 Å²	157	92 Å²	92	84%	0.84	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	10.8	-166.7	-130.2	-2	0	0	0	116.9	T35	T35-D37 PolarHBondContact O-N 3.18Å
38	T	33.4	Very low	47.4	Very low	92 Å²	92	89.8 Å²	89.8	56%	0.564	51%	0.511	S	S	*	.			trans	-136.9	75.9	173.2	58.1	0	0	0	0	111.2	E40	T38-E40 VanDerWaalsContact C-N 3.26Å; T38-E40 PolarHBondContact O-N 3.13Å
39	A	38	Very low	49.3	Very low	64 Å²	64	83.3 Å²	83.3	53%	0.529	48%	0.478	S	S	.	.			trans	-69.9	90.1	166.2	0	0	0	0	0	108.7	P2 E41	P2-A39 HydrophobicContact CB-CB 4.07Å; P2-A39 HydrophobicContact CG-CB 3.78Å; A39-E41 PolarHBondContact O-N 3.32Å
40	E	49	Very low	50.8	Low	85 Å²	85	79.2 Å²	79.2	40%	0.397	46%	0.463	S	S	.	.			trans	-58.1	124.6	177.6	-62	-177	157.8	0	0	109.5	T38 V42 Q74 L82	T38-E40 VanDerWaalsContact C-N 3.26Å; T38-E40 PolarHBondContact O-N 3.13Å; E40-V42 PolarHBondContact O-N 2.76Å; E40-Q74 PolarHBondContact OE2-NE2 3.48Å; E40-L82 VanDerWaalsContact OE1-CD1 3.27Å; E40-L82 WeakPolarHBondContact OE1-CD1 3.3Å
41	E	58.4	Low	52.8	Low	81 Å²	81	72.4 Å²	72.4	38%	0.379	43%	0.426	S	S	.	.			trans	-70.1	99.5	178	-76.9	-170.5	154.2	0	0	109.3	A39 L75 P85	A39-E41 PolarHBondContact O-N 3.32Å; E41-L75 HydrophobicContact CB-CB 4.36Å; E41-L75 HydrophobicContact CB-CD1 3.45Å; E41-L75 VanDerWaalsContact CB-CD1 3.45Å; E41-L75 HydrophobicContact CB-CG 3.85Å; E41-L75 HydrophobicContact CG-CD1 4.31Å; E41-L75 VanDerWaalsContact O-CG 3.3Å; E41-L75 WeakPolarHBondContact O-CG 3.31Å; E41-L75 PolarHBondContact O-N 3.19Å; E41-L75 WeakPolarHBondContact OE2-CD1 3.38Å; E41-P85 VanDerWaalsContact CD-CG 3.48Å; E41-P85 HydrophobicContact CG-CG 4.36Å; E41-P85 WeakPolarHBondContact OE1-CG 3.46Å
42	V	63.1	Low	54.5	Low	32 Å²	32	67.1 Å²	67.1	19%	0.194	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125	170.2	179.8	0	0	0	0	108.6	M1 E40 A72 Q74	M1-V42 PolarHBondContact N-O 2.8Å; E40-V42 PolarHBondContact O-N 2.76Å; V42-A72 HydrophobicContact CG1-CB 4.13Å; V42-Q74 HydrophobicContact CG2-CB 4.44Å; V42-Q74 HydrophobicContact CG2-CG 4.25Å
43	V	65	Low	56.4	Low	10 Å²	10	67.1 Å²	67.1	6%	0.061	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.8	173.6	-166.6	0	0	0	0	108.3	R45 A72 K73 L75 D103 D107	V43-R45 HydrophobicContact CB-CG 4.21Å; V43-R45 HydrophobicContact CG1-CG 3.86Å; V43-A72 CarbonylContact O-C 3.46Å; V43-A72 VanDerWaalsContact O-CA 3.23Å; V43-A72 WeakPolarHBondContact O-CA 3.33Å; V43-K73 PolarHBondContact N-O 2.71Å; V43-K73 PolarHBondContact O-N 2.87Å; V43-L75 HydrophobicContact CG2-CD2 4.37Å; V43-D103 HydrophobicContact CG1-CB 3.82Å; V43-D107 VanDerWaalsContact CG1-OD2 3.26Å; V43-D107 WeakPolarHBondContact CG1-OD2 3.37Å
44	H	69.3	Low	58.2	Low	4 Å²	4	63 Å²	63	2%	0.019	35%	0.351	C	S	.	.			trans	-79	-44.3	-172.2	-167.9	-73.9	0	0	0	111.7	D46 L47 C67 D68 F69 F71 A72 D107	H44-D46 PolarHBondContact CE1-O 2.76Å; H44-D46 VanDerWaalsContact CE1-O 3.31Å; H44-D46 PolarHBondContact ND1-N 3.32Å; H44-D46 PolarHBondContact ND1-O 2.95Å; H44-D46 PolarHBondContact O-N 3.08Å; H44-L47 HydrophobicContact CB-CB 4.22Å; H44-L47 HydrophobicContact CB-CD1 4.46Å; H44-L47 PolarHBondContact ND1-N 3.04Å; H44-L47 VanDerWaalsContact ND1-N 3.2Å; H44-C67 PolarHBondContact NE2-O 2.94Å; H44-D68 PolarHBondContact CE1-O 2.91Å; H44-D68 PolarHBondContact NE2-O 3.33Å; H44-F69 AromaticContact CD2-CD1 3.85Å; H44-F69 AromaticContact CD2-CE1 3.6Å; H44-F71 CarbonylContact O-C 3.56Å; H44-A72 WeakPolarHBondContact O-CA 3.34Å; H44-A72 PolarHBondContact O-N 3.05Å; H44-D107 PolarHBondContact N-OD2 3.38Å
45	R	69.5	Low	60	Low	94 Å²	94	66.2 Å²	66.2	36%	0.355	34%	0.343	S	S	.	.	S	Bend	trans	68.6	-14.5	175	-54.5	176	63.6	-124.5	-10.9	116	V43 F71 D103 D107	V43-R45 HydrophobicContact CB-CG 4.21Å; V43-R45 HydrophobicContact CG1-CG 3.86Å; R45-F71 HydrophobicContact CB-CB 4.49Å; R45-F71 PolarHBondContact NH1-O 3.11Å; R45-D103 WeakPolarHBondContact CD-OD2 3.48Å; R45-D103 HydrophobicContact CG-CB 4.08Å; R45-D103 IonicContact CZ-OD2 3.75Å; R45-D103 IonicContact NE-OD1 3.61Å; R45-D103 IonicContact NE-OD2 3.58Å; R45-D103 PolarHBondContact NE-OD2 2.97Å; R45-D107 PolarHBondContact N-OD1 2.97Å
46	D	70.8	Confident	62.2	Low	17 Å²	17	64 Å²	64	9%	0.091	33%	0.326	C	S	.	.			trans	-130.1	42.1	167.7	-167.5	39.9	0	0	0	111.5	H44 K48 N51 F71	H44-D46 PolarHBondContact CE1-O 2.76Å; H44-D46 VanDerWaalsContact CE1-O 3.31Å; H44-D46 PolarHBondContact ND1-N 3.32Å; H44-D46 PolarHBondContact ND1-O 2.95Å; H44-D46 PolarHBondContact O-N 3.08Å; D46-K48 PolarHBondContact O-N 3.05Å; D46-K48 VanDerWaalsContact O-N 3.16Å; D46-K48 IonicContact OD1-NZ 3.76Å; D46-K48 IonicContact OD2-NZ 3.9Å; D46-K48 PolarHBondContact OD2-NZ 3.04Å; D46-N51 PolarHBondContact O-ND2 2.52Å; D46-N51 VanDerWaalsContact O-ND2 3.1Å; D46-F71 HydrophobicContact CB-CB 4.05Å; D46-F71 HydrophobicContact CB-CD2 3.65Å; D46-F71 HydrophobicContact CB-CG 4.13Å
47	L	70.7	Confident	64.1	Low	3 Å²	3	63.4 Å²	63.4	2%	0.016	32%	0.323	C	S	.	.			trans	-73	111.7	178.8	-164.9	67.4	0	0	0	108.2	L6 H44 I52 V66 D107 S110 L111 Y213	L6-L47 HydrophobicContact CD1-CD2 4.42Å; L6-L47 HydrophobicContact CD2-CD1 4.29Å; L6-L47 HydrophobicContact CD2-CD2 4.12Å; H44-L47 HydrophobicContact CB-CB 4.22Å; H44-L47 HydrophobicContact CB-CD1 4.46Å; H44-L47 PolarHBondContact ND1-N 3.04Å; H44-L47 VanDerWaalsContact ND1-N 3.2Å; L47-I52 HydrophobicContact CD1-CD1 4.34Å; L47-I52 HydrophobicContact CD1-CG1 4.36Å; L47-V66 HydrophobicContact CD1-CG1 3.81Å; L47-D107 HydrophobicContact CD2-CB 4.31Å; L47-S110 WeakPolarHBondContact O-CB 3.12Å; L47-S110 PolarHBondContact O-OG 2.97Å; L47-L111 HydrophobicContact CD2-CD1 4.36Å; L47-L111 HydrophobicContact CD2-CD2 3.82Å; L47-L111 HydrophobicContact CD2-CG 3.85Å; L47-Y213 PolarHBondContact O-OH 3.16Å
48	K	70.1	Confident	66	Low	47 Å²	47	59.7 Å²	59.7	20%	0.204	31%	0.31	C	S	.	.			trans	-138	157.2	178.9	61.7	-173.3	-176.2	-129.6	0	109.7	D46 S50 N51 Y213	D46-K48 PolarHBondContact O-N 3.05Å; D46-K48 VanDerWaalsContact O-N 3.16Å; D46-K48 IonicContact OD1-NZ 3.76Å; D46-K48 IonicContact OD2-NZ 3.9Å; D46-K48 PolarHBondContact OD2-NZ 3.04Å; K48-S50 WeakPolarHBondContact CD-OG 3.34Å; K48-S50 WeakPolarHBondContact CE-OG 3.29Å; K48-S50 WeakPolarHBondContact CG-OG 3.39Å; K48-S50 PolarHBondContact O-N 3.3Å; K48-S50 VanDerWaalsContact O-N 3.17Å; K48-N51 WeakPolarHBondContact CE-ND2 3.12Å; K48-N51 WeakPolarHBondContact CE-OD1 3.13Å; K48-N51 HydrophobicContact CG-CB 4.05Å; K48-N51 WeakPolarHBondContact O-CA 3.45Å; K48-N51 WeakPolarHBondContact O-CB 3.41Å; K48-N51 PolarHBondContact O-N 3.24Å; K48-Y213 HydrophobicContact CB-CD1 3.97Å; K48-Y213 HydrophobicContact CB-CD2 4.25Å; K48-Y213 HydrophobicContact CB-CE1 3.61Å; K48-Y213 HydrophobicContact CB-CE2 3.93Å; K48-Y213 HydrophobicContact CB-CG 4.29Å
49	P	68.6	Low	67.5	Low	30 Å²	30	56.1 Å²	56.1	20%	0.195	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-57.7	-33.2	-176.6	-28	37.4	0	0	0	113.8	N51 I52 L114 M209 Y213	P49-N51 PolarHBondContact O-N 3.14Å; P49-I52 PolarHBondContact O-N 3Å; P49-I52 VanDerWaalsContact O-N 3.11Å; P49-L114 HydrophobicContact CB-CD1 4.09Å; P49-L114 HydrophobicContact CG-CD1 3.97Å; P49-M209 HydrophobicContact CG-CE 3.91Å; P49-M209 HydrophobicContact CG-CG 3.87Å; P49-M209 HydrophobicContact CG-SD 3.82Å; P49-Y213 VanDerWaalsContact CD-CE2 3.42Å; P49-Y213 WeakPolarHBondContact CD-OH 3.42Å; P49-Y213 HydrophobicContact CG-CE2 4.35Å
50	S	67.9	Low	68.9	Low	74 Å²	74	54.3 Å²	54.3	52%	0.517	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-66.8	-15.6	176.3	66.5	0	0	0	0	113.9	K48	K48-S50 WeakPolarHBondContact CD-OG 3.34Å; K48-S50 WeakPolarHBondContact CE-OG 3.29Å; K48-S50 WeakPolarHBondContact CG-OG 3.39Å; K48-S50 PolarHBondContact O-N 3.3Å; K48-S50 VanDerWaalsContact O-N 3.17Å
51	N	73.9	Confident	69.5	Low	11 Å²	11	51.8 Å²	51.8	6%	0.059	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-97.8	9	177.7	-69.9	4	0	0	0	111.8	D46 K48 P49 V66 C67	D46-N51 PolarHBondContact O-ND2 2.52Å; D46-N51 VanDerWaalsContact O-ND2 3.1Å; K48-N51 WeakPolarHBondContact CE-ND2 3.12Å; K48-N51 WeakPolarHBondContact CE-OD1 3.13Å; K48-N51 HydrophobicContact CG-CB 4.05Å; K48-N51 WeakPolarHBondContact O-CA 3.45Å; K48-N51 WeakPolarHBondContact O-CB 3.41Å; K48-N51 PolarHBondContact O-N 3.24Å; P49-N51 PolarHBondContact O-N 3.14Å; N51-V66 CarbonylContact O-C 3.54Å; N51-V66 WeakPolarHBondContact O-CA 3.36Å; N51-C67 WeakPolarHBondContact CB-O 3.41Å; N51-C67 PolarHBondContact O-N 3.44Å
52	I	74.4	Confident	70	Confident	19 Å²	19	54.4 Å²	54.4	10%	0.097	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	107	174.6	-57.4	173.6	0	0	0	107.3	L47 P49 I64 R65 V66 L114	L47-I52 HydrophobicContact CD1-CD1 4.34Å; L47-I52 HydrophobicContact CD1-CG1 4.36Å; P49-I52 PolarHBondContact O-N 3Å; P49-I52 VanDerWaalsContact O-N 3.11Å; I52-I64 HydrophobicContact CG2-CG2 3.63Å; I52-R65 CarbonylContact C-O 3.45Å; I52-R65 WeakPolarHBondContact CA-O 3.23Å; I52-V66 HydrophobicContact CG1-CG2 4.44Å; I52-L114 HydrophobicContact CD1-CD2 3.65Å
53	L	73.6	Confident	70.4	Confident	42 Å²	42	53 Å²	53	22%	0.22	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151.7	-170.3	-60.3	175.9	0	0	0	110.8	I20 I64 R65 C67	I20-L53 HydrophobicContact CD1-CD2 4.39Å; L53-I64 CarbonylContact O-C 3.56Å; L53-I64 WeakPolarHBondContact O-CA 3.33Å; L53-R65 PolarHBondContact N-O 2.99Å; L53-R65 PolarHBondContact O-N 3.01Å; L53-C67 HydrophobicContact CD1-CB 4.39Å
54	Y	70.1	Confident	70.6	Confident	47 Å²	47	52.6 Å²	52.6	18%	0.184	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.3	163.2	-71.4	-82.7	0	0	0	109	V15 P17 D56 S60 S63 I64	V15-Y54 PolarHBondContact O-OH 2.96Å; V15-Y54 VanDerWaalsContact O-OH 3.12Å; P17-Y54 HydrophobicContact CB-CD2 4.39Å; P17-Y54 HydrophobicContact CB-CE2 4.28Å; Y54-D56 WeakPolarHBondContact CB-O 3.27Å; Y54-D56 PolarHBondContact O-N 2.86Å; Y54-S60 WeakPolarHBondContact CE1-O 3.42Å; Y54-S63 WeakPolarHBondContact CD1-OG 3.09Å; Y54-I64 HydrophobicContact CD1-CG1 3.65Å; Y54-I64 HydrophobicContact CE1-CD1 3.98Å; Y54-I64 HydrophobicContact CE1-CG1 3.29Å
55	R	76.3	Confident	70.6	Confident	163 Å²	163	56.5 Å²	56.5	62%	0.615	28%	0.282	S	S	*	.	S	Bend	trans	-67.5	-27.6	175.3	178.6	-170.8	178.9	-151.7	1.5	111.5	S63 R65	R55-S63 VanDerWaalsContact CB-O 3.25Å; R55-S63 WeakPolarHBondContact CB-O 3.34Å; R55-S63 PolarHBondContact N-O 3.12Å; R55-R65 HydrophobicContact CB-CG 4.27Å
56	D	76.3	Confident	70.7	Confident	67 Å²	67	52.7 Å²	52.7	36%	0.358	27%	0.269	S	S	.	.	S	Bend	trans	-148.6	169.7	-174.9	54	52.2	0	0	0	110.9	Y54 S58 S63	Y54-D56 WeakPolarHBondContact CB-O 3.27Å; Y54-D56 PolarHBondContact O-N 2.86Å; D56-S58 PolarHBondContact O-N 3.18Å; D56-S58 WeakPolarHBondContact OD1-CB 3.25Å; D56-S58 PolarHBondContact OD1-N 2.97Å; D56-S58 VanDerWaalsContact OD1-N 3.16Å; D56-S58 PolarHBondContact OD1-OG 3.38Å; D56-S63 VanDerWaalsContact CG-CB 3.46Å; D56-S63 WeakPolarHBondContact OD1-CB 3.39Å; D56-S63 PolarHBondContact OD1-OG 3.32Å; D56-S63 VanDerWaalsContact OD2-CB 3.29Å; D56-S63 WeakPolarHBondContact OD2-CB 3.32Å
57	E	75.8	Confident	70.8	Confident	192 Å²	192	53.1 Å²	53.1	90%	0.897	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	5.8	-179	-61.5	178.6	174.4	0	0	113.6	G59	E57-G59 PolarHBondContact O-N 3.4Å
58	S	72.3	Confident	70.8	Confident	79 Å²	79	56.5 Å²	56.5	55%	0.552	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.8	-175.5	69.2	0	0	0	0	113.2	D56 S60	D56-S58 PolarHBondContact O-N 3.18Å; D56-S58 WeakPolarHBondContact OD1-CB 3.25Å; D56-S58 PolarHBondContact OD1-N 2.97Å; D56-S58 VanDerWaalsContact OD1-N 3.16Å; D56-S58 PolarHBondContact OD1-OG 3.38Å; S58-S60 PolarHBondContact O-N 3.06Å; S58-S60 WeakPolarHBondContact OG-CB 3.16Å; S58-S60 PolarHBondContact OG-N 2.97Å
59	G	63.7	Low	70.7	Confident	18 Å²	18	57.9 Å²	57.9	19%	0.186	30%	0.297	C	S	.	.			trans	62.1	7.7	-167.2	0	0	0	0	0	112.3	E57 P61	E57-G59 PolarHBondContact O-N 3.4Å; G59-P61 WeakPolarHBondContact O-CD 3Å
60	S	68.5	Low	70.8	Confident	25 Å²	25	59.6 Å²	59.6	18%	0.175	32%	0.321	C	S	.	.			trans	-66.4	129.8	178.7	175	0	0	0	0	107.9	Y54 S58 E62 S63	Y54-S60 WeakPolarHBondContact CE1-O 3.42Å; S58-S60 PolarHBondContact O-N 3.06Å; S58-S60 WeakPolarHBondContact OG-CB 3.16Å; S58-S60 PolarHBondContact OG-N 2.97Å; S60-E62 PolarHBondContact O-N 3.2Å; S60-E62 VanDerWaalsContact O-N 3.08Å; S60-E62 WeakPolarHBondContact OG-CB 3.3Å; S60-E62 PolarHBondContact OG-N 3Å; S60-E62 PolarHBondContact OG-OE2 3.2Å; S60-S63 PolarHBondContact O-N 2.97Å; S60-S63 PolarHBondContact O-OG 3.33Å; S60-S63 VanDerWaalsContact O-OG 3.04Å
61	P	62.2	Low	70.8	Confident	33 Å²	33	61.8 Å²	61.8	21%	0.214	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-64.6	-17.4	175	-13.7	27.1	0	0	0	112.7	K11 G59 S63 I64	K11-P61 HydrophobicContact CB-CB 3.84Å; K11-P61 VanDerWaalsContact CG-C 3.46Å; K11-P61 HydrophobicContact CG-CB 3.7Å; K11-P61 WeakPolarHBondContact CG-O 3.2Å; K11-P61 WeakPolarHBondContact O-CB 3.15Å; K11-P61 WeakPolarHBondContact O-CG 3.49Å; G59-P61 WeakPolarHBondContact O-CD 3Å; P61-S63 PolarHBondContact O-N 2.71Å; P61-I64 VanDerWaalsContact CA-CD1 3.45Å; P61-I64 HydrophobicContact CB-CD1 3.79Å; P61-I64 WeakPolarHBondContact O-CD1 3.35Å; P61-I64 VanDerWaalsContact O-CG1 3.27Å; P61-I64 WeakPolarHBondContact O-CG1 3.17Å; P61-I64 PolarHBondContact O-N 2.86Å
62	E	67.8	Low	70.5	Confident	135 Å²	135	62.8 Å²	62.8	63%	0.631	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-69.3	-18.2	172.9	-62.4	139.4	166.9	0	0	113.4	S60 R65	S60-E62 PolarHBondContact O-N 3.2Å; S60-E62 VanDerWaalsContact O-N 3.08Å; S60-E62 WeakPolarHBondContact OG-CB 3.3Å; S60-E62 PolarHBondContact OG-N 3Å; S60-E62 PolarHBondContact OG-OE2 3.2Å; E62-R65 PolarHBondContact O-NH1 3.25Å
63	S	72.8	Confident	70.1	Confident	4 Å²	4	66.7 Å²	66.7	3%	0.028	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-88.3	-6	179.6	83.5	0	0	0	0	112.9	Y54 R55 D56 S60 P61 R65	Y54-S63 WeakPolarHBondContact CD1-OG 3.09Å; R55-S63 VanDerWaalsContact CB-O 3.25Å; R55-S63 WeakPolarHBondContact CB-O 3.34Å; R55-S63 PolarHBondContact N-O 3.12Å; D56-S63 VanDerWaalsContact CG-CB 3.46Å; D56-S63 WeakPolarHBondContact OD1-CB 3.39Å; D56-S63 PolarHBondContact OD1-OG 3.32Å; D56-S63 VanDerWaalsContact OD2-CB 3.29Å; D56-S63 WeakPolarHBondContact OD2-CB 3.32Å; S60-S63 PolarHBondContact O-N 2.97Å; S60-S63 PolarHBondContact O-OG 3.33Å; S60-S63 VanDerWaalsContact O-OG 3.04Å; P61-S63 PolarHBondContact O-N 2.71Å; S63-R65 VanDerWaalsContact C-NH1 3.33Å; S63-R65 PolarHBondContact O-N 3.1Å; S63-R65 PolarHBondContact O-NH1 3.3Å
64	I	69.1	Low	69.8	Low	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	134.5	176.3	-54.8	157.5	0	0	0	110.8	L7 W10 I52 L53 Y54 P61	L7-I64 HydrophobicContact CD2-CB 3.8Å; L7-I64 HydrophobicContact CD2-CG2 3.27Å; L7-I64 WeakPolarHBondContact CD2-O 3.41Å; W10-I64 HydrophobicContact CB-CD1 3.76Å; W10-I64 HydrophobicContact CB-CG2 4.48Å; W10-I64 VanDerWaalsContact CD1-CG2 3.43Å; W10-I64 HydrophobicContact CG-CD1 3.63Å; W10-I64 HydrophobicContact CG-CG2 4.25Å; I52-I64 HydrophobicContact CG2-CG2 3.63Å; L53-I64 CarbonylContact O-C 3.56Å; L53-I64 WeakPolarHBondContact O-CA 3.33Å; Y54-I64 HydrophobicContact CD1-CG1 3.65Å; Y54-I64 HydrophobicContact CE1-CD1 3.98Å; Y54-I64 HydrophobicContact CE1-CG1 3.29Å; P61-I64 VanDerWaalsContact CA-CD1 3.45Å; P61-I64 HydrophobicContact CB-CD1 3.79Å; P61-I64 WeakPolarHBondContact O-CD1 3.35Å; P61-I64 VanDerWaalsContact O-CG1 3.27Å; P61-I64 WeakPolarHBondContact O-CG1 3.17Å; P61-I64 PolarHBondContact O-N 2.86Å
65	R	68.6	Low	69.4	Low	87 Å²	87	65.7 Å²	65.7	33%	0.328	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.1	176.9	-61.4	-63.5	178	-87.4	0.8	110.1	I52 L53 R55 E62 S63	I52-R65 CarbonylContact C-O 3.45Å; I52-R65 WeakPolarHBondContact CA-O 3.23Å; L53-R65 PolarHBondContact N-O 2.99Å; L53-R65 PolarHBondContact O-N 3.01Å; R55-R65 HydrophobicContact CB-CG 4.27Å; E62-R65 PolarHBondContact O-NH1 3.25Å; S63-R65 VanDerWaalsContact C-NH1 3.33Å; S63-R65 PolarHBondContact O-N 3.1Å; S63-R65 PolarHBondContact O-NH1 3.3Å
66	V	71.6	Confident	68.4	Low	13 Å²	13	64.8 Å²	64.8	8%	0.079	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.8	166	-178.5	0	0	0	0	107.5	I3 L6 L7 L47 N51 I52 F69	I3-V66 HydrophobicContact CG2-CB 3.78Å; I3-V66 HydrophobicContact CG2-CG2 3.67Å; L6-V66 HydrophobicContact CD2-CG2 3.69Å; L7-V66 HydrophobicContact CD2-CG2 4.18Å; L47-V66 HydrophobicContact CD1-CG1 3.81Å; N51-V66 CarbonylContact O-C 3.54Å; N51-V66 WeakPolarHBondContact O-CA 3.36Å; I52-V66 HydrophobicContact CG1-CG2 4.44Å; V66-F69 HydrophobicContact CB-CZ 4.2Å; V66-F69 HydrophobicContact CG1-CZ 4.02Å; V66-F69 VanDerWaalsContact O-CE2 3.32Å; V66-F69 WeakPolarHBondContact O-CE2 3.32Å
67	C	71.8	Confident	67.1	Low	26 Å²	26	62.6 Å²	62.6	18%	0.176	33%	0.331	C	S	.	.			trans	-121.2	169.9	-176.8	-59.9	0	0	0	0	110.6	H44 N51 L53	H44-C67 PolarHBondContact NE2-O 2.94Å; N51-C67 WeakPolarHBondContact CB-O 3.41Å; N51-C67 PolarHBondContact O-N 3.44Å; L53-C67 HydrophobicContact CD1-CB 4.39Å
68	D	71.2	Confident	65.6	Low	74 Å²	74	58.1 Å²	58.1	40%	0.396	34%	0.337	S	S	.	.			trans	61.9	70.5	176.6	-170.4	10.6	0	0	0	115.2	H44 G70	H44-D68 PolarHBondContact CE1-O 2.91Å; H44-D68 PolarHBondContact NE2-O 3.33Å; D68-G70 PolarHBondContact O-N 3.46Å; D68-G70 PolarHBondContact OD1-N 3.15Å
69	F	69.1	Low	64.4	Low	77 Å²	77	59.9 Å²	59.9	34%	0.338	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-81.1	16.6	173.9	-67.1	-85	0	0	0	113.6	I3 H44 V66 F71 A72	I3-F69 HydrophobicContact CD1-CD1 4.41Å; I3-F69 HydrophobicContact CD1-CE1 3.26Å; I3-F69 HydrophobicContact CD1-CZ 3.4Å; I3-F69 VanDerWaalsContact CD1-CZ 3.4Å; I3-F69 HydrophobicContact CG1-CE1 3.88Å; I3-F69 HydrophobicContact CG1-CZ 3.94Å; H44-F69 AromaticContact CD2-CD1 3.85Å; H44-F69 AromaticContact CD2-CE1 3.6Å; V66-F69 HydrophobicContact CB-CZ 4.2Å; V66-F69 HydrophobicContact CG1-CZ 4.02Å; V66-F69 VanDerWaalsContact O-CE2 3.32Å; V66-F69 WeakPolarHBondContact O-CE2 3.32Å; F69-F71 PolarHBondContact O-N 3.1Å; F69-F71 VanDerWaalsContact O-N 3.1Å; F69-A72 HydrophobicContact CB-CB 3.84Å; F69-A72 HydrophobicContact CD1-CB 3.72Å; F69-A72 HydrophobicContact CG-CB 4.29Å; F69-A72 VanDerWaalsContact O-CB 3.29Å; F69-A72 WeakPolarHBondContact O-CB 3.37Å; F69-A72 PolarHBondContact O-N 2.84Å
70	G	69.3	Low	63.7	Low	66 Å²	66	61 Å²	61	68%	0.68	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-59.2	-25.9	-175.8	0	0	0	0	0	114.2	D68	D68-G70 PolarHBondContact O-N 3.46Å; D68-G70 PolarHBondContact OD1-N 3.15Å
71	F	68.4	Low	62.6	Low	120 Å²	120	65.1 Å²	65.1	53%	0.526	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-104.4	-2.8	176.6	-62.4	-76.3	0	0	0	114.2	H44 R45 D46 F69	H44-F71 CarbonylContact O-C 3.56Å; R45-F71 HydrophobicContact CB-CB 4.49Å; R45-F71 PolarHBondContact NH1-O 3.11Å; D46-F71 HydrophobicContact CB-CB 4.05Å; D46-F71 HydrophobicContact CB-CD2 3.65Å; D46-F71 HydrophobicContact CB-CG 4.13Å; F69-F71 PolarHBondContact O-N 3.1Å; F69-F71 VanDerWaalsContact O-N 3.1Å
72	A	67.9	Low	62.1	Low	32 Å²	32	67.4 Å²	67.4	26%	0.264	38%	0.381	S	S	.	.			trans	-68.5	149.6	-173.6	0	0	0	0	0	111.5	V42 V43 H44 F69	V42-A72 HydrophobicContact CG1-CB 4.13Å; V43-A72 CarbonylContact O-C 3.46Å; V43-A72 VanDerWaalsContact O-CA 3.23Å; V43-A72 WeakPolarHBondContact O-CA 3.33Å; H44-A72 WeakPolarHBondContact O-CA 3.34Å; H44-A72 PolarHBondContact O-N 3.05Å; F69-A72 HydrophobicContact CB-CB 3.84Å; F69-A72 HydrophobicContact CD1-CB 3.72Å; F69-A72 HydrophobicContact CG-CB 4.29Å; F69-A72 VanDerWaalsContact O-CB 3.29Å; F69-A72 WeakPolarHBondContact O-CB 3.37Å; F69-A72 PolarHBondContact O-N 2.84Å
73	K	66.3	Low	61.5	Low	100 Å²	100	62.1 Å²	62.1	44%	0.435	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	119.8	-179.7	-169.4	173.2	179.9	179.3	0	110.5	V43	V43-K73 PolarHBondContact N-O 2.71Å; V43-K73 PolarHBondContact O-N 2.87Å
74	Q	66.8	Low	60.3	Low	53 Å²	53	65.8 Å²	65.8	25%	0.248	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	133.5	168.8	-164.7	-178	38.8	0	0	109.2	E40 V42 R76 L82	E40-Q74 PolarHBondContact OE2-NE2 3.48Å; V42-Q74 HydrophobicContact CG2-CB 4.44Å; V42-Q74 HydrophobicContact CG2-CG 4.25Å; Q74-R76 PolarHBondContact O-N 3.48Å; Q74-R76 VanDerWaalsContact OE1-NE 3.1Å; Q74-L82 HydrophobicContact CG-CD2 3.72Å; Q74-L82 VanDerWaalsContact NE2-CD2 3.32Å
75	L	61.5	Low	59.1	Low	15 Å²	15	69 Å²	69	8%	0.079	40%	0.4	C	S	.	.			trans	-71.8	112.9	179.4	-62.1	-169.5	0	0	0	110.7	E41 V43 M83 Q100	E41-L75 HydrophobicContact CB-CB 4.36Å; E41-L75 HydrophobicContact CB-CD1 3.45Å; E41-L75 VanDerWaalsContact CB-CD1 3.45Å; E41-L75 HydrophobicContact CB-CG 3.85Å; E41-L75 HydrophobicContact CG-CD1 4.31Å; E41-L75 VanDerWaalsContact O-CG 3.3Å; E41-L75 WeakPolarHBondContact O-CG 3.31Å; E41-L75 PolarHBondContact O-N 3.19Å; E41-L75 WeakPolarHBondContact OE2-CD1 3.38Å; V43-L75 HydrophobicContact CG2-CD2 4.37Å; L75-M83 HydrophobicContact CB-CB 4.29Å; L75-M83 PolarHBondContact O-N 2.87Å; L75-Q100 HydrophobicContact CD2-CG 3.79Å
76	R	55.7	Low	57.9	Low	144 Å²	144	70 Å²	70	54%	0.543	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-124.3	146.6	174.8	-62.3	-176.4	-177.6	-156.9	3	110.8	Q74 L81 L82 M83	Q74-R76 PolarHBondContact O-N 3.48Å; Q74-R76 VanDerWaalsContact OE1-NE 3.1Å; R76-L81 CarbonylContact C-O 3.38Å; R76-L81 WeakPolarHBondContact CA-O 3.26Å; R76-L81 WeakPolarHBondContact CB-O 3.34Å; R76-L82 HydrophobicContact CG-CD2 4.23Å; R76-M83 VanDerWaalsContact C-CG 3.48Å
77	A	49.3	Very low	56.2	Low	21 Å²	21	79.5 Å²	79.5	17%	0.174	46%	0.455	C	S	.	.			trans	-69	164.5	170.7	0	0	0	0	0	109.8	N79 G80 L81 M83	A77-N79 WeakPolarHBondContact CB-OD1 3.2Å; A77-N79 PolarHBondContact O-N 3.41Å; A77-G80 PolarHBondContact O-N 3.22Å; A77-L81 PolarHBondContact N-O 3.12Å; A77-M83 HydrophobicContact CB-CG 3.79Å; A77-M83 HydrophobicContact CB-SD 3.35Å; A77-M83 WeakPolarHBondContact CB-SD 3.3Å
78	G	43.8	Very low	54.9	Low	99 Å²	99	80.6 Å²	80.6	100%	1.021	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-12.7	176.8	0	0	0	0	0	114.9
79	N	47.5	Very low	53.8	Low	116 Å²	116	79.5 Å²	79.5	62%	0.62	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	5.8	174	65.6	1.5	0	0	0	114	A77 L81	A77-N79 WeakPolarHBondContact CB-OD1 3.2Å; A77-N79 PolarHBondContact O-N 3.41Å; N79-L81 WeakPolarHBondContact ND2-CD1 3.48Å; N79-L81 WeakPolarHBondContact OD1-CB 3.4Å; N79-L81 PolarHBondContact OD1-N 3.46Å; N79-L81 VanDerWaalsContact OD1-N 3.16Å
80	G	47.9	Very low	52.9	Low	41 Å²	41	83.1 Å²	83.1	42%	0.423	48%	0.484	S	S	.	.	S	Bend	trans	86.1	-1	178.3	0	0	0	0	0	115.9	A77	A77-G80 PolarHBondContact O-N 3.22Å
81	L	46.9	Very low	52.2	Low	112 Å²	112	88.6 Å²	88.6	59%	0.586	49%	0.49	S	S	*	.			trans	-77	146.3	176.3	-66.7	174.5	0	0	0	111.9	R76 A77 N79	R76-L81 CarbonylContact C-O 3.38Å; R76-L81 WeakPolarHBondContact CA-O 3.26Å; R76-L81 WeakPolarHBondContact CB-O 3.34Å; A77-L81 PolarHBondContact N-O 3.12Å; N79-L81 WeakPolarHBondContact ND2-CD1 3.48Å; N79-L81 WeakPolarHBondContact OD1-CB 3.4Å; N79-L81 PolarHBondContact OD1-N 3.46Å; N79-L81 VanDerWaalsContact OD1-N 3.16Å
82	L	51.1	Low	51.7	Low	80 Å²	80	84.2 Å²	84.2	42%	0.419	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-62.9	134.5	174.6	-66.1	168	0	0	0	110.7	E40 Q74 R76	E40-L82 VanDerWaalsContact OE1-CD1 3.27Å; E40-L82 WeakPolarHBondContact OE1-CD1 3.3Å; Q74-L82 HydrophobicContact CG-CD2 3.72Å; Q74-L82 VanDerWaalsContact NE2-CD2 3.32Å; R76-L82 HydrophobicContact CG-CD2 4.23Å
83	M	54.2	Low	51.1	Low	24 Å²	24	84.6 Å²	84.6	12%	0.118	48%	0.476	C	S	.	.			trans	-99.8	102.3	-179.7	-70.6	-70.4	-70	0	0	109.6	L75 R76 A77 T88 V92	L75-M83 HydrophobicContact CB-CB 4.29Å; L75-M83 PolarHBondContact O-N 2.87Å; R76-M83 VanDerWaalsContact C-CG 3.48Å; A77-M83 HydrophobicContact CB-CG 3.79Å; A77-M83 HydrophobicContact CB-SD 3.35Å; A77-M83 WeakPolarHBondContact CB-SD 3.3Å; M83-T88 HydrophobicContact CE-CG2 3.85Å; M83-T88 WeakPolarHBondContact CE-O 3.49Å; M83-T88 HydrophobicContact SD-CG2 3.63Å; M83-V92 HydrophobicContact CE-CG2 3.18Å
84	T	47.9	Very low	50.7	Low	81 Å²	81	83.9 Å²	83.9	50%	0.497	48%	0.481	S	S	.	.			trans	-83.3	136.8	164.1	-9	0	0	0	0	108.7	C86	T84-C86 PolarHBondContact O-N 3.28Å
85	P	43.9	Very low	50.6	Low	69 Å²	69	87.1 Å²	87.1	45%	0.448	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.4	-168.3	-24.3	34	0	0	0	115.2	E41	E41-P85 VanDerWaalsContact CD-CG 3.48Å; E41-P85 HydrophobicContact CG-CG 4.36Å; E41-P85 WeakPolarHBondContact OE1-CG 3.46Å
86	C	43.8	Very low	50.7	Low	106 Å²	106	89.1 Å²	89.1	72%	0.716	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-19.7	-162	-49.8	0	0	0	0	114.6	T84	T84-C86 PolarHBondContact O-N 3.28Å
87	Y	36.8	Very low	51	Low	214 Å²	214	85.7 Å²	85.7	84%	0.839	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.7	-14.8	-169.6	-89.9	-88.6	0	0	0	116.6
88	T	43	Very low	51.7	Low	48 Å²	48	92.2 Å²	92.2	29%	0.294	53%	0.526	S	S	.	.			trans	-123	2.6	-168.6	-33.7	0	0	0	0	114.7	M83 N90 F91	M83-T88 HydrophobicContact CE-CG2 3.85Å; M83-T88 WeakPolarHBondContact CE-O 3.49Å; M83-T88 HydrophobicContact SD-CG2 3.63Å; T88-N90 PolarHBondContact O-N 2.86Å; T88-F91 HydrophobicContact CG2-CD2 4.11Å; T88-F91 PolarHBondContact O-N 3.3Å; T88-F91 VanDerWaalsContact O-N 3.14Å
89	A	49.3	Very low	52.9	Low	52 Å²	52	94.3 Å²	94.3	43%	0.43	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-55.8	-24.9	-177.9	0	0	0	0	0	114.1	F91	A89-F91 PolarHBondContact O-N 2.91Å
90	N	48.8	Very low	53.7	Low	152 Å²	152	90.6 Å²	90.6	81%	0.813	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-68	-14.6	-179.8	-66	-26.5	0	0	0	114.9	T88	T88-N90 PolarHBondContact O-N 2.86Å
91	F	55.2	Low	54.4	Low	182 Å²	182	90.8 Å²	90.8	80%	0.798	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-108.7	3.4	-175.4	-63.2	-78.4	0	0	0	114.4	T88 A89	T88-F91 HydrophobicContact CG2-CD2 4.11Å; T88-F91 PolarHBondContact O-N 3.3Å; T88-F91 VanDerWaalsContact O-N 3.14Å; A89-F91 PolarHBondContact O-N 2.91Å
92	V	57.4	Low	55.7	Low	28 Å²	28	91.9 Å²	91.9	17%	0.17	48%	0.481	C	S	.	.	S	Bend	trans	-96.8	135.8	-178.7	-172.1	0	0	0	0	110.3	M83 V96 L97	M83-V92 HydrophobicContact CE-CG2 3.18Å; V92-V96 HydrophobicContact CG1-CB 3.81Å; V92-V96 HydrophobicContact CG1-CG1 3.75Å; V92-L97 HydrophobicContact CB-CD1 4.24Å; V92-L97 HydrophobicContact CB-CD2 4.02Å; V92-L97 HydrophobicContact CB-CG 3.96Å; V92-L97 HydrophobicContact CG1-CD2 3.91Å; V92-L97 HydrophobicContact CG1-CG 3.77Å; V92-L97 HydrophobicContact CG2-CD2 4.47Å
93	A	56	Low	56.7	Low	39 Å²	39	89 Å²	89	32%	0.322	47%	0.466	S	S	.	.			trans	-62.2	139.2	175.6	0	0	0	0	0	111.4	E95 V96 L97	A93-E95 VanDerWaalsContact C-N 3.27Å; A93-E95 WeakPolarHBondContact CB-OE1 3.25Å; A93-E95 WeakPolarHBondContact CB-OE2 3.29Å; A93-E95 PolarHBondContact O-N 3.35Å; A93-V96 HydrophobicContact CB-CG2 4.33Å; A93-V96 WeakPolarHBondContact O-CB 3.4Å; A93-V96 PolarHBondContact O-N 3.36Å; A93-L97 PolarHBondContact O-N 3.34Å
94	P	58.9	Low	57.6	Low	85 Å²	85	90 Å²	90	55%	0.552	48%	0.478	S	S	*	.	H	α-helix	trans	-61.1	-30.8	-172.2	23.2	-33.9	0	0	0	114	V96 K98	P94-V96 VanDerWaalsContact C-N 3.33Å; P94-K98 WeakPolarHBondContact O-CB 3.23Å; P94-K98 VanDerWaalsContact O-CG 3.29Å; P94-K98 WeakPolarHBondContact O-CG 3.31Å; P94-K98 PolarHBondContact O-N 3.49Å
95	E	64.8	Low	59.1	Low	122 Å²	122	86.6 Å²	86.6	57%	0.57	46%	0.458	S	S	*	.	H	α-helix	trans	-68.2	-31.3	175.4	66.5	-82.1	-165.9	0	0	113	A93 R99	A93-E95 VanDerWaalsContact C-N 3.27Å; A93-E95 WeakPolarHBondContact CB-OE1 3.25Å; A93-E95 WeakPolarHBondContact CB-OE2 3.29Å; A93-E95 PolarHBondContact O-N 3.35Å; E95-R99 WeakPolarHBondContact O-CB 3.35Å; E95-R99 PolarHBondContact O-N 3.3Å
96	V	63.6	Low	60.9	Low	57 Å²	57	85.1 Å²	85.1	35%	0.345	45%	0.449	S	S	.	.	H	α-helix	trans	-71.9	-45.7	176.4	174.9	0	0	0	0	109.5	V92 A93 P94 K98 R99 Q100	V92-V96 HydrophobicContact CG1-CB 3.81Å; V92-V96 HydrophobicContact CG1-CG1 3.75Å; A93-V96 HydrophobicContact CB-CG2 4.33Å; A93-V96 WeakPolarHBondContact O-CB 3.4Å; A93-V96 PolarHBondContact O-N 3.36Å; P94-V96 VanDerWaalsContact C-N 3.33Å; V96-K98 PolarHBondContact O-N 2.88Å; V96-R99 PolarHBondContact O-N 2.92Å; V96-Q100 HydrophobicContact CG1-CG 4.49Å; V96-Q100 VanDerWaalsContact CG1-NE2 3.32Å; V96-Q100 WeakPolarHBondContact O-CG 3.3Å; V96-Q100 PolarHBondContact O-N 3.36Å
97	L	61	Low	62.6	Low	71 Å²	71	80.3 Å²	80.3	37%	0.372	42%	0.416	S	S	.	.	H	α-helix	trans	-60.7	-43.9	174.8	-67.7	173.2	0	0	0	111.7	V92 A93 R99 Q100 G101	V92-L97 HydrophobicContact CB-CD1 4.24Å; V92-L97 HydrophobicContact CB-CD2 4.02Å; V92-L97 HydrophobicContact CB-CG 3.96Å; V92-L97 HydrophobicContact CG1-CD2 3.91Å; V92-L97 HydrophobicContact CG1-CG 3.77Å; V92-L97 HydrophobicContact CG2-CD2 4.47Å; A93-L97 PolarHBondContact O-N 3.34Å; L97-R99 PolarHBondContact O-N 3.02Å; L97-Q100 PolarHBondContact O-N 2.96Å; L97-G101 PolarHBondContact O-N 3.35Å
98	K	65	Low	64.9	Low	158 Å²	158	70.4 Å²	70.4	69%	0.687	38%	0.378	S	S	*	.	H	α-helix	trans	-60.4	-45	176.3	-77.8	176.8	-178.7	-177.9	0	112.1	P94 V96 G101 Y102	P94-K98 WeakPolarHBondContact O-CB 3.23Å; P94-K98 VanDerWaalsContact O-CG 3.29Å; P94-K98 WeakPolarHBondContact O-CG 3.31Å; P94-K98 PolarHBondContact O-N 3.49Å; V96-K98 PolarHBondContact O-N 2.88Å; K98-G101 PolarHBondContact O-N 3.37Å; K98-Y102 WeakPolarHBondContact O-CB 3.47Å; K98-Y102 PolarHBondContact O-N 3.25Å
99	R	68.6	Low	67.1	Low	144 Å²	144	69 Å²	69	54%	0.543	37%	0.367	S	S	.	.	H	α-helix	trans	-66.2	-36.9	177.8	-172.3	174.1	179.7	-174.5	3.2	112.3	E95 V96 L97 Y102 D103	E95-R99 WeakPolarHBondContact O-CB 3.35Å; E95-R99 PolarHBondContact O-N 3.3Å; V96-R99 PolarHBondContact O-N 2.92Å; L97-R99 PolarHBondContact O-N 3.02Å; R99-Y102 WeakPolarHBondContact O-CB 3.19Å; R99-Y102 PolarHBondContact O-N 3.12Å; R99-D103 WeakPolarHBondContact O-CB 3.41Å; R99-D103 PolarHBondContact O-N 3.3Å
100	Q	64.2	Low	68.7	Low	38 Å²	38	67.3 Å²	67.3	18%	0.178	35%	0.352	C	S	.	.	H	α-helix	trans	-65.3	-46.6	175.8	-72.2	166.9	-1.3	0	0	112.1	L75 V96 L97 Y102 D103 A104	L75-Q100 HydrophobicContact CD2-CG 3.79Å; V96-Q100 HydrophobicContact CG1-CG 4.49Å; V96-Q100 VanDerWaalsContact CG1-NE2 3.32Å; V96-Q100 WeakPolarHBondContact O-CG 3.3Å; V96-Q100 PolarHBondContact O-N 3.36Å; L97-Q100 PolarHBondContact O-N 2.96Å; Q100-Y102 PolarHBondContact O-N 3.06Å; Q100-D103 PolarHBondContact O-N 3.41Å; Q100-A104 WeakPolarHBondContact O-CB 3.48Å; Q100-A104 PolarHBondContact O-N 2.99Å
101	G	62.9	Low	70.4	Confident	45 Å²	45	60.7 Å²	60.7	46%	0.464	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-38.1	174.7	0	0	0	0	0	112	L97 K98 A105	L97-G101 PolarHBondContact O-N 3.35Å; K98-G101 PolarHBondContact O-N 3.37Å; G101-A105 VanDerWaalsContact O-CB 3.31Å; G101-A105 WeakPolarHBondContact O-CB 3.48Å; G101-A105 PolarHBondContact O-N 3.48Å
102	Y	72.9	Confident	72.1	Confident	135 Å²	135	52 Å²	52	53%	0.529	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-51.8	173.7	-177.3	-90.2	0	0	0	112.4	K98 R99 Q100 A104 A105 C106 P171	K98-Y102 WeakPolarHBondContact O-CB 3.47Å; K98-Y102 PolarHBondContact O-N 3.25Å; R99-Y102 WeakPolarHBondContact O-CB 3.19Å; R99-Y102 PolarHBondContact O-N 3.12Å; Q100-Y102 PolarHBondContact O-N 3.06Å; Y102-A104 VanDerWaalsContact C-N 3.3Å; Y102-A104 PolarHBondContact O-N 3.1Å; Y102-A105 CarbonylContact O-C 3.59Å; Y102-A105 WeakPolarHBondContact O-CB 2.99Å; Y102-A105 PolarHBondContact O-N 3.07Å; Y102-A105 VanDerWaalsContact O-N 3.09Å; Y102-C106 WeakPolarHBondContact CE1-SG 3.37Å; Y102-C106 PolarHBondContact O-N 3.3Å; Y102-C106 PolarHBondContact O-SG 3.19Å; Y102-C106 VanDerWaalsContact O-SG 3.36Å; Y102-P171 HydrophobicContact CD2-CG 4.35Å
103	D	73.6	Confident	73.6	Confident	20 Å²	20	50.8 Å²	50.8	11%	0.107	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-40.5	180	-74.8	-16.4	0	0	0	111	V43 R45 R99 Q100 C106 D107	V43-D103 HydrophobicContact CG1-CB 3.82Å; R45-D103 WeakPolarHBondContact CD-OD2 3.48Å; R45-D103 HydrophobicContact CG-CB 4.08Å; R45-D103 IonicContact CZ-OD2 3.75Å; R45-D103 IonicContact NE-OD1 3.61Å; R45-D103 IonicContact NE-OD2 3.58Å; R45-D103 PolarHBondContact NE-OD2 2.97Å; R99-D103 WeakPolarHBondContact O-CB 3.41Å; R99-D103 PolarHBondContact O-N 3.3Å; Q100-D103 PolarHBondContact O-N 3.41Å; D103-C106 WeakPolarHBondContact O-CB 3.44Å; D103-C106 PolarHBondContact O-N 3.37Å; D103-D107 PolarHBondContact O-N 3.27Å
104	A	72.3	Confident	74.9	Confident	43 Å²	43	49.7 Å²	49.7	36%	0.355	26%	0.259	S	S	.	.	H	α-helix	trans	-67	-38.1	175.1	0	0	0	0	0	112.5	Q100 Y102 C106 D107 I108	Q100-A104 WeakPolarHBondContact O-CB 3.48Å; Q100-A104 PolarHBondContact O-N 2.99Å; Y102-A104 VanDerWaalsContact C-N 3.3Å; Y102-A104 PolarHBondContact O-N 3.1Å; A104-C106 VanDerWaalsContact C-N 3.29Å; A104-C106 PolarHBondContact O-N 3.33Å; A104-D107 PolarHBondContact O-N 3.25Å; A104-I108 PolarHBondContact O-N 3.23Å
105	A	79.6	Confident	76.2	Confident	10 Å²	10	45.8 Å²	45.8	8%	0.083	23%	0.234	C	C	.	.	H	α-helix	trans	-66.5	-31.7	174	0	0	0	0	0	111.9	G101 Y102 I108 W109 P171 R174	G101-A105 VanDerWaalsContact O-CB 3.31Å; G101-A105 WeakPolarHBondContact O-CB 3.48Å; G101-A105 PolarHBondContact O-N 3.48Å; Y102-A105 CarbonylContact O-C 3.59Å; Y102-A105 WeakPolarHBondContact O-CB 2.99Å; Y102-A105 PolarHBondContact O-N 3.07Å; Y102-A105 VanDerWaalsContact O-N 3.09Å; A105-I108 PolarHBondContact O-N 3.22Å; A105-W109 PolarHBondContact O-N 3.31Å; A105-P171 HydrophobicContact CB-CB 3.75Å; A105-R174 VanDerWaalsContact C-NH1 3.25Å; A105-R174 VanDerWaalsContact O-CD 3.23Å; A105-R174 WeakPolarHBondContact O-CD 3.22Å; A105-R174 PolarHBondContact O-NH1 3.29Å
106	C	81.6	Confident	77.4	Confident	38 Å²	38	40 Å²	40	26%	0.257	21%	0.207	S	C	.	.	H	α-helix	trans	-62.6	-43.9	172.9	-70.9	0	0	0	0	111.7	Y102 D103 A104 I108 W109 S110	Y102-C106 WeakPolarHBondContact CE1-SG 3.37Å; Y102-C106 PolarHBondContact O-N 3.3Å; Y102-C106 PolarHBondContact O-SG 3.19Å; Y102-C106 VanDerWaalsContact O-SG 3.36Å; D103-C106 WeakPolarHBondContact O-CB 3.44Å; D103-C106 PolarHBondContact O-N 3.37Å; A104-C106 VanDerWaalsContact C-N 3.29Å; A104-C106 PolarHBondContact O-N 3.33Å; C106-I108 VanDerWaalsContact C-N 3.28Å; C106-I108 PolarHBondContact O-N 3.14Å; C106-W109 WeakPolarHBondContact O-CB 3.49Å; C106-W109 PolarHBondContact O-N 3.2Å; C106-W109 VanDerWaalsContact O-N 3.12Å; C106-S110 PolarHBondContact O-N 3.11Å; C106-S110 PolarHBondContact O-OG 2.89Å
107	D	78.8	Confident	78.4	Confident	5 Å²	5	38 Å²	38	3%	0.027	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-41.6	175.2	-71.5	-14.6	0	0	0	110.9	V43 H44 R45 L47 D103 A104 W109 S110 L111	V43-D107 VanDerWaalsContact CG1-OD2 3.26Å; V43-D107 WeakPolarHBondContact CG1-OD2 3.37Å; H44-D107 PolarHBondContact N-OD2 3.38Å; R45-D107 PolarHBondContact N-OD1 2.97Å; L47-D107 HydrophobicContact CD2-CB 4.31Å; D103-D107 PolarHBondContact O-N 3.27Å; A104-D107 PolarHBondContact O-N 3.25Å; D107-W109 PolarHBondContact O-N 3.17Å; D107-S110 PolarHBondContact O-N 3.4Å; D107-L111 VanDerWaalsContact O-CG 3.31Å; D107-L111 WeakPolarHBondContact O-CG 3.43Å; D107-L111 PolarHBondContact O-N 3.41Å; D107-L111 VanDerWaalsContact O-N 3.12Å
108	I	84.6	Confident	79.3	Confident	7 Å²	7	35.7 Å²	35.7	4%	0.036	18%	0.182	C	C	.	.	H	α-helix	trans	-65.3	-37.7	175.9	-57.8	-59.9	0	0	0	112.7	A104 A105 C106 L111 G112 M166 R174 L175 A177 V180	A104-I108 PolarHBondContact O-N 3.23Å; A105-I108 PolarHBondContact O-N 3.22Å; C106-I108 VanDerWaalsContact C-N 3.28Å; C106-I108 PolarHBondContact O-N 3.14Å; I108-L111 HydrophobicContact CD1-CD1 4.11Å; I108-L111 PolarHBondContact O-N 3.27Å; I108-G112 PolarHBondContact O-N 3.02Å; I108-M166 HydrophobicContact CG2-CB 4.1Å; I108-M166 HydrophobicContact CG2-CE 4.13Å; I108-M166 HydrophobicContact CG2-CG 3.95Å; I108-R174 HydrophobicContact CB-CG 4.46Å; I108-R174 HydrophobicContact CG2-CG 4.06Å; I108-L175 WeakPolarHBondContact CG1-O 3.31Å; I108-L175 WeakPolarHBondContact CG2-O 3.43Å; I108-A177 HydrophobicContact CD1-CB 3.89Å; I108-V180 HydrophobicContact CG2-CG2 4.43Å
109	W	89.4	Confident	80.2	Confident	18 Å²	18	28.9 Å²	28.9	7%	0.068	15%	0.153	C	C	.	.	H	α-helix	trans	-61.3	-48.9	175.2	176.8	-84.7	0	0	0	111.1	A105 C106 D107 L111 G112 I113 F125 I140 L167 H168 R174	A105-W109 PolarHBondContact O-N 3.31Å; C106-W109 WeakPolarHBondContact O-CB 3.49Å; C106-W109 PolarHBondContact O-N 3.2Å; C106-W109 VanDerWaalsContact O-N 3.12Å; D107-W109 PolarHBondContact O-N 3.17Å; W109-L111 PolarHBondContact O-N 2.99Å; W109-G112 WeakPolarHBondContact O-CA 3.49Å; W109-G112 PolarHBondContact O-N 3.24Å; W109-I113 WeakPolarHBondContact O-CG1 3.29Å; W109-I113 PolarHBondContact O-N 3.26Å; W109-F125 AromaticContact CH2-CE2 3.95Å; W109-F125 HydrophobicContact CH2-CE2 3.95Å; W109-F125 AromaticContact CH2-CZ 3.79Å; W109-F125 HydrophobicContact CH2-CZ 3.79Å; W109-F125 HydrophobicContact CZ2-CD2 4.25Å; W109-F125 AromaticContact CZ2-CE2 3.37Å; W109-F125 HydrophobicContact CZ2-CE2 3.37Å; W109-F125 AromaticContact CZ2-CZ 3.7Å; W109-F125 HydrophobicContact CZ2-CZ 3.7Å; W109-I140 HydrophobicContact CH2-CG2 4.24Å; W109-I140 HydrophobicContact CZ2-CG1 4.46Å; W109-I140 HydrophobicContact CZ2-CG2 3.81Å; W109-L167 HydrophobicContact CD2-CD2 3.95Å; W109-L167 HydrophobicContact CE3-CD2 4.08Å; W109-L167 HydrophobicContact CG-CD2 4.4Å; W109-L167 HydrophobicContact CZ2-CD2 4.41Å; W109-L167 VanDerWaalsContact CZ3-C 3.45Å; W109-L167 HydrophobicContact CZ3-CB 4.38Å; W109-L167 HydrophobicContact CZ3-CD2 4.42Å; W109-L167 VanDerWaalsContact CZ3-O 3.23Å; W109-L167 WeakPolarHBondContact CZ3-O 3.47Å; W109-H168 WeakPolarHBondContact CZ3-O 3.48Å; W109-R174 VanDerWaalsContact CE3-NH2 3.32Å
110	S	84.5	Confident	81.1	Confident	16 Å²	16	22.3 Å²	22.3	11%	0.112	13%	0.13	C	C	.	.	H	α-helix	trans	-56.7	-39.4	177	-67.9	0	0	0	0	112.5	L47 C106 D107 I113 L114 Y213	L47-S110 WeakPolarHBondContact O-CB 3.12Å; L47-S110 PolarHBondContact O-OG 2.97Å; C106-S110 PolarHBondContact O-N 3.11Å; C106-S110 PolarHBondContact O-OG 2.89Å; D107-S110 PolarHBondContact O-N 3.4Å; S110-I113 WeakPolarHBondContact O-CB 3.41Å; S110-I113 PolarHBondContact O-N 3.01Å; S110-L114 WeakPolarHBondContact O-CB 3.44Å; S110-L114 PolarHBondContact O-N 3.21Å; S110-L114 VanDerWaalsContact O-N 3.11Å; S110-Y213 WeakPolarHBondContact CB-OH 3.49Å; S110-Y213 PolarHBondContact OG-OH 3.49Å
111	L	83.4	Confident	81.9	Confident	13 Å²	13	20.8 Å²	20.8	7%	0.068	12%	0.124	C	C	.	.	H	α-helix	trans	-67.6	-35.9	173.5	-65.4	166.2	0	0	0	112.9	L6 L47 D107 I108 W109 I113 L114 L115 M166	L6-L111 HydrophobicContact CD1-CD1 3.14Å; L6-L111 HydrophobicContact CD1-CD2 3.41Å; L6-L111 VanDerWaalsContact CD1-CD2 3.41Å; L6-L111 HydrophobicContact CD1-CG 3.8Å; L6-L111 HydrophobicContact CD2-CD2 4.18Å; L6-L111 HydrophobicContact CG-CD2 4.07Å; L47-L111 HydrophobicContact CD2-CD1 4.36Å; L47-L111 HydrophobicContact CD2-CD2 3.82Å; L47-L111 HydrophobicContact CD2-CG 3.85Å; D107-L111 VanDerWaalsContact O-CG 3.31Å; D107-L111 WeakPolarHBondContact O-CG 3.43Å; D107-L111 PolarHBondContact O-N 3.41Å; D107-L111 VanDerWaalsContact O-N 3.12Å; I108-L111 HydrophobicContact CD1-CD1 4.11Å; I108-L111 PolarHBondContact O-N 3.27Å; W109-L111 PolarHBondContact O-N 2.99Å; L111-I113 VanDerWaalsContact C-N 3.34Å; L111-L114 PolarHBondContact O-N 3.47Å; L111-L115 VanDerWaalsContact O-CB 3.3Å; L111-L115 WeakPolarHBondContact O-CB 3.46Å; L111-L115 PolarHBondContact O-N 3.48Å; L111-M166 HydrophobicContact CB-CE 3.43Å; L111-M166 VanDerWaalsContact CB-CE 3.43Å
112	G	90.4	Very high	83	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.4	-41.7	173.9	0	0	0	0	0	111.7	I108 W109 L114 L115 Y116	I108-G112 PolarHBondContact O-N 3.02Å; W109-G112 WeakPolarHBondContact O-CA 3.49Å; W109-G112 PolarHBondContact O-N 3.24Å; G112-L114 VanDerWaalsContact C-N 3.31Å; G112-L114 PolarHBondContact O-N 2.95Å; G112-L115 PolarHBondContact O-N 3Å; G112-Y116 VanDerWaalsContact O-CB 3.28Å; G112-Y116 WeakPolarHBondContact O-CB 3.41Å; G112-Y116 PolarHBondContact O-N 2.95Å
113	I	88.9	Confident	83.8	Confident	2 Å²	2	15.1 Å²	15.1	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-59.9	-46.4	175.4	-62.8	-67.7	0	0	0	110.1	W109 S110 L111 T117 P124 F125 L167 M209	W109-I113 WeakPolarHBondContact O-CG1 3.29Å; W109-I113 PolarHBondContact O-N 3.26Å; S110-I113 WeakPolarHBondContact O-CB 3.41Å; S110-I113 PolarHBondContact O-N 3.01Å; L111-I113 VanDerWaalsContact C-N 3.34Å; I113-T117 WeakPolarHBondContact O-CB 3.42Å; I113-T117 PolarHBondContact O-N 3.32Å; I113-T117 PolarHBondContact O-OG1 3.03Å; I113-P124 HydrophobicContact CD1-CG 3.48Å; I113-P124 VanDerWaalsContact CD1-CG 3.48Å; I113-P124 HydrophobicContact CG2-CG 4.34Å; I113-F125 HydrophobicContact CD1-CD2 3.42Å; I113-F125 VanDerWaalsContact CD1-CD2 3.42Å; I113-F125 HydrophobicContact CD1-CE2 3.33Å; I113-L167 HydrophobicContact CD1-CD2 3.79Å; I113-L167 HydrophobicContact CG1-CD2 4Å; I113-M209 HydrophobicContact CG2-CE 3.92Å; I113-M209 HydrophobicContact CG2-SD 3.59Å; I113-M209 VanDerWaalsContact CG2-SD 3.59Å
114	L	83.7	Confident	84.6	Confident	16 Å²	16	14.9 Å²	14.9	8%	0.084	9%	0.089	C	C	.	.	H	α-helix	trans	-66.8	-46.8	-178.5	177.5	58.1	0	0	0	111.6	W10 P49 I52 S110 L111 G112 Y116 T117 M118	W10-L114 HydrophobicContact CE3-CD2 4.11Å; W10-L114 HydrophobicContact CH2-CD1 3.38Å; W10-L114 HydrophobicContact CH2-CD2 3.3Å; W10-L114 HydrophobicContact CH2-CG 3.13Å; W10-L114 HydrophobicContact CZ2-CD1 4.01Å; W10-L114 HydrophobicContact CZ2-CD2 3.95Å; W10-L114 HydrophobicContact CZ2-CG 4.09Å; W10-L114 HydrophobicContact CZ3-CD1 4.18Å; W10-L114 HydrophobicContact CZ3-CD2 3.36Å; W10-L114 HydrophobicContact CZ3-CG 3.4Å; P49-L114 HydrophobicContact CB-CD1 4.09Å; P49-L114 HydrophobicContact CG-CD1 3.97Å; I52-L114 HydrophobicContact CD1-CD2 3.65Å; S110-L114 WeakPolarHBondContact O-CB 3.44Å; S110-L114 PolarHBondContact O-N 3.21Å; S110-L114 VanDerWaalsContact O-N 3.11Å; L111-L114 PolarHBondContact O-N 3.47Å; G112-L114 VanDerWaalsContact C-N 3.31Å; G112-L114 PolarHBondContact O-N 2.95Å; L114-Y116 PolarHBondContact O-N 2.97Å; L114-T117 PolarHBondContact O-N 2.68Å; L114-T117 VanDerWaalsContact O-N 3.12Å; L114-M118 PolarHBondContact O-N 3.3Å
115	L	86.3	Confident	85.6	Confident	4 Å²	4	12.9 Å²	12.9	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-59	-46.1	174.7	178	58	0	0	0	111.8	I13 L111 G112 T117 M118 L119 V162 V163 M166 W185	I13-L115 HydrophobicContact CD1-CD1 4.1Å; L111-L115 VanDerWaalsContact O-CB 3.3Å; L111-L115 WeakPolarHBondContact O-CB 3.46Å; L111-L115 PolarHBondContact O-N 3.48Å; G112-L115 PolarHBondContact O-N 3Å; L115-T117 VanDerWaalsContact C-N 3.28Å; L115-T117 PolarHBondContact O-N 2.98Å; L115-M118 HydrophobicContact CB-CE 4.44Å; L115-M118 HydrophobicContact CD1-CE 3.79Å; L115-M118 PolarHBondContact O-N 3.37Å; L115-L119 HydrophobicContact CD1-CD1 3.88Å; L115-L119 HydrophobicContact CD1-CG 4.15Å; L115-L119 HydrophobicContact CG-CD1 4.05Å; L115-L119 WeakPolarHBondContact O-CG 3.47Å; L115-L119 PolarHBondContact O-N 3.38Å; L115-L119 VanDerWaalsContact O-N 3.15Å; L115-V162 HydrophobicContact CD2-CG1 3.86Å; L115-V163 HydrophobicContact CD2-CG2 3.7Å; L115-V163 HydrophobicContact CG-CG2 3.73Å; L115-M166 HydrophobicContact CD2-SD 3.95Å; L115-W185 HydrophobicContact CD1-CH2 3.42Å; L115-W185 VanDerWaalsContact CD1-CH2 3.42Å; L115-W185 HydrophobicContact CD1-CZ2 4.28Å; L115-W185 HydrophobicContact CD1-CZ3 3.76Å; L115-W185 HydrophobicContact CD2-CH2 4.44Å; L115-W185 HydrophobicContact CD2-CZ3 4Å
116	Y	89.5	Confident	86	Confident	1 Å²	1	12.5 Å²	12.5	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-55.2	-47.9	173.5	179.5	-75.3	0	0	0	110.6	G112 L114 M118 L119 A120 F122 P124 Y145 A146 L147 W152 V163 L167	G112-Y116 VanDerWaalsContact O-CB 3.28Å; G112-Y116 WeakPolarHBondContact O-CB 3.41Å; G112-Y116 PolarHBondContact O-N 2.95Å; L114-Y116 PolarHBondContact O-N 2.97Å; Y116-M118 VanDerWaalsContact C-N 3.33Å; Y116-M118 PolarHBondContact O-N 3.17Å; Y116-L119 PolarHBondContact O-N 3.48Å; Y116-A120 HydrophobicContact CD1-CB 3.8Å; Y116-A120 HydrophobicContact CE1-CB 3.4Å; Y116-A120 VanDerWaalsContact CE1-CB 3.4Å; Y116-A120 WeakPolarHBondContact O-CB 3.31Å; Y116-A120 PolarHBondContact O-N 3.24Å; Y116-F122 VanDerWaalsContact CD1-O 3.31Å; Y116-F122 WeakPolarHBondContact CD1-O 3.46Å; Y116-F122 HydrophobicContact CE1-CD2 4.1Å; Y116-F122 AromaticContact CE1-CE2 3.87Å; Y116-F122 HydrophobicContact CE1-CE2 3.87Å; Y116-F122 HydrophobicContact CE1-CZ 4.33Å; Y116-F122 VanDerWaalsContact CE1-O 3.24Å; Y116-F122 WeakPolarHBondContact CE1-O 3.36Å; Y116-F122 AromaticContact CZ-CE2 3.94Å; Y116-F122 WeakPolarHBondContact OH-CE2 3.47Å; Y116-F122 VanDerWaalsContact OH-CZ 3.3Å; Y116-F122 WeakPolarHBondContact OH-CZ 3.45Å; Y116-P124 HydrophobicContact CD1-CB 3.64Å; Y116-P124 VanDerWaalsContact CD1-CD 3.45Å; Y116-P124 HydrophobicContact CD1-CG 3.88Å; Y116-P124 HydrophobicContact CD2-CB 3.84Å; Y116-P124 VanDerWaalsContact CE1-CA 3.43Å; Y116-P124 HydrophobicContact CE1-CB 3.73Å; Y116-P124 HydrophobicContact CE1-CG 4.4Å; Y116-P124 HydrophobicContact CE2-CB 3.92Å; Y116-P124 HydrophobicContact CG-CB 3.71Å; Y116-P124 HydrophobicContact CG-CG 3.97Å; Y116-Y145 HydrophobicContact CD2-CD2 4.02Å; Y116-Y145 AromaticContact CE2-CD2 3.69Å; Y116-Y145 HydrophobicContact CE2-CD2 3.69Å; Y116-Y145 HydrophobicContact CE2-CG 4.34Å; Y116-A146 WeakPolarHBondContact CE2-O 3.05Å; Y116-A146 PolarHBondContact OH-O 3Å; Y116-A146 VanDerWaalsContact OH-O 3.04Å; Y116-L147 HydrophobicContact CD2-CD2 4.46Å; Y116-L147 HydrophobicContact CE2-CD2 4.26Å; Y116-W152 HydrophobicContact CD2-CH2 4.13Å; Y116-W152 AromaticContact CD2-CZ2 3.48Å; Y116-W152 HydrophobicContact CD2-CZ2 3.48Å; Y116-W152 VanDerWaalsContact CD2-CZ2 3.48Å; Y116-W152 HydrophobicContact CE1-CZ2 4.5Å; Y116-W152 AromaticContact CE2-CE2 3.94Å; Y116-W152 HydrophobicContact CE2-CH2 4.4Å; Y116-W152 AromaticContact CE2-CZ2 3.44Å; Y116-W152 HydrophobicContact CE2-CZ2 3.44Å; Y116-W152 VanDerWaalsContact CE2-CZ2 3.44Å; Y116-W152 AromaticContact CE2-NE1 3.97Å; Y116-W152 HydrophobicContact CG-CZ2 4.03Å; Y116-W152 AromaticContact CZ-CZ2 3.99Å; Y116-W152 AromaticContact CZ-NE1 3.82Å; Y116-V163 HydrophobicContact CD2-CG1 3.94Å; Y116-L167 HydrophobicContact CD2-CD1 4.34Å
117	T	85.1	Confident	86.2	Confident	14 Å²	14	16.1 Å²	16.1	9%	0.086	9%	0.087	C	C	.	.	H	α-helix	trans	-65.6	-36.8	-174	-58.9	0	0	0	0	112.2	I113 L114 L115 G121 F122 V205 M209	I113-T117 WeakPolarHBondContact O-CB 3.42Å; I113-T117 PolarHBondContact O-N 3.32Å; I113-T117 PolarHBondContact O-OG1 3.03Å; L114-T117 PolarHBondContact O-N 2.68Å; L114-T117 VanDerWaalsContact O-N 3.12Å; L115-T117 VanDerWaalsContact C-N 3.28Å; L115-T117 PolarHBondContact O-N 2.98Å; T117-G121 VanDerWaalsContact O-CA 3.23Å; T117-G121 WeakPolarHBondContact O-CA 3.37Å; T117-G121 PolarHBondContact O-N 2.85Å; T117-F122 WeakPolarHBondContact CA-O 3.44Å; T117-V205 HydrophobicContact CG2-CG1 3.54Å; T117-M209 HydrophobicContact CG2-CE 3.95Å; T117-M209 WeakPolarHBondContact OG1-CE 3.4Å
118	M	81.1	Confident	86.4	Confident	22 Å²	22	16.4 Å²	16.4	11%	0.108	9%	0.091	C	C	.	.	H	α-helix	trans	-64.7	-43.2	173.3	-71	-169.4	-68	0	0	113.1	W10 I13 V15 L114 L115 Y116	W10-M118 HydrophobicContact CE3-CE 3.88Å; W10-M118 HydrophobicContact CE3-SD 4.3Å; W10-M118 HydrophobicContact CH2-CE 3.22Å; W10-M118 HydrophobicContact CH2-CG 3.73Å; W10-M118 HydrophobicContact CH2-SD 2.99Å; W10-M118 WeakPolarHBondContact CH2-SD 3.38Å; W10-M118 HydrophobicContact CZ2-CE 4.27Å; W10-M118 HydrophobicContact CZ2-CG 4.39Å; W10-M118 HydrophobicContact CZ2-SD 3.56Å; W10-M118 VanDerWaalsContact CZ2-SD 3.56Å; W10-M118 HydrophobicContact CZ3-CE 3.01Å; W10-M118 HydrophobicContact CZ3-CG 4.49Å; W10-M118 HydrophobicContact CZ3-SD 3.48Å; W10-M118 WeakPolarHBondContact CZ3-SD 3.49Å; I13-M118 HydrophobicContact CD1-CE 3.75Å; I13-M118 HydrophobicContact CG2-CE 3.74Å; I13-M118 HydrophobicContact CG2-SD 3.78Å; V15-M118 HydrophobicContact CB-SD 4.44Å; V15-M118 HydrophobicContact CG1-SD 4.26Å; V15-M118 HydrophobicContact CG2-SD 3.31Å; V15-M118 WeakPolarHBondContact CG2-SD 3.35Å; L114-M118 PolarHBondContact O-N 3.3Å; L115-M118 HydrophobicContact CB-CE 4.44Å; L115-M118 HydrophobicContact CD1-CE 3.79Å; L115-M118 PolarHBondContact O-N 3.37Å; Y116-M118 VanDerWaalsContact C-N 3.33Å; Y116-M118 PolarHBondContact O-N 3.17Å
119	L	83.5	Confident	86.3	Confident	15 Å²	15	19 Å²	19	8%	0.079	11%	0.108	C	C	.	.	H	α-helix	trans	-72.8	-47.3	-177.1	-71.5	176.2	0	0	0	111.2	L115 Y116 N151 W152 I155 A159 V163 W185 L197	L115-L119 HydrophobicContact CD1-CD1 3.88Å; L115-L119 HydrophobicContact CD1-CG 4.15Å; L115-L119 HydrophobicContact CG-CD1 4.05Å; L115-L119 WeakPolarHBondContact O-CG 3.47Å; L115-L119 PolarHBondContact O-N 3.38Å; L115-L119 VanDerWaalsContact O-N 3.15Å; Y116-L119 PolarHBondContact O-N 3.48Å; L119-N151 VanDerWaalsContact O-CB 3.29Å; L119-N151 WeakPolarHBondContact O-CB 3.37Å; L119-N151 PolarHBondContact O-ND2 3.1Å; L119-W152 HydrophobicContact CB-CH2 3.94Å; L119-W152 HydrophobicContact CB-CZ2 4.29Å; L119-W152 HydrophobicContact CB-CZ3 4.4Å; L119-W152 HydrophobicContact CD1-CH2 4.04Å; L119-W152 HydrophobicContact CD1-CZ3 4.26Å; L119-I155 HydrophobicContact CB-CD1 3.74Å; L119-I155 HydrophobicContact CD2-CD1 4.38Å; L119-I155 WeakPolarHBondContact O-CD1 3.41Å; L119-A159 HydrophobicContact CD1-CB 4.19Å; L119-V163 HydrophobicContact CD1-CG2 3.89Å; L119-W185 HydrophobicContact CD2-CZ2 4.39Å; L119-L197 HydrophobicContact CD2-CD1 4.33Å
120	A	85.8	Confident	86.3	Confident	7 Å²	7	25.4 Å²	25.4	6%	0.058	14%	0.143	C	C	.	.	H	α-helix	trans	-79.4	-29.7	-176.2	0	0	0	0	0	113.1	Y116 F122 N151 W152	Y116-A120 HydrophobicContact CD1-CB 3.8Å; Y116-A120 HydrophobicContact CE1-CB 3.4Å; Y116-A120 VanDerWaalsContact CE1-CB 3.4Å; Y116-A120 WeakPolarHBondContact O-CB 3.31Å; Y116-A120 PolarHBondContact O-N 3.24Å; A120-F122 VanDerWaalsContact C-N 3.3Å; A120-F122 HydrophobicContact CB-CD1 3.81Å; A120-F122 HydrophobicContact CB-CE1 3.63Å; A120-F122 HydrophobicContact CB-CE2 4.48Å; A120-F122 HydrophobicContact CB-CG 4.3Å; A120-F122 HydrophobicContact CB-CZ 3.98Å; A120-F122 WeakPolarHBondContact O-CD1 3.23Å; A120-F122 WeakPolarHBondContact O-CE1 3.22Å; A120-N151 PolarHBondContact O-ND2 3.16Å; A120-W152 HydrophobicContact CB-CZ2 3.86Å
121	G	81.8	Confident	86.4	Confident	5 Å²	5	26 Å²	26	5%	0.052	15%	0.146	C	C	.	.	S	Bend	trans	80.2	6.8	-170.5	0	0	0	0	0	114.4	T117 Q200 V205	T117-G121 VanDerWaalsContact O-CA 3.23Å; T117-G121 WeakPolarHBondContact O-CA 3.37Å; T117-G121 PolarHBondContact O-N 2.85Å; G121-Q200 WeakPolarHBondContact O-CB 3.36Å; G121-Q200 PolarHBondContact O-N 3.45Å; G121-Q200 VanDerWaalsContact O-N 3.1Å; G121-V205 WeakPolarHBondContact O-CG2 3.48Å
122	F	85.4	Confident	86.7	Confident	58 Å²	58	28.1 Å²	28.1	25%	0.254	16%	0.159	S	C	.	.	S	Bend	trans	-153.5	165.2	179.2	63.4	-89	0	0	0	110.4	Y116 T117 A120 Q200	Y116-F122 VanDerWaalsContact CD1-O 3.31Å; Y116-F122 WeakPolarHBondContact CD1-O 3.46Å; Y116-F122 HydrophobicContact CE1-CD2 4.1Å; Y116-F122 AromaticContact CE1-CE2 3.87Å; Y116-F122 HydrophobicContact CE1-CE2 3.87Å; Y116-F122 HydrophobicContact CE1-CZ 4.33Å; Y116-F122 VanDerWaalsContact CE1-O 3.24Å; Y116-F122 WeakPolarHBondContact CE1-O 3.36Å; Y116-F122 AromaticContact CZ-CE2 3.94Å; Y116-F122 WeakPolarHBondContact OH-CE2 3.47Å; Y116-F122 VanDerWaalsContact OH-CZ 3.3Å; Y116-F122 WeakPolarHBondContact OH-CZ 3.45Å; T117-F122 WeakPolarHBondContact CA-O 3.44Å; A120-F122 VanDerWaalsContact C-N 3.3Å; A120-F122 HydrophobicContact CB-CD1 3.81Å; A120-F122 HydrophobicContact CB-CE1 3.63Å; A120-F122 HydrophobicContact CB-CE2 4.48Å; A120-F122 HydrophobicContact CB-CG 4.3Å; A120-F122 HydrophobicContact CB-CZ 3.98Å; A120-F122 WeakPolarHBondContact O-CD1 3.23Å; A120-F122 WeakPolarHBondContact O-CE1 3.22Å; F122-Q200 HydrophobicContact CB-CG 4.22Å
123	T	89.8	Confident	86.5	Confident	4 Å²	4	29 Å²	29	3%	0.025	17%	0.165	C	C	.	.			trans	-81	151.2	-176.2	88.2	0	0	0	0	112.6	F125 A126 V205 A208 M209	T123-F125 PolarHBondContact O-N 2.9Å; T123-A126 PolarHBondContact OG1-N 3.36Å; T123-A126 VanDerWaalsContact OG1-N 3.17Å; T123-A126 PolarHBondContact OG1-O 3.27Å; T123-V205 HydrophobicContact CG2-CG1 4.49Å; T123-A208 HydrophobicContact CG2-CB 3.71Å; T123-M209 HydrophobicContact CG2-CB 4.31Å; T123-M209 HydrophobicContact CG2-CE 4.03Å
124	P	92.2	Very high	86.4	Confident	14 Å²	14	34.3 Å²	34.3	9%	0.091	19%	0.189	C	C	.	.	S	Bend	trans	-73.2	-23.5	-174.5	24	-29.6	0	0	0	114.7	I113 Y116 Y145 L167	I113-P124 HydrophobicContact CD1-CG 3.48Å; I113-P124 VanDerWaalsContact CD1-CG 3.48Å; I113-P124 HydrophobicContact CG2-CG 4.34Å; Y116-P124 HydrophobicContact CD1-CB 3.64Å; Y116-P124 VanDerWaalsContact CD1-CD 3.45Å; Y116-P124 HydrophobicContact CD1-CG 3.88Å; Y116-P124 HydrophobicContact CD2-CB 3.84Å; Y116-P124 VanDerWaalsContact CE1-CA 3.43Å; Y116-P124 HydrophobicContact CE1-CB 3.73Å; Y116-P124 HydrophobicContact CE1-CG 4.4Å; Y116-P124 HydrophobicContact CE2-CB 3.92Å; Y116-P124 HydrophobicContact CG-CB 3.71Å; Y116-P124 HydrophobicContact CG-CG 3.97Å; P124-Y145 HydrophobicContact CB-CG 4.29Å; P124-L167 HydrophobicContact CB-CD1 4.33Å; P124-L167 HydrophobicContact CG-CD1 4.23Å
125	F	92.6	Very high	86.6	Confident	1 Å²	1	37.9 Å²	37.9	0%	0.004	21%	0.205	C	C	.	.	S	Bend	trans	-125.1	-16.3	-168.4	-58.2	-62.3	0	0	0	114.8	W109 I113 T123 I136 R139 I140 Y145 L167	W109-F125 AromaticContact CH2-CE2 3.95Å; W109-F125 HydrophobicContact CH2-CE2 3.95Å; W109-F125 AromaticContact CH2-CZ 3.79Å; W109-F125 HydrophobicContact CH2-CZ 3.79Å; W109-F125 HydrophobicContact CZ2-CD2 4.25Å; W109-F125 AromaticContact CZ2-CE2 3.37Å; W109-F125 HydrophobicContact CZ2-CE2 3.37Å; W109-F125 AromaticContact CZ2-CZ 3.7Å; W109-F125 HydrophobicContact CZ2-CZ 3.7Å; I113-F125 HydrophobicContact CD1-CD2 3.42Å; I113-F125 VanDerWaalsContact CD1-CD2 3.42Å; I113-F125 HydrophobicContact CD1-CE2 3.33Å; T123-F125 PolarHBondContact O-N 2.9Å; F125-I136 HydrophobicContact CB-CG2 4.35Å; F125-R139 HydrophobicContact CD1-CB 4.12Å; F125-R139 WeakPolarHBondContact O-CD 3.28Å; F125-R139 PolarHBondContact O-NH1 3.09Å; F125-I140 HydrophobicContact CB-CD1 4.49Å; F125-I140 HydrophobicContact CB-CG1 3.85Å; F125-I140 HydrophobicContact CD1-CG1 4Å; F125-I140 HydrophobicContact CD2-CD1 4.47Å; F125-I140 HydrophobicContact CD2-CG1 3.7Å; F125-I140 HydrophobicContact CE1-CG1 4.49Å; F125-I140 HydrophobicContact CE2-CG1 4.26Å; F125-I140 HydrophobicContact CG-CG1 3.57Å; F125-Y145 AromaticContact CE1-CD1 3.69Å; F125-Y145 HydrophobicContact CE1-CD1 3.69Å; F125-Y145 HydrophobicContact CE1-CG 4.41Å; F125-Y145 AromaticContact CZ-CD1 3.67Å; F125-Y145 HydrophobicContact CZ-CD1 3.67Å; F125-Y145 HydrophobicContact CZ-CE1 4.24Å; F125-L167 HydrophobicContact CE2-CD2 4.42Å
126	A	88.6	Confident	86.7	Confident	2 Å²	2	37.7 Å²	37.7	2%	0.017	20%	0.204	C	C	.	.			trans	-118.4	129.6	173.8	0	0	0	0	0	110.3	T123 G128 D131 I136 A208 T212	T123-A126 PolarHBondContact OG1-N 3.36Å; T123-A126 VanDerWaalsContact OG1-N 3.17Å; T123-A126 PolarHBondContact OG1-O 3.27Å; A126-G128 VanDerWaalsContact C-N 3.34Å; A126-D131 WeakPolarHBondContact CA-OD2 3.39Å; A126-I136 HydrophobicContact CB-CD1 3.99Å; A126-I136 HydrophobicContact CB-CG1 4.16Å; A126-A208 HydrophobicContact CB-CB 3.93Å; A126-A208 WeakPolarHBondContact CB-O 3.43Å; A126-T212 WeakPolarHBondContact CB-OG1 3.34Å
127	N	85.4	Confident	86.5	Confident	115 Å²	115	41.1 Å²	41.1	62%	0.615	22%	0.222	S	C	*	.	S	Bend	trans	-80.5	-20.6	176.5	-60.9	-44.7	0	0	0	112.2	D131 R139	N127-D131 PolarHBondContact N-OD2 3.24Å; N127-R139 PolarHBondContact ND2-NH2 3.43Å
128	G	83.1	Confident	86.5	Confident	11 Å²	11	43.5 Å²	43.5	11%	0.113	24%	0.244	C	C	.	.	S	Bend	trans	-178.4	179.5	-176.2	0	0	0	0	0	111.8	A126 D130	A126-G128 VanDerWaalsContact C-N 3.34Å; G128-D130 PolarHBondContact O-N 2.78Å
129	P	82.9	Confident	86.9	Confident	60 Å²	60	45.6 Å²	45.6	39%	0.39	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.9	178.3	26.9	-34.2	0	0	0	113.9
130	D	88.6	Confident	87.1	Confident	153 Å²	153	45.9 Å²	45.9	82%	0.818	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.5	-175.1	-58.1	-45.7	0	0	0	113.8	G128 T132	G128-D130 PolarHBondContact O-N 2.78Å; D130-T132 PolarHBondContact O-N 3.07Å
131	D	87.4	Confident	86.9	Confident	30 Å²	30	48 Å²	48	16%	0.16	28%	0.275	C	S	.	.			trans	-62.7	135.4	176.7	-90.5	-3.7	0	0	0	110.7	A126 N127 I136 R139	A126-D131 WeakPolarHBondContact CA-OD2 3.39Å; N127-D131 PolarHBondContact N-OD2 3.24Å; D131-I136 HydrophobicContact CB-CD1 3.92Å; D131-I136 HydrophobicContact CB-CG1 3.89Å; D131-R139 IonicContact OD1-NH2 3.75Å; D131-R139 IonicContact OD2-CZ 2.73Å; D131-R139 IonicContact OD2-NH1 3.89Å; D131-R139 PolarHBondContact OD2-NH1 2.84Å; D131-R139 IonicContact OD2-NH2 3.45Å
132	T	88.5	Confident	87.2	Confident	56 Å²	56	50.8 Å²	50.8	34%	0.344	29%	0.293	S	S	.	.			trans	-74.8	149.5	179.5	64.7	0	0	0	0	111.4	D130 E134 E135 I136	D130-T132 PolarHBondContact O-N 3.07Å; T132-E134 PolarHBondContact O-N 3.23Å; T132-E135 WeakPolarHBondContact CB-OE2 3.38Å; T132-E135 PolarHBondContact N-OE2 3Å; T132-E135 PolarHBondContact O-N 3.3Å; T132-E135 VanDerWaalsContact O-N 3.15Å; T132-E135 WeakPolarHBondContact OG1-CB 3.22Å; T132-E135 WeakPolarHBondContact OG1-CG 3.29Å; T132-E135 PolarHBondContact OG1-N 3.08Å; T132-E135 PolarHBondContact OG1-OE2 3.34Å; T132-I136 WeakPolarHBondContact O-CG1 3.44Å; T132-I136 PolarHBondContact O-N 2.75Å; T132-I136 VanDerWaalsContact O-N 3.07Å
133	P	86.5	Confident	87.1	Confident	19 Å²	19	49.1 Å²	49.1	12%	0.123	29%	0.293	C	S	.	.	H	α-helix	trans	-55.1	-36.3	175.4	-29.3	37.9	0	0	0	113.6	I136 L137 F214 A215	P133-I136 PolarHBondContact O-N 3.35Å; P133-L137 VanDerWaalsContact O-CB 3.3Å; P133-L137 WeakPolarHBondContact O-CB 3.38Å; P133-L137 WeakPolarHBondContact O-CG 3.31Å; P133-L137 PolarHBondContact O-N 3.15Å; P133-F214 HydrophobicContact CG-CD1 4Å; P133-F214 HydrophobicContact CG-CE1 3.87Å; P133-A215 HydrophobicContact CB-CB 3.84Å
134	E	86.9	Confident	86.8	Confident	114 Å²	114	56.8 Å²	56.8	53%	0.533	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-42.2	179.4	-66	71.7	-158.4	0	0	111.7	T132 A138 R218	T132-E134 PolarHBondContact O-N 3.23Å; E134-A138 WeakPolarHBondContact O-CB 3.43Å; E134-A138 PolarHBondContact O-N 3.46Å; E134-R218 IonicContact OE1-CZ 3.97Å; E134-R218 IonicContact OE1-NH1 2.72Å; E134-R218 PolarHBondContact OE1-NH1 2.96Å; E134-R218 IonicContact OE2-NH1 3.79Å
135	E	88.4	Confident	86.8	Confident	90 Å²	90	58.4 Å²	58.4	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-66.7	-44.6	176	-71.7	163.3	147.6	0	0	111.7	T132 A138 R139	T132-E135 WeakPolarHBondContact CB-OE2 3.38Å; T132-E135 PolarHBondContact N-OE2 3Å; T132-E135 PolarHBondContact O-N 3.3Å; T132-E135 VanDerWaalsContact O-N 3.15Å; T132-E135 WeakPolarHBondContact OG1-CB 3.22Å; T132-E135 WeakPolarHBondContact OG1-CG 3.29Å; T132-E135 PolarHBondContact OG1-N 3.08Å; T132-E135 PolarHBondContact OG1-OE2 3.34Å; E135-A138 PolarHBondContact O-N 3.39Å; E135-R139 WeakPolarHBondContact O-CG 3.27Å; E135-R139 PolarHBondContact O-N 3.12Å
136	I	87.4	Confident	86.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.2	-48.3	177.8	-64.5	169.8	0	0	0	110.1	F125 A126 D131 T132 P133 A138 R139 I140 A211 T212 A215	F125-I136 HydrophobicContact CB-CG2 4.35Å; A126-I136 HydrophobicContact CB-CD1 3.99Å; A126-I136 HydrophobicContact CB-CG1 4.16Å; D131-I136 HydrophobicContact CB-CD1 3.92Å; D131-I136 HydrophobicContact CB-CG1 3.89Å; T132-I136 WeakPolarHBondContact O-CG1 3.44Å; T132-I136 PolarHBondContact O-N 2.75Å; T132-I136 VanDerWaalsContact O-N 3.07Å; P133-I136 PolarHBondContact O-N 3.35Å; I136-A138 VanDerWaalsContact C-N 3.31Å; I136-A138 PolarHBondContact O-N 3.43Å; I136-R139 PolarHBondContact O-N 3.18Å; I136-R139 VanDerWaalsContact O-N 3.17Å; I136-I140 HydrophobicContact CG2-CD1 3.8Å; I136-I140 HydrophobicContact CG2-CG1 4.41Å; I136-I140 WeakPolarHBondContact O-CG1 2.97Å; I136-I140 PolarHBondContact O-N 3.3Å; I136-A211 HydrophobicContact CD1-CB 3.88Å; I136-T212 HydrophobicContact CG2-CG2 4.32Å; I136-A215 HydrophobicContact CB-CB 4.1Å; I136-A215 HydrophobicContact CD1-CB 4.36Å; I136-A215 HydrophobicContact CG2-CB 4Å
137	L	84.9	Confident	87	Confident	73 Å²	73	62.5 Å²	62.5	38%	0.382	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-36.3	178.3	-72.8	172.9	0	0	0	112.1	P133 I140 G141 A215 L216	P133-L137 VanDerWaalsContact O-CB 3.3Å; P133-L137 WeakPolarHBondContact O-CB 3.38Å; P133-L137 WeakPolarHBondContact O-CG 3.31Å; P133-L137 PolarHBondContact O-N 3.15Å; L137-I140 PolarHBondContact O-N 3.4Å; L137-G141 PolarHBondContact O-N 3.46Å; L137-A215 HydrophobicContact CG-CB 4.27Å; L137-L216 HydrophobicContact CD2-CD2 4.43Å
138	A	86.4	Confident	87.4	Confident	64 Å²	64	61.1 Å²	61.1	53%	0.529	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-42	174.1	0	0	0	0	0	111.7	E134 E135 I136 G141 S142	E134-A138 WeakPolarHBondContact O-CB 3.43Å; E134-A138 PolarHBondContact O-N 3.46Å; E135-A138 PolarHBondContact O-N 3.39Å; I136-A138 VanDerWaalsContact C-N 3.31Å; I136-A138 PolarHBondContact O-N 3.43Å; A138-G141 PolarHBondContact O-N 3Å; A138-S142 WeakPolarHBondContact O-CB 3.49Å; A138-S142 PolarHBondContact O-N 3.28Å
139	R	89.1	Confident	87.7	Confident	67 Å²	67	62.2 Å²	62.2	25%	0.253	37%	0.368	S	S	.	.	H	α-helix	trans	-66.2	-46.5	176.1	-66.2	-178	-156.6	121.3	-1.5	111.6	F125 N127 D131 E135 I136 G141 S142 G143	F125-R139 HydrophobicContact CD1-CB 4.12Å; F125-R139 WeakPolarHBondContact O-CD 3.28Å; F125-R139 PolarHBondContact O-NH1 3.09Å; N127-R139 PolarHBondContact ND2-NH2 3.43Å; D131-R139 IonicContact OD1-NH2 3.75Å; D131-R139 IonicContact OD2-CZ 2.73Å; D131-R139 IonicContact OD2-NH1 3.89Å; D131-R139 PolarHBondContact OD2-NH1 2.84Å; D131-R139 IonicContact OD2-NH2 3.45Å; E135-R139 WeakPolarHBondContact O-CG 3.27Å; E135-R139 PolarHBondContact O-N 3.12Å; I136-R139 PolarHBondContact O-N 3.18Å; I136-R139 VanDerWaalsContact O-N 3.17Å; R139-G141 PolarHBondContact O-N 3.12Å; R139-S142 PolarHBondContact O-N 2.94Å; R139-S142 PolarHBondContact O-OG 3.45Å; R139-G143 PolarHBondContact O-N 2.91Å
140	I	87.3	Confident	88	Confident	20 Å²	20	62.4 Å²	62.4	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-55.4	-50.9	174.3	-70.3	170.9	0	0	0	110.7	W109 F125 I136 L137 S142 G143 T212 L216	W109-I140 HydrophobicContact CH2-CG2 4.24Å; W109-I140 HydrophobicContact CZ2-CG1 4.46Å; W109-I140 HydrophobicContact CZ2-CG2 3.81Å; F125-I140 HydrophobicContact CB-CD1 4.49Å; F125-I140 HydrophobicContact CB-CG1 3.85Å; F125-I140 HydrophobicContact CD1-CG1 4Å; F125-I140 HydrophobicContact CD2-CD1 4.47Å; F125-I140 HydrophobicContact CD2-CG1 3.7Å; F125-I140 HydrophobicContact CE1-CG1 4.49Å; F125-I140 HydrophobicContact CE2-CG1 4.26Å; F125-I140 HydrophobicContact CG-CG1 3.57Å; I136-I140 HydrophobicContact CG2-CD1 3.8Å; I136-I140 HydrophobicContact CG2-CG1 4.41Å; I136-I140 WeakPolarHBondContact O-CG1 2.97Å; I136-I140 PolarHBondContact O-N 3.3Å; L137-I140 PolarHBondContact O-N 3.4Å; I140-S142 VanDerWaalsContact C-N 3.27Å; I140-S142 PolarHBondContact O-N 2.95Å; I140-G143 PolarHBondContact O-N 2.89Å; I140-T212 HydrophobicContact CD1-CG2 4.34Å; I140-L216 HydrophobicContact CD1-CD1 4.48Å; I140-L216 HydrophobicContact CD1-CD2 3.87Å; I140-L216 HydrophobicContact CD1-CG 4.07Å
141	G	82.5	Confident	87.8	Confident	53 Å²	53	56 Å²	56	55%	0.546	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-29.7	-179.2	0	0	0	0	0	113.6	L137 A138 R139 G143	L137-G141 PolarHBondContact O-N 3.46Å; A138-G141 PolarHBondContact O-N 3Å; R139-G141 PolarHBondContact O-N 3.12Å; G141-G143 VanDerWaalsContact C-N 3.3Å
142	S	87.2	Confident	87.9	Confident	63 Å²	63	54.6 Å²	54.6	44%	0.441	34%	0.339	S	S	.	.	H	α-helix	trans	-73.9	-20.8	174.5	79.8	0	0	0	0	113.7	A138 R139 I140 K144	A138-S142 WeakPolarHBondContact O-CB 3.49Å; A138-S142 PolarHBondContact O-N 3.28Å; R139-S142 PolarHBondContact O-N 2.94Å; R139-S142 PolarHBondContact O-OG 3.45Å; I140-S142 VanDerWaalsContact C-N 3.27Å; I140-S142 PolarHBondContact O-N 2.95Å; S142-K144 PolarHBondContact O-N 3.34Å; S142-K144 PolarHBondContact OG-N 2.87Å
143	G	83.8	Confident	87.9	Confident	23 Å²	23	57.5 Å²	57.5	24%	0.237	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	13.3	-174.9	0	0	0	0	0	114.9	R139 I140 G141 Y145	R139-G143 PolarHBondContact O-N 2.91Å; I140-G143 PolarHBondContact O-N 2.89Å; G141-G143 VanDerWaalsContact C-N 3.3Å; G143-Y145 WeakPolarHBondContact O-CE1 3.32Å
144	K	84	Confident	87.8	Confident	165 Å²	165	59.4 Å²	59.4	72%	0.717	37%	0.367	S	S	*	.			trans	-98.9	127.5	-177.1	-63.1	-177.8	-179.1	-179.8	0	110.7	S142	S142-K144 PolarHBondContact O-N 3.34Å; S142-K144 PolarHBondContact OG-N 2.87Å
145	Y	91.9	Very high	87.7	Confident	48 Å²	48	54.8 Å²	54.8	19%	0.188	35%	0.345	C	S	.	.			trans	-149.4	162.7	171.7	48.1	-89.5	0	0	0	108.6	Y116 P124 F125 G143 L147 V163 S164 L167	Y116-Y145 HydrophobicContact CD2-CD2 4.02Å; Y116-Y145 AromaticContact CE2-CD2 3.69Å; Y116-Y145 HydrophobicContact CE2-CD2 3.69Å; Y116-Y145 HydrophobicContact CE2-CG 4.34Å; P124-Y145 HydrophobicContact CB-CG 4.29Å; F125-Y145 AromaticContact CE1-CD1 3.69Å; F125-Y145 HydrophobicContact CE1-CD1 3.69Å; F125-Y145 HydrophobicContact CE1-CG 4.41Å; F125-Y145 AromaticContact CZ-CD1 3.67Å; F125-Y145 HydrophobicContact CZ-CD1 3.67Å; F125-Y145 HydrophobicContact CZ-CE1 4.24Å; G143-Y145 WeakPolarHBondContact O-CE1 3.32Å; Y145-L147 HydrophobicContact CD2-CD2 4.11Å; Y145-L147 HydrophobicContact CD2-CG 4.02Å; Y145-L147 HydrophobicContact CE2-CD1 3.9Å; Y145-L147 HydrophobicContact CE2-CD2 3.89Å; Y145-L147 HydrophobicContact CE2-CG 3.81Å; Y145-V163 HydrophobicContact CE2-CG1 4.3Å; Y145-S164 VanDerWaalsContact OH-CA 3.22Å; Y145-S164 WeakPolarHBondContact OH-CA 3.29Å; Y145-L167 HydrophobicContact CE1-CB 3.81Å; Y145-L167 HydrophobicContact CE1-CD1 4.26Å; Y145-L167 HydrophobicContact CE2-CD1 4.32Å
146	A	91.9	Very high	87.6	Confident	44 Å²	44	53 Å²	53	36%	0.364	34%	0.343	S	S	.	.			trans	-80.7	130.1	-175.2	0	0	0	0	0	111.6	Y116 W152	Y116-A146 WeakPolarHBondContact CE2-O 3.05Å; Y116-A146 PolarHBondContact OH-O 3Å; Y116-A146 VanDerWaalsContact OH-O 3.04Å; A146-W152 PolarHBondContact O-NE1 3.47Å
147	L	93.7	Very high	87.8	Confident	44 Å²	44	59 Å²	59	23%	0.23	38%	0.375	C	S	.	.			trans	-122	26.8	169.2	-67.4	178.2	0	0	0	111.3	Y116 Y145 W152 K160 V163	Y116-L147 HydrophobicContact CD2-CD2 4.46Å; Y116-L147 HydrophobicContact CE2-CD2 4.26Å; Y145-L147 HydrophobicContact CD2-CD2 4.11Å; Y145-L147 HydrophobicContact CD2-CG 4.02Å; Y145-L147 HydrophobicContact CE2-CD1 3.9Å; Y145-L147 HydrophobicContact CE2-CD2 3.89Å; Y145-L147 HydrophobicContact CE2-CG 3.81Å; L147-W152 HydrophobicContact CD2-CD2 4.13Å; L147-W152 HydrophobicContact CD2-CE3 3.92Å; L147-W152 HydrophobicContact CD2-CH2 3.54Å; L147-W152 HydrophobicContact CD2-CZ2 3.74Å; L147-W152 HydrophobicContact CD2-CZ3 3.62Å; L147-K160 HydrophobicContact CD1-CB 4.4Å; L147-K160 WeakPolarHBondContact O-CE 3.18Å; L147-V163 HydrophobicContact CD2-CG1 4.23Å
148	S	93.3	Very high	88	Confident	86 Å²	86	57.3 Å²	57.3	60%	0.601	37%	0.372	S	S	*	.	S	Bend	trans	-146.8	152.4	-178.4	57.8	0	0	0	0	109.7
149	G	89.8	Confident	88.1	Confident	34 Å²	34	54.3 Å²	54.3	35%	0.351	35%	0.347	S	S	.	.	S	Bend	trans	85.3	146.7	-178.7	0	0	0	0	0	113.4	N151 W152 D153	G149-N151 PolarHBondContact O-N 3.49Å; G149-W152 WeakPolarHBondContact O-CB 3.47Å; G149-W152 PolarHBondContact O-N 3.11Å; G149-D153 WeakPolarHBondContact CA-OD1 3.5Å; G149-D153 VanDerWaalsContact CA-OD2 3.31Å; G149-D153 WeakPolarHBondContact CA-OD2 3.47Å; G149-D153 PolarHBondContact N-OD1 3.47Å
150	G	89.4	Confident	88.3	Confident	65 Å²	65	53 Å²	53	67%	0.67	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	61.7	-130.6	-179.8	0	0	0	0	0	111	W152 D153	G150-W152 PolarHBondContact O-N 3.38Å; G150-D153 PolarHBondContact O-N 2.81Å
151	N	83.4	Confident	88.6	Confident	17 Å²	17	54.9 Å²	54.9	9%	0.091	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-57	-34.3	178.1	-68.1	-8.6	0	0	0	112.7	L119 A120 G149 D153 S154 I155 L197 S198	L119-N151 VanDerWaalsContact O-CB 3.29Å; L119-N151 WeakPolarHBondContact O-CB 3.37Å; L119-N151 PolarHBondContact O-ND2 3.1Å; A120-N151 PolarHBondContact O-ND2 3.16Å; G149-N151 PolarHBondContact O-N 3.49Å; N151-D153 PolarHBondContact O-N 3.08Å; N151-D153 VanDerWaalsContact O-N 3.12Å; N151-S154 PolarHBondContact O-N 3.34Å; N151-S154 PolarHBondContact O-OG 3.19Å; N151-I155 HydrophobicContact CB-CD1 3.84Å; N151-I155 WeakPolarHBondContact O-CG1 3.46Å; N151-I155 PolarHBondContact O-N 2.95Å; N151-I155 VanDerWaalsContact O-N 3.07Å; N151-L197 HydrophobicContact CB-CD2 4.02Å; N151-S198 PolarHBondContact ND2-N 2.78Å; N151-S198 PolarHBondContact ND2-O 3.49Å; N151-S198 WeakPolarHBondContact OD1-CB 2.99Å; N151-S198 PolarHBondContact OD1-N 3.45Å
152	W	89.1	Confident	89.1	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-63	-21.1	-174.7	-70.4	114	0	0	0	113.8	Y116 L119 A120 A146 L147 G149 G150 S154 I155 K160 V163	Y116-W152 HydrophobicContact CD2-CH2 4.13Å; Y116-W152 AromaticContact CD2-CZ2 3.48Å; Y116-W152 HydrophobicContact CD2-CZ2 3.48Å; Y116-W152 VanDerWaalsContact CD2-CZ2 3.48Å; Y116-W152 HydrophobicContact CE1-CZ2 4.5Å; Y116-W152 AromaticContact CE2-CE2 3.94Å; Y116-W152 HydrophobicContact CE2-CH2 4.4Å; Y116-W152 AromaticContact CE2-CZ2 3.44Å; Y116-W152 HydrophobicContact CE2-CZ2 3.44Å; Y116-W152 VanDerWaalsContact CE2-CZ2 3.44Å; Y116-W152 AromaticContact CE2-NE1 3.97Å; Y116-W152 HydrophobicContact CG-CZ2 4.03Å; Y116-W152 AromaticContact CZ-CZ2 3.99Å; Y116-W152 AromaticContact CZ-NE1 3.82Å; L119-W152 HydrophobicContact CB-CH2 3.94Å; L119-W152 HydrophobicContact CB-CZ2 4.29Å; L119-W152 HydrophobicContact CB-CZ3 4.4Å; L119-W152 HydrophobicContact CD1-CH2 4.04Å; L119-W152 HydrophobicContact CD1-CZ3 4.26Å; A120-W152 HydrophobicContact CB-CZ2 3.86Å; A146-W152 PolarHBondContact O-NE1 3.47Å; L147-W152 HydrophobicContact CD2-CD2 4.13Å; L147-W152 HydrophobicContact CD2-CE3 3.92Å; L147-W152 HydrophobicContact CD2-CH2 3.54Å; L147-W152 HydrophobicContact CD2-CZ2 3.74Å; L147-W152 HydrophobicContact CD2-CZ3 3.62Å; G149-W152 WeakPolarHBondContact O-CB 3.47Å; G149-W152 PolarHBondContact O-N 3.11Å; G150-W152 PolarHBondContact O-N 3.38Å; W152-S154 PolarHBondContact O-N 2.77Å; W152-I155 HydrophobicContact CD2-CD1 3.9Å; W152-I155 HydrophobicContact CE3-CB 3.99Å; W152-I155 HydrophobicContact CE3-CD1 3.62Å; W152-I155 HydrophobicContact CE3-CG1 4.42Å; W152-I155 HydrophobicContact CE3-CG2 3.83Å; W152-I155 HydrophobicContact CG-CD1 4.41Å; W152-I155 HydrophobicContact CZ3-CB 4.45Å; W152-I155 HydrophobicContact CZ3-CD1 4Å; W152-I155 HydrophobicContact CZ3-CG2 3.81Å; W152-K160 HydrophobicContact CE3-CG 3.78Å; W152-K160 HydrophobicContact CZ3-CG 3.86Å; W152-K160 WeakPolarHBondContact O-CE 3.41Å; W152-K160 PolarHBondContact O-NZ 3.48Å; W152-V163 HydrophobicContact CH2-CG1 4.36Å; W152-V163 HydrophobicContact CH2-CG2 4.26Å
153	D	89.6	Confident	89.5	Confident	117 Å²	117	49.4 Å²	49.4	63%	0.626	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-71.1	-25	175.4	-62.3	-25.9	0	0	0	111.8	G149 G150 N151	G149-D153 WeakPolarHBondContact CA-OD1 3.5Å; G149-D153 VanDerWaalsContact CA-OD2 3.31Å; G149-D153 WeakPolarHBondContact CA-OD2 3.47Å; G149-D153 PolarHBondContact N-OD1 3.47Å; G150-D153 PolarHBondContact O-N 2.81Å; N151-D153 PolarHBondContact O-N 3.08Å; N151-D153 VanDerWaalsContact O-N 3.12Å
154	S	83.3	Confident	90.1	Very high	60 Å²	60	50 Å²	50	42%	0.42	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-16.6	177.7	71.7	0	0	0	0	114	N151 W152	N151-S154 PolarHBondContact O-N 3.34Å; N151-S154 PolarHBondContact O-OG 3.19Å; W152-S154 PolarHBondContact O-N 2.77Å
155	I	84.9	Confident	90.6	Very high	16 Å²	16	45.8 Å²	45.8	8%	0.082	29%	0.289	C	S	.	.	S	Bend	trans	-74.5	132.7	-180	-72.2	162.4	0	0	0	110.3	L119 N151 W152 A159 K160 L197	L119-I155 HydrophobicContact CB-CD1 3.74Å; L119-I155 HydrophobicContact CD2-CD1 4.38Å; L119-I155 WeakPolarHBondContact O-CD1 3.41Å; N151-I155 HydrophobicContact CB-CD1 3.84Å; N151-I155 WeakPolarHBondContact O-CG1 3.46Å; N151-I155 PolarHBondContact O-N 2.95Å; N151-I155 VanDerWaalsContact O-N 3.07Å; W152-I155 HydrophobicContact CD2-CD1 3.9Å; W152-I155 HydrophobicContact CE3-CB 3.99Å; W152-I155 HydrophobicContact CE3-CD1 3.62Å; W152-I155 HydrophobicContact CE3-CG1 4.42Å; W152-I155 HydrophobicContact CE3-CG2 3.83Å; W152-I155 HydrophobicContact CG-CD1 4.41Å; W152-I155 HydrophobicContact CZ3-CB 4.45Å; W152-I155 HydrophobicContact CZ3-CD1 4Å; W152-I155 HydrophobicContact CZ3-CG2 3.81Å; I155-A159 HydrophobicContact CG2-CB 3.44Å; I155-A159 VanDerWaalsContact CG2-CB 3.44Å; I155-K160 HydrophobicContact CG2-CG 4.34Å; I155-K160 VanDerWaalsContact O-CE 3.32Å; I155-K160 WeakPolarHBondContact O-CE 3.32Å; I155-K160 PolarHBondContact O-NZ 3.15Å; I155-L197 HydrophobicContact CD1-CD2 4.45Å; I155-L197 HydrophobicContact CG1-CD2 4.26Å
156	S	87.4	Confident	90.7	Very high	54 Å²	54	43.6 Å²	43.6	38%	0.378	28%	0.28	S	S	.	.			trans	-57.9	149.7	179.9	70	0	0	0	0	113.6	A158 A159 K160	S156-A158 PolarHBondContact O-N 3.12Å; S156-A159 WeakPolarHBondContact O-CB 3.28Å; S156-A159 PolarHBondContact O-N 2.78Å; S156-A159 WeakPolarHBondContact OG-CB 3.36Å; S156-A159 PolarHBondContact OG-N 3.18Å; S156-K160 PolarHBondContact O-N 3.39Å
157	D	91.3	Very high	90.8	Very high	125 Å²	125	41.6 Å²	41.6	67%	0.668	26%	0.264	S	S	*	.	H	α-helix	trans	-61.4	-31.9	175.8	-66.2	-30.9	0	0	0	112.7	A159 K160 D161	D157-A159 VanDerWaalsContact C-N 3.29Å; D157-A159 PolarHBondContact O-N 2.88Å; D157-K160 PolarHBondContact O-N 3.39Å; D157-D161 VanDerWaalsContact O-CB 3.29Å; D157-D161 WeakPolarHBondContact O-CB 3.06Å; D157-D161 PolarHBondContact O-N 3.4Å
158	A	88.6	Confident	90.8	Very high	37 Å²	37	42.4 Å²	42.4	31%	0.306	27%	0.266	S	S	.	.	H	α-helix	trans	-63.7	-34.8	175.5	0	0	0	0	0	112.5	S156 V162 H183 W185	S156-A158 PolarHBondContact O-N 3.12Å; A158-V162 PolarHBondContact O-N 3.12Å; A158-V162 VanDerWaalsContact O-N 3.12Å; A158-H183 PolarHBondContact O-CE1 3.48Å; A158-W185 HydrophobicContact CB-CB 4Å
159	A	88.2	Confident	90.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-70.4	-44.2	175.4	0	0	0	0	0	111.2	L119 I155 S156 D157 D161 V162 V163 W185	L119-A159 HydrophobicContact CD1-CB 4.19Å; I155-A159 HydrophobicContact CG2-CB 3.44Å; I155-A159 VanDerWaalsContact CG2-CB 3.44Å; S156-A159 WeakPolarHBondContact O-CB 3.28Å; S156-A159 PolarHBondContact O-N 2.78Å; S156-A159 WeakPolarHBondContact OG-CB 3.36Å; S156-A159 PolarHBondContact OG-N 3.18Å; D157-A159 VanDerWaalsContact C-N 3.29Å; D157-A159 PolarHBondContact O-N 2.88Å; A159-D161 VanDerWaalsContact C-N 3.28Å; A159-D161 PolarHBondContact O-N 3.07Å; A159-V162 VanDerWaalsContact O-CG1 3.25Å; A159-V162 WeakPolarHBondContact O-CG1 3.39Å; A159-V162 PolarHBondContact O-N 2.81Å; A159-V163 WeakPolarHBondContact O-CB 3.35Å; A159-V163 VanDerWaalsContact O-CG2 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.35Å; A159-V163 PolarHBondContact O-N 3.02Å; A159-V163 VanDerWaalsContact O-N 3.08Å; A159-W185 VanDerWaalsContact CA-CD1 3.44Å; A159-W185 HydrophobicContact CB-CD2 4.36Å; A159-W185 HydrophobicContact CB-CG 4.17Å; A159-W185 VanDerWaalsContact CB-NE1 3.26Å
160	K	93.1	Very high	90.5	Very high	40 Å²	40	42.5 Å²	42.5	17%	0.174	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-42.9	175	-67	173.9	-176.2	168.1	0	110.8	L147 W152 I155 S156 D157 V163 S164	L147-K160 HydrophobicContact CD1-CB 4.4Å; L147-K160 WeakPolarHBondContact O-CE 3.18Å; W152-K160 HydrophobicContact CE3-CG 3.78Å; W152-K160 HydrophobicContact CZ3-CG 3.86Å; W152-K160 WeakPolarHBondContact O-CE 3.41Å; W152-K160 PolarHBondContact O-NZ 3.48Å; I155-K160 HydrophobicContact CG2-CG 4.34Å; I155-K160 VanDerWaalsContact O-CE 3.32Å; I155-K160 WeakPolarHBondContact O-CE 3.32Å; I155-K160 PolarHBondContact O-NZ 3.15Å; S156-K160 PolarHBondContact O-N 3.39Å; D157-K160 PolarHBondContact O-N 3.39Å; K160-V163 PolarHBondContact O-N 2.86Å; K160-S164 VanDerWaalsContact O-CB 3.3Å; K160-S164 WeakPolarHBondContact O-CB 3.32Å; K160-S164 PolarHBondContact O-N 2.88Å; K160-S164 PolarHBondContact O-OG 3.37Å
161	D	95.2	Very high	90.3	Very high	60 Å²	60	41.1 Å²	41.1	32%	0.321	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-49.6	178.7	-176.5	52.8	0	0	0	111.9	D157 A159 V163 S164 K165 H183	D157-D161 VanDerWaalsContact O-CB 3.29Å; D157-D161 WeakPolarHBondContact O-CB 3.06Å; D157-D161 PolarHBondContact O-N 3.4Å; A159-D161 VanDerWaalsContact C-N 3.28Å; A159-D161 PolarHBondContact O-N 3.07Å; D161-V163 PolarHBondContact O-N 2.94Å; D161-S164 PolarHBondContact O-N 3.45Å; D161-S164 PolarHBondContact O-OG 2.76Å; D161-K165 WeakPolarHBondContact O-CG 3.3Å; D161-K165 PolarHBondContact O-N 3.38Å; D161-K165 VanDerWaalsContact O-N 3.08Å; D161-K165 WeakPolarHBondContact OD1-CE 3.35Å; D161-K165 IonicContact OD1-NZ 3Å; D161-K165 PolarHBondContact OD1-NZ 2.9Å; D161-K165 IonicContact OD2-NZ 2.68Å; D161-K165 PolarHBondContact OD2-NZ 2.94Å; D161-H183 IonicContact OD2-CE1 3.36Å; D161-H183 PolarHBondContact OD2-CE1 2.93Å; D161-H183 IonicContact OD2-NE2 2.92Å; D161-H183 PolarHBondContact OD2-NE2 3.48Å
162	V	92.8	Very high	90.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-43.2	179.1	70.8	0	0	0	0	112	L115 A158 A159 S164 K165 M166 L175 V180 H183 W185	L115-V162 HydrophobicContact CD2-CG1 3.86Å; A158-V162 PolarHBondContact O-N 3.12Å; A158-V162 VanDerWaalsContact O-N 3.12Å; A159-V162 VanDerWaalsContact O-CG1 3.25Å; A159-V162 WeakPolarHBondContact O-CG1 3.39Å; A159-V162 PolarHBondContact O-N 2.81Å; V162-S164 VanDerWaalsContact C-N 3.27Å; V162-S164 PolarHBondContact O-N 2.73Å; V162-K165 PolarHBondContact O-N 2.92Å; V162-M166 HydrophobicContact CG2-CG 4.38Å; V162-M166 HydrophobicContact CG2-SD 3.99Å; V162-M166 VanDerWaalsContact O-CG 3.27Å; V162-M166 WeakPolarHBondContact O-CG 3.43Å; V162-M166 PolarHBondContact O-N 3.22Å; V162-L175 HydrophobicContact CG2-CD1 4.34Å; V162-V180 HydrophobicContact CG2-CG1 4.28Å; V162-H183 HydrophobicContact CG2-CB 4.1Å; V162-W185 HydrophobicContact CG1-CB 4.2Å; V162-W185 HydrophobicContact CG1-CD2 3.96Å; V162-W185 HydrophobicContact CG1-CE3 3.73Å; V162-W185 HydrophobicContact CG1-CG 4.17Å; V162-W185 HydrophobicContact CG1-CZ3 4.48Å
163	V	94	Very high	90.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.2	-44.2	175.8	169.2	0	0	0	0	109.7	L115 Y116 L119 Y145 L147 W152 A159 K160 D161 K165 M166 L167	L115-V163 HydrophobicContact CD2-CG2 3.7Å; L115-V163 HydrophobicContact CG-CG2 3.73Å; Y116-V163 HydrophobicContact CD2-CG1 3.94Å; L119-V163 HydrophobicContact CD1-CG2 3.89Å; Y145-V163 HydrophobicContact CE2-CG1 4.3Å; L147-V163 HydrophobicContact CD2-CG1 4.23Å; W152-V163 HydrophobicContact CH2-CG1 4.36Å; W152-V163 HydrophobicContact CH2-CG2 4.26Å; A159-V163 WeakPolarHBondContact O-CB 3.35Å; A159-V163 VanDerWaalsContact O-CG2 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.35Å; A159-V163 PolarHBondContact O-N 3.02Å; A159-V163 VanDerWaalsContact O-N 3.08Å; K160-V163 PolarHBondContact O-N 2.86Å; D161-V163 PolarHBondContact O-N 2.94Å; V163-K165 VanDerWaalsContact C-N 3.3Å; V163-K165 PolarHBondContact O-N 3.45Å; V163-M166 PolarHBondContact O-N 3.18Å; V163-L167 HydrophobicContact CG1-CD1 3.98Å; V163-L167 WeakPolarHBondContact O-CB 3.23Å; V163-L167 PolarHBondContact O-N 3.14Å
164	S	96.3	Very high	90.6	Very high	37 Å²	37	49.6 Å²	49.6	26%	0.259	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-38.7	-178	77.6	0	0	0	0	113.7	Y145 K160 D161 V162 L167 H168	Y145-S164 VanDerWaalsContact OH-CA 3.22Å; Y145-S164 WeakPolarHBondContact OH-CA 3.29Å; K160-S164 VanDerWaalsContact O-CB 3.3Å; K160-S164 WeakPolarHBondContact O-CB 3.32Å; K160-S164 PolarHBondContact O-N 2.88Å; K160-S164 PolarHBondContact O-OG 3.37Å; D161-S164 PolarHBondContact O-N 3.45Å; D161-S164 PolarHBondContact O-OG 2.76Å; V162-S164 VanDerWaalsContact C-N 3.27Å; V162-S164 PolarHBondContact O-N 2.73Å; S164-L167 CarbonylContact O-C 3.55Å; S164-H168 PolarHBondContact O-N 3.43Å
165	K	95.9	Very high	90.9	Very high	76 Å²	76	47.9 Å²	47.9	33%	0.33	25%	0.253	S	S	.	.	H	α-helix	trans	-81.4	-24.4	179.7	-60.4	167.6	170.7	159.9	0	112.9	D161 V162 V163 R174 L175	D161-K165 WeakPolarHBondContact O-CG 3.3Å; D161-K165 PolarHBondContact O-N 3.38Å; D161-K165 VanDerWaalsContact O-N 3.08Å; D161-K165 WeakPolarHBondContact OD1-CE 3.35Å; D161-K165 IonicContact OD1-NZ 3Å; D161-K165 PolarHBondContact OD1-NZ 2.9Å; D161-K165 IonicContact OD2-NZ 2.68Å; D161-K165 PolarHBondContact OD2-NZ 2.94Å; V162-K165 PolarHBondContact O-N 2.92Å; V163-K165 VanDerWaalsContact C-N 3.3Å; V163-K165 PolarHBondContact O-N 3.45Å; K165-R174 WeakPolarHBondContact O-CA 3.09Å; K165-L175 HydrophobicContact CB-CD1 3.72Å; K165-L175 HydrophobicContact CB-CD2 4.09Å; K165-L175 HydrophobicContact CB-CG 3.56Å; K165-L175 HydrophobicContact CD-CD1 4.2Å; K165-L175 HydrophobicContact CD-CD2 4.22Å; K165-L175 HydrophobicContact CD-CG 4.4Å; K165-L175 PolarHBondContact O-N 3.37Å; K165-L175 VanDerWaalsContact O-N 3.15Å
166	M	93.9	Very high	90.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-76.4	-35.2	171	-69	176.5	77.5	0	0	111.9	I108 L111 L115 V162 V163 H168 R174 V180	I108-M166 HydrophobicContact CG2-CB 4.1Å; I108-M166 HydrophobicContact CG2-CE 4.13Å; I108-M166 HydrophobicContact CG2-CG 3.95Å; L111-M166 HydrophobicContact CB-CE 3.43Å; L111-M166 VanDerWaalsContact CB-CE 3.43Å; L115-M166 HydrophobicContact CD2-SD 3.95Å; V162-M166 HydrophobicContact CG2-CG 4.38Å; V162-M166 HydrophobicContact CG2-SD 3.99Å; V162-M166 VanDerWaalsContact O-CG 3.27Å; V162-M166 WeakPolarHBondContact O-CG 3.43Å; V162-M166 PolarHBondContact O-N 3.22Å; V163-M166 PolarHBondContact O-N 3.18Å; M166-H168 VanDerWaalsContact C-N 3.33Å; M166-R174 VanDerWaalsContact O-CD 3.22Å; M166-R174 WeakPolarHBondContact O-CD 3.24Å; M166-R174 VanDerWaalsContact O-CG 3.28Å; M166-R174 WeakPolarHBondContact O-CG 3.3Å; M166-V180 HydrophobicContact CE-CG1 4.32Å; M166-V180 HydrophobicContact CE-CG2 4.3Å; M166-V180 HydrophobicContact CG-CG2 3.87Å; M166-V180 HydrophobicContact SD-CG1 3.98Å; M166-V180 HydrophobicContact SD-CG2 4.07Å
167	L	94.5	Very high	90.1	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.264	C	S	.	.	S	Bend	trans	-95.6	26.3	177.8	-66.4	-177.6	0	0	0	113.3	W109 I113 Y116 P124 F125 Y145 V163 S164	W109-L167 HydrophobicContact CD2-CD2 3.95Å; W109-L167 HydrophobicContact CE3-CD2 4.08Å; W109-L167 HydrophobicContact CG-CD2 4.4Å; W109-L167 HydrophobicContact CZ2-CD2 4.41Å; W109-L167 VanDerWaalsContact CZ3-C 3.45Å; W109-L167 HydrophobicContact CZ3-CB 4.38Å; W109-L167 HydrophobicContact CZ3-CD2 4.42Å; W109-L167 VanDerWaalsContact CZ3-O 3.23Å; W109-L167 WeakPolarHBondContact CZ3-O 3.47Å; I113-L167 HydrophobicContact CD1-CD2 3.79Å; I113-L167 HydrophobicContact CG1-CD2 4Å; Y116-L167 HydrophobicContact CD2-CD1 4.34Å; P124-L167 HydrophobicContact CB-CD1 4.33Å; P124-L167 HydrophobicContact CG-CD1 4.23Å; F125-L167 HydrophobicContact CE2-CD2 4.42Å; Y145-L167 HydrophobicContact CE1-CB 3.81Å; Y145-L167 HydrophobicContact CE1-CD1 4.26Å; Y145-L167 HydrophobicContact CE2-CD1 4.32Å; V163-L167 HydrophobicContact CG1-CD1 3.98Å; V163-L167 WeakPolarHBondContact O-CB 3.23Å; V163-L167 PolarHBondContact O-N 3.14Å; S164-L167 CarbonylContact O-C 3.55Å
168	H	93.9	Very high	89.4	Confident	61 Å²	61	47.9 Å²	47.9	28%	0.282	25%	0.254	S	S	.	.			trans	-71.2	131.1	173.6	-162.2	-78	0	0	0	110.5	W109 S164 M166 D170 Q173 R174	W109-H168 WeakPolarHBondContact CZ3-O 3.48Å; S164-H168 PolarHBondContact O-N 3.43Å; M166-H168 VanDerWaalsContact C-N 3.33Å; H168-D170 PolarHBondContact ND1-N 3.37Å; H168-D170 VanDerWaalsContact ND1-N 3.14Å; H168-D170 PolarHBondContact ND1-O 2.83Å; H168-Q173 VanDerWaalsContact CE1-CD 3.46Å; H168-Q173 WeakPolarHBondContact ND1-CB 3.48Å; H168-Q173 PolarHBondContact NE2-OE1 3.04Å; H168-R174 HydrophobicContact CB-CB 4.49Å; H168-R174 PolarHBondContact O-NE 2.81Å; H168-R174 PolarHBondContact O-NH2 3.2Å
169	V	89.4	Confident	89.2	Confident	68 Å²	68	50.8 Å²	50.8	41%	0.412	26%	0.261	S	S	.	.	S	Bend	trans	-63.5	-44.5	-176.3	178.3	0	0	0	0	111.4	P171 R174	V169-P171 WeakPolarHBondContact O-CD 3.3Å; V169-R174 PolarHBondContact O-NH2 3.2Å
170	D	86.4	Confident	89	Confident	54 Å²	54	51 Å²	51	29%	0.289	26%	0.263	S	S	.	.	S	Bend	trans	-73.1	115.6	173	179.7	0.5	0	0	0	110.1	H168 H172 Q173 R174	H168-D170 PolarHBondContact ND1-N 3.37Å; H168-D170 VanDerWaalsContact ND1-N 3.14Å; H168-D170 PolarHBondContact ND1-O 2.83Å; D170-H172 PolarHBondContact O-N 2.8Å; D170-H172 WeakPolarHBondContact OD1-CB 3.4Å; D170-H172 IonicContact OD1-CD2 2.98Å; D170-H172 PolarHBondContact OD1-CD2 3.42Å; D170-H172 IonicContact OD1-CG 3.74Å; D170-H172 PolarHBondContact OD1-N 3.48Å; D170-Q173 HydrophobicContact CB-CB 4.37Å; D170-Q173 HydrophobicContact CB-CG 4.42Å; D170-Q173 PolarHBondContact O-N 3.37Å; D170-Q173 PolarHBondContact OD2-NE2 3Å; D170-R174 PolarHBondContact O-N 3.28Å
171	P	85.3	Confident	88.3	Confident	36 Å²	36	51.1 Å²	51.1	23%	0.234	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.4	-179.8	27.6	-35.6	0	0	0	113.3	Y102 A105 V169 R174	Y102-P171 HydrophobicContact CD2-CG 4.35Å; A105-P171 HydrophobicContact CB-CB 3.75Å; V169-P171 WeakPolarHBondContact O-CD 3.3Å; P171-R174 WeakPolarHBondContact O-CB 3.23Å; P171-R174 PolarHBondContact O-N 3.27Å
172	H	85.9	Confident	87.8	Confident	170 Å²	170	55.1 Å²	55.1	79%	0.787	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-22.7	177.7	-62.9	-61.7	0	0	0	113.3	D170	D170-H172 PolarHBondContact O-N 2.8Å; D170-H172 WeakPolarHBondContact OD1-CB 3.4Å; D170-H172 IonicContact OD1-CD2 2.98Å; D170-H172 PolarHBondContact OD1-CD2 3.42Å; D170-H172 IonicContact OD1-CG 3.74Å; D170-H172 PolarHBondContact OD1-N 3.48Å
173	Q	89.9	Confident	87.7	Confident	120 Å²	120	55.7 Å²	55.7	56%	0.561	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-9.8	174.3	-67.9	-179	65.7	0	0	112.1	H168 D170	H168-Q173 VanDerWaalsContact CE1-CD 3.46Å; H168-Q173 WeakPolarHBondContact ND1-CB 3.48Å; H168-Q173 PolarHBondContact NE2-OE1 3.04Å; D170-Q173 HydrophobicContact CB-CB 4.37Å; D170-Q173 HydrophobicContact CB-CG 4.42Å; D170-Q173 PolarHBondContact O-N 3.37Å; D170-Q173 PolarHBondContact OD2-NE2 3Å
174	R	92.9	Very high	87.4	Confident	24 Å²	24	59.1 Å²	59.1	9%	0.091	30%	0.304	C	S	.	.	S	Bend	trans	-69.1	140.4	176.2	-164.1	176.1	-60.1	151	5.3	110.3	A105 I108 W109 K165 M166 H168 V169 D170 P171	A105-R174 VanDerWaalsContact C-NH1 3.25Å; A105-R174 VanDerWaalsContact O-CD 3.23Å; A105-R174 WeakPolarHBondContact O-CD 3.22Å; A105-R174 PolarHBondContact O-NH1 3.29Å; I108-R174 HydrophobicContact CB-CG 4.46Å; I108-R174 HydrophobicContact CG2-CG 4.06Å; W109-R174 VanDerWaalsContact CE3-NH2 3.32Å; K165-R174 WeakPolarHBondContact O-CA 3.09Å; M166-R174 VanDerWaalsContact O-CD 3.22Å; M166-R174 WeakPolarHBondContact O-CD 3.24Å; M166-R174 VanDerWaalsContact O-CG 3.28Å; M166-R174 WeakPolarHBondContact O-CG 3.3Å; H168-R174 HydrophobicContact CB-CB 4.49Å; H168-R174 PolarHBondContact O-NE 2.81Å; H168-R174 PolarHBondContact O-NH2 3.2Å; V169-R174 PolarHBondContact O-NH2 3.2Å; D170-R174 PolarHBondContact O-N 3.28Å; P171-R174 WeakPolarHBondContact O-CB 3.23Å; P171-R174 PolarHBondContact O-N 3.27Å
175	L	88.5	Confident	86.9	Confident	23 Å²	23	58.3 Å²	58.3	12%	0.12	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-60.1	146.8	175	-63.8	-178.1	0	0	0	111	I108 V162 K165 Q179 V180	I108-L175 WeakPolarHBondContact CG1-O 3.31Å; I108-L175 WeakPolarHBondContact CG2-O 3.43Å; V162-L175 HydrophobicContact CG2-CD1 4.34Å; K165-L175 HydrophobicContact CB-CD1 3.72Å; K165-L175 HydrophobicContact CB-CD2 4.09Å; K165-L175 HydrophobicContact CB-CG 3.56Å; K165-L175 HydrophobicContact CD-CD1 4.2Å; K165-L175 HydrophobicContact CD-CD2 4.22Å; K165-L175 HydrophobicContact CD-CG 4.4Å; K165-L175 PolarHBondContact O-N 3.37Å; K165-L175 VanDerWaalsContact O-N 3.15Å; L175-Q179 HydrophobicContact CB-CB 4.2Å; L175-Q179 HydrophobicContact CD2-CB 3.94Å; L175-Q179 HydrophobicContact CG-CB 4.49Å; L175-V180 HydrophobicContact CB-CG2 3.67Å; L175-V180 HydrophobicContact CD1-CG2 3.93Å; L175-V180 HydrophobicContact CG-CG2 4.45Å
176	T	81.9	Confident	86.2	Confident	75 Å²	75	55 Å²	55	46%	0.46	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-81.5	159.6	161.8	62	0	0	0	0	110.1	M178 Q179 V180	T176-M178 PolarHBondContact O-N 2.89Å; T176-Q179 WeakPolarHBondContact O-CB 3.31Å; T176-Q179 PolarHBondContact O-N 3.26Å; T176-Q179 VanDerWaalsContact OG1-CD 3.31Å; T176-Q179 VanDerWaalsContact OG1-CG 3.3Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.42Å; T176-Q179 PolarHBondContact OG1-N 2.99Å; T176-Q179 PolarHBondContact OG1-OE1 3.09Å; T176-V180 WeakPolarHBondContact O-CG2 3.29Å; T176-V180 PolarHBondContact O-N 3.44Å
177	A	75.1	Confident	85.6	Confident	28 Å²	28	58.9 Å²	58.9	23%	0.231	31%	0.305	C	S	.	.	H	α-helix	trans	-51.4	-43.9	176.5	0	0	0	0	0	112.4	I108 Q179 V180 L181	I108-A177 HydrophobicContact CD1-CB 3.89Å; A177-Q179 VanDerWaalsContact C-N 3.3Å; A177-Q179 PolarHBondContact O-N 3.17Å; A177-V180 PolarHBondContact O-N 2.96Å; A177-L181 WeakPolarHBondContact O-CG 3.43Å; A177-L181 PolarHBondContact O-N 2.72Å
178	M	74.8	Confident	84.8	Confident	92 Å²	92	62.8 Å²	62.8	45%	0.453	33%	0.326	S	S	.	.	H	α-helix	trans	-62.6	-36.7	178.6	-173.9	60.4	62.4	0	0	112.5	T176 K182	T176-M178 PolarHBondContact O-N 2.89Å; M178-K182 HydrophobicContact CG-CD 4.48Å; M178-K182 WeakPolarHBondContact O-CG 3.3Å; M178-K182 PolarHBondContact O-N 3.38Å
179	Q	84.9	Confident	83.5	Confident	99 Å²	99	65.8 Å²	65.8	46%	0.463	34%	0.335	S	S	.	.	H	α-helix	trans	-72.2	-37.2	175.9	-70.3	164.6	-45.9	0	0	111.8	L175 T176 A177 K182 H183	L175-Q179 HydrophobicContact CB-CB 4.2Å; L175-Q179 HydrophobicContact CD2-CB 3.94Å; L175-Q179 HydrophobicContact CG-CB 4.49Å; T176-Q179 WeakPolarHBondContact O-CB 3.31Å; T176-Q179 PolarHBondContact O-N 3.26Å; T176-Q179 VanDerWaalsContact OG1-CD 3.31Å; T176-Q179 VanDerWaalsContact OG1-CG 3.3Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.42Å; T176-Q179 PolarHBondContact OG1-N 2.99Å; T176-Q179 PolarHBondContact OG1-OE1 3.09Å; A177-Q179 VanDerWaalsContact C-N 3.3Å; A177-Q179 PolarHBondContact O-N 3.17Å; Q179-K182 PolarHBondContact O-N 3.46Å; Q179-H183 PolarHBondContact O-N 3.43Å; Q179-H183 VanDerWaalsContact O-N 3.12Å
180	V	84.7	Confident	82.5	Confident	5 Å²	5	70.1 Å²	70.1	3%	0.03	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-46.1	173.9	178.4	0	0	0	0	110.6	L9 I108 V162 M166 L175 T176 A177 K182 H183 V186	L9-V180 HydrophobicContact CD1-CG1 3.56Å; I108-V180 HydrophobicContact CG2-CG2 4.43Å; V162-V180 HydrophobicContact CG2-CG1 4.28Å; M166-V180 HydrophobicContact CE-CG1 4.32Å; M166-V180 HydrophobicContact CE-CG2 4.3Å; M166-V180 HydrophobicContact CG-CG2 3.87Å; M166-V180 HydrophobicContact SD-CG1 3.98Å; M166-V180 HydrophobicContact SD-CG2 4.07Å; L175-V180 HydrophobicContact CB-CG2 3.67Å; L175-V180 HydrophobicContact CD1-CG2 3.93Å; L175-V180 HydrophobicContact CG-CG2 4.45Å; T176-V180 WeakPolarHBondContact O-CG2 3.29Å; T176-V180 PolarHBondContact O-N 3.44Å; A177-V180 PolarHBondContact O-N 2.96Å; V180-K182 PolarHBondContact O-N 3.17Å; V180-H183 WeakPolarHBondContact O-CB 3.18Å; V180-H183 PolarHBondContact O-N 3.41Å; V180-V186 WeakPolarHBondContact O-CG2 3.32Å
181	L	78.1	Confident	81.6	Confident	42 Å²	42	76.8 Å²	76.8	22%	0.22	37%	0.373	C	S	.	.	H	α-helix	trans	-63.6	-28	-180	-68.8	169.1	0	0	0	113.8	Q5 L9 A177 H183 V187	Q5-L181 HydrophobicContact CB-CD1 3.95Å; Q5-L181 HydrophobicContact CG-CD1 4.36Å; L9-L181 HydrophobicContact CB-CD2 4.39Å; L9-L181 HydrophobicContact CD1-CD2 4.11Å; A177-L181 WeakPolarHBondContact O-CG 3.43Å; A177-L181 PolarHBondContact O-N 2.72Å; L181-H183 VanDerWaalsContact C-N 3.35Å; L181-V187 WeakPolarHBondContact O-CG2 3.48Å
182	K	85.1	Confident	80.7	Confident	144 Å²	144	78.2 Å²	78.2	63%	0.626	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.3	176.4	-67.7	176.4	-179.6	179.8	0	112.8	M178 Q179 V180	M178-K182 HydrophobicContact CG-CD 4.48Å; M178-K182 WeakPolarHBondContact O-CG 3.3Å; M178-K182 PolarHBondContact O-N 3.38Å; Q179-K182 PolarHBondContact O-N 3.46Å; V180-K182 PolarHBondContact O-N 3.17Å
183	H	89.4	Confident	79.8	Confident	12 Å²	12	73.5 Å²	73.5	6%	0.056	37%	0.365	C	S	.	.	S	Bend	trans	-65.5	139.1	-177.4	-163.6	-88.9	0	0	0	110.5	A158 D161 V162 Q179 V180 L181 W185 V186 V187	A158-H183 PolarHBondContact O-CE1 3.48Å; D161-H183 IonicContact OD2-CE1 3.36Å; D161-H183 PolarHBondContact OD2-CE1 2.93Å; D161-H183 IonicContact OD2-NE2 2.92Å; D161-H183 PolarHBondContact OD2-NE2 3.48Å; V162-H183 HydrophobicContact CG2-CB 4.1Å; Q179-H183 PolarHBondContact O-N 3.43Å; Q179-H183 VanDerWaalsContact O-N 3.12Å; V180-H183 WeakPolarHBondContact O-CB 3.18Å; V180-H183 PolarHBondContact O-N 3.41Å; L181-H183 VanDerWaalsContact C-N 3.35Å; H183-W185 PolarHBondContact ND1-N 3.1Å; H183-W185 PolarHBondContact O-N 2.9Å; H183-W185 VanDerWaalsContact O-N 3.1Å; H183-V186 HydrophobicContact CB-CG2 4.37Å; H183-V186 PolarHBondContact O-N 3.47Å; H183-V187 PolarHBondContact O-N 3.32Å
184	P	88.6	Confident	78.4	Confident	72 Å²	72	73.7 Å²	73.7	47%	0.468	38%	0.376	S	S	.	.	H	α-helix	trans	-52	-37.9	-179.4	-30.2	35.7	0	0	0	114	V186 V187 N188	P184-V186 VanDerWaalsContact C-N 3.27Å; P184-V186 PolarHBondContact O-N 3.46Å; P184-V187 PolarHBondContact O-N 3.07Å; P184-N188 VanDerWaalsContact O-CB 3.23Å; P184-N188 WeakPolarHBondContact O-CB 3.46Å; P184-N188 PolarHBondContact O-N 2.89Å
185	W	85.6	Confident	77.1	Confident	20 Å²	20	77 Å²	77	8%	0.076	40%	0.396	C	S	.	.	H	α-helix	trans	-59.3	-34.8	175.8	-173.5	71.1	0	0	0	113.7	I13 L115 L119 A158 A159 V162 H183 L192	I13-W185 HydrophobicContact CD1-CH2 3.86Å; I13-W185 HydrophobicContact CD1-CZ3 4.14Å; I13-W185 HydrophobicContact CG1-CH2 3.97Å; I13-W185 HydrophobicContact CG1-CZ3 4.48Å; L115-W185 HydrophobicContact CD1-CH2 3.42Å; L115-W185 VanDerWaalsContact CD1-CH2 3.42Å; L115-W185 HydrophobicContact CD1-CZ2 4.28Å; L115-W185 HydrophobicContact CD1-CZ3 3.76Å; L115-W185 HydrophobicContact CD2-CH2 4.44Å; L115-W185 HydrophobicContact CD2-CZ3 4Å; L119-W185 HydrophobicContact CD2-CZ2 4.39Å; A158-W185 HydrophobicContact CB-CB 4Å; A159-W185 VanDerWaalsContact CA-CD1 3.44Å; A159-W185 HydrophobicContact CB-CD2 4.36Å; A159-W185 HydrophobicContact CB-CG 4.17Å; A159-W185 VanDerWaalsContact CB-NE1 3.26Å; V162-W185 HydrophobicContact CG1-CB 4.2Å; V162-W185 HydrophobicContact CG1-CD2 3.96Å; V162-W185 HydrophobicContact CG1-CE3 3.73Å; V162-W185 HydrophobicContact CG1-CG 4.17Å; V162-W185 HydrophobicContact CG1-CZ3 4.48Å; H183-W185 PolarHBondContact ND1-N 3.1Å; H183-W185 PolarHBondContact O-N 2.9Å; H183-W185 VanDerWaalsContact O-N 3.1Å; W185-L192 VanDerWaalsContact NE1-CD2 3.32Å
186	V	80.6	Confident	76.2	Confident	8 Å²	8	85.3 Å²	85.3	5%	0.048	43%	0.434	C	S	.	.	H	α-helix	trans	-85.4	-37.8	-179.3	178.3	0	0	0	0	111.7	L9 V180 H183 P184	L9-V186 HydrophobicContact CD1-CG1 4.18Å; L9-V186 HydrophobicContact CD1-CG2 3.87Å; V180-V186 WeakPolarHBondContact O-CG2 3.32Å; H183-V186 HydrophobicContact CB-CG2 4.37Å; H183-V186 PolarHBondContact O-N 3.47Å; P184-V186 VanDerWaalsContact C-N 3.27Å; P184-V186 PolarHBondContact O-N 3.46Å
187	V	81.6	Confident	75.8	Confident	81 Å²	81	84.5 Å²	84.5	49%	0.491	43%	0.427	S	S	.	.	H	α-helix	trans	-76.5	-40.4	-177	179.1	0	0	0	0	111.2	L181 H183 P184 R189	L181-V187 WeakPolarHBondContact O-CG2 3.48Å; H183-V187 PolarHBondContact O-N 3.32Å; P184-V187 PolarHBondContact O-N 3.07Å; V187-R189 VanDerWaalsContact C-N 3.26Å; V187-R189 PolarHBondContact O-N 3.36Å
188	N	79.1	Confident	75.8	Confident	85 Å²	85	87.2 Å²	87.2	46%	0.455	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	40.2	-175.8	-61.2	-24.2	0	0	0	112.3	P184 E190 Y191	P184-N188 VanDerWaalsContact O-CB 3.23Å; P184-N188 WeakPolarHBondContact O-CB 3.46Å; P184-N188 PolarHBondContact O-N 2.89Å; N188-E190 PolarHBondContact O-N 2.84Å; N188-E190 VanDerWaalsContact O-N 3.11Å; N188-Y191 HydrophobicContact CB-CD2 4.07Å; N188-Y191 PolarHBondContact O-N 3.26Å; N188-Y191 VanDerWaalsContact O-N 3.16Å
189	R	66.5	Low	75.7	Confident	123 Å²	123	89 Å²	89	46%	0.464	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-58.5	-26.4	-174	65	178.7	173.4	177.7	-2	114.4	V187 Y191 L192	V187-R189 VanDerWaalsContact C-N 3.26Å; V187-R189 PolarHBondContact O-N 3.36Å; R189-Y191 PolarHBondContact O-N 3.36Å; R189-Y191 VanDerWaalsContact O-N 3.14Å; R189-L192 HydrophobicContact CB-CD1 4.04Å; R189-L192 WeakPolarHBondContact O-CB 3.38Å; R189-L192 VanDerWaalsContact O-CG 3.29Å; R189-L192 WeakPolarHBondContact O-CG 3.46Å; R189-L192 PolarHBondContact O-N 3.11Å; R189-L192 VanDerWaalsContact O-N 3.13Å
190	E	67.9	Low	75.2	Confident	160 Å²	160	88.8 Å²	88.8	75%	0.748	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-68.1	-13.2	-177	-44.6	-168	-167.1	0	0	112.6	N188	N188-E190 PolarHBondContact O-N 2.84Å; N188-E190 VanDerWaalsContact O-N 3.11Å
191	Y	66.7	Low	75	Confident	194 Å²	194	93 Å²	93	76%	0.761	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-108.8	11	179.2	-54.8	-76.8	0	0	0	112.7	N188 R189	N188-Y191 HydrophobicContact CB-CD2 4.07Å; N188-Y191 PolarHBondContact O-N 3.26Å; N188-Y191 VanDerWaalsContact O-N 3.16Å; R189-Y191 PolarHBondContact O-N 3.36Å; R189-Y191 VanDerWaalsContact O-N 3.14Å
192	L	67.7	Low	74.9	Confident	65 Å²	65	94 Å²	94	34%	0.34	48%	0.475	S	S	.	.			trans	-70.5	143.9	176.4	-65.8	174.7	0	0	0	110.5	W185 R189	W185-L192 VanDerWaalsContact NE1-CD2 3.32Å; R189-L192 HydrophobicContact CB-CD1 4.04Å; R189-L192 WeakPolarHBondContact O-CB 3.38Å; R189-L192 VanDerWaalsContact O-CG 3.29Å; R189-L192 WeakPolarHBondContact O-CG 3.46Å; R189-L192 PolarHBondContact O-N 3.11Å; R189-L192 VanDerWaalsContact O-N 3.13Å
193	S	65.1	Low	74.5	Confident	71 Å²	71	94.2 Å²	94.2	50%	0.497	48%	0.478	S	S	.	.			trans	-68.4	131.8	180	-177.9	0	0	0	0	110.4	N195	S193-N195 PolarHBondContact O-N 3.21Å; S193-N195 PolarHBondContact OG-N 3.5Å; S193-N195 PolarHBondContact OG-ND2 3.06Å; S193-N195 VanDerWaalsContact OG-ND2 3.14Å
194	P	61.3	Low	74.1	Confident	124 Å²	124	97.6 Å²	97.6	81%	0.805	50%	0.496	S	S	*	.			trans	-79.3	10.1	176.2	34.4	-36.1	0	0	0	112.9	Q196	P194-Q196 PolarHBondContact O-N 3.28Å
195	N	65.9	Low	73.7	Confident	95 Å²	95	94.8 Å²	94.8	51%	0.508	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-64.2	132	-175.7	-71.7	-14.8	0	0	0	111.6	S193 L197	S193-N195 PolarHBondContact O-N 3.21Å; S193-N195 PolarHBondContact OG-N 3.5Å; S193-N195 PolarHBondContact OG-ND2 3.06Å; S193-N195 VanDerWaalsContact OG-ND2 3.14Å; N195-L197 PolarHBondContact O-N 2.84Å
196	Q	68.7	Low	73.3	Confident	197 Å²	197	97.7 Å²	97.7	92%	0.921	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-65.1	129.5	169.8	-73.8	-177.4	-23.6	0	0	110.3	P194	P194-Q196 PolarHBondContact O-N 3.28Å
197	L	75.1	Confident	73.3	Confident	57 Å²	57	98.3 Å²	98.3	30%	0.298	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-91.2	137.1	179.3	-63.8	175.4	0	0	0	110.1	L119 N151 I155 N195	L119-L197 HydrophobicContact CD2-CD1 4.33Å; N151-L197 HydrophobicContact CB-CD2 4.02Å; I155-L197 HydrophobicContact CD1-CD2 4.45Å; I155-L197 HydrophobicContact CG1-CD2 4.26Å; N195-L197 PolarHBondContact O-N 2.84Å
198	S	75.1	Confident	73.5	Confident	86 Å²	86	94.6 Å²	94.6	60%	0.601	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-70.6	140.3	172.3	-175.7	0	0	0	0	110.4	N151	N151-S198 PolarHBondContact ND2-N 2.78Å; N151-S198 PolarHBondContact ND2-O 3.49Å; N151-S198 WeakPolarHBondContact OD1-CB 2.99Å; N151-S198 PolarHBondContact OD1-N 3.45Å
199	R	71.3	Confident	73.7	Confident	130 Å²	130	91.4 Å²	91.4	49%	0.491	46%	0.459	S	S	.	.			trans	-126.1	140.2	179.2	-62.9	-179.1	-178.3	177.4	0.9	109.7
200	Q	74.2	Confident	74.5	Confident	94 Å²	94	88.5 Å²	88.5	44%	0.439	46%	0.461	S	S	.	.			trans	-69.6	167.8	166.9	-70.7	-173.4	-10.2	0	0	110.5	G121 F122 V202 V205	G121-Q200 WeakPolarHBondContact O-CB 3.36Å; G121-Q200 PolarHBondContact O-N 3.45Å; G121-Q200 VanDerWaalsContact O-N 3.1Å; F122-Q200 HydrophobicContact CB-CG 4.22Å; Q200-V202 PolarHBondContact O-N 3.48Å; Q200-V205 HydrophobicContact CB-CG2 3.97Å
201	D	80.4	Confident	75.3	Confident	92 Å²	92	81.5 Å²	81.5	49%	0.492	43%	0.431	S	S	.	.			trans	-51.4	131.6	174.2	-177.5	-83.1	0	0	0	111.5	H203 L204 V205	D201-H203 VanDerWaalsContact C-N 3.25Å; D201-H203 PolarHBondContact O-N 2.91Å; D201-H203 WeakPolarHBondContact OD1-CA 3.26Å; D201-H203 VanDerWaalsContact OD1-CB 3.26Å; D201-H203 WeakPolarHBondContact OD1-CB 3.43Å; D201-H203 IonicContact OD1-CD2 2.69Å; D201-H203 IonicContact OD1-CG 3.94Å; D201-H203 PolarHBondContact OD1-N 3.26Å; D201-L204 HydrophobicContact CB-CB 4.35Å; D201-L204 HydrophobicContact CB-CD1 4.02Å; D201-L204 HydrophobicContact CB-CG 4.13Å; D201-L204 WeakPolarHBondContact O-CB 3.42Å; D201-L204 PolarHBondContact O-N 2.72Å; D201-L204 VanDerWaalsContact O-N 3.11Å; D201-L204 PolarHBondContact OD1-N 2.95Å; D201-V205 PolarHBondContact O-N 3.45Å
202	V	76.1	Confident	76.1	Confident	65 Å²	65	72.3 Å²	72.3	39%	0.394	40%	0.395	S	S	.	.	H	α-helix	trans	-60.4	-35.4	-173.8	174.3	0	0	0	0	111.7	M18 Q200 V205 K206	M18-V202 HydrophobicContact CG-CG1 4.18Å; M18-V202 HydrophobicContact SD-CG1 4.26Å; Q200-V202 PolarHBondContact O-N 3.48Å; V202-V205 PolarHBondContact O-N 3.43Å; V202-K206 HydrophobicContact CG1-CD 3.98Å; V202-K206 HydrophobicContact CG1-CG 4.32Å; V202-K206 WeakPolarHBondContact O-CB 3.36Å; V202-K206 VanDerWaalsContact O-CG 3.3Å; V202-K206 WeakPolarHBondContact O-CG 3.38Å; V202-K206 PolarHBondContact O-N 3.29Å
203	H	78.4	Confident	76.8	Confident	147 Å²	147	70.4 Å²	70.4	68%	0.681	38%	0.383	S	S	*	.	H	α-helix	trans	-69.5	-38	178.6	-64.4	-74.8	0	0	0	111.7	D201 K206 G207	D201-H203 VanDerWaalsContact C-N 3.25Å; D201-H203 PolarHBondContact O-N 2.91Å; D201-H203 WeakPolarHBondContact OD1-CA 3.26Å; D201-H203 VanDerWaalsContact OD1-CB 3.26Å; D201-H203 WeakPolarHBondContact OD1-CB 3.43Å; D201-H203 IonicContact OD1-CD2 2.69Å; D201-H203 IonicContact OD1-CG 3.94Å; D201-H203 PolarHBondContact OD1-N 3.26Å; H203-K206 PolarHBondContact O-N 2.9Å; H203-G207 PolarHBondContact O-N 3.42Å
204	L	80.1	Confident	77.7	Confident	83 Å²	83	72.9 Å²	72.9	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-64.1	-44.6	174.7	-69.2	177.6	0	0	0	111.5	D201 G207 A208	D201-L204 HydrophobicContact CB-CB 4.35Å; D201-L204 HydrophobicContact CB-CD1 4.02Å; D201-L204 HydrophobicContact CB-CG 4.13Å; D201-L204 WeakPolarHBondContact O-CB 3.42Å; D201-L204 PolarHBondContact O-N 2.72Å; D201-L204 VanDerWaalsContact O-N 3.11Å; D201-L204 PolarHBondContact OD1-N 2.95Å; L204-G207 PolarHBondContact O-N 2.92Å; L204-A208 WeakPolarHBondContact O-CB 3.49Å; L204-A208 PolarHBondContact O-N 3.21Å
205	V	80.2	Confident	78.8	Confident	14 Å²	14	67 Å²	67	9%	0.085	35%	0.347	C	S	.	.	H	α-helix	trans	-63.7	-45	177.9	178.3	0	0	0	0	111	T117 G121 T123 Q200 D201 V202 G207 A208 M209	T117-V205 HydrophobicContact CG2-CG1 3.54Å; G121-V205 WeakPolarHBondContact O-CG2 3.48Å; T123-V205 HydrophobicContact CG2-CG1 4.49Å; Q200-V205 HydrophobicContact CB-CG2 3.97Å; D201-V205 PolarHBondContact O-N 3.45Å; V202-V205 PolarHBondContact O-N 3.43Å; V205-G207 VanDerWaalsContact C-N 3.35Å; V205-G207 PolarHBondContact O-N 3.43Å; V205-A208 PolarHBondContact O-N 3.06Å; V205-M209 VanDerWaalsContact O-CB 3.3Å; V205-M209 WeakPolarHBondContact O-CB 3.36Å; V205-M209 PolarHBondContact O-N 2.93Å
206	K	77.1	Confident	79.3	Confident	81 Å²	81	65.7 Å²	65.7	35%	0.352	34%	0.34	S	S	.	.	H	α-helix	trans	-59.5	-45	175.6	-76.5	178.2	179	176.7	0	111.2	M18 E19 V202 H203 M209 A210	M18-K206 VanDerWaalsContact SD-CE 3.51Å; M18-K206 HydrophobicContact SD-CG 4.44Å; E19-K206 PolarHBondContact O-NZ 3.06Å; V202-K206 HydrophobicContact CG1-CD 3.98Å; V202-K206 HydrophobicContact CG1-CG 4.32Å; V202-K206 WeakPolarHBondContact O-CB 3.36Å; V202-K206 VanDerWaalsContact O-CG 3.3Å; V202-K206 WeakPolarHBondContact O-CG 3.38Å; V202-K206 PolarHBondContact O-N 3.29Å; H203-K206 PolarHBondContact O-N 2.9Å; K206-M209 PolarHBondContact O-N 3.46Å; K206-A210 WeakPolarHBondContact O-CB 3.37Å; K206-A210 PolarHBondContact O-N 3.36Å
207	G	80.6	Confident	79.6	Confident	20 Å²	20	61.4 Å²	61.4	21%	0.206	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-48.1	178.1	0	0	0	0	0	113.4	H203 L204 V205 M209 A210 A211	H203-G207 PolarHBondContact O-N 3.42Å; L204-G207 PolarHBondContact O-N 2.92Å; V205-G207 VanDerWaalsContact C-N 3.35Å; V205-G207 PolarHBondContact O-N 3.43Å; G207-M209 VanDerWaalsContact C-N 3.32Å; G207-M209 PolarHBondContact O-N 2.89Å; G207-A210 PolarHBondContact O-N 3.2Å; G207-A211 PolarHBondContact O-N 3.18Å
208	A	85.4	Confident	79.5	Confident	3 Å²	3	64.4 Å²	64.4	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-62.4	-38.5	177	0	0	0	0	0	112.4	T123 A126 L204 V205 A211 T212	T123-A208 HydrophobicContact CG2-CB 3.71Å; A126-A208 HydrophobicContact CB-CB 3.93Å; A126-A208 WeakPolarHBondContact CB-O 3.43Å; L204-A208 WeakPolarHBondContact O-CB 3.49Å; L204-A208 PolarHBondContact O-N 3.21Å; V205-A208 PolarHBondContact O-N 3.06Å; A208-A211 PolarHBondContact O-N 2.97Å; A208-T212 PolarHBondContact O-N 3.17Å; A208-T212 PolarHBondContact O-OG1 3.41Å
209	M	83.9	Confident	78.5	Confident	18 Å²	18	66 Å²	66	9%	0.089	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-47	175.2	-167.9	67.8	72.7	0	0	110.8	P49 I113 T117 T123 V205 K206 G207 A211 T212 Y213	P49-M209 HydrophobicContact CG-CE 3.91Å; P49-M209 HydrophobicContact CG-CG 3.87Å; P49-M209 HydrophobicContact CG-SD 3.82Å; I113-M209 HydrophobicContact CG2-CE 3.92Å; I113-M209 HydrophobicContact CG2-SD 3.59Å; I113-M209 VanDerWaalsContact CG2-SD 3.59Å; T117-M209 HydrophobicContact CG2-CE 3.95Å; T117-M209 WeakPolarHBondContact OG1-CE 3.4Å; T123-M209 HydrophobicContact CG2-CB 4.31Å; T123-M209 HydrophobicContact CG2-CE 4.03Å; V205-M209 VanDerWaalsContact O-CB 3.3Å; V205-M209 WeakPolarHBondContact O-CB 3.36Å; V205-M209 PolarHBondContact O-N 2.93Å; K206-M209 PolarHBondContact O-N 3.46Å; G207-M209 VanDerWaalsContact C-N 3.32Å; G207-M209 PolarHBondContact O-N 2.89Å; M209-A211 PolarHBondContact O-N 3.01Å; M209-T212 WeakPolarHBondContact O-CB 3.4Å; M209-T212 PolarHBondContact O-N 2.78Å; M209-T212 VanDerWaalsContact O-N 3.17Å; M209-Y213 HydrophobicContact CG-CD2 4.06Å; M209-Y213 HydrophobicContact CG-CE2 3.9Å; M209-Y213 VanDerWaalsContact O-CD2 3.32Å; M209-Y213 WeakPolarHBondContact O-CD2 3.19Å; M209-Y213 PolarHBondContact O-N 3.29Å; M209-Y213 VanDerWaalsContact O-N 3.09Å; M209-Y213 HydrophobicContact SD-CD2 4.23Å; M209-Y213 HydrophobicContact SD-CE2 3.64Å
210	A	82.3	Confident	77.7	Confident	62 Å²	62	65.6 Å²	65.6	51%	0.512	35%	0.351	S	S	.	.	H	α-helix	trans	-60.3	-43.7	176.9	0	0	0	0	0	112	K206 G207 T212 Y213 F214	K206-A210 WeakPolarHBondContact O-CB 3.37Å; K206-A210 PolarHBondContact O-N 3.36Å; G207-A210 PolarHBondContact O-N 3.2Å; A210-T212 VanDerWaalsContact C-N 3.29Å; A210-T212 PolarHBondContact O-N 2.98Å; A210-Y213 PolarHBondContact O-N 2.96Å; A210-F214 VanDerWaalsContact O-CB 3.29Å; A210-F214 WeakPolarHBondContact O-CB 3.3Å; A210-F214 PolarHBondContact O-N 3.33Å
211	A	84.9	Confident	76.4	Confident	14 Å²	14	69 Å²	69	12%	0.116	37%	0.367	C	S	.	.	H	α-helix	trans	-59.4	-39.8	175.3	0	0	0	0	0	111.9	I136 G207 A208 M209 F214 A215	I136-A211 HydrophobicContact CD1-CB 3.88Å; G207-A211 PolarHBondContact O-N 3.18Å; A208-A211 PolarHBondContact O-N 2.97Å; M209-A211 PolarHBondContact O-N 3.01Å; A211-F214 PolarHBondContact O-N 2.9Å; A211-A215 WeakPolarHBondContact O-CB 3.42Å; A211-A215 PolarHBondContact O-N 3.47Å
212	T	84.8	Confident	75.1	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.006	38%	0.376	C	S	.	.	H	α-helix	trans	-63	-49.9	177.5	-58.2	0	0	0	0	112.3	A126 I136 I140 A208 M209 A210 F214 A215 L216	A126-T212 WeakPolarHBondContact CB-OG1 3.34Å; I136-T212 HydrophobicContact CG2-CG2 4.32Å; I140-T212 HydrophobicContact CD1-CG2 4.34Å; A208-T212 PolarHBondContact O-N 3.17Å; A208-T212 PolarHBondContact O-OG1 3.41Å; M209-T212 WeakPolarHBondContact O-CB 3.4Å; M209-T212 PolarHBondContact O-N 2.78Å; M209-T212 VanDerWaalsContact O-N 3.17Å; A210-T212 VanDerWaalsContact C-N 3.29Å; A210-T212 PolarHBondContact O-N 2.98Å; T212-F214 VanDerWaalsContact C-N 3.34Å; T212-A215 PolarHBondContact O-N 3.02Å; T212-L216 HydrophobicContact CG2-CD1 4.34Å; T212-L216 WeakPolarHBondContact O-CG 3.16Å; T212-L216 PolarHBondContact O-N 3.07Å
213	Y	82.3	Confident	74.5	Confident	24 Å²	24	70.9 Å²	70.9	9%	0.094	39%	0.393	C	S	.	.	H	α-helix	trans	-68.3	-34.8	178.2	-78.4	-81.3	0	0	0	112.3	L47 K48 P49 S110 M209 A210 A215 L216 N217	L47-Y213 PolarHBondContact O-OH 3.16Å; K48-Y213 HydrophobicContact CB-CD1 3.97Å; K48-Y213 HydrophobicContact CB-CD2 4.25Å; K48-Y213 HydrophobicContact CB-CE1 3.61Å; K48-Y213 HydrophobicContact CB-CE2 3.93Å; K48-Y213 HydrophobicContact CB-CG 4.29Å; P49-Y213 VanDerWaalsContact CD-CE2 3.42Å; P49-Y213 WeakPolarHBondContact CD-OH 3.42Å; P49-Y213 HydrophobicContact CG-CE2 4.35Å; S110-Y213 WeakPolarHBondContact CB-OH 3.49Å; S110-Y213 PolarHBondContact OG-OH 3.49Å; M209-Y213 HydrophobicContact CG-CD2 4.06Å; M209-Y213 HydrophobicContact CG-CE2 3.9Å; M209-Y213 VanDerWaalsContact O-CD2 3.32Å; M209-Y213 WeakPolarHBondContact O-CD2 3.19Å; M209-Y213 PolarHBondContact O-N 3.29Å; M209-Y213 VanDerWaalsContact O-N 3.09Å; M209-Y213 HydrophobicContact SD-CD2 4.23Å; M209-Y213 HydrophobicContact SD-CE2 3.64Å; A210-Y213 PolarHBondContact O-N 2.96Å; Y213-A215 VanDerWaalsContact C-N 3.34Å; Y213-L216 PolarHBondContact O-N 3.18Å; Y213-N217 WeakPolarHBondContact O-CB 3.48Å; Y213-N217 PolarHBondContact O-N 3.2Å; Y213-N217 PolarHBondContact O-ND2 3.15Å
214	F	83.9	Confident	74.4	Confident	123 Å²	123	73.9 Å²	73.9	54%	0.539	40%	0.398	S	S	.	.	H	α-helix	trans	-61.1	-43.4	172.6	177.8	-99.5	0	0	0	111.7	P133 A210 A211 T212 N217 R218	P133-F214 HydrophobicContact CG-CD1 4Å; P133-F214 HydrophobicContact CG-CE1 3.87Å; A210-F214 VanDerWaalsContact O-CB 3.29Å; A210-F214 WeakPolarHBondContact O-CB 3.3Å; A210-F214 PolarHBondContact O-N 3.33Å; A211-F214 PolarHBondContact O-N 2.9Å; T212-F214 VanDerWaalsContact C-N 3.34Å; F214-N217 PolarHBondContact O-N 3.36Å; F214-R218 HydrophobicContact CE1-CG 4.4Å; F214-R218 PolarHBondContact O-N 2.98Å
215	A	83.2	Confident	74.4	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.008	42%	0.421	C	S	.	.	H	α-helix	trans	-64.1	-40.8	177.1	0	0	0	0	0	112.4	P133 I136 L137 A211 T212 Y213 R218	P133-A215 HydrophobicContact CB-CB 3.84Å; I136-A215 HydrophobicContact CB-CB 4.1Å; I136-A215 HydrophobicContact CD1-CB 4.36Å; I136-A215 HydrophobicContact CG2-CB 4Å; L137-A215 HydrophobicContact CG-CB 4.27Å; A211-A215 WeakPolarHBondContact O-CB 3.42Å; A211-A215 PolarHBondContact O-N 3.47Å; T212-A215 PolarHBondContact O-N 3.02Å; Y213-A215 VanDerWaalsContact C-N 3.34Å; A215-R218 PolarHBondContact O-N 3.49Å
216	L	77.6	Confident	74.7	Confident	68 Å²	68	84.1 Å²	84.1	36%	0.356	45%	0.447	S	S	.	.	H	α-helix	trans	-67.3	-36	177.6	-75.9	170.1	0	0	0	113.3	L137 I140 T212 Y213 R218	L137-L216 HydrophobicContact CD2-CD2 4.43Å; I140-L216 HydrophobicContact CD1-CD1 4.48Å; I140-L216 HydrophobicContact CD1-CD2 3.87Å; I140-L216 HydrophobicContact CD1-CG 4.07Å; T212-L216 HydrophobicContact CG2-CD1 4.34Å; T212-L216 WeakPolarHBondContact O-CG 3.16Å; T212-L216 PolarHBondContact O-N 3.07Å; Y213-L216 PolarHBondContact O-N 3.18Å; L216-R218 VanDerWaalsContact C-N 3.32Å
217	N	75.4	Confident	75.1	Confident	107 Å²	107	84.2 Å²	84.2	57%	0.572	46%	0.456	S	S	*	.	H	α-helix	trans	-85.5	-3	-179	-72.7	-26.5	0	0	0	113.6	Y213 F214 T219	Y213-N217 WeakPolarHBondContact O-CB 3.48Å; Y213-N217 PolarHBondContact O-N 3.2Å; Y213-N217 PolarHBondContact O-ND2 3.15Å; F214-N217 PolarHBondContact O-N 3.36Å; N217-T219 PolarHBondContact O-N 3.35Å
218	R	71.8	Confident	75.1	Confident	120 Å²	120	89 Å²	89	45%	0.453	48%	0.481	S	S	.	.			trans	-67	99.1	170.9	-94.6	-177.9	154.6	-162.7	-0.8	109.8	E134 F214 A215 L216	E134-R218 IonicContact OE1-CZ 3.97Å; E134-R218 IonicContact OE1-NH1 2.72Å; E134-R218 PolarHBondContact OE1-NH1 2.96Å; E134-R218 IonicContact OE2-NH1 3.79Å; F214-R218 HydrophobicContact CE1-CG 4.4Å; F214-R218 PolarHBondContact O-N 2.98Å; A215-R218 PolarHBondContact O-N 3.49Å; L216-R218 VanDerWaalsContact C-N 3.32Å
219	T	54.3	Low	74.9	Confident	119 Å²	119	95.3 Å²	95.3	73%	0.73	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-64.4	138	161	49.6	0	0	0	0	109.1	N217 Q221	N217-T219 PolarHBondContact O-N 3.35Å; T219-Q221 PolarHBondContact O-N 2.69Å
220	P	55.7	Low	74.8	Confident	122 Å²	122	97.4 Å²	97.4	79%	0.792	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-49.5	130	163.8	-19.7	29.1	0	0	0	107.7	A222	P220-A222 PolarHBondContact O-N 3.48Å
221	Q	45.2	Very low	75	Confident	165 Å²	165	97.3 Å²	97.3	77%	0.771	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-52.5	118.5	179.6	-130.8	175.2	19.6	0	0	107.6	T219	T219-Q221 PolarHBondContact O-N 2.69Å
222	A	53.2	Low	75.1	Confident	81 Å²	81	102 Å²	102	67%	0.669	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-52.6	135.5	173.9	0	0	0	0	0	107.2	P220 R224	P220-A222 PolarHBondContact O-N 3.48Å; A222-R224 PolarHBondContact O-N 3.16Å
223	P	64.6	Low	75	Confident	116 Å²	116	106.7 Å²	106.7	75%	0.753	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-51.1	131.1	-178.4	-16.3	20.8	0	0	0	108.8	L225	P223-L225 PolarHBondContact O-N 3.05Å
224	R	75.6	Confident	75	Confident	210 Å²	210	106.5 Å²	106.5	79%	0.792	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-58.4	120.2	173.9	-76.7	-174.5	175.1	-179.5	-1.2	107.4	A222 E226	A222-R224 PolarHBondContact O-N 3.16Å; R224-E226 PolarHBondContact O-N 2.72Å; R224-E226 VanDerWaalsContact O-N 3.16Å
225	L	80.1	Confident	75	Confident	174 Å²	174	105.4 Å²	105.4	91%	0.911	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-63.5	119.3	174.9	-64.9	176.6	0	0	0	107.7	P223	P223-L225 PolarHBondContact O-N 3.05Å
226	E	85.8	Confident	74.8	Confident	138 Å²	138	113.9 Å²	113.9	65%	0.645	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-65.9	157.1	171.4	-70.7	-65.5	154.5	0	0	110.2	R224 V228	R224-E226 PolarHBondContact O-N 2.72Å; R224-E226 VanDerWaalsContact O-N 3.16Å; E226-V228 PolarHBondContact O-N 3.18Å
227	P	85.6	Confident	74.8	Confident	82 Å²	82	119.2 Å²	119.2	53%	0.532	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-48.9	144.9	173	-26.9	34.7	0	0	0	111.3	L229 S230	P227-L229 PolarHBondContact O-N 3.34Å; P227-S230 VanDerWaalsContact O-CB 3.24Å; P227-S230 WeakPolarHBondContact O-CB 3.42Å; P227-S230 PolarHBondContact O-N 3.06Å; P227-S230 PolarHBondContact O-OG 2.71Å
228	V	81.7	Confident	74.3	Confident	122 Å²	122	116 Å²	116	74%	0.739	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-51.9	-31.1	-179.6	176.6	0	0	0	0	111.9	E226 S230 S231 A234	E226-V228 PolarHBondContact O-N 3.18Å; V228-S230 PolarHBondContact O-N 3.2Å; V228-S231 VanDerWaalsContact O-CB 3.25Å; V228-S231 WeakPolarHBondContact O-CB 3.26Å; V228-S231 PolarHBondContact O-N 3.26Å; V228-A234 HydrophobicContact CG1-CB 4.12Å; V228-A234 WeakPolarHBondContact O-CB 3.01Å
229	L	81.5	Confident	73.7	Confident	134 Å²	134	116.9 Å²	116.9	70%	0.702	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-63.5	-21.3	176.5	-62.4	176.1	0	0	0	114.4	P227 S231 Q235	P227-L229 PolarHBondContact O-N 3.34Å; L229-S231 PolarHBondContact O-N 2.92Å; L229-Q235 VanDerWaalsContact O-CG 3.24Å; L229-Q235 WeakPolarHBondContact O-CG 3.24Å; L229-Q235 PolarHBondContact O-NE2 3.42Å
230	S	81.1	Confident	73.8	Confident	63 Å²	63	119.2 Å²	119.2	44%	0.441	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-74.4	-11.6	173.9	-53.8	0	0	0	0	112.3	P227 V228	P227-S230 VanDerWaalsContact O-CB 3.24Å; P227-S230 WeakPolarHBondContact O-CB 3.42Å; P227-S230 PolarHBondContact O-N 3.06Å; P227-S230 PolarHBondContact O-OG 2.71Å; V228-S230 PolarHBondContact O-N 3.2Å
231	S	87.3	Confident	73.7	Confident	59 Å²	59	124 Å²	124	41%	0.413	63%	0.626	S	S	.	*	S	Bend	trans	-76.3	130.6	172.8	179.7	0	0	0	0	111.6	V228 L229 L233 A234 Q235	V228-S231 VanDerWaalsContact O-CB 3.25Å; V228-S231 WeakPolarHBondContact O-CB 3.26Å; V228-S231 PolarHBondContact O-N 3.26Å; L229-S231 PolarHBondContact O-N 2.92Å; S231-L233 PolarHBondContact O-N 3.15Å; S231-L233 PolarHBondContact OG-N 3.32Å; S231-A234 WeakPolarHBondContact O-CB 3.25Å; S231-A234 PolarHBondContact O-N 3.04Å; S231-Q235 PolarHBondContact O-N 2.93Å
232	N	85.4	Confident	74	Confident	114 Å²	114	123.6 Å²	123.6	61%	0.61	63%	0.629	S	S	*	*	H	α-helix	trans	-50.3	-33.9	171.6	-75.4	-57	0	0	0	112.9	R236	N232-R236 VanDerWaalsContact O-CG 3.26Å; N232-R236 WeakPolarHBondContact O-CG 3.48Å; N232-R236 PolarHBondContact O-N 3.5Å
233	L	83.5	Confident	74	Confident	98 Å²	98	125.5 Å²	125.5	51%	0.513	63%	0.632	S	S	.	*	H	α-helix	trans	-69.3	-41.1	177.6	-178.3	63.6	0	0	0	111.9	S231 R237	S231-L233 PolarHBondContact O-N 3.15Å; S231-L233 PolarHBondContact OG-N 3.32Å; L233-R237 WeakPolarHBondContact O-CG 3.24Å; L233-R237 PolarHBondContact O-N 3.47Å
234	A	82.4	Confident	73.4	Confident	20 Å²	20	124.7 Å²	124.7	17%	0.165	63%	0.629	C	S	.	*	H	α-helix	trans	-68.7	-40	178.6	0	0	0	0	0	111.6	V228 S231 R236 R237 G238	V228-A234 HydrophobicContact CG1-CB 4.12Å; V228-A234 WeakPolarHBondContact O-CB 3.01Å; S231-A234 WeakPolarHBondContact O-CB 3.25Å; S231-A234 PolarHBondContact O-N 3.04Å; A234-R236 PolarHBondContact O-N 3.06Å; A234-R237 PolarHBondContact O-N 3.29Å; A234-R237 VanDerWaalsContact O-N 3.15Å; A234-G238 PolarHBondContact O-N 3.31Å
235	Q	83.2	Confident	72.4	Confident	101 Å²	101	121 Å²	121	47%	0.472	63%	0.63	S	S	.	*	H	α-helix	trans	-59.4	-45.9	175	-66.4	176.7	-5.1	0	0	111.8	L229 S231 R237 G238 M239	L229-Q235 VanDerWaalsContact O-CG 3.24Å; L229-Q235 WeakPolarHBondContact O-CG 3.24Å; L229-Q235 PolarHBondContact O-NE2 3.42Å; S231-Q235 PolarHBondContact O-N 2.93Å; Q235-R237 VanDerWaalsContact C-N 3.27Å; Q235-R237 PolarHBondContact O-N 2.79Å; Q235-G238 PolarHBondContact O-N 3.43Å; Q235-M239 PolarHBondContact O-N 3.37Å; Q235-M239 VanDerWaalsContact O-N 3.12Å
236	R	79.3	Confident	70.8	Confident	179 Å²	179	124.5 Å²	124.5	68%	0.675	63%	0.631	S	S	*	*	H	α-helix	trans	-62	-32.9	176.1	-71.7	173.6	-174.6	-172.7	2.4	112.9	N232 A234	N232-R236 VanDerWaalsContact O-CG 3.26Å; N232-R236 WeakPolarHBondContact O-CG 3.48Å; N232-R236 PolarHBondContact O-N 3.5Å; A234-R236 PolarHBondContact O-N 3.06Å
237	R	77	Confident	68.6	Low	179 Å²	179	130 Å²	130	68%	0.675	66%	0.664	S	S	*	*	H	α-helix	trans	-77.5	-34.6	177.4	-73.4	178.8	174.9	-172.9	-1	112.7	L233 A234 Q235 K240	L233-R237 WeakPolarHBondContact O-CG 3.24Å; L233-R237 PolarHBondContact O-N 3.47Å; A234-R237 PolarHBondContact O-N 3.29Å; A234-R237 VanDerWaalsContact O-N 3.15Å; Q235-R237 VanDerWaalsContact C-N 3.27Å; Q235-R237 PolarHBondContact O-N 2.79Å; R237-K240 PolarHBondContact O-N 2.94Å
238	G	65.6	Low	67.8	Low	41 Å²	41	132.5 Å²	132.5	42%	0.423	67%	0.67	S	S	.	*	H	α-helix	trans	-65.4	-38.8	173.7	0	0	0	0	0	113.1	A234 Q235 K240 R241	A234-G238 PolarHBondContact O-N 3.31Å; Q235-G238 PolarHBondContact O-N 3.43Å; G238-K240 VanDerWaalsContact C-N 3.31Å; G238-K240 PolarHBondContact O-N 3.27Å; G238-R241 PolarHBondContact O-N 3.37Å
239	M	58.7	Low	67	Low	138 Å²	138	133 Å²	133	68%	0.68	67%	0.667	S	S	*	*	H	α-helix	trans	-64	-31.5	177.9	-75.9	176.5	144.7	0	0	113.7	Q235 R241 L242	Q235-M239 PolarHBondContact O-N 3.37Å; Q235-M239 VanDerWaalsContact O-N 3.12Å; M239-R241 VanDerWaalsContact C-N 3.28Å; M239-R241 PolarHBondContact O-N 3.12Å; M239-L242 PolarHBondContact O-N 3.43Å
240	K	56.3	Low	66.2	Low	167 Å²	167	132.9 Å²	132.9	73%	0.726	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-16.8	178.9	-74.7	-170.5	176.6	-170.7	0	114.1	R237 G238	R237-K240 PolarHBondContact O-N 2.94Å; G238-K240 VanDerWaalsContact C-N 3.31Å; G238-K240 PolarHBondContact O-N 3.27Å
241	R	54.7	Low	65.4	Low	223 Å²	223	137.1 Å²	137.1	84%	0.842	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-21.1	176.4	-89.3	-173.7	168.1	-175.6	-3.3	113.6	G238 M239	G238-R241 PolarHBondContact O-N 3.37Å; M239-R241 VanDerWaalsContact C-N 3.28Å; M239-R241 PolarHBondContact O-N 3.12Å
242	L	52.3	Low	64	Low	157 Å²	157	141.9 Å²	141.9	82%	0.822	70%	0.695	S	S	*	*	S	Bend	trans	-88.1	-10.7	-176.7	-79.8	155	0	0	0	114	M239	M239-L242 PolarHBondContact O-N 3.43Å
243	T	51.3	Low	62.6	Low	120 Å²	120	143.8 Å²	143.8	74%	0.736	70%	0.7	S	S	*	*	S	Bend	trans	-103.8	5.7	-175.6	49.7	0	0	0	0	115
244	S	53.6	Low	61.1	Low	99 Å²	99	147.1 Å²	147.1	69%	0.692	71%	0.714	S	S	*	*	S	Bend	trans	-121.7	47.9	-177.8	-170.3	0	0	0	0	113.6
245	T	53.1	Low	59.4	Low	133 Å²	133	156.8 Å²	156.8	82%	0.816	76%	0.756	S	S	*	*			trans	-155.9	75.1	158.5	2.4	0	0	0	0	110.2
246	R	47.7	Very low	57.4	Low	248 Å²	248	161.5 Å²	161.5	94%	0.936	78%	0.779	S	S	*	*			trans	-154	88.8	155.4	-88.6	-163.3	179.6	173.2	-0.7	108.2
247	L	39.7	Very low	55.4	Low	254 Å²	254	159.9 Å²	159.9	100%	1.33	79%	0.789	S	S	*	*			trans	-139.1	0	146.7	-84.4	171.7	0	0	0	106.3

Retrieved 247 of 247 residues in 59.7 ms (Link to these results)

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