A0A096N2H0_PAPAN Loading...

Nucleoporin NDC1

Component of the nuclear pore complex (NPC), which plays a key role in de novo assembly and insertion of NPC in the nuclear envelope. Required for NPC and nuclear envelope assembly, possibly by forming a link between the nuclear envelope membrane and soluble nucleoporins, thereby anchoring the NPC in the membrane.

AlphaFold DB (A0A2K5P4C4), UniProt , Accession A0A096N2H0, Species PAPAN (Papio anubis, Olive baboon), Gene NDC1, Length 674 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	37.9	Very low	247 Å²	247	103.5 Å²	103.5	100%	1.217	69%	0.693	S	S	*	*				0	107.5	0	-164	172.9	-168	0	0	107
2	A	27	Very low	40	Very low	101 Å²	101	106.3 Å²	106.3	84%	0.835	68%	0.678	S	S	*	*			trans	-139.2	102.1	-178	0	0	0	0	0	108.5	A4	A2-A4 PolarHBondContact O-N 3.33Å; A2-A4 VanDerWaalsContact O-N 3.16Å
3	T	31.8	Very low	42	Very low	140 Å²	140	101 Å²	101	86%	0.859	65%	0.646	S	S	*	*			trans	-75.1	98.1	178.5	30.3	0	0	0	0	109.4	V5	T3-V5 PolarHBondContact O-N 2.87Å
4	A	31.1	Very low	44.1	Very low	90 Å²	90	105.2 Å²	105.2	74%	0.744	64%	0.643	S	S	*	*			trans	-66.5	122.6	171.7	0	0	0	0	0	109.7	A2 S6	A2-A4 PolarHBondContact O-N 3.33Å; A2-A4 VanDerWaalsContact O-N 3.16Å; A4-S6 VanDerWaalsContact C-N 3.33Å; A4-S6 PolarHBondContact O-N 2.92Å
5	V	33.4	Very low	46.5	Very low	149 Å²	149	104.3 Å²	104.3	90%	0.903	63%	0.633	S	S	*	*			trans	-66.8	92.2	172.3	177.5	0	0	0	0	108.5	T3 G7	T3-V5 PolarHBondContact O-N 2.87Å; V5-G7 PolarHBondContact O-N 2.67Å
6	S	33.8	Very low	48.7	Very low	76 Å²	76	98.8 Å²	98.8	53%	0.531	60%	0.599	S	S	.	*			trans	-80.5	109.2	173.8	55.5	0	0	0	0	109.8	A4	A4-S6 VanDerWaalsContact C-N 3.33Å; A4-S6 PolarHBondContact O-N 2.92Å
7	G	31.2	Very low	50.9	Low	39 Å²	39	95.2 Å²	95.2	40%	0.402	58%	0.575	S	S	.	*			trans	-58.8	159.3	171.1	0	0	0	0	0	112.1	V5 C9 A10	V5-G7 PolarHBondContact O-N 2.67Å; G7-C9 PolarHBondContact O-N 2.82Å; G7-A10 WeakPolarHBondContact O-CB 3.44Å; G7-A10 PolarHBondContact O-N 2.99Å
8	P	41.6	Very low	52.9	Low	126 Å²	126	98.5 Å²	98.5	82%	0.818	58%	0.576	S	S	*	*	H	α-helix	trans	-57.8	-26.4	-168.4	18.4	-31.6	0	0	0	115	R12	P8-R12 PolarHBondContact O-N 3.44Å
9	C	45.5	Very low	54.6	Low	101 Å²	101	102.7 Å²	102.7	68%	0.682	58%	0.581	S	S	*	*	H	α-helix	trans	-69.7	-29.8	174.2	-65.8	0	0	0	0	113.6	G7 S13	G7-C9 PolarHBondContact O-N 2.82Å; C9-S13 WeakPolarHBondContact O-CB 3.48Å; C9-S13 PolarHBondContact O-N 3.44Å
10	A	48.9	Very low	56.2	Low	44 Å²	44	98.4 Å²	98.4	36%	0.364	56%	0.557	S	S	.	*	H	α-helix	trans	-77.3	-24.8	179.6	0	0	0	0	0	112.8	G7 R14	G7-A10 WeakPolarHBondContact O-CB 3.44Å; G7-A10 PolarHBondContact O-N 2.99Å; A10-R14 WeakPolarHBondContact O-CD 3.27Å; A10-R14 VanDerWaalsContact O-CG 3.27Å; A10-R14 WeakPolarHBondContact O-CG 3.47Å
11	G	60	Low	57.8	Low	26 Å²	26	93.8 Å²	93.8	27%	0.268	53%	0.531	S	S	.	.	H	α-helix	trans	-65	-64.8	167.2	0	0	0	0	0	110.6	S13 R14 D15	G11-S13 PolarHBondContact O-N 3.34Å; G11-R14 WeakPolarHBondContact O-CA 3.45Å; G11-R14 WeakPolarHBondContact O-CB 3.47Å; G11-R14 PolarHBondContact O-N 3.1Å; G11-D15 VanDerWaalsContact C-OD2 3.28Å; G11-D15 VanDerWaalsContact O-CG 3.28Å; G11-D15 PolarHBondContact O-N 3.44Å
12	R	63.6	Low	60.6	Low	136 Å²	136	82.4 Å²	82.4	51%	0.513	48%	0.476	S	S	.	.	H	α-helix	trans	-48.6	-40.6	-179.2	-177.8	-175.3	-100	150.3	-7.8	113.8	P8 D15 I16 D312	P8-R12 PolarHBondContact O-N 3.44Å; R12-D15 WeakPolarHBondContact CA-OD2 3.5Å; R12-D15 PolarHBondContact N-OD2 3.12Å; R12-D15 PolarHBondContact O-N 3.48Å; R12-I16 HydrophobicContact CG-CD1 4.44Å; R12-I16 PolarHBondContact O-N 3.15Å; R12-D312 IonicContact CZ-OD1 2.64Å; R12-D312 IonicContact CZ-OD2 2.69Å; R12-D312 IonicContact NE-OD1 2.76Å; R12-D312 IonicContact NE-OD2 3.66Å; R12-D312 PolarHBondContact NE-OD2 3.23Å; R12-D312 IonicContact NH2-OD1 2.68Å; R12-D312 PolarHBondContact NH2-OD1 3.41Å; R12-D312 IonicContact NH2-OD2 2.76Å; R12-D312 PolarHBondContact NH2-OD2 3.42Å
13	S	65.8	Low	63.7	Low	38 Å²	38	87.1 Å²	87.1	27%	0.266	47%	0.473	S	S	.	.	H	α-helix	trans	-66.4	-34.8	177.9	-176.8	0	0	0	0	113.6	C9 G11 L17 P324	C9-S13 WeakPolarHBondContact O-CB 3.48Å; C9-S13 PolarHBondContact O-N 3.44Å; G11-S13 PolarHBondContact O-N 3.34Å; S13-L17 PolarHBondContact O-N 3.03Å; S13-P324 WeakPolarHBondContact OG-CD 3.21Å; S13-P324 WeakPolarHBondContact OG-CG 3.39Å
14	R	71.4	Confident	66.7	Low	160 Å²	160	81.5 Å²	81.5	60%	0.604	44%	0.436	S	S	*	.	H	α-helix	trans	-77.2	-32.7	174.8	-66.2	173.9	84.5	177.1	6	111.5	A10 G11 L17 W18	A10-R14 WeakPolarHBondContact O-CD 3.27Å; A10-R14 VanDerWaalsContact O-CG 3.27Å; A10-R14 WeakPolarHBondContact O-CG 3.47Å; G11-R14 WeakPolarHBondContact O-CA 3.45Å; G11-R14 WeakPolarHBondContact O-CB 3.47Å; G11-R14 PolarHBondContact O-N 3.1Å; R14-L17 WeakPolarHBondContact O-CB 3.34Å; R14-L17 PolarHBondContact O-N 3.16Å; R14-W18 PolarHBondContact O-N 3.49Å
15	D	80.1	Confident	69.7	Low	92 Å²	92	78.1 Å²	78.1	49%	0.492	41%	0.405	S	S	.	.	H	α-helix	trans	-64.5	-48.3	178.5	-57.6	-33.6	0	0	0	111.4	G11 R12 L17 W18 R19	G11-D15 VanDerWaalsContact C-OD2 3.28Å; G11-D15 VanDerWaalsContact O-CG 3.28Å; G11-D15 PolarHBondContact O-N 3.44Å; R12-D15 WeakPolarHBondContact CA-OD2 3.5Å; R12-D15 PolarHBondContact N-OD2 3.12Å; R12-D15 PolarHBondContact O-N 3.48Å; D15-L17 VanDerWaalsContact C-N 3.31Å; D15-L17 PolarHBondContact O-N 3Å; D15-W18 PolarHBondContact O-N 3.36Å; D15-R19 WeakPolarHBondContact O-CB 3.43Å; D15-R19 VanDerWaalsContact O-CG 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.46Å; D15-R19 PolarHBondContact O-N 3.18Å
16	I	81.8	Confident	72.7	Confident	16 Å²	16	74.3 Å²	74.3	8%	0.082	38%	0.382	C	S	.	.	H	α-helix	trans	-61.6	-41.2	175.7	-63.6	170.2	0	0	0	110.7	R12 R19 V20 I327	R12-I16 HydrophobicContact CG-CD1 4.44Å; R12-I16 PolarHBondContact O-N 3.15Å; I16-R19 PolarHBondContact O-N 3.07Å; I16-V20 HydrophobicContact CG2-CG2 4.44Å; I16-V20 WeakPolarHBondContact O-CG2 3.38Å; I16-V20 PolarHBondContact O-N 3.21Å; I16-I327 HydrophobicContact CG2-CG2 4.23Å
17	L	85.9	Confident	75.6	Confident	37 Å²	37	71.2 Å²	71.2	19%	0.194	36%	0.361	C	S	.	.	H	α-helix	trans	-59.9	-47.9	176.6	-176	66.3	0	0	0	111.7	S13 R14 D15 L21 P324 I326 I327	S13-L17 PolarHBondContact O-N 3.03Å; R14-L17 WeakPolarHBondContact O-CB 3.34Å; R14-L17 PolarHBondContact O-N 3.16Å; D15-L17 VanDerWaalsContact C-N 3.31Å; D15-L17 PolarHBondContact O-N 3Å; L17-L21 HydrophobicContact CD1-CD1 4.29Å; L17-L21 HydrophobicContact CD1-CD2 4.15Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 PolarHBondContact O-N 3.21Å; L17-P324 HydrophobicContact CB-CG 4.32Å; L17-P324 HydrophobicContact CD1-CB 4.31Å; L17-P324 HydrophobicContact CD1-CG 4.48Å; L17-P324 HydrophobicContact CD2-CG 4.45Å; L17-I326 HydrophobicContact CD1-CG2 3.6Å; L17-I327 HydrophobicContact CD1-CD1 4.19Å; L17-I327 HydrophobicContact CD1-CG1 3.99Å
18	W	86.4	Confident	78.7	Confident	155 Å²	155	69.5 Å²	69.5	59%	0.587	34%	0.342	S	S	*	.	H	α-helix	trans	-69.4	-34.4	179	-85.7	110.8	0	0	0	113.2	R14 D15 G22	R14-W18 PolarHBondContact O-N 3.49Å; D15-W18 PolarHBondContact O-N 3.36Å; W18-G22 WeakPolarHBondContact O-CA 3.47Å; W18-G22 PolarHBondContact O-N 2.78Å
19	R	85.8	Confident	81.3	Confident	179 Å²	179	65 Å²	65	68%	0.675	31%	0.312	S	S	*	.	H	α-helix	trans	-63	-46.7	174	-74.4	176.5	180	-150	-3	112.2	D15 I16 E313	D15-R19 WeakPolarHBondContact O-CB 3.43Å; D15-R19 VanDerWaalsContact O-CG 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.46Å; D15-R19 PolarHBondContact O-N 3.18Å; I16-R19 PolarHBondContact O-N 3.07Å; R19-E313 WeakPolarHBondContact CD-OE1 3.42Å; R19-E313 IonicContact CZ-OE1 3.66Å; R19-E313 IonicContact NE-OE1 3.9Å; R19-E313 IonicContact NH1-OE1 2.69Å; R19-E313 PolarHBondContact NH1-OE1 3.1Å
20	V	86.3	Confident	83.8	Confident	16 Å²	16	63.6 Å²	63.6	10%	0.097	30%	0.3	C	S	.	.	H	α-helix	trans	-80.6	-44.8	-176.8	-176.2	0	0	0	0	112.2	I16 R24 H299 I327 L330	I16-V20 HydrophobicContact CG2-CG2 4.44Å; I16-V20 WeakPolarHBondContact O-CG2 3.38Å; I16-V20 PolarHBondContact O-N 3.21Å; V20-R24 VanDerWaalsContact O-CD 3.26Å; V20-R24 WeakPolarHBondContact O-CD 3.41Å; V20-H299 HydrophobicContact CG1-CB 4.28Å; V20-I327 HydrophobicContact CB-CD1 3.88Å; V20-I327 HydrophobicContact CG1-CD1 4.15Å; V20-I327 HydrophobicContact CG2-CD1 4.22Å; V20-L330 HydrophobicContact CG1-CD1 4.24Å
21	L	90.6	Very high	86.1	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-96.4	-22.7	-175.1	-89	73.6	0	0	0	114.5	L17 W23 R24 I25 I326 I327 L330	L17-L21 HydrophobicContact CD1-CD1 4.29Å; L17-L21 HydrophobicContact CD1-CD2 4.15Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 PolarHBondContact O-N 3.21Å; L21-W23 PolarHBondContact O-N 3.26Å; L21-R24 CarbonylContact O-C 3.53Å; L21-R24 WeakPolarHBondContact O-CA 3.14Å; L21-R24 WeakPolarHBondContact O-CB 3.31Å; L21-R24 PolarHBondContact O-N 2.88Å; L21-I25 HydrophobicContact CB-CD1 3.96Å; L21-I25 HydrophobicContact CB-CG1 4.49Å; L21-I25 VanDerWaalsContact O-CG1 3.32Å; L21-I25 WeakPolarHBondContact O-CG1 3.3Å; L21-I25 PolarHBondContact O-N 3.34Å; L21-I326 HydrophobicContact CD1-CG2 4.35Å; L21-I326 HydrophobicContact CD2-CD1 3.81Å; L21-I326 HydrophobicContact CD2-CG1 4.14Å; L21-I326 HydrophobicContact CD2-CG2 3.95Å; L21-I327 HydrophobicContact CD1-CD1 3.72Å; L21-L330 HydrophobicContact CD1-CD1 4.01Å
22	G	90.4	Very high	87.8	Confident	7 Å²	7	66.5 Å²	66.5	7%	0.072	29%	0.294	C	S	.	.	H	α-helix	trans	-57.2	-53	-171.1	0	0	0	0	0	113.3	W18 R24 I25 V26	W18-G22 WeakPolarHBondContact O-CA 3.47Å; W18-G22 PolarHBondContact O-N 2.78Å; G22-R24 VanDerWaalsContact C-N 3.29Å; G22-R24 PolarHBondContact O-N 2.71Å; G22-I25 PolarHBondContact O-N 2.84Å; G22-V26 WeakPolarHBondContact O-CG2 3.44Å; G22-V26 PolarHBondContact O-N 2.9Å
23	W	92.9	Very high	89.4	Confident	201 Å²	201	61.8 Å²	61.8	76%	0.761	28%	0.28	S	S	*	.	H	α-helix	trans	-62.4	-35	175.3	180	-110.9	0	0	0	112.8	L21 V26 A27	L21-W23 PolarHBondContact O-N 3.26Å; W23-V26 PolarHBondContact O-N 3.35Å; W23-A27 VanDerWaalsContact O-CB 3.23Å; W23-A27 WeakPolarHBondContact O-CB 3.41Å; W23-A27 PolarHBondContact O-N 2.89Å
24	R	94.4	Very high	90.9	Very high	22 Å²	22	65 Å²	65	8%	0.083	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-40.8	178	-63.2	174.8	168.9	-158.9	-10.4	111.6	V20 L21 G22 S28 Y294 E297 A298	V20-R24 VanDerWaalsContact O-CD 3.26Å; V20-R24 WeakPolarHBondContact O-CD 3.41Å; L21-R24 CarbonylContact O-C 3.53Å; L21-R24 WeakPolarHBondContact O-CA 3.14Å; L21-R24 WeakPolarHBondContact O-CB 3.31Å; L21-R24 PolarHBondContact O-N 2.88Å; G22-R24 VanDerWaalsContact C-N 3.29Å; G22-R24 PolarHBondContact O-N 2.71Å; R24-S28 WeakPolarHBondContact O-CB 3.34Å; R24-S28 PolarHBondContact O-N 2.74Å; R24-Y294 WeakPolarHBondContact CD-O 3.46Å; R24-Y294 WeakPolarHBondContact O-CB 3.47Å; R24-E297 IonicContact CZ-OE2 3.75Å; R24-E297 IonicContact NE-OE2 3.01Å; R24-E297 PolarHBondContact NH1-O 2.82Å; R24-E297 PolarHBondContact NH2-O 2.96Å; R24-E297 IonicContact NH2-OE2 3.17Å; R24-A298 PolarHBondContact NH2-O 2.83Å
25	I	94.1	Very high	92	Very high	19 Å²	19	59.1 Å²	59.1	10%	0.097	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-52.4	174.3	-69.8	160.6	0	0	0	110	L21 G22 A27 S28 I29 V89 F291	L21-I25 HydrophobicContact CB-CD1 3.96Å; L21-I25 HydrophobicContact CB-CG1 4.49Å; L21-I25 VanDerWaalsContact O-CG1 3.32Å; L21-I25 WeakPolarHBondContact O-CG1 3.3Å; L21-I25 PolarHBondContact O-N 3.34Å; G22-I25 PolarHBondContact O-N 2.84Å; I25-A27 PolarHBondContact O-N 3.43Å; I25-S28 WeakPolarHBondContact O-CB 3.38Å; I25-S28 PolarHBondContact O-N 3.5Å; I25-S28 VanDerWaalsContact O-N 3.15Å; I25-I29 HydrophobicContact CG2-CD1 3.8Å; I25-I29 WeakPolarHBondContact O-CG1 3.48Å; I25-I29 PolarHBondContact O-N 3.34Å; I25-V89 HydrophobicContact CB-CG2 4.5Å; I25-V89 HydrophobicContact CD1-CG1 3.77Å; I25-V89 HydrophobicContact CD1-CG2 4.48Å; I25-V89 HydrophobicContact CG1-CG1 4.32Å; I25-V89 HydrophobicContact CG1-CG2 4.13Å; I25-V89 HydrophobicContact CG2-CG1 4.36Å; I25-V89 HydrophobicContact CG2-CG2 3.63Å; I25-F291 HydrophobicContact CG1-CE2 4.18Å
26	V	95.7	Very high	92.7	Very high	68 Å²	68	54.8 Å²	54.8	41%	0.412	25%	0.251	S	S	.	.	H	α-helix	trans	-58	-47.6	178.9	172.2	0	0	0	0	111	G22 W23 S28 I29 V30	G22-V26 WeakPolarHBondContact O-CG2 3.44Å; G22-V26 PolarHBondContact O-N 2.9Å; W23-V26 PolarHBondContact O-N 3.35Å; V26-S28 VanDerWaalsContact C-N 3.33Å; V26-S28 PolarHBondContact O-N 2.89Å; V26-I29 PolarHBondContact O-N 3.47Å; V26-V30 HydrophobicContact CG1-CG2 4.3Å; V26-V30 WeakPolarHBondContact O-CG2 3.35Å; V26-V30 PolarHBondContact O-N 3.44Å
27	A	95.4	Very high	93.3	Very high	12 Å²	12	56.9 Å²	56.9	10%	0.099	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-43.4	176.7	0	0	0	0	0	112	W23 I25 I29 V30 W31 Y294	W23-A27 VanDerWaalsContact O-CB 3.23Å; W23-A27 WeakPolarHBondContact O-CB 3.41Å; W23-A27 PolarHBondContact O-N 2.89Å; I25-A27 PolarHBondContact O-N 3.43Å; A27-I29 PolarHBondContact O-N 2.98Å; A27-V30 PolarHBondContact O-N 2.9Å; A27-W31 PolarHBondContact O-N 3.23Å; A27-Y294 HydrophobicContact CB-CD1 3.98Å; A27-Y294 HydrophobicContact CB-CE1 3.63Å
28	S	96.1	Very high	93.8	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-43.1	175.6	-176.5	0	0	0	0	112.9	R24 I25 V26 S32 L290 F291	R24-S28 WeakPolarHBondContact O-CB 3.34Å; R24-S28 PolarHBondContact O-N 2.74Å; I25-S28 WeakPolarHBondContact O-CB 3.38Å; I25-S28 PolarHBondContact O-N 3.5Å; I25-S28 VanDerWaalsContact O-N 3.15Å; V26-S28 VanDerWaalsContact C-N 3.33Å; V26-S28 PolarHBondContact O-N 2.89Å; S28-S32 WeakPolarHBondContact O-CB 3.36Å; S28-S32 PolarHBondContact O-N 3.21Å; S28-S32 PolarHBondContact O-OG 2.83Å; S28-L290 WeakPolarHBondContact OG-CB 3.31Å; S28-F291 WeakPolarHBondContact OG-CA 3.45Å; S28-F291 PolarHBondContact OG-N 2.92Å
29	I	96.9	Very high	94.2	Very high	33 Å²	33	53.8 Å²	53.8	17%	0.169	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-48.4	178.3	-64.9	166.2	0	0	0	109.8	I25 V26 A27 W31 S32 V33 I82	I25-I29 HydrophobicContact CG2-CD1 3.8Å; I25-I29 WeakPolarHBondContact O-CG1 3.48Å; I25-I29 PolarHBondContact O-N 3.34Å; V26-I29 PolarHBondContact O-N 3.47Å; A27-I29 PolarHBondContact O-N 2.98Å; I29-W31 PolarHBondContact O-N 2.89Å; I29-S32 WeakPolarHBondContact O-CB 3.35Å; I29-S32 PolarHBondContact O-N 3.03Å; I29-S32 VanDerWaalsContact O-N 3.08Å; I29-V33 PolarHBondContact O-N 3.4Å; I29-I82 HydrophobicContact CG2-CG1 4Å
30	V	97.3	Very high	94.6	Very high	71 Å²	71	45.3 Å²	45.3	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-57.8	-47.8	177.9	170.6	0	0	0	0	111	V26 A27 S32 V33 L34	V26-V30 HydrophobicContact CG1-CG2 4.3Å; V26-V30 WeakPolarHBondContact O-CG2 3.35Å; V26-V30 PolarHBondContact O-N 3.44Å; A27-V30 PolarHBondContact O-N 2.9Å; V30-S32 VanDerWaalsContact C-N 3.28Å; V30-S32 PolarHBondContact O-N 3.49Å; V30-V33 PolarHBondContact O-N 2.65Å; V30-L34 HydrophobicContact CG1-CD1 3.77Å; V30-L34 HydrophobicContact CG1-CG 4.23Å; V30-L34 WeakPolarHBondContact O-CB 3.4Å; V30-L34 VanDerWaalsContact O-CG 3.29Å; V30-L34 WeakPolarHBondContact O-CG 3.38Å; V30-L34 PolarHBondContact O-N 2.77Å
31	W	96.6	Very high	94.9	Very high	126 Å²	126	46 Å²	46	48%	0.477	23%	0.234	S	C	.	.	H	α-helix	trans	-64.9	-29.9	176.4	-81.1	105.6	0	0	0	113.6	A27 I29 L34 L35 L290 Y294	A27-W31 PolarHBondContact O-N 3.23Å; I29-W31 PolarHBondContact O-N 2.89Å; W31-L34 HydrophobicContact CE3-CD1 4.37Å; W31-L35 WeakPolarHBondContact O-CG 3.31Å; W31-L35 PolarHBondContact O-N 2.98Å; W31-L35 VanDerWaalsContact O-N 3.17Å; W31-L290 HydrophobicContact CB-CD1 3.92Å; W31-Y294 AromaticContact CD1-CZ 3.86Å; W31-Y294 PolarHBondContact NE1-OH 2.75Å
32	S	96.6	Very high	95.1	Very high	5 Å²	5	49.2 Å²	49.2	4%	0.035	25%	0.254	C	S	.	.	H	α-helix	trans	-68.5	-41.5	174.6	-54.5	0	0	0	0	111.6	S28 I29 V30 L36 S287 L290	S28-S32 WeakPolarHBondContact O-CB 3.36Å; S28-S32 PolarHBondContact O-N 3.21Å; S28-S32 PolarHBondContact O-OG 2.83Å; I29-S32 WeakPolarHBondContact O-CB 3.35Å; I29-S32 PolarHBondContact O-N 3.03Å; I29-S32 VanDerWaalsContact O-N 3.08Å; V30-S32 VanDerWaalsContact C-N 3.28Å; V30-S32 PolarHBondContact O-N 3.49Å; S32-L36 PolarHBondContact O-N 3.42Å; S32-S287 WeakPolarHBondContact OG-CA 3.33Å; S32-L290 WeakPolarHBondContact OG-CD1 3.47Å
33	V	97.2	Very high	95.4	Very high	36 Å²	36	49.1 Å²	49.1	22%	0.218	25%	0.251	C	S	.	.	H	α-helix	trans	-71	-39.5	175.9	175.8	0	0	0	0	111.3	I29 V30 L35 L36 P37 I81 I82	I29-V33 PolarHBondContact O-N 3.4Å; V30-V33 PolarHBondContact O-N 2.65Å; V33-L35 VanDerWaalsContact C-N 3.26Å; V33-L35 PolarHBondContact O-N 3.33Å; V33-L36 VanDerWaalsContact O-CB 3.31Å; V33-L36 WeakPolarHBondContact O-CB 3.38Å; V33-L36 PolarHBondContact O-N 3.3Å; V33-L36 VanDerWaalsContact O-N 3.11Å; V33-P37 WeakPolarHBondContact O-CD 3.42Å; V33-I81 HydrophobicContact CG2-CG2 4.22Å; V33-I82 HydrophobicContact CG2-CD1 4.5Å; V33-I82 HydrophobicContact CG2-CG1 4.03Å
34	L	96.6	Very high	95.4	Very high	107 Å²	107	39.8 Å²	39.8	56%	0.56	22%	0.216	S	C	*	.	H	α-helix	trans	-65.1	-26.2	176.4	-71.6	173.2	0	0	0	113.5	V30 W31	V30-L34 HydrophobicContact CG1-CD1 3.77Å; V30-L34 HydrophobicContact CG1-CG 4.23Å; V30-L34 WeakPolarHBondContact O-CB 3.4Å; V30-L34 VanDerWaalsContact O-CG 3.29Å; V30-L34 WeakPolarHBondContact O-CG 3.38Å; V30-L34 PolarHBondContact O-N 2.77Å; W31-L34 HydrophobicContact CE3-CD1 4.37Å
35	L	95.3	Very high	95.3	Very high	35 Å²	35	40 Å²	40	18%	0.183	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.5	174.3	-72.1	172.6	0	0	0	113.7	W31 V33 L38 C39 F205 I286 L290	W31-L35 WeakPolarHBondContact O-CG 3.31Å; W31-L35 PolarHBondContact O-N 2.98Å; W31-L35 VanDerWaalsContact O-N 3.17Å; V33-L35 VanDerWaalsContact C-N 3.26Å; V33-L35 PolarHBondContact O-N 3.33Å; L35-L38 HydrophobicContact CD2-CD2 4.21Å; L35-L38 PolarHBondContact O-N 3.44Å; L35-C39 PolarHBondContact O-N 3.37Å; L35-C39 VanDerWaalsContact O-N 3.1Å; L35-C39 PolarHBondContact O-SG 2.88Å; L35-F205 HydrophobicContact CD1-CE1 4.29Å; L35-F205 HydrophobicContact CD1-CE2 4.48Å; L35-F205 HydrophobicContact CD1-CZ 3.83Å; L35-I286 HydrophobicContact CB-CG2 4.39Å; L35-I286 HydrophobicContact CD1-CG2 3.73Å; L35-L290 HydrophobicContact CD1-CD1 4.09Å
36	L	95.6	Very high	95.3	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-46.6	180	174.9	66.3	0	0	0	112.7	S32 V33 L38 C39 T40 L74 L77 I81 F279 T283	S32-L36 PolarHBondContact O-N 3.42Å; V33-L36 VanDerWaalsContact O-CB 3.31Å; V33-L36 WeakPolarHBondContact O-CB 3.38Å; V33-L36 PolarHBondContact O-N 3.3Å; V33-L36 VanDerWaalsContact O-N 3.11Å; L36-L38 PolarHBondContact O-N 3.16Å; L36-C39 PolarHBondContact O-N 3.49Å; L36-T40 HydrophobicContact CD1-CG2 4.19Å; L36-T40 PolarHBondContact O-N 2.95Å; L36-T40 PolarHBondContact O-OG1 2.8Å; L36-T40 VanDerWaalsContact O-OG1 3.04Å; L36-L74 HydrophobicContact CG-CD2 4.37Å; L36-L77 HydrophobicContact CD1-CB 4.28Å; L36-L77 HydrophobicContact CD2-CB 3.71Å; L36-L77 HydrophobicContact CG-CB 4.5Å; L36-I81 HydrophobicContact CD1-CG1 4.41Å; L36-I81 HydrophobicContact CD2-CG1 4.3Å; L36-F279 HydrophobicContact CD1-CE2 4.37Å; L36-F279 HydrophobicContact CD1-CZ 4.04Å; L36-T283 HydrophobicContact CD1-CG2 3.93Å
37	P	94.5	Very high	95	Very high	60 Å²	60	41 Å²	41	39%	0.39	22%	0.218	S	C	.	.	H	α-helix	trans	-55.6	-35.8	174.3	-28.4	35.9	0	0	0	114	V33 T40 T41	V33-P37 WeakPolarHBondContact O-CD 3.42Å; P37-T40 VanDerWaalsContact CA-OG1 3.27Å; P37-T40 WeakPolarHBondContact CA-OG1 3.48Å; P37-T40 PolarHBondContact O-OG1 3.34Å; P37-T41 VanDerWaalsContact O-CB 3.3Å; P37-T41 WeakPolarHBondContact O-CB 3.43Å; P37-T41 PolarHBondContact O-N 2.87Å; P37-T41 PolarHBondContact O-OG1 2.96Å
38	L	94.4	Very high	94.6	Very high	106 Å²	106	43.6 Å²	43.6	56%	0.555	23%	0.225	S	C	*	.	H	α-helix	trans	-67.9	-43.7	175.5	179.9	64.5	0	0	0	111	L35 L36 T41 V42	L35-L38 HydrophobicContact CD2-CD2 4.21Å; L35-L38 PolarHBondContact O-N 3.44Å; L36-L38 PolarHBondContact O-N 3.16Å; L38-T41 PolarHBondContact O-N 3.28Å; L38-V42 WeakPolarHBondContact O-CG2 3.17Å; L38-V42 PolarHBondContact O-N 2.82Å; L38-V42 VanDerWaalsContact O-N 3.08Å
39	C	95.3	Very high	94.2	Very high	21 Å²	21	46.6 Å²	46.6	14%	0.142	24%	0.24	C	C	.	.	H	α-helix	trans	-66	-39.3	178.3	-62	0	0	0	0	112.5	L35 L36 F43 F279 T283 I286	L35-C39 PolarHBondContact O-N 3.37Å; L35-C39 VanDerWaalsContact O-N 3.1Å; L35-C39 PolarHBondContact O-SG 2.88Å; L36-C39 PolarHBondContact O-N 3.49Å; C39-F43 WeakPolarHBondContact O-CB 3.45Å; C39-F43 PolarHBondContact O-N 3.5Å; C39-F279 HydrophobicContact CB-CD2 4.34Å; C39-F279 HydrophobicContact CB-CE2 3.99Å; C39-T283 HydrophobicContact CB-CG2 3.74Å; C39-I286 VanDerWaalsContact SG-CD1 3.54Å
40	T	94.3	Very high	93.6	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-71.3	-36.3	175.3	45.1	0	0	0	0	112.6	L36 P37 V42 F43 I44 L74 L77 F279	L36-T40 HydrophobicContact CD1-CG2 4.19Å; L36-T40 PolarHBondContact O-N 2.95Å; L36-T40 PolarHBondContact O-OG1 2.8Å; L36-T40 VanDerWaalsContact O-OG1 3.04Å; P37-T40 VanDerWaalsContact CA-OG1 3.27Å; P37-T40 WeakPolarHBondContact CA-OG1 3.48Å; P37-T40 PolarHBondContact O-OG1 3.34Å; T40-V42 VanDerWaalsContact C-N 3.33Å; T40-F43 PolarHBondContact O-N 3.28Å; T40-I44 WeakPolarHBondContact O-CB 3.4Å; T40-I44 WeakPolarHBondContact O-CG1 3.38Å; T40-I44 PolarHBondContact O-N 2.99Å; T40-L74 HydrophobicContact CG2-CD2 3.79Å; T40-L74 WeakPolarHBondContact OG1-CD2 3.25Å; T40-L77 HydrophobicContact CG2-CD1 4.02Å; T40-F279 HydrophobicContact CG2-CE2 3.58Å; T40-F279 HydrophobicContact CG2-CZ 3.44Å; T40-F279 VanDerWaalsContact CG2-CZ 3.44Å
41	T	93.4	Very high	93.1	Very high	30 Å²	30	51 Å²	51	18%	0.184	26%	0.261	C	S	.	.	H	α-helix	trans	-56.8	-50.1	172	-64.1	0	0	0	0	110.4	P37 L38 F43 I44 I45 L65	P37-T41 VanDerWaalsContact O-CB 3.3Å; P37-T41 WeakPolarHBondContact O-CB 3.43Å; P37-T41 PolarHBondContact O-N 2.87Å; P37-T41 PolarHBondContact O-OG1 2.96Å; L38-T41 PolarHBondContact O-N 3.28Å; T41-F43 PolarHBondContact O-N 3.25Å; T41-I44 PolarHBondContact O-N 3.44Å; T41-I45 HydrophobicContact CG2-CD1 3.83Å; T41-I45 WeakPolarHBondContact O-CB 3.48Å; T41-I45 WeakPolarHBondContact O-CD1 3.11Å; T41-I45 VanDerWaalsContact O-CG1 3.27Å; T41-I45 WeakPolarHBondContact O-CG1 3.32Å; T41-I45 PolarHBondContact O-N 2.69Å; T41-L65 HydrophobicContact CG2-CD1 3.76Å
42	V	94.5	Very high	92.7	Very high	70 Å²	70	53.5 Å²	53.5	42%	0.424	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-46.8	174.7	171.7	0	0	0	0	110.9	L38 T40 I44 I45 F46	L38-V42 WeakPolarHBondContact O-CG2 3.17Å; L38-V42 PolarHBondContact O-N 2.82Å; L38-V42 VanDerWaalsContact O-N 3.08Å; T40-V42 VanDerWaalsContact C-N 3.33Å; V42-I44 PolarHBondContact O-N 3.33Å; V42-I45 PolarHBondContact O-N 3.43Å; V42-F46 HydrophobicContact CG1-CD2 3.66Å; V42-F46 HydrophobicContact CG1-CE2 3.79Å; V42-F46 VanDerWaalsContact O-CD2 3.26Å; V42-F46 WeakPolarHBondContact O-CD2 3.47Å; V42-F46 PolarHBondContact O-N 3.05Å
43	F	95.4	Very high	92.4	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.022	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-43.6	178	171.9	-100.9	0	0	0	113.7	C39 T40 T41 F46 S47 A132 I135 L275 F279	C39-F43 WeakPolarHBondContact O-CB 3.45Å; C39-F43 PolarHBondContact O-N 3.5Å; T40-F43 PolarHBondContact O-N 3.28Å; T41-F43 PolarHBondContact O-N 3.25Å; F43-F46 PolarHBondContact O-N 3.08Å; F43-S47 WeakPolarHBondContact CE2-OG 3.3Å; F43-S47 WeakPolarHBondContact CZ-OG 3.32Å; F43-S47 VanDerWaalsContact O-CB 3.28Å; F43-S47 WeakPolarHBondContact O-CB 3.37Å; F43-S47 PolarHBondContact O-N 3.41Å; F43-S47 PolarHBondContact O-OG 3.36Å; F43-A132 HydrophobicContact CE1-CB 4.11Å; F43-A132 HydrophobicContact CE2-CB 4.44Å; F43-A132 HydrophobicContact CZ-CB 3.73Å; F43-I135 HydrophobicContact CD1-CG2 4.22Å; F43-I135 HydrophobicContact CE1-CB 4.32Å; F43-I135 HydrophobicContact CE1-CG2 3.93Å; F43-L275 HydrophobicContact CD2-CD2 4.17Å; F43-L275 HydrophobicContact CD2-CG 3.82Å; F43-L275 HydrophobicContact CE2-CB 4.5Å; F43-L275 HydrophobicContact CE2-CD2 4.14Å; F43-L275 HydrophobicContact CE2-CG 3.88Å; F43-F279 HydrophobicContact CB-CB 4.35Å; F43-F279 HydrophobicContact CB-CD2 3.79Å; F43-F279 HydrophobicContact CB-CE2 4.4Å; F43-F279 HydrophobicContact CB-CG 4.13Å; F43-F279 HydrophobicContact CD2-CB 3.67Å; F43-F279 HydrophobicContact CD2-CG 4.02Å; F43-F279 HydrophobicContact CE2-CB 4.32Å; F43-F279 HydrophobicContact CG-CB 4.17Å; F43-F279 HydrophobicContact CG-CD2 4.19Å; F43-F279 HydrophobicContact CG-CG 4.04Å
44	I	93.8	Very high	92	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-47.7	179	-74.3	162	0	0	0	110.5	T40 T41 V42 F46 S47 R48 L65 V70 I135	T40-I44 WeakPolarHBondContact O-CB 3.4Å; T40-I44 WeakPolarHBondContact O-CG1 3.38Å; T40-I44 PolarHBondContact O-N 2.99Å; T41-I44 PolarHBondContact O-N 3.44Å; V42-I44 PolarHBondContact O-N 3.33Å; I44-F46 PolarHBondContact O-N 3.13Å; I44-S47 PolarHBondContact O-N 3.45Å; I44-S47 VanDerWaalsContact O-N 3.16Å; I44-R48 PolarHBondContact O-N 3.29Å; I44-L65 HydrophobicContact CD1-CD2 3.54Å; I44-L65 HydrophobicContact CD1-CG 4.33Å; I44-V70 HydrophobicContact CD1-CG1 4.03Å; I44-I135 HydrophobicContact CD1-CG2 3.8Å; I44-I135 HydrophobicContact CG1-CG2 3.4Å
45	I	92.8	Very high	91.7	Very high	28 Å²	28	60.4 Å²	60.4	14%	0.144	32%	0.316	C	S	.	.	H	α-helix	trans	-55	-53.1	175.8	-70.8	168.3	0	0	0	109.8	T41 V42 S47 R48 W57 L58	T41-I45 HydrophobicContact CG2-CD1 3.83Å; T41-I45 WeakPolarHBondContact O-CB 3.48Å; T41-I45 WeakPolarHBondContact O-CD1 3.11Å; T41-I45 VanDerWaalsContact O-CG1 3.27Å; T41-I45 WeakPolarHBondContact O-CG1 3.32Å; T41-I45 PolarHBondContact O-N 2.69Å; V42-I45 PolarHBondContact O-N 3.43Å; I45-S47 VanDerWaalsContact C-N 3.35Å; I45-S47 PolarHBondContact O-N 2.73Å; I45-R48 PolarHBondContact O-N 2.9Å; I45-W57 HydrophobicContact CG2-CH2 4.09Å; I45-W57 HydrophobicContact CG2-CZ2 3.37Å; I45-W57 VanDerWaalsContact O-CE2 3.3Å; I45-W57 VanDerWaalsContact O-CZ2 3.27Å; I45-W57 WeakPolarHBondContact O-CZ2 3.5Å; I45-W57 PolarHBondContact O-NE1 2.92Å; I45-L58 HydrophobicContact CG2-CD2 4.3Å
46	F	92.9	Very high	91.4	Very high	99 Å²	99	64.2 Å²	64.2	43%	0.434	33%	0.333	S	S	.	.	H	α-helix	trans	-65.5	-33.5	178.5	-81.1	-75.9	0	0	0	113.3	V42 F43 I44 R48 I49 Y271 L275	V42-F46 HydrophobicContact CG1-CD2 3.66Å; V42-F46 HydrophobicContact CG1-CE2 3.79Å; V42-F46 VanDerWaalsContact O-CD2 3.26Å; V42-F46 WeakPolarHBondContact O-CD2 3.47Å; V42-F46 PolarHBondContact O-N 3.05Å; F43-F46 PolarHBondContact O-N 3.08Å; I44-F46 PolarHBondContact O-N 3.13Å; F46-R48 PolarHBondContact O-N 3.44Å; F46-I49 HydrophobicContact CD1-CD1 3.51Å; F46-I49 HydrophobicContact CE1-CD1 4.08Å; F46-I49 HydrophobicContact CG-CD1 4.39Å; F46-Y271 PolarHBondContact O-OH 2.69Å; F46-L275 HydrophobicContact CB-CD1 3.73Å; F46-L275 HydrophobicContact CB-CD2 3.74Å; F46-L275 HydrophobicContact CB-CG 4.39Å; F46-L275 HydrophobicContact CG-CD1 4.45Å
47	S	90.8	Very high	91.1	Very high	9 Å²	9	66.4 Å²	66.4	6%	0.063	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-26.3	-178.9	-65	0	0	0	0	113.4	F43 I44 I45 H272 L275	F43-S47 WeakPolarHBondContact CE2-OG 3.3Å; F43-S47 WeakPolarHBondContact CZ-OG 3.32Å; F43-S47 VanDerWaalsContact O-CB 3.28Å; F43-S47 WeakPolarHBondContact O-CB 3.37Å; F43-S47 PolarHBondContact O-N 3.41Å; F43-S47 PolarHBondContact O-OG 3.36Å; I44-S47 PolarHBondContact O-N 3.45Å; I44-S47 VanDerWaalsContact O-N 3.16Å; I45-S47 VanDerWaalsContact C-N 3.35Å; I45-S47 PolarHBondContact O-N 2.73Å; S47-H272 PolarHBondContact O-NE2 3.42Å; S47-L275 WeakPolarHBondContact OG-CD2 3.4Å
48	R	85.8	Confident	90.9	Very high	66 Å²	66	66.7 Å²	66.7	25%	0.249	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	25.2	-174.8	-60.2	-162.3	-173.8	173.6	18	113.9	I44 I45 F46 D50 W57 D64 Q137	I44-R48 PolarHBondContact O-N 3.29Å; I45-R48 PolarHBondContact O-N 2.9Å; F46-R48 PolarHBondContact O-N 3.44Å; R48-D50 PolarHBondContact O-N 3.45Å; R48-W57 PolarHBondContact O-NE1 3.13Å; R48-D64 IonicContact CZ-OD1 3.49Å; R48-D64 IonicContact CZ-OD2 2.67Å; R48-D64 IonicContact NH1-OD1 3.63Å; R48-D64 IonicContact NH1-OD2 2.63Å; R48-D64 PolarHBondContact NH1-OD2 2.93Å; R48-D64 IonicContact NH2-OD1 2.79Å; R48-D64 PolarHBondContact NH2-OD1 2.87Å; R48-D64 IonicContact NH2-OD2 3.71Å; R48-D64 PolarHBondContact NH2-OD2 3.23Å; R48-D64 VanDerWaalsContact NH2-OD2 3.17Å; R48-Q137 VanDerWaalsContact NH2-CD 3.3Å; R48-Q137 VanDerWaalsContact NH2-NE2 3.15Å
49	I	87.5	Confident	90.6	Very high	65 Å²	65	65.1 Å²	65.1	33%	0.333	34%	0.336	S	S	.	.			trans	-50.9	113.2	-179.8	-80.8	171.5	0	0	0	111.2	F46 L51 W57	F46-I49 HydrophobicContact CD1-CD1 3.51Å; F46-I49 HydrophobicContact CE1-CD1 4.08Å; F46-I49 HydrophobicContact CG-CD1 4.39Å; I49-L51 HydrophobicContact CG2-CD2 3.82Å; I49-L51 HydrophobicContact CG2-CG 3.86Å; I49-W57 HydrophobicContact CB-CZ2 4.37Å; I49-W57 HydrophobicContact CD1-CZ2 4.32Å; I49-W57 HydrophobicContact CG1-CH2 3.87Å; I49-W57 HydrophobicContact CG1-CZ2 3.37Å
50	D	84.8	Confident	90.2	Very high	57 Å²	57	67.3 Å²	67.3	31%	0.305	35%	0.347	S	S	.	.			trans	-115.4	111.5	158.6	-175.2	-3.6	0	0	0	108.4	R48 F52 H53 W57	R48-D50 PolarHBondContact O-N 3.45Å; D50-F52 VanDerWaalsContact C-N 3.26Å; D50-F52 PolarHBondContact O-N 2.97Å; D50-F52 WeakPolarHBondContact OD1-CB 3.43Å; D50-F52 PolarHBondContact OD1-N 2.87Å; D50-H53 IonicContact OD1-ND1 3.55Å; D50-H53 IonicContact OD2-CE1 3.78Å; D50-H53 IonicContact OD2-CG 2.71Å; D50-H53 IonicContact OD2-ND1 3.22Å; D50-H53 PolarHBondContact OD2-ND1 2.98Å; D50-W57 HydrophobicContact CB-CB 4.33Å
51	L	86.3	Confident	90	Very high	139 Å²	139	67.3 Å²	67.3	73%	0.728	35%	0.347	S	S	*	.	S	Bend	trans	-74.3	-17.5	179.7	-63.3	176.7	0	0	0	112.7	I49	I49-L51 HydrophobicContact CG2-CD2 3.82Å; I49-L51 HydrophobicContact CG2-CG 3.86Å
52	F	89.4	Confident	89.7	Confident	179 Å²	179	70.8 Å²	70.8	79%	0.785	36%	0.36	S	S	*	.	S	Bend	trans	-91.6	-24.1	-176.9	-61	-76.3	0	0	0	112.8	D50	D50-F52 VanDerWaalsContact C-N 3.26Å; D50-F52 PolarHBondContact O-N 2.97Å; D50-F52 WeakPolarHBondContact OD1-CB 3.43Å; D50-F52 PolarHBondContact OD1-N 2.87Å
53	H	89.3	Confident	89.4	Confident	104 Å²	104	71.5 Å²	71.5	48%	0.481	37%	0.367	S	S	.	.			trans	-126.9	62.4	-180	-51.5	98.8	0	0	0	112.7	D50 V55 Q56 W57	D50-H53 IonicContact OD1-ND1 3.55Å; D50-H53 IonicContact OD2-CE1 3.78Å; D50-H53 IonicContact OD2-CG 2.71Å; D50-H53 IonicContact OD2-ND1 3.22Å; D50-H53 PolarHBondContact OD2-ND1 2.98Å; H53-V55 VanDerWaalsContact C-N 3.32Å; H53-V55 PolarHBondContact O-N 3.33Å; H53-Q56 HydrophobicContact CB-CB 4.14Å; H53-Q56 PolarHBondContact O-N 3Å; H53-Q56 VanDerWaalsContact O-N 3.14Å; H53-W57 WeakPolarHBondContact O-CB 3.21Å; H53-W57 PolarHBondContact O-N 3.18Å
54	P	89.1	Confident	88.8	Confident	67 Å²	67	72.3 Å²	72.3	44%	0.435	37%	0.372	S	S	.	.	H	α-helix	trans	-63.2	-32.3	-167.5	24	-35	0	0	0	114.6	W57 L58	P54-W57 HydrophobicContact CB-CE3 4.47Å; P54-L58 WeakPolarHBondContact O-CB 3.3Å; P54-L58 VanDerWaalsContact O-CG 3.28Å; P54-L58 WeakPolarHBondContact O-CG 3.32Å; P54-L58 PolarHBondContact O-N 2.93Å
55	V	89.8	Confident	88.4	Confident	121 Å²	121	73.4 Å²	73.4	73%	0.733	38%	0.378	S	S	*	.	H	α-helix	trans	-71.9	-41.9	177.8	-179.4	0	0	0	0	111.1	H53 S59	H53-V55 VanDerWaalsContact C-N 3.32Å; H53-V55 PolarHBondContact O-N 3.33Å; V55-S59 VanDerWaalsContact O-CB 3.26Å; V55-S59 WeakPolarHBondContact O-CB 3.29Å; V55-S59 PolarHBondContact O-N 2.64Å
56	Q	89.4	Confident	88.1	Confident	116 Å²	116	81.1 Å²	81.1	54%	0.542	41%	0.407	S	S	.	.	H	α-helix	trans	-68.3	-48.3	177.8	-178.1	172.9	-9	0	0	110.8	H53 L58 S59 D60	H53-Q56 HydrophobicContact CB-CB 4.14Å; H53-Q56 PolarHBondContact O-N 3Å; H53-Q56 VanDerWaalsContact O-N 3.14Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 PolarHBondContact O-N 3.41Å; Q56-S59 PolarHBondContact O-N 3.11Å; Q56-S59 VanDerWaalsContact O-N 3.12Å; Q56-D60 WeakPolarHBondContact CG-OD2 3.43Å; Q56-D60 WeakPolarHBondContact O-CB 3.41Å; Q56-D60 VanDerWaalsContact O-CG 3.25Å; Q56-D60 PolarHBondContact O-N 3.27Å
57	W	90.3	Very high	87.9	Confident	47 Å²	47	78.3 Å²	78.3	18%	0.178	40%	0.399	C	S	.	.	H	α-helix	trans	-49.5	-49.1	173.8	161.3	44.4	0	0	0	112.7	I45 R48 I49 D50 H53 P54 S61	I45-W57 HydrophobicContact CG2-CH2 4.09Å; I45-W57 HydrophobicContact CG2-CZ2 3.37Å; I45-W57 VanDerWaalsContact O-CE2 3.3Å; I45-W57 VanDerWaalsContact O-CZ2 3.27Å; I45-W57 WeakPolarHBondContact O-CZ2 3.5Å; I45-W57 PolarHBondContact O-NE1 2.92Å; R48-W57 PolarHBondContact O-NE1 3.13Å; I49-W57 HydrophobicContact CB-CZ2 4.37Å; I49-W57 HydrophobicContact CD1-CZ2 4.32Å; I49-W57 HydrophobicContact CG1-CH2 3.87Å; I49-W57 HydrophobicContact CG1-CZ2 3.37Å; D50-W57 HydrophobicContact CB-CB 4.33Å; H53-W57 WeakPolarHBondContact O-CB 3.21Å; H53-W57 PolarHBondContact O-N 3.18Å; P54-W57 HydrophobicContact CB-CE3 4.47Å; W57-S61 VanDerWaalsContact O-CB 3.25Å; W57-S61 WeakPolarHBondContact O-CB 3.42Å; W57-S61 PolarHBondContact O-N 3.43Å; W57-S61 PolarHBondContact O-OG 2.9Å
58	L	88.8	Confident	87.9	Confident	67 Å²	67	82.4 Å²	82.4	35%	0.351	43%	0.428	S	S	.	.	H	α-helix	trans	-68.2	-44.7	178.3	-71.3	171.8	0	0	0	111.8	I45 P54 Q56 D60 S61 F62	I45-L58 HydrophobicContact CG2-CD2 4.3Å; P54-L58 WeakPolarHBondContact O-CB 3.3Å; P54-L58 VanDerWaalsContact O-CG 3.28Å; P54-L58 WeakPolarHBondContact O-CG 3.32Å; P54-L58 PolarHBondContact O-N 2.93Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 PolarHBondContact O-N 3.41Å; L58-D60 PolarHBondContact O-N 2.86Å; L58-S61 PolarHBondContact O-N 2.9Å; L58-F62 WeakPolarHBondContact O-CD2 3.33Å; L58-F62 PolarHBondContact O-N 3.42Å
59	S	89.9	Confident	88.1	Confident	72 Å²	72	82 Å²	82	50%	0.503	43%	0.427	S	S	.	.	H	α-helix	trans	-57.8	-48.7	178	-178.2	0	0	0	0	112	V55 Q56 F62 S63	V55-S59 VanDerWaalsContact O-CB 3.26Å; V55-S59 WeakPolarHBondContact O-CB 3.29Å; V55-S59 PolarHBondContact O-N 2.64Å; Q56-S59 PolarHBondContact O-N 3.11Å; Q56-S59 VanDerWaalsContact O-N 3.12Å; S59-F62 PolarHBondContact O-N 2.85Å; S59-S63 WeakPolarHBondContact O-CB 3.22Å; S59-S63 PolarHBondContact O-N 3.37Å
60	D	86.9	Confident	88.2	Confident	68 Å²	68	78.9 Å²	78.9	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-64	-46.9	179.1	-64.6	-12.2	0	0	0	109.9	Q56 L58 F62 S63 D64	Q56-D60 WeakPolarHBondContact CG-OD2 3.43Å; Q56-D60 WeakPolarHBondContact O-CB 3.41Å; Q56-D60 VanDerWaalsContact O-CG 3.25Å; Q56-D60 PolarHBondContact O-N 3.27Å; L58-D60 PolarHBondContact O-N 2.86Å; D60-F62 VanDerWaalsContact C-N 3.3Å; D60-F62 PolarHBondContact O-N 3.06Å; D60-S63 WeakPolarHBondContact O-CB 3.2Å; D60-S63 PolarHBondContact O-N 3.07Å; D60-D64 PolarHBondContact O-N 2.85Å
61	S	88.4	Confident	88.6	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-57.1	-38.7	175.5	-61.1	0	0	0	0	113.3	W57 L58 L65	W57-S61 VanDerWaalsContact O-CB 3.25Å; W57-S61 WeakPolarHBondContact O-CB 3.42Å; W57-S61 PolarHBondContact O-N 3.43Å; W57-S61 PolarHBondContact O-OG 2.9Å; L58-S61 PolarHBondContact O-N 2.9Å; S61-L65 WeakPolarHBondContact O-CG 3.3Å
62	F	87.4	Confident	88.9	Confident	104 Å²	104	79.6 Å²	79.6	46%	0.456	41%	0.408	S	S	.	.	H	α-helix	trans	-73.5	-35.9	175.2	-80.6	-64.1	0	0	0	112.6	L58 S59 D60 L65 Y66	L58-F62 WeakPolarHBondContact O-CD2 3.33Å; L58-F62 PolarHBondContact O-N 3.42Å; S59-F62 PolarHBondContact O-N 2.85Å; D60-F62 VanDerWaalsContact C-N 3.3Å; D60-F62 PolarHBondContact O-N 3.06Å; F62-L65 HydrophobicContact CD1-CD1 3.93Å; F62-L65 HydrophobicContact CE1-CD1 4.41Å; F62-L65 PolarHBondContact O-N 3.49Å; F62-Y66 VanDerWaalsContact O-CD2 3.26Å; F62-Y66 WeakPolarHBondContact O-CD2 2.98Å
63	S	87.9	Confident	89.1	Confident	84 Å²	84	72.7 Å²	72.7	59%	0.587	38%	0.377	S	S	*	.	H	α-helix	trans	-62.6	-45	176.1	-166	0	0	0	0	111.5	S59 D60 L65 Y66	S59-S63 WeakPolarHBondContact O-CB 3.22Å; S59-S63 PolarHBondContact O-N 3.37Å; D60-S63 WeakPolarHBondContact O-CB 3.2Å; D60-S63 PolarHBondContact O-N 3.07Å; S63-L65 VanDerWaalsContact C-N 3.28Å; S63-L65 PolarHBondContact O-N 2.67Å; S63-Y66 PolarHBondContact O-N 3.47Å
64	D	84.4	Confident	89.3	Confident	23 Å²	23	69.1 Å²	69.1	12%	0.123	36%	0.362	C	S	.	.	H	α-helix	trans	-60.7	-33	177.6	-76.6	-79.2	0	0	0	113.3	R48 D60 Y66 S67 Y69 V70 Q137	R48-D64 IonicContact CZ-OD1 3.49Å; R48-D64 IonicContact CZ-OD2 2.67Å; R48-D64 IonicContact NH1-OD1 3.63Å; R48-D64 IonicContact NH1-OD2 2.63Å; R48-D64 PolarHBondContact NH1-OD2 2.93Å; R48-D64 IonicContact NH2-OD1 2.79Å; R48-D64 PolarHBondContact NH2-OD1 2.87Å; R48-D64 IonicContact NH2-OD2 3.71Å; R48-D64 PolarHBondContact NH2-OD2 3.23Å; R48-D64 VanDerWaalsContact NH2-OD2 3.17Å; D60-D64 PolarHBondContact O-N 2.85Å; D64-Y66 PolarHBondContact O-N 3.3Å; D64-S67 WeakPolarHBondContact O-CB 3.39Å; D64-S67 PolarHBondContact O-N 2.81Å; D64-Y69 PolarHBondContact OD1-OH 3.11Å; D64-V70 WeakPolarHBondContact O-CB 3.32Å; D64-V70 WeakPolarHBondContact O-CG2 3.35Å; D64-Q137 PolarHBondContact OD1-NE2 3.45Å
65	L	84.4	Confident	89.6	Confident	26 Å²	26	71.5 Å²	71.5	14%	0.136	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-29.9	178.6	-73.1	167	0	0	0	113.6	T41 I44 S61 F62 S63 S67 V70	T41-L65 HydrophobicContact CG2-CD1 3.76Å; I44-L65 HydrophobicContact CD1-CD2 3.54Å; I44-L65 HydrophobicContact CD1-CG 4.33Å; S61-L65 WeakPolarHBondContact O-CG 3.3Å; F62-L65 HydrophobicContact CD1-CD1 3.93Å; F62-L65 HydrophobicContact CE1-CD1 4.41Å; F62-L65 PolarHBondContact O-N 3.49Å; S63-L65 VanDerWaalsContact C-N 3.28Å; S63-L65 PolarHBondContact O-N 2.67Å; L65-S67 VanDerWaalsContact C-N 3.34Å; L65-V70 HydrophobicContact CD2-CG1 4.49Å
66	Y	86	Confident	89.9	Confident	191 Å²	191	68 Å²	68	75%	0.749	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.9	176.2	-66.7	-75.9	0	0	0	113.1	F62 S63 D64	F62-Y66 VanDerWaalsContact O-CD2 3.26Å; F62-Y66 WeakPolarHBondContact O-CD2 2.98Å; S63-Y66 PolarHBondContact O-N 3.47Å; D64-Y66 PolarHBondContact O-N 3.3Å
67	S	90.3	Very high	90.3	Very high	39 Å²	39	62.5 Å²	62.5	27%	0.273	32%	0.322	S	S	.	.	S	Bend	trans	-72.1	141.2	-179.6	-162.9	0	0	0	0	111.9	D64 L65 Y69 V70 I71	D64-S67 WeakPolarHBondContact O-CB 3.39Å; D64-S67 PolarHBondContact O-N 2.81Å; L65-S67 VanDerWaalsContact C-N 3.34Å; S67-Y69 PolarHBondContact O-N 2.68Å; S67-Y69 VanDerWaalsContact O-N 3.14Å; S67-Y69 WeakPolarHBondContact OG-CD1 3.44Å; S67-Y69 WeakPolarHBondContact OG-CE1 3.29Å; S67-V70 PolarHBondContact O-N 2.77Å; S67-I71 PolarHBondContact O-N 3.17Å; S67-I71 VanDerWaalsContact O-N 3.14Å
68	S	90.5	Very high	90.6	Very high	96 Å²	96	61.3 Å²	61.3	67%	0.671	32%	0.32	S	S	*	.	H	α-helix	trans	-58.3	-31.6	-174.7	55.9	0	0	0	0	113.2	F72	S68-F72 PolarHBondContact O-N 3.36Å
69	Y	89.5	Confident	91.1	Very high	57 Å²	57	61.9 Å²	61.9	22%	0.224	33%	0.326	C	S	.	.	H	α-helix	trans	-70.5	-40.8	177	80.9	-92.8	0	0	0	112.1	D64 S67 I71 F72 Y73 Q137	D64-Y69 PolarHBondContact OD1-OH 3.11Å; S67-Y69 PolarHBondContact O-N 2.68Å; S67-Y69 VanDerWaalsContact O-N 3.14Å; S67-Y69 WeakPolarHBondContact OG-CD1 3.44Å; S67-Y69 WeakPolarHBondContact OG-CE1 3.29Å; Y69-I71 VanDerWaalsContact C-N 3.33Å; Y69-I71 PolarHBondContact O-N 2.95Å; Y69-F72 WeakPolarHBondContact O-CB 3.27Å; Y69-F72 PolarHBondContact O-N 2.98Å; Y69-Y73 HydrophobicContact CD2-CD2 4.04Å; Y69-Y73 HydrophobicContact CD2-CE2 4.09Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.5Å; Y69-Y73 PolarHBondContact O-N 2.99Å; Y69-Q137 PolarHBondContact OH-NE2 2.83Å
70	V	90.4	Very high	91.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-40.3	176.4	178.7	0	0	0	0	110.3	I44 D64 L65 S67 F72 Y73 L74	I44-V70 HydrophobicContact CD1-CG1 4.03Å; D64-V70 WeakPolarHBondContact O-CB 3.32Å; D64-V70 WeakPolarHBondContact O-CG2 3.35Å; L65-V70 HydrophobicContact CD2-CG1 4.49Å; S67-V70 PolarHBondContact O-N 2.77Å; V70-F72 VanDerWaalsContact C-N 3.33Å; V70-F72 PolarHBondContact O-N 3.13Å; V70-Y73 PolarHBondContact O-N 3.14Å; V70-L74 HydrophobicContact CG1-CD1 4.07Å; V70-L74 HydrophobicContact CG1-CG 4.34Å; V70-L74 WeakPolarHBondContact O-CB 3.41Å; V70-L74 VanDerWaalsContact O-CG 3.32Å; V70-L74 WeakPolarHBondContact O-CG 3.29Å; V70-L74 PolarHBondContact O-N 2.9Å
71	I	91.5	Very high	92	Very high	85 Å²	85	55.5 Å²	55.5	44%	0.436	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-42.8	174.6	-63.2	168.7	0	0	0	111	S67 Y69 L74 L75	S67-I71 PolarHBondContact O-N 3.17Å; S67-I71 VanDerWaalsContact O-N 3.14Å; Y69-I71 VanDerWaalsContact C-N 3.33Å; Y69-I71 PolarHBondContact O-N 2.95Å; I71-L74 WeakPolarHBondContact O-CB 3.4Å; I71-L74 PolarHBondContact O-N 3.17Å; I71-L75 WeakPolarHBondContact O-CG 3.36Å; I71-L75 PolarHBondContact O-N 3.42Å; I71-L75 VanDerWaalsContact O-N 3.12Å
72	F	93.9	Very high	92.4	Very high	125 Å²	125	58.7 Å²	58.7	55%	0.548	30%	0.303	S	S	.	.	H	α-helix	trans	-61.8	-47.1	174.6	176.7	-96.3	0	0	0	112.5	S68 Y69 V70 L74 L75 L76	S68-F72 PolarHBondContact O-N 3.36Å; Y69-F72 WeakPolarHBondContact O-CB 3.27Å; Y69-F72 PolarHBondContact O-N 2.98Å; V70-F72 VanDerWaalsContact C-N 3.33Å; V70-F72 PolarHBondContact O-N 3.13Å; F72-L74 VanDerWaalsContact C-N 3.31Å; F72-L74 PolarHBondContact O-N 2.92Å; F72-L75 PolarHBondContact O-N 2.81Å; F72-L76 PolarHBondContact O-N 3.46Å; F72-L76 VanDerWaalsContact O-N 3.09Å
73	Y	93.3	Very high	92.9	Very high	34 Å²	34	56 Å²	56	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-67.1	-30.3	177.4	-69.9	-61.8	0	0	0	112.9	Y69 V70 L76 L77 C131 V134 I135	Y69-Y73 HydrophobicContact CD2-CD2 4.04Å; Y69-Y73 HydrophobicContact CD2-CE2 4.09Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.5Å; Y69-Y73 PolarHBondContact O-N 2.99Å; V70-Y73 PolarHBondContact O-N 3.14Å; Y73-L76 HydrophobicContact CD1-CD2 4.46Å; Y73-L76 PolarHBondContact O-N 3.42Å; Y73-L77 VanDerWaalsContact O-CB 3.3Å; Y73-L77 WeakPolarHBondContact O-CB 3.49Å; Y73-L77 WeakPolarHBondContact O-CD1 3.36Å; Y73-L77 WeakPolarHBondContact O-CG 3.45Å; Y73-L77 PolarHBondContact O-N 3.16Å; Y73-C131 HydrophobicContact CD1-CB 4.13Å; Y73-V134 HydrophobicContact CE2-CB 4.1Å; Y73-V134 HydrophobicContact CE2-CG1 3.57Å; Y73-I135 HydrophobicContact CD2-CG1 4.26Å; Y73-I135 HydrophobicContact CG-CG1 4.47Å
74	L	94.3	Very high	93.3	Very high	30 Å²	30	52 Å²	52	16%	0.157	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-40.9	171	-82.1	169	0	0	0	112.3	L36 T40 V70 I71 F72 S78	L36-L74 HydrophobicContact CG-CD2 4.37Å; T40-L74 HydrophobicContact CG2-CD2 3.79Å; T40-L74 WeakPolarHBondContact OG1-CD2 3.25Å; V70-L74 HydrophobicContact CG1-CD1 4.07Å; V70-L74 HydrophobicContact CG1-CG 4.34Å; V70-L74 WeakPolarHBondContact O-CB 3.41Å; V70-L74 VanDerWaalsContact O-CG 3.32Å; V70-L74 WeakPolarHBondContact O-CG 3.29Å; V70-L74 PolarHBondContact O-N 2.9Å; I71-L74 WeakPolarHBondContact O-CB 3.4Å; I71-L74 PolarHBondContact O-N 3.17Å; F72-L74 VanDerWaalsContact C-N 3.31Å; F72-L74 PolarHBondContact O-N 2.92Å; L74-S78 WeakPolarHBondContact O-CB 3.47Å; L74-S78 PolarHBondContact O-N 3.08Å; L74-S78 PolarHBondContact O-OG 3.16Å
75	L	95.3	Very high	93.8	Very high	117 Å²	117	51.1 Å²	51.1	61%	0.613	26%	0.26	S	S	*	.	H	α-helix	trans	-65.1	-44.2	174.4	-67	172.7	0	0	0	111.2	I71 F72 S78 V79	I71-L75 WeakPolarHBondContact O-CG 3.36Å; I71-L75 PolarHBondContact O-N 3.42Å; I71-L75 VanDerWaalsContact O-N 3.12Å; F72-L75 PolarHBondContact O-N 2.81Å; L75-S78 WeakPolarHBondContact O-CB 3.45Å; L75-S78 PolarHBondContact O-N 3.18Å; L75-V79 PolarHBondContact O-N 3.23Å; L75-V79 VanDerWaalsContact O-N 3.1Å
76	L	96.2	Very high	94.3	Very high	48 Å²	48	54 Å²	54	25%	0.251	28%	0.275	S	S	.	.	H	α-helix	trans	-63	-44.5	176.6	-178.2	55.6	0	0	0	112.1	F72 Y73 S78 V79 V80 V127 W130	F72-L76 PolarHBondContact O-N 3.46Å; F72-L76 VanDerWaalsContact O-N 3.09Å; Y73-L76 HydrophobicContact CD1-CD2 4.46Å; Y73-L76 PolarHBondContact O-N 3.42Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 2.94Å; L76-V79 WeakPolarHBondContact O-CB 3.36Å; L76-V79 PolarHBondContact O-N 3.21Å; L76-V80 PolarHBondContact O-N 3.13Å; L76-V80 VanDerWaalsContact O-N 3.1Å; L76-V127 HydrophobicContact CD1-CG1 4.3Å; L76-V127 HydrophobicContact CD2-CG1 4.26Å; L76-V127 HydrophobicContact CG-CG1 4.16Å; L76-W130 HydrophobicContact CD2-CZ3 4.42Å
77	L	96.8	Very high	94.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-33.5	173.9	-72.1	166.2	0	0	0	111.9	L36 T40 Y73 V80 I81 M128 C131 I135 F279	L36-L77 HydrophobicContact CD1-CB 4.28Å; L36-L77 HydrophobicContact CD2-CB 3.71Å; L36-L77 HydrophobicContact CG-CB 4.5Å; T40-L77 HydrophobicContact CG2-CD1 4.02Å; Y73-L77 VanDerWaalsContact O-CB 3.3Å; Y73-L77 WeakPolarHBondContact O-CB 3.49Å; Y73-L77 WeakPolarHBondContact O-CD1 3.36Å; Y73-L77 WeakPolarHBondContact O-CG 3.45Å; Y73-L77 PolarHBondContact O-N 3.16Å; L77-V80 WeakPolarHBondContact O-CB 3.48Å; L77-V80 PolarHBondContact O-N 3.22Å; L77-I81 WeakPolarHBondContact O-CG1 3.43Å; L77-I81 PolarHBondContact O-N 3.39Å; L77-M128 HydrophobicContact CD2-CB 4.24Å; L77-M128 HydrophobicContact CD2-CE 3.84Å; L77-M128 HydrophobicContact CD2-CG 3.8Å; L77-C131 HydrophobicContact CD1-CB 4.11Å; L77-C131 HydrophobicContact CD2-CB 3.87Å; L77-C131 HydrophobicContact CG-CB 3.95Å; L77-I135 HydrophobicContact CD1-CD1 4.38Å; L77-F279 HydrophobicContact CD1-CE1 4.27Å; L77-F279 HydrophobicContact CD1-CZ 4.1Å; L77-F279 HydrophobicContact CD2-CE1 4.22Å
78	S	97.4	Very high	94.9	Very high	22 Å²	22	44 Å²	44	15%	0.154	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-41.6	174.3	-60.2	0	0	0	0	111.6	L74 L75 L76 V80 I81 I82	L74-S78 WeakPolarHBondContact O-CB 3.47Å; L74-S78 PolarHBondContact O-N 3.08Å; L74-S78 PolarHBondContact O-OG 3.16Å; L75-S78 WeakPolarHBondContact O-CB 3.45Å; L75-S78 PolarHBondContact O-N 3.18Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 2.94Å; S78-V80 VanDerWaalsContact C-N 3.35Å; S78-V80 PolarHBondContact O-N 3.41Å; S78-I81 PolarHBondContact O-N 2.88Å; S78-I82 VanDerWaalsContact O-CG1 3.29Å; S78-I82 WeakPolarHBondContact O-CG1 3.29Å; S78-I82 PolarHBondContact O-N 3.08Å
79	V	97.9	Very high	95	Very high	78 Å²	78	40.9 Å²	40.9	47%	0.473	21%	0.207	S	C	.	.	H	α-helix	trans	-61.1	-43.1	172.9	176	0	0	0	0	111	L75 L76 I81 I82 I83	L75-V79 PolarHBondContact O-N 3.23Å; L75-V79 VanDerWaalsContact O-N 3.1Å; L76-V79 WeakPolarHBondContact O-CB 3.36Å; L76-V79 PolarHBondContact O-N 3.21Å; V79-I81 PolarHBondContact O-N 3.42Å; V79-I82 PolarHBondContact O-N 3Å; V79-I83 HydrophobicContact CG1-CD1 3.96Å; V79-I83 WeakPolarHBondContact O-CG1 3.43Å; V79-I83 PolarHBondContact O-N 3.02Å
80	V	97.9	Very high	95.1	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-48.5	174.8	174.9	0	0	0	0	111	L76 L77 S78 I82 I83 I84 M124 V127 M128	L76-V80 PolarHBondContact O-N 3.13Å; L76-V80 VanDerWaalsContact O-N 3.1Å; L77-V80 WeakPolarHBondContact O-CB 3.48Å; L77-V80 PolarHBondContact O-N 3.22Å; S78-V80 VanDerWaalsContact C-N 3.35Å; S78-V80 PolarHBondContact O-N 3.41Å; V80-I82 VanDerWaalsContact C-N 3.32Å; V80-I82 PolarHBondContact O-N 2.95Å; V80-I83 PolarHBondContact O-N 3.32Å; V80-I84 HydrophobicContact CG1-CG1 4.28Å; V80-I84 WeakPolarHBondContact O-CG1 3.39Å; V80-I84 PolarHBondContact O-N 2.88Å; V80-M124 HydrophobicContact CB-SD 4.31Å; V80-M124 HydrophobicContact CG1-CB 3.97Å; V80-M124 HydrophobicContact CG1-CG 4.39Å; V80-M124 HydrophobicContact CG1-SD 4.08Å; V80-M124 HydrophobicContact CG2-SD 4.03Å; V80-V127 HydrophobicContact CG2-CB 4.31Å; V80-V127 HydrophobicContact CG2-CG1 3.77Å; V80-M128 HydrophobicContact CG1-CE 3.89Å
81	I	97.6	Very high	95.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-36.3	179.1	-64.9	-59.1	0	0	0	112.1	V33 L36 L77 S78 V79 S85 M128	V33-I81 HydrophobicContact CG2-CG2 4.22Å; L36-I81 HydrophobicContact CD1-CG1 4.41Å; L36-I81 HydrophobicContact CD2-CG1 4.3Å; L77-I81 WeakPolarHBondContact O-CG1 3.43Å; L77-I81 PolarHBondContact O-N 3.39Å; S78-I81 PolarHBondContact O-N 2.88Å; V79-I81 PolarHBondContact O-N 3.42Å; I81-S85 VanDerWaalsContact O-CB 3.27Å; I81-S85 WeakPolarHBondContact O-CB 3.42Å; I81-S85 PolarHBondContact O-N 3.37Å; I81-S85 PolarHBondContact O-OG 3.38Å; I81-M128 HydrophobicContact CD1-CE 3.97Å
82	I	97.7	Very high	95.2	Very high	68 Å²	68	43.3 Å²	43.3	35%	0.349	22%	0.217	S	C	.	.	H	α-helix	trans	-62.4	-47.8	173.5	-69.6	163	0	0	0	110.4	I29 V33 S78 V79 V80 S85 I86	I29-I82 HydrophobicContact CG2-CG1 4Å; V33-I82 HydrophobicContact CG2-CD1 4.5Å; V33-I82 HydrophobicContact CG2-CG1 4.03Å; S78-I82 VanDerWaalsContact O-CG1 3.29Å; S78-I82 WeakPolarHBondContact O-CG1 3.29Å; S78-I82 PolarHBondContact O-N 3.08Å; V79-I82 PolarHBondContact O-N 3Å; V80-I82 VanDerWaalsContact C-N 3.32Å; V80-I82 PolarHBondContact O-N 2.95Å; I82-S85 PolarHBondContact O-N 2.91Å; I82-I86 HydrophobicContact CG2-CD1 3.98Å; I82-I86 WeakPolarHBondContact O-CG1 3.4Å; I82-I86 PolarHBondContact O-N 2.92Å
83	I	97.4	Very high	95	Very high	48 Å²	48	38.4 Å²	38.4	25%	0.246	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-51.9	178.4	-67.2	166.9	0	0	0	110.7	V79 V80 S85 I86 F87 I120 M124	V79-I83 HydrophobicContact CG1-CD1 3.96Å; V79-I83 WeakPolarHBondContact O-CG1 3.43Å; V79-I83 PolarHBondContact O-N 3.02Å; V80-I83 PolarHBondContact O-N 3.32Å; I83-S85 PolarHBondContact O-N 2.9Å; I83-I86 WeakPolarHBondContact O-CB 3.37Å; I83-I86 PolarHBondContact O-N 3.28Å; I83-F87 HydrophobicContact CG2-CD2 4.17Å; I83-F87 HydrophobicContact CG2-CE2 4.26Å; I83-F87 WeakPolarHBondContact O-CD2 3.42Å; I83-F87 PolarHBondContact O-N 3.41Å; I83-F87 VanDerWaalsContact O-N 3.11Å; I83-I120 HydrophobicContact CG2-CG2 4.21Å; I83-M124 HydrophobicContact CB-SD 4.14Å; I83-M124 HydrophobicContact CD1-CE 3.75Å; I83-M124 HydrophobicContact CD1-SD 3.77Å; I83-M124 HydrophobicContact CG2-CE 4.25Å; I83-M124 HydrophobicContact CG2-CG 4.11Å; I83-M124 HydrophobicContact CG2-SD 4Å
84	I	96.3	Very high	94.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.5	-38.5	177.6	-62.7	-61.2	0	0	0	111.3	V80 F87 N88 H121 M124 W284	V80-I84 HydrophobicContact CG1-CG1 4.28Å; V80-I84 WeakPolarHBondContact O-CG1 3.39Å; V80-I84 PolarHBondContact O-N 2.88Å; I84-F87 PolarHBondContact O-N 3.36Å; I84-N88 PolarHBondContact O-N 3.22Å; I84-H121 VanDerWaalsContact CD1-CD2 3.5Å; I84-H121 WeakPolarHBondContact CD1-CD2 3.26Å; I84-M124 HydrophobicContact CD1-CB 3.81Å; I84-M124 HydrophobicContact CD1-CG 3.97Å; I84-M124 HydrophobicContact CG1-CB 4.41Å; I84-W284 HydrophobicContact CD1-CD2 4.43Å; I84-W284 HydrophobicContact CD1-CH2 4.29Å; I84-W284 HydrophobicContact CD1-CZ2 4.08Å; I84-W284 HydrophobicContact CG1-CD2 4.41Å; I84-W284 HydrophobicContact CG1-CZ2 4.39Å; I84-W284 HydrophobicContact CG2-CD2 4.46Å; I84-W284 HydrophobicContact CG2-CG 4.27Å
85	S	95.9	Very high	94.6	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-69.9	-32.2	178	-54.4	0	0	0	0	113.2	I81 I82 I83 N88 V89 S287	I81-S85 VanDerWaalsContact O-CB 3.27Å; I81-S85 WeakPolarHBondContact O-CB 3.42Å; I81-S85 PolarHBondContact O-N 3.37Å; I81-S85 PolarHBondContact O-OG 3.38Å; I82-S85 PolarHBondContact O-N 2.91Å; I83-S85 PolarHBondContact O-N 2.9Å; S85-N88 WeakPolarHBondContact O-CB 3.24Å; S85-N88 PolarHBondContact O-N 3.34Å; S85-V89 VanDerWaalsContact O-CG2 3.3Å; S85-V89 WeakPolarHBondContact O-CG2 3.31Å; S85-V89 PolarHBondContact O-N 2.93Å; S85-S287 PolarHBondContact OG-OG 3.39Å
86	I	95.3	Very high	94.1	Very high	86 Å²	86	33 Å²	33	44%	0.441	18%	0.175	S	C	.	.	H	α-helix	trans	-64.6	-43.1	171.5	-68.5	163.2	0	0	0	110.2	I82 I83 N88 V89 E90	I82-I86 HydrophobicContact CG2-CD1 3.98Å; I82-I86 WeakPolarHBondContact O-CG1 3.4Å; I82-I86 PolarHBondContact O-N 2.92Å; I83-I86 WeakPolarHBondContact O-CB 3.37Å; I83-I86 PolarHBondContact O-N 3.28Å; I86-N88 VanDerWaalsContact C-N 3.35Å; I86-N88 PolarHBondContact O-N 3.2Å; I86-V89 CarbonylContact O-C 3.58Å; I86-V89 WeakPolarHBondContact O-CA 3.28Å; I86-V89 WeakPolarHBondContact O-CB 3.43Å; I86-V89 PolarHBondContact O-N 2.98Å; I86-E90 PolarHBondContact O-N 3.26Å
87	F	94.4	Very high	93.5	Very high	20 Å²	20	33 Å²	33	9%	0.088	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-37.3	176.1	-84.8	-92.1	0	0	0	112.8	I83 I84 V89 E90 F91 M116 H117 I120	I83-F87 HydrophobicContact CG2-CD2 4.17Å; I83-F87 HydrophobicContact CG2-CE2 4.26Å; I83-F87 WeakPolarHBondContact O-CD2 3.42Å; I83-F87 PolarHBondContact O-N 3.41Å; I83-F87 VanDerWaalsContact O-N 3.11Å; I84-F87 PolarHBondContact O-N 3.36Å; F87-V89 PolarHBondContact O-N 3.3Å; F87-E90 PolarHBondContact O-N 2.97Å; F87-F91 AromaticContact CD1-CD2 3.86Å; F87-F91 HydrophobicContact CD1-CD2 3.86Å; F87-F91 AromaticContact CD1-CE2 3.53Å; F87-F91 HydrophobicContact CD1-CE2 3.53Å; F87-F91 AromaticContact CE1-CE2 3.74Å; F87-F91 HydrophobicContact CE1-CE2 3.74Å; F87-F91 HydrophobicContact CE1-CZ 4.49Å; F87-F91 WeakPolarHBondContact O-CD2 3.43Å; F87-F91 PolarHBondContact O-N 3.37Å; F87-M116 HydrophobicContact CE1-CE 3.91Å; F87-M116 HydrophobicContact CZ-CE 4.2Å; F87-H117 AromaticContact CD1-CD2 3.75Å; F87-I120 HydrophobicContact CD2-CG2 4.25Å; F87-I120 HydrophobicContact CE1-CD1 3.91Å; F87-I120 HydrophobicContact CE2-CD1 4Å; F87-I120 HydrophobicContact CE2-CG2 3.81Å; F87-I120 HydrophobicContact CZ-CB 4.36Å; F87-I120 HydrophobicContact CZ-CD1 3.28Å; F87-I120 HydrophobicContact CZ-CG1 4.38Å; F87-I120 HydrophobicContact CZ-CG2 4.07Å
88	N	93.6	Very high	92.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58	-33.2	170.6	-79.4	-37.8	0	0	0	112.7	I84 S85 I86 S287 F291	I84-N88 PolarHBondContact O-N 3.22Å; S85-N88 WeakPolarHBondContact O-CB 3.24Å; S85-N88 PolarHBondContact O-N 3.34Å; I86-N88 VanDerWaalsContact C-N 3.35Å; I86-N88 PolarHBondContact O-N 3.2Å; N88-S287 PolarHBondContact ND2-OG 3.46Å; N88-F291 HydrophobicContact CB-CD1 4.15Å; N88-F291 HydrophobicContact CB-CG 4.43Å; N88-F291 VanDerWaalsContact O-CE1 3.24Å; N88-F291 WeakPolarHBondContact O-CE1 3.37Å
89	V	92.1	Very high	91.9	Very high	31 Å²	31	35.2 Å²	35.2	19%	0.188	19%	0.192	C	C	.	.	H	α-helix	trans	-83.2	-27.8	178.7	175.9	0	0	0	0	112.7	I25 S85 I86 F87 Y92 F291	I25-V89 HydrophobicContact CB-CG2 4.5Å; I25-V89 HydrophobicContact CD1-CG1 3.77Å; I25-V89 HydrophobicContact CD1-CG2 4.48Å; I25-V89 HydrophobicContact CG1-CG1 4.32Å; I25-V89 HydrophobicContact CG1-CG2 4.13Å; I25-V89 HydrophobicContact CG2-CG1 4.36Å; I25-V89 HydrophobicContact CG2-CG2 3.63Å; S85-V89 VanDerWaalsContact O-CG2 3.3Å; S85-V89 WeakPolarHBondContact O-CG2 3.31Å; S85-V89 PolarHBondContact O-N 2.93Å; I86-V89 CarbonylContact O-C 3.58Å; I86-V89 WeakPolarHBondContact O-CA 3.28Å; I86-V89 WeakPolarHBondContact O-CB 3.43Å; I86-V89 PolarHBondContact O-N 2.98Å; F87-V89 PolarHBondContact O-N 3.3Å; V89-Y92 WeakPolarHBondContact O-CD1 3.31Å; V89-Y92 WeakPolarHBondContact O-CE1 3.21Å; V89-F291 HydrophobicContact CB-CE2 4.44Å; V89-F291 HydrophobicContact CG2-CD2 3.87Å; V89-F291 HydrophobicContact CG2-CE2 3.64Å; V89-F291 HydrophobicContact CG2-CZ 4.28Å
90	E	91.5	Very high	91	Very high	112 Å²	112	33.2 Å²	33.2	52%	0.523	18%	0.181	S	C	.	.	H	α-helix	trans	-79.8	-36.8	177.4	-175.7	178.4	-175.8	0	0	112.2	I86 F87	I86-E90 PolarHBondContact O-N 3.26Å; F87-E90 PolarHBondContact O-N 2.97Å
91	F	91.2	Very high	90.3	Very high	25 Å²	25	34.2 Å²	34.2	11%	0.11	19%	0.188	C	C	.	.	S	Bend	trans	-102.3	5.1	-169.4	-74	-96.3	0	0	0	115.6	F87 Q113 M116 H117 Y184 F185 N190	F87-F91 AromaticContact CD1-CD2 3.86Å; F87-F91 HydrophobicContact CD1-CD2 3.86Å; F87-F91 AromaticContact CD1-CE2 3.53Å; F87-F91 HydrophobicContact CD1-CE2 3.53Å; F87-F91 AromaticContact CE1-CE2 3.74Å; F87-F91 HydrophobicContact CE1-CE2 3.74Å; F87-F91 HydrophobicContact CE1-CZ 4.49Å; F87-F91 WeakPolarHBondContact O-CD2 3.43Å; F87-F91 PolarHBondContact O-N 3.37Å; F91-Q113 HydrophobicContact CE1-CB 3.91Å; F91-Q113 HydrophobicContact CZ-CB 4.2Å; F91-Q113 WeakPolarHBondContact CZ-O 3.48Å; F91-M116 HydrophobicContact CZ-CE 4.45Å; F91-H117 AromaticContact CD2-CD2 3.62Å; F91-H117 HydrophobicContact CE1-CB 4.25Å; F91-H117 HydrophobicContact CE2-CB 4.46Å; F91-H117 AromaticContact CE2-CD2 3.96Å; F91-H117 AromaticContact CG-CD2 3.7Å; F91-H117 HydrophobicContact CZ-CB 4.12Å; F91-Y184 HydrophobicContact CB-CE1 4.32Å; F91-F185 HydrophobicContact CB-CE1 4.44Å; F91-F185 HydrophobicContact CB-CZ 4.4Å; F91-F185 HydrophobicContact CD1-CE1 4Å; F91-F185 AromaticContact CD1-CZ 3.65Å; F91-F185 HydrophobicContact CD1-CZ 3.65Å; F91-F185 HydrophobicContact CE1-CZ 4.26Å; F91-F185 HydrophobicContact CG-CZ 4.23Å; F91-N190 WeakPolarHBondContact O-CB 3.48Å; F91-N190 PolarHBondContact O-ND2 3.02Å
92	Y	92.4	Very high	89.6	Confident	57 Å²	57	38 Å²	38	22%	0.224	20%	0.203	C	C	.	.			trans	-63.6	149.1	179.4	78.1	-97.1	0	0	0	112.8	V89 V94 L192 F291 I326	V89-Y92 WeakPolarHBondContact O-CD1 3.31Å; V89-Y92 WeakPolarHBondContact O-CE1 3.21Å; Y92-V94 HydrophobicContact CD2-CG2 4.31Å; Y92-V94 HydrophobicContact CE2-CG2 4.18Å; Y92-L192 HydrophobicContact CD2-CD1 3.62Å; Y92-L192 HydrophobicContact CE2-CD1 4.42Å; Y92-L192 HydrophobicContact CG-CD1 3.9Å; Y92-F291 HydrophobicContact CD1-CE1 4.36Å; Y92-F291 AromaticContact CD1-CZ 3.77Å; Y92-F291 HydrophobicContact CD1-CZ 3.77Å; Y92-F291 HydrophobicContact CG-CE1 4.33Å; Y92-F291 HydrophobicContact CG-CZ 4.08Å; Y92-I326 HydrophobicContact CD2-CD1 4.38Å; Y92-I326 HydrophobicContact CE2-CB 4.16Å; Y92-I326 HydrophobicContact CE2-CD1 3.95Å; Y92-I326 HydrophobicContact CE2-CG2 4.24Å
93	A	90.8	Very high	88.9	Confident	22 Å²	22	38.4 Å²	38.4	18%	0.182	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-132.2	133.5	175.3	0	0	0	0	0	110.5	N190 Y191 L192	A93-N190 PolarHBondContact N-O 3.3Å; A93-Y191 CarbonylContact O-C 3.37Å; A93-Y191 VanDerWaalsContact O-CA 3.29Å; A93-Y191 WeakPolarHBondContact O-CA 3.37Å; A93-L192 PolarHBondContact O-N 3.42Å
94	V	89.6	Confident	88.2	Confident	7 Å²	7	38.3 Å²	38.3	4%	0.042	21%	0.211	C	C	.	.	S	Bend	trans	-86.6	-18.2	174.9	178.2	0	0	0	0	111.7	Y92 Y191 F194 P325 I326 Y329	Y92-V94 HydrophobicContact CD2-CG2 4.31Å; Y92-V94 HydrophobicContact CE2-CG2 4.18Å; V94-Y191 WeakPolarHBondContact O-CE2 3.48Å; V94-F194 HydrophobicContact CG1-CE2 4.14Å; V94-P325 HydrophobicContact CB-CB 4.24Å; V94-P325 HydrophobicContact CG2-CB 4.45Å; V94-I326 HydrophobicContact CG2-CB 3.72Å; V94-I326 HydrophobicContact CG2-CD1 4.2Å; V94-I326 HydrophobicContact CG2-CG1 4.22Å; V94-Y329 HydrophobicContact CG1-CD1 3.36Å; V94-Y329 HydrophobicContact CG1-CD2 3.53Å; V94-Y329 HydrophobicContact CG1-CE1 3.54Å; V94-Y329 HydrophobicContact CG1-CE2 3.71Å; V94-Y329 HydrophobicContact CG1-CG 3.36Å
95	V	88.3	Confident	87.6	Confident	54 Å²	54	40.9 Å²	40.9	33%	0.327	23%	0.225	S	C	.	.	S	Bend	trans	-116.9	127	173.9	-179.9	0	0	0	0	108	S556 D557	V95-S556 WeakPolarHBondContact CG1-OG 3.45Å; V95-D557 HydrophobicContact CG1-CB 4.3Å; V95-D557 HydrophobicContact CG2-CB 4.09Å
96	P	85.9	Confident	87.1	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.032	24%	0.24	C	C	.	.			trans	-69.1	134.5	-179.2	28.5	-33.2	0	0	0	110.7	I98 Y191 S556 Y627	P96-I98 HydrophobicContact CB-CG1 4.47Å; P96-I98 HydrophobicContact CG-CD1 4.37Å; P96-I98 PolarHBondContact O-N 3.06Å; P96-Y191 HydrophobicContact CB-CD2 4.19Å; P96-Y191 HydrophobicContact CB-CG 4.1Å; P96-Y191 HydrophobicContact CG-CD2 4.38Å; P96-Y191 HydrophobicContact CG-CE2 4.41Å; P96-S556 WeakPolarHBondContact CD-O 3.39Å; P96-Y627 HydrophobicContact CB-CD1 4.43Å; P96-Y627 HydrophobicContact CB-CD2 4.38Å; P96-Y627 HydrophobicContact CB-CG 4.28Å; P96-Y627 HydrophobicContact CG-CD1 4.43Å; P96-Y627 HydrophobicContact CG-CD2 4.01Å; P96-Y627 HydrophobicContact CG-CG 3.87Å
97	S	82.6	Confident	86.6	Confident	50 Å²	50	42 Å²	42	35%	0.35	24%	0.241	S	C	.	.			trans	-84.6	105.9	176.3	49.7	0	0	0	0	110.1	P99 K108 N188	S97-P99 WeakPolarHBondContact O-CD 3.36Å; S97-K108 WeakPolarHBondContact OG-CE 3.36Å; S97-K108 PolarHBondContact OG-NZ 3.41Å; S97-N188 PolarHBondContact O-ND2 3.48Å; S97-N188 PolarHBondContact O-OD1 3.1Å; S97-N188 PolarHBondContact OG-OD1 3.35Å
98	I	82.6	Confident	86.1	Confident	27 Å²	27	42.3 Å²	42.3	14%	0.138	24%	0.242	C	C	.	.			trans	-100.5	106.1	-173.8	-61.1	171.1	0	0	0	109.2	P96 C100 A549 Q552 A553 Y627	P96-I98 HydrophobicContact CB-CG1 4.47Å; P96-I98 HydrophobicContact CG-CD1 4.37Å; P96-I98 PolarHBondContact O-N 3.06Å; I98-C100 PolarHBondContact O-N 3.14Å; I98-C100 VanDerWaalsContact O-N 3.14Å; I98-A549 HydrophobicContact CG2-CB 4.08Å; I98-A549 VanDerWaalsContact CG2-O 3.27Å; I98-A549 WeakPolarHBondContact CG2-O 3.15Å; I98-Q552 HydrophobicContact CD1-CB 3.78Å; I98-A553 HydrophobicContact CB-CB 4.24Å; I98-A553 HydrophobicContact CG2-CB 4.41Å; I98-Y627 HydrophobicContact CD1-CD2 4.07Å; I98-Y627 HydrophobicContact CD1-CE2 4.15Å; I98-Y627 HydrophobicContact CG1-CE2 4.38Å
99	P	79.8	Confident	85.7	Confident	40 Å²	40	44.3 Å²	44.3	26%	0.26	25%	0.253	S	S	.	.			trans	-69.1	112.9	-179.7	28.2	-33.7	0	0	0	110	S97 S101 A104 L105	S97-P99 WeakPolarHBondContact O-CD 3.36Å; P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 3.45Å; P99-A104 HydrophobicContact CB-CB 4.32Å; P99-L105 HydrophobicContact CB-CB 3.92Å; P99-L105 HydrophobicContact CG-CB 4.18Å; P99-L105 HydrophobicContact CG-CD1 4.2Å
100	C	78.8	Confident	85.5	Confident	37 Å²	37	47.9 Å²	47.9	25%	0.25	27%	0.269	C	S	.	.	S	Bend	trans	-73.6	-17.1	-178.7	-70.1	0	0	0	0	113.7	I98 K545 H546	I98-C100 PolarHBondContact O-N 3.14Å; I98-C100 VanDerWaalsContact O-N 3.14Å; C100-K545 HydrophobicContact CB-CG 4.37Å; C100-K545 CarbonylContact O-C 3.54Å; C100-K545 WeakPolarHBondContact O-CA 3.37Å; C100-H546 PolarHBondContact O-N 2.95Å
101	S	83.1	Confident	85.4	Confident	25 Å²	25	46.2 Å²	46.2	18%	0.175	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-141.8	164.4	175.8	69.1	0	0	0	0	110.7	P99 L103 A104 L105	P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 3.45Å; S101-L103 VanDerWaalsContact C-N 3.33Å; S101-A104 WeakPolarHBondContact O-CB 3.43Å; S101-A104 PolarHBondContact O-N 3.36Å; S101-A104 VanDerWaalsContact O-N 3.16Å; S101-A104 PolarHBondContact OG-N 3Å; S101-L105 PolarHBondContact O-N 3.02Å; S101-L105 VanDerWaalsContact O-N 3.15Å
102	R	81.8	Confident	85.4	Confident	82 Å²	82	49.5 Å²	49.5	31%	0.309	29%	0.286	S	S	.	.	H	α-helix	trans	-67.3	-36.3	178.5	-59.2	172.1	-175.5	-119	10.2	111.7	A104 L105 I106 Y541 F542	R102-A104 VanDerWaalsContact C-N 3.29Å; R102-A104 PolarHBondContact O-N 3.43Å; R102-L105 WeakPolarHBondContact O-CB 3.36Å; R102-L105 PolarHBondContact O-N 3.15Å; R102-I106 WeakPolarHBondContact O-CG1 3.38Å; R102-I106 PolarHBondContact O-N 3.29Å; R102-Y541 PolarHBondContact NH1-OH 3.1Å; R102-Y541 VanDerWaalsContact NH2-CE2 3.33Å; R102-Y541 VanDerWaalsContact NH2-CZ 3.32Å; R102-Y541 PolarHBondContact NH2-OH 3.27Å; R102-F542 HydrophobicContact CB-CD1 4.02Å; R102-F542 PolarHBondContact N-O 2.95Å
103	L	83.6	Confident	85.2	Confident	76 Å²	76	52.2 Å²	52.2	40%	0.398	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-36.6	171.9	-174.1	65.1	0	0	0	112	S101 L105 I106 G107 F542 F543	S101-L103 VanDerWaalsContact C-N 3.33Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L103-I106 PolarHBondContact O-N 2.85Å; L103-G107 PolarHBondContact O-N 2.96Å; L103-F542 PolarHBondContact N-O 3.38Å; L103-F542 VanDerWaalsContact N-O 3.11Å; L103-F543 HydrophobicContact CD2-CD1 4.03Å; L103-F543 HydrophobicContact CD2-CE1 3.44Å; L103-F543 VanDerWaalsContact CD2-CE1 3.44Å; L103-F543 HydrophobicContact CD2-CE2 4.06Å; L103-F543 HydrophobicContact CD2-CZ 3.46Å; L103-F543 VanDerWaalsContact CD2-CZ 3.46Å
104	A	83	Confident	85.2	Confident	45 Å²	45	52.3 Å²	52.3	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-67.4	-32.9	174.5	0	0	0	0	0	112.6	P99 S101 R102 K108	P99-A104 HydrophobicContact CB-CB 4.32Å; S101-A104 WeakPolarHBondContact O-CB 3.43Å; S101-A104 PolarHBondContact O-N 3.36Å; S101-A104 VanDerWaalsContact O-N 3.16Å; S101-A104 PolarHBondContact OG-N 3Å; R102-A104 VanDerWaalsContact C-N 3.29Å; R102-A104 PolarHBondContact O-N 3.43Å; A104-K108 WeakPolarHBondContact O-CB 3.45Å; A104-K108 PolarHBondContact O-N 3.34Å
105	L	84	Confident	85.3	Confident	55 Å²	55	56 Å²	56	29%	0.288	32%	0.316	S	S	.	.	H	α-helix	trans	-67	-44.1	171.5	177.2	62.4	0	0	0	111.8	P99 S101 R102 L103 K108 I109 V186	P99-L105 HydrophobicContact CB-CB 3.92Å; P99-L105 HydrophobicContact CG-CB 4.18Å; P99-L105 HydrophobicContact CG-CD1 4.2Å; S101-L105 PolarHBondContact O-N 3.02Å; S101-L105 VanDerWaalsContact O-N 3.15Å; R102-L105 WeakPolarHBondContact O-CB 3.36Å; R102-L105 PolarHBondContact O-N 3.15Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L105-K108 WeakPolarHBondContact O-CB 3.27Å; L105-K108 PolarHBondContact O-N 3.37Å; L105-I109 HydrophobicContact CD1-CD1 4.2Å; L105-I109 HydrophobicContact CG-CD1 4.15Å; L105-I109 WeakPolarHBondContact O-CG1 3.45Å; L105-I109 PolarHBondContact O-N 3.49Å; L105-I109 VanDerWaalsContact O-N 3.09Å; L105-V186 HydrophobicContact CD1-CG2 4.36Å
106	I	84.6	Confident	85.6	Confident	66 Å²	66	57.4 Å²	57.4	34%	0.338	32%	0.32	S	S	.	.	H	α-helix	trans	-63.9	-46.1	176.4	-66.3	165.9	0	0	0	110.6	R102 L103 K108 I109 I110 F542	R102-I106 WeakPolarHBondContact O-CG1 3.38Å; R102-I106 PolarHBondContact O-N 3.29Å; L103-I106 PolarHBondContact O-N 2.85Å; I106-K108 VanDerWaalsContact C-N 3.27Å; I106-K108 PolarHBondContact O-N 2.92Å; I106-I109 PolarHBondContact O-N 3.46Å; I106-I110 HydrophobicContact CG2-CD1 3.59Å; I106-I110 HydrophobicContact CG2-CG1 4.36Å; I106-I110 WeakPolarHBondContact O-CG1 3.49Å; I106-I110 PolarHBondContact O-N 3.18Å; I106-F542 HydrophobicContact CD1-CD1 3.96Å; I106-F542 HydrophobicContact CD1-CE1 3.95Å
107	G	84.4	Confident	86	Confident	45 Å²	45	57.1 Å²	57.1	46%	0.464	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-29.9	176.1	0	0	0	0	0	113.6	L103 H111	L103-G107 PolarHBondContact O-N 2.96Å; G107-H111 PolarHBondContact O-N 2.98Å
108	K	84	Confident	86.6	Confident	28 Å²	28	55.2 Å²	55.2	12%	0.122	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-56.5	168.9	-175.4	-176.5	-178.4	-174.6	0	109.8	S97 A104 L105 I106 I110 H111 Q114 F185 N188	S97-K108 WeakPolarHBondContact OG-CE 3.36Å; S97-K108 PolarHBondContact OG-NZ 3.41Å; A104-K108 WeakPolarHBondContact O-CB 3.45Å; A104-K108 PolarHBondContact O-N 3.34Å; L105-K108 WeakPolarHBondContact O-CB 3.27Å; L105-K108 PolarHBondContact O-N 3.37Å; I106-K108 VanDerWaalsContact C-N 3.27Å; I106-K108 PolarHBondContact O-N 2.92Å; K108-I110 VanDerWaalsContact C-N 3.32Å; K108-I110 PolarHBondContact O-N 3.28Å; K108-H111 WeakPolarHBondContact O-CB 3.47Å; K108-H111 PolarHBondContact O-N 2.73Å; K108-H111 VanDerWaalsContact O-N 3.07Å; K108-Q114 PolarHBondContact O-NE2 3.01Å; K108-Q114 VanDerWaalsContact O-NE2 3.14Å; K108-Q114 PolarHBondContact O-OE1 2.73Å; K108-F185 WeakPolarHBondContact CE-O 3.04Å; K108-F185 PolarHBondContact NZ-O 2.92Å; K108-N188 PolarHBondContact NZ-OD1 3.32Å
109	I	85.6	Confident	87.3	Confident	42 Å²	42	61.3 Å²	61.3	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-39	-177	-64.6	159.8	0	0	0	112.4	L105 I106 H111 L182 V186	L105-I109 HydrophobicContact CD1-CD1 4.2Å; L105-I109 HydrophobicContact CG-CD1 4.15Å; L105-I109 WeakPolarHBondContact O-CG1 3.45Å; L105-I109 PolarHBondContact O-N 3.49Å; L105-I109 VanDerWaalsContact O-N 3.09Å; I106-I109 PolarHBondContact O-N 3.46Å; I109-H111 VanDerWaalsContact C-N 3.26Å; I109-H111 PolarHBondContact O-N 2.92Å; I109-L182 HydrophobicContact CB-CD1 4.49Å; I109-L182 HydrophobicContact CD1-CD1 3.95Å; I109-L182 HydrophobicContact CG1-CD1 3.97Å; I109-L182 HydrophobicContact CG2-CD1 3.67Å; I109-V186 HydrophobicContact CD1-CG2 4.05Å; I109-V186 HydrophobicContact CG1-CG2 4.37Å
110	I	88.2	Confident	88.1	Confident	105 Å²	105	61.2 Å²	61.2	54%	0.538	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.4	-179.1	-63.3	175.8	0	0	0	112.4	I106 K108 L115	I106-I110 HydrophobicContact CG2-CD1 3.59Å; I106-I110 HydrophobicContact CG2-CG1 4.36Å; I106-I110 WeakPolarHBondContact O-CG1 3.49Å; I106-I110 PolarHBondContact O-N 3.18Å; K108-I110 VanDerWaalsContact C-N 3.32Å; K108-I110 PolarHBondContact O-N 3.28Å; I110-L115 WeakPolarHBondContact O-CD1 3.48Å
111	H	89.6	Confident	89	Confident	78 Å²	78	59.5 Å²	59.5	36%	0.361	32%	0.316	S	S	.	.			trans	-57.5	131.7	179.4	-168.6	-98.1	0	0	0	111.2	G107 K108 I109 Q113 Q114 L115	G107-H111 PolarHBondContact O-N 2.98Å; K108-H111 WeakPolarHBondContact O-CB 3.47Å; K108-H111 PolarHBondContact O-N 2.73Å; K108-H111 VanDerWaalsContact O-N 3.07Å; I109-H111 VanDerWaalsContact C-N 3.26Å; I109-H111 PolarHBondContact O-N 2.92Å; H111-Q113 VanDerWaalsContact C-N 3.27Å; H111-Q113 PolarHBondContact CE1-OE1 3.39Å; H111-Q113 VanDerWaalsContact CE1-OE1 3.26Å; H111-Q113 PolarHBondContact O-N 2.96Å; H111-Q113 VanDerWaalsContact O-N 3.1Å; H111-Q114 HydrophobicContact CB-CB 4.44Å; H111-Q114 HydrophobicContact CB-CG 4.28Å; H111-Q114 WeakPolarHBondContact O-CA 3.27Å; H111-Q114 WeakPolarHBondContact O-CB 3.35Å; H111-Q114 PolarHBondContact O-N 3.35Å; H111-L115 PolarHBondContact O-N 3.49Å
112	P	90.4	Very high	89.7	Confident	94 Å²	94	59.2 Å²	59.2	61%	0.61	32%	0.315	S	S	*	.	H	α-helix	trans	-58.1	-35.4	-168.4	19.5	-32.9	0	0	0	113.8	Q114 L115 M116	P112-Q114 VanDerWaalsContact C-N 3.34Å; P112-Q114 PolarHBondContact O-N 2.95Å; P112-L115 PolarHBondContact O-N 2.87Å; P112-M116 PolarHBondContact O-N 3.09Å
113	Q	89.7	Confident	90.4	Very high	114 Å²	114	56.8 Å²	56.8	53%	0.533	31%	0.313	S	S	.	.	H	α-helix	trans	-66.1	-33.2	174.4	-63.3	175.3	-37.4	0	0	113	F91 H111 H117	F91-Q113 HydrophobicContact CE1-CB 3.91Å; F91-Q113 HydrophobicContact CZ-CB 4.2Å; F91-Q113 WeakPolarHBondContact CZ-O 3.48Å; H111-Q113 VanDerWaalsContact C-N 3.27Å; H111-Q113 PolarHBondContact CE1-OE1 3.39Å; H111-Q113 VanDerWaalsContact CE1-OE1 3.26Å; H111-Q113 PolarHBondContact O-N 2.96Å; H111-Q113 VanDerWaalsContact O-N 3.1Å; Q113-H117 WeakPolarHBondContact O-CB 3.32Å; Q113-H117 PolarHBondContact O-N 3.22Å
114	Q	90.1	Very high	91.1	Very high	24 Å²	24	54.7 Å²	54.7	11%	0.112	30%	0.301	C	S	.	.	H	α-helix	trans	-78.3	-31.1	177.2	-64.2	-177.5	37.3	0	0	111.6	K108 H111 P112 S118 F185	K108-Q114 PolarHBondContact O-NE2 3.01Å; K108-Q114 VanDerWaalsContact O-NE2 3.14Å; K108-Q114 PolarHBondContact O-OE1 2.73Å; H111-Q114 HydrophobicContact CB-CB 4.44Å; H111-Q114 HydrophobicContact CB-CG 4.28Å; H111-Q114 WeakPolarHBondContact O-CA 3.27Å; H111-Q114 WeakPolarHBondContact O-CB 3.35Å; H111-Q114 PolarHBondContact O-N 3.35Å; P112-Q114 VanDerWaalsContact C-N 3.34Å; P112-Q114 PolarHBondContact O-N 2.95Å; Q114-S118 WeakPolarHBondContact O-CB 3.44Å; Q114-S118 PolarHBondContact O-N 2.86Å; Q114-S118 PolarHBondContact O-OG 3.1Å; Q114-F185 HydrophobicContact CB-CD2 4.11Å; Q114-F185 HydrophobicContact CB-CE2 3.96Å; Q114-F185 HydrophobicContact CB-CZ 4.46Å; Q114-F185 HydrophobicContact CG-CD1 4.19Å; Q114-F185 HydrophobicContact CG-CD2 3.95Å; Q114-F185 HydrophobicContact CG-CE1 4.05Å; Q114-F185 HydrophobicContact CG-CE2 3.79Å; Q114-F185 HydrophobicContact CG-CG 4.15Å; Q114-F185 HydrophobicContact CG-CZ 3.86Å
115	L	92.3	Very high	91.8	Very high	85 Å²	85	52.5 Å²	52.5	45%	0.445	28%	0.283	S	S	.	.	H	α-helix	trans	-64.4	-43.6	168.1	-63.9	179.7	0	0	0	111.1	I110 H111 P112 S118 F119	I110-L115 WeakPolarHBondContact O-CD1 3.48Å; H111-L115 PolarHBondContact O-N 3.49Å; P112-L115 PolarHBondContact O-N 2.87Å; L115-S118 PolarHBondContact O-N 3.18Å; L115-F119 WeakPolarHBondContact O-CB 3.43Å; L115-F119 PolarHBondContact O-N 3.38Å
116	M	93.6	Very high	92.5	Very high	82 Å²	82	53.8 Å²	53.8	40%	0.404	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-47.9	173.9	-170	-173.2	84.1	0	0	111.8	F87 F91 P112 S118 F119 I120	F87-M116 HydrophobicContact CE1-CE 3.91Å; F87-M116 HydrophobicContact CZ-CE 4.2Å; F91-M116 HydrophobicContact CZ-CE 4.45Å; P112-M116 PolarHBondContact O-N 3.09Å; M116-S118 VanDerWaalsContact C-N 3.29Å; M116-S118 PolarHBondContact O-N 3.24Å; M116-F119 PolarHBondContact O-N 2.78Å; M116-I120 HydrophobicContact CG-CD1 3.93Å; M116-I120 WeakPolarHBondContact O-CG1 3.32Å; M116-I120 PolarHBondContact O-N 2.9Å
117	H	94.7	Very high	93.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-55.1	-44.8	173.6	-175.5	-77.6	0	0	0	111.3	F87 F91 Q113 I120 H121 S181 Y184 F185	F87-H117 AromaticContact CD1-CD2 3.75Å; F91-H117 AromaticContact CD2-CD2 3.62Å; F91-H117 HydrophobicContact CE1-CB 4.25Å; F91-H117 HydrophobicContact CE2-CB 4.46Å; F91-H117 AromaticContact CE2-CD2 3.96Å; F91-H117 AromaticContact CG-CD2 3.7Å; F91-H117 HydrophobicContact CZ-CB 4.12Å; Q113-H117 WeakPolarHBondContact O-CB 3.32Å; Q113-H117 PolarHBondContact O-N 3.22Å; H117-I120 PolarHBondContact O-N 2.95Å; H117-H121 AromaticContact CD2-CE1 3.72Å; H117-H121 AromaticContact CE1-CE1 3.11Å; H117-H121 PolarHBondContact CE1-CE1 2.91Å; H117-H121 AromaticContact CE1-ND1 3.44Å; H117-H121 PolarHBondContact CE1-ND1 3.42Å; H117-H121 AromaticContact CE1-NE2 3.59Å; H117-H121 AromaticContact CG-CE1 3.85Å; H117-H121 AromaticContact CG-ND1 3.79Å; H117-H121 AromaticContact ND1-CE1 3.49Å; H117-H121 PolarHBondContact ND1-CE1 2.89Å; H117-H121 AromaticContact ND1-ND1 3.34Å; H117-H121 PolarHBondContact ND1-ND1 3.41Å; H117-H121 AromaticContact NE2-CE1 3.25Å; H117-H121 PolarHBondContact NE2-CE1 3.15Å; H117-H121 VanDerWaalsContact NE2-CE1 3.25Å; H117-H121 AromaticContact NE2-ND1 3.92Å; H117-H121 AromaticContact NE2-NE2 3.88Å; H117-H121 WeakPolarHBondContact O-CB 3.44Å; H117-H121 PolarHBondContact O-N 3Å; H117-H121 PolarHBondContact O-ND1 3.06Å; H117-S181 PolarHBondContact ND1-OG 3.44Å; H117-Y184 AromaticContact CE1-CD1 3.88Å; H117-Y184 AromaticContact NE2-CD1 3.95Å; H117-Y184 AromaticContact NE2-CE1 3.85Å; H117-F185 HydrophobicContact CB-CE2 3.97Å; H117-F185 HydrophobicContact CB-CZ 4.19Å; H117-F185 AromaticContact CD2-CZ 3.77Å; H117-F185 AromaticContact CE1-CE2 3.89Å; H117-F185 AromaticContact CG-CE2 3.64Å; H117-F185 AromaticContact CG-CZ 3.78Å; H117-F185 AromaticContact ND1-CE2 3.51Å; H117-F185 AromaticContact ND1-CZ 3.99Å
118	S	95.5	Very high	93.7	Very high	10 Å²	10	50.2 Å²	50.2	7%	0.07	26%	0.261	C	S	.	.	H	α-helix	trans	-68.4	-39.6	-179.3	-55.6	0	0	0	0	113.5	Q114 L115 M116 A122 S181	Q114-S118 WeakPolarHBondContact O-CB 3.44Å; Q114-S118 PolarHBondContact O-N 2.86Å; Q114-S118 PolarHBondContact O-OG 3.1Å; L115-S118 PolarHBondContact O-N 3.18Å; M116-S118 VanDerWaalsContact C-N 3.29Å; M116-S118 PolarHBondContact O-N 3.24Å; S118-A122 WeakPolarHBondContact O-CB 3.36Å; S118-A122 PolarHBondContact O-N 3.35Å; S118-S181 WeakPolarHBondContact CA-OG 3.35Å; S118-S181 WeakPolarHBondContact CB-OG 3.26Å; S118-S181 PolarHBondContact N-OG 3.15Å; S118-S181 PolarHBondContact OG-OG 3.25Å
119	F	96.1	Very high	94.3	Very high	154 Å²	154	48.9 Å²	48.9	68%	0.675	26%	0.255	S	S	*	.	H	α-helix	trans	-63.7	-45.3	174.9	178.4	-100.1	0	0	0	111.5	L115 M116 A122 A123	L115-F119 WeakPolarHBondContact O-CB 3.43Å; L115-F119 PolarHBondContact O-N 3.38Å; M116-F119 PolarHBondContact O-N 2.78Å; F119-A122 PolarHBondContact O-N 3.16Å; F119-A123 PolarHBondContact O-N 3.46Å
120	I	96.8	Very high	94.8	Very high	39 Å²	39	52.2 Å²	52.2	20%	0.2	27%	0.265	C	S	.	.	H	α-helix	trans	-68	-41.5	-179.6	-67.7	171.2	0	0	0	110.9	I83 F87 M116 H117 A122 A123 M124	I83-I120 HydrophobicContact CG2-CG2 4.21Å; F87-I120 HydrophobicContact CD2-CG2 4.25Å; F87-I120 HydrophobicContact CE1-CD1 3.91Å; F87-I120 HydrophobicContact CE2-CD1 4Å; F87-I120 HydrophobicContact CE2-CG2 3.81Å; F87-I120 HydrophobicContact CZ-CB 4.36Å; F87-I120 HydrophobicContact CZ-CD1 3.28Å; F87-I120 HydrophobicContact CZ-CG1 4.38Å; F87-I120 HydrophobicContact CZ-CG2 4.07Å; M116-I120 HydrophobicContact CG-CD1 3.93Å; M116-I120 WeakPolarHBondContact O-CG1 3.32Å; M116-I120 PolarHBondContact O-N 2.9Å; H117-I120 PolarHBondContact O-N 2.95Å; I120-A122 PolarHBondContact O-N 3.39Å; I120-A123 PolarHBondContact O-N 3.11Å; I120-M124 HydrophobicContact CG2-CG 4.3Å; I120-M124 WeakPolarHBondContact O-CB 3.18Å; I120-M124 VanDerWaalsContact O-CG 3.26Å; I120-M124 WeakPolarHBondContact O-CG 3.45Å; I120-M124 PolarHBondContact O-N 3.11Å
121	H	97.3	Very high	95.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-36.6	174	-75.4	71.1	0	0	0	112.2	I84 H117 M124 G125 G177 Y180 W284	I84-H121 VanDerWaalsContact CD1-CD2 3.5Å; I84-H121 WeakPolarHBondContact CD1-CD2 3.26Å; H117-H121 AromaticContact CD2-CE1 3.72Å; H117-H121 AromaticContact CE1-CE1 3.11Å; H117-H121 PolarHBondContact CE1-CE1 2.91Å; H117-H121 AromaticContact CE1-ND1 3.44Å; H117-H121 PolarHBondContact CE1-ND1 3.42Å; H117-H121 AromaticContact CE1-NE2 3.59Å; H117-H121 AromaticContact CG-CE1 3.85Å; H117-H121 AromaticContact CG-ND1 3.79Å; H117-H121 AromaticContact ND1-CE1 3.49Å; H117-H121 PolarHBondContact ND1-CE1 2.89Å; H117-H121 AromaticContact ND1-ND1 3.34Å; H117-H121 PolarHBondContact ND1-ND1 3.41Å; H117-H121 AromaticContact NE2-CE1 3.25Å; H117-H121 PolarHBondContact NE2-CE1 3.15Å; H117-H121 VanDerWaalsContact NE2-CE1 3.25Å; H117-H121 AromaticContact NE2-ND1 3.92Å; H117-H121 AromaticContact NE2-NE2 3.88Å; H117-H121 WeakPolarHBondContact O-CB 3.44Å; H117-H121 PolarHBondContact O-N 3Å; H117-H121 PolarHBondContact O-ND1 3.06Å; H121-M124 PolarHBondContact O-N 3.23Å; H121-G125 PolarHBondContact O-N 2.76Å; H121-G177 WeakPolarHBondContact CB-O 3.42Å; H121-G177 WeakPolarHBondContact O-CA 3.43Å; H121-Y180 AromaticContact CD2-CD1 3.6Å; H121-Y180 AromaticContact CD2-CE1 3.7Å; H121-Y180 AromaticContact NE2-CE1 3.82Å; H121-W284 HydrophobicContact CB-CH2 4.35Å; H121-W284 HydrophobicContact CB-CZ3 4.24Å; H121-W284 AromaticContact CD2-CZ3 3.73Å; H121-W284 WeakPolarHBondContact O-CH2 3.43Å
122	A	98	Very high	95.3	Very high	19 Å²	19	43.5 Å²	43.5	16%	0.157	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-46.2	172.4	0	0	0	0	0	111.8	S118 F119 I120 G125 M126 A174	S118-A122 WeakPolarHBondContact O-CB 3.36Å; S118-A122 PolarHBondContact O-N 3.35Å; F119-A122 PolarHBondContact O-N 3.16Å; I120-A122 PolarHBondContact O-N 3.39Å; A122-G125 PolarHBondContact O-N 3.34Å; A122-M126 PolarHBondContact O-N 2.96Å; A122-A174 WeakPolarHBondContact O-CA 3.47Å
123	A	98	Very high	95.5	Very high	32 Å²	32	39 Å²	39	26%	0.264	19%	0.193	S	C	.	.	H	α-helix	trans	-61.8	-45.3	176.4	0	0	0	0	0	112.4	F119 I120 G125 M126 V127	F119-A123 PolarHBondContact O-N 3.46Å; I120-A123 PolarHBondContact O-N 3.11Å; A123-G125 VanDerWaalsContact C-N 3.35Å; A123-G125 PolarHBondContact O-N 3.11Å; A123-M126 WeakPolarHBondContact O-CB 3.33Å; A123-M126 PolarHBondContact O-N 3.44Å; A123-V127 WeakPolarHBondContact O-CG2 3.24Å; A123-V127 PolarHBondContact O-N 3.47Å
124	M	98.1	Very high	95.6	Very high	31 Å²	31	34.5 Å²	34.5	15%	0.153	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-36.8	176.5	-69.9	-56.8	124.5	0	0	112.6	V80 I83 I84 I120 H121 V127 M128 W284	V80-M124 HydrophobicContact CB-SD 4.31Å; V80-M124 HydrophobicContact CG1-CB 3.97Å; V80-M124 HydrophobicContact CG1-CG 4.39Å; V80-M124 HydrophobicContact CG1-SD 4.08Å; V80-M124 HydrophobicContact CG2-SD 4.03Å; I83-M124 HydrophobicContact CB-SD 4.14Å; I83-M124 HydrophobicContact CD1-CE 3.75Å; I83-M124 HydrophobicContact CD1-SD 3.77Å; I83-M124 HydrophobicContact CG2-CE 4.25Å; I83-M124 HydrophobicContact CG2-CG 4.11Å; I83-M124 HydrophobicContact CG2-SD 4Å; I84-M124 HydrophobicContact CD1-CB 3.81Å; I84-M124 HydrophobicContact CD1-CG 3.97Å; I84-M124 HydrophobicContact CG1-CB 4.41Å; I120-M124 HydrophobicContact CG2-CG 4.3Å; I120-M124 WeakPolarHBondContact O-CB 3.18Å; I120-M124 VanDerWaalsContact O-CG 3.26Å; I120-M124 WeakPolarHBondContact O-CG 3.45Å; I120-M124 PolarHBondContact O-N 3.11Å; H121-M124 PolarHBondContact O-N 3.23Å; M124-V127 PolarHBondContact O-N 3.36Å; M124-M128 WeakPolarHBondContact O-CB 3.34Å; M124-M128 PolarHBondContact O-N 3.28Å; M124-W284 HydrophobicContact CB-CZ2 4.25Å
125	G	97.9	Very high	95.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.8	-37.9	174.5	0	0	0	0	0	112.7	H121 A122 A123 M128 A129 G173	H121-G125 PolarHBondContact O-N 2.76Å; A122-G125 PolarHBondContact O-N 3.34Å; A123-G125 VanDerWaalsContact C-N 3.35Å; A123-G125 PolarHBondContact O-N 3.11Å; G125-M128 PolarHBondContact O-N 3.47Å; G125-A129 WeakPolarHBondContact O-CB 3.48Å; G125-A129 PolarHBondContact O-N 3.19Å; G125-G173 VanDerWaalsContact C-C 3.43Å; G125-G173 CarbonylContact C-O 3.56Å; G125-G173 WeakPolarHBondContact CA-O 3.42Å; G125-G173 CarbonylContact O-C 3.59Å; G125-G173 WeakPolarHBondContact O-CA 3.26Å
126	M	97.6	Very high	95.4	Very high	82 Å²	82	30.2 Å²	30.2	40%	0.404	15%	0.152	S	C	.	.	H	α-helix	trans	-64.3	-45.7	172.8	-174.8	176	65.2	0	0	111.9	A122 A123 M128 A129 W130 L170 A174	A122-M126 PolarHBondContact O-N 2.96Å; A123-M126 WeakPolarHBondContact O-CB 3.33Å; A123-M126 PolarHBondContact O-N 3.44Å; M126-M128 VanDerWaalsContact C-N 3.33Å; M126-M128 PolarHBondContact O-N 2.94Å; M126-A129 PolarHBondContact O-N 3.48Å; M126-W130 WeakPolarHBondContact O-CB 3.5Å; M126-W130 PolarHBondContact O-N 3.29Å; M126-L170 HydrophobicContact CG-CB 4.15Å; M126-L170 HydrophobicContact CG-CD2 4.25Å; M126-A174 HydrophobicContact CB-CB 4.19Å
127	V	97.6	Very high	94.8	Very high	36 Å²	36	30 Å²	30	22%	0.218	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-41.4	175.2	173.7	0	0	0	0	111.1	L76 V80 A123 M124 W130 C131	L76-V127 HydrophobicContact CD1-CG1 4.3Å; L76-V127 HydrophobicContact CD2-CG1 4.26Å; L76-V127 HydrophobicContact CG-CG1 4.16Å; V80-V127 HydrophobicContact CG2-CB 4.31Å; V80-V127 HydrophobicContact CG2-CG1 3.77Å; A123-V127 WeakPolarHBondContact O-CG2 3.24Å; A123-V127 PolarHBondContact O-N 3.47Å; M124-V127 PolarHBondContact O-N 3.36Å; V127-W130 WeakPolarHBondContact O-CB 3.46Å; V127-W130 PolarHBondContact O-N 3.08Å; V127-C131 PolarHBondContact O-N 3.32Å; V127-C131 PolarHBondContact O-SG 2.97Å
128	M	96.8	Very high	94.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.8	-40.6	177.6	-175.6	164.5	-81	0	0	112.5	L77 V80 I81 M124 G125 M126 C131 A132 F279 L280 W284	L77-M128 HydrophobicContact CD2-CB 4.24Å; L77-M128 HydrophobicContact CD2-CE 3.84Å; L77-M128 HydrophobicContact CD2-CG 3.8Å; V80-M128 HydrophobicContact CG1-CE 3.89Å; I81-M128 HydrophobicContact CD1-CE 3.97Å; M124-M128 WeakPolarHBondContact O-CB 3.34Å; M124-M128 PolarHBondContact O-N 3.28Å; G125-M128 PolarHBondContact O-N 3.47Å; M126-M128 VanDerWaalsContact C-N 3.33Å; M126-M128 PolarHBondContact O-N 2.94Å; M128-C131 PolarHBondContact O-N 3.23Å; M128-A132 WeakPolarHBondContact O-CB 3.46Å; M128-A132 PolarHBondContact O-N 3.28Å; M128-F279 HydrophobicContact CG-CD1 4.34Å; M128-F279 HydrophobicContact CG-CE1 4.06Å; M128-F279 HydrophobicContact SD-CE1 4.37Å; M128-L280 HydrophobicContact CG-CB 4.41Å; M128-L280 HydrophobicContact CG-CG 4.49Å; M128-L280 VanDerWaalsContact SD-CA 3.53Å; M128-L280 HydrophobicContact SD-CB 3.76Å; M128-L280 HydrophobicContact SD-CD1 4.4Å; M128-L280 HydrophobicContact SD-CG 3.73Å; M128-W284 PolarHBondContact SD-NE1 3.47Å; M128-W284 VanDerWaalsContact SD-NE1 3.4Å
129	A	96.5	Very high	93.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.4	-33.4	174.3	0	0	0	0	0	112.8	G125 M126 A132 A133 F169	G125-A129 WeakPolarHBondContact O-CB 3.48Å; G125-A129 PolarHBondContact O-N 3.19Å; M126-A129 PolarHBondContact O-N 3.48Å; A129-A132 PolarHBondContact O-N 2.78Å; A129-A133 VanDerWaalsContact O-CB 3.28Å; A129-A133 WeakPolarHBondContact O-CB 3.43Å; A129-A133 PolarHBondContact O-N 3.26Å; A129-F169 WeakPolarHBondContact CB-O 3.27Å
130	W	95.9	Very high	92.9	Very high	111 Å²	111	30.6 Å²	30.6	42%	0.42	17%	0.169	S	C	.	.	H	α-helix	trans	-61.2	-51.7	171.4	179.5	31.3	0	0	0	111.4	L76 M126 V127 A132 A133 V134 H166 L170	L76-W130 HydrophobicContact CD2-CZ3 4.42Å; M126-W130 WeakPolarHBondContact O-CB 3.5Å; M126-W130 PolarHBondContact O-N 3.29Å; V127-W130 WeakPolarHBondContact O-CB 3.46Å; V127-W130 PolarHBondContact O-N 3.08Å; W130-A132 VanDerWaalsContact C-N 3.32Å; W130-A132 PolarHBondContact O-N 3.41Å; W130-A133 PolarHBondContact O-N 3.45Å; W130-V134 WeakPolarHBondContact O-CG2 3.08Å; W130-V134 PolarHBondContact O-N 2.98Å; W130-V134 VanDerWaalsContact O-N 3.09Å; W130-H166 AromaticContact CD1-CE1 3.73Å; W130-H166 AromaticContact CD1-NE2 3.84Å; W130-L170 HydrophobicContact CB-CD2 3.57Å; W130-L170 HydrophobicContact CG-CD2 4.14Å
131	C	95.1	Very high	92.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-55.8	-47	174.8	-64.8	0	0	0	0	111.4	Y73 L77 V127 M128 V134 I135	Y73-C131 HydrophobicContact CD1-CB 4.13Å; L77-C131 HydrophobicContact CD1-CB 4.11Å; L77-C131 HydrophobicContact CD2-CB 3.87Å; L77-C131 HydrophobicContact CG-CB 3.95Å; V127-C131 PolarHBondContact O-N 3.32Å; V127-C131 PolarHBondContact O-SG 2.97Å; M128-C131 PolarHBondContact O-N 3.23Å; C131-V134 PolarHBondContact O-N 2.83Å; C131-I135 WeakPolarHBondContact O-CB 3.29Å; C131-I135 WeakPolarHBondContact O-CD1 3.43Å; C131-I135 WeakPolarHBondContact O-CG1 3.18Å; C131-I135 PolarHBondContact O-N 3.2Å
132	A	93.9	Very high	91.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-47.7	179.2	0	0	0	0	0	112.1	F43 M128 A129 W130 V134 I135 T136 C276	F43-A132 HydrophobicContact CE1-CB 4.11Å; F43-A132 HydrophobicContact CE2-CB 4.44Å; F43-A132 HydrophobicContact CZ-CB 3.73Å; M128-A132 WeakPolarHBondContact O-CB 3.46Å; M128-A132 PolarHBondContact O-N 3.28Å; A129-A132 PolarHBondContact O-N 2.78Å; W130-A132 VanDerWaalsContact C-N 3.32Å; W130-A132 PolarHBondContact O-N 3.41Å; A132-V134 PolarHBondContact O-N 3.37Å; A132-I135 PolarHBondContact O-N 3.1Å; A132-T136 PolarHBondContact O-N 3.48Å; A132-T136 PolarHBondContact O-OG1 3.48Å; A132-C276 HydrophobicContact CB-CB 4.3Å; A132-C276 VanDerWaalsContact CB-SG 3.57Å
133	A	93.3	Very high	91.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-38.7	-179.8	0	0	0	0	0	113	A129 W130 Q137 Y140 F169	A129-A133 VanDerWaalsContact O-CB 3.28Å; A129-A133 WeakPolarHBondContact O-CB 3.43Å; A129-A133 PolarHBondContact O-N 3.26Å; W130-A133 PolarHBondContact O-N 3.45Å; A133-Q137 PolarHBondContact O-N 3.22Å; A133-Y140 WeakPolarHBondContact CB-O 3.32Å; A133-F169 HydrophobicContact CB-CB 4.21Å; A133-F169 HydrophobicContact CB-CD1 3.8Å; A133-F169 HydrophobicContact CB-CE1 4.33Å; A133-F169 HydrophobicContact CB-CG 4.04Å
134	V	91.7	Very high	90.9	Very high	20 Å²	20	38.6 Å²	38.6	12%	0.121	20%	0.202	C	C	.	.	H	α-helix	trans	-70.6	-40.4	174.5	-176.9	0	0	0	0	111.5	Y73 W130 C131 A132 T136 Q137	Y73-V134 HydrophobicContact CE2-CB 4.1Å; Y73-V134 HydrophobicContact CE2-CG1 3.57Å; W130-V134 WeakPolarHBondContact O-CG2 3.08Å; W130-V134 PolarHBondContact O-N 2.98Å; W130-V134 VanDerWaalsContact O-N 3.09Å; C131-V134 PolarHBondContact O-N 2.83Å; A132-V134 PolarHBondContact O-N 3.37Å; V134-T136 VanDerWaalsContact C-N 3.33Å; V134-T136 PolarHBondContact O-N 2.88Å; V134-Q137 PolarHBondContact O-N 2.86Å
135	I	90.6	Very high	90.3	Very high	3 Å²	3	40 Å²	40	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-37	177.5	-71.8	166	0	0	0	111.9	F43 I44 Y73 L77 C131 A132 Q137	F43-I135 HydrophobicContact CD1-CG2 4.22Å; F43-I135 HydrophobicContact CE1-CB 4.32Å; F43-I135 HydrophobicContact CE1-CG2 3.93Å; I44-I135 HydrophobicContact CD1-CG2 3.8Å; I44-I135 HydrophobicContact CG1-CG2 3.4Å; Y73-I135 HydrophobicContact CD2-CG1 4.26Å; Y73-I135 HydrophobicContact CG-CG1 4.47Å; L77-I135 HydrophobicContact CD1-CD1 4.38Å; C131-I135 WeakPolarHBondContact O-CB 3.29Å; C131-I135 WeakPolarHBondContact O-CD1 3.43Å; C131-I135 WeakPolarHBondContact O-CG1 3.18Å; C131-I135 PolarHBondContact O-N 3.2Å; A132-I135 PolarHBondContact O-N 3.1Å; I135-Q137 PolarHBondContact O-N 3.49Å
136	T	87.6	Confident	89.7	Confident	15 Å²	15	44.5 Å²	44.5	9%	0.092	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-22.5	173.5	-59.5	0	0	0	0	112.7	A132 V134 Y140 H272	A132-T136 PolarHBondContact O-N 3.48Å; A132-T136 PolarHBondContact O-OG1 3.48Å; V134-T136 VanDerWaalsContact C-N 3.33Å; V134-T136 PolarHBondContact O-N 2.88Å; T136-Y140 HydrophobicContact CG2-CD2 3.86Å; T136-Y140 HydrophobicContact CG2-CE2 4.32Å; T136-H272 VanDerWaalsContact CG2-CD2 3.42Å; T136-H272 WeakPolarHBondContact CG2-CD2 3.32Å
137	Q	82.2	Confident	88.8	Confident	78 Å²	78	41.2 Å²	41.2	36%	0.364	23%	0.226	S	C	.	.			trans	58.4	-170.1	-176.5	-57.3	-174.3	0.2	0	0	113.7	R48 D64 Y69 A133 V134 I135	R48-Q137 VanDerWaalsContact NH2-CD 3.3Å; R48-Q137 VanDerWaalsContact NH2-NE2 3.15Å; D64-Q137 PolarHBondContact OD1-NE2 3.45Å; Y69-Q137 PolarHBondContact OH-NE2 2.83Å; A133-Q137 PolarHBondContact O-N 3.22Å; V134-Q137 PolarHBondContact O-N 2.86Å; I135-Q137 PolarHBondContact O-N 3.49Å
138	G	81	Confident	87.5	Confident	55 Å²	55	43.1 Å²	43.1	57%	0.567	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	68.3	-139.1	177.2	0	0	0	0	0	114.1	Y140 S141	G138-Y140 PolarHBondContact O-N 3Å; G138-S141 WeakPolarHBondContact O-CB 3.4Å; G138-S141 PolarHBondContact O-N 3.38Å; G138-S141 PolarHBondContact O-OG 2.85Å
139	Q	81.5	Confident	85.8	Confident	113 Å²	113	45.6 Å²	45.6	53%	0.528	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-62.2	-13.7	-173.6	-67	178.2	-13	0	0	114.3	N163	Q139-N163 PolarHBondContact O-ND2 3.26Å
140	Y	84.5	Confident	83.8	Confident	9 Å²	9	47.6 Å²	47.6	4%	0.035	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-100.2	1.7	-177.4	-45.8	-61.9	0	0	0	113.6	A133 T136 G138 Y165 H166 F169 S268 L269 H272	A133-Y140 WeakPolarHBondContact CB-O 3.32Å; T136-Y140 HydrophobicContact CG2-CD2 3.86Å; T136-Y140 HydrophobicContact CG2-CE2 4.32Å; G138-Y140 PolarHBondContact O-N 3Å; Y140-Y165 HydrophobicContact CE1-CD1 4.11Å; Y140-Y165 HydrophobicContact CE1-CG 4.41Å; Y140-H166 PolarHBondContact O-ND1 3.37Å; Y140-F169 AromaticContact CD1-CD2 3.94Å; Y140-F169 HydrophobicContact CD1-CD2 3.94Å; Y140-F169 AromaticContact CD1-CE2 3.45Å; Y140-F169 HydrophobicContact CD1-CE2 3.45Å; Y140-F169 VanDerWaalsContact CD1-CE2 3.45Å; Y140-F169 HydrophobicContact CD1-CZ 4.35Å; Y140-F169 HydrophobicContact CD2-CE2 4.38Å; Y140-F169 AromaticContact CE1-CE2 3.83Å; Y140-F169 HydrophobicContact CE1-CE2 3.83Å; Y140-F169 HydrophobicContact CG-CD2 4.36Å; Y140-F169 AromaticContact CG-CE2 3.76Å; Y140-F169 HydrophobicContact CG-CE2 3.76Å; Y140-F169 HydrophobicContact CG-CZ 4.26Å; Y140-S268 PolarHBondContact OH-OG 3.43Å; Y140-L269 HydrophobicContact CE1-CD1 4.03Å; Y140-H272 HydrophobicContact CE2-CB 4.37Å; Y140-H272 AromaticContact CE2-ND1 3.83Å
141	S	83.6	Confident	81.5	Confident	26 Å²	26	49.2 Å²	49.2	18%	0.182	29%	0.293	C	S	.	.	S	Bend	trans	-72	-46.6	-168.2	50	0	0	0	0	115.2	G138 H166	G138-S141 WeakPolarHBondContact O-CB 3.4Å; G138-S141 PolarHBondContact O-N 3.38Å; G138-S141 PolarHBondContact O-OG 2.85Å; S141-H166 PolarHBondContact O-CE1 3.26Å; S141-H166 PolarHBondContact O-ND1 3.43Å
142	F	88	Confident	79.3	Confident	140 Å²	140	53.3 Å²	53.3	61%	0.614	32%	0.321	S	S	*	.			trans	-126.1	143.2	-172.6	-59.4	-76.5	0	0	0	112.9	V144 N163	F142-V144 VanDerWaalsContact C-N 3.33Å; F142-N163 WeakPolarHBondContact O-CB 3.36Å; F142-N163 PolarHBondContact O-ND2 3.04Å
143	L	87.1	Confident	77.2	Confident	41 Å²	41	63.8 Å²	63.8	22%	0.215	37%	0.367	C	S	.	.	S	Bend	trans	-69.1	-29.2	174.2	-175.9	65.6	0	0	0	113	L162 N163 L167 M246	L143-L162 HydrophobicContact CD1-CD1 3.64Å; L143-L162 HydrophobicContact CG-CD1 4.01Å; L143-N163 WeakPolarHBondContact O-CB 3.15Å; L143-N163 PolarHBondContact O-N 2.84Å; L143-L167 HydrophobicContact CD1-CB 4.07Å; L143-M246 HydrophobicContact CD2-SD 4.36Å
144	V	87.9	Confident	75.4	Confident	51 Å²	51	67.7 Å²	67.7	31%	0.309	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.8	-178.2	-177.6	0	0	0	0	109	F142 T160 M246 L248	F142-V144 VanDerWaalsContact C-N 3.33Å; V144-T160 HydrophobicContact CG1-CG2 3.85Å; V144-M246 HydrophobicContact CG2-CE 4.04Å; V144-L248 HydrophobicContact CG1-CD2 3.79Å; V144-L248 HydrophobicContact CG2-CD1 3.85Å; V144-L248 HydrophobicContact CG2-CD2 3.99Å
145	V	85.9	Confident	73.5	Confident	59 Å²	59	70.1 Å²	70.1	36%	0.358	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.7	-176.3	176.1	0	0	0	0	108	C147 C161 N163	V145-C147 PolarHBondContact O-N 2.96Å; V145-C161 PolarHBondContact N-O 2.72Å; V145-C161 PolarHBondContact O-N 2.72Å; V145-N163 HydrophobicContact CG2-CB 3.99Å
146	P	84.7	Confident	71.9	Confident	95 Å²	95	75.8 Å²	75.8	62%	0.617	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	135.3	174.3	24.6	-35.1	0	0	0	111.6
147	C	80.3	Confident	70.4	Confident	13 Å²	13	79.1 Å²	79.1	9%	0.088	49%	0.491	C	S	.	.			trans	-66.7	134.4	176.1	-56.5	0	0	0	0	110.6	V145 G149 T150 Q159 C161	V145-C147 PolarHBondContact O-N 2.96Å; C147-G149 VanDerWaalsContact C-N 3.33Å; C147-G149 PolarHBondContact O-N 3.49Å; C147-T150 PolarHBondContact O-OG1 3.27Å; C147-Q159 HydrophobicContact CB-CB 4.02Å; C147-Q159 PolarHBondContact N-O 3.03Å; C147-Q159 PolarHBondContact SG-O 3.02Å; C147-C161 HydrophobicContact CB-CB 4.11Å; C147-C161 WeakPolarHBondContact CB-SG 3.5Å; C147-C161 WeakPolarHBondContact SG-CB 3.41Å; C147-C161 PolarHBondContact SG-N 2.91Å; C147-C161 CovalentContact SG-SG 2.04Å; C147-C161 PolarHBondContact SG-SG 3.17Å
148	T	69.4	Low	69.6	Low	76 Å²	76	79.3 Å²	79.3	47%	0.466	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-20.3	-172.1	57.9	0	0	0	0	114	T150 D251 V254	T148-T150 VanDerWaalsContact C-N 3.3Å; T148-T150 PolarHBondContact O-N 3.45Å; T148-D251 PolarHBondContact OG1-OD2 3.35Å; T148-V254 HydrophobicContact CG2-CG2 3.93Å; T148-V254 WeakPolarHBondContact OG1-CG2 3.38Å
149	G	61.6	Low	69.3	Low	52 Å²	52	80.8 Å²	80.8	54%	0.536	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.7	-177.2	0	0	0	0	0	115.6	C147 N151	C147-G149 VanDerWaalsContact C-N 3.33Å; C147-G149 PolarHBondContact O-N 3.49Å; G149-N151 PolarHBondContact O-N 3.27Å
150	T	54	Low	69.5	Low	42 Å²	42	78.4 Å²	78.4	26%	0.258	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	17.2	-167.9	-20.1	0	0	0	0	115.7	C147 T148 Q159	C147-T150 PolarHBondContact O-OG1 3.27Å; T148-T150 VanDerWaalsContact C-N 3.3Å; T148-T150 PolarHBondContact O-N 3.45Å; T150-Q159 HydrophobicContact CG2-CG 4.32Å
151	N	48.5	Very low	69.6	Low	146 Å²	146	78.4 Å²	78.4	78%	0.781	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	2	179.8	-74	-18	0	0	0	114.2	G149 F153	G149-N151 PolarHBondContact O-N 3.27Å; N151-F153 PolarHBondContact O-N 3.37Å
152	S	48.3	Very low	69.8	Low	85 Å²	85	78 Å²	78	59%	0.594	49%	0.489	S	S	*	.	S	Bend	trans	-74.8	109.9	168.7	55.7	0	0	0	0	110.4	G154	S152-G154 PolarHBondContact O-N 3.4Å; S152-G154 VanDerWaalsContact O-N 3.09Å
153	F	50.5	Low	69.8	Low	220 Å²	220	72.1 Å²	72.1	97%	0.965	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	112	174.9	-79.7	-105.8	0	0	0	111.9	N151	N151-F153 PolarHBondContact O-N 3.37Å
154	G	55.1	Low	69.9	Low	83 Å²	83	71.1 Å²	71.1	86%	0.856	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	143.6	5.7	164.1	0	0	0	0	0	120.3	S152	S152-G154 PolarHBondContact O-N 3.4Å; S152-G154 VanDerWaalsContact O-N 3.09Å
155	S	50.9	Low	69.9	Low	70 Å²	70	69.4 Å²	69.4	49%	0.49	45%	0.446	S	S	.	.			trans	-133.1	143.6	178.7	53.4	0	0	0	0	113.9
156	P	58.1	Low	70.2	Confident	123 Å²	123	66.9 Å²	66.9	80%	0.799	43%	0.43	S	S	*	.			trans	-83.7	156.6	-172.9	34.3	-36.1	0	0	0	113.7
157	A	56.4	Low	70.6	Confident	84 Å²	84	62.6 Å²	62.6	69%	0.694	40%	0.402	S	S	*	.	S	Bend	trans	67.3	131	-177.1	0	0	0	0	0	115.6	Q159	A157-Q159 PolarHBondContact O-N 3.46Å; A157-Q159 VanDerWaalsContact O-N 3.16Å
158	A	63.8	Low	71.2	Confident	83 Å²	83	62 Å²	62	69%	0.686	40%	0.398	S	S	*	.			trans	-65.6	113.1	171	0	0	0	0	0	108.9	T160	A158-T160 PolarHBondContact O-N 2.66Å
159	Q	75.3	Confident	72.3	Confident	85 Å²	85	58.4 Å²	58.4	40%	0.397	38%	0.376	S	S	.	.			trans	-67	134.6	-178.2	-67.7	-179.2	-5.1	0	0	110.1	C147 T150 A157	C147-Q159 HydrophobicContact CB-CB 4.02Å; C147-Q159 PolarHBondContact N-O 3.03Å; C147-Q159 PolarHBondContact SG-O 3.02Å; T150-Q159 HydrophobicContact CG2-CG 4.32Å; A157-Q159 PolarHBondContact O-N 3.46Å; A157-Q159 VanDerWaalsContact O-N 3.16Å
160	T	85.4	Confident	74	Confident	64 Å²	64	57.2 Å²	57.2	39%	0.393	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.7	-179.7	42.4	0	0	0	0	110.6	V144 A158 H249	V144-T160 HydrophobicContact CG1-CG2 3.85Å; A158-T160 PolarHBondContact O-N 2.66Å; T160-H249 PolarHBondContact O-N 3.45Å
161	C	87.1	Confident	76	Confident	8 Å²	8	57.4 Å²	57.4	5%	0.054	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	147.9	-177.7	-83.2	0	0	0	0	111.2	V145 C147 H249 D251	V145-C161 PolarHBondContact N-O 2.72Å; V145-C161 PolarHBondContact O-N 2.72Å; C147-C161 HydrophobicContact CB-CB 4.11Å; C147-C161 WeakPolarHBondContact CB-SG 3.5Å; C147-C161 WeakPolarHBondContact SG-CB 3.41Å; C147-C161 PolarHBondContact SG-N 2.91Å; C147-C161 CovalentContact SG-SG 2.04Å; C147-C161 PolarHBondContact SG-SG 3.17Å; C161-H249 VanDerWaalsContact CA-O 3.29Å; C161-H249 WeakPolarHBondContact CA-O 3.46Å; C161-D251 HydrophobicContact CB-CB 4.34Å
162	L	87.6	Confident	78.3	Confident	18 Å²	18	50.6 Å²	50.6	9%	0.094	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.4	176.8	177.6	63.4	0	0	0	110.8	L143 E164 L167 K239 I242 L248 H249	L143-L162 HydrophobicContact CD1-CD1 3.64Å; L143-L162 HydrophobicContact CG-CD1 4.01Å; L162-E164 PolarHBondContact O-N 3.48Å; L162-L167 HydrophobicContact CD2-CD2 4.15Å; L162-K239 HydrophobicContact CD2-CG 4.31Å; L162-I242 HydrophobicContact CD1-CG2 3.87Å; L162-I242 HydrophobicContact CD2-CG2 4.44Å; L162-L248 HydrophobicContact CB-CB 4.17Å; L162-L248 HydrophobicContact CB-CD1 4.14Å; L162-L248 HydrophobicContact CD1-CD1 3.98Å; L162-H249 PolarHBondContact N-O 2.76Å
163	N	88.6	Confident	80.6	Confident	17 Å²	17	46.5 Å²	46.5	9%	0.091	29%	0.292	C	S	.	.			trans	-80.3	99.7	172.3	-175.7	-2.6	0	0	0	110.9	Q139 F142 L143 V145 Y165 H166 L167	Q139-N163 PolarHBondContact O-ND2 3.26Å; F142-N163 WeakPolarHBondContact O-CB 3.36Å; F142-N163 PolarHBondContact O-ND2 3.04Å; L143-N163 WeakPolarHBondContact O-CB 3.15Å; L143-N163 PolarHBondContact O-N 2.84Å; V145-N163 HydrophobicContact CG2-CB 3.99Å; N163-Y165 VanDerWaalsContact C-N 3.26Å; N163-Y165 PolarHBondContact O-N 2.98Å; N163-Y165 WeakPolarHBondContact OD1-CB 3.23Å; N163-Y165 PolarHBondContact OD1-N 3.26Å; N163-Y165 VanDerWaalsContact OD1-N 3.11Å; N163-H166 HydrophobicContact CB-CB 4.17Å; N163-H166 PolarHBondContact O-N 3.45Å; N163-H166 PolarHBondContact OD1-N 2.87Å; N163-L167 PolarHBondContact O-N 3.22Å; N163-L167 VanDerWaalsContact O-N 3.11Å
164	E	88.1	Confident	82.9	Confident	19 Å²	19	37.1 Å²	37.1	9%	0.089	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-33.2	-179.8	-152.8	-175.2	-168.1	0	0	112.8	L162 L167 F168 K239 P257 L258	L162-E164 PolarHBondContact O-N 3.48Å; E164-L167 PolarHBondContact O-N 3.25Å; E164-F168 WeakPolarHBondContact O-CB 3.3Å; E164-F168 PolarHBondContact O-N 2.79Å; E164-K239 VanDerWaalsContact CD-NZ 3.33Å; E164-K239 HydrophobicContact CG-CD 4.37Å; E164-K239 WeakPolarHBondContact OE1-CD 3.15Å; E164-K239 WeakPolarHBondContact OE1-CE 3.41Å; E164-K239 IonicContact OE1-NZ 3.79Å; E164-K239 PolarHBondContact OE1-NZ 2.62Å; E164-K239 IonicContact OE2-NZ 3.12Å; E164-P257 WeakPolarHBondContact OE2-CA 3.47Å; E164-L258 HydrophobicContact CB-CD1 4.23Å; E164-L258 HydrophobicContact CG-CB 4.33Å; E164-L258 HydrophobicContact CG-CD1 3.95Å; E164-L258 HydrophobicContact CG-CG 4.38Å; E164-L258 PolarHBondContact OE1-N 3.47Å; E164-L258 PolarHBondContact OE2-N 3.46Å
165	Y	89.3	Confident	84.9	Confident	16 Å²	16	35.1 Å²	35.1	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-67.1	-43.7	178	-69.7	-84.4	0	0	0	112.1	Y140 N163 F168 F169 H255 L258 N266 L269	Y140-Y165 HydrophobicContact CE1-CD1 4.11Å; Y140-Y165 HydrophobicContact CE1-CG 4.41Å; N163-Y165 VanDerWaalsContact C-N 3.26Å; N163-Y165 PolarHBondContact O-N 2.98Å; N163-Y165 WeakPolarHBondContact OD1-CB 3.23Å; N163-Y165 PolarHBondContact OD1-N 3.26Å; N163-Y165 VanDerWaalsContact OD1-N 3.11Å; Y165-F168 WeakPolarHBondContact O-CB 3.28Å; Y165-F168 PolarHBondContact O-N 2.87Å; Y165-F169 WeakPolarHBondContact O-CD2 3.43Å; Y165-F169 PolarHBondContact O-N 3.16Å; Y165-F169 VanDerWaalsContact O-N 3.11Å; Y165-H255 HydrophobicContact CE2-CB 4.16Å; Y165-H255 AromaticContact CE2-CD2 3.63Å; Y165-L258 HydrophobicContact CD1-CD1 4.23Å; Y165-L258 HydrophobicContact CE1-CD2 4.23Å; Y165-N266 PolarHBondContact OH-ND2 3.13Å; Y165-L269 HydrophobicContact CD1-CB 4.35Å; Y165-L269 HydrophobicContact CD1-CD1 3.99Å; Y165-L269 HydrophobicContact CD1-CD2 3.84Å; Y165-L269 HydrophobicContact CD1-CG 4.27Å; Y165-L269 HydrophobicContact CE1-CB 4.28Å; Y165-L269 HydrophobicContact CE1-CD2 3.96Å
166	H	91.6	Very high	87.1	Confident	6 Å²	6	31.9 Å²	31.9	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-65.3	-41.3	175.4	-171.9	95	0	0	0	111.2	W130 Y140 S141 N163 F168 F169 L170	W130-H166 AromaticContact CD1-CE1 3.73Å; W130-H166 AromaticContact CD1-NE2 3.84Å; Y140-H166 PolarHBondContact O-ND1 3.37Å; S141-H166 PolarHBondContact O-CE1 3.26Å; S141-H166 PolarHBondContact O-ND1 3.43Å; N163-H166 HydrophobicContact CB-CB 4.17Å; N163-H166 PolarHBondContact O-N 3.45Å; N163-H166 PolarHBondContact OD1-N 2.87Å; H166-F168 VanDerWaalsContact C-N 3.33Å; H166-F168 PolarHBondContact O-N 3.3Å; H166-F169 WeakPolarHBondContact O-CB 3.4Å; H166-F169 PolarHBondContact O-N 3.48Å; H166-L170 WeakPolarHBondContact O-CG 3.41Å; H166-L170 PolarHBondContact O-N 2.98Å; H166-L170 VanDerWaalsContact O-N 3.1Å
167	L	92.1	Very high	89	Confident	4 Å²	4	26 Å²	26	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-42.3	174.1	177.4	55.9	0	0	0	112.1	L143 L162 N163 E164 F169 L170 L171 K239 I242	L143-L167 HydrophobicContact CD1-CB 4.07Å; L162-L167 HydrophobicContact CD2-CD2 4.15Å; N163-L167 PolarHBondContact O-N 3.22Å; N163-L167 VanDerWaalsContact O-N 3.11Å; E164-L167 PolarHBondContact O-N 3.25Å; L167-F169 VanDerWaalsContact C-N 3.32Å; L167-F169 PolarHBondContact O-N 3.49Å; L167-L170 PolarHBondContact O-N 2.93Å; L167-L171 HydrophobicContact CD1-CD1 3.73Å; L167-L171 HydrophobicContact CD1-CG 3.92Å; L167-L171 HydrophobicContact CG-CD1 3.83Å; L167-L171 HydrophobicContact CG-CG 4.45Å; L167-L171 WeakPolarHBondContact O-CB 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 3.06Å; L167-K239 HydrophobicContact CD2-CB 4.26Å; L167-I242 HydrophobicContact CD1-CD1 3.34Å; L167-I242 HydrophobicContact CD2-CD1 4.08Å; L167-I242 HydrophobicContact CG-CD1 4.36Å
168	F	93.1	Very high	91	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-42.1	175.7	-172	-88.2	0	0	0	111.8	E164 Y165 H166 A172 F227 Y231 L258 L264 L269 V273	E164-F168 WeakPolarHBondContact O-CB 3.3Å; E164-F168 PolarHBondContact O-N 2.79Å; Y165-F168 WeakPolarHBondContact O-CB 3.28Å; Y165-F168 PolarHBondContact O-N 2.87Å; H166-F168 VanDerWaalsContact C-N 3.33Å; H166-F168 PolarHBondContact O-N 3.3Å; F168-A172 VanDerWaalsContact O-CB 3.23Å; F168-A172 WeakPolarHBondContact O-CB 3.29Å; F168-A172 PolarHBondContact O-N 3.37Å; F168-F227 HydrophobicContact CD1-CE1 4.08Å; F168-F227 AromaticContact CD2-CE1 3.87Å; F168-F227 HydrophobicContact CD2-CE1 3.87Å; F168-F227 HydrophobicContact CE1-CD1 4.09Å; F168-F227 AromaticContact CE1-CE1 3.79Å; F168-F227 HydrophobicContact CE1-CE1 3.79Å; F168-F227 HydrophobicContact CE2-CD1 4.11Å; F168-F227 AromaticContact CE2-CE1 3.56Å; F168-F227 HydrophobicContact CE2-CE1 3.56Å; F168-F227 HydrophobicContact CE2-CZ 4.48Å; F168-F227 HydrophobicContact CG-CE1 4.12Å; F168-F227 AromaticContact CZ-CD1 3.72Å; F168-F227 HydrophobicContact CZ-CD1 3.72Å; F168-F227 AromaticContact CZ-CE1 3.52Å; F168-F227 HydrophobicContact CZ-CE1 3.52Å; F168-Y231 AromaticContact CD2-CD1 3.9Å; F168-Y231 HydrophobicContact CD2-CD1 3.9Å; F168-Y231 AromaticContact CD2-CD2 3.74Å; F168-Y231 HydrophobicContact CD2-CD2 3.74Å; F168-Y231 AromaticContact CD2-CE1 3.95Å; F168-Y231 HydrophobicContact CD2-CE1 3.95Å; F168-Y231 AromaticContact CD2-CE2 3.79Å; F168-Y231 HydrophobicContact CD2-CE2 3.79Å; F168-Y231 AromaticContact CD2-CG 3.79Å; F168-Y231 HydrophobicContact CD2-CG 3.79Å; F168-Y231 AromaticContact CD2-CZ 3.89Å; F168-Y231 AromaticContact CE2-CD1 3.88Å; F168-Y231 HydrophobicContact CE2-CD1 3.88Å; F168-Y231 HydrophobicContact CE2-CD2 4.06Å; F168-Y231 HydrophobicContact CE2-CE1 4.38Å; F168-Y231 AromaticContact CE2-CG 3.7Å; F168-Y231 HydrophobicContact CE2-CG 3.7Å; F168-L258 HydrophobicContact CB-CD1 3.94Å; F168-L258 HydrophobicContact CD2-CD1 4.14Å; F168-L258 HydrophobicContact CG-CD1 4.21Å; F168-L264 HydrophobicContact CE2-CD1 3.56Å; F168-L264 HydrophobicContact CZ-CD1 3.92Å; F168-L269 HydrophobicContact CD1-CD1 3.88Å; F168-L269 HydrophobicContact CD1-CD2 3.95Å; F168-L269 HydrophobicContact CD1-CG 4.15Å; F168-L269 HydrophobicContact CE1-CD1 4.33Å; F168-L269 HydrophobicContact CE1-CD2 4.07Å; F168-L269 HydrophobicContact CE1-CG 4.18Å; F168-L269 HydrophobicContact CG-CD2 4.28Å; F168-V273 HydrophobicContact CD1-CG2 3.97Å; F168-V273 HydrophobicContact CE1-CG1 4.23Å; F168-V273 HydrophobicContact CE1-CG2 3.98Å
169	F	93.4	Very high	92.5	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-48.9	174.2	-98.9	-97.2	0	0	0	113.2	A129 A133 Y140 Y165 H166 L167 L171 A172 G173 L269 H272 V273 C276	A129-F169 WeakPolarHBondContact CB-O 3.27Å; A133-F169 HydrophobicContact CB-CB 4.21Å; A133-F169 HydrophobicContact CB-CD1 3.8Å; A133-F169 HydrophobicContact CB-CE1 4.33Å; A133-F169 HydrophobicContact CB-CG 4.04Å; Y140-F169 AromaticContact CD1-CD2 3.94Å; Y140-F169 HydrophobicContact CD1-CD2 3.94Å; Y140-F169 AromaticContact CD1-CE2 3.45Å; Y140-F169 HydrophobicContact CD1-CE2 3.45Å; Y140-F169 VanDerWaalsContact CD1-CE2 3.45Å; Y140-F169 HydrophobicContact CD1-CZ 4.35Å; Y140-F169 HydrophobicContact CD2-CE2 4.38Å; Y140-F169 AromaticContact CE1-CE2 3.83Å; Y140-F169 HydrophobicContact CE1-CE2 3.83Å; Y140-F169 HydrophobicContact CG-CD2 4.36Å; Y140-F169 AromaticContact CG-CE2 3.76Å; Y140-F169 HydrophobicContact CG-CE2 3.76Å; Y140-F169 HydrophobicContact CG-CZ 4.26Å; Y165-F169 WeakPolarHBondContact O-CD2 3.43Å; Y165-F169 PolarHBondContact O-N 3.16Å; Y165-F169 VanDerWaalsContact O-N 3.11Å; H166-F169 WeakPolarHBondContact O-CB 3.4Å; H166-F169 PolarHBondContact O-N 3.48Å; L167-F169 VanDerWaalsContact C-N 3.32Å; L167-F169 PolarHBondContact O-N 3.49Å; F169-L171 PolarHBondContact O-N 3.27Å; F169-A172 PolarHBondContact O-N 3.43Å; F169-G173 PolarHBondContact O-N 2.96Å; F169-L269 HydrophobicContact CD2-CD1 4.07Å; F169-L269 HydrophobicContact CE2-CD1 3.74Å; F169-H272 HydrophobicContact CE2-CB 4.47Å; F169-H272 HydrophobicContact CZ-CB 3.67Å; F169-V273 HydrophobicContact CD1-CG2 4.25Å; F169-V273 HydrophobicContact CD2-CG2 3.72Å; F169-V273 HydrophobicContact CE1-CG2 4.01Å; F169-V273 HydrophobicContact CE2-CG2 3.46Å; F169-V273 VanDerWaalsContact CE2-CG2 3.46Å; F169-V273 HydrophobicContact CG-CG2 4.13Å; F169-V273 HydrophobicContact CZ-CG2 3.62Å; F169-C276 HydrophobicContact CE1-CB 4.06Å
170	L	96.1	Very high	93.5	Very high	28 Å²	28	19.4 Å²	19.4	15%	0.147	10%	0.1	C	C	.	.	H	α-helix	trans	-60.8	-45.3	-179.7	-64.8	179.6	0	0	0	111.6	M126 W130 H166 L167 G173 A174	M126-L170 HydrophobicContact CG-CB 4.15Å; M126-L170 HydrophobicContact CG-CD2 4.25Å; W130-L170 HydrophobicContact CB-CD2 3.57Å; W130-L170 HydrophobicContact CG-CD2 4.14Å; H166-L170 WeakPolarHBondContact O-CG 3.41Å; H166-L170 PolarHBondContact O-N 2.98Å; H166-L170 VanDerWaalsContact O-N 3.1Å; L167-L170 PolarHBondContact O-N 2.93Å; L170-G173 PolarHBondContact O-N 3.24Å; L170-A174 PolarHBondContact O-N 3.1Å
171	L	96.2	Very high	94	Very high	46 Å²	46	16.4 Å²	16.4	24%	0.241	8%	0.081	C	C	.	.	H	α-helix	trans	-68.4	-37.3	178.2	-68	170.8	0	0	0	112.2	L167 F169 A174 F175 F227 Y231 P238	L167-L171 HydrophobicContact CD1-CD1 3.73Å; L167-L171 HydrophobicContact CD1-CG 3.92Å; L167-L171 HydrophobicContact CG-CD1 3.83Å; L167-L171 HydrophobicContact CG-CG 4.45Å; L167-L171 WeakPolarHBondContact O-CB 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 3.06Å; F169-L171 PolarHBondContact O-N 3.27Å; L171-A174 PolarHBondContact O-N 3.2Å; L171-F175 WeakPolarHBondContact O-CB 3.31Å; L171-F175 PolarHBondContact O-N 2.73Å; L171-F227 HydrophobicContact CB-CE2 4.02Å; L171-F227 HydrophobicContact CB-CZ 3.64Å; L171-Y231 HydrophobicContact CD1-CD2 4.38Å; L171-Y231 HydrophobicContact CD1-CE2 3.91Å; L171-P238 HydrophobicContact CD1-CB 4Å; L171-P238 HydrophobicContact CD1-CG 3.61Å; L171-P238 HydrophobicContact CD2-CB 4.27Å; L171-P238 HydrophobicContact CD2-CG 4.42Å
172	A	96.8	Very high	94.3	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.017	9%	0.092	C	C	.	.	H	α-helix	trans	-62.4	-44.3	173.1	0	0	0	0	0	111.1	F168 F169 F175 M176 F227 V273	F168-A172 VanDerWaalsContact O-CB 3.23Å; F168-A172 WeakPolarHBondContact O-CB 3.29Å; F168-A172 PolarHBondContact O-N 3.37Å; F169-A172 PolarHBondContact O-N 3.43Å; A172-F175 PolarHBondContact O-N 3.03Å; A172-M176 HydrophobicContact CB-CE 4.26Å; A172-M176 WeakPolarHBondContact O-CB 3.47Å; A172-M176 WeakPolarHBondContact O-CE 3.3Å; A172-M176 VanDerWaalsContact O-CG 3.28Å; A172-M176 WeakPolarHBondContact O-CG 3.07Å; A172-M176 PolarHBondContact O-N 2.96Å; A172-F227 HydrophobicContact CB-CD1 3.75Å; A172-F227 HydrophobicContact CB-CE1 3.58Å; A172-F227 HydrophobicContact CB-CG 4.37Å; A172-F227 HydrophobicContact CB-CZ 4.07Å; A172-F227 VanDerWaalsContact N-CZ 3.32Å; A172-V273 HydrophobicContact CB-CG1 3.73Å
173	G	97.6	Very high	94.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.1	-47.4	174.2	0	0	0	0	0	112.8	G125 F169 L170 F175 M176 G177	G125-G173 VanDerWaalsContact C-C 3.43Å; G125-G173 CarbonylContact C-O 3.56Å; G125-G173 WeakPolarHBondContact CA-O 3.42Å; G125-G173 CarbonylContact O-C 3.59Å; G125-G173 WeakPolarHBondContact O-CA 3.26Å; F169-G173 PolarHBondContact O-N 2.96Å; L170-G173 PolarHBondContact O-N 3.24Å; G173-F175 PolarHBondContact O-N 3.19Å; G173-M176 PolarHBondContact O-N 3.46Å; G173-G177 PolarHBondContact O-N 3.49Å
174	A	97.9	Very high	94.7	Very high	23 Å²	23	19.2 Å²	19.2	19%	0.19	10%	0.095	C	C	.	.	H	α-helix	trans	-60.5	-45.1	175.8	0	0	0	0	0	112.3	A122 M126 L170 L171 G177 Y178	A122-A174 WeakPolarHBondContact O-CA 3.47Å; M126-A174 HydrophobicContact CB-CB 4.19Å; L170-A174 PolarHBondContact O-N 3.1Å; L171-A174 PolarHBondContact O-N 3.2Å; A174-G177 PolarHBondContact O-N 3.28Å; A174-Y178 WeakPolarHBondContact O-CB 3.17Å; A174-Y178 PolarHBondContact O-N 2.91Å
175	F	97.9	Very high	94.8	Very high	40 Å²	40	18.7 Å²	18.7	18%	0.175	9%	0.092	C	C	.	.	H	α-helix	trans	-64.9	-41.7	177.9	176.3	-95.5	0	0	0	112.6	L171 A172 G173 S179 L223 N226 F227 L230	L171-F175 WeakPolarHBondContact O-CB 3.31Å; L171-F175 PolarHBondContact O-N 2.73Å; A172-F175 PolarHBondContact O-N 3.03Å; G173-F175 PolarHBondContact O-N 3.19Å; F175-S179 VanDerWaalsContact O-CB 3.25Å; F175-S179 WeakPolarHBondContact O-CB 3.26Å; F175-S179 PolarHBondContact O-N 2.97Å; F175-S179 PolarHBondContact O-OG 2.92Å; F175-L223 HydrophobicContact CE1-CB 4.43Å; F175-L223 HydrophobicContact CE1-CD2 4.32Å; F175-L223 WeakPolarHBondContact CE1-O 3.22Å; F175-N226 HydrophobicContact CE1-CB 4.36Å; F175-N226 HydrophobicContact CZ-CB 4.14Å; F175-F227 HydrophobicContact CB-CD2 3.57Å; F175-F227 HydrophobicContact CB-CE2 4.02Å; F175-F227 HydrophobicContact CB-CG 4.43Å; F175-F227 HydrophobicContact CD1-CB 3.66Å; F175-F227 AromaticContact CD1-CD2 3.93Å; F175-F227 HydrophobicContact CD1-CD2 3.93Å; F175-F227 HydrophobicContact CD1-CG 4.16Å; F175-F227 HydrophobicContact CD2-CD2 4.25Å; F175-F227 HydrophobicContact CE1-CB 3.9Å; F175-F227 HydrophobicContact CG-CB 4.25Å; F175-F227 AromaticContact CG-CD2 3.64Å; F175-F227 HydrophobicContact CG-CD2 3.64Å; F175-F227 HydrophobicContact CG-CG 4.34Å; F175-L230 HydrophobicContact CD2-CD2 3.73Å; F175-L230 HydrophobicContact CE2-CD2 3.88Å
176	M	97.6	Very high	94.8	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.015	11%	0.106	C	C	.	.	H	α-helix	trans	-65.7	-41.9	176.5	-72.4	-174.2	-70.2	0	0	111.3	A172 G173 S179 Y180 L223 G277 L280	A172-M176 HydrophobicContact CB-CE 4.26Å; A172-M176 WeakPolarHBondContact O-CB 3.47Å; A172-M176 WeakPolarHBondContact O-CE 3.3Å; A172-M176 VanDerWaalsContact O-CG 3.28Å; A172-M176 WeakPolarHBondContact O-CG 3.07Å; A172-M176 PolarHBondContact O-N 2.96Å; G173-M176 PolarHBondContact O-N 3.46Å; M176-S179 PolarHBondContact O-N 3.44Å; M176-Y180 WeakPolarHBondContact O-CB 3.44Å; M176-Y180 PolarHBondContact O-N 3.24Å; M176-L223 HydrophobicContact CB-CD1 4.28Å; M176-L223 HydrophobicContact CG-CB 4.09Å; M176-L223 HydrophobicContact CG-CD1 4.01Å; M176-G277 WeakPolarHBondContact SD-CA 3.45Å; M176-L280 HydrophobicContact CB-CD1 4.24Å
177	G	97.6	Very high	94.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-45.6	175	0	0	0	0	0	113.4	H121 G173 A174 S181	H121-G177 WeakPolarHBondContact CB-O 3.42Å; H121-G177 WeakPolarHBondContact O-CA 3.43Å; G173-G177 PolarHBondContact O-N 3.49Å; A174-G177 PolarHBondContact O-N 3.28Å; G177-S181 PolarHBondContact O-N 2.99Å
178	Y	96.9	Very high	94.5	Very high	102 Å²	102	23.8 Å²	23.8	40%	0.4	12%	0.123	S	C	.	.	H	α-helix	trans	-58.9	-47	172	173.1	-98.2	0	0	0	112	A174 Y180 S181 L182	A174-Y178 WeakPolarHBondContact O-CB 3.17Å; A174-Y178 PolarHBondContact O-N 2.91Å; Y178-Y180 PolarHBondContact O-N 3.19Å; Y178-S181 WeakPolarHBondContact O-CB 3.45Å; Y178-S181 PolarHBondContact O-N 3.17Å; Y178-L182 HydrophobicContact CE1-CD2 4.4Å; Y178-L182 PolarHBondContact O-N 3.16Å
179	S	96.3	Very high	94.3	Very high	11 Å²	11	23.9 Å²	23.9	8%	0.077	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-40	-177.6	-61.6	0	0	0	0	112.2	F175 M176 S181 L182 L183 L223	F175-S179 VanDerWaalsContact O-CB 3.25Å; F175-S179 WeakPolarHBondContact O-CB 3.26Å; F175-S179 PolarHBondContact O-N 2.97Å; F175-S179 PolarHBondContact O-OG 2.92Å; M176-S179 PolarHBondContact O-N 3.44Å; S179-S181 PolarHBondContact O-N 3.15Å; S179-L182 PolarHBondContact O-N 3.4Å; S179-L183 WeakPolarHBondContact O-CB 3.48Å; S179-L183 VanDerWaalsContact O-CG 3.28Å; S179-L183 WeakPolarHBondContact O-CG 3.36Å; S179-L183 PolarHBondContact O-N 2.83Å; S179-L223 VanDerWaalsContact CB-CD2 3.48Å
180	Y	96.2	Very high	94.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.5	-47.6	171.7	172.3	-88.2	0	0	0	111.2	H121 M176 Y178 L182 L183 Y184 M189 L281 W284 Y285	H121-Y180 AromaticContact CD2-CD1 3.6Å; H121-Y180 AromaticContact CD2-CE1 3.7Å; H121-Y180 AromaticContact NE2-CE1 3.82Å; M176-Y180 WeakPolarHBondContact O-CB 3.44Å; M176-Y180 PolarHBondContact O-N 3.24Å; Y178-Y180 PolarHBondContact O-N 3.19Å; Y180-L182 PolarHBondContact O-N 3.14Å; Y180-L183 PolarHBondContact O-N 2.73Å; Y180-Y184 HydrophobicContact CE1-CD2 4.32Å; Y180-Y184 VanDerWaalsContact O-CB 3.26Å; Y180-Y184 WeakPolarHBondContact O-CB 3.28Å; Y180-Y184 PolarHBondContact O-N 3Å; Y180-M189 HydrophobicContact CD2-CE 4.46Å; Y180-M189 HydrophobicContact CE2-CE 4.25Å; Y180-L281 HydrophobicContact CD2-CD2 4.06Å; Y180-W284 AromaticContact CD1-CE3 3.48Å; Y180-W284 HydrophobicContact CD1-CE3 3.48Å; Y180-W284 VanDerWaalsContact CD1-CE3 3.48Å; Y180-W284 AromaticContact CD1-CZ3 3.69Å; Y180-W284 HydrophobicContact CD1-CZ3 3.69Å; Y180-W284 AromaticContact CD2-CE3 3.98Å; Y180-W284 HydrophobicContact CD2-CE3 3.98Å; Y180-W284 AromaticContact CE1-CE3 3.83Å; Y180-W284 HydrophobicContact CE1-CE3 3.83Å; Y180-W284 HydrophobicContact CE1-CZ3 4.39Å; Y180-W284 HydrophobicContact CE2-CB 4.18Å; Y180-W284 HydrophobicContact CE2-CE3 4.27Å; Y180-W284 AromaticContact CG-CE3 3.57Å; Y180-W284 HydrophobicContact CG-CE3 3.57Å; Y180-W284 AromaticContact CG-CZ3 3.84Å; Y180-W284 HydrophobicContact CG-CZ3 3.84Å; Y180-Y285 HydrophobicContact CD2-CE1 4.15Å; Y180-Y285 AromaticContact CE2-CD1 3.87Å; Y180-Y285 HydrophobicContact CE2-CD1 3.87Å; Y180-Y285 AromaticContact CE2-CE1 3.55Å; Y180-Y285 HydrophobicContact CE2-CE1 3.55Å; Y180-Y285 AromaticContact CE2-CZ 3.94Å
181	S	95.8	Very high	93.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.8	-43.3	177.4	177.1	0	0	0	0	112.6	H117 S118 G177 Y178 S179 Y184 F185	H117-S181 PolarHBondContact ND1-OG 3.44Å; S118-S181 WeakPolarHBondContact CA-OG 3.35Å; S118-S181 WeakPolarHBondContact CB-OG 3.26Å; S118-S181 PolarHBondContact N-OG 3.15Å; S118-S181 PolarHBondContact OG-OG 3.25Å; G177-S181 PolarHBondContact O-N 2.99Å; Y178-S181 WeakPolarHBondContact O-CB 3.45Å; Y178-S181 PolarHBondContact O-N 3.17Å; S179-S181 PolarHBondContact O-N 3.15Å; S181-Y184 WeakPolarHBondContact O-CB 3.4Å; S181-Y184 PolarHBondContact O-N 3.08Å; S181-F185 VanDerWaalsContact O-CD2 3.31Å; S181-F185 WeakPolarHBondContact O-CD2 3.26Å; S181-F185 PolarHBondContact O-N 3.44Å
182	L	92.8	Very high	93.6	Very high	52 Å²	52	21.6 Å²	21.6	27%	0.272	11%	0.111	S	C	.	.	H	α-helix	trans	-60.6	-49.1	176	-177.5	65.3	0	0	0	111	I109 Y178 S179 Y180 Y184 F185 V186	I109-L182 HydrophobicContact CB-CD1 4.49Å; I109-L182 HydrophobicContact CD1-CD1 3.95Å; I109-L182 HydrophobicContact CG1-CD1 3.97Å; I109-L182 HydrophobicContact CG2-CD1 3.67Å; Y178-L182 HydrophobicContact CE1-CD2 4.4Å; Y178-L182 PolarHBondContact O-N 3.16Å; S179-L182 PolarHBondContact O-N 3.4Å; Y180-L182 PolarHBondContact O-N 3.14Å; L182-Y184 VanDerWaalsContact C-N 3.3Å; L182-Y184 PolarHBondContact O-N 2.99Å; L182-F185 PolarHBondContact O-N 3.14Å; L182-V186 HydrophobicContact CD1-CG2 4.16Å; L182-V186 HydrophobicContact CG-CG2 4.29Å; L182-V186 WeakPolarHBondContact O-CB 3.46Å; L182-V186 WeakPolarHBondContact O-CG2 3.36Å; L182-V186 PolarHBondContact O-N 2.8Å
183	L	92.3	Very high	93.1	Very high	47 Å²	47	21.6 Å²	21.6	25%	0.246	11%	0.111	C	C	.	.	H	α-helix	trans	-66.1	-31.3	178.7	-68.2	170.4	0	0	0	112.3	S179 Y180 F185 V186 N187 M189 E219	S179-L183 WeakPolarHBondContact O-CB 3.48Å; S179-L183 VanDerWaalsContact O-CG 3.28Å; S179-L183 WeakPolarHBondContact O-CG 3.36Å; S179-L183 PolarHBondContact O-N 2.83Å; Y180-L183 PolarHBondContact O-N 2.73Å; L183-F185 PolarHBondContact O-N 2.69Å; L183-V186 PolarHBondContact O-N 2.85Å; L183-N187 VanDerWaalsContact O-CB 3.24Å; L183-N187 WeakPolarHBondContact O-CB 3.29Å; L183-N187 PolarHBondContact O-N 3.05Å; L183-M189 HydrophobicContact CB-CE 4.42Å; L183-E219 VanDerWaalsContact CD1-OE1 3.24Å; L183-E219 WeakPolarHBondContact CD1-OE1 3.42Å
184	Y	92.3	Very high	92.5	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-58.9	-45.2	176.5	-177.4	-93.4	0	0	0	111.7	F91 H117 Y180 S181 L182 N188 M189 N190	F91-Y184 HydrophobicContact CB-CE1 4.32Å; H117-Y184 AromaticContact CE1-CD1 3.88Å; H117-Y184 AromaticContact NE2-CD1 3.95Å; H117-Y184 AromaticContact NE2-CE1 3.85Å; Y180-Y184 HydrophobicContact CE1-CD2 4.32Å; Y180-Y184 VanDerWaalsContact O-CB 3.26Å; Y180-Y184 WeakPolarHBondContact O-CB 3.28Å; Y180-Y184 PolarHBondContact O-N 3Å; S181-Y184 WeakPolarHBondContact O-CB 3.4Å; S181-Y184 PolarHBondContact O-N 3.08Å; L182-Y184 VanDerWaalsContact C-N 3.3Å; L182-Y184 PolarHBondContact O-N 2.99Å; Y184-N188 PolarHBondContact O-N 3.21Å; Y184-M189 VanDerWaalsContact CA-CE 3.42Å; Y184-M189 HydrophobicContact CD2-CB 3.72Å; Y184-M189 HydrophobicContact CD2-CE 4.25Å; Y184-M189 HydrophobicContact CE2-CB 4.22Å; Y184-M189 HydrophobicContact CG-CB 4.21Å; Y184-M189 PolarHBondContact O-N 2.99Å; Y184-N190 HydrophobicContact CD1-CB 4.21Å; Y184-N190 HydrophobicContact CE1-CB 3.47Å; Y184-N190 VanDerWaalsContact CE1-CB 3.47Å
185	F	91	Very high	91.5	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.035	11%	0.114	C	C	.	.	H	α-helix	trans	-83	-35.3	175.8	-63.9	-64.5	0	0	0	113.8	F91 K108 Q114 H117 S181 L182 L183 N188	F91-F185 HydrophobicContact CB-CE1 4.44Å; F91-F185 HydrophobicContact CB-CZ 4.4Å; F91-F185 HydrophobicContact CD1-CE1 4Å; F91-F185 AromaticContact CD1-CZ 3.65Å; F91-F185 HydrophobicContact CD1-CZ 3.65Å; F91-F185 HydrophobicContact CE1-CZ 4.26Å; F91-F185 HydrophobicContact CG-CZ 4.23Å; K108-F185 WeakPolarHBondContact CE-O 3.04Å; K108-F185 PolarHBondContact NZ-O 2.92Å; Q114-F185 HydrophobicContact CB-CD2 4.11Å; Q114-F185 HydrophobicContact CB-CE2 3.96Å; Q114-F185 HydrophobicContact CB-CZ 4.46Å; Q114-F185 HydrophobicContact CG-CD1 4.19Å; Q114-F185 HydrophobicContact CG-CD2 3.95Å; Q114-F185 HydrophobicContact CG-CE1 4.05Å; Q114-F185 HydrophobicContact CG-CE2 3.79Å; Q114-F185 HydrophobicContact CG-CG 4.15Å; Q114-F185 HydrophobicContact CG-CZ 3.86Å; H117-F185 HydrophobicContact CB-CE2 3.97Å; H117-F185 HydrophobicContact CB-CZ 4.19Å; H117-F185 AromaticContact CD2-CZ 3.77Å; H117-F185 AromaticContact CE1-CE2 3.89Å; H117-F185 AromaticContact CG-CE2 3.64Å; H117-F185 AromaticContact CG-CZ 3.78Å; H117-F185 AromaticContact ND1-CE2 3.51Å; H117-F185 AromaticContact ND1-CZ 3.99Å; S181-F185 VanDerWaalsContact O-CD2 3.31Å; S181-F185 WeakPolarHBondContact O-CD2 3.26Å; S181-F185 PolarHBondContact O-N 3.44Å; L182-F185 PolarHBondContact O-N 3.14Å; L183-F185 PolarHBondContact O-N 2.69Å; F185-N188 PolarHBondContact O-N 3.4Å
186	V	88.9	Confident	90.2	Very high	56 Å²	56	28.3 Å²	28.3	34%	0.339	14%	0.144	S	C	.	.	H	α-helix	trans	-66.9	-44.2	179.7	170	0	0	0	0	111.4	L105 I109 L182 L183 N188	L105-V186 HydrophobicContact CD1-CG2 4.36Å; I109-V186 HydrophobicContact CD1-CG2 4.05Å; I109-V186 HydrophobicContact CG1-CG2 4.37Å; L182-V186 HydrophobicContact CD1-CG2 4.16Å; L182-V186 HydrophobicContact CG-CG2 4.29Å; L182-V186 WeakPolarHBondContact O-CB 3.46Å; L182-V186 WeakPolarHBondContact O-CG2 3.36Å; L182-V186 PolarHBondContact O-N 2.8Å; L183-V186 PolarHBondContact O-N 2.85Å; V186-N188 VanDerWaalsContact C-N 3.31Å; V186-N188 PolarHBondContact O-N 2.83Å
187	N	88.4	Confident	89.2	Confident	65 Å²	65	34.1 Å²	34.1	35%	0.348	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	0.5	-179.2	-63.7	-28.6	0	0	0	113.5	L183 M189 V623	L183-N187 VanDerWaalsContact O-CB 3.24Å; L183-N187 WeakPolarHBondContact O-CB 3.29Å; L183-N187 PolarHBondContact O-N 3.05Å; N187-M189 VanDerWaalsContact C-N 3.33Å; N187-M189 HydrophobicContact CB-CG 4.04Å; N187-M189 PolarHBondContact O-N 3Å; N187-V623 HydrophobicContact CB-CG1 4.34Å; N187-V623 HydrophobicContact CB-CG2 4.34Å; N187-V623 WeakPolarHBondContact O-CG1 3.36Å
188	N	88.6	Confident	88.2	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.064	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	43.8	-171.7	-72.8	-38.4	0	0	0	112.8	S97 K108 Y184 F185 V186 N190 Y191	S97-N188 PolarHBondContact O-ND2 3.48Å; S97-N188 PolarHBondContact O-OD1 3.1Å; S97-N188 PolarHBondContact OG-OD1 3.35Å; K108-N188 PolarHBondContact NZ-OD1 3.32Å; Y184-N188 PolarHBondContact O-N 3.21Å; F185-N188 PolarHBondContact O-N 3.4Å; V186-N188 VanDerWaalsContact C-N 3.31Å; V186-N188 PolarHBondContact O-N 2.83Å; N188-N190 PolarHBondContact O-N 2.89Å; N188-Y191 VanDerWaalsContact O-CB 3.26Å; N188-Y191 WeakPolarHBondContact O-CB 3.32Å; N188-Y191 PolarHBondContact O-N 3.37Å; N188-Y191 VanDerWaalsContact O-N 3.08Å
189	M	89.2	Confident	87.4	Confident	2 Å²	2	37 Å²	37	1%	0.01	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22	173.4	-54.6	-155.6	-75	0	0	111.8	Y180 L183 Y184 N187 Y191 Y285 W288 V623	Y180-M189 HydrophobicContact CD2-CE 4.46Å; Y180-M189 HydrophobicContact CE2-CE 4.25Å; L183-M189 HydrophobicContact CB-CE 4.42Å; Y184-M189 VanDerWaalsContact CA-CE 3.42Å; Y184-M189 HydrophobicContact CD2-CB 3.72Å; Y184-M189 HydrophobicContact CD2-CE 4.25Å; Y184-M189 HydrophobicContact CE2-CB 4.22Å; Y184-M189 HydrophobicContact CG-CB 4.21Å; Y184-M189 PolarHBondContact O-N 2.99Å; N187-M189 VanDerWaalsContact C-N 3.33Å; N187-M189 HydrophobicContact CB-CG 4.04Å; N187-M189 PolarHBondContact O-N 3Å; M189-Y191 PolarHBondContact O-N 3.39Å; M189-Y285 HydrophobicContact CE-CE1 3.75Å; M189-Y285 HydrophobicContact SD-CE1 3.73Å; M189-W288 HydrophobicContact CB-CZ2 4.04Å; M189-W288 PolarHBondContact O-NE1 3.35Å; M189-V623 HydrophobicContact CG-CG2 3.96Å; M189-V623 HydrophobicContact SD-CG2 3.89Å
190	N	90.4	Very high	86.9	Confident	13 Å²	13	45.6 Å²	45.6	7%	0.07	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.5	170.8	76	-38.4	0	0	0	114.5	F91 A93 Y184 N188	F91-N190 WeakPolarHBondContact O-CB 3.48Å; F91-N190 PolarHBondContact O-ND2 3.02Å; A93-N190 PolarHBondContact N-O 3.3Å; Y184-N190 HydrophobicContact CD1-CB 4.21Å; Y184-N190 HydrophobicContact CE1-CB 3.47Å; Y184-N190 VanDerWaalsContact CE1-CB 3.47Å; N188-N190 PolarHBondContact O-N 2.89Å
191	Y	91	Very high	86.6	Confident	12 Å²	12	48.9 Å²	48.9	5%	0.047	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-70.8	130.1	176.1	173.4	-128.7	0	0	0	111.6	A93 V94 P96 N188 M189 P193 Y627	A93-Y191 CarbonylContact O-C 3.37Å; A93-Y191 VanDerWaalsContact O-CA 3.29Å; A93-Y191 WeakPolarHBondContact O-CA 3.37Å; V94-Y191 WeakPolarHBondContact O-CE2 3.48Å; P96-Y191 HydrophobicContact CB-CD2 4.19Å; P96-Y191 HydrophobicContact CB-CG 4.1Å; P96-Y191 HydrophobicContact CG-CD2 4.38Å; P96-Y191 HydrophobicContact CG-CE2 4.41Å; N188-Y191 VanDerWaalsContact O-CB 3.26Å; N188-Y191 WeakPolarHBondContact O-CB 3.32Å; N188-Y191 PolarHBondContact O-N 3.37Å; N188-Y191 VanDerWaalsContact O-N 3.08Å; M189-Y191 PolarHBondContact O-N 3.39Å; Y191-P193 HydrophobicContact CD1-CB 4.28Å; Y191-P193 HydrophobicContact CD1-CG 4.49Å; Y191-P193 HydrophobicContact CE1-CB 3.66Å; Y191-P193 HydrophobicContact CE1-CG 4.33Å; Y191-P193 WeakPolarHBondContact O-CD 3.31Å; Y191-Y627 AromaticContact CD1-CD1 3.93Å; Y191-Y627 HydrophobicContact CD1-CD1 3.93Å; Y191-Y627 AromaticContact CE1-CD1 3.84Å; Y191-Y627 HydrophobicContact CE1-CD1 3.84Å; Y191-Y627 HydrophobicContact CE1-CG 4.39Å
192	L	90.5	Very high	86.3	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.01	27%	0.267	C	S	.	.			trans	-97.8	91.8	173.1	-69.2	179.4	0	0	0	111.6	Y92 A93 F194 F291 K292 A295 T296 I326	Y92-L192 HydrophobicContact CD2-CD1 3.62Å; Y92-L192 HydrophobicContact CE2-CD1 4.42Å; Y92-L192 HydrophobicContact CG-CD1 3.9Å; A93-L192 PolarHBondContact O-N 3.42Å; L192-F194 WeakPolarHBondContact O-CD2 3.39Å; L192-F291 HydrophobicContact CD1-CE1 4.21Å; L192-F291 HydrophobicContact CD1-CZ 4.33Å; L192-F291 HydrophobicContact CD2-CD1 4.42Å; L192-F291 HydrophobicContact CD2-CE1 4.07Å; L192-K292 HydrophobicContact CD2-CB 4.01Å; L192-K292 HydrophobicContact CD2-CG 4.17Å; L192-A295 HydrophobicContact CD1-CB 4.1Å; L192-T296 HydrophobicContact CB-CG2 4.1Å; L192-I326 HydrophobicContact CD1-CD1 3.64Å
193	P	86.3	Confident	86.1	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.013	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-76	128.1	173.8	31.6	-36.5	0	0	0	110.7	Y191 D624	Y191-P193 HydrophobicContact CD1-CB 4.28Å; Y191-P193 HydrophobicContact CD1-CG 4.49Å; Y191-P193 HydrophobicContact CE1-CB 3.66Å; Y191-P193 HydrophobicContact CE1-CG 4.33Å; Y191-P193 WeakPolarHBondContact O-CD 3.31Å; P193-D624 HydrophobicContact CB-CB 4.24Å; P193-D624 VanDerWaalsContact CB-OD2 3.31Å; P193-D624 WeakPolarHBondContact CB-OD2 3.33Å; P193-D624 HydrophobicContact CG-CB 3.68Å; P193-D624 WeakPolarHBondContact CG-OD2 3.42Å
194	F	85.6	Confident	85.8	Confident	16 Å²	16	57 Å²	57	7%	0.07	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-82.9	126.8	172.2	-71	-103.2	0	0	0	109.4	V94 L192 T296 I326 Y329 L330 W563	V94-F194 HydrophobicContact CG1-CE2 4.14Å; L192-F194 WeakPolarHBondContact O-CD2 3.39Å; F194-T296 HydrophobicContact CD1-CG2 4.27Å; F194-T296 HydrophobicContact CD2-CG2 4.38Å; F194-T296 HydrophobicContact CE1-CG2 4.3Å; F194-T296 HydrophobicContact CE2-CG2 4.39Å; F194-T296 HydrophobicContact CG-CG2 4.31Å; F194-T296 HydrophobicContact CZ-CG2 4.36Å; F194-I326 HydrophobicContact CZ-CG1 4.39Å; F194-Y329 AromaticContact CD2-CD1 3.99Å; F194-Y329 HydrophobicContact CD2-CD1 3.99Å; F194-Y329 AromaticContact CE2-CD1 3.77Å; F194-Y329 HydrophobicContact CE2-CD1 3.77Å; F194-Y329 HydrophobicContact CE2-CG 4.22Å; F194-L330 HydrophobicContact CE1-CD2 3.83Å; F194-L330 HydrophobicContact CE1-CG 4.13Å; F194-W563 HydrophobicContact CB-CH2 3.51Å; F194-W563 HydrophobicContact CB-CZ2 3.73Å; F194-W563 AromaticContact CD1-CH2 3.88Å; F194-W563 HydrophobicContact CD1-CH2 3.88Å; F194-W563 AromaticContact CD2-CH2 3.97Å; F194-W563 HydrophobicContact CD2-CH2 3.97Å; F194-W563 AromaticContact CG-CH2 3.53Å; F194-W563 HydrophobicContact CG-CH2 3.53Å; F194-W563 HydrophobicContact CG-CZ2 4.24Å
195	P	76.3	Confident	85.8	Confident	29 Å²	29	58.2 Å²	58.2	19%	0.188	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-71	139.5	179.9	31.6	-35	0	0	0	110.2	I197	P195-I197 VanDerWaalsContact C-N 3.28Å; P195-I197 PolarHBondContact O-N 3.34Å
196	I	70.6	Confident	85.8	Confident	159 Å²	159	65.7 Å²	65.7	82%	0.815	31%	0.305	S	S	*	.	S	Bend	trans	-63.6	-38.2	175.6	-59.8	170.9	0	0	0	110.6
197	I	76.2	Confident	85.8	Confident	126 Å²	126	72.3 Å²	72.3	65%	0.646	32%	0.324	S	S	*	.	S	Bend	trans	-107.9	119.3	176.7	-59.7	171.3	0	0	0	108.2	P195 Q199	P195-I197 VanDerWaalsContact C-N 3.28Å; P195-I197 PolarHBondContact O-N 3.34Å; I197-Q199 HydrophobicContact CG2-CG 4.22Å
198	Q	77.6	Confident	85.8	Confident	72 Å²	72	70.8 Å²	70.8	34%	0.336	32%	0.318	S	S	.	.			trans	-71.2	129.3	172.5	-68.8	-67.3	-7.6	0	0	109.8	A298	Q198-A298 HydrophobicContact CG-CB 4.34Å
199	Q	80.4	Confident	85.9	Confident	89 Å²	89	73.3 Å²	73.3	42%	0.416	33%	0.332	S	S	.	.			trans	-130.9	148.4	-179.5	-65	-168.2	-35.7	0	0	109.8	I197 K201	I197-Q199 HydrophobicContact CG2-CG 4.22Å; Q199-K201 PolarHBondContact O-N 3.14Å
200	Y	85.8	Confident	86	Confident	193 Å²	193	80 Å²	80	76%	0.757	37%	0.367	S	S	*	.			trans	-54.1	137.5	175.3	-63.3	-76.6	0	0	0	111.9	F202 L203 R204	Y200-F202 VanDerWaalsContact C-N 3.3Å; Y200-F202 PolarHBondContact O-N 3.4Å; Y200-L203 HydrophobicContact CD2-CD1 4.1Å; Y200-L203 PolarHBondContact O-N 3.48Å; Y200-R204 PolarHBondContact O-N 3.19Å; Y200-R204 VanDerWaalsContact O-N 3.11Å
201	K	89.3	Confident	86.1	Confident	68 Å²	68	81.9 Å²	81.9	30%	0.296	38%	0.376	S	S	.	.	H	α-helix	trans	-50.3	-47	-172.6	-58.9	178.3	-175.2	179.3	0	112.6	Q199 L203 R204 F205 I293 Y294 E297	Q199-K201 PolarHBondContact O-N 3.14Å; K201-L203 PolarHBondContact O-N 2.84Å; K201-R204 PolarHBondContact O-N 2.69Å; K201-F205 PolarHBondContact O-N 3.33Å; K201-I293 HydrophobicContact CB-CG2 3.99Å; K201-I293 HydrophobicContact CG-CG2 4.02Å; K201-Y294 HydrophobicContact CD-CE1 4.02Å; K201-Y294 HydrophobicContact CD-CE2 4.49Å; K201-E297 WeakPolarHBondContact CE-OE1 3.2Å; K201-E297 WeakPolarHBondContact CE-OE2 3.47Å; K201-E297 IonicContact NZ-OE1 3.84Å; K201-E297 PolarHBondContact NZ-OE1 2.71Å; K201-E297 IonicContact NZ-OE2 3.15Å; K201-E297 PolarHBondContact NZ-OE2 2.7Å
202	F	88.3	Confident	86.2	Confident	139 Å²	139	81.3 Å²	81.3	61%	0.61	37%	0.374	S	S	*	.	H	α-helix	trans	-61.2	-42.5	178.4	178.3	-105.1	0	0	0	113.2	Y200 F205 R206	Y200-F202 VanDerWaalsContact C-N 3.3Å; Y200-F202 PolarHBondContact O-N 3.4Å; F202-F205 PolarHBondContact O-N 3.19Å; F202-R206 VanDerWaalsContact O-CB 3.23Å; F202-R206 WeakPolarHBondContact O-CB 3.33Å; F202-R206 PolarHBondContact O-N 3.42Å
203	L	88.6	Confident	86.4	Confident	90 Å²	90	84.1 Å²	84.1	47%	0.471	39%	0.392	S	S	.	.	H	α-helix	trans	-65.5	-41.2	178	-65	175.8	0	0	0	111.3	Y200 K201 R207	Y200-L203 HydrophobicContact CD2-CD1 4.1Å; Y200-L203 PolarHBondContact O-N 3.48Å; K201-L203 PolarHBondContact O-N 2.84Å; L203-R207 VanDerWaalsContact O-CB 3.29Å; L203-R207 WeakPolarHBondContact O-CB 3.34Å; L203-R207 PolarHBondContact O-N 2.92Å
204	R	87.6	Confident	86.8	Confident	40 Å²	40	91 Å²	91	15%	0.151	42%	0.421	C	S	.	.	H	α-helix	trans	-64.4	-41.2	177	-169.6	170.3	177.4	-159.3	2.6	111.8	Y200 K201 S208 I293 T296	Y200-R204 PolarHBondContact O-N 3.19Å; Y200-R204 VanDerWaalsContact O-N 3.11Å; K201-R204 PolarHBondContact O-N 2.69Å; R204-S208 PolarHBondContact O-N 3.42Å; R204-S208 PolarHBondContact O-OG 2.93Å; R204-I293 HydrophobicContact CB-CD1 4.2Å; R204-I293 HydrophobicContact CG-CD1 4.01Å; R204-I293 HydrophobicContact CG-CG1 4.02Å; R204-T296 PolarHBondContact NH1-OG1 3.44Å; R204-T296 PolarHBondContact NH2-OG1 3.38Å
205	F	90.5	Very high	87.2	Confident	30 Å²	30	92.6 Å²	92.6	13%	0.132	43%	0.429	C	S	.	.	H	α-helix	trans	-67	-52.8	174	-176.9	-103	0	0	0	111.8	L35 K201 F202 R207 S208 L209 I286 I289 L290 I293	L35-F205 HydrophobicContact CD1-CE1 4.29Å; L35-F205 HydrophobicContact CD1-CE2 4.48Å; L35-F205 HydrophobicContact CD1-CZ 3.83Å; K201-F205 PolarHBondContact O-N 3.33Å; F202-F205 PolarHBondContact O-N 3.19Å; F205-R207 VanDerWaalsContact C-N 3.31Å; F205-R207 PolarHBondContact O-N 2.7Å; F205-S208 WeakPolarHBondContact O-CA 3.42Å; F205-S208 WeakPolarHBondContact O-CB 3.48Å; F205-S208 PolarHBondContact O-N 3.47Å; F205-L209 HydrophobicContact CE1-CD1 4.47Å; F205-L209 HydrophobicContact CZ-CD1 4.36Å; F205-L209 PolarHBondContact O-N 3.35Å; F205-I286 HydrophobicContact CE2-CG1 4.44Å; F205-I286 HydrophobicContact CE2-CG2 4.34Å; F205-I286 HydrophobicContact CZ-CG1 4.37Å; F205-I286 HydrophobicContact CZ-CG2 4.46Å; F205-I289 HydrophobicContact CD2-CG2 4.12Å; F205-L290 HydrophobicContact CD2-CD2 4Å; F205-L290 HydrophobicContact CD2-CG 4.49Å; F205-L290 HydrophobicContact CE2-CD2 4.25Å; F205-L290 HydrophobicContact CE2-CG 4.37Å; F205-I293 HydrophobicContact CB-CD1 4.03Å
206	R	92	Very high	88.2	Confident	164 Å²	164	91.2 Å²	91.2	62%	0.619	42%	0.42	S	S	*	.	H	α-helix	trans	-56.2	-41.9	-179.8	-177.7	178.7	177	-177.6	0.4	112.6	F202 S208 L209	F202-R206 VanDerWaalsContact O-CB 3.23Å; F202-R206 WeakPolarHBondContact O-CB 3.33Å; F202-R206 PolarHBondContact O-N 3.42Å; R206-S208 VanDerWaalsContact C-N 3.27Å; R206-S208 PolarHBondContact O-N 2.64Å; R206-L209 PolarHBondContact O-N 3.35Å
207	R	88.7	Confident	89.4	Confident	195 Å²	195	85.2 Å²	85.2	74%	0.736	39%	0.392	S	S	*	.	H	α-helix	trans	-63.1	-32.9	175.2	-176	178.8	-179.3	-175.9	2.5	112.7	L203 F205	L203-R207 VanDerWaalsContact O-CB 3.29Å; L203-R207 WeakPolarHBondContact O-CB 3.34Å; L203-R207 PolarHBondContact O-N 2.92Å; F205-R207 VanDerWaalsContact C-N 3.31Å; F205-R207 PolarHBondContact O-N 2.7Å
208	S	88.7	Confident	90.3	Very high	33 Å²	33	82.4 Å²	82.4	23%	0.231	38%	0.38	C	S	.	.	H	α-helix	trans	-81.8	-26.5	-179	-53.2	0	0	0	0	112.6	R204 F205 R206 L210 L211 L212	R204-S208 PolarHBondContact O-N 3.42Å; R204-S208 PolarHBondContact O-OG 2.93Å; F205-S208 WeakPolarHBondContact O-CA 3.42Å; F205-S208 WeakPolarHBondContact O-CB 3.48Å; F205-S208 PolarHBondContact O-N 3.47Å; R206-S208 VanDerWaalsContact C-N 3.27Å; R206-S208 PolarHBondContact O-N 2.64Å; S208-L210 PolarHBondContact O-N 3.33Å; S208-L211 PolarHBondContact O-N 3.47Å; S208-L212 WeakPolarHBondContact O-CB 3.34Å; S208-L212 PolarHBondContact O-N 3.25Å
209	L	90.9	Very high	91.2	Very high	66 Å²	66	79.9 Å²	79.9	35%	0.346	37%	0.368	S	S	.	.	H	α-helix	trans	-59.2	-43.7	-171	-175.6	63.1	0	0	0	114.7	F205 R206 L211 L212 V213 M282	F205-L209 HydrophobicContact CE1-CD1 4.47Å; F205-L209 HydrophobicContact CZ-CD1 4.36Å; F205-L209 PolarHBondContact O-N 3.35Å; R206-L209 PolarHBondContact O-N 3.35Å; L209-L211 VanDerWaalsContact C-N 3.35Å; L209-L211 PolarHBondContact O-N 3.4Å; L209-L212 HydrophobicContact CD1-CD2 4.37Å; L209-L212 VanDerWaalsContact O-CB 3.3Å; L209-L212 WeakPolarHBondContact O-CB 3.38Å; L209-L212 PolarHBondContact O-N 2.76Å; L209-V213 WeakPolarHBondContact O-CG2 3.35Å; L209-V213 PolarHBondContact O-N 2.87Å; L209-M282 HydrophobicContact CD1-CE 4.48Å
210	L	91.4	Very high	92	Very high	142 Å²	142	75.7 Å²	75.7	74%	0.743	35%	0.349	S	S	*	.	H	α-helix	trans	-66.7	-39.5	178.5	-179.8	63.5	0	0	0	111.8	S208 L212 K214	S208-L210 PolarHBondContact O-N 3.33Å; L210-L212 VanDerWaalsContact C-N 3.31Å; L210-K214 PolarHBondContact O-N 3.09Å; L210-K214 VanDerWaalsContact O-N 3.12Å
211	L	91.8	Very high	92.5	Very high	52 Å²	52	71.1 Å²	71.1	27%	0.272	34%	0.337	S	S	.	.	H	α-helix	trans	-66.7	-37.4	176	177.7	57.7	0	0	0	111.1	S208 L209 K214 H215 G620 L622	S208-L211 PolarHBondContact O-N 3.47Å; L209-L211 VanDerWaalsContact C-N 3.35Å; L209-L211 PolarHBondContact O-N 3.4Å; L211-K214 PolarHBondContact O-N 2.99Å; L211-H215 VanDerWaalsContact O-CB 3.31Å; L211-H215 WeakPolarHBondContact O-CB 3.42Å; L211-H215 PolarHBondContact O-N 3.3Å; L211-G620 WeakPolarHBondContact CD1-O 3.35Å; L211-L622 HydrophobicContact CD2-CB 4.4Å; L211-L622 HydrophobicContact CD2-CD1 4.24Å; L211-L622 HydrophobicContact CG-CB 4.35Å; L211-L622 HydrophobicContact CG-CD1 4.05Å
212	L	94.1	Very high	92.8	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.6	-52.7	175.1	-171.8	66	0	0	0	111.9	S208 L209 L210 K214 H215 S216 M282 Y285 I286 I289 L622	S208-L212 WeakPolarHBondContact O-CB 3.34Å; S208-L212 PolarHBondContact O-N 3.25Å; L209-L212 HydrophobicContact CD1-CD2 4.37Å; L209-L212 VanDerWaalsContact O-CB 3.3Å; L209-L212 WeakPolarHBondContact O-CB 3.38Å; L209-L212 PolarHBondContact O-N 2.76Å; L210-L212 VanDerWaalsContact C-N 3.31Å; L212-K214 VanDerWaalsContact C-N 3.33Å; L212-K214 PolarHBondContact O-N 2.65Å; L212-H215 PolarHBondContact O-N 2.8Å; L212-H215 VanDerWaalsContact O-N 3.15Å; L212-S216 PolarHBondContact O-N 3.34Å; L212-S216 PolarHBondContact O-OG 2.79Å; L212-S216 VanDerWaalsContact O-OG 3.12Å; L212-M282 HydrophobicContact CD2-CE 3.9Å; L212-M282 HydrophobicContact CD2-SD 4.37Å; L212-M282 HydrophobicContact CG-CE 4.07Å; L212-M282 HydrophobicContact CG-SD 3.92Å; L212-Y285 HydrophobicContact CD1-CD2 4.32Å; L212-Y285 HydrophobicContact CD1-CG 4.04Å; L212-I286 HydrophobicContact CD2-CG1 3.67Å; L212-I289 HydrophobicContact CD1-CD1 3.5Å; L212-I289 VanDerWaalsContact CD1-CD1 3.5Å; L212-I289 HydrophobicContact CD2-CD1 4.06Å; L212-I289 HydrophobicContact CG-CD1 4.25Å; L212-L622 HydrophobicContact CB-CD1 4.45Å; L212-L622 HydrophobicContact CD1-CD1 4.13Å; L212-L622 HydrophobicContact CD1-CD2 3.69Å
213	V	94.6	Very high	93.2	Very high	62 Å²	62	66.7 Å²	66.7	38%	0.376	32%	0.318	S	S	.	.	H	α-helix	trans	-56.8	-48.4	176.9	173.4	0	0	0	0	110.5	L209 H215 S216 C217 M282	L209-V213 WeakPolarHBondContact O-CG2 3.35Å; L209-V213 PolarHBondContact O-N 2.87Å; V213-H215 VanDerWaalsContact C-N 3.33Å; V213-H215 PolarHBondContact O-N 3.17Å; V213-S216 PolarHBondContact O-N 3.21Å; V213-C217 WeakPolarHBondContact O-CB 3.33Å; V213-C217 PolarHBondContact O-N 3.08Å; V213-C217 PolarHBondContact O-SG 3.34Å; V213-M282 HydrophobicContact CB-SD 4.38Å; V213-M282 HydrophobicContact CG2-CE 3.62Å; V213-M282 HydrophobicContact CG2-SD 3.98Å
214	K	94.6	Very high	93.5	Very high	147 Å²	147	62.9 Å²	62.9	64%	0.639	30%	0.299	S	S	*	.	H	α-helix	trans	-59.4	-42.7	177.1	-176.4	178.7	177.9	179.2	0	112.3	L210 L211 L212 V218	L210-K214 PolarHBondContact O-N 3.09Å; L210-K214 VanDerWaalsContact O-N 3.12Å; L211-K214 PolarHBondContact O-N 2.99Å; L212-K214 VanDerWaalsContact C-N 3.33Å; L212-K214 PolarHBondContact O-N 2.65Å; K214-V218 WeakPolarHBondContact O-CB 3.28Å; K214-V218 VanDerWaalsContact O-CG2 3.31Å; K214-V218 WeakPolarHBondContact O-CG2 3.45Å; K214-V218 PolarHBondContact O-N 2.96Å; K214-V218 VanDerWaalsContact O-N 3.16Å
215	H	93.6	Very high	93.9	Very high	49 Å²	49	67.4 Å²	67.4	23%	0.227	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-54.8	179.8	-165.3	-83.6	0	0	0	110.9	L211 L212 V213 C217 V218 E219 Y285 L622	L211-H215 VanDerWaalsContact O-CB 3.31Å; L211-H215 WeakPolarHBondContact O-CB 3.42Å; L211-H215 PolarHBondContact O-N 3.3Å; L212-H215 PolarHBondContact O-N 2.8Å; L212-H215 VanDerWaalsContact O-N 3.15Å; V213-H215 VanDerWaalsContact C-N 3.33Å; V213-H215 PolarHBondContact O-N 3.17Å; H215-C217 VanDerWaalsContact C-N 3.33Å; H215-C217 PolarHBondContact O-N 3.42Å; H215-V218 PolarHBondContact O-N 3.12Å; H215-E219 IonicContact CE1-OE2 2.71Å; H215-E219 PolarHBondContact CE1-OE2 3.18Å; H215-E219 IonicContact ND1-OE2 3.35Å; H215-E219 PolarHBondContact ND1-OE2 2.72Å; H215-E219 WeakPolarHBondContact O-CB 3.2Å; H215-E219 PolarHBondContact O-N 2.9Å; H215-Y285 AromaticContact ND1-CE2 3.82Å; H215-L622 HydrophobicContact CB-CB 4.44Å; H215-L622 HydrophobicContact CB-CD2 4.03Å
216	S	96.6	Very high	94	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.1	-42	179.9	-57.4	0	0	0	0	112.5	L212 V213 S220 M282	L212-S216 PolarHBondContact O-N 3.34Å; L212-S216 PolarHBondContact O-OG 2.79Å; L212-S216 VanDerWaalsContact O-OG 3.12Å; V213-S216 PolarHBondContact O-N 3.21Å; S216-S220 WeakPolarHBondContact O-CB 3.38Å; S216-S220 PolarHBondContact O-N 3.13Å; S216-M282 PolarHBondContact OG-SD 3.44Å
217	C	96.6	Very high	94.2	Very high	33 Å²	33	61.6 Å²	61.6	22%	0.223	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-48.9	176.5	-71.9	0	0	0	0	112.8	V213 H215 L221 W274 V278	V213-C217 WeakPolarHBondContact O-CB 3.33Å; V213-C217 PolarHBondContact O-N 3.08Å; V213-C217 PolarHBondContact O-SG 3.34Å; H215-C217 VanDerWaalsContact C-N 3.33Å; H215-C217 PolarHBondContact O-N 3.42Å; C217-L221 WeakPolarHBondContact O-CG 3.34Å; C217-L221 PolarHBondContact O-N 2.97Å; C217-W274 HydrophobicContact CB-CZ2 4.26Å; C217-W274 PolarHBondContact O-NE1 3.21Å; C217-W274 VanDerWaalsContact O-NE1 3.08Å; C217-V278 HydrophobicContact CB-CG2 4.49Å
218	V	95.6	Very high	94.5	Very high	66 Å²	66	53.1 Å²	53.1	40%	0.4	27%	0.268	S	S	.	.	H	α-helix	trans	-71.3	-42.8	-177.5	170.5	0	0	0	0	111.5	K214 H215 L221 F222	K214-V218 WeakPolarHBondContact O-CB 3.28Å; K214-V218 VanDerWaalsContact O-CG2 3.31Å; K214-V218 WeakPolarHBondContact O-CG2 3.45Å; K214-V218 PolarHBondContact O-N 2.96Å; K214-V218 VanDerWaalsContact O-N 3.16Å; H215-V218 PolarHBondContact O-N 3.12Å; V218-L221 PolarHBondContact O-N 3.32Å; V218-F222 HydrophobicContact CG1-CD2 3.85Å; V218-F222 HydrophobicContact CG1-CE2 3.55Å; V218-F222 WeakPolarHBondContact O-CD2 3.5Å; V218-F222 PolarHBondContact O-N 3.07Å; V218-F222 VanDerWaalsContact O-N 3.15Å
219	E	95.2	Very high	94.6	Very high	20 Å²	20	56 Å²	56	9%	0.093	28%	0.28	C	S	.	.	H	α-helix	trans	-66.3	-41.9	178.5	-176.1	170.6	-154.8	0	0	111.6	L183 H215 L221 F222 L223 L281 Y285	L183-E219 VanDerWaalsContact CD1-OE1 3.24Å; L183-E219 WeakPolarHBondContact CD1-OE1 3.42Å; H215-E219 IonicContact CE1-OE2 2.71Å; H215-E219 PolarHBondContact CE1-OE2 3.18Å; H215-E219 IonicContact ND1-OE2 3.35Å; H215-E219 PolarHBondContact ND1-OE2 2.72Å; H215-E219 WeakPolarHBondContact O-CB 3.2Å; H215-E219 PolarHBondContact O-N 2.9Å; E219-L221 VanDerWaalsContact C-N 3.33Å; E219-L221 PolarHBondContact O-N 3.49Å; E219-F222 WeakPolarHBondContact O-CB 3.28Å; E219-F222 PolarHBondContact O-N 2.87Å; E219-F222 VanDerWaalsContact O-N 3.1Å; E219-L223 HydrophobicContact CG-CD1 4.39Å; E219-L223 HydrophobicContact CG-CG 4.43Å; E219-L223 WeakPolarHBondContact O-CG 3.48Å; E219-L223 PolarHBondContact O-N 2.94Å; E219-L281 HydrophobicContact CB-CD1 3.99Å; E219-L281 HydrophobicContact CG-CD1 3.89Å; E219-Y285 VanDerWaalsContact CD-OH 3.31Å; E219-Y285 PolarHBondContact OE1-OH 3.36Å; E219-Y285 VanDerWaalsContact OE1-OH 3.11Å; E219-Y285 VanDerWaalsContact OE2-CE2 3.25Å; E219-Y285 WeakPolarHBondContact OE2-CE2 3.4Å; E219-Y285 PolarHBondContact OE2-OH 3.03Å
220	S	97.4	Very high	94.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.3	-44.5	172.9	178.7	0	0	0	0	111.8	S216 F222 L223 V224 W274 G277 V278	S216-S220 WeakPolarHBondContact O-CB 3.38Å; S216-S220 PolarHBondContact O-N 3.13Å; S220-F222 VanDerWaalsContact C-N 3.31Å; S220-F222 PolarHBondContact O-N 2.91Å; S220-L223 PolarHBondContact O-N 2.92Å; S220-L223 VanDerWaalsContact O-N 3.16Å; S220-V224 WeakPolarHBondContact O-CG2 3.33Å; S220-V224 PolarHBondContact O-N 3.4Å; S220-W274 VanDerWaalsContact OG-CD1 3.25Å; S220-W274 PolarHBondContact OG-O 2.89Å; S220-G277 WeakPolarHBondContact OG-CA 3.38Å; S220-V278 PolarHBondContact OG-N 3.32Å
221	L	96.1	Very high	94.7	Very high	98 Å²	98	50 Å²	50	51%	0.513	25%	0.248	S	C	.	.	H	α-helix	trans	-57.8	-42.8	174.7	-71.1	171.4	0	0	0	112.1	C217 V218 E219 R225 W274	C217-L221 WeakPolarHBondContact O-CG 3.34Å; C217-L221 PolarHBondContact O-N 2.97Å; V218-L221 PolarHBondContact O-N 3.32Å; E219-L221 VanDerWaalsContact C-N 3.33Å; E219-L221 PolarHBondContact O-N 3.49Å; L221-R225 VanDerWaalsContact O-CB 3.32Å; L221-R225 WeakPolarHBondContact O-CB 3.16Å; L221-R225 PolarHBondContact O-N 3.13Å; L221-W274 VanDerWaalsContact CD2-CD1 3.46Å; L221-W274 HydrophobicContact CD2-CD2 4.24Å; L221-W274 HydrophobicContact CD2-CG 3.87Å; L221-W274 HydrophobicContact CG-CG 4.49Å
222	F	95.6	Very high	94.7	Very high	104 Å²	104	52.4 Å²	52.4	46%	0.456	25%	0.254	S	S	.	.	H	α-helix	trans	-64.9	-41.2	176.2	-77.7	-61.8	0	0	0	112.4	V218 E219 S220 N226	V218-F222 HydrophobicContact CG1-CD2 3.85Å; V218-F222 HydrophobicContact CG1-CE2 3.55Å; V218-F222 WeakPolarHBondContact O-CD2 3.5Å; V218-F222 PolarHBondContact O-N 3.07Å; V218-F222 VanDerWaalsContact O-N 3.15Å; E219-F222 WeakPolarHBondContact O-CB 3.28Å; E219-F222 PolarHBondContact O-N 2.87Å; E219-F222 VanDerWaalsContact O-N 3.1Å; S220-F222 VanDerWaalsContact C-N 3.31Å; S220-F222 PolarHBondContact O-N 2.91Å; F222-N226 WeakPolarHBondContact O-CB 3.45Å; F222-N226 PolarHBondContact O-N 3.01Å; F222-N226 PolarHBondContact O-ND2 3.35Å; F222-N226 PolarHBondContact O-OD1 3.11Å
223	L	96.6	Very high	94.5	Very high	9 Å²	9	59.8 Å²	59.8	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-45.5	177.5	-65.9	-177.1	0	0	0	111.9	F175 M176 S179 E219 S220 N226 F227 L281	F175-L223 HydrophobicContact CE1-CB 4.43Å; F175-L223 HydrophobicContact CE1-CD2 4.32Å; F175-L223 WeakPolarHBondContact CE1-O 3.22Å; M176-L223 HydrophobicContact CB-CD1 4.28Å; M176-L223 HydrophobicContact CG-CB 4.09Å; M176-L223 HydrophobicContact CG-CD1 4.01Å; S179-L223 VanDerWaalsContact CB-CD2 3.48Å; E219-L223 HydrophobicContact CG-CD1 4.39Å; E219-L223 HydrophobicContact CG-CG 4.43Å; E219-L223 WeakPolarHBondContact O-CG 3.48Å; E219-L223 PolarHBondContact O-N 2.94Å; S220-L223 PolarHBondContact O-N 2.92Å; S220-L223 VanDerWaalsContact O-N 3.16Å; L223-N226 PolarHBondContact O-N 3.35Å; L223-F227 WeakPolarHBondContact O-CB 3.49Å; L223-F227 PolarHBondContact O-N 3.04Å; L223-L281 HydrophobicContact CD1-CD1 4.21Å; L223-L281 HydrophobicContact CD1-CD2 4.5Å
224	V	95.9	Very high	94.4	Very high	11 Å²	11	60.9 Å²	60.9	7%	0.067	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-48.1	176.2	173.4	0	0	0	0	110.7	S220 N226 F227 C228 L270 V273 W274	S220-V224 WeakPolarHBondContact O-CG2 3.33Å; S220-V224 PolarHBondContact O-N 3.4Å; V224-N226 VanDerWaalsContact C-N 3.32Å; V224-N226 PolarHBondContact O-N 3.25Å; V224-F227 PolarHBondContact O-N 3.17Å; V224-F227 VanDerWaalsContact O-N 3.16Å; V224-C228 PolarHBondContact O-N 3.18Å; V224-C228 PolarHBondContact O-SG 2.95Å; V224-L270 HydrophobicContact CG1-CD2 4.06Å; V224-V273 HydrophobicContact CG2-CG1 4.04Å; V224-W274 HydrophobicContact CG2-CB 4.34Å
225	R	94.7	Very high	94	Very high	135 Å²	135	54 Å²	54	51%	0.509	26%	0.261	S	S	.	.	H	α-helix	trans	-56.2	-46.2	175.8	-175.9	-160	68.2	-176.9	0.5	112	L221 I229	L221-R225 VanDerWaalsContact O-CB 3.32Å; L221-R225 WeakPolarHBondContact O-CB 3.16Å; L221-R225 PolarHBondContact O-N 3.13Å; R225-I229 WeakPolarHBondContact O-CG1 3.44Å; R225-I229 PolarHBondContact O-N 3.19Å
226	N	94.1	Very high	93.7	Very high	63 Å²	63	58.9 Å²	58.9	34%	0.337	28%	0.278	S	S	.	.	H	α-helix	trans	-68.2	-36.5	179.7	-63.9	-10.8	0	0	0	111.6	F175 F222 L223 V224 I229 L230	F175-N226 HydrophobicContact CE1-CB 4.36Å; F175-N226 HydrophobicContact CZ-CB 4.14Å; F222-N226 WeakPolarHBondContact O-CB 3.45Å; F222-N226 PolarHBondContact O-N 3.01Å; F222-N226 PolarHBondContact O-ND2 3.35Å; F222-N226 PolarHBondContact O-OD1 3.11Å; L223-N226 PolarHBondContact O-N 3.35Å; V224-N226 VanDerWaalsContact C-N 3.32Å; V224-N226 PolarHBondContact O-N 3.25Å; N226-I229 PolarHBondContact O-N 3.09Å; N226-L230 PolarHBondContact O-N 3Å
227	F	95.8	Very high	93.4	Very high	9 Å²	9	64 Å²	64	4%	0.039	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-42.7	175.9	-179.8	-108.9	0	0	0	112.3	F168 L171 A172 F175 L223 V224 I229 L230 Y231	F168-F227 HydrophobicContact CD1-CE1 4.08Å; F168-F227 AromaticContact CD2-CE1 3.87Å; F168-F227 HydrophobicContact CD2-CE1 3.87Å; F168-F227 HydrophobicContact CE1-CD1 4.09Å; F168-F227 AromaticContact CE1-CE1 3.79Å; F168-F227 HydrophobicContact CE1-CE1 3.79Å; F168-F227 HydrophobicContact CE2-CD1 4.11Å; F168-F227 AromaticContact CE2-CE1 3.56Å; F168-F227 HydrophobicContact CE2-CE1 3.56Å; F168-F227 HydrophobicContact CE2-CZ 4.48Å; F168-F227 HydrophobicContact CG-CE1 4.12Å; F168-F227 AromaticContact CZ-CD1 3.72Å; F168-F227 HydrophobicContact CZ-CD1 3.72Å; F168-F227 AromaticContact CZ-CE1 3.52Å; F168-F227 HydrophobicContact CZ-CE1 3.52Å; L171-F227 HydrophobicContact CB-CE2 4.02Å; L171-F227 HydrophobicContact CB-CZ 3.64Å; A172-F227 HydrophobicContact CB-CD1 3.75Å; A172-F227 HydrophobicContact CB-CE1 3.58Å; A172-F227 HydrophobicContact CB-CG 4.37Å; A172-F227 HydrophobicContact CB-CZ 4.07Å; A172-F227 VanDerWaalsContact N-CZ 3.32Å; F175-F227 HydrophobicContact CB-CD2 3.57Å; F175-F227 HydrophobicContact CB-CE2 4.02Å; F175-F227 HydrophobicContact CB-CG 4.43Å; F175-F227 HydrophobicContact CD1-CB 3.66Å; F175-F227 AromaticContact CD1-CD2 3.93Å; F175-F227 HydrophobicContact CD1-CD2 3.93Å; F175-F227 HydrophobicContact CD1-CG 4.16Å; F175-F227 HydrophobicContact CD2-CD2 4.25Å; F175-F227 HydrophobicContact CE1-CB 3.9Å; F175-F227 HydrophobicContact CG-CB 4.25Å; F175-F227 AromaticContact CG-CD2 3.64Å; F175-F227 HydrophobicContact CG-CD2 3.64Å; F175-F227 HydrophobicContact CG-CG 4.34Å; L223-F227 WeakPolarHBondContact O-CB 3.49Å; L223-F227 PolarHBondContact O-N 3.04Å; V224-F227 PolarHBondContact O-N 3.17Å; V224-F227 VanDerWaalsContact O-N 3.16Å; F227-I229 VanDerWaalsContact C-N 3.3Å; F227-I229 PolarHBondContact O-N 3.06Å; F227-L230 WeakPolarHBondContact O-CB 3.36Å; F227-L230 PolarHBondContact O-N 3.3Å; F227-L230 VanDerWaalsContact O-N 3.1Å; F227-Y231 HydrophobicContact CE1-CD2 4.3Å; F227-Y231 AromaticContact CZ-CD2 3.85Å; F227-Y231 HydrophobicContact CZ-CD2 3.85Å; F227-Y231 HydrophobicContact CZ-CG 4.49Å; F227-Y231 WeakPolarHBondContact O-CB 3.29Å; F227-Y231 PolarHBondContact O-N 2.95Å
228	C	93.6	Very high	93.1	Very high	16 Å²	16	64 Å²	64	11%	0.108	30%	0.304	C	S	.	.	H	α-helix	trans	-56.1	-45.2	174	-69.9	0	0	0	0	111.5	V224 L230 Y231 Y232 L264 L270	V224-C228 PolarHBondContact O-N 3.18Å; V224-C228 PolarHBondContact O-SG 2.95Å; C228-L230 PolarHBondContact O-N 3.36Å; C228-Y231 PolarHBondContact O-N 3.3Å; C228-Y232 WeakPolarHBondContact O-CB 3.27Å; C228-Y232 PolarHBondContact O-N 3.33Å; C228-L264 HydrophobicContact CB-CD1 4.21Å; C228-L264 HydrophobicContact CB-CD2 4.02Å; C228-L264 HydrophobicContact CB-CG 4.17Å; C228-L264 WeakPolarHBondContact O-CD2 3.44Å; C228-L270 VanDerWaalsContact SG-CD2 3.54Å
229	I	92.4	Very high	92.7	Very high	95 Å²	95	61.4 Å²	61.4	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-44.3	175.7	-63.2	164.7	0	0	0	110.6	R225 N226 F227 Y232 F233	R225-I229 WeakPolarHBondContact O-CG1 3.44Å; R225-I229 PolarHBondContact O-N 3.19Å; N226-I229 PolarHBondContact O-N 3.09Å; F227-I229 VanDerWaalsContact C-N 3.3Å; F227-I229 PolarHBondContact O-N 3.06Å; I229-Y232 PolarHBondContact O-N 3.42Å; I229-F233 HydrophobicContact CG2-CD2 4.27Å; I229-F233 HydrophobicContact CG2-CE2 4.1Å; I229-F233 VanDerWaalsContact O-CD2 3.23Å; I229-F233 WeakPolarHBondContact O-CD2 3.36Å; I229-F233 PolarHBondContact O-N 3.16Å
230	L	92.8	Very high	92.3	Very high	75 Å²	75	61.6 Å²	61.6	39%	0.393	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-46.2	178.3	-169.6	75.8	0	0	0	111.9	F175 N226 F227 C228 F233 L234	F175-L230 HydrophobicContact CD2-CD2 3.73Å; F175-L230 HydrophobicContact CE2-CD2 3.88Å; N226-L230 PolarHBondContact O-N 3Å; F227-L230 WeakPolarHBondContact O-CB 3.36Å; F227-L230 PolarHBondContact O-N 3.3Å; F227-L230 VanDerWaalsContact O-N 3.1Å; C228-L230 PolarHBondContact O-N 3.36Å; L230-F233 PolarHBondContact O-N 3.3Å; L230-L234 HydrophobicContact CD1-CD1 3.6Å; L230-L234 HydrophobicContact CG-CD1 4.12Å; L230-L234 WeakPolarHBondContact O-CB 3.48Å; L230-L234 PolarHBondContact O-N 2.94Å
231	Y	91.9	Very high	92	Very high	5 Å²	5	70 Å²	70	2%	0.02	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-39.2	-179.9	-168.2	-85.5	0	0	0	111.6	F168 L171 F227 C228 F233 L234 G235 L258 L264	F168-Y231 AromaticContact CD2-CD1 3.9Å; F168-Y231 HydrophobicContact CD2-CD1 3.9Å; F168-Y231 AromaticContact CD2-CD2 3.74Å; F168-Y231 HydrophobicContact CD2-CD2 3.74Å; F168-Y231 AromaticContact CD2-CE1 3.95Å; F168-Y231 HydrophobicContact CD2-CE1 3.95Å; F168-Y231 AromaticContact CD2-CE2 3.79Å; F168-Y231 HydrophobicContact CD2-CE2 3.79Å; F168-Y231 AromaticContact CD2-CG 3.79Å; F168-Y231 HydrophobicContact CD2-CG 3.79Å; F168-Y231 AromaticContact CD2-CZ 3.89Å; F168-Y231 AromaticContact CE2-CD1 3.88Å; F168-Y231 HydrophobicContact CE2-CD1 3.88Å; F168-Y231 HydrophobicContact CE2-CD2 4.06Å; F168-Y231 HydrophobicContact CE2-CE1 4.38Å; F168-Y231 AromaticContact CE2-CG 3.7Å; F168-Y231 HydrophobicContact CE2-CG 3.7Å; L171-Y231 HydrophobicContact CD1-CD2 4.38Å; L171-Y231 HydrophobicContact CD1-CE2 3.91Å; F227-Y231 HydrophobicContact CE1-CD2 4.3Å; F227-Y231 AromaticContact CZ-CD2 3.85Å; F227-Y231 HydrophobicContact CZ-CD2 3.85Å; F227-Y231 HydrophobicContact CZ-CG 4.49Å; F227-Y231 WeakPolarHBondContact O-CB 3.29Å; F227-Y231 PolarHBondContact O-N 2.95Å; C228-Y231 PolarHBondContact O-N 3.3Å; Y231-F233 PolarHBondContact O-N 3.32Å; Y231-L234 PolarHBondContact O-N 2.82Å; Y231-G235 VanDerWaalsContact O-CA 3.23Å; Y231-G235 WeakPolarHBondContact O-CA 3.33Å; Y231-G235 PolarHBondContact O-N 2.89Å; Y231-L258 HydrophobicContact CE1-CB 3.73Å; Y231-L264 HydrophobicContact CD1-CD1 4.4Å
232	Y	90.7	Very high	91.7	Very high	104 Å²	104	66.4 Å²	66.4	41%	0.408	31%	0.305	S	S	.	.	H	α-helix	trans	-57.7	-35.5	176	179.9	-106.9	0	0	0	113.4	C228 I229 D259 V261	C228-Y232 WeakPolarHBondContact O-CB 3.27Å; C228-Y232 PolarHBondContact O-N 3.33Å; I229-Y232 PolarHBondContact O-N 3.42Å; Y232-D259 WeakPolarHBondContact CE2-O 3.19Å; Y232-V261 HydrophobicContact CE2-CG2 3.87Å
233	F	90.3	Very high	91.3	Very high	155 Å²	155	62.4 Å²	62.4	68%	0.68	29%	0.29	S	S	*	.	H	α-helix	trans	-91.8	-24.8	179.3	-70.4	-66.4	0	0	0	114.7	I229 L230 Y231	I229-F233 HydrophobicContact CG2-CD2 4.27Å; I229-F233 HydrophobicContact CG2-CE2 4.1Å; I229-F233 VanDerWaalsContact O-CD2 3.23Å; I229-F233 WeakPolarHBondContact O-CD2 3.36Å; I229-F233 PolarHBondContact O-N 3.16Å; L230-F233 PolarHBondContact O-N 3.3Å; Y231-F233 PolarHBondContact O-N 3.32Å
234	L	91.5	Very high	90.9	Very high	85 Å²	85	66.5 Å²	66.5	45%	0.445	32%	0.316	S	S	.	.	H	α-helix	trans	-129.1	-6.6	-168	-66.2	160.1	0	0	0	114.4	L230 Y231 Y236 I237 P238	L230-L234 HydrophobicContact CD1-CD1 3.6Å; L230-L234 HydrophobicContact CG-CD1 4.12Å; L230-L234 WeakPolarHBondContact O-CB 3.48Å; L230-L234 PolarHBondContact O-N 2.94Å; Y231-L234 PolarHBondContact O-N 2.82Å; L234-Y236 VanDerWaalsContact C-N 3.31Å; L234-Y236 PolarHBondContact O-N 2.91Å; L234-I237 HydrophobicContact CD2-CD1 3.71Å; L234-I237 WeakPolarHBondContact O-CB 3.47Å; L234-I237 PolarHBondContact O-N 3.19Å; L234-P238 WeakPolarHBondContact O-CD 3.26Å
235	G	86.6	Confident	90.6	Very high	2 Å²	2	69 Å²	69	2%	0.021	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.5	-173.2	0	0	0	0	0	114.4	Y231 I237 P238 K239	Y231-G235 VanDerWaalsContact O-CA 3.23Å; Y231-G235 WeakPolarHBondContact O-CA 3.33Å; Y231-G235 PolarHBondContact O-N 2.89Å; G235-I237 PolarHBondContact O-N 3.27Å; G235-P238 VanDerWaalsContact O-CD 3.22Å; G235-P238 WeakPolarHBondContact O-CD 3.44Å; G235-P238 WeakPolarHBondContact O-CG 3.18Å; G235-K239 VanDerWaalsContact O-CB 3.29Å; G235-K239 WeakPolarHBondContact O-CB 3.18Å; G235-K239 PolarHBondContact O-N 2.89Å
236	Y	87	Confident	90.2	Very high	152 Å²	152	67.2 Å²	67.2	60%	0.596	34%	0.336	S	S	*	.	H	α-helix	trans	-56.1	-33.9	171.2	-179.7	-98.6	0	0	0	113.1	L234 K239 A240	L234-Y236 VanDerWaalsContact C-N 3.31Å; L234-Y236 PolarHBondContact O-N 2.91Å; Y236-K239 PolarHBondContact O-N 3.41Å; Y236-A240 HydrophobicContact CD1-CB 4.47Å; Y236-A240 HydrophobicContact CE1-CB 4.03Å; Y236-A240 HydrophobicContact CE2-CB 4.39Å; Y236-A240 VanDerWaalsContact O-CB 3.27Å; Y236-A240 WeakPolarHBondContact O-CB 3.37Å; Y236-A240 PolarHBondContact O-N 2.99Å
237	I	90.8	Very high	89.8	Confident	107 Å²	107	70.8 Å²	70.8	55%	0.549	36%	0.355	S	S	.	.	H	α-helix	trans	-63.2	-58.9	-176.2	-57.4	173.7	0	0	0	112	L234 G235 K239 W241	L234-I237 HydrophobicContact CD2-CD1 3.71Å; L234-I237 WeakPolarHBondContact O-CB 3.47Å; L234-I237 PolarHBondContact O-N 3.19Å; G235-I237 PolarHBondContact O-N 3.27Å; I237-K239 VanDerWaalsContact C-N 3.3Å; I237-K239 PolarHBondContact O-N 3.23Å; I237-W241 WeakPolarHBondContact O-CB 3.37Å; I237-W241 PolarHBondContact O-N 3.5Å
238	P	90.4	Very high	89.2	Confident	34 Å²	34	70.9 Å²	70.9	22%	0.221	36%	0.356	C	S	.	.	H	α-helix	trans	-65.9	-31.7	176.4	26.4	-34.7	0	0	0	112.6	L171 L234 G235 W241 I242	L171-P238 HydrophobicContact CD1-CB 4Å; L171-P238 HydrophobicContact CD1-CG 3.61Å; L171-P238 HydrophobicContact CD2-CB 4.27Å; L171-P238 HydrophobicContact CD2-CG 4.42Å; L234-P238 WeakPolarHBondContact O-CD 3.26Å; G235-P238 VanDerWaalsContact O-CD 3.22Å; G235-P238 WeakPolarHBondContact O-CD 3.44Å; G235-P238 WeakPolarHBondContact O-CG 3.18Å; P238-W241 PolarHBondContact O-N 2.87Å; P238-I242 WeakPolarHBondContact O-CB 3.38Å; P238-I242 VanDerWaalsContact O-CG1 3.31Å; P238-I242 WeakPolarHBondContact O-CG1 3.21Å; P238-I242 PolarHBondContact O-N 3.13Å
239	K	87.1	Confident	88.6	Confident	10 Å²	10	75.2 Å²	75.2	4%	0.043	37%	0.374	C	S	.	.	H	α-helix	trans	-60.9	-52.7	176.3	178.8	177.7	176.6	175.8	0	111.7	L162 E164 L167 G235 Y236 I237 I242 S243 I250 D259	L162-K239 HydrophobicContact CD2-CG 4.31Å; E164-K239 VanDerWaalsContact CD-NZ 3.33Å; E164-K239 HydrophobicContact CG-CD 4.37Å; E164-K239 WeakPolarHBondContact OE1-CD 3.15Å; E164-K239 WeakPolarHBondContact OE1-CE 3.41Å; E164-K239 IonicContact OE1-NZ 3.79Å; E164-K239 PolarHBondContact OE1-NZ 2.62Å; E164-K239 IonicContact OE2-NZ 3.12Å; L167-K239 HydrophobicContact CD2-CB 4.26Å; G235-K239 VanDerWaalsContact O-CB 3.29Å; G235-K239 WeakPolarHBondContact O-CB 3.18Å; G235-K239 PolarHBondContact O-N 2.89Å; Y236-K239 PolarHBondContact O-N 3.41Å; I237-K239 VanDerWaalsContact C-N 3.3Å; I237-K239 PolarHBondContact O-N 3.23Å; K239-I242 PolarHBondContact O-N 3.14Å; K239-S243 VanDerWaalsContact O-CB 3.29Å; K239-S243 WeakPolarHBondContact O-CB 3.22Å; K239-S243 PolarHBondContact O-N 3.33Å; K239-I250 HydrophobicContact CG-CD1 4.5Å; K239-D259 IonicContact NZ-OD2 2.75Å; K239-D259 PolarHBondContact NZ-OD2 2.87Å
240	A	87.9	Confident	87.8	Confident	24 Å²	24	74 Å²	74	20%	0.198	37%	0.369	C	S	.	.	H	α-helix	trans	-65.4	-39.4	176.9	0	0	0	0	0	112.2	Y236 T244	Y236-A240 HydrophobicContact CD1-CB 4.47Å; Y236-A240 HydrophobicContact CE1-CB 4.03Å; Y236-A240 HydrophobicContact CE2-CB 4.39Å; Y236-A240 VanDerWaalsContact O-CB 3.27Å; Y236-A240 WeakPolarHBondContact O-CB 3.37Å; Y236-A240 PolarHBondContact O-N 2.99Å; A240-T244 WeakPolarHBondContact O-CB 3.45Å; A240-T244 WeakPolarHBondContact O-CG2 3.46Å; A240-T244 PolarHBondContact O-N 2.88Å; A240-T244 PolarHBondContact O-OG1 3.05Å
241	W	90.4	Very high	86.6	Confident	176 Å²	176	72.1 Å²	72.1	67%	0.667	36%	0.359	S	S	*	.	H	α-helix	trans	-64	-43.7	177.5	-179.2	72.4	0	0	0	112.6	I237 P238 T244 A245	I237-W241 WeakPolarHBondContact O-CB 3.37Å; I237-W241 PolarHBondContact O-N 3.5Å; P238-W241 PolarHBondContact O-N 2.87Å; W241-T244 PolarHBondContact O-OG1 2.76Å; W241-T244 VanDerWaalsContact O-OG1 3.12Å; W241-A245 WeakPolarHBondContact O-CB 3.33Å; W241-A245 PolarHBondContact O-N 3.16Å
242	I	89.5	Confident	85.3	Confident	23 Å²	23	80.2 Å²	80.2	12%	0.118	40%	0.397	C	S	.	.	H	α-helix	trans	-71.1	-43.2	178.2	-67.2	169.7	0	0	0	111	L162 L167 P238 K239 T244 A245 M246	L162-I242 HydrophobicContact CD1-CG2 3.87Å; L162-I242 HydrophobicContact CD2-CG2 4.44Å; L167-I242 HydrophobicContact CD1-CD1 3.34Å; L167-I242 HydrophobicContact CD2-CD1 4.08Å; L167-I242 HydrophobicContact CG-CD1 4.36Å; P238-I242 WeakPolarHBondContact O-CB 3.38Å; P238-I242 VanDerWaalsContact O-CG1 3.31Å; P238-I242 WeakPolarHBondContact O-CG1 3.21Å; P238-I242 PolarHBondContact O-N 3.13Å; K239-I242 PolarHBondContact O-N 3.14Å; I242-T244 VanDerWaalsContact C-N 3.33Å; I242-T244 PolarHBondContact O-N 3.42Å; I242-A245 PolarHBondContact O-N 3.25Å; I242-M246 HydrophobicContact CG2-CG 4.46Å; I242-M246 HydrophobicContact CG2-SD 3.91Å; I242-M246 WeakPolarHBondContact O-CB 3.47Å; I242-M246 PolarHBondContact O-N 2.67Å
243	S	87.1	Confident	83.8	Confident	20 Å²	20	83.5 Å²	83.5	14%	0.14	42%	0.416	C	S	.	.	H	α-helix	trans	-56.6	-46.2	176.2	165.1	0	0	0	0	111.6	K239 N247 L248	K239-S243 VanDerWaalsContact O-CB 3.29Å; K239-S243 WeakPolarHBondContact O-CB 3.22Å; K239-S243 PolarHBondContact O-N 3.33Å; S243-N247 CarbonylContact O-C 3.57Å; S243-N247 WeakPolarHBondContact O-CA 3.34Å; S243-N247 PolarHBondContact O-N 3.04Å; S243-L248 PolarHBondContact O-N 2.81Å; S243-L248 PolarHBondContact OG-O 3.3Å
244	T	88.3	Confident	82.1	Confident	96 Å²	96	79.7 Å²	79.7	59%	0.589	41%	0.405	S	S	*	.	H	α-helix	trans	-72	-41	177.3	51.5	0	0	0	0	113.2	A240 W241 I242 M246	A240-T244 WeakPolarHBondContact O-CB 3.45Å; A240-T244 WeakPolarHBondContact O-CG2 3.46Å; A240-T244 PolarHBondContact O-N 2.88Å; A240-T244 PolarHBondContact O-OG1 3.05Å; W241-T244 PolarHBondContact O-OG1 2.76Å; W241-T244 VanDerWaalsContact O-OG1 3.12Å; I242-T244 VanDerWaalsContact C-N 3.33Å; I242-T244 PolarHBondContact O-N 3.42Å; T244-M246 VanDerWaalsContact C-N 3.31Å; T244-M246 PolarHBondContact O-N 2.99Å
245	A	90.6	Very high	80.7	Confident	63 Å²	63	79.2 Å²	79.2	52%	0.521	40%	0.4	S	S	.	.	H	α-helix	trans	-67.6	-28.9	-179.9	0	0	0	0	0	113.6	W241 I242	W241-A245 WeakPolarHBondContact O-CB 3.33Å; W241-A245 PolarHBondContact O-N 3.16Å; I242-A245 PolarHBondContact O-N 3.25Å
246	M	86	Confident	79.8	Confident	98 Å²	98	87.3 Å²	87.3	48%	0.483	43%	0.43	S	S	.	.	H	α-helix	trans	-107.4	2.4	-178.8	-63.6	-175.1	66.8	0	0	114	L143 V144 I242 T244 L248	L143-M246 HydrophobicContact CD2-SD 4.36Å; V144-M246 HydrophobicContact CG2-CE 4.04Å; I242-M246 HydrophobicContact CG2-CG 4.46Å; I242-M246 HydrophobicContact CG2-SD 3.91Å; I242-M246 WeakPolarHBondContact O-CB 3.47Å; I242-M246 PolarHBondContact O-N 2.67Å; T244-M246 VanDerWaalsContact C-N 3.31Å; T244-M246 PolarHBondContact O-N 2.99Å; M246-L248 VanDerWaalsContact C-N 3.27Å; M246-L248 HydrophobicContact CB-CD1 3.77Å; M246-L248 HydrophobicContact CB-CG 3.72Å; M246-L248 HydrophobicContact CE-CD1 4.28Å; M246-L248 PolarHBondContact O-N 3.09Å; M246-L248 HydrophobicContact SD-CD1 4.11Å
247	N	84.8	Confident	79.1	Confident	138 Å²	138	82.4 Å²	82.4	74%	0.738	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	42.7	-172.1	-62.7	-56.4	0	0	0	113.4	S243	S243-N247 CarbonylContact O-C 3.57Å; S243-N247 WeakPolarHBondContact O-CA 3.34Å; S243-N247 PolarHBondContact O-N 3.04Å
248	L	84.3	Confident	78.5	Confident	10 Å²	10	77.3 Å²	77.3	5%	0.052	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-94.2	136.4	179.3	-62.6	170.5	0	0	0	111.1	V144 L162 S243 M246	V144-L248 HydrophobicContact CG1-CD2 3.79Å; V144-L248 HydrophobicContact CG2-CD1 3.85Å; V144-L248 HydrophobicContact CG2-CD2 3.99Å; L162-L248 HydrophobicContact CB-CB 4.17Å; L162-L248 HydrophobicContact CB-CD1 4.14Å; L162-L248 HydrophobicContact CD1-CD1 3.98Å; S243-L248 PolarHBondContact O-N 2.81Å; S243-L248 PolarHBondContact OG-O 3.3Å; M246-L248 VanDerWaalsContact C-N 3.27Å; M246-L248 HydrophobicContact CB-CD1 3.77Å; M246-L248 HydrophobicContact CB-CG 3.72Å; M246-L248 HydrophobicContact CE-CD1 4.28Å; M246-L248 PolarHBondContact O-N 3.09Å; M246-L248 HydrophobicContact SD-CD1 4.11Å
249	H	80.9	Confident	77.7	Confident	107 Å²	107	78 Å²	78	50%	0.495	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-75.5	156.1	171.4	-73.4	-88.4	0	0	0	111.6	T160 C161 L162	T160-H249 PolarHBondContact O-N 3.45Å; C161-H249 VanDerWaalsContact CA-O 3.29Å; C161-H249 WeakPolarHBondContact CA-O 3.46Å; L162-H249 PolarHBondContact N-O 2.76Å
250	I	74.4	Confident	77.4	Confident	71 Å²	71	80.1 Å²	80.1	36%	0.364	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-102.7	118	172	-60	174.5	0	0	0	106.6	K239 E252	K239-I250 HydrophobicContact CG-CD1 4.5Å; I250-E252 PolarHBondContact O-N 3.44Å
251	D	69	Low	77	Confident	35 Å²	35	83 Å²	83	19%	0.187	42%	0.422	C	S	.	.			trans	-79.5	96.6	177.2	-167.1	-32.9	0	0	0	109.7	T148 C161 Q253 V254	T148-D251 PolarHBondContact OG1-OD2 3.35Å; C161-D251 HydrophobicContact CB-CB 4.34Å; D251-Q253 PolarHBondContact O-N 2.71Å; D251-Q253 PolarHBondContact OD1-N 2.93Å; D251-V254 PolarHBondContact OD1-N 2.74Å; D251-V254 VanDerWaalsContact OD1-N 3.15Å
252	E	64.5	Low	76.5	Confident	174 Å²	174	77.9 Å²	77.9	81%	0.813	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-9.5	177.7	-62.3	-169.7	157.4	0	0	113.5	I250	I250-E252 PolarHBondContact O-N 3.44Å
253	Q	58.4	Low	76	Confident	174 Å²	174	76.9 Å²	76.9	81%	0.813	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-32.2	-167.7	-65.4	-168.3	-4.5	0	0	114.3	D251	D251-Q253 PolarHBondContact O-N 2.71Å; D251-Q253 PolarHBondContact OD1-N 2.93Å
254	V	55.5	Low	75.9	Confident	74 Å²	74	76.6 Å²	76.6	45%	0.448	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-30.7	-171.7	176.7	0	0	0	0	114.7	T148 D251	T148-V254 HydrophobicContact CG2-CG2 3.93Å; T148-V254 WeakPolarHBondContact OG1-CG2 3.38Å; D251-V254 PolarHBondContact OD1-N 2.74Å; D251-V254 VanDerWaalsContact OD1-N 3.15Å
255	H	60.9	Low	75.7	Confident	75 Å²	75	77.4 Å²	77.4	35%	0.347	41%	0.405	S	S	.	.	S	Bend	trans	-120.7	127.9	-178.4	-62.2	99.9	0	0	0	110.7	Y165 P257	Y165-H255 HydrophobicContact CE2-CB 4.16Å; Y165-H255 AromaticContact CE2-CD2 3.63Å; H255-P257 WeakPolarHBondContact O-CD 3.43Å; H255-P257 VanDerWaalsContact O-N 3.16Å
256	R	67.1	Low	75.6	Confident	172 Å²	172	76.6 Å²	76.6	65%	0.649	39%	0.392	S	S	*	.			trans	-58.5	120.3	170.9	-67.9	-174.9	-174.7	177.2	5.7	108	L258 S262	R256-L258 PolarHBondContact O-N 3.49Å; R256-S262 PolarHBondContact NH1-OG 3.29Å
257	P	73.2	Confident	75.8	Confident	50 Å²	50	78.8 Å²	78.8	33%	0.325	41%	0.405	S	S	.	.			trans	-60.9	137.9	-174.5	19.6	-29.6	0	0	0	110.6	E164 H255 D259 T260	E164-P257 WeakPolarHBondContact OE2-CA 3.47Å; H255-P257 WeakPolarHBondContact O-CD 3.43Å; H255-P257 VanDerWaalsContact O-N 3.16Å; P257-D259 PolarHBondContact O-N 2.72Å; P257-T260 HydrophobicContact CG-CG2 4.06Å; P257-T260 WeakPolarHBondContact O-CB 3.1Å; P257-T260 PolarHBondContact O-N 3.42Å; P257-T260 PolarHBondContact O-OG1 3.38Å
258	L	78.7	Confident	76.1	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.6	-178.8	-70.2	169	0	0	0	112.8	E164 Y165 F168 Y231 R256 T260 G263 L269	E164-L258 HydrophobicContact CB-CD1 4.23Å; E164-L258 HydrophobicContact CG-CB 4.33Å; E164-L258 HydrophobicContact CG-CD1 3.95Å; E164-L258 HydrophobicContact CG-CG 4.38Å; E164-L258 PolarHBondContact OE1-N 3.47Å; E164-L258 PolarHBondContact OE2-N 3.46Å; Y165-L258 HydrophobicContact CD1-CD1 4.23Å; Y165-L258 HydrophobicContact CE1-CD2 4.23Å; F168-L258 HydrophobicContact CB-CD1 3.94Å; F168-L258 HydrophobicContact CD2-CD1 4.14Å; F168-L258 HydrophobicContact CG-CD1 4.21Å; Y231-L258 HydrophobicContact CE1-CB 3.73Å; R256-L258 PolarHBondContact O-N 3.49Å; L258-T260 PolarHBondContact O-N 3.48Å; L258-G263 WeakPolarHBondContact CD2-O 3.48Å; L258-L269 HydrophobicContact CD1-CD2 4.05Å; L258-L269 HydrophobicContact CD2-CD2 3.51Å; L258-L269 HydrophobicContact CG-CD2 4.48Å
259	D	72.9	Confident	76.4	Confident	48 Å²	48	74.2 Å²	74.2	26%	0.257	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-15.5	164.9	-56.9	-52.5	0	0	0	113.1	Y232 K239 P257	Y232-D259 WeakPolarHBondContact CE2-O 3.19Å; K239-D259 IonicContact NZ-OD2 2.75Å; K239-D259 PolarHBondContact NZ-OD2 2.87Å; P257-D259 PolarHBondContact O-N 2.72Å
260	T	80.4	Confident	77	Confident	55 Å²	55	70.9 Å²	70.9	34%	0.337	37%	0.37	S	S	.	.	S	Bend	trans	-95.4	143.5	175.6	67.2	0	0	0	0	112.5	P257 L258 S262 G263 L264	P257-T260 HydrophobicContact CG-CG2 4.06Å; P257-T260 WeakPolarHBondContact O-CB 3.1Å; P257-T260 PolarHBondContact O-N 3.42Å; P257-T260 PolarHBondContact O-OG1 3.38Å; L258-T260 PolarHBondContact O-N 3.48Å; T260-S262 PolarHBondContact O-N 3.37Å; T260-G263 PolarHBondContact O-N 3.4Å; T260-G263 PolarHBondContact OG1-N 2.9Å; T260-G263 VanDerWaalsContact OG1-N 3.17Å; T260-L264 PolarHBondContact O-N 2.91Å
261	V	80.4	Confident	78	Confident	84 Å²	84	71 Å²	71	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-56.2	-34.9	176	-177.9	0	0	0	0	111.9	Y232 L265	Y232-V261 HydrophobicContact CE2-CG2 3.87Å; V261-L265 HydrophobicContact CG1-CD1 3.88Å; V261-L265 HydrophobicContact CG1-CG 4.48Å; V261-L265 WeakPolarHBondContact O-CB 3.13Å; V261-L265 VanDerWaalsContact O-CG 3.31Å; V261-L265 WeakPolarHBondContact O-CG 3.21Å; V261-L265 PolarHBondContact O-N 3.03Å
262	S	78.8	Confident	79.2	Confident	68 Å²	68	70.6 Å²	70.6	48%	0.476	36%	0.363	S	S	.	.	H	α-helix	trans	-72.6	-31.2	176.5	178.3	0	0	0	0	113.9	R256 T260	R256-S262 PolarHBondContact NH1-OG 3.29Å; T260-S262 PolarHBondContact O-N 3.37Å
263	G	80.4	Confident	80.7	Confident	2 Å²	2	62.3 Å²	62.3	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-72.8	-47.2	174.6	0	0	0	0	0	110.8	L258 T260 L265 N266	L258-G263 WeakPolarHBondContact CD2-O 3.48Å; T260-G263 PolarHBondContact O-N 3.4Å; T260-G263 PolarHBondContact OG1-N 2.9Å; T260-G263 VanDerWaalsContact OG1-N 3.17Å; G263-L265 VanDerWaalsContact C-N 3.26Å; G263-L265 PolarHBondContact O-N 3.36Å; G263-N266 VanDerWaalsContact O-CB 3.25Å; G263-N266 WeakPolarHBondContact O-CB 3.5Å; G263-N266 PolarHBondContact O-N 3.47Å; G263-N266 VanDerWaalsContact O-N 3.1Å
264	L	83.8	Confident	82.5	Confident	15 Å²	15	57 Å²	57	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-63.4	-28.4	-177.4	-167.7	65.1	0	0	0	113.9	F168 C228 Y231 T260 N266	F168-L264 HydrophobicContact CE2-CD1 3.56Å; F168-L264 HydrophobicContact CZ-CD1 3.92Å; C228-L264 HydrophobicContact CB-CD1 4.21Å; C228-L264 HydrophobicContact CB-CD2 4.02Å; C228-L264 HydrophobicContact CB-CG 4.17Å; C228-L264 WeakPolarHBondContact O-CD2 3.44Å; Y231-L264 HydrophobicContact CD1-CD1 4.4Å; T260-L264 PolarHBondContact O-N 2.91Å; L264-N266 VanDerWaalsContact C-N 3.28Å; L264-N266 PolarHBondContact O-N 3.05Å
265	L	85	Confident	84.5	Confident	112 Å²	112	54 Å²	54	59%	0.586	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	17.3	176.2	-67	176.8	0	0	0	114.1	V261 G263 L267 L270	V261-L265 HydrophobicContact CG1-CD1 3.88Å; V261-L265 HydrophobicContact CG1-CG 4.48Å; V261-L265 WeakPolarHBondContact O-CB 3.13Å; V261-L265 VanDerWaalsContact O-CG 3.31Å; V261-L265 WeakPolarHBondContact O-CG 3.21Å; V261-L265 PolarHBondContact O-N 3.03Å; G263-L265 VanDerWaalsContact C-N 3.26Å; G263-L265 PolarHBondContact O-N 3.36Å; L265-L267 PolarHBondContact O-N 3.22Å; L265-L267 VanDerWaalsContact O-N 3.07Å; L265-L270 HydrophobicContact CD2-CD1 4.46Å
266	N	88.8	Confident	86.2	Confident	47 Å²	47	50.5 Å²	50.5	25%	0.251	26%	0.263	S	S	.	.			trans	-62.6	109.5	171.3	-178.6	-17.7	0	0	0	110.4	Y165 G263 L264 S268 L269 L270	Y165-N266 PolarHBondContact OH-ND2 3.13Å; G263-N266 VanDerWaalsContact O-CB 3.25Å; G263-N266 WeakPolarHBondContact O-CB 3.5Å; G263-N266 PolarHBondContact O-N 3.47Å; G263-N266 VanDerWaalsContact O-N 3.1Å; L264-N266 VanDerWaalsContact C-N 3.28Å; L264-N266 PolarHBondContact O-N 3.05Å; N266-S268 PolarHBondContact O-N 3.08Å; N266-S268 WeakPolarHBondContact OD1-CB 3.48Å; N266-S268 PolarHBondContact OD1-N 2.99Å; N266-L269 HydrophobicContact CB-CB 4.13Å; N266-L269 PolarHBondContact O-N 2.95Å; N266-L269 VanDerWaalsContact O-N 3.14Å; N266-L270 WeakPolarHBondContact O-CG 2.95Å; N266-L270 PolarHBondContact O-N 3.3Å
267	L	90	Very high	87.6	Confident	144 Å²	144	42.3 Å²	42.3	75%	0.754	23%	0.232	S	C	*	.	H	α-helix	trans	-59.1	-32.8	-176.7	-64.9	176.9	0	0	0	113.2	L265 Y271	L265-L267 PolarHBondContact O-N 3.22Å; L265-L267 VanDerWaalsContact O-N 3.07Å; L267-Y271 VanDerWaalsContact O-CB 3.22Å; L267-Y271 WeakPolarHBondContact O-CB 3.37Å; L267-Y271 PolarHBondContact O-N 3.37Å
268	S	90.6	Very high	88.8	Confident	52 Å²	52	40.8 Å²	40.8	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-66.8	-47.9	176.2	-178	0	0	0	0	110.8	Y140 N266 L270 Y271 H272	Y140-S268 PolarHBondContact OH-OG 3.43Å; N266-S268 PolarHBondContact O-N 3.08Å; N266-S268 WeakPolarHBondContact OD1-CB 3.48Å; N266-S268 PolarHBondContact OD1-N 2.99Å; S268-L270 PolarHBondContact O-N 2.87Å; S268-Y271 PolarHBondContact O-N 3.34Å; S268-H272 PolarHBondContact O-N 3.34Å; S268-H272 VanDerWaalsContact O-N 3.07Å; S268-H272 PolarHBondContact O-ND1 2.92Å; S268-H272 PolarHBondContact OG-CE1 3.35Å; S268-H272 PolarHBondContact OG-ND1 3.02Å
269	L	90.6	Very high	89.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-49.4	176.5	175.1	59.4	0	0	0	111.1	Y140 Y165 F168 F169 L258 N266 Y271 H272 V273	Y140-L269 HydrophobicContact CE1-CD1 4.03Å; Y165-L269 HydrophobicContact CD1-CB 4.35Å; Y165-L269 HydrophobicContact CD1-CD1 3.99Å; Y165-L269 HydrophobicContact CD1-CD2 3.84Å; Y165-L269 HydrophobicContact CD1-CG 4.27Å; Y165-L269 HydrophobicContact CE1-CB 4.28Å; Y165-L269 HydrophobicContact CE1-CD2 3.96Å; F168-L269 HydrophobicContact CD1-CD1 3.88Å; F168-L269 HydrophobicContact CD1-CD2 3.95Å; F168-L269 HydrophobicContact CD1-CG 4.15Å; F168-L269 HydrophobicContact CE1-CD1 4.33Å; F168-L269 HydrophobicContact CE1-CD2 4.07Å; F168-L269 HydrophobicContact CE1-CG 4.18Å; F168-L269 HydrophobicContact CG-CD2 4.28Å; F169-L269 HydrophobicContact CD2-CD1 4.07Å; F169-L269 HydrophobicContact CE2-CD1 3.74Å; L258-L269 HydrophobicContact CD1-CD2 4.05Å; L258-L269 HydrophobicContact CD2-CD2 3.51Å; L258-L269 HydrophobicContact CG-CD2 4.48Å; N266-L269 HydrophobicContact CB-CB 4.13Å; N266-L269 PolarHBondContact O-N 2.95Å; N266-L269 VanDerWaalsContact O-N 3.14Å; L269-Y271 VanDerWaalsContact C-N 3.31Å; L269-Y271 PolarHBondContact O-N 3.41Å; L269-H272 PolarHBondContact O-N 3.44Å; L269-V273 HydrophobicContact CD1-CG2 3.62Å; L269-V273 HydrophobicContact CG-CG2 4.32Å; L269-V273 WeakPolarHBondContact O-CB 3.46Å; L269-V273 VanDerWaalsContact O-CG2 3.29Å; L269-V273 WeakPolarHBondContact O-CG2 3.2Å; L269-V273 PolarHBondContact O-N 3.02Å
270	L	93.8	Very high	90.9	Very high	37 Å²	37	38.9 Å²	38.9	19%	0.194	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-38.9	-179.7	-67.7	176.8	0	0	0	112.2	V224 C228 L265 N266 S268 W274	V224-L270 HydrophobicContact CG1-CD2 4.06Å; C228-L270 VanDerWaalsContact SG-CD2 3.54Å; L265-L270 HydrophobicContact CD2-CD1 4.46Å; N266-L270 WeakPolarHBondContact O-CG 2.95Å; N266-L270 PolarHBondContact O-N 3.3Å; S268-L270 PolarHBondContact O-N 2.87Å; L270-W274 WeakPolarHBondContact O-CB 3.46Å; L270-W274 PolarHBondContact O-N 3.33Å
271	Y	94.6	Very high	91.7	Very high	72 Å²	72	36.3 Å²	36.3	28%	0.282	20%	0.195	S	C	.	.	H	α-helix	trans	-62.1	-52.5	175.7	176.2	-101	0	0	0	112.2	F46 L267 S268 L269 W274 L275	F46-Y271 PolarHBondContact O-OH 2.69Å; L267-Y271 VanDerWaalsContact O-CB 3.22Å; L267-Y271 WeakPolarHBondContact O-CB 3.37Å; L267-Y271 PolarHBondContact O-N 3.37Å; S268-Y271 PolarHBondContact O-N 3.34Å; L269-Y271 VanDerWaalsContact C-N 3.31Å; L269-Y271 PolarHBondContact O-N 3.41Å; Y271-W274 HydrophobicContact CD2-CE3 4.1Å; Y271-W274 HydrophobicContact CD2-CZ3 4.22Å; Y271-W274 HydrophobicContact CE2-CE3 4.2Å; Y271-W274 AromaticContact CE2-CZ3 3.92Å; Y271-W274 HydrophobicContact CE2-CZ3 3.92Å; Y271-W274 PolarHBondContact O-N 3.41Å; Y271-L275 HydrophobicContact CE1-CD2 4.27Å; Y271-L275 WeakPolarHBondContact O-CB 3.42Å; Y271-L275 PolarHBondContact O-N 3.07Å
272	H	94.4	Very high	92.5	Very high	27 Å²	27	33.4 Å²	33.4	13%	0.125	18%	0.176	C	C	.	.	H	α-helix	trans	-70.9	-34.3	-176.2	-63.5	94.6	0	0	0	112.4	S47 T136 Y140 F169 S268 L269 L275 C276	S47-H272 PolarHBondContact O-NE2 3.42Å; T136-H272 VanDerWaalsContact CG2-CD2 3.42Å; T136-H272 WeakPolarHBondContact CG2-CD2 3.32Å; Y140-H272 HydrophobicContact CE2-CB 4.37Å; Y140-H272 AromaticContact CE2-ND1 3.83Å; F169-H272 HydrophobicContact CE2-CB 4.47Å; F169-H272 HydrophobicContact CZ-CB 3.67Å; S268-H272 PolarHBondContact O-N 3.34Å; S268-H272 VanDerWaalsContact O-N 3.07Å; S268-H272 PolarHBondContact O-ND1 2.92Å; S268-H272 PolarHBondContact OG-CE1 3.35Å; S268-H272 PolarHBondContact OG-ND1 3.02Å; L269-H272 PolarHBondContact O-N 3.44Å; H272-L275 PolarHBondContact O-N 3.14Å; H272-C276 VanDerWaalsContact O-CB 3.27Å; H272-C276 WeakPolarHBondContact O-CB 3.39Å; H272-C276 PolarHBondContact O-N 2.85Å
273	V	95.4	Very high	93.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-70.5	-38.1	174.8	175.4	0	0	0	0	111.3	F168 F169 A172 V224 L269 G277	F168-V273 HydrophobicContact CD1-CG2 3.97Å; F168-V273 HydrophobicContact CE1-CG1 4.23Å; F168-V273 HydrophobicContact CE1-CG2 3.98Å; F169-V273 HydrophobicContact CD1-CG2 4.25Å; F169-V273 HydrophobicContact CD2-CG2 3.72Å; F169-V273 HydrophobicContact CE1-CG2 4.01Å; F169-V273 HydrophobicContact CE2-CG2 3.46Å; F169-V273 VanDerWaalsContact CE2-CG2 3.46Å; F169-V273 HydrophobicContact CG-CG2 4.13Å; F169-V273 HydrophobicContact CZ-CG2 3.62Å; A172-V273 HydrophobicContact CB-CG1 3.73Å; V224-V273 HydrophobicContact CG2-CG1 4.04Å; L269-V273 HydrophobicContact CD1-CG2 3.62Å; L269-V273 HydrophobicContact CG-CG2 4.32Å; L269-V273 WeakPolarHBondContact O-CB 3.46Å; L269-V273 VanDerWaalsContact O-CG2 3.29Å; L269-V273 WeakPolarHBondContact O-CG2 3.2Å; L269-V273 PolarHBondContact O-N 3.02Å; V273-G277 PolarHBondContact O-N 2.95Å
274	W	97.3	Very high	94.2	Very high	61 Å²	61	30.4 Å²	30.4	23%	0.231	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-51.1	169	169.1	63.9	0	0	0	111.1	C217 S220 L221 V224 L270 Y271 C276 G277 V278	C217-W274 HydrophobicContact CB-CZ2 4.26Å; C217-W274 PolarHBondContact O-NE1 3.21Å; C217-W274 VanDerWaalsContact O-NE1 3.08Å; S220-W274 VanDerWaalsContact OG-CD1 3.25Å; S220-W274 PolarHBondContact OG-O 2.89Å; L221-W274 VanDerWaalsContact CD2-CD1 3.46Å; L221-W274 HydrophobicContact CD2-CD2 4.24Å; L221-W274 HydrophobicContact CD2-CG 3.87Å; L221-W274 HydrophobicContact CG-CG 4.49Å; V224-W274 HydrophobicContact CG2-CB 4.34Å; L270-W274 WeakPolarHBondContact O-CB 3.46Å; L270-W274 PolarHBondContact O-N 3.33Å; Y271-W274 HydrophobicContact CD2-CE3 4.1Å; Y271-W274 HydrophobicContact CD2-CZ3 4.22Å; Y271-W274 HydrophobicContact CE2-CE3 4.2Å; Y271-W274 AromaticContact CE2-CZ3 3.92Å; Y271-W274 HydrophobicContact CE2-CZ3 3.92Å; Y271-W274 PolarHBondContact O-N 3.41Å; W274-C276 VanDerWaalsContact C-N 3.3Å; W274-C276 PolarHBondContact O-N 3.02Å; W274-G277 CarbonylContact O-C 3.6Å; W274-G277 WeakPolarHBondContact O-CA 3.15Å; W274-G277 PolarHBondContact O-N 2.82Å; W274-V278 HydrophobicContact CD2-CG2 4.26Å; W274-V278 HydrophobicContact CG-CG2 4.44Å; W274-V278 HydrophobicContact CZ2-CG2 4.04Å; W274-V278 WeakPolarHBondContact O-CG2 3.28Å; W274-V278 PolarHBondContact O-N 3.1Å
275	L	96.8	Very high	94.8	Very high	13 Å²	13	29.7 Å²	29.7	7%	0.068	15%	0.151	C	C	.	.	H	α-helix	trans	-60.4	-39.4	-180	-174.7	64.5	0	0	0	112.3	F43 F46 S47 Y271 H272 G277 V278 F279	F43-L275 HydrophobicContact CD2-CD2 4.17Å; F43-L275 HydrophobicContact CD2-CG 3.82Å; F43-L275 HydrophobicContact CE2-CB 4.5Å; F43-L275 HydrophobicContact CE2-CD2 4.14Å; F43-L275 HydrophobicContact CE2-CG 3.88Å; F46-L275 HydrophobicContact CB-CD1 3.73Å; F46-L275 HydrophobicContact CB-CD2 3.74Å; F46-L275 HydrophobicContact CB-CG 4.39Å; F46-L275 HydrophobicContact CG-CD1 4.45Å; S47-L275 WeakPolarHBondContact OG-CD2 3.4Å; Y271-L275 HydrophobicContact CE1-CD2 4.27Å; Y271-L275 WeakPolarHBondContact O-CB 3.42Å; Y271-L275 PolarHBondContact O-N 3.07Å; H272-L275 PolarHBondContact O-N 3.14Å; L275-G277 VanDerWaalsContact C-N 3.34Å; L275-G277 PolarHBondContact O-N 3.04Å; L275-V278 PolarHBondContact O-N 3.23Å; L275-F279 WeakPolarHBondContact O-CB 3.31Å; L275-F279 PolarHBondContact O-N 3.5Å
276	C	96.7	Very high	95.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-59.5	-42.5	170.6	178.9	0	0	0	0	112	A132 F169 H272 W274 F279 L280	A132-C276 HydrophobicContact CB-CB 4.3Å; A132-C276 VanDerWaalsContact CB-SG 3.57Å; F169-C276 HydrophobicContact CE1-CB 4.06Å; H272-C276 VanDerWaalsContact O-CB 3.27Å; H272-C276 WeakPolarHBondContact O-CB 3.39Å; H272-C276 PolarHBondContact O-N 2.85Å; W274-C276 VanDerWaalsContact C-N 3.3Å; W274-C276 PolarHBondContact O-N 3.02Å; C276-F279 PolarHBondContact O-N 2.89Å; C276-L280 WeakPolarHBondContact O-CB 3.23Å; C276-L280 PolarHBondContact O-N 3.05Å
277	G	97.3	Very high	95.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67	-37.6	175.7	0	0	0	0	0	113.5	M176 S220 V273 W274 L275 L280 L281	M176-G277 WeakPolarHBondContact SD-CA 3.45Å; S220-G277 WeakPolarHBondContact OG-CA 3.38Å; V273-G277 PolarHBondContact O-N 2.95Å; W274-G277 CarbonylContact O-C 3.6Å; W274-G277 WeakPolarHBondContact O-CA 3.15Å; W274-G277 PolarHBondContact O-N 2.82Å; L275-G277 VanDerWaalsContact C-N 3.34Å; L275-G277 PolarHBondContact O-N 3.04Å; G277-L280 PolarHBondContact O-N 2.95Å; G277-L281 WeakPolarHBondContact O-CB 3.24Å; G277-L281 WeakPolarHBondContact O-CG 3.01Å; G277-L281 PolarHBondContact O-N 2.85Å
278	V	98.1	Very high	95.9	Very high	17 Å²	17	15.9 Å²	15.9	10%	0.103	8%	0.078	C	C	.	.	H	α-helix	trans	-62.6	-46.7	171.9	178.1	0	0	0	0	110.3	C217 S220 W274 L275 L280 L281 M282	C217-V278 HydrophobicContact CB-CG2 4.49Å; S220-V278 PolarHBondContact OG-N 3.32Å; W274-V278 HydrophobicContact CD2-CG2 4.26Å; W274-V278 HydrophobicContact CG-CG2 4.44Å; W274-V278 HydrophobicContact CZ2-CG2 4.04Å; W274-V278 WeakPolarHBondContact O-CG2 3.28Å; W274-V278 PolarHBondContact O-N 3.1Å; L275-V278 PolarHBondContact O-N 3.23Å; V278-L280 PolarHBondContact O-N 2.84Å; V278-L281 PolarHBondContact O-N 3.18Å; V278-M282 HydrophobicContact CG1-CG 4.02Å; V278-M282 WeakPolarHBondContact O-CB 3.24Å; V278-M282 WeakPolarHBondContact O-CG 3.26Å; V278-M282 PolarHBondContact O-N 3.49Å
279	F	97.8	Very high	96.1	Very high	9 Å²	9	13.9 Å²	13.9	4%	0.039	6%	0.063	C	C	.	.	H	α-helix	trans	-59.6	-44.4	177	172.9	-110.7	0	0	0	112.4	L36 C39 T40 F43 L77 M128 L275 C276 T283	L36-F279 HydrophobicContact CD1-CE2 4.37Å; L36-F279 HydrophobicContact CD1-CZ 4.04Å; C39-F279 HydrophobicContact CB-CD2 4.34Å; C39-F279 HydrophobicContact CB-CE2 3.99Å; T40-F279 HydrophobicContact CG2-CE2 3.58Å; T40-F279 HydrophobicContact CG2-CZ 3.44Å; T40-F279 VanDerWaalsContact CG2-CZ 3.44Å; F43-F279 HydrophobicContact CB-CB 4.35Å; F43-F279 HydrophobicContact CB-CD2 3.79Å; F43-F279 HydrophobicContact CB-CE2 4.4Å; F43-F279 HydrophobicContact CB-CG 4.13Å; F43-F279 HydrophobicContact CD2-CB 3.67Å; F43-F279 HydrophobicContact CD2-CG 4.02Å; F43-F279 HydrophobicContact CE2-CB 4.32Å; F43-F279 HydrophobicContact CG-CB 4.17Å; F43-F279 HydrophobicContact CG-CD2 4.19Å; F43-F279 HydrophobicContact CG-CG 4.04Å; L77-F279 HydrophobicContact CD1-CE1 4.27Å; L77-F279 HydrophobicContact CD1-CZ 4.1Å; L77-F279 HydrophobicContact CD2-CE1 4.22Å; M128-F279 HydrophobicContact CG-CD1 4.34Å; M128-F279 HydrophobicContact CG-CE1 4.06Å; M128-F279 HydrophobicContact SD-CE1 4.37Å; L275-F279 WeakPolarHBondContact O-CB 3.31Å; L275-F279 PolarHBondContact O-N 3.5Å; C276-F279 PolarHBondContact O-N 2.89Å; F279-T283 HydrophobicContact CD2-CG2 4.09Å; F279-T283 HydrophobicContact CE2-CG2 3.68Å; F279-T283 HydrophobicContact CZ-CG2 4.1Å; F279-T283 WeakPolarHBondContact O-CG2 3.41Å; F279-T283 PolarHBondContact O-N 2.89Å; F279-T283 PolarHBondContact O-OG1 3.33Å; F279-T283 VanDerWaalsContact O-OG1 3.08Å
280	L	97.8	Very high	96.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.8	-55.9	176.3	-177.4	161.9	0	0	0	111.7	M128 M176 C276 G277 V278 M282 T283 W284	M128-L280 HydrophobicContact CG-CB 4.41Å; M128-L280 HydrophobicContact CG-CG 4.49Å; M128-L280 VanDerWaalsContact SD-CA 3.53Å; M128-L280 HydrophobicContact SD-CB 3.76Å; M128-L280 HydrophobicContact SD-CD1 4.4Å; M128-L280 HydrophobicContact SD-CG 3.73Å; M176-L280 HydrophobicContact CB-CD1 4.24Å; C276-L280 WeakPolarHBondContact O-CB 3.23Å; C276-L280 PolarHBondContact O-N 3.05Å; G277-L280 PolarHBondContact O-N 2.95Å; V278-L280 PolarHBondContact O-N 2.84Å; L280-M282 VanDerWaalsContact C-N 3.34Å; L280-M282 PolarHBondContact O-N 3Å; L280-T283 PolarHBondContact O-N 3.32Å; L280-T283 PolarHBondContact O-OG1 3.26Å; L280-T283 VanDerWaalsContact O-OG1 3.12Å; L280-W284 HydrophobicContact CD1-CH2 4.4Å; L280-W284 HydrophobicContact CD1-CZ2 4.18Å; L280-W284 HydrophobicContact CD2-CD2 3.77Å; L280-W284 HydrophobicContact CD2-CE3 3.77Å; L280-W284 HydrophobicContact CD2-CG 4.42Å; L280-W284 HydrophobicContact CD2-CH2 3.97Å; L280-W284 HydrophobicContact CD2-CZ2 3.96Å; L280-W284 HydrophobicContact CD2-CZ3 3.88Å; L280-W284 HydrophobicContact CG-CD2 4.29Å; L280-W284 HydrophobicContact CG-CH2 4.33Å; L280-W284 HydrophobicContact CG-CZ2 3.92Å; L280-W284 VanDerWaalsContact O-CD1 3.31Å; L280-W284 PolarHBondContact O-N 3.14Å; L280-W284 VanDerWaalsContact O-N 3.11Å
281	L	97.5	Very high	96.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.3	-40.1	-178.7	-68.2	173.9	0	0	0	111.7	Y180 E219 L223 G277 V278 W284 Y285	Y180-L281 HydrophobicContact CD2-CD2 4.06Å; E219-L281 HydrophobicContact CB-CD1 3.99Å; E219-L281 HydrophobicContact CG-CD1 3.89Å; L223-L281 HydrophobicContact CD1-CD1 4.21Å; L223-L281 HydrophobicContact CD1-CD2 4.5Å; G277-L281 WeakPolarHBondContact O-CB 3.24Å; G277-L281 WeakPolarHBondContact O-CG 3.01Å; G277-L281 PolarHBondContact O-N 2.85Å; V278-L281 PolarHBondContact O-N 3.18Å; L281-W284 PolarHBondContact O-N 2.67Å; L281-Y285 HydrophobicContact CB-CD2 4.06Å; L281-Y285 HydrophobicContact CB-CE2 4.02Å; L281-Y285 HydrophobicContact CD2-CE2 3.99Å; L281-Y285 HydrophobicContact CG-CE2 4.48Å; L281-Y285 VanDerWaalsContact O-CB 3.31Å; L281-Y285 WeakPolarHBondContact O-CB 3.29Å; L281-Y285 WeakPolarHBondContact O-CD2 3.5Å; L281-Y285 PolarHBondContact O-N 3.31Å
282	M	96.6	Very high	96.3	Very high	24 Å²	24	10.6 Å²	10.6	12%	0.118	5%	0.049	C	C	.	.	H	α-helix	trans	-59.1	-51.8	176.9	-80.1	-60.5	-61.5	0	0	112.2	L209 L212 V213 S216 V278 L280 W284 I286	L209-M282 HydrophobicContact CD1-CE 4.48Å; L212-M282 HydrophobicContact CD2-CE 3.9Å; L212-M282 HydrophobicContact CD2-SD 4.37Å; L212-M282 HydrophobicContact CG-CE 4.07Å; L212-M282 HydrophobicContact CG-SD 3.92Å; V213-M282 HydrophobicContact CB-SD 4.38Å; V213-M282 HydrophobicContact CG2-CE 3.62Å; V213-M282 HydrophobicContact CG2-SD 3.98Å; S216-M282 PolarHBondContact OG-SD 3.44Å; V278-M282 HydrophobicContact CG1-CG 4.02Å; V278-M282 WeakPolarHBondContact O-CB 3.24Å; V278-M282 WeakPolarHBondContact O-CG 3.26Å; V278-M282 PolarHBondContact O-N 3.49Å; L280-M282 VanDerWaalsContact C-N 3.34Å; L280-M282 PolarHBondContact O-N 3Å; M282-W284 PolarHBondContact O-N 3.41Å; M282-I286 HydrophobicContact CE-CD1 4.34Å; M282-I286 WeakPolarHBondContact O-CB 3.35Å; M282-I286 WeakPolarHBondContact O-CG1 3.38Å; M282-I286 PolarHBondContact O-N 3.41Å
283	T	97	Very high	96.2	Very high	6 Å²	6	9.7 Å²	9.7	4%	0.037	5%	0.045	C	C	.	.	H	α-helix	trans	-66.1	-38.6	-177.3	56.6	0	0	0	0	112.1	L36 C39 F279 L280 I286 S287	L36-T283 HydrophobicContact CD1-CG2 3.93Å; C39-T283 HydrophobicContact CB-CG2 3.74Å; F279-T283 HydrophobicContact CD2-CG2 4.09Å; F279-T283 HydrophobicContact CE2-CG2 3.68Å; F279-T283 HydrophobicContact CZ-CG2 4.1Å; F279-T283 WeakPolarHBondContact O-CG2 3.41Å; F279-T283 PolarHBondContact O-N 2.89Å; F279-T283 PolarHBondContact O-OG1 3.33Å; F279-T283 VanDerWaalsContact O-OG1 3.08Å; L280-T283 PolarHBondContact O-N 3.32Å; L280-T283 PolarHBondContact O-OG1 3.26Å; L280-T283 VanDerWaalsContact O-OG1 3.12Å; T283-I286 PolarHBondContact O-N 2.79Å; T283-S287 PolarHBondContact O-N 3.45Å
284	W	97.4	Very high	96.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-71.4	-42.3	179.3	-67	16.4	0	0	0	112.2	I84 H121 M124 M128 Y180 L280 L281 M282 S287 W288	I84-W284 HydrophobicContact CD1-CD2 4.43Å; I84-W284 HydrophobicContact CD1-CH2 4.29Å; I84-W284 HydrophobicContact CD1-CZ2 4.08Å; I84-W284 HydrophobicContact CG1-CD2 4.41Å; I84-W284 HydrophobicContact CG1-CZ2 4.39Å; I84-W284 HydrophobicContact CG2-CD2 4.46Å; I84-W284 HydrophobicContact CG2-CG 4.27Å; H121-W284 HydrophobicContact CB-CH2 4.35Å; H121-W284 HydrophobicContact CB-CZ3 4.24Å; H121-W284 AromaticContact CD2-CZ3 3.73Å; H121-W284 WeakPolarHBondContact O-CH2 3.43Å; M124-W284 HydrophobicContact CB-CZ2 4.25Å; M128-W284 PolarHBondContact SD-NE1 3.47Å; M128-W284 VanDerWaalsContact SD-NE1 3.4Å; Y180-W284 AromaticContact CD1-CE3 3.48Å; Y180-W284 HydrophobicContact CD1-CE3 3.48Å; Y180-W284 VanDerWaalsContact CD1-CE3 3.48Å; Y180-W284 AromaticContact CD1-CZ3 3.69Å; Y180-W284 HydrophobicContact CD1-CZ3 3.69Å; Y180-W284 AromaticContact CD2-CE3 3.98Å; Y180-W284 HydrophobicContact CD2-CE3 3.98Å; Y180-W284 AromaticContact CE1-CE3 3.83Å; Y180-W284 HydrophobicContact CE1-CE3 3.83Å; Y180-W284 HydrophobicContact CE1-CZ3 4.39Å; Y180-W284 HydrophobicContact CE2-CB 4.18Å; Y180-W284 HydrophobicContact CE2-CE3 4.27Å; Y180-W284 AromaticContact CG-CE3 3.57Å; Y180-W284 HydrophobicContact CG-CE3 3.57Å; Y180-W284 AromaticContact CG-CZ3 3.84Å; Y180-W284 HydrophobicContact CG-CZ3 3.84Å; L280-W284 HydrophobicContact CD1-CH2 4.4Å; L280-W284 HydrophobicContact CD1-CZ2 4.18Å; L280-W284 HydrophobicContact CD2-CD2 3.77Å; L280-W284 HydrophobicContact CD2-CE3 3.77Å; L280-W284 HydrophobicContact CD2-CG 4.42Å; L280-W284 HydrophobicContact CD2-CH2 3.97Å; L280-W284 HydrophobicContact CD2-CZ2 3.96Å; L280-W284 HydrophobicContact CD2-CZ3 3.88Å; L280-W284 HydrophobicContact CG-CD2 4.29Å; L280-W284 HydrophobicContact CG-CH2 4.33Å; L280-W284 HydrophobicContact CG-CZ2 3.92Å; L280-W284 VanDerWaalsContact O-CD1 3.31Å; L280-W284 PolarHBondContact O-N 3.14Å; L280-W284 VanDerWaalsContact O-N 3.11Å; L281-W284 PolarHBondContact O-N 2.67Å; M282-W284 PolarHBondContact O-N 3.41Å; W284-S287 WeakPolarHBondContact O-CB 3.4Å; W284-S287 PolarHBondContact O-N 2.77Å; W284-W288 PolarHBondContact O-N 3.21Å
285	Y	96.4	Very high	95.9	Very high	1 Å²	1	8.2 Å²	8.2	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-70.7	-28.5	175.3	-70.5	-54.9	0	0	0	113.3	Y180 M189 L212 H215 E219 L281 W288 I289 L622	Y180-Y285 HydrophobicContact CD2-CE1 4.15Å; Y180-Y285 AromaticContact CE2-CD1 3.87Å; Y180-Y285 HydrophobicContact CE2-CD1 3.87Å; Y180-Y285 AromaticContact CE2-CE1 3.55Å; Y180-Y285 HydrophobicContact CE2-CE1 3.55Å; Y180-Y285 AromaticContact CE2-CZ 3.94Å; M189-Y285 HydrophobicContact CE-CE1 3.75Å; M189-Y285 HydrophobicContact SD-CE1 3.73Å; L212-Y285 HydrophobicContact CD1-CD2 4.32Å; L212-Y285 HydrophobicContact CD1-CG 4.04Å; H215-Y285 AromaticContact ND1-CE2 3.82Å; E219-Y285 VanDerWaalsContact CD-OH 3.31Å; E219-Y285 PolarHBondContact OE1-OH 3.36Å; E219-Y285 VanDerWaalsContact OE1-OH 3.11Å; E219-Y285 VanDerWaalsContact OE2-CE2 3.25Å; E219-Y285 WeakPolarHBondContact OE2-CE2 3.4Å; E219-Y285 PolarHBondContact OE2-OH 3.03Å; L281-Y285 HydrophobicContact CB-CD2 4.06Å; L281-Y285 HydrophobicContact CB-CE2 4.02Å; L281-Y285 HydrophobicContact CD2-CE2 3.99Å; L281-Y285 HydrophobicContact CG-CE2 4.48Å; L281-Y285 VanDerWaalsContact O-CB 3.31Å; L281-Y285 WeakPolarHBondContact O-CB 3.29Å; L281-Y285 WeakPolarHBondContact O-CD2 3.5Å; L281-Y285 PolarHBondContact O-N 3.31Å; Y285-W288 AromaticContact CD1-CE3 3.81Å; Y285-W288 HydrophobicContact CD1-CE3 3.81Å; Y285-W288 HydrophobicContact CD1-CZ3 4.33Å; Y285-W288 PolarHBondContact O-N 2.97Å; Y285-I289 WeakPolarHBondContact O-CB 3.47Å; Y285-I289 VanDerWaalsContact O-CG1 3.24Å; Y285-I289 WeakPolarHBondContact O-CG1 3.43Å; Y285-I289 PolarHBondContact O-N 3.33Å; Y285-L622 HydrophobicContact CD1-CD2 4.41Å; Y285-L622 HydrophobicContact CG-CD2 4.38Å
286	I	96	Very high	95.6	Very high	7 Å²	7	7.6 Å²	7.6	4%	0.036	4%	0.037	C	C	.	.	H	α-helix	trans	-59.3	-50.3	168	-75.1	169.2	0	0	0	109.7	L35 C39 F205 L212 M282 T283 W288 I289 L290	L35-I286 HydrophobicContact CB-CG2 4.39Å; L35-I286 HydrophobicContact CD1-CG2 3.73Å; C39-I286 VanDerWaalsContact SG-CD1 3.54Å; F205-I286 HydrophobicContact CE2-CG1 4.44Å; F205-I286 HydrophobicContact CE2-CG2 4.34Å; F205-I286 HydrophobicContact CZ-CG1 4.37Å; F205-I286 HydrophobicContact CZ-CG2 4.46Å; L212-I286 HydrophobicContact CD2-CG1 3.67Å; M282-I286 HydrophobicContact CE-CD1 4.34Å; M282-I286 WeakPolarHBondContact O-CB 3.35Å; M282-I286 WeakPolarHBondContact O-CG1 3.38Å; M282-I286 PolarHBondContact O-N 3.41Å; T283-I286 PolarHBondContact O-N 2.79Å; I286-W288 PolarHBondContact O-N 3.32Å; I286-I289 PolarHBondContact O-N 3.35Å; I286-L290 HydrophobicContact CG2-CD1 3.77Å; I286-L290 HydrophobicContact CG2-CG 4.33Å; I286-L290 WeakPolarHBondContact O-CB 3.44Å; I286-L290 VanDerWaalsContact O-CG 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.15Å; I286-L290 PolarHBondContact O-N 3.31Å
287	S	96.2	Very high	95.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-56.9	-48.4	176.5	165.8	0	0	0	0	112.2	S32 S85 N88 T283 W284 I289 L290 F291	S32-S287 WeakPolarHBondContact OG-CA 3.33Å; S85-S287 PolarHBondContact OG-OG 3.39Å; N88-S287 PolarHBondContact ND2-OG 3.46Å; T283-S287 PolarHBondContact O-N 3.45Å; W284-S287 WeakPolarHBondContact O-CB 3.4Å; W284-S287 PolarHBondContact O-N 2.77Å; S287-I289 PolarHBondContact O-N 3.25Å; S287-L290 PolarHBondContact O-N 3.3Å; S287-F291 WeakPolarHBondContact O-CB 3.38Å; S287-F291 PolarHBondContact O-N 2.91Å
288	W	95.6	Very high	95	Very high	5 Å²	5	12.1 Å²	12.1	2%	0.019	6%	0.064	C	C	.	.	H	α-helix	trans	-61.2	-44.8	178.3	170	69.8	0	0	0	113.1	M189 W284 Y285 I286 F291 K292 L622	M189-W288 HydrophobicContact CB-CZ2 4.04Å; M189-W288 PolarHBondContact O-NE1 3.35Å; W284-W288 PolarHBondContact O-N 3.21Å; Y285-W288 AromaticContact CD1-CE3 3.81Å; Y285-W288 HydrophobicContact CD1-CE3 3.81Å; Y285-W288 HydrophobicContact CD1-CZ3 4.33Å; Y285-W288 PolarHBondContact O-N 2.97Å; I286-W288 PolarHBondContact O-N 3.32Å; W288-F291 PolarHBondContact O-N 2.96Å; W288-K292 HydrophobicContact CZ2-CD 4.33Å; W288-K292 VanDerWaalsContact O-CB 3.28Å; W288-K292 WeakPolarHBondContact O-CB 3.33Å; W288-K292 PolarHBondContact O-N 2.85Å; W288-L622 HydrophobicContact CZ3-CD2 4.13Å; W288-L622 HydrophobicContact CZ3-CG 4.08Å
289	I	94.1	Very high	94.6	Very high	10 Å²	10	14 Å²	14	5%	0.051	7%	0.072	C	C	.	.	H	α-helix	trans	-66.6	-43.5	178.4	-71.4	170.1	0	0	0	111	F205 L212 Y285 I286 S287 K292 I293 L622	F205-I289 HydrophobicContact CD2-CG2 4.12Å; L212-I289 HydrophobicContact CD1-CD1 3.5Å; L212-I289 VanDerWaalsContact CD1-CD1 3.5Å; L212-I289 HydrophobicContact CD2-CD1 4.06Å; L212-I289 HydrophobicContact CG-CD1 4.25Å; Y285-I289 WeakPolarHBondContact O-CB 3.47Å; Y285-I289 VanDerWaalsContact O-CG1 3.24Å; Y285-I289 WeakPolarHBondContact O-CG1 3.43Å; Y285-I289 PolarHBondContact O-N 3.33Å; I286-I289 PolarHBondContact O-N 3.35Å; S287-I289 PolarHBondContact O-N 3.25Å; I289-K292 PolarHBondContact O-N 3.08Å; I289-I293 HydrophobicContact CG2-CD1 3.67Å; I289-I293 HydrophobicContact CG2-CG1 4.28Å; I289-I293 WeakPolarHBondContact O-CB 3.35Å; I289-I293 VanDerWaalsContact O-CG1 3.24Å; I289-I293 WeakPolarHBondContact O-CG1 3.48Å; I289-I293 PolarHBondContact O-N 3.31Å; I289-L622 HydrophobicContact CD1-CD1 4.05Å
290	L	95	Very high	94.3	Very high	11 Å²	11	18.1 Å²	18.1	6%	0.058	10%	0.097	C	C	.	.	H	α-helix	trans	-60.6	-48	176.4	-72.8	174.1	0	0	0	110.4	S28 W31 S32 L35 F205 I286 S287 K292 I293 Y294	S28-L290 WeakPolarHBondContact OG-CB 3.31Å; W31-L290 HydrophobicContact CB-CD1 3.92Å; S32-L290 WeakPolarHBondContact OG-CD1 3.47Å; L35-L290 HydrophobicContact CD1-CD1 4.09Å; F205-L290 HydrophobicContact CD2-CD2 4Å; F205-L290 HydrophobicContact CD2-CG 4.49Å; F205-L290 HydrophobicContact CE2-CD2 4.25Å; F205-L290 HydrophobicContact CE2-CG 4.37Å; I286-L290 HydrophobicContact CG2-CD1 3.77Å; I286-L290 HydrophobicContact CG2-CG 4.33Å; I286-L290 WeakPolarHBondContact O-CB 3.44Å; I286-L290 VanDerWaalsContact O-CG 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.15Å; I286-L290 PolarHBondContact O-N 3.31Å; S287-L290 PolarHBondContact O-N 3.3Å; L290-K292 VanDerWaalsContact C-N 3.3Å; L290-K292 PolarHBondContact O-N 2.79Å; L290-I293 PolarHBondContact O-N 3.22Å; L290-Y294 HydrophobicContact CD2-CE2 4.41Å; L290-Y294 WeakPolarHBondContact O-CD2 3.17Å; L290-Y294 PolarHBondContact O-N 2.76Å
291	F	95.1	Very high	94	Very high	6 Å²	6	18.3 Å²	18.3	3%	0.026	10%	0.098	C	C	.	.	H	α-helix	trans	-58.9	-45.8	179.5	169.2	-109.8	0	0	0	110.7	I25 S28 N88 V89 Y92 L192 S287 W288 I293 Y294 A295	I25-F291 HydrophobicContact CG1-CE2 4.18Å; S28-F291 WeakPolarHBondContact OG-CA 3.45Å; S28-F291 PolarHBondContact OG-N 2.92Å; N88-F291 HydrophobicContact CB-CD1 4.15Å; N88-F291 HydrophobicContact CB-CG 4.43Å; N88-F291 VanDerWaalsContact O-CE1 3.24Å; N88-F291 WeakPolarHBondContact O-CE1 3.37Å; V89-F291 HydrophobicContact CB-CE2 4.44Å; V89-F291 HydrophobicContact CG2-CD2 3.87Å; V89-F291 HydrophobicContact CG2-CE2 3.64Å; V89-F291 HydrophobicContact CG2-CZ 4.28Å; Y92-F291 HydrophobicContact CD1-CE1 4.36Å; Y92-F291 AromaticContact CD1-CZ 3.77Å; Y92-F291 HydrophobicContact CD1-CZ 3.77Å; Y92-F291 HydrophobicContact CG-CE1 4.33Å; Y92-F291 HydrophobicContact CG-CZ 4.08Å; L192-F291 HydrophobicContact CD1-CE1 4.21Å; L192-F291 HydrophobicContact CD1-CZ 4.33Å; L192-F291 HydrophobicContact CD2-CD1 4.42Å; L192-F291 HydrophobicContact CD2-CE1 4.07Å; S287-F291 WeakPolarHBondContact O-CB 3.38Å; S287-F291 PolarHBondContact O-N 2.91Å; W288-F291 PolarHBondContact O-N 2.96Å; F291-I293 PolarHBondContact O-N 3.15Å; F291-Y294 PolarHBondContact O-N 2.93Å; F291-A295 HydrophobicContact CD2-CB 4.46Å; F291-A295 HydrophobicContact CE2-CB 4.06Å; F291-A295 HydrophobicContact CZ-CB 4.2Å; F291-A295 WeakPolarHBondContact O-CB 3.33Å; F291-A295 PolarHBondContact O-N 3.42Å
292	K	93.1	Very high	93.7	Very high	23 Å²	23	20.6 Å²	20.6	10%	0.1	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-41	174.2	174	174.6	169.6	170	0	113.1	L192 W288 I289 L290 T296	L192-K292 HydrophobicContact CD2-CB 4.01Å; L192-K292 HydrophobicContact CD2-CG 4.17Å; W288-K292 HydrophobicContact CZ2-CD 4.33Å; W288-K292 VanDerWaalsContact O-CB 3.28Å; W288-K292 WeakPolarHBondContact O-CB 3.33Å; W288-K292 PolarHBondContact O-N 2.85Å; I289-K292 PolarHBondContact O-N 3.08Å; L290-K292 VanDerWaalsContact C-N 3.3Å; L290-K292 PolarHBondContact O-N 2.79Å; K292-T296 WeakPolarHBondContact O-CB 3.22Å; K292-T296 WeakPolarHBondContact O-CG2 3.06Å; K292-T296 PolarHBondContact O-N 2.82Å; K292-T296 PolarHBondContact O-OG1 3.33Å
293	I	92.9	Very high	93.2	Very high	8 Å²	8	19.6 Å²	19.6	4%	0.041	11%	0.108	C	C	.	.	H	α-helix	trans	-67.6	-46.9	178.1	-71	171.3	0	0	0	111.1	K201 R204 F205 I289 L290 F291 E297	K201-I293 HydrophobicContact CB-CG2 3.99Å; K201-I293 HydrophobicContact CG-CG2 4.02Å; R204-I293 HydrophobicContact CB-CD1 4.2Å; R204-I293 HydrophobicContact CG-CD1 4.01Å; R204-I293 HydrophobicContact CG-CG1 4.02Å; F205-I293 HydrophobicContact CB-CD1 4.03Å; I289-I293 HydrophobicContact CG2-CD1 3.67Å; I289-I293 HydrophobicContact CG2-CG1 4.28Å; I289-I293 WeakPolarHBondContact O-CB 3.35Å; I289-I293 VanDerWaalsContact O-CG1 3.24Å; I289-I293 WeakPolarHBondContact O-CG1 3.48Å; I289-I293 PolarHBondContact O-N 3.31Å; L290-I293 PolarHBondContact O-N 3.22Å; F291-I293 PolarHBondContact O-N 3.15Å; I293-E297 PolarHBondContact O-N 2.71Å
294	Y	93.3	Very high	92.4	Very high	29 Å²	29	23.5 Å²	23.5	11%	0.114	13%	0.126	C	C	.	.	H	α-helix	trans	-71.3	-39.9	-178.6	-84.5	-91	0	0	0	112.4	R24 A27 W31 K201 L290 F291 E297	R24-Y294 WeakPolarHBondContact CD-O 3.46Å; R24-Y294 WeakPolarHBondContact O-CB 3.47Å; A27-Y294 HydrophobicContact CB-CD1 3.98Å; A27-Y294 HydrophobicContact CB-CE1 3.63Å; W31-Y294 AromaticContact CD1-CZ 3.86Å; W31-Y294 PolarHBondContact NE1-OH 2.75Å; K201-Y294 HydrophobicContact CD-CE1 4.02Å; K201-Y294 HydrophobicContact CD-CE2 4.49Å; L290-Y294 HydrophobicContact CD2-CE2 4.41Å; L290-Y294 WeakPolarHBondContact O-CD2 3.17Å; L290-Y294 PolarHBondContact O-N 2.76Å; F291-Y294 PolarHBondContact O-N 2.93Å; Y294-E297 WeakPolarHBondContact O-CB 3.49Å
295	A	93.1	Very high	91.3	Very high	3 Å²	3	25.7 Å²	25.7	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-68.6	-34.2	178.9	0	0	0	0	0	113.2	L192 F291 I326	L192-A295 HydrophobicContact CD1-CB 4.1Å; F291-A295 HydrophobicContact CD2-CB 4.46Å; F291-A295 HydrophobicContact CE2-CB 4.06Å; F291-A295 HydrophobicContact CZ-CB 4.2Å; F291-A295 WeakPolarHBondContact O-CB 3.33Å; F291-A295 PolarHBondContact O-N 3.42Å; A295-I326 HydrophobicContact CB-CD1 4.31Å
296	T	91.6	Very high	89.9	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	12.7	-178.7	62.8	0	0	0	0	114.4	L192 F194 R204 K292	L192-T296 HydrophobicContact CB-CG2 4.1Å; F194-T296 HydrophobicContact CD1-CG2 4.27Å; F194-T296 HydrophobicContact CD2-CG2 4.38Å; F194-T296 HydrophobicContact CE1-CG2 4.3Å; F194-T296 HydrophobicContact CE2-CG2 4.39Å; F194-T296 HydrophobicContact CG-CG2 4.31Å; F194-T296 HydrophobicContact CZ-CG2 4.36Å; R204-T296 PolarHBondContact NH1-OG1 3.44Å; R204-T296 PolarHBondContact NH2-OG1 3.38Å; K292-T296 WeakPolarHBondContact O-CB 3.22Å; K292-T296 WeakPolarHBondContact O-CG2 3.06Å; K292-T296 PolarHBondContact O-N 2.82Å; K292-T296 PolarHBondContact O-OG1 3.33Å
297	E	90.6	Very high	88.6	Confident	60 Å²	60	38.2 Å²	38.2	28%	0.28	21%	0.206	S	C	.	.	S	Bend	trans	-64.7	134.3	171.2	177.8	175.1	-146.8	0	0	110.5	R24 K201 I293 Y294 L330	R24-E297 IonicContact CZ-OE2 3.75Å; R24-E297 IonicContact NE-OE2 3.01Å; R24-E297 PolarHBondContact NH1-O 2.82Å; R24-E297 PolarHBondContact NH2-O 2.96Å; R24-E297 IonicContact NH2-OE2 3.17Å; K201-E297 WeakPolarHBondContact CE-OE1 3.2Å; K201-E297 WeakPolarHBondContact CE-OE2 3.47Å; K201-E297 IonicContact NZ-OE1 3.84Å; K201-E297 PolarHBondContact NZ-OE1 2.71Å; K201-E297 IonicContact NZ-OE2 3.15Å; K201-E297 PolarHBondContact NZ-OE2 2.7Å; I293-E297 PolarHBondContact O-N 2.71Å; Y294-E297 WeakPolarHBondContact O-CB 3.49Å; E297-L330 WeakPolarHBondContact O-CD2 3.44Å
298	A	89.7	Confident	87	Confident	35 Å²	35	42.3 Å²	42.3	29%	0.289	24%	0.24	S	C	.	.			trans	-55.4	144.9	175.2	0	0	0	0	0	111.3	R24 Q198 L337	R24-A298 PolarHBondContact NH2-O 2.83Å; Q198-A298 HydrophobicContact CG-CB 4.34Å; A298-L337 HydrophobicContact CB-CD1 4.44Å
299	H	90.6	Very high	85.3	Confident	57 Å²	57	51.2 Å²	51.2	26%	0.264	28%	0.282	S	S	.	.			trans	-130.3	135	175.2	-175	76.4	0	0	0	108.5	V20 F301 L330 D334	V20-H299 HydrophobicContact CG1-CB 4.28Å; H299-F301 HydrophobicContact CB-CE2 4.3Å; H299-F301 AromaticContact CD2-CD1 3.94Å; H299-F301 AromaticContact CD2-CD2 3.89Å; H299-F301 AromaticContact CD2-CE1 3.69Å; H299-F301 AromaticContact CD2-CE2 3.63Å; H299-F301 AromaticContact CD2-CZ 3.54Å; H299-L330 HydrophobicContact CB-CD2 4.42Å; H299-D334 WeakPolarHBondContact O-CB 3.42Å
300	V	91.1	Very high	83.7	Confident	95 Å²	95	52 Å²	52	58%	0.576	29%	0.292	S	S	*	.			trans	-98.3	115.1	-177.5	177.7	0	0	0	0	108.4
301	F	91.5	Very high	82.2	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.018	30%	0.304	C	S	.	.			trans	-92.8	131.2	176	-64.7	-91	0	0	0	109.7	H299 L315 V318 I327 L330 A331 D334 R345	H299-F301 HydrophobicContact CB-CE2 4.3Å; H299-F301 AromaticContact CD2-CD1 3.94Å; H299-F301 AromaticContact CD2-CD2 3.89Å; H299-F301 AromaticContact CD2-CE1 3.69Å; H299-F301 AromaticContact CD2-CE2 3.63Å; H299-F301 AromaticContact CD2-CZ 3.54Å; F301-L315 HydrophobicContact CB-CB 3.86Å; F301-L315 HydrophobicContact CB-CD1 4.24Å; F301-L315 HydrophobicContact CD2-CD1 4.49Å; F301-V318 HydrophobicContact CD1-CG2 4.19Å; F301-V318 HydrophobicContact CE1-CG1 4.18Å; F301-V318 HydrophobicContact CE1-CG2 4.35Å; F301-I327 HydrophobicContact CE1-CG2 4.42Å; F301-I327 HydrophobicContact CZ-CG2 4.22Å; F301-L330 HydrophobicContact CE2-CB 4.02Å; F301-L330 HydrophobicContact CZ-CB 4.28Å; F301-A331 HydrophobicContact CD2-CB 4.19Å; F301-A331 VanDerWaalsContact CE2-CA 3.49Å; F301-A331 HydrophobicContact CE2-CB 3.89Å; F301-A331 HydrophobicContact CZ-CB 4.27Å; F301-D334 HydrophobicContact CD2-CB 4.1Å; F301-D334 PolarHBondContact N-OD2 3.42Å; F301-R345 PolarHBondContact O-NH2 3.41Å
302	P	90	Very high	80.9	Confident	48 Å²	48	55.4 Å²	55.4	31%	0.312	31%	0.314	S	S	.	.			trans	-60.7	141.5	176.1	24.7	-32.1	0	0	0	110.7	Q304 C314 L315	P302-Q304 WeakPolarHBondContact CB-O 3.5Å; P302-C314 CarbonylContact O-C 3.57Å; P302-C314 WeakPolarHBondContact O-CA 3.42Å; P302-L315 PolarHBondContact O-N 3.1Å
303	V	86.3	Confident	80.1	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.018	33%	0.325	C	S	.	.	S	Bend	trans	-80.7	-49.9	173.7	-176.4	0	0	0	0	108.9	P316 L338 R345 E348 V349	V303-P316 HydrophobicContact CG1-CG 4.5Å; V303-L338 HydrophobicContact CG2-CD1 3.53Å; V303-R345 HydrophobicContact CG2-CB 4.25Å; V303-E348 HydrophobicContact CB-CB 4Å; V303-E348 WeakPolarHBondContact CB-OE2 3.49Å; V303-E348 HydrophobicContact CG1-CB 3.97Å; V303-V349 HydrophobicContact CG1-CG2 3.74Å; V303-V349 HydrophobicContact CG2-CG2 4.26Å
304	Q	81.5	Confident	79.8	Confident	89 Å²	89	57.6 Å²	57.6	42%	0.416	33%	0.326	S	S	.	.	S	Bend	trans	-109.8	141.4	165.3	-61.7	-174.3	-2.5	0	0	109.9	P302 E348 S351	P302-Q304 WeakPolarHBondContact CB-O 3.5Å; Q304-E348 HydrophobicContact CG-CB 4.48Å; Q304-S351 PolarHBondContact NE2-OG 3.34Å
305	P	74.3	Confident	79.7	Confident	46 Å²	46	56.2 Å²	56.2	30%	0.299	32%	0.32	S	S	.	.			trans	-81.7	143.7	177.6	34.5	-31.5	0	0	0	110	F307 C314	P305-F307 WeakPolarHBondContact CB-O 3.44Å; P305-F307 PolarHBondContact O-N 2.87Å; P305-C314 WeakPolarHBondContact CD-SG 3.47Å
306	P	67.3	Low	79.5	Confident	111 Å²	111	56.6 Å²	56.6	72%	0.721	32%	0.322	S	S	*	.	S	Bend	trans	-68	-21.7	173.7	27.4	-33.9	0	0	0	112.9
307	F	68.4	Low	79.3	Confident	159 Å²	159	60.8 Å²	60.8	70%	0.697	34%	0.34	S	S	*	.	S	Bend	trans	-141	146.7	179.6	-56	-74.4	0	0	0	110.7	P305 E309 G310	P305-F307 WeakPolarHBondContact CB-O 3.44Å; P305-F307 PolarHBondContact O-N 2.87Å; F307-E309 PolarHBondContact O-N 3.21Å; F307-E309 VanDerWaalsContact O-N 3.13Å; F307-G310 PolarHBondContact O-N 2.97Å
308	A	62.4	Low	79.2	Confident	87 Å²	87	58 Å²	58	72%	0.719	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-57.3	-32.5	-172.6	0	0	0	0	0	114.5	G310 S311	A308-G310 PolarHBondContact O-N 2.96Å; A308-S311 WeakPolarHBondContact O-CB 3.33Å; A308-S311 PolarHBondContact O-N 3.39Å; A308-S311 PolarHBondContact O-OG 3.03Å
309	E	60	Low	79.2	Confident	191 Å²	191	56.3 Å²	56.3	89%	0.893	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-64.3	-25.9	178.1	-63.2	-179.4	146.6	0	0	113.1	F307 S311	F307-E309 PolarHBondContact O-N 3.21Å; F307-E309 VanDerWaalsContact O-N 3.13Å; E309-S311 VanDerWaalsContact C-N 3.28Å; E309-S311 PolarHBondContact O-N 2.91Å
310	G	60.6	Low	79.1	Confident	26 Å²	26	56.5 Å²	56.5	27%	0.268	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-80.6	-0.7	177.1	0	0	0	0	0	114.8	F307 A308 D312 E313	F307-G310 PolarHBondContact O-N 2.97Å; A308-G310 PolarHBondContact O-N 2.96Å; G310-D312 PolarHBondContact O-N 3.34Å; G310-D312 VanDerWaalsContact O-N 3.1Å; G310-E313 PolarHBondContact O-N 3.36Å; G310-E313 VanDerWaalsContact O-N 3.1Å
311	S	63.1	Low	78.7	Confident	45 Å²	45	55 Å²	55	32%	0.315	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-63.4	-19.8	-172.2	70.4	0	0	0	0	114.7	A308 E309 E313 K317	A308-S311 WeakPolarHBondContact O-CB 3.33Å; A308-S311 PolarHBondContact O-N 3.39Å; A308-S311 PolarHBondContact O-OG 3.03Å; E309-S311 VanDerWaalsContact C-N 3.28Å; E309-S311 PolarHBondContact O-N 2.91Å; S311-E313 VanDerWaalsContact C-N 3.31Å; S311-K317 WeakPolarHBondContact O-CD 3.45Å; S311-K317 PolarHBondContact O-NZ 3.47Å; S311-K317 PolarHBondContact OG-NZ 3.41Å
312	D	67.9	Low	78.3	Confident	45 Å²	45	61 Å²	61	24%	0.241	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-72.2	-20.6	176.4	-85.2	-5.1	0	0	0	113.8	R12 G310 K317	R12-D312 IonicContact CZ-OD1 2.64Å; R12-D312 IonicContact CZ-OD2 2.69Å; R12-D312 IonicContact NE-OD1 2.76Å; R12-D312 IonicContact NE-OD2 3.66Å; R12-D312 PolarHBondContact NE-OD2 3.23Å; R12-D312 IonicContact NH2-OD1 2.68Å; R12-D312 PolarHBondContact NH2-OD1 3.41Å; R12-D312 IonicContact NH2-OD2 2.76Å; R12-D312 PolarHBondContact NH2-OD2 3.42Å; G310-D312 PolarHBondContact O-N 3.34Å; G310-D312 VanDerWaalsContact O-N 3.1Å; D312-K317 VanDerWaalsContact OD1-CE 3.32Å; D312-K317 WeakPolarHBondContact OD1-CE 3.46Å; D312-K317 IonicContact OD1-NZ 3.25Å; D312-K317 PolarHBondContact OD1-NZ 2.83Å
313	E	76.1	Confident	78.1	Confident	69 Å²	69	59.3 Å²	59.3	32%	0.322	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-100.5	0.9	-175.3	-62.1	-179	177.6	0	0	113.1	R19 G310 S311	R19-E313 WeakPolarHBondContact CD-OE1 3.42Å; R19-E313 IonicContact CZ-OE1 3.66Å; R19-E313 IonicContact NE-OE1 3.9Å; R19-E313 IonicContact NH1-OE1 2.69Å; R19-E313 PolarHBondContact NH1-OE1 3.1Å; G310-E313 PolarHBondContact O-N 3.36Å; G310-E313 VanDerWaalsContact O-N 3.1Å; S311-E313 VanDerWaalsContact C-N 3.31Å
314	C	87.1	Confident	78.3	Confident	8 Å²	8	60.2 Å²	60.2	5%	0.054	34%	0.338	C	S	.	.			trans	-71.1	139.7	-177.7	-60.6	0	0	0	0	113	P302 P305 P316 K317 V318	P302-C314 CarbonylContact O-C 3.57Å; P302-C314 WeakPolarHBondContact O-CA 3.42Å; P305-C314 WeakPolarHBondContact CD-SG 3.47Å; C314-P316 VanDerWaalsContact C-CD 3.46Å; C314-K317 PolarHBondContact O-N 3.29Å; C314-V318 WeakPolarHBondContact O-CG2 3.27Å; C314-V318 PolarHBondContact O-N 3.05Å
315	L	89.7	Confident	78.7	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-47.6	-48.4	-176.8	179.5	63	0	0	0	113.9	F301 P302 K317 V318 L319 A331 L335 L338	F301-L315 HydrophobicContact CB-CB 3.86Å; F301-L315 HydrophobicContact CB-CD1 4.24Å; F301-L315 HydrophobicContact CD2-CD1 4.49Å; P302-L315 PolarHBondContact O-N 3.1Å; L315-K317 VanDerWaalsContact C-N 3.29Å; L315-K317 PolarHBondContact O-N 3.2Å; L315-V318 PolarHBondContact O-N 3.38Å; L315-L319 HydrophobicContact CD1-CD1 3.93Å; L315-L319 HydrophobicContact CD1-CG 4.11Å; L315-L319 HydrophobicContact CG-CD1 4.1Å; L315-L319 WeakPolarHBondContact O-CB 3.13Å; L315-L319 VanDerWaalsContact O-CG 3.28Å; L315-L319 WeakPolarHBondContact O-CG 3.4Å; L315-L319 PolarHBondContact O-N 2.99Å; L315-A331 HydrophobicContact CD1-CB 3.94Å; L315-A331 WeakPolarHBondContact CD1-O 3.38Å; L315-L335 HydrophobicContact CD2-CB 4.27Å; L315-L335 HydrophobicContact CD2-CD1 4.14Å; L315-L338 HydrophobicContact CD2-CD1 3.78Å
316	P	89.6	Confident	79.6	Confident	10 Å²	10	57.8 Å²	57.8	7%	0.065	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-36.1	-179.9	-17.5	30.3	0	0	0	112.7	V303 C314 N320 N361 A364 I365	V303-P316 HydrophobicContact CG1-CG 4.5Å; C314-P316 VanDerWaalsContact C-CD 3.46Å; P316-N320 PolarHBondContact O-N 2.79Å; P316-N320 PolarHBondContact O-ND2 3.17Å; P316-N361 HydrophobicContact CG-CB 4.46Å; P316-A364 HydrophobicContact CB-CB 3.82Å; P316-I365 HydrophobicContact CB-CG1 4.12Å; P316-I365 HydrophobicContact CG-CD1 4.11Å; P316-I365 HydrophobicContact CG-CG1 4.19Å
317	K	87.5	Confident	80.7	Confident	88 Å²	88	52.5 Å²	52.5	38%	0.383	30%	0.295	S	S	.	.	H	α-helix	trans	-80	-38.3	-176.8	-158.5	-178.4	-172.6	-178.5	0	111.8	S311 D312 C314 L315 L319 N320 S321	S311-K317 WeakPolarHBondContact O-CD 3.45Å; S311-K317 PolarHBondContact O-NZ 3.47Å; S311-K317 PolarHBondContact OG-NZ 3.41Å; D312-K317 VanDerWaalsContact OD1-CE 3.32Å; D312-K317 WeakPolarHBondContact OD1-CE 3.46Å; D312-K317 IonicContact OD1-NZ 3.25Å; D312-K317 PolarHBondContact OD1-NZ 2.83Å; C314-K317 PolarHBondContact O-N 3.29Å; L315-K317 VanDerWaalsContact C-N 3.29Å; L315-K317 PolarHBondContact O-N 3.2Å; K317-L319 VanDerWaalsContact C-N 3.34Å; K317-N320 PolarHBondContact O-N 2.7Å; K317-S321 WeakPolarHBondContact O-CB 3.32Å; K317-S321 PolarHBondContact O-N 3.16Å; K317-S321 PolarHBondContact O-OG 2.89Å; K317-S321 VanDerWaalsContact O-OG 3.14Å
318	V	88.9	Confident	81.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-42.4	171.6	173.7	0	0	0	0	110.7	F301 C314 L315 N320 S321 P323 I327 A331	F301-V318 HydrophobicContact CD1-CG2 4.19Å; F301-V318 HydrophobicContact CE1-CG1 4.18Å; F301-V318 HydrophobicContact CE1-CG2 4.35Å; C314-V318 WeakPolarHBondContact O-CG2 3.27Å; C314-V318 PolarHBondContact O-N 3.05Å; L315-V318 PolarHBondContact O-N 3.38Å; V318-N320 VanDerWaalsContact C-N 3.33Å; V318-N320 PolarHBondContact O-N 3.36Å; V318-S321 PolarHBondContact O-N 3.45Å; V318-S321 PolarHBondContact O-OG 3.46Å; V318-P323 HydrophobicContact CG1-CB 4.49Å; V318-P323 HydrophobicContact CG1-CG 4.17Å; V318-P323 WeakPolarHBondContact O-CD 3.18Å; V318-P323 WeakPolarHBondContact O-CG 3.39Å; V318-I327 HydrophobicContact CG1-CG2 3.74Å; V318-A331 HydrophobicContact CG1-CB 3.98Å
319	L	88.9	Confident	83.4	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-38.3	177.1	-71.8	171.4	0	0	0	112.7	L315 K317 A331 L332 L335 I365 E368	L315-L319 HydrophobicContact CD1-CD1 3.93Å; L315-L319 HydrophobicContact CD1-CG 4.11Å; L315-L319 HydrophobicContact CG-CD1 4.1Å; L315-L319 WeakPolarHBondContact O-CB 3.13Å; L315-L319 VanDerWaalsContact O-CG 3.28Å; L315-L319 WeakPolarHBondContact O-CG 3.4Å; L315-L319 PolarHBondContact O-N 2.99Å; K317-L319 VanDerWaalsContact C-N 3.34Å; L319-A331 HydrophobicContact CD2-CB 3.83Å; L319-A331 HydrophobicContact CG-CB 4.34Å; L319-L332 HydrophobicContact CD2-CD2 3.67Å; L319-L332 HydrophobicContact CD2-CG 3.81Å; L319-L335 HydrophobicContact CD1-CD2 4.14Å; L319-I365 HydrophobicContact CD1-CG1 4.37Å; L319-E368 HydrophobicContact CB-CG 4.18Å
320	N	87.9	Confident	85	Confident	60 Å²	60	33.4 Å²	33.4	32%	0.321	19%	0.193	S	C	.	.	H	α-helix	trans	-85.9	-13.6	-177.4	-77.9	-100.3	0	0	0	114.6	P316 K317 V318 N322 A364	P316-N320 PolarHBondContact O-N 2.79Å; P316-N320 PolarHBondContact O-ND2 3.17Å; K317-N320 PolarHBondContact O-N 2.7Å; V318-N320 VanDerWaalsContact C-N 3.33Å; V318-N320 PolarHBondContact O-N 3.36Å; N320-N322 PolarHBondContact O-N 3.29Å; N320-A364 PolarHBondContact ND2-O 2.87Å
321	S	83.8	Confident	86.6	Confident	64 Å²	64	32.1 Å²	32.1	45%	0.448	18%	0.18	S	C	.	.	S	Bend	trans	-89	10.2	-170.5	63.3	0	0	0	0	115.8	K317 V318	K317-S321 WeakPolarHBondContact O-CB 3.32Å; K317-S321 PolarHBondContact O-N 3.16Å; K317-S321 PolarHBondContact O-OG 2.89Å; K317-S321 VanDerWaalsContact O-OG 3.14Å; V318-S321 PolarHBondContact O-N 3.45Å; V318-S321 PolarHBondContact O-OG 3.46Å
322	N	83.7	Confident	88.2	Confident	129 Å²	129	30 Å²	30	69%	0.69	17%	0.165	S	C	*	.			trans	48.6	55.9	-172.5	-68.8	-50.3	0	0	0	113.5	N320	N320-N322 PolarHBondContact O-N 3.29Å
323	P	86.1	Confident	89.4	Confident	14 Å²	14	28.1 Å²	28.1	9%	0.091	15%	0.154	C	C	.	.			trans	-71.6	169.2	-177.4	35.4	-40.3	0	0	0	111.5	V318 I327 K328	V318-P323 HydrophobicContact CG1-CB 4.49Å; V318-P323 HydrophobicContact CG1-CG 4.17Å; V318-P323 WeakPolarHBondContact O-CD 3.18Å; V318-P323 WeakPolarHBondContact O-CG 3.39Å; P323-I327 HydrophobicContact CB-CB 4.09Å; P323-I327 HydrophobicContact CB-CG2 3.87Å; P323-I327 HydrophobicContact CG-CG2 4.29Å; P323-K328 HydrophobicContact CG-CB 4.07Å
324	P	89.3	Confident	90.3	Very high	21 Å²	21	25 Å²	25	14%	0.136	14%	0.14	C	C	.	.			trans	-55	146.1	176.3	-25.4	36.6	0	0	0	111.4	S13 L17 I326 I327 K328	S13-P324 WeakPolarHBondContact OG-CD 3.21Å; S13-P324 WeakPolarHBondContact OG-CG 3.39Å; L17-P324 HydrophobicContact CB-CG 4.32Å; L17-P324 HydrophobicContact CD1-CB 4.31Å; L17-P324 HydrophobicContact CD1-CG 4.48Å; L17-P324 HydrophobicContact CD2-CG 4.45Å; P324-I326 PolarHBondContact O-N 3.16Å; P324-I327 HydrophobicContact CB-CG1 4.48Å; P324-I327 WeakPolarHBondContact O-CA 3.49Å; P324-I327 WeakPolarHBondContact O-CB 3.39Å; P324-I327 PolarHBondContact O-N 3.24Å; P324-K328 PolarHBondContact O-N 3.03Å
325	P	90.6	Very high	90.7	Very high	84 Å²	84	24.7 Å²	24.7	55%	0.545	14%	0.138	S	C	.	.	H	α-helix	trans	-52.2	-36.9	-171.1	-30.9	35.9	0	0	0	114.7	V94 K328 Y329	V94-P325 HydrophobicContact CB-CB 4.24Å; V94-P325 HydrophobicContact CG2-CB 4.45Å; P325-K328 PolarHBondContact O-N 3.25Å; P325-Y329 WeakPolarHBondContact O-CD2 3.41Å; P325-Y329 PolarHBondContact O-N 3.35Å
326	I	91.9	Very high	91	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-66.4	-38	178	-168.6	143.7	0	0	0	113	L17 L21 Y92 V94 L192 F194 A295 P324 Y329 L330	L17-I326 HydrophobicContact CD1-CG2 3.6Å; L21-I326 HydrophobicContact CD1-CG2 4.35Å; L21-I326 HydrophobicContact CD2-CD1 3.81Å; L21-I326 HydrophobicContact CD2-CG1 4.14Å; L21-I326 HydrophobicContact CD2-CG2 3.95Å; Y92-I326 HydrophobicContact CD2-CD1 4.38Å; Y92-I326 HydrophobicContact CE2-CB 4.16Å; Y92-I326 HydrophobicContact CE2-CD1 3.95Å; Y92-I326 HydrophobicContact CE2-CG2 4.24Å; V94-I326 HydrophobicContact CG2-CB 3.72Å; V94-I326 HydrophobicContact CG2-CD1 4.2Å; V94-I326 HydrophobicContact CG2-CG1 4.22Å; L192-I326 HydrophobicContact CD1-CD1 3.64Å; F194-I326 HydrophobicContact CZ-CG1 4.39Å; A295-I326 HydrophobicContact CB-CD1 4.31Å; P324-I326 PolarHBondContact O-N 3.16Å; I326-Y329 PolarHBondContact O-N 3.15Å; I326-L330 HydrophobicContact CG1-CD1 4.37Å; I326-L330 WeakPolarHBondContact O-CG 3.46Å; I326-L330 PolarHBondContact O-N 2.98Å
327	I	92.2	Very high	91.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.8	-40.9	175.1	-59.2	-59.1	0	0	0	110	I16 L17 V20 L21 F301 V318 P323 P324 Y329 L330 A331	I16-I327 HydrophobicContact CG2-CG2 4.23Å; L17-I327 HydrophobicContact CD1-CD1 4.19Å; L17-I327 HydrophobicContact CD1-CG1 3.99Å; V20-I327 HydrophobicContact CB-CD1 3.88Å; V20-I327 HydrophobicContact CG1-CD1 4.15Å; V20-I327 HydrophobicContact CG2-CD1 4.22Å; L21-I327 HydrophobicContact CD1-CD1 3.72Å; F301-I327 HydrophobicContact CE1-CG2 4.42Å; F301-I327 HydrophobicContact CZ-CG2 4.22Å; V318-I327 HydrophobicContact CG1-CG2 3.74Å; P323-I327 HydrophobicContact CB-CB 4.09Å; P323-I327 HydrophobicContact CB-CG2 3.87Å; P323-I327 HydrophobicContact CG-CG2 4.29Å; P324-I327 HydrophobicContact CB-CG1 4.48Å; P324-I327 WeakPolarHBondContact O-CA 3.49Å; P324-I327 WeakPolarHBondContact O-CB 3.39Å; P324-I327 PolarHBondContact O-N 3.24Å; I327-Y329 VanDerWaalsContact C-N 3.31Å; I327-Y329 PolarHBondContact O-N 3.36Å; I327-L330 HydrophobicContact CD1-CD1 4.45Å; I327-L330 PolarHBondContact O-N 2.86Å; I327-A331 WeakPolarHBondContact O-CB 3.44Å; I327-A331 PolarHBondContact O-N 3.25Å
328	K	92.9	Very high	91.6	Very high	28 Å²	28	23.7 Å²	23.7	12%	0.122	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-40.1	174.9	-164.9	162	-173.5	162.9	0	112	P323 P324 P325 L332 E368	P323-K328 HydrophobicContact CG-CB 4.07Å; P324-K328 PolarHBondContact O-N 3.03Å; P325-K328 PolarHBondContact O-N 3.25Å; K328-L332 HydrophobicContact CG-CD1 4.18Å; K328-L332 WeakPolarHBondContact O-CB 3.44Å; K328-L332 WeakPolarHBondContact O-CG 3.32Å; K328-L332 PolarHBondContact O-N 3.1Å; K328-E368 WeakPolarHBondContact CE-OE1 3.31Å; K328-E368 IonicContact NZ-OE1 3.36Å; K328-E368 PolarHBondContact NZ-OE1 3.44Å
329	Y	93.8	Very high	91.9	Very high	7 Å²	7	23.7 Å²	23.7	3%	0.027	14%	0.135	C	C	.	.	H	α-helix	trans	-67	-44.7	175.9	-89.4	-123.7	0	0	0	112	V94 F194 P325 I326 I327 A331 L332 Q333 D557 Q559 M560 W563	V94-Y329 HydrophobicContact CG1-CD1 3.36Å; V94-Y329 HydrophobicContact CG1-CD2 3.53Å; V94-Y329 HydrophobicContact CG1-CE1 3.54Å; V94-Y329 HydrophobicContact CG1-CE2 3.71Å; V94-Y329 HydrophobicContact CG1-CG 3.36Å; F194-Y329 AromaticContact CD2-CD1 3.99Å; F194-Y329 HydrophobicContact CD2-CD1 3.99Å; F194-Y329 AromaticContact CE2-CD1 3.77Å; F194-Y329 HydrophobicContact CE2-CD1 3.77Å; F194-Y329 HydrophobicContact CE2-CG 4.22Å; P325-Y329 WeakPolarHBondContact O-CD2 3.41Å; P325-Y329 PolarHBondContact O-N 3.35Å; I326-Y329 PolarHBondContact O-N 3.15Å; I327-Y329 VanDerWaalsContact C-N 3.31Å; I327-Y329 PolarHBondContact O-N 3.36Å; Y329-A331 PolarHBondContact O-N 3.4Å; Y329-L332 PolarHBondContact O-N 3.33Å; Y329-Q333 WeakPolarHBondContact O-CB 3.25Å; Y329-Q333 PolarHBondContact O-N 2.83Å; Y329-D557 WeakPolarHBondContact OH-CA 3.38Å; Y329-D557 PolarHBondContact OH-O 2.69Å; Y329-Q559 HydrophobicContact CE1-CB 4.07Å; Y329-Q559 HydrophobicContact CE1-CG 4.44Å; Y329-M560 HydrophobicContact CD2-CB 4.31Å; Y329-M560 HydrophobicContact CE2-CB 3.76Å; Y329-M560 HydrophobicContact CE2-CG 4.41Å; Y329-M560 HydrophobicContact CE2-SD 3.9Å; Y329-W563 HydrophobicContact CD1-CH2 4.13Å; Y329-W563 AromaticContact CD1-CZ3 3.58Å; Y329-W563 HydrophobicContact CD1-CZ3 3.58Å; Y329-W563 HydrophobicContact CE1-CZ3 4.43Å; Y329-W563 AromaticContact CG-CZ3 3.96Å; Y329-W563 HydrophobicContact CG-CZ3 3.96Å; Y329-W563 WeakPolarHBondContact O-CZ3 3.16Å
330	L	94.1	Very high	92.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.7	-43	174.7	-74.1	166.6	0	0	0	112	V20 L21 F194 E297 H299 F301 I326 I327 Q333 D334	V20-L330 HydrophobicContact CG1-CD1 4.24Å; L21-L330 HydrophobicContact CD1-CD1 4.01Å; F194-L330 HydrophobicContact CE1-CD2 3.83Å; F194-L330 HydrophobicContact CE1-CG 4.13Å; E297-L330 WeakPolarHBondContact O-CD2 3.44Å; H299-L330 HydrophobicContact CB-CD2 4.42Å; F301-L330 HydrophobicContact CE2-CB 4.02Å; F301-L330 HydrophobicContact CZ-CB 4.28Å; I326-L330 HydrophobicContact CG1-CD1 4.37Å; I326-L330 WeakPolarHBondContact O-CG 3.46Å; I326-L330 PolarHBondContact O-N 2.98Å; I327-L330 HydrophobicContact CD1-CD1 4.45Å; I327-L330 PolarHBondContact O-N 2.86Å; L330-Q333 PolarHBondContact O-N 2.9Å; L330-D334 PolarHBondContact O-N 3.49Å
331	A	94.4	Very high	92.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-41.7	178.6	0	0	0	0	0	112.4	F301 L315 V318 L319 I327 Y329 D334 L335	F301-A331 HydrophobicContact CD2-CB 4.19Å; F301-A331 VanDerWaalsContact CE2-CA 3.49Å; F301-A331 HydrophobicContact CE2-CB 3.89Å; F301-A331 HydrophobicContact CZ-CB 4.27Å; L315-A331 HydrophobicContact CD1-CB 3.94Å; L315-A331 WeakPolarHBondContact CD1-O 3.38Å; V318-A331 HydrophobicContact CG1-CB 3.98Å; L319-A331 HydrophobicContact CD2-CB 3.83Å; L319-A331 HydrophobicContact CG-CB 4.34Å; I327-A331 WeakPolarHBondContact O-CB 3.44Å; I327-A331 PolarHBondContact O-N 3.25Å; Y329-A331 PolarHBondContact O-N 3.4Å; A331-D334 PolarHBondContact O-N 2.94Å; A331-L335 WeakPolarHBondContact O-CB 3.25Å; A331-L335 PolarHBondContact O-N 3.49Å
332	L	95.2	Very high	92.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.7	-35.7	175.2	-72	169.2	0	0	0	112.4	L319 K328 Y329 L335 M336 L372 M560 W563 A564	L319-L332 HydrophobicContact CD2-CD2 3.67Å; L319-L332 HydrophobicContact CD2-CG 3.81Å; K328-L332 HydrophobicContact CG-CD1 4.18Å; K328-L332 WeakPolarHBondContact O-CB 3.44Å; K328-L332 WeakPolarHBondContact O-CG 3.32Å; K328-L332 PolarHBondContact O-N 3.1Å; Y329-L332 PolarHBondContact O-N 3.33Å; L332-L335 HydrophobicContact CD2-CD2 4.24Å; L332-L335 PolarHBondContact O-N 3.1Å; L332-M336 PolarHBondContact O-N 3.05Å; L332-L372 HydrophobicContact CD1-CD1 3.86Å; L332-L372 HydrophobicContact CD2-CD1 4.09Å; L332-M560 HydrophobicContact CD1-CB 3.75Å; L332-W563 HydrophobicContact CB-CB 4Å; L332-W563 HydrophobicContact CB-CE3 4.03Å; L332-A564 HydrophobicContact CD2-CB 4.11Å
333	Q	94.6	Very high	93.4	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.023	14%	0.137	C	C	.	.	H	α-helix	trans	-62.6	-43.8	172.4	-179.4	172.4	58.8	0	0	111.5	Y329 L330 M336 L337 W563	Y329-Q333 WeakPolarHBondContact O-CB 3.25Å; Y329-Q333 PolarHBondContact O-N 2.83Å; L330-Q333 PolarHBondContact O-N 2.9Å; Q333-M336 PolarHBondContact O-N 3.37Å; Q333-L337 HydrophobicContact CG-CD1 4.23Å; Q333-L337 WeakPolarHBondContact O-CG 3.45Å; Q333-L337 PolarHBondContact O-N 2.78Å; Q333-W563 HydrophobicContact CB-CD2 4.18Å; Q333-W563 HydrophobicContact CB-CE3 4.14Å; Q333-W563 HydrophobicContact CB-CH2 4.03Å; Q333-W563 HydrophobicContact CB-CZ2 4.08Å; Q333-W563 HydrophobicContact CB-CZ3 4.06Å; Q333-W563 HydrophobicContact CG-CZ2 4.22Å
334	D	94.9	Very high	93.7	Very high	5 Å²	5	29 Å²	29	3%	0.027	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-40.9	175	-176.7	37.8	0	0	0	112.2	H299 F301 L330 A331 M336 L337 L338 R345	H299-D334 WeakPolarHBondContact O-CB 3.42Å; F301-D334 HydrophobicContact CD2-CB 4.1Å; F301-D334 PolarHBondContact N-OD2 3.42Å; L330-D334 PolarHBondContact O-N 3.49Å; A331-D334 PolarHBondContact O-N 2.94Å; D334-M336 VanDerWaalsContact C-N 3.31Å; D334-M336 PolarHBondContact O-N 3.45Å; D334-L337 PolarHBondContact O-N 3.16Å; D334-L337 VanDerWaalsContact O-N 3.16Å; D334-L338 WeakPolarHBondContact O-CB 3.28Å; D334-L338 PolarHBondContact O-N 2.85Å; D334-R345 VanDerWaalsContact CG-NH2 3.33Å; D334-R345 IonicContact OD1-CZ 2.8Å; D334-R345 IonicContact OD1-NH1 3.99Å; D334-R345 PolarHBondContact OD1-NH1 2.98Å; D334-R345 IonicContact OD1-NH2 3.66Å; D334-R345 PolarHBondContact OD1-NH2 3.49Å; D334-R345 IonicContact OD2-CZ 2.72Å; D334-R345 IonicContact OD2-NH1 3.65Å; D334-R345 IonicContact OD2-NH2 3.45Å; D334-R345 PolarHBondContact OD2-NH2 3.03Å
335	L	95.8	Very high	94	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.8	-44.1	173.6	177.6	63.9	0	0	0	111.9	L315 L319 A331 L332 S339 I365 C369 L571	L315-L335 HydrophobicContact CD2-CB 4.27Å; L315-L335 HydrophobicContact CD2-CD1 4.14Å; L319-L335 HydrophobicContact CD1-CD2 4.14Å; A331-L335 WeakPolarHBondContact O-CB 3.25Å; A331-L335 PolarHBondContact O-N 3.49Å; L332-L335 HydrophobicContact CD2-CD2 4.24Å; L332-L335 PolarHBondContact O-N 3.1Å; L335-S339 VanDerWaalsContact O-CB 3.29Å; L335-S339 WeakPolarHBondContact O-CB 3.16Å; L335-S339 PolarHBondContact O-N 2.86Å; L335-S339 PolarHBondContact O-OG 3.35Å; L335-I365 HydrophobicContact CD1-CD1 4.34Å; L335-I365 HydrophobicContact CD1-CG2 3.68Å; L335-I365 HydrophobicContact CD2-CG2 3.93Å; L335-I365 HydrophobicContact CG-CG2 4.48Å; L335-C369 VanDerWaalsContact CD2-SG 3.6Å; L335-L571 HydrophobicContact CD1-CD1 4Å
336	M	95.1	Very high	94.2	Very high	25 Å²	25	27 Å²	27	12%	0.123	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-49.8	173.9	-178.1	-161.6	69.8	0	0	111.1	L332 Q333 D334 S339 Q340 W563 E566	L332-M336 PolarHBondContact O-N 3.05Å; Q333-M336 PolarHBondContact O-N 3.37Å; D334-M336 VanDerWaalsContact C-N 3.31Å; D334-M336 PolarHBondContact O-N 3.45Å; M336-S339 PolarHBondContact O-N 3Å; M336-S339 PolarHBondContact O-OG 3.3Å; M336-Q340 PolarHBondContact O-N 3.24Å; M336-Q340 VanDerWaalsContact O-N 3.13Å; M336-W563 HydrophobicContact CB-CB 4.4Å; M336-W563 HydrophobicContact SD-CG 4.42Å; M336-E566 HydrophobicContact CG-CB 3.96Å; M336-E566 HydrophobicContact SD-CB 4.42Å
337	L	93.9	Very high	94.2	Very high	51 Å²	51	31.8 Å²	31.8	27%	0.267	16%	0.157	S	C	.	.	H	α-helix	trans	-65.4	-40.3	-178.5	-67.2	172.3	0	0	0	113	A298 Q333 D334 Q340 Y341	A298-L337 HydrophobicContact CB-CD1 4.44Å; Q333-L337 HydrophobicContact CG-CD1 4.23Å; Q333-L337 WeakPolarHBondContact O-CG 3.45Å; Q333-L337 PolarHBondContact O-N 2.78Å; D334-L337 PolarHBondContact O-N 3.16Å; D334-L337 VanDerWaalsContact O-N 3.16Å; L337-Q340 PolarHBondContact O-N 2.89Å; L337-Y341 HydrophobicContact CD2-CD2 4.14Å; L337-Y341 HydrophobicContact CD2-CE2 3.91Å; L337-Y341 WeakPolarHBondContact O-CD2 3.42Å; L337-Y341 PolarHBondContact O-N 2.8Å
338	L	95	Very high	94.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-53.8	-55.6	170.9	176.5	168.2	0	0	0	110	V303 L315 D334 Q340 Y341 S342 R345 R346 V349 L571	V303-L338 HydrophobicContact CG2-CD1 3.53Å; L315-L338 HydrophobicContact CD2-CD1 3.78Å; D334-L338 WeakPolarHBondContact O-CB 3.28Å; D334-L338 PolarHBondContact O-N 2.85Å; L338-Q340 PolarHBondContact O-N 3.48Å; L338-Y341 PolarHBondContact O-N 3.11Å; L338-S342 PolarHBondContact O-N 3.37Å; L338-S342 VanDerWaalsContact O-N 3.09Å; L338-R345 HydrophobicContact CD1-CB 3.95Å; L338-R345 HydrophobicContact CD2-CB 4.39Å; L338-R345 HydrophobicContact CG-CB 3.72Å; L338-R346 HydrophobicContact CD2-CG 3.85Å; L338-V349 HydrophobicContact CD1-CG2 4.39Å; L338-V349 HydrophobicContact CD2-CG2 4.34Å; L338-L571 HydrophobicContact CD2-CD2 4.02Å
339	S	95.3	Very high	94.2	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-34.2	-174.8	73.9	0	0	0	0	112.4	L335 M336 R346 G567 H570	L335-S339 VanDerWaalsContact O-CB 3.29Å; L335-S339 WeakPolarHBondContact O-CB 3.16Å; L335-S339 PolarHBondContact O-N 2.86Å; L335-S339 PolarHBondContact O-OG 3.35Å; M336-S339 PolarHBondContact O-N 3Å; M336-S339 PolarHBondContact O-OG 3.3Å; S339-R346 WeakPolarHBondContact O-CD 3.24Å; S339-R346 PolarHBondContact O-NH1 3.44Å; S339-G567 WeakPolarHBondContact CB-O 3.41Å; S339-G567 WeakPolarHBondContact OG-CA 3.39Å; S339-H570 VanDerWaalsContact OG-CB 3.31Å; S339-H570 WeakPolarHBondContact OG-CB 3.47Å
340	Q	93.7	Very high	94.2	Very high	48 Å²	48	33.1 Å²	33.1	22%	0.224	16%	0.164	C	C	.	.	H	α-helix	trans	-77.8	-54.6	178.5	-75.5	172.1	-1.9	0	0	112.3	M336 L337 L338 R346 H570	M336-Q340 PolarHBondContact O-N 3.24Å; M336-Q340 VanDerWaalsContact O-N 3.13Å; L337-Q340 PolarHBondContact O-N 2.89Å; L338-Q340 PolarHBondContact O-N 3.48Å; Q340-R346 PolarHBondContact O-NH1 2.74Å; Q340-H570 WeakPolarHBondContact CG-CD2 3.36Å; Q340-H570 VanDerWaalsContact CG-NE2 3.29Å; Q340-H570 WeakPolarHBondContact CG-NE2 3.46Å; Q340-H570 PolarHBondContact NE2-CD2 2.93Å; Q340-H570 PolarHBondContact NE2-NE2 3.48Å
341	Y	94.1	Very high	94.1	Very high	174 Å²	174	34.3 Å²	34.3	68%	0.682	17%	0.172	S	C	*	.	H	α-helix	trans	-112.4	-10.3	-157.9	-55.4	-66.6	0	0	0	115.5	L337 L338 P343	L337-Y341 HydrophobicContact CD2-CD2 4.14Å; L337-Y341 HydrophobicContact CD2-CE2 3.91Å; L337-Y341 WeakPolarHBondContact O-CD2 3.42Å; L337-Y341 PolarHBondContact O-N 2.8Å; L338-Y341 PolarHBondContact O-N 3.11Å; Y341-P343 WeakPolarHBondContact O-CD 3.43Å
342	S	94.9	Very high	93.9	Very high	27 Å²	27	36.6 Å²	36.6	19%	0.189	18%	0.184	C	C	.	.			trans	-120.6	87.6	-169.2	-167.1	0	0	0	0	113.4	L338 S344 R345 R346	L338-S342 PolarHBondContact O-N 3.37Å; L338-S342 VanDerWaalsContact O-N 3.09Å; S342-S344 VanDerWaalsContact C-N 3.32Å; S342-S344 PolarHBondContact O-N 3.49Å; S342-R345 PolarHBondContact O-N 3.31Å; S342-R345 WeakPolarHBondContact OG-CB 3.4Å; S342-R345 WeakPolarHBondContact OG-CD 3.42Å; S342-R345 WeakPolarHBondContact OG-CG 3.43Å; S342-R346 WeakPolarHBondContact O-CG 3.47Å; S342-R346 PolarHBondContact O-N 2.87Å
343	P	93.9	Very high	93.3	Very high	61 Å²	61	38.3 Å²	38.3	40%	0.396	20%	0.196	S	C	.	.	H	α-helix	trans	-61.8	-35	-179.7	23.6	-33.1	0	0	0	113.4	Y341 R346 Q347	Y341-P343 WeakPolarHBondContact O-CD 3.43Å; P343-R346 PolarHBondContact O-N 3.33Å; P343-Q347 WeakPolarHBondContact O-CG 3.47Å; P343-Q347 PolarHBondContact O-N 3.35Å
344	S	92.8	Very high	92.6	Very high	71 Å²	71	46.8 Å²	46.8	50%	0.497	24%	0.236	S	C	.	.	H	α-helix	trans	-61.2	-51.1	175.6	48.3	0	0	0	0	112	S342 R346 Q347 E348	S342-S344 VanDerWaalsContact C-N 3.32Å; S342-S344 PolarHBondContact O-N 3.49Å; S344-R346 VanDerWaalsContact C-N 3.28Å; S344-R346 PolarHBondContact O-N 3.38Å; S344-Q347 WeakPolarHBondContact O-CB 3.49Å; S344-Q347 PolarHBondContact O-N 2.72Å; S344-Q347 VanDerWaalsContact O-N 3.13Å; S344-E348 PolarHBondContact O-N 3.18Å; S344-E348 VanDerWaalsContact O-N 3.15Å
345	R	94.1	Very high	91.5	Very high	33 Å²	33	52.3 Å²	52.3	13%	0.125	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-28.2	177.8	-65.8	176.1	72.3	-154.1	2.5	112.5	F301 V303 D334 L338 S342 E348 V349	F301-R345 PolarHBondContact O-NH2 3.41Å; V303-R345 HydrophobicContact CG2-CB 4.25Å; D334-R345 VanDerWaalsContact CG-NH2 3.33Å; D334-R345 IonicContact OD1-CZ 2.8Å; D334-R345 IonicContact OD1-NH1 3.99Å; D334-R345 PolarHBondContact OD1-NH1 2.98Å; D334-R345 IonicContact OD1-NH2 3.66Å; D334-R345 PolarHBondContact OD1-NH2 3.49Å; D334-R345 IonicContact OD2-CZ 2.72Å; D334-R345 IonicContact OD2-NH1 3.65Å; D334-R345 IonicContact OD2-NH2 3.45Å; D334-R345 PolarHBondContact OD2-NH2 3.03Å; L338-R345 HydrophobicContact CD1-CB 3.95Å; L338-R345 HydrophobicContact CD2-CB 4.39Å; L338-R345 HydrophobicContact CG-CB 3.72Å; S342-R345 PolarHBondContact O-N 3.31Å; S342-R345 WeakPolarHBondContact OG-CB 3.4Å; S342-R345 WeakPolarHBondContact OG-CD 3.42Å; S342-R345 WeakPolarHBondContact OG-CG 3.43Å; R345-E348 PolarHBondContact O-N 3.19Å; R345-V349 WeakPolarHBondContact O-CG2 3.21Å; R345-V349 PolarHBondContact O-N 3.46Å
346	R	95.2	Very high	90.5	Very high	28 Å²	28	54.9 Å²	54.9	11%	0.106	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-42.9	170.6	-72.2	-164.8	-63	-104.7	1.6	112.2	L338 S339 Q340 S342 P343 S344 E348 V349 F350 L571 E578	L338-R346 HydrophobicContact CD2-CG 3.85Å; S339-R346 WeakPolarHBondContact O-CD 3.24Å; S339-R346 PolarHBondContact O-NH1 3.44Å; Q340-R346 PolarHBondContact O-NH1 2.74Å; S342-R346 WeakPolarHBondContact O-CG 3.47Å; S342-R346 PolarHBondContact O-N 2.87Å; P343-R346 PolarHBondContact O-N 3.33Å; S344-R346 VanDerWaalsContact C-N 3.28Å; S344-R346 PolarHBondContact O-N 3.38Å; R346-E348 VanDerWaalsContact C-N 3.29Å; R346-E348 PolarHBondContact O-N 2.83Å; R346-V349 WeakPolarHBondContact O-CA 3.38Å; R346-V349 WeakPolarHBondContact O-CB 3.5Å; R346-V349 PolarHBondContact O-N 2.63Å; R346-F350 HydrophobicContact CB-CE2 4.01Å; R346-F350 WeakPolarHBondContact O-CD2 3.47Å; R346-F350 WeakPolarHBondContact O-CG 3.39Å; R346-F350 PolarHBondContact O-N 3.24Å; R346-F350 VanDerWaalsContact O-N 3.08Å; R346-L571 HydrophobicContact CB-CD2 4.41Å; R346-L571 HydrophobicContact CG-CD2 3.77Å; R346-E578 VanDerWaalsContact CB-OE2 3.27Å; R346-E578 WeakPolarHBondContact CB-OE2 3.41Å; R346-E578 IonicContact CZ-OE1 2.73Å; R346-E578 IonicContact CZ-OE2 2.66Å; R346-E578 IonicContact NE-OE1 3.79Å; R346-E578 PolarHBondContact NE-OE1 3.47Å; R346-E578 IonicContact NE-OE2 2.75Å; R346-E578 PolarHBondContact NE-OE2 3Å; R346-E578 IonicContact NH2-OE1 3.85Å; R346-E578 PolarHBondContact NH2-OE1 2.7Å; R346-E578 IonicContact NH2-OE2 3.83Å
347	Q	92.4	Very high	90	Very high	102 Å²	102	55.5 Å²	55.5	48%	0.477	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-36.9	174.8	-67.8	169.4	19.6	0	0	112	P343 S344 V349 F350 S351	P343-Q347 WeakPolarHBondContact O-CG 3.47Å; P343-Q347 PolarHBondContact O-N 3.35Å; S344-Q347 WeakPolarHBondContact O-CB 3.49Å; S344-Q347 PolarHBondContact O-N 2.72Å; S344-Q347 VanDerWaalsContact O-N 3.13Å; Q347-V349 VanDerWaalsContact C-N 3.3Å; Q347-V349 PolarHBondContact O-N 3.06Å; Q347-F350 PolarHBondContact O-N 3.33Å; Q347-S351 PolarHBondContact O-N 2.93Å
348	E	91.9	Very high	89.7	Confident	60 Å²	60	58.2 Å²	58.2	28%	0.28	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-33.2	171	-67.3	169	-128.9	0	0	113	V303 Q304 S344 R345 R346 S351 N361	V303-E348 HydrophobicContact CB-CB 4Å; V303-E348 WeakPolarHBondContact CB-OE2 3.49Å; V303-E348 HydrophobicContact CG1-CB 3.97Å; Q304-E348 HydrophobicContact CG-CB 4.48Å; S344-E348 PolarHBondContact O-N 3.18Å; S344-E348 VanDerWaalsContact O-N 3.15Å; R345-E348 PolarHBondContact O-N 3.19Å; R346-E348 VanDerWaalsContact C-N 3.29Å; R346-E348 PolarHBondContact O-N 2.83Å; E348-S351 PolarHBondContact O-OG 2.8Å; E348-N361 PolarHBondContact O-ND2 2.87Å
349	V	93.6	Very high	89.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-70.1	-39.6	175.3	171.5	0	0	0	0	111.8	V303 L338 R345 R346 Q347 S351 W362 I365 L571	V303-V349 HydrophobicContact CG1-CG2 3.74Å; V303-V349 HydrophobicContact CG2-CG2 4.26Å; L338-V349 HydrophobicContact CD1-CG2 4.39Å; L338-V349 HydrophobicContact CD2-CG2 4.34Å; R345-V349 WeakPolarHBondContact O-CG2 3.21Å; R345-V349 PolarHBondContact O-N 3.46Å; R346-V349 WeakPolarHBondContact O-CA 3.38Å; R346-V349 WeakPolarHBondContact O-CB 3.5Å; R346-V349 PolarHBondContact O-N 2.63Å; Q347-V349 VanDerWaalsContact C-N 3.3Å; Q347-V349 PolarHBondContact O-N 3.06Å; V349-S351 VanDerWaalsContact C-N 3.33Å; V349-W362 HydrophobicContact CG1-CE3 4.05Å; V349-W362 PolarHBondContact O-N 3.01Å; V349-W362 VanDerWaalsContact O-N 3.16Å; V349-I365 HydrophobicContact CG1-CD1 4.01Å; V349-I365 HydrophobicContact CG2-CD1 3.76Å; V349-L571 HydrophobicContact CG1-CD1 4.33Å; V349-L571 HydrophobicContact CG1-CD2 4.43Å
350	F	93.9	Very high	89.2	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.018	36%	0.356	C	S	.	.	H	α-helix	trans	-80.4	-11.9	178.7	-52.6	-43.8	0	0	0	113.9	R346 Q347 W362 L571 E578 D579 V584	R346-F350 HydrophobicContact CB-CE2 4.01Å; R346-F350 WeakPolarHBondContact O-CD2 3.47Å; R346-F350 WeakPolarHBondContact O-CG 3.39Å; R346-F350 PolarHBondContact O-N 3.24Å; R346-F350 VanDerWaalsContact O-N 3.08Å; Q347-F350 PolarHBondContact O-N 3.33Å; F350-W362 HydrophobicContact CE1-CE3 4.28Å; F350-W362 HydrophobicContact CE1-CZ3 4.4Å; F350-L571 HydrophobicContact CE1-CD2 4.42Å; F350-L571 HydrophobicContact CZ-CB 4.5Å; F350-L571 HydrophobicContact CZ-CD2 4.16Å; F350-L571 WeakPolarHBondContact CZ-O 3.39Å; F350-E578 HydrophobicContact CD2-CB 4.1Å; F350-E578 HydrophobicContact CE2-CB 3.83Å; F350-D579 HydrophobicContact CB-CB 4.39Å; F350-D579 HydrophobicContact CD1-CB 4.41Å; F350-D579 HydrophobicContact CD2-CB 4.27Å; F350-D579 HydrophobicContact CG-CB 4.11Å; F350-V584 HydrophobicContact CD1-CG2 3.74Å; F350-V584 HydrophobicContact CE1-CG2 3.62Å
351	S	91.2	Very high	89.1	Confident	24 Å²	24	64 Å²	64	17%	0.168	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-63.9	152.3	-179.6	70.4	0	0	0	0	114.1	Q304 Q347 E348 V349	Q304-S351 PolarHBondContact NE2-OG 3.34Å; Q347-S351 PolarHBondContact O-N 2.93Å; E348-S351 PolarHBondContact O-OG 2.8Å; V349-S351 VanDerWaalsContact C-N 3.33Å
352	L	89.8	Confident	89.1	Confident	49 Å²	49	55.8 Å²	55.8	26%	0.257	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-95.8	144.4	176.5	-55.9	-178.5	0	0	0	111.1	P359 F581 V583	L352-P359 HydrophobicContact CD2-CB 3.86Å; L352-P359 HydrophobicContact CD2-CG 4.43Å; L352-F581 HydrophobicContact CD1-CB 4.28Å; L352-F581 HydrophobicContact CD1-CD1 3.51Å; L352-F581 HydrophobicContact CD1-CD2 4.28Å; L352-F581 HydrophobicContact CD1-CE1 3.81Å; L352-F581 HydrophobicContact CD1-CG 3.77Å; L352-F581 HydrophobicContact CD1-CZ 4.31Å; L352-F581 HydrophobicContact CD2-CB 4.34Å; L352-F581 HydrophobicContact CD2-CD2 4.47Å; L352-F581 HydrophobicContact CD2-CG 4.33Å; L352-F581 HydrophobicContact CG-CB 4.35Å; L352-F581 HydrophobicContact CG-CD1 4.05Å; L352-F581 HydrophobicContact CG-CD2 3.88Å; L352-F581 HydrophobicContact CG-CE1 4.29Å; L352-F581 HydrophobicContact CG-CE2 4.14Å; L352-F581 HydrophobicContact CG-CG 3.83Å; L352-F581 HydrophobicContact CG-CZ 4.33Å; L352-V583 HydrophobicContact CD2-CG2 3.75Å
353	S	83.6	Confident	89	Confident	36 Å²	36	56.6 Å²	56.6	25%	0.252	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-71.8	143.3	177.2	64.8	0	0	0	0	112.9	P355 G357 H358 H360	S353-P355 CarbonylContact O-C 3.56Å; S353-G357 WeakPolarHBondContact O-CA 3.43Å; S353-G357 PolarHBondContact O-N 3.44Å; S353-H358 PolarHBondContact N-O 3.11Å; S353-H358 PolarHBondContact OG-N 3.49Å; S353-H358 PolarHBondContact OG-O 3.42Å; S353-H360 PolarHBondContact OG-CD2 3.46Å; S353-H360 VanDerWaalsContact OG-CD2 3.27Å
354	Q	78.9	Confident	89	Confident	183 Å²	183	54.7 Å²	54.7	86%	0.855	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	128.8	172.6	-68.9	-78.1	-3	0	0	109.1
355	P	71.9	Confident	89.1	Confident	121 Å²	121	51.3 Å²	51.3	79%	0.786	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	cis	-75	168.9	-13.1	33.9	-35.3	0	0	0	112.3	S353	S353-P355 CarbonylContact O-C 3.56Å
356	G	75.5	Confident	89.1	Confident	53 Å²	53	50 Å²	50	55%	0.546	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.9	-18.6	167.7	0	0	0	0	0	116.3	H358	G356-H358 VanDerWaalsContact C-N 3.29Å; G356-H358 PolarHBondContact O-N 3.25Å
357	G	84.1	Confident	89.1	Confident	38 Å²	38	55 Å²	55	39%	0.392	31%	0.305	S	S	.	.			trans	67.9	25	172.1	0	0	0	0	0	114.5	S353	S353-G357 WeakPolarHBondContact O-CA 3.43Å; S353-G357 PolarHBondContact O-N 3.44Å
358	H	87.8	Confident	89.2	Confident	109 Å²	109	51.1 Å²	51.1	51%	0.505	29%	0.286	S	S	.	.			trans	-96.9	138.7	-176.6	-64.9	-44.9	0	0	0	112.4	S353 G356 H360	S353-H358 PolarHBondContact N-O 3.11Å; S353-H358 PolarHBondContact OG-N 3.49Å; S353-H358 PolarHBondContact OG-O 3.42Å; G356-H358 VanDerWaalsContact C-N 3.29Å; G356-H358 PolarHBondContact O-N 3.25Å; H358-H360 PolarHBondContact O-N 3.02Å
359	P	91.1	Very high	89.4	Confident	32 Å²	32	48.3 Å²	48.3	21%	0.208	27%	0.273	C	S	.	.			trans	-81.4	61.1	-179.7	33.1	-36	0	0	0	112.1	L352 N361 W362 T363 V583	L352-P359 HydrophobicContact CD2-CB 3.86Å; L352-P359 HydrophobicContact CD2-CG 4.43Å; P359-N361 VanDerWaalsContact C-N 3.32Å; P359-N361 PolarHBondContact O-N 3.44Å; P359-W362 HydrophobicContact CB-CB 4.38Å; P359-T363 VanDerWaalsContact O-CB 3.26Å; P359-T363 WeakPolarHBondContact O-CB 3.42Å; P359-T363 PolarHBondContact O-N 2.95Å; P359-T363 PolarHBondContact O-OG1 3.28Å; P359-V583 HydrophobicContact CB-CB 4.16Å; P359-V583 HydrophobicContact CB-CG1 3.36Å; P359-V583 HydrophobicContact CB-CG2 3.65Å; P359-V583 HydrophobicContact CG-CG1 3.82Å; P359-V583 HydrophobicContact CG-CG2 4.03Å
360	H	89.6	Confident	89.5	Confident	110 Å²	110	49.4 Å²	49.4	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-38.1	-175.2	-71.8	-49.7	0	0	0	113.1	S353 H358 T363 A364	S353-H360 PolarHBondContact OG-CD2 3.46Å; S353-H360 VanDerWaalsContact OG-CD2 3.27Å; H358-H360 PolarHBondContact O-N 3.02Å; H360-T363 PolarHBondContact O-N 3.24Å; H360-A364 WeakPolarHBondContact O-CB 3.47Å; H360-A364 PolarHBondContact O-N 3.02Å
361	N	91.1	Very high	89.5	Confident	30 Å²	30	53.2 Å²	53.2	16%	0.16	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-56.8	179.6	-70.4	-10.3	0	0	0	111.8	P316 E348 P359 T363 A364 I365	P316-N361 HydrophobicContact CG-CB 4.46Å; E348-N361 PolarHBondContact O-ND2 2.87Å; P359-N361 VanDerWaalsContact C-N 3.32Å; P359-N361 PolarHBondContact O-N 3.44Å; N361-T363 VanDerWaalsContact C-N 3.34Å; N361-T363 PolarHBondContact O-N 2.93Å; N361-A364 PolarHBondContact O-N 3.25Å; N361-I365 WeakPolarHBondContact O-CG1 3.3Å; N361-I365 PolarHBondContact O-N 3.06Å
362	W	94.3	Very high	89.7	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-54.7	-48.3	173.6	171.9	-108.4	0	0	0	112.2	V349 F350 P359 A364 I365 S366 L568 L571 V572 V583 V584 T587 I591	V349-W362 HydrophobicContact CG1-CE3 4.05Å; V349-W362 PolarHBondContact O-N 3.01Å; V349-W362 VanDerWaalsContact O-N 3.16Å; F350-W362 HydrophobicContact CE1-CE3 4.28Å; F350-W362 HydrophobicContact CE1-CZ3 4.4Å; P359-W362 HydrophobicContact CB-CB 4.38Å; W362-A364 VanDerWaalsContact C-N 3.32Å; W362-A364 PolarHBondContact O-N 3.33Å; W362-I365 PolarHBondContact O-N 3.36Å; W362-S366 VanDerWaalsContact O-CB 3.28Å; W362-S366 WeakPolarHBondContact O-CB 3.21Å; W362-S366 PolarHBondContact O-N 3.41Å; W362-S366 PolarHBondContact O-OG 2.89Å; W362-L568 HydrophobicContact CH2-CD1 3.75Å; W362-L568 HydrophobicContact CZ2-CD1 4.49Å; W362-L568 HydrophobicContact CZ3-CD1 4.29Å; W362-L571 HydrophobicContact CZ3-CB 3.88Å; W362-L571 HydrophobicContact CZ3-CD1 4.17Å; W362-V572 HydrophobicContact CH2-CG2 3.91Å; W362-V583 HydrophobicContact CB-CG1 3.79Å; W362-V583 HydrophobicContact CG-CG1 3.58Å; W362-V584 HydrophobicContact CD2-CG2 3.85Å; W362-V584 HydrophobicContact CE3-CG2 3.98Å; W362-V584 HydrophobicContact CH2-CB 4.43Å; W362-V584 HydrophobicContact CH2-CG1 3.83Å; W362-V584 HydrophobicContact CH2-CG2 3.91Å; W362-V584 HydrophobicContact CZ2-CB 4.05Å; W362-V584 HydrophobicContact CZ2-CG1 3.64Å; W362-V584 HydrophobicContact CZ2-CG2 3.78Å; W362-V584 HydrophobicContact CZ3-CG2 4.02Å; W362-T587 WeakPolarHBondContact CZ2-OG1 3.38Å; W362-T587 PolarHBondContact NE1-OG1 2.95Å; W362-I591 HydrophobicContact CH2-CD1 4.14Å; W362-I591 HydrophobicContact CZ2-CD1 3.75Å
363	T	93.3	Very high	90	Very high	44 Å²	44	50.6 Å²	50.6	27%	0.27	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-39.5	-176.5	-55.3	0	0	0	0	111.6	P359 H360 N361 S366 R367	P359-T363 VanDerWaalsContact O-CB 3.26Å; P359-T363 WeakPolarHBondContact O-CB 3.42Å; P359-T363 PolarHBondContact O-N 2.95Å; P359-T363 PolarHBondContact O-OG1 3.28Å; H360-T363 PolarHBondContact O-N 3.24Å; N361-T363 VanDerWaalsContact C-N 3.34Å; N361-T363 PolarHBondContact O-N 2.93Å; T363-S366 PolarHBondContact O-OG 3.29Å; T363-R367 WeakPolarHBondContact O-CB 3.31Å; T363-R367 PolarHBondContact O-N 3.19Å; T363-R367 VanDerWaalsContact O-N 3.14Å
364	A	91.9	Very high	90.6	Very high	20 Å²	20	51.7 Å²	51.7	17%	0.165	29%	0.287	C	S	.	.	H	α-helix	trans	-70.9	-40	178.5	0	0	0	0	0	112.8	P316 N320 H360 N361 W362 E368	P316-A364 HydrophobicContact CB-CB 3.82Å; N320-A364 PolarHBondContact ND2-O 2.87Å; H360-A364 WeakPolarHBondContact O-CB 3.47Å; H360-A364 PolarHBondContact O-N 3.02Å; N361-A364 PolarHBondContact O-N 3.25Å; W362-A364 VanDerWaalsContact C-N 3.32Å; W362-A364 PolarHBondContact O-N 3.33Å; A364-E368 PolarHBondContact O-N 3.13Å
365	I	94.8	Very high	91.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-71.1	-52	178.1	-69.9	171.1	0	0	0	111	P316 L319 L335 V349 N361 W362 R367 E368 C369 L571	P316-I365 HydrophobicContact CB-CG1 4.12Å; P316-I365 HydrophobicContact CG-CD1 4.11Å; P316-I365 HydrophobicContact CG-CG1 4.19Å; L319-I365 HydrophobicContact CD1-CG1 4.37Å; L335-I365 HydrophobicContact CD1-CD1 4.34Å; L335-I365 HydrophobicContact CD1-CG2 3.68Å; L335-I365 HydrophobicContact CD2-CG2 3.93Å; L335-I365 HydrophobicContact CG-CG2 4.48Å; V349-I365 HydrophobicContact CG1-CD1 4.01Å; V349-I365 HydrophobicContact CG2-CD1 3.76Å; N361-I365 WeakPolarHBondContact O-CG1 3.3Å; N361-I365 PolarHBondContact O-N 3.06Å; W362-I365 PolarHBondContact O-N 3.36Å; I365-R367 PolarHBondContact O-N 2.72Å; I365-E368 PolarHBondContact O-N 3.16Å; I365-C369 PolarHBondContact O-N 3.12Å; I365-C369 PolarHBondContact O-SG 2.93Å; I365-L571 HydrophobicContact CG2-CD1 4.2Å
366	S	95.3	Very high	92.4	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-45.2	-177.7	57.9	0	0	0	0	111.5	W362 T363 E368 C369 L370	W362-S366 VanDerWaalsContact O-CB 3.28Å; W362-S366 WeakPolarHBondContact O-CB 3.21Å; W362-S366 PolarHBondContact O-N 3.41Å; W362-S366 PolarHBondContact O-OG 2.89Å; T363-S366 PolarHBondContact O-OG 3.29Å; S366-E368 PolarHBondContact O-N 3.24Å; S366-C369 PolarHBondContact O-N 3.42Å; S366-L370 WeakPolarHBondContact O-CB 3.38Å; S366-L370 WeakPolarHBondContact O-CG 3.31Å; S366-L370 PolarHBondContact O-N 2.87Å
367	R	94.9	Very high	93.3	Very high	135 Å²	135	36.8 Å²	36.8	51%	0.509	20%	0.202	S	C	.	.	H	α-helix	trans	-56.2	-48.5	176.2	-176.8	-174	-62.5	160.1	-2	112.1	T363 I365 L370 N371	T363-R367 WeakPolarHBondContact O-CB 3.31Å; T363-R367 PolarHBondContact O-N 3.19Å; T363-R367 VanDerWaalsContact O-N 3.14Å; I365-R367 PolarHBondContact O-N 2.72Å; R367-L370 PolarHBondContact O-N 3.5Å; R367-N371 WeakPolarHBondContact O-CB 3.44Å; R367-N371 PolarHBondContact O-N 3.2Å; R367-N371 PolarHBondContact O-ND2 3Å; R367-N371 PolarHBondContact O-OD1 3.32Å
368	E	94.6	Very high	93.7	Very high	20 Å²	20	41.2 Å²	41.2	9%	0.093	21%	0.212	C	C	.	.	H	α-helix	trans	-69.9	-36.2	-178.5	-177.9	55.4	-163.7	0	0	112.4	L319 K328 A364 I365 S366 N371 L372	L319-E368 HydrophobicContact CB-CG 4.18Å; K328-E368 WeakPolarHBondContact CE-OE1 3.31Å; K328-E368 IonicContact NZ-OE1 3.36Å; K328-E368 PolarHBondContact NZ-OE1 3.44Å; A364-E368 PolarHBondContact O-N 3.13Å; I365-E368 PolarHBondContact O-N 3.16Å; S366-E368 PolarHBondContact O-N 3.24Å; E368-N371 PolarHBondContact O-N 3.39Å; E368-N371 PolarHBondContact OE2-ND2 3.28Å; E368-L372 HydrophobicContact CG-CD1 4.5Å; E368-L372 WeakPolarHBondContact O-CG 3.29Å; E368-L372 PolarHBondContact O-N 2.96Å
369	C	96.1	Very high	94	Very high	1 Å²	1	39 Å²	39	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-45.6	172.4	-64.5	0	0	0	0	111.5	L335 I365 S366 L372 L373 A564 L568	L335-C369 VanDerWaalsContact CD2-SG 3.6Å; I365-C369 PolarHBondContact O-N 3.12Å; I365-C369 PolarHBondContact O-SG 2.93Å; S366-C369 PolarHBondContact O-N 3.42Å; C369-L372 PolarHBondContact O-N 3.22Å; C369-L373 VanDerWaalsContact O-CG 3.26Å; C369-L373 WeakPolarHBondContact O-CG 3.47Å; C369-L373 PolarHBondContact O-N 3.01Å; C369-A564 HydrophobicContact CB-CB 4.24Å; C369-L568 HydrophobicContact CB-CB 4.31Å; C369-L568 HydrophobicContact CB-CD2 4.15Å
370	L	95.7	Very high	94	Very high	23 Å²	23	37.5 Å²	37.5	12%	0.12	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-38.3	177.4	-66.7	169.3	0	0	0	112	S366 R367 L373 N374 L568 I591 T594	S366-L370 WeakPolarHBondContact O-CB 3.38Å; S366-L370 WeakPolarHBondContact O-CG 3.31Å; S366-L370 PolarHBondContact O-N 2.87Å; R367-L370 PolarHBondContact O-N 3.5Å; L370-L373 PolarHBondContact O-N 3.25Å; L370-N374 VanDerWaalsContact O-CB 3.29Å; L370-N374 WeakPolarHBondContact O-CB 3.36Å; L370-N374 VanDerWaalsContact O-CG 3.28Å; L370-N374 PolarHBondContact O-N 2.93Å; L370-N374 PolarHBondContact O-ND2 3Å; L370-L568 HydrophobicContact CD2-CD2 4Å; L370-L568 HydrophobicContact CG-CD2 4.33Å; L370-I591 HydrophobicContact CD1-CG1 4.16Å; L370-I591 HydrophobicContact CD2-CB 4.47Å; L370-I591 HydrophobicContact CD2-CG1 4.08Å; L370-T594 HydrophobicContact CD2-CG2 3.93Å; L370-T594 WeakPolarHBondContact CD2-OG1 3.4Å
371	N	95.1	Very high	94	Very high	84 Å²	84	34.9 Å²	34.9	45%	0.449	18%	0.183	S	C	.	.	H	α-helix	trans	-59.7	-47.4	173.1	-71.6	-17.9	0	0	0	111.5	R367 E368 L373 N374 G375	R367-N371 WeakPolarHBondContact O-CB 3.44Å; R367-N371 PolarHBondContact O-N 3.2Å; R367-N371 PolarHBondContact O-ND2 3Å; R367-N371 PolarHBondContact O-OD1 3.32Å; E368-N371 PolarHBondContact O-N 3.39Å; E368-N371 PolarHBondContact OE2-ND2 3.28Å; N371-L373 PolarHBondContact O-N 2.98Å; N371-N374 PolarHBondContact O-N 3.08Å; N371-G375 PolarHBondContact O-N 3.49Å
372	L	94.4	Very high	93.9	Very high	17 Å²	17	38.8 Å²	38.8	9%	0.089	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-44	177.1	-73.5	170.7	0	0	0	111.6	L332 E368 C369 G375 M376 H561 A564	L332-L372 HydrophobicContact CD1-CD1 3.86Å; L332-L372 HydrophobicContact CD2-CD1 4.09Å; E368-L372 HydrophobicContact CG-CD1 4.5Å; E368-L372 WeakPolarHBondContact O-CG 3.29Å; E368-L372 PolarHBondContact O-N 2.96Å; C369-L372 PolarHBondContact O-N 3.22Å; L372-G375 PolarHBondContact O-N 2.91Å; L372-M376 PolarHBondContact O-N 3.39Å; L372-M376 VanDerWaalsContact O-N 3.1Å; L372-H561 PolarHBondContact O-CE1 3.46Å; L372-H561 PolarHBondContact O-ND1 3.36Å; L372-H561 VanDerWaalsContact O-ND1 3.08Å; L372-A564 HydrophobicContact CD1-CB 4.13Å
373	L	95.8	Very high	93.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-68.4	-43.2	179.9	-65.3	170.6	0	0	0	111.9	C369 L370 N371 G375 M376 T377 L565 L568 L595 L598	C369-L373 VanDerWaalsContact O-CG 3.26Å; C369-L373 WeakPolarHBondContact O-CG 3.47Å; C369-L373 PolarHBondContact O-N 3.01Å; L370-L373 PolarHBondContact O-N 3.25Å; N371-L373 PolarHBondContact O-N 2.98Å; L373-G375 PolarHBondContact O-N 3.42Å; L373-M376 WeakPolarHBondContact O-CB 3.13Å; L373-M376 PolarHBondContact O-N 2.83Å; L373-T377 PolarHBondContact O-N 3.15Å; L373-T377 PolarHBondContact O-OG1 3.3Å; L373-T377 VanDerWaalsContact O-OG1 3.1Å; L373-L565 HydrophobicContact CD1-CD1 4.46Å; L373-L565 HydrophobicContact CD2-CB 4.07Å; L373-L565 HydrophobicContact CD2-CD1 4.49Å; L373-L568 HydrophobicContact CD1-CD2 4.35Å; L373-L595 HydrophobicContact CD1-CD2 3.92Å; L373-L598 HydrophobicContact CB-CD2 4.17Å; L373-L598 HydrophobicContact CD2-CD2 3.68Å; L373-L598 HydrophobicContact CG-CD2 4.43Å
374	N	95.8	Very high	93.1	Very high	59 Å²	59	41.8 Å²	41.8	32%	0.316	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-38.7	174.8	-74.8	-32.1	0	0	0	112.4	L370 N371 M376 T377 Q378 T594	L370-N374 VanDerWaalsContact O-CB 3.29Å; L370-N374 WeakPolarHBondContact O-CB 3.36Å; L370-N374 VanDerWaalsContact O-CG 3.28Å; L370-N374 PolarHBondContact O-N 2.93Å; L370-N374 PolarHBondContact O-ND2 3Å; N371-N374 PolarHBondContact O-N 3.08Å; N374-M376 VanDerWaalsContact C-N 3.31Å; N374-M376 PolarHBondContact O-N 3.35Å; N374-T377 WeakPolarHBondContact O-CB 3.3Å; N374-T377 PolarHBondContact O-N 3.01Å; N374-Q378 WeakPolarHBondContact O-CG 3.44Å; N374-Q378 PolarHBondContact O-N 2.98Å; N374-T594 WeakPolarHBondContact OD1-CG2 3.44Å
375	G	94.4	Very high	92.9	Very high	31 Å²	31	46 Å²	46	32%	0.32	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-39.9	172.7	0	0	0	0	0	112.3	N371 L372 L373 Q378 K379	N371-G375 PolarHBondContact O-N 3.49Å; L372-G375 PolarHBondContact O-N 2.91Å; L373-G375 PolarHBondContact O-N 3.42Å; G375-Q378 PolarHBondContact O-N 2.76Å; G375-K379 WeakPolarHBondContact O-CB 3.44Å; G375-K379 PolarHBondContact O-N 2.91Å
376	M	94.4	Very high	92.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-42.2	173.2	-171.5	57.9	178.6	0	0	112.2	L372 L373 N374 Q378 K379 L380 F555 L598 F634	L372-M376 PolarHBondContact O-N 3.39Å; L372-M376 VanDerWaalsContact O-N 3.1Å; L373-M376 WeakPolarHBondContact O-CB 3.13Å; L373-M376 PolarHBondContact O-N 2.83Å; N374-M376 VanDerWaalsContact C-N 3.31Å; N374-M376 PolarHBondContact O-N 3.35Å; M376-Q378 PolarHBondContact O-N 3.12Å; M376-K379 WeakPolarHBondContact O-CB 3.36Å; M376-K379 PolarHBondContact O-N 3.27Å; M376-K379 HydrophobicContact SD-CD 4.04Å; M376-L380 HydrophobicContact CE-CD1 4.22Å; M376-L380 HydrophobicContact CE-CD2 4.13Å; M376-L380 HydrophobicContact CE-CG 4.14Å; M376-L380 HydrophobicContact CG-CD1 4.29Å; M376-L380 WeakPolarHBondContact O-CG 3.34Å; M376-L380 PolarHBondContact O-N 2.96Å; M376-F555 HydrophobicContact CE-CD1 3.46Å; M376-F555 VanDerWaalsContact CE-CD1 3.46Å; M376-F555 HydrophobicContact CE-CE1 3.38Å; M376-F555 HydrophobicContact CE-CG 4.13Å; M376-F555 HydrophobicContact CE-CZ 3.99Å; M376-L598 HydrophobicContact CB-CD1 4.32Å; M376-L598 HydrophobicContact CG-CD1 4.21Å; M376-F634 HydrophobicContact CE-CE1 4.21Å; M376-F634 HydrophobicContact CG-CE1 4.08Å; M376-F634 HydrophobicContact CG-CZ 3.82Å
377	T	94.4	Very high	91.5	Very high	13 Å²	13	49.7 Å²	49.7	8%	0.08	26%	0.26	C	S	.	.	H	α-helix	trans	-56.6	-49.5	174	-55.5	0	0	0	0	111.1	L373 N374 K379 L380 V381 T597 L598 A601	L373-T377 PolarHBondContact O-N 3.15Å; L373-T377 PolarHBondContact O-OG1 3.3Å; L373-T377 VanDerWaalsContact O-OG1 3.1Å; N374-T377 WeakPolarHBondContact O-CB 3.3Å; N374-T377 PolarHBondContact O-N 3.01Å; T377-K379 PolarHBondContact O-N 2.84Å; T377-L380 PolarHBondContact O-N 3.31Å; T377-V381 WeakPolarHBondContact O-CG2 3.43Å; T377-V381 PolarHBondContact O-N 2.98Å; T377-T597 HydrophobicContact CG2-CG2 4.22Å; T377-L598 WeakPolarHBondContact OG1-CA 3.27Å; T377-L598 WeakPolarHBondContact OG1-CB 3.48Å; T377-L598 WeakPolarHBondContact OG1-CD1 3.44Å; T377-A601 HydrophobicContact CG2-CB 4.08Å
378	Q	93.8	Very high	90.6	Very high	131 Å²	131	46.5 Å²	46.5	61%	0.612	26%	0.262	S	S	*	.	H	α-helix	trans	-61.1	-44.1	177.4	-70.8	174.5	-4.1	0	0	111.9	N374 G375 M376 L380 V381 L382	N374-Q378 WeakPolarHBondContact O-CG 3.44Å; N374-Q378 PolarHBondContact O-N 2.98Å; G375-Q378 PolarHBondContact O-N 2.76Å; M376-Q378 PolarHBondContact O-N 3.12Å; Q378-L380 VanDerWaalsContact C-N 3.3Å; Q378-L380 PolarHBondContact O-N 3.11Å; Q378-V381 PolarHBondContact O-N 3.19Å; Q378-L382 WeakPolarHBondContact O-CB 3.07Å; Q378-L382 VanDerWaalsContact O-CG 3.31Å; Q378-L382 WeakPolarHBondContact O-CG 3.31Å; Q378-L382 PolarHBondContact O-N 2.92Å
379	K	92.1	Very high	89.4	Confident	63 Å²	63	49.6 Å²	49.6	27%	0.274	28%	0.283	S	S	.	.	H	α-helix	trans	-58.2	-40.1	176.4	-169.8	-175.2	-172.7	-174.2	0	112.3	G375 M376 T377 Y383 V554 D557	G375-K379 WeakPolarHBondContact O-CB 3.44Å; G375-K379 PolarHBondContact O-N 2.91Å; M376-K379 WeakPolarHBondContact O-CB 3.36Å; M376-K379 PolarHBondContact O-N 3.27Å; M376-K379 HydrophobicContact SD-CD 4.04Å; T377-K379 PolarHBondContact O-N 2.84Å; K379-Y383 WeakPolarHBondContact O-CB 3.24Å; K379-Y383 PolarHBondContact O-N 3.27Å; K379-V554 VanDerWaalsContact CE-O 3.24Å; K379-V554 WeakPolarHBondContact CE-O 3.32Å; K379-V554 HydrophobicContact CG-CG1 4.46Å; K379-V554 PolarHBondContact NZ-O 3.4Å; K379-D557 IonicContact NZ-OD1 2.87Å; K379-D557 PolarHBondContact NZ-OD1 3.38Å; K379-D557 IonicContact NZ-OD2 3.8Å; K379-D557 PolarHBondContact NZ-OD2 3.41Å
380	L	91.2	Very high	87.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-70.5	-45	176.9	-70.8	170.7	0	0	0	112.4	M376 T377 Q378 Y383 Q384 V554 F555 L598 A601 V602 Y605	M376-L380 HydrophobicContact CE-CD1 4.22Å; M376-L380 HydrophobicContact CE-CD2 4.13Å; M376-L380 HydrophobicContact CE-CG 4.14Å; M376-L380 HydrophobicContact CG-CD1 4.29Å; M376-L380 WeakPolarHBondContact O-CG 3.34Å; M376-L380 PolarHBondContact O-N 2.96Å; T377-L380 PolarHBondContact O-N 3.31Å; Q378-L380 VanDerWaalsContact C-N 3.3Å; Q378-L380 PolarHBondContact O-N 3.11Å; L380-Y383 PolarHBondContact O-N 2.85Å; L380-Q384 WeakPolarHBondContact O-CB 3.24Å; L380-Q384 PolarHBondContact O-N 2.88Å; L380-V554 HydrophobicContact CD2-CG1 3.84Å; L380-F555 HydrophobicContact CD2-CE1 4.38Å; L380-F555 HydrophobicContact CD2-CE2 3.89Å; L380-F555 HydrophobicContact CD2-CZ 3.56Å; L380-L598 HydrophobicContact CD1-CD1 4.25Å; L380-A601 HydrophobicContact CB-CB 4.03Å; L380-A601 HydrophobicContact CD1-CB 4.15Å; L380-V602 HydrophobicContact CD1-CG2 3.68Å; L380-Y605 HydrophobicContact CD2-CD2 3.75Å; L380-Y605 HydrophobicContact CD2-CE2 4.18Å; L380-Y605 HydrophobicContact CD2-CG 4.09Å
381	V	91.1	Very high	85.3	Confident	55 Å²	55	58.7 Å²	58.7	33%	0.333	35%	0.348	S	S	.	.	H	α-helix	trans	-61.4	-49.4	177.9	171.7	0	0	0	0	110.9	T377 Q378 Y383 Q384 E385 A601	T377-V381 WeakPolarHBondContact O-CG2 3.43Å; T377-V381 PolarHBondContact O-N 2.98Å; Q378-V381 PolarHBondContact O-N 3.19Å; V381-Y383 VanDerWaalsContact C-N 3.31Å; V381-Y383 PolarHBondContact O-N 3.23Å; V381-Q384 WeakPolarHBondContact O-CA 3.35Å; V381-Q384 WeakPolarHBondContact O-CB 3.49Å; V381-Q384 PolarHBondContact O-N 2.92Å; V381-E385 HydrophobicContact CG1-CG 4.44Å; V381-E385 WeakPolarHBondContact O-CG 3.37Å; V381-E385 PolarHBondContact O-N 3.49Å; V381-A601 HydrophobicContact CG2-CB 4.35Å
382	L	88.8	Confident	82.5	Confident	112 Å²	112	64.3 Å²	64.3	59%	0.586	36%	0.363	S	S	*	.	H	α-helix	trans	-59.9	-38.6	177.5	-70.8	171.6	0	0	0	112.6	Q378 Q384 A386	Q378-L382 WeakPolarHBondContact O-CB 3.07Å; Q378-L382 VanDerWaalsContact O-CG 3.31Å; Q378-L382 WeakPolarHBondContact O-CG 3.31Å; Q378-L382 PolarHBondContact O-N 2.92Å; L382-Q384 VanDerWaalsContact C-N 3.33Å; L382-A386 WeakPolarHBondContact O-CB 3.47Å; L382-A386 PolarHBondContact O-N 2.89Å
383	Y	85.9	Confident	79.5	Confident	50 Å²	50	70.7 Å²	70.7	20%	0.196	40%	0.402	C	S	.	.	H	α-helix	trans	-65.7	-38	174	-175.2	-86.6	0	0	0	111.8	K379 L380 V381 A386 A387 S550 V554 Y605 L608	K379-Y383 WeakPolarHBondContact O-CB 3.24Å; K379-Y383 PolarHBondContact O-N 3.27Å; L380-Y383 PolarHBondContact O-N 2.85Å; V381-Y383 VanDerWaalsContact C-N 3.31Å; V381-Y383 PolarHBondContact O-N 3.23Å; Y383-A386 PolarHBondContact O-N 3.48Å; Y383-A387 WeakPolarHBondContact O-CB 3.28Å; Y383-A387 PolarHBondContact O-N 2.87Å; Y383-S550 PolarHBondContact OH-OG 3.5Å; Y383-V554 HydrophobicContact CD2-CG2 3.35Å; Y383-V554 HydrophobicContact CE2-CG2 3.67Å; Y383-V554 HydrophobicContact CG-CG2 3.87Å; Y383-Y605 HydrophobicContact CD1-CD2 4.14Å; Y383-Y605 AromaticContact CD1-CE2 3.52Å; Y383-Y605 HydrophobicContact CD1-CE2 3.52Å; Y383-Y605 AromaticContact CE1-CE2 3.71Å; Y383-Y605 HydrophobicContact CE1-CE2 3.71Å; Y383-Y605 HydrophobicContact CG-CE2 4.3Å; Y383-L608 HydrophobicContact CE1-CD1 4.37Å
384	Q	85.5	Confident	76.3	Confident	58 Å²	58	75 Å²	75	27%	0.271	43%	0.432	S	S	.	.	H	α-helix	trans	-69.7	-40.2	178.9	-167.8	177.3	-2.3	0	0	112.1	L380 V381 L382 A387 A388	L380-Q384 WeakPolarHBondContact O-CB 3.24Å; L380-Q384 PolarHBondContact O-N 2.88Å; V381-Q384 WeakPolarHBondContact O-CA 3.35Å; V381-Q384 WeakPolarHBondContact O-CB 3.49Å; V381-Q384 PolarHBondContact O-N 2.92Å; L382-Q384 VanDerWaalsContact C-N 3.33Å; Q384-A387 PolarHBondContact O-N 3.38Å; Q384-A388 WeakPolarHBondContact O-CB 3.41Å; Q384-A388 PolarHBondContact O-N 2.74Å
385	E	86.6	Confident	73.3	Confident	107 Å²	107	77.3 Å²	77.3	50%	0.5	45%	0.453	S	S	.	.	H	α-helix	trans	-62.5	-43.8	171.7	-70.7	173.2	178.6	0	0	111.5	V381 A387 A388 T389	V381-E385 HydrophobicContact CG1-CG 4.44Å; V381-E385 WeakPolarHBondContact O-CG 3.37Å; V381-E385 PolarHBondContact O-N 3.49Å; E385-A387 VanDerWaalsContact C-N 3.31Å; E385-A387 PolarHBondContact O-N 3.46Å; E385-A388 PolarHBondContact O-N 3.31Å; E385-T389 WeakPolarHBondContact O-CB 3.45Å; E385-T389 WeakPolarHBondContact O-CG2 3.23Å; E385-T389 PolarHBondContact O-N 2.91Å; E385-T389 PolarHBondContact O-OG1 3.5Å
386	A	83.3	Confident	70.1	Confident	43 Å²	43	80.5 Å²	80.5	36%	0.355	47%	0.471	S	S	.	.	H	α-helix	trans	-61.9	-37.7	172.9	0	0	0	0	0	112	L382 Y383 T389 N390	L382-A386 WeakPolarHBondContact O-CB 3.47Å; L382-A386 PolarHBondContact O-N 2.89Å; Y383-A386 PolarHBondContact O-N 3.48Å; A386-T389 WeakPolarHBondContact CA-OG1 3.48Å; A386-T389 PolarHBondContact O-OG1 2.85Å; A386-N390 PolarHBondContact O-N 3.31Å; A386-N390 PolarHBondContact O-ND2 2.88Å
387	A	77.6	Confident	66.9	Low	41 Å²	41	90.3 Å²	90.3	34%	0.339	51%	0.509	S	S	.	.	H	α-helix	trans	-67.8	-40.7	175.6	0	0	0	0	0	112.1	Y383 Q384 E385	Y383-A387 WeakPolarHBondContact O-CB 3.28Å; Y383-A387 PolarHBondContact O-N 2.87Å; Q384-A387 PolarHBondContact O-N 3.38Å; E385-A387 VanDerWaalsContact C-N 3.31Å; E385-A387 PolarHBondContact O-N 3.46Å
388	A	76.4	Confident	64	Low	67 Å²	67	95.8 Å²	95.8	55%	0.554	55%	0.545	S	S	*	.	H	α-helix	trans	-68.6	-42.7	178.2	0	0	0	0	0	112.7	Q384 E385 G391 R392	Q384-A388 WeakPolarHBondContact O-CB 3.41Å; Q384-A388 PolarHBondContact O-N 2.74Å; E385-A388 PolarHBondContact O-N 3.31Å; A388-G391 PolarHBondContact O-N 3.39Å; A388-R392 PolarHBondContact O-N 3.42Å
389	T	68.2	Low	60.9	Low	86 Å²	86	96.2 Å²	96.2	53%	0.528	56%	0.556	S	S	.	*	H	α-helix	trans	-69.5	-30.1	179.5	48.7	0	0	0	0	113.3	E385 A386 G391 R392	E385-T389 WeakPolarHBondContact O-CB 3.45Å; E385-T389 WeakPolarHBondContact O-CG2 3.23Å; E385-T389 PolarHBondContact O-N 2.91Å; E385-T389 PolarHBondContact O-OG1 3.5Å; A386-T389 WeakPolarHBondContact CA-OG1 3.48Å; A386-T389 PolarHBondContact O-OG1 2.85Å; T389-G391 PolarHBondContact O-N 2.94Å; T389-R392 CarbonylContact O-C 3.57Å; T389-R392 VanDerWaalsContact O-C 3.23Å; T389-R392 PolarHBondContact O-N 3.4Å; T389-R392 VanDerWaalsContact O-O 3.1Å
390	N	57.2	Low	57.7	Low	144 Å²	144	101.6 Å²	101.6	77%	0.77	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-14.9	169.7	-81.2	-62.6	0	0	0	113.5	A386	A386-N390 PolarHBondContact O-N 3.31Å; A386-N390 PolarHBondContact O-ND2 2.88Å
391	G	49.3	Very low	54.8	Low	71 Å²	71	107.7 Å²	107.7	73%	0.732	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-8.3	169.4	0	0	0	0	0	114.7	A388 T389	A388-G391 PolarHBondContact O-N 3.39Å; T389-G391 PolarHBondContact O-N 2.94Å
392	R	36	Very low	51.6	Low	201 Å²	201	115 Å²	115	76%	0.758	65%	0.649	S	S	*	*			trans	-151.2	97.3	-176.2	-154.7	174	-165.2	163.6	3.2	110.6	A388 T389 S394	A388-R392 PolarHBondContact O-N 3.42Å; T389-R392 CarbonylContact O-C 3.57Å; T389-R392 VanDerWaalsContact O-C 3.23Å; T389-R392 PolarHBondContact O-N 3.4Å; T389-R392 VanDerWaalsContact O-O 3.1Å; R392-S394 PolarHBondContact O-N 2.97Å
393	V	32.5	Very low	48.6	Very low	151 Å²	151	119 Å²	119	92%	0.915	66%	0.662	S	S	*	*			trans	-62.6	105.2	168.1	178.3	0	0	0	0	108
394	S	26.7	Very low	45.6	Very low	92 Å²	92	124.7 Å²	124.7	64%	0.643	70%	0.695	S	S	*	*			trans	-114.8	110	170.5	-164.1	0	0	0	0	108.7	R392 S396	R392-S394 PolarHBondContact O-N 2.97Å; S394-S396 PolarHBondContact O-N 3.26Å
395	S	33	Very low	42.5	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	72%	0.717	S	S	*	*			trans	-75.4	113.6	164.2	-179.9	0	0	0	0	108.2
396	S	28.3	Very low	39.5	Very low	98 Å²	98	129 Å²	129	69%	0.685	73%	0.732	S	S	*	*			trans	-156.3	120.2	165.9	52.3	0	0	0	0	109.9	S394	S394-S396 PolarHBondContact O-N 3.26Å
397	Y	26.8	Very low	37.2	Very low	205 Å²	205	132.7 Å²	132.7	80%	0.804	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-64.7	153.7	175.4	-68.4	-95.8	0	0	0	111.3	V399	Y397-V399 PolarHBondContact O-N 3.49Å
398	P	32.9	Very low	34.6	Very low	128 Å²	128	139.6 Å²	139.6	83%	0.831	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-71.5	126.4	173.8	28.8	-31	0	0	0	110.3
399	V	29.1	Very low	32.2	Very low	140 Å²	140	145.7 Å²	145.7	85%	0.848	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-91.9	129.2	167.9	176.4	0	0	0	0	108.2	Y397	Y397-V399 PolarHBondContact O-N 3.49Å
400	E	25.7	Very low	30.1	Very low	177 Å²	177	147.4 Å²	147.4	83%	0.827	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-65.7	151.4	177.6	-82.1	-174.4	124.6	0	0	113.2	K402	E400-K402 PolarHBondContact O-N 3.34Å
401	P	29.1	Very low	28.5	Very low	127 Å²	127	146.9 Å²	146.9	83%	0.825	81%	0.807	S	S	*	*			trans	-77.6	112.2	177.8	31.5	-33.4	0	0	0	111.5
402	K	24.9	Very low	27.4	Very low	209 Å²	209	152.3 Å²	152.3	91%	0.909	81%	0.811	S	S	*	*			trans	-82.5	114.8	170.5	-124.7	179.2	-176.7	-179.2	0	110.6	E400	E400-K402 PolarHBondContact O-N 3.34Å
403	K	25.6	Very low	26.8	Very low	195 Å²	195	151.7 Å²	151.7	85%	0.848	82%	0.817	S	S	*	*			trans	-70.3	138.3	160.7	-80.3	-178.3	172.1	-179.3	0	109.9
404	L	22.6	Very low	26.4	Very low	171 Å²	171	150.9 Å²	150.9	90%	0.895	81%	0.812	S	S	*	*			trans	-152.6	147.6	147.3	-163.1	59.8	0	0	0	110.2
405	N	21.7	Very low	26.8	Very low	138 Å²	138	151.2 Å²	151.2	74%	0.738	81%	0.813	S	S	*	*			trans	-98	-179.2	-173.9	-64.7	-20.7	0	0	0	112.5
406	S	23.7	Very low	26.4	Very low	116 Å²	116	155.6 Å²	155.6	81%	0.811	82%	0.818	S	S	*	*			trans	90.3	160	157.6	80.4	0	0	0	0	117.4
407	P	33.1	Very low	26.1	Very low	121 Å²	121	156 Å²	156	79%	0.786	82%	0.821	S	S	*	*				-130.6	-171.1	-65.1	37.7	-22.6	0	0	0	112.3
408	E	24.5	Very low	25.9	Very low	187 Å²	187	151 Å²	151	87%	0.874	82%	0.816	S	S	*	*			trans	-64.8	144.1	174.1	-63.6	171.9	114.8	0	0	113
409	E	24.9	Very low	25.6	Very low	194 Å²	194	153.8 Å²	153.8	91%	0.907	82%	0.818	S	S	*	*				-163.8	155.2	122	-116.9	179.3	-172.7	0	0	113.1
410	T	24.6	Very low	25.4	Very low	123 Å²	123	155.5 Å²	155.5	76%	0.755	82%	0.819	S	S	*	*			trans	-82.9	155.3	-176.3	43.5	0	0	0	0	114.2
411	T	22.8	Very low	25.3	Very low	132 Å²	132	155.2 Å²	155.2	81%	0.81	82%	0.822	S	S	*	*				-174.9	149.2	120.5	-72.4	0	0	0	0	111.7
412	F	26.2	Very low	25.1	Very low	185 Å²	185	159.5 Å²	159.5	81%	0.811	82%	0.822	S	S	*	*			trans	-70.4	152.1	-178.9	-70.5	-108.6	0	0	0	114.7
413	Q	25.2	Very low	25.3	Very low	189 Å²	189	154.9 Å²	154.9	88%	0.883	81%	0.813	S	S	*	*				-170.5	141.4	124.4	-104.7	167.6	50.9	0	0	114.9
414	T	23	Very low	25.2	Very low	133 Å²	133	150.6 Å²	150.6	82%	0.816	81%	0.808	S	S	*	*			trans	-142.1	165	160.1	19.5	0	0	0	0	105.5
415	P	34.3	Very low	25.7	Very low	100 Å²	100	148.3 Å²	148.3	65%	0.649	80%	0.801	S	S	*	*			cis	-154	-172	36.2	45.4	-24.3	0	0	0	118.3
416	K	24.4	Very low	26.4	Very low	200 Å²	200	147.5 Å²	147.5	87%	0.87	80%	0.803	S	S	*	*			trans	68.3	158.7	155.7	-72.9	170.1	-175.1	177.7	0	117.8
417	S	22	Very low	27.3	Very low	106 Å²	106	147 Å²	147	74%	0.741	80%	0.797	S	S	*	*			cis	178.5	137.3	-20.7	164.1	0	0	0	0	109.8
418	S	24.4	Very low	26.9	Very low	101 Å²	101	149.6 Å²	149.6	71%	0.706	80%	0.803	S	S	*	*			trans	173.5	131.8	138.3	51.5	0	0	0	0	115.8
419	Q	26.8	Very low	27.1	Very low	186 Å²	186	146.2 Å²	146.2	87%	0.869	80%	0.795	S	S	*	*			trans	43	119.5	141.9	-63.1	165.6	-12	0	0	119.9
420	M	24.8	Very low	27.1	Very low	175 Å²	175	145.9 Å²	145.9	86%	0.862	79%	0.79	S	S	*	*			cis	81.6	109.1	44.9	-170.9	175.4	175.3	0	0	115.5
421	L	22.2	Very low	27.1	Very low	171 Å²	171	146.2 Å²	146.2	90%	0.895	79%	0.792	S	S	*	*			trans	-153.3	137.4	143.4	-147.7	76.8	0	0	0	112
422	R	24.7	Very low	27.2	Very low	218 Å²	218	144.7 Å²	144.7	82%	0.823	79%	0.788	S	S	*	*			trans	-141.2	132.7	170.5	-170.4	-165.6	-170	-179.7	5.6	108.1
423	P	30.5	Very low	27.2	Very low	111 Å²	111	142.8 Å²	142.8	72%	0.721	79%	0.785	S	S	*	*				-141	176	123.2	27.7	-8.6	0	0	0	111.2
424	S	23	Very low	27.2	Very low	106 Å²	106	142.8 Å²	142.8	74%	0.741	78%	0.782	S	S	*	*			cis	-163.1	175.3	-22.2	48.7	0	0	0	0	109.3
425	V	31.9	Very low	27.3	Very low	123 Å²	123	141.2 Å²	141.2	75%	0.745	78%	0.777	S	S	*	*			trans	-150.5	158.5	171.5	-123.6	0	0	0	0	107.2
426	P	36.4	Very low	26.9	Very low	120 Å²	120	141.2 Å²	141.2	78%	0.779	78%	0.779	S	S	*	*				-142.6	-121	64.4	36.4	-9.5	0	0	0	114.6
427	P	43.2	Very low	26.8	Very low	106 Å²	106	142 Å²	142	69%	0.688	78%	0.783	S	S	*	*			trans	-140.5	-172.4	-135.9	41.6	-17.9	0	0	0	117.6
428	L	25.4	Very low	27	Very low	176 Å²	176	144.5 Å²	144.5	92%	0.921	79%	0.787	S	S	*	*			trans	-145.5	155.8	150.6	-156.9	66.9	0	0	0	112.4
429	V	27.4	Very low	27	Very low	116 Å²	116	145.1 Å²	145.1	70%	0.703	79%	0.791	S	S	*	*			trans	-128.1	164.7	-161.9	176.6	0	0	0	0	110.8
430	K	25.4	Very low	26.9	Very low	186 Å²	186	142 Å²	142	81%	0.809	79%	0.785	S	S	*	*			trans	113.2	138.7	159.6	-64.5	-177	179.6	179.5	0	113.8
431	T	25.2	Very low	27.4	Very low	130 Å²	130	138.6 Å²	138.6	80%	0.798	78%	0.776	S	S	*	*			cis	-154.6	165.5	-5.3	3	0	0	0	0	110.9
432	S	25	Very low	27.4	Very low	101 Å²	101	137 Å²	137	71%	0.706	77%	0.768	S	S	*	*			trans	-70.5	172.9	167.1	51.1	0	0	0	0	113.1
433	L	26.1	Very low	27.4	Very low	145 Å²	145	132.9 Å²	132.9	76%	0.759	77%	0.767	S	S	*	*				-174.7	126.8	129.3	-85.7	178.5	0	0	0	109.4
434	F	26.1	Very low	27.2	Very low	188 Å²	188	134.1 Å²	134.1	83%	0.825	77%	0.772	S	S	*	*			trans	22.6	157.3	149	-59.7	-75.9	0	0	0	123.3
435	S	24.7	Very low	27.2	Very low	100 Å²	100	134 Å²	134	70%	0.699	77%	0.772	S	S	*	*			cis	-168.3	157.4	-11.8	172.6	0	0	0	0	110.4
436	S	25.7	Very low	27.5	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	78%	0.775	S	S	*	*			trans	-51.2	160.6	167.7	59.5	0	0	0	0	116.8
437	K	23	Very low	26.9	Very low	215 Å²	215	137 Å²	137	94%	0.935	78%	0.783	S	S	*	*				-141.2	147.2	122.8	-80.9	-156.1	176.8	-179.8	0	111.5
438	L	26.1	Very low	26.2	Very low	159 Å²	159	135.4 Å²	135.4	83%	0.832	79%	0.785	S	S	*	*			trans	-119.5	141.1	179.6	170	72.6	0	0	0	108.3
439	S	23	Very low	26.3	Very low	114 Å²	114	133 Å²	133	80%	0.797	78%	0.778	S	S	*	*			trans	-159.3	124.7	159.6	55.1	0	0	0	0	112.6
440	T	24.2	Very low	26.8	Very low	121 Å²	121	133.4 Å²	133.4	74%	0.742	78%	0.783	S	S	*	*			trans	-114.2	170	157	53.4	0	0	0	0	107.1
441	P	35.9	Very low	26.8	Very low	103 Å²	103	134.2 Å²	134.2	67%	0.669	79%	0.787	S	S	*	*			cis	-135.7	-159.2	7	32.2	-6.9	0	0	0	114
442	D	22.6	Very low	26.9	Very low	138 Å²	138	131.8 Å²	131.8	74%	0.738	79%	0.788	S	S	*	*			trans	106.6	107.4	146.4	-65.1	-20.8	0	0	0	123.3
443	V	25.1	Very low	27	Very low	131 Å²	131	132.5 Å²	132.5	79%	0.794	79%	0.793	S	S	*	*			trans	63.8	145.7	131.6	-163	0	0	0	0	121.5
444	V	26.1	Very low	27	Very low	137 Å²	137	131.5 Å²	131.5	83%	0.83	80%	0.798	S	S	*	*			trans	103.4	117.2	165.4	-170.7	0	0	0	0	116.7
445	S	23.4	Very low	27	Very low	105 Å²	105	128.2 Å²	128.2	73%	0.734	79%	0.793	S	S	*	*			trans	-97.3	-176.6	168.1	-38.5	0	0	0	0	110.1
446	P	37.1	Very low	27.1	Very low	124 Å²	124	130.4 Å²	130.4	81%	0.805	79%	0.794	S	S	*	*			cis	-124.9	-154.9	-41.9	35.5	-16.7	0	0	0	110.4
447	L	24.8	Very low	27.2	Very low	182 Å²	182	131.5 Å²	131.5	95%	0.953	79%	0.792	S	S	*	*			trans	109.6	133.8	158.3	-159.4	72.8	0	0	0	115.5
448	G	27	Very low	27.4	Very low	71 Å²	71	132.4 Å²	132.4	73%	0.732	79%	0.789	S	S	*	*			trans	139.2	87.5	171.6	0	0	0	0	0	114.4
449	T	28.4	Very low	27.4	Very low	127 Å²	127	133.1 Å²	133.1	78%	0.779	79%	0.79	S	S	*	*			trans	-72.9	165.8	153.5	50.8	0	0	0	0	109.1
450	P	37	Very low	27.5	Very low	124 Å²	124	131.7 Å²	131.7	81%	0.805	79%	0.785	S	S	*	*				-142.1	163.1	95.7	34.5	-18.8	0	0	0	115.3
451	F	25.9	Very low	27.5	Very low	203 Å²	203	129 Å²	129	89%	0.89	78%	0.783	S	S	*	*			trans	-68.1	159.2	164.8	-77.8	-108.3	0	0	0	111.4
452	G	26.9	Very low	27	Very low	79 Å²	79	131 Å²	131	81%	0.814	79%	0.786	S	S	*	*			trans	-168.3	80.7	171.4	0	0	0	0	0	111.7
453	S	26.9	Very low	27.2	Very low	115 Å²	115	133.3 Å²	133.3	80%	0.804	79%	0.79	S	S	*	*			trans	-73.9	145.9	174.7	48.2	0	0	0	0	111.7
454	S	26.9	Very low	27.2	Very low	124 Å²	124	133.5 Å²	133.5	87%	0.867	79%	0.786	S	S	*	*			trans	-134.4	138.8	152.4	65.3	0	0	0	0	109.9
455	V	26.3	Very low	27.2	Very low	119 Å²	119	131.7 Å²	131.7	72%	0.721	78%	0.775	S	S	*	*			trans	-118.7	124.2	-165.2	161.7	0	0	0	0	108.5
456	M	26.9	Very low	27.3	Very low	146 Å²	146	133.6 Å²	133.6	72%	0.719	78%	0.777	S	S	*	*			trans	47.4	125.4	140.2	-153	169.2	79.3	0	0	119.1
457	N	27	Very low	26.8	Very low	124 Å²	124	132.9 Å²	132.9	66%	0.663	77%	0.771	S	S	*	*				174.7	154.4	107.4	-100.7	-60.5	0	0	0	116.8
458	R	27.8	Very low	26.8	Very low	235 Å²	235	130.4 Å²	130.4	89%	0.887	77%	0.767	S	S	*	*			trans	66.5	156.7	157.1	-71.6	178.2	-176.9	-174.9	1.9	119.2
459	M	26	Very low	26.8	Very low	173 Å²	173	138 Å²	138	85%	0.852	78%	0.775	S	S	*	*			cis	-166.3	163.1	-29	-175.5	52.2	-177.3	0	0	108.5
460	A	25.5	Very low	26.6	Very low	84 Å²	84	135.8 Å²	135.8	69%	0.694	78%	0.778	S	S	*	*			trans	-69.4	168.2	-176.9	0	0	0	0	0	117.4
461	G	24.5	Very low	26.1	Very low	66 Å²	66	135.4 Å²	135.4	68%	0.68	78%	0.778	S	S	*	*			trans	143.4	103.6	164.8	0	0	0	0	0	111.5
462	I	25.2	Very low	26.9	Very low	144 Å²	144	130 Å²	130	74%	0.738	76%	0.764	S	S	*	*			cis	105.6	138.5	47.2	-77.1	170.4	0	0	0	111.2
463	F	25.9	Very low	27	Very low	187 Å²	187	135 Å²	135	82%	0.82	77%	0.766	S	S	*	*			trans	73.8	145.3	171.5	-70	-43.2	0	0	0	119.4
464	D	25.7	Very low	27.1	Very low	134 Å²	134	134.5 Å²	134.5	72%	0.717	76%	0.762	S	S	*	*			cis	-169.4	178.9	-24.9	-148.8	-8.6	0	0	0	112.8
465	V	26.5	Very low	28.1	Very low	99 Å²	99	133.8 Å²	133.8	60%	0.6	76%	0.755	S	S	*	*			trans	77	109.1	150.9	174	0	0	0	0	121.3
466	N	25.5	Very low	28.2	Very low	145 Å²	145	136.3 Å²	136.3	78%	0.775	76%	0.759	S	S	*	*				178.4	107.6	114.6	-98.9	-38.3	0	0	0	110
467	T	26.3	Very low	28.4	Very low	110 Å²	110	135.3 Å²	135.3	68%	0.675	76%	0.756	S	S	*	*				71.8	101.4	75.5	-49.1	0	0	0	0	115.4
468	C	24.7	Very low	28.4	Very low	130 Å²	130	136 Å²	136	88%	0.878	76%	0.758	S	S	*	*				-165	160.3	125	-152.2	0	0	0	0	112
469	Y	26.7	Very low	28.5	Very low	229 Å²	229	134.7 Å²	134.7	90%	0.898	75%	0.753	S	S	*	*			trans	-96.1	162.1	-161.3	-83.7	-107.8	0	0	0	115.8
470	G	25.2	Very low	28.7	Very low	81 Å²	81	136.4 Å²	136.4	84%	0.835	75%	0.75	S	S	*	*			trans	171.3	80.9	165.2	0	0	0	0	0	115.9
471	S	25.2	Very low	29.2	Very low	116 Å²	116	135.4 Å²	135.4	81%	0.811	75%	0.748	S	S	*	*			trans	-103.9	178.6	168.6	-147.8	0	0	0	0	108.9
472	P	43.8	Very low	30.1	Very low	90 Å²	90	137.6 Å²	137.6	58%	0.584	75%	0.75	S	S	*	*			cis	-144.3	-168.9	3.6	45	-25.6	0	0	0	116.7
473	Q	27.8	Very low	30.3	Very low	183 Å²	183	141.3 Å²	141.3	86%	0.855	76%	0.755	S	S	*	*			trans	69.5	148.1	150.7	-76.1	162.9	9.2	0	0	119.8
474	S	30.2	Very low	30.5	Very low	105 Å²	105	137.6 Å²	137.6	73%	0.734	74%	0.743	S	S	*	*			cis	-158.7	170.9	-21.6	88	0	0	0	0	109.8
475	P	46.8	Very low	30.8	Very low	110 Å²	110	140.9 Å²	140.9	71%	0.714	75%	0.745	S	S	*	*			trans	-93.9	-178.9	-171.1	39.8	-36.4	0	0	0	113.6
476	Q	29.7	Very low	30.8	Very low	172 Å²	172	142 Å²	142	80%	0.804	75%	0.752	S	S	*	*			trans	165.4	156	145.4	-78.3	-113.3	10.3	0	0	108.6
477	L	29.9	Very low	30.9	Very low	125 Å²	125	140.5 Å²	140.5	65%	0.654	75%	0.753	S	S	*	*			cis	-179.2	123.9	-30.3	-145.6	103.9	0	0	0	106.7
478	I	28.1	Very low	30.9	Very low	138 Å²	138	139.2 Å²	139.2	71%	0.708	75%	0.754	S	S	*	*			trans	64.5	147.8	141.2	-71.5	-178.3	0	0	0	123.1
479	R	29.2	Very low	31.1	Very low	207 Å²	207	138.4 Å²	138.4	78%	0.781	75%	0.75	S	S	*	*			trans	73.4	148.6	166.1	-82.9	173.1	175.6	174.8	-0.2	116.4
480	R	30.8	Very low	31.1	Very low	210 Å²	210	134.7 Å²	134.7	79%	0.792	75%	0.745	S	S	*	*			cis	-152.7	139.5	11.5	-132	167.4	-171	167.3	-1	109.8
481	G	35.6	Very low	31.3	Very low	63 Å²	63	139.4 Å²	139.4	65%	0.649	75%	0.745	S	S	*	*			trans	-78.4	-179.1	148	0	0	0	0	0	110.1
482	P	43.6	Very low	31.2	Very low	111 Å²	111	142.2 Å²	142.2	72%	0.721	75%	0.746	S	S	*	*			cis	-150.4	174.3	43.3	43.1	-23.7	0	0	0	117.5
483	R	30.3	Very low	30.3	Very low	222 Å²	222	145.1 Å²	145.1	84%	0.838	75%	0.754	S	S	*	*			trans	46.8	156.4	133.1	-66.1	173.2	179.8	-157.9	0.6	121.1
484	L	28.6	Very low	30.1	Very low	109 Å²	109	141.3 Å²	141.3	57%	0.571	74%	0.743	S	S	*	*			cis	-174.9	173	-12.7	-106.4	166.5	0	0	0	107.6
485	W	32.7	Very low	29.8	Very low	204 Å²	204	143.8 Å²	143.8	77%	0.773	74%	0.743	S	S	*	*			trans	72.2	111.5	160.4	-56.4	125.3	0	0	0	116.7
486	T	27.1	Very low	28.7	Very low	121 Å²	121	147 Å²	147	74%	0.742	75%	0.746	S	S	*	*				61.3	142.8	91.8	60.3	0	0	0	0	114.6
487	S	26.4	Very low	28.5	Very low	115 Å²	115	144.4 Å²	144.4	80%	0.804	75%	0.747	S	S	*	*			cis	-154	176.3	29.6	55.9	0	0	0	0	115
488	A	26.9	Very low	28.2	Very low	82 Å²	82	146.2 Å²	146.2	68%	0.678	76%	0.757	S	S	*	*			trans	-31.4	155.6	168.9	0	0	0	0	0	119.5
489	S	28.1	Very low	28.5	Very low	114 Å²	114	145.4 Å²	145.4	80%	0.797	76%	0.761	S	S	*	*				-176	116.4	100.1	-84.9	0	0	0	0	113.9
490	D	26.6	Very low	28.2	Very low	150 Å²	150	140.5 Å²	140.5	80%	0.802	76%	0.758	S	S	*	*			trans	32	153.7	132.2	-79.1	-27.8	0	0	0	126
491	Q	29.8	Very low	28.4	Very low	180 Å²	180	136.2 Å²	136.2	84%	0.841	76%	0.757	S	S	*	*			trans	102.3	118.9	148.5	-83.7	165.4	20.3	0	0	121.4
492	Q	24.2	Very low	27.9	Very low	175 Å²	175	139 Å²	139	82%	0.818	77%	0.767	S	S	*	*			trans	-51.2	169	157.9	-62.2	161	-59.7	0	0	110.5
493	M	23.1	Very low	27	Very low	152 Å²	152	140.2 Å²	140.2	75%	0.749	77%	0.773	S	S	*	*			cis	-175.1	158.4	48.6	-152.7	163.8	154.9	0	0	109.8
494	T	24.2	Very low	26.7	Very low	103 Å²	103	135.4 Å²	135.4	63%	0.632	77%	0.773	S	S	*	*			trans	37.7	146.2	144.8	53.6	0	0	0	0	121.1
495	E	23.2	Very low	26.5	Very low	156 Å²	156	137.5 Å²	137.5	73%	0.729	78%	0.783	S	S	*	*			cis	-164.2	-178.7	9.2	-124.6	175.8	143.5	0	0	111.3
496	F	24.9	Very low	26.1	Very low	178 Å²	178	133.2 Å²	133.2	78%	0.781	78%	0.784	S	S	*	*			trans	-24.9	136.8	171.9	-64.8	-86.5	0	0	0	118.9
497	S	25	Very low	26.1	Very low	117 Å²	117	132 Å²	132	82%	0.818	79%	0.787	S	S	*	*				-176.2	134.6	113.2	-79.8	0	0	0	0	112.6
498	N	24.9	Very low	26.2	Very low	164 Å²	164	134.1 Å²	134.1	88%	0.877	78%	0.784	S	S	*	*			trans	-119.4	141.4	159.3	-91.3	-29.3	0	0	0	106.4
499	P	33.7	Very low	26.2	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	78%	0.782	S	S	*	*				-143.1	163.4	95.7	32.1	-13.7	0	0	0	116.7
500	S	22.6	Very low	26.4	Very low	103 Å²	103	136.1 Å²	136.1	72%	0.72	78%	0.781	S	S	*	*			trans	-52.3	-175.9	167.8	57	0	0	0	0	116.8
501	P	35.6	Very low	26.4	Very low	120 Å²	120	135.2 Å²	135.2	78%	0.779	78%	0.781	S	S	*	*			cis	-131.5	170.8	-24	25.8	-5.3	0	0	0	113.6
502	S	24.8	Very low	26.5	Very low	123 Å²	123	133.4 Å²	133.4	86%	0.86	78%	0.782	S	S	*	*			trans	-156.2	144.9	147.1	52.3	0	0	0	0	113.9
503	T	23.7	Very low	27	Very low	135 Å²	135	136.5 Å²	136.5	83%	0.828	79%	0.786	S	S	*	*			trans	-87.1	138.2	-175.3	-48.1	0	0	0	0	111.5
504	S	24.5	Very low	28	Very low	122 Å²	122	137.3 Å²	137.3	85%	0.853	79%	0.788	S	S	*	*			trans	-148.6	160.3	154	66.2	0	0	0	0	111.6
505	I	24.9	Very low	28.9	Very low	153 Å²	153	137.2 Å²	137.2	79%	0.785	79%	0.79	S	S	*	*			trans	-112	140.8	-152.8	-71.4	163.8	0	0	0	111.5
506	S	24.8	Very low	31	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	78%	0.778	S	S	*	*			trans	53	121.9	155.4	-165.6	0	0	0	0	120.2
507	A	26.2	Very low	33.3	Very low	97 Å²	97	130.3 Å²	130.3	80%	0.802	78%	0.775	S	S	*	*				-159.1	130.2	123.5	0	0	0	0	0	110.6	G509	A507-G509 PolarHBondContact O-N 3.45Å
508	E	29.4	Very low	35.6	Very low	159 Å²	159	130.4 Å²	130.4	74%	0.743	77%	0.765	S	S	*	*			trans	-77.2	117.5	177.2	-170.9	179.6	167.5	0	0	110.8	K510	E508-K510 IonicContact OE1-NZ 2.67Å; E508-K510 PolarHBondContact OE1-NZ 2.91Å
509	G	26.7	Very low	37.8	Very low	62 Å²	62	129.1 Å²	129.1	64%	0.639	75%	0.749	S	S	*	*			trans	-129.1	80.7	178.7	0	0	0	0	0	111.9	A507 T511	A507-G509 PolarHBondContact O-N 3.45Å; G509-T511 VanDerWaalsContact C-N 3.32Å; G509-T511 PolarHBondContact O-N 3.4Å
510	K	31.3	Very low	39.5	Very low	176 Å²	176	126 Å²	126	77%	0.765	73%	0.731	S	S	*	*			trans	-64	88.2	174.2	-77.8	-177.3	174.1	102.3	0	110.8	E508	E508-K510 IonicContact OE1-NZ 2.67Å; E508-K510 PolarHBondContact OE1-NZ 2.91Å
511	T	26.5	Very low	42.2	Very low	130 Å²	130	128.6 Å²	128.6	80%	0.798	73%	0.725	S	S	*	*			trans	-94.7	110.7	163.2	43.8	0	0	0	0	109.1	G509 R513	G509-T511 VanDerWaalsContact C-N 3.32Å; G509-T511 PolarHBondContact O-N 3.4Å; T511-R513 VanDerWaalsContact C-N 3.33Å; T511-R513 PolarHBondContact O-N 3.17Å
512	T	31.3	Very low	44.3	Very low	142 Å²	142	127.2 Å²	127.2	87%	0.871	71%	0.71	S	S	*	*			trans	-63	94.6	171.4	-5.7	0	0	0	0	108.4	Q514	T512-Q514 PolarHBondContact O-N 2.89Å
513	R	34.6	Very low	46.5	Very low	240 Å²	240	124.1 Å²	124.1	91%	0.906	68%	0.681	S	S	*	*			trans	-65.5	99.7	-175.6	-158.8	178.6	-163.8	-178.3	6	109	T511	T511-R513 VanDerWaalsContact C-N 3.33Å; T511-R513 PolarHBondContact O-N 3.17Å
514	Q	44.2	Very low	49.1	Very low	170 Å²	170	123 Å²	123	79%	0.794	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-53.4	140.6	175.3	-76	-161.1	1.4	0	0	109.9	T512 S516	T512-Q514 PolarHBondContact O-N 2.89Å; Q514-S516 PolarHBondContact O-N 2.89Å
515	P	44.4	Very low	51.5	Low	101 Å²	101	121.5 Å²	121.5	66%	0.656	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-59.2	127.5	175.4	26	-33.5	0	0	0	108.6	V517	P515-V517 PolarHBondContact O-N 2.88Å
516	S	66.1	Low	53.7	Low	69 Å²	69	122 Å²	122	48%	0.483	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-58.2	141.5	-169.8	62.1	0	0	0	0	111.6	Q514 I518 Y519 S520	Q514-S516 PolarHBondContact O-N 2.89Å; S516-I518 PolarHBondContact O-N 2.75Å; S516-Y519 WeakPolarHBondContact O-CA 3.41Å; S516-Y519 WeakPolarHBondContact O-CB 3.41Å; S516-Y519 PolarHBondContact O-N 2.76Å; S516-Y519 PolarHBondContact OG-N 3.25Å; S516-S520 PolarHBondContact O-N 2.86Å
517	V	73.3	Confident	56	Low	119 Å²	119	120 Å²	120	72%	0.721	62%	0.619	S	S	*	*	H	α-helix	trans	-54.4	-28.7	178.6	-178.5	0	0	0	0	111.6	P515 S520 W521	P515-V517 PolarHBondContact O-N 2.88Å; V517-S520 PolarHBondContact O-OG 3.43Å; V517-S520 VanDerWaalsContact O-OG 3.12Å; V517-W521 WeakPolarHBondContact O-CB 3.31Å; V517-W521 PolarHBondContact O-N 3.26Å
518	I	73.7	Confident	58.3	Low	120 Å²	120	120.7 Å²	120.7	62%	0.615	61%	0.605	S	S	*	*	H	α-helix	trans	-66.2	-43.6	174	-59.9	167.8	0	0	0	111.3	S516 W521 I522	S516-I518 PolarHBondContact O-N 2.75Å; I518-W521 PolarHBondContact O-N 3.44Å; I518-I522 HydrophobicContact CG2-CD1 3.81Å; I518-I522 HydrophobicContact CG2-CG1 4.44Å; I518-I522 WeakPolarHBondContact O-CB 3.36Å; I518-I522 WeakPolarHBondContact O-CG1 3.44Å; I518-I522 PolarHBondContact O-N 3Å
519	Y	70.8	Confident	60.3	Low	136 Å²	136	117.1 Å²	117.1	53%	0.533	59%	0.594	S	S	.	*	H	α-helix	trans	-64.9	-45.7	177.9	-175.4	-92.1	0	0	0	111.5	S516 I522 Q523	S516-Y519 WeakPolarHBondContact O-CA 3.41Å; S516-Y519 WeakPolarHBondContact O-CB 3.41Å; S516-Y519 PolarHBondContact O-N 2.76Å; S516-Y519 PolarHBondContact OG-N 3.25Å; Y519-I522 PolarHBondContact O-N 3.32Å; Y519-Q523 HydrophobicContact CD1-CG 4.2Å; Y519-Q523 HydrophobicContact CE1-CG 3.88Å; Y519-Q523 VanDerWaalsContact O-CG 3.31Å; Y519-Q523 WeakPolarHBondContact O-CG 3.33Å; Y519-Q523 PolarHBondContact O-N 2.84Å; Y519-Q523 PolarHBondContact OH-NE2 2.95Å
520	S	70.6	Confident	62.3	Low	57 Å²	57	119.6 Å²	119.6	40%	0.399	59%	0.587	S	S	.	*	H	α-helix	trans	-67.8	-35.3	177.1	59.7	0	0	0	0	112.5	S516 V517 Q523 N524	S516-S520 PolarHBondContact O-N 2.86Å; V517-S520 PolarHBondContact O-OG 3.43Å; V517-S520 VanDerWaalsContact O-OG 3.12Å; S520-Q523 PolarHBondContact O-N 3.48Å; S520-N524 WeakPolarHBondContact O-CB 2.87Å; S520-N524 PolarHBondContact O-N 3.48Å
521	W	78.8	Confident	64.1	Low	157 Å²	157	115.4 Å²	115.4	60%	0.595	57%	0.573	S	S	*	*	H	α-helix	trans	-65.6	-43.4	172.8	-176.4	92.1	0	0	0	112.5	V517 I518 N524 K525	V517-W521 WeakPolarHBondContact O-CB 3.31Å; V517-W521 PolarHBondContact O-N 3.26Å; I518-W521 PolarHBondContact O-N 3.44Å; W521-N524 PolarHBondContact O-N 3.47Å; W521-K525 HydrophobicContact CD2-CG 4.09Å; W521-K525 HydrophobicContact CE3-CG 4.28Å; W521-K525 HydrophobicContact CH2-CG 4.19Å; W521-K525 HydrophobicContact CZ2-CD 4.42Å; W521-K525 HydrophobicContact CZ2-CG 3.98Å; W521-K525 HydrophobicContact CZ3-CG 4.33Å; W521-K525 WeakPolarHBondContact O-CB 3.4Å; W521-K525 WeakPolarHBondContact O-CG 3.11Å; W521-K525 PolarHBondContact O-N 3.23Å
522	I	79.1	Confident	66.3	Low	91 Å²	91	115.1 Å²	115.1	47%	0.467	56%	0.561	S	S	.	*	H	α-helix	trans	-61.8	-44.1	175	-71.6	169	0	0	0	110.5	I518 Y519 K525 R526	I518-I522 HydrophobicContact CG2-CD1 3.81Å; I518-I522 HydrophobicContact CG2-CG1 4.44Å; I518-I522 WeakPolarHBondContact O-CB 3.36Å; I518-I522 WeakPolarHBondContact O-CG1 3.44Å; I518-I522 PolarHBondContact O-N 3Å; Y519-I522 PolarHBondContact O-N 3.32Å; I522-K525 PolarHBondContact O-N 2.76Å; I522-R526 VanDerWaalsContact O-CB 3.32Å; I522-R526 WeakPolarHBondContact O-CB 3.27Å; I522-R526 PolarHBondContact O-N 3.21Å
523	Q	71.7	Confident	67.8	Low	57 Å²	57	111 Å²	111	27%	0.266	53%	0.533	S	S	.	.	H	α-helix	trans	-65.2	-42.6	176.6	-65.9	-71.4	16.3	0	0	111.8	Y519 S520 K525 R526 E527	Y519-Q523 HydrophobicContact CD1-CG 4.2Å; Y519-Q523 HydrophobicContact CE1-CG 3.88Å; Y519-Q523 VanDerWaalsContact O-CG 3.31Å; Y519-Q523 WeakPolarHBondContact O-CG 3.33Å; Y519-Q523 PolarHBondContact O-N 2.84Å; Y519-Q523 PolarHBondContact OH-NE2 2.95Å; S520-Q523 PolarHBondContact O-N 3.48Å; Q523-K525 VanDerWaalsContact C-N 3.34Å; Q523-K525 PolarHBondContact O-N 2.95Å; Q523-R526 WeakPolarHBondContact O-CB 3.45Å; Q523-R526 PolarHBondContact O-N 2.94Å; Q523-E527 PolarHBondContact O-N 3.29Å
524	N	77.3	Confident	69.1	Low	111 Å²	111	101.9 Å²	101.9	59%	0.594	51%	0.507	S	S	*	.	H	α-helix	trans	-62.1	-39.4	174.3	-86.6	-16.1	0	0	0	112.3	S520 W521 E527 Q528	S520-N524 WeakPolarHBondContact O-CB 2.87Å; S520-N524 PolarHBondContact O-N 3.48Å; W521-N524 PolarHBondContact O-N 3.47Å; N524-E527 PolarHBondContact O-N 3.3Å; N524-Q528 WeakPolarHBondContact O-CB 3.37Å; N524-Q528 WeakPolarHBondContact O-CG 3.29Å; N524-Q528 PolarHBondContact O-N 3.15Å
525	K	76.1	Confident	70.3	Confident	91 Å²	91	102.3 Å²	102.3	40%	0.396	51%	0.506	S	S	.	.	H	α-helix	trans	-67.8	-38.9	174.4	-77.7	-71.7	169.6	-160.6	0	112.2	W521 I522 Q523 Q528 V529	W521-K525 HydrophobicContact CD2-CG 4.09Å; W521-K525 HydrophobicContact CE3-CG 4.28Å; W521-K525 HydrophobicContact CH2-CG 4.19Å; W521-K525 HydrophobicContact CZ2-CD 4.42Å; W521-K525 HydrophobicContact CZ2-CG 3.98Å; W521-K525 HydrophobicContact CZ3-CG 4.33Å; W521-K525 WeakPolarHBondContact O-CB 3.4Å; W521-K525 WeakPolarHBondContact O-CG 3.11Å; W521-K525 PolarHBondContact O-N 3.23Å; I522-K525 PolarHBondContact O-N 2.76Å; Q523-K525 VanDerWaalsContact C-N 3.34Å; Q523-K525 PolarHBondContact O-N 2.95Å; K525-Q528 PolarHBondContact O-N 3.42Å; K525-V529 WeakPolarHBondContact O-CB 3.37Å; K525-V529 WeakPolarHBondContact O-CG2 3.42Å; K525-V529 PolarHBondContact O-N 3.29Å
526	R	70.4	Confident	71.8	Confident	165 Å²	165	104.2 Å²	104.2	62%	0.623	50%	0.5	S	S	*	.	H	α-helix	trans	-61.4	-44.6	174.1	-171.5	-176.2	-172.7	-170.1	3.6	111.8	I522 Q523 V529 K530	I522-R526 VanDerWaalsContact O-CB 3.32Å; I522-R526 WeakPolarHBondContact O-CB 3.27Å; I522-R526 PolarHBondContact O-N 3.21Å; Q523-R526 WeakPolarHBondContact O-CB 3.45Å; Q523-R526 PolarHBondContact O-N 2.94Å; R526-V529 PolarHBondContact O-N 2.83Å; R526-K530 VanDerWaalsContact O-CB 3.3Å; R526-K530 WeakPolarHBondContact O-CB 3.4Å; R526-K530 PolarHBondContact O-N 3.02Å
527	E	74.1	Confident	71.9	Confident	71 Å²	71	107 Å²	107	33%	0.332	51%	0.513	S	S	.	.	H	α-helix	trans	-70.9	-35	176	-71.6	-61.9	143.1	0	0	112.5	Q523 N524 K530 N531	Q523-E527 PolarHBondContact O-N 3.29Å; N524-E527 PolarHBondContact O-N 3.3Å; E527-K530 PolarHBondContact O-N 3.37Å; E527-K530 IonicContact OE1-NZ 3.85Å; E527-K530 PolarHBondContact OE1-NZ 3.25Å; E527-K530 WeakPolarHBondContact OE2-CD 3.22Å; E527-K530 IonicContact OE2-NZ 2.79Å; E527-K530 PolarHBondContact OE2-NZ 2.98Å; E527-N531 VanDerWaalsContact O-CB 3.27Å; E527-N531 WeakPolarHBondContact O-CB 3.37Å; E527-N531 VanDerWaalsContact O-CG 3.29Å; E527-N531 PolarHBondContact O-N 3.04Å; E527-N531 PolarHBondContact O-ND2 2.88Å
528	Q	73	Confident	71.7	Confident	111 Å²	111	107.9 Å²	107.9	52%	0.519	51%	0.513	S	S	.	.	H	α-helix	trans	-60.3	-46.2	169.5	-79.7	-179	-4.6	0	0	111.9	N524 K525 N531 F532	N524-Q528 WeakPolarHBondContact O-CB 3.37Å; N524-Q528 WeakPolarHBondContact O-CG 3.29Å; N524-Q528 PolarHBondContact O-N 3.15Å; K525-Q528 PolarHBondContact O-N 3.42Å; Q528-N531 PolarHBondContact O-N 3.47Å; Q528-F532 WeakPolarHBondContact O-CB 3.37Å; Q528-F532 PolarHBondContact O-N 2.96Å
529	V	72	Confident	71.5	Confident	84 Å²	84	104.3 Å²	104.3	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-46	176.8	168.1	0	0	0	0	110.7	K525 R526 N531 F532 L533	K525-V529 WeakPolarHBondContact O-CB 3.37Å; K525-V529 WeakPolarHBondContact O-CG2 3.42Å; K525-V529 PolarHBondContact O-N 3.29Å; R526-V529 PolarHBondContact O-N 2.83Å; V529-N531 VanDerWaalsContact C-N 3.34Å; V529-N531 PolarHBondContact O-N 3.02Å; V529-F532 PolarHBondContact O-N 3.29Å; V529-F532 VanDerWaalsContact O-N 3.13Å; V529-L533 HydrophobicContact CG1-CD1 3.64Å; V529-L533 HydrophobicContact CG1-CG 4.16Å; V529-L533 WeakPolarHBondContact O-CB 3.42Å; V529-L533 WeakPolarHBondContact O-CG 3.5Å; V529-L533 PolarHBondContact O-N 3.11Å
530	K	68.6	Low	71.4	Confident	114 Å²	114	102 Å²	102	50%	0.496	49%	0.491	S	S	.	.	H	α-helix	trans	-58.4	-42.4	175.3	179.3	174.5	156	-138	0	112.3	R526 E527 S534	R526-K530 VanDerWaalsContact O-CB 3.3Å; R526-K530 WeakPolarHBondContact O-CB 3.4Å; R526-K530 PolarHBondContact O-N 3.02Å; E527-K530 PolarHBondContact O-N 3.37Å; E527-K530 IonicContact OE1-NZ 3.85Å; E527-K530 PolarHBondContact OE1-NZ 3.25Å; E527-K530 WeakPolarHBondContact OE2-CD 3.22Å; E527-K530 IonicContact OE2-NZ 2.79Å; E527-K530 PolarHBondContact OE2-NZ 2.98Å; K530-S534 VanDerWaalsContact O-CB 3.29Å; K530-S534 WeakPolarHBondContact O-CB 3.35Å; K530-S534 PolarHBondContact O-N 3.07Å; K530-S534 PolarHBondContact O-OG 3.42Å
531	N	70.4	Confident	71.6	Confident	87 Å²	87	105 Å²	105	47%	0.465	49%	0.494	S	S	.	.	H	α-helix	trans	-72.6	-22.9	176.1	-75.2	-28.3	0	0	0	114.1	E527 Q528 V529 S534 K535	E527-N531 VanDerWaalsContact O-CB 3.27Å; E527-N531 WeakPolarHBondContact O-CB 3.37Å; E527-N531 VanDerWaalsContact O-CG 3.29Å; E527-N531 PolarHBondContact O-N 3.04Å; E527-N531 PolarHBondContact O-ND2 2.88Å; Q528-N531 PolarHBondContact O-N 3.47Å; V529-N531 VanDerWaalsContact C-N 3.34Å; V529-N531 PolarHBondContact O-N 3.02Å; N531-S534 WeakPolarHBondContact CA-OG 3.27Å; N531-S534 PolarHBondContact O-OG 2.98Å; N531-K535 WeakPolarHBondContact O-CD 3.44Å; N531-K535 VanDerWaalsContact O-CG 3.3Å; N531-K535 WeakPolarHBondContact O-CG 3.41Å
532	F	72.4	Confident	71.3	Confident	125 Å²	125	101.8 Å²	101.8	55%	0.548	48%	0.484	S	S	.	.	H	α-helix	trans	-80.9	-42	172.4	-174	-93.9	0	0	0	111.7	Q528 V529	Q528-F532 WeakPolarHBondContact O-CB 3.37Å; Q528-F532 PolarHBondContact O-N 2.96Å; V529-F532 PolarHBondContact O-N 3.29Å; V529-F532 VanDerWaalsContact O-N 3.13Å
533	L	62.2	Low	71	Confident	55 Å²	55	102.5 Å²	102.5	29%	0.288	48%	0.484	S	S	.	.	H	α-helix	trans	-64.2	-41.3	175.1	-67.8	169.1	0	0	0	111.3	V529 K535 R536 I539	V529-L533 HydrophobicContact CG1-CD1 3.64Å; V529-L533 HydrophobicContact CG1-CG 4.16Å; V529-L533 WeakPolarHBondContact O-CB 3.42Å; V529-L533 WeakPolarHBondContact O-CG 3.5Å; V529-L533 PolarHBondContact O-N 3.11Å; L533-K535 VanDerWaalsContact C-N 3.33Å; L533-K535 PolarHBondContact O-N 2.84Å; L533-R536 PolarHBondContact O-N 3.07Å; L533-I539 HydrophobicContact CB-CG2 3.93Å; L533-I539 HydrophobicContact CD2-CD1 3.9Å; L533-I539 HydrophobicContact CD2-CG2 3.64Å; L533-I539 HydrophobicContact CG-CG2 4.37Å
534	S	62.5	Low	70.9	Confident	49 Å²	49	101.7 Å²	101.7	34%	0.343	49%	0.485	S	S	.	.	H	α-helix	trans	-68	-28.6	-178.4	66.4	0	0	0	0	113.9	K530 N531 R536	K530-S534 VanDerWaalsContact O-CB 3.29Å; K530-S534 WeakPolarHBondContact O-CB 3.35Å; K530-S534 PolarHBondContact O-N 3.07Å; K530-S534 PolarHBondContact O-OG 3.42Å; N531-S534 WeakPolarHBondContact CA-OG 3.27Å; N531-S534 PolarHBondContact O-OG 2.98Å; S534-R536 VanDerWaalsContact C-N 3.31Å; S534-R536 PolarHBondContact O-N 2.94Å
535	K	67.9	Low	70.6	Confident	179 Å²	179	102.6 Å²	102.6	78%	0.778	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-12.2	178.5	-75.1	178.6	-179.1	-172.2	0	114.4	N531 L533	N531-K535 WeakPolarHBondContact O-CD 3.44Å; N531-K535 VanDerWaalsContact O-CG 3.3Å; N531-K535 WeakPolarHBondContact O-CG 3.41Å; L533-K535 VanDerWaalsContact C-N 3.33Å; L533-K535 PolarHBondContact O-N 2.84Å
536	R	77.4	Confident	70.5	Confident	141 Å²	141	102.1 Å²	102.1	53%	0.532	48%	0.482	S	S	.	.			trans	-102.3	110.6	179.7	-69.3	-172.3	177.1	-135.8	-1.5	110.6	L533 S534 L538 I539 M540	L533-R536 PolarHBondContact O-N 3.07Å; S534-R536 VanDerWaalsContact C-N 3.31Å; S534-R536 PolarHBondContact O-N 2.94Å; R536-L538 VanDerWaalsContact C-N 3.3Å; R536-L538 PolarHBondContact O-N 3.25Å; R536-I539 HydrophobicContact CB-CB 4.04Å; R536-I539 HydrophobicContact CB-CD1 3.91Å; R536-I539 HydrophobicContact CB-CG1 3.85Å; R536-I539 HydrophobicContact CG-CD1 4.36Å; R536-I539 WeakPolarHBondContact O-CA 3.36Å; R536-I539 WeakPolarHBondContact O-CB 3.37Å; R536-I539 PolarHBondContact O-N 3.41Å; R536-M540 PolarHBondContact O-N 3.17Å
537	V	68.3	Low	70.5	Confident	126 Å²	126	97.5 Å²	97.5	76%	0.764	47%	0.474	S	S	*	.	H	α-helix	trans	-52	-44.8	-177	-178.9	0	0	0	0	112.7	I539 M540 Y541	V537-I539 VanDerWaalsContact C-N 3.3Å; V537-I539 PolarHBondContact O-N 3.4Å; V537-M540 PolarHBondContact O-N 2.98Å; V537-Y541 WeakPolarHBondContact O-CB 3.36Å; V537-Y541 PolarHBondContact O-N 3Å
538	L	69.2	Low	70.5	Confident	138 Å²	138	96.4 Å²	96.4	72%	0.723	47%	0.469	S	S	*	.	H	α-helix	trans	-62.8	-34.2	177.3	-68.5	174.5	0	0	0	113.1	R536 Y541 F542	R536-L538 VanDerWaalsContact C-N 3.3Å; R536-L538 PolarHBondContact O-N 3.25Å; L538-Y541 WeakPolarHBondContact O-CB 3.26Å; L538-F542 WeakPolarHBondContact O-CD2 3.47Å
539	I	67.9	Low	70.7	Confident	45 Å²	45	91.9 Å²	91.9	23%	0.231	45%	0.451	C	S	.	.	H	α-helix	trans	-74.6	-50.6	177	-61.3	-172.7	0	0	0	108.9	L533 R536 V537 Y541 F542 F543	L533-I539 HydrophobicContact CB-CG2 3.93Å; L533-I539 HydrophobicContact CD2-CD1 3.9Å; L533-I539 HydrophobicContact CD2-CG2 3.64Å; L533-I539 HydrophobicContact CG-CG2 4.37Å; R536-I539 HydrophobicContact CB-CB 4.04Å; R536-I539 HydrophobicContact CB-CD1 3.91Å; R536-I539 HydrophobicContact CB-CG1 3.85Å; R536-I539 HydrophobicContact CG-CD1 4.36Å; R536-I539 WeakPolarHBondContact O-CA 3.36Å; R536-I539 WeakPolarHBondContact O-CB 3.37Å; R536-I539 PolarHBondContact O-N 3.41Å; V537-I539 VanDerWaalsContact C-N 3.3Å; V537-I539 PolarHBondContact O-N 3.4Å; I539-Y541 PolarHBondContact O-N 3.44Å; I539-Y541 VanDerWaalsContact O-N 3.11Å; I539-F542 PolarHBondContact O-N 3.48Å; I539-F543 HydrophobicContact CG2-CD2 3.61Å; I539-F543 HydrophobicContact CG2-CE2 3.67Å; I539-F543 WeakPolarHBondContact O-CD2 3.26Å; I539-F543 PolarHBondContact O-N 3.17Å; I539-F543 VanDerWaalsContact O-N 3.11Å
540	M	70.2	Confident	71	Confident	89 Å²	89	88.3 Å²	88.3	44%	0.438	43%	0.429	S	S	.	.	H	α-helix	trans	-53	-35.5	175.9	-172.2	63.5	86.4	0	0	112.2	R536 V537 F542 F543 S544	R536-M540 PolarHBondContact O-N 3.17Å; V537-M540 PolarHBondContact O-N 2.98Å; M540-F542 PolarHBondContact O-N 2.99Å; M540-F543 CarbonylContact O-C 3.46Å; M540-F543 PolarHBondContact O-N 2.86Å; M540-S544 WeakPolarHBondContact O-CA 3.41Å; M540-S544 VanDerWaalsContact O-CB 3.27Å; M540-S544 WeakPolarHBondContact O-CB 3.47Å; M540-S544 PolarHBondContact O-N 3.42Å
541	Y	74.6	Confident	71.5	Confident	120 Å²	120	83.2 Å²	83.2	47%	0.471	41%	0.407	S	S	.	.	H	α-helix	trans	-57.5	-45	174	-176.9	-108.9	0	0	0	113.3	R102 V537 L538 I539 S544	R102-Y541 PolarHBondContact NH1-OH 3.1Å; R102-Y541 VanDerWaalsContact NH2-CE2 3.33Å; R102-Y541 VanDerWaalsContact NH2-CZ 3.32Å; R102-Y541 PolarHBondContact NH2-OH 3.27Å; V537-Y541 WeakPolarHBondContact O-CB 3.36Å; V537-Y541 PolarHBondContact O-N 3Å; L538-Y541 WeakPolarHBondContact O-CB 3.26Å; I539-Y541 PolarHBondContact O-N 3.44Å; I539-Y541 VanDerWaalsContact O-N 3.11Å; Y541-S544 PolarHBondContact O-OG 3.32Å
542	F	72.4	Confident	72.1	Confident	88 Å²	88	80.3 Å²	80.3	39%	0.386	39%	0.391	S	S	.	.	H	α-helix	trans	-73.5	-33.2	177.5	-72.7	-74.1	0	0	0	113.8	R102 L103 I106 L538 I539 M540	R102-F542 HydrophobicContact CB-CD1 4.02Å; R102-F542 PolarHBondContact N-O 2.95Å; L103-F542 PolarHBondContact N-O 3.38Å; L103-F542 VanDerWaalsContact N-O 3.11Å; I106-F542 HydrophobicContact CD1-CD1 3.96Å; I106-F542 HydrophobicContact CD1-CE1 3.95Å; L538-F542 WeakPolarHBondContact O-CD2 3.47Å; I539-F542 PolarHBondContact O-N 3.48Å; M540-F542 PolarHBondContact O-N 2.99Å
543	F	71.6	Confident	72.7	Confident	106 Å²	106	75.8 Å²	75.8	47%	0.465	38%	0.376	S	S	.	.	H	α-helix	trans	-83.2	-16.6	178.1	-77.9	-90.6	0	0	0	113.6	L103 I539 M540 K545	L103-F543 HydrophobicContact CD2-CD1 4.03Å; L103-F543 HydrophobicContact CD2-CE1 3.44Å; L103-F543 VanDerWaalsContact CD2-CE1 3.44Å; L103-F543 HydrophobicContact CD2-CE2 4.06Å; L103-F543 HydrophobicContact CD2-CZ 3.46Å; L103-F543 VanDerWaalsContact CD2-CZ 3.46Å; I539-F543 HydrophobicContact CG2-CD2 3.61Å; I539-F543 HydrophobicContact CG2-CE2 3.67Å; I539-F543 WeakPolarHBondContact O-CD2 3.26Å; I539-F543 PolarHBondContact O-N 3.17Å; I539-F543 VanDerWaalsContact O-N 3.11Å; M540-F543 CarbonylContact O-C 3.46Å; M540-F543 PolarHBondContact O-N 2.86Å; F543-K545 PolarHBondContact O-N 2.83Å
544	S	69.6	Low	73.8	Confident	41 Å²	41	73.7 Å²	73.7	29%	0.287	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-56.7	127.2	179.7	67.2	0	0	0	0	111	M540 Y541	M540-S544 WeakPolarHBondContact O-CA 3.41Å; M540-S544 VanDerWaalsContact O-CB 3.27Å; M540-S544 WeakPolarHBondContact O-CB 3.47Å; M540-S544 PolarHBondContact O-N 3.42Å; Y541-S544 PolarHBondContact O-OG 3.32Å
545	K	72.8	Confident	75.1	Confident	129 Å²	129	71.5 Å²	71.5	56%	0.561	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-85.5	121.7	179.9	-174.6	173.8	175	-179.3	0	108.5	C100 F543 P547 S550	C100-K545 HydrophobicContact CB-CG 4.37Å; C100-K545 CarbonylContact O-C 3.54Å; C100-K545 WeakPolarHBondContact O-CA 3.37Å; F543-K545 PolarHBondContact O-N 2.83Å; K545-P547 WeakPolarHBondContact O-CD 3.3Å; K545-S550 WeakPolarHBondContact CE-OG 3.25Å
546	H	73.2	Confident	75.9	Confident	81 Å²	81	63.7 Å²	63.7	38%	0.375	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-73.7	116.4	174.8	-76.2	-73.2	0	0	0	109	C100 E548 A549 S550	C100-H546 PolarHBondContact O-N 2.95Å; H546-E548 PolarHBondContact O-N 3.18Å; H546-A549 HydrophobicContact CB-CB 3.77Å; H546-A549 PolarHBondContact O-N 2.82Å; H546-A549 VanDerWaalsContact O-N 3.15Å; H546-S550 PolarHBondContact O-N 3.3Å
547	P	69.8	Low	76.4	Confident	68 Å²	68	58.2 Å²	58.2	44%	0.442	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-42.4	-172.7	23.4	-33	0	0	0	111.8	K545 A549 S550 I551	K545-P547 WeakPolarHBondContact O-CD 3.3Å; P547-A549 VanDerWaalsContact C-N 3.33Å; P547-A549 PolarHBondContact O-N 3.48Å; P547-S550 PolarHBondContact O-N 2.96Å; P547-S550 PolarHBondContact O-OG 2.95Å; P547-I551 WeakPolarHBondContact O-CB 3.32Å; P547-I551 VanDerWaalsContact O-CG1 3.27Å; P547-I551 WeakPolarHBondContact O-CG1 3.39Å; P547-I551 PolarHBondContact O-N 2.73Å
548	E	74.8	Confident	77.5	Confident	49 Å²	49	52.2 Å²	52.2	23%	0.229	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-37.6	175.7	179	60.4	-157.7	0	0	112.3	H546 I551 Q552 R631	H546-E548 PolarHBondContact O-N 3.18Å; E548-I551 PolarHBondContact O-N 3.4Å; E548-Q552 VanDerWaalsContact O-CG 3.29Å; E548-Q552 WeakPolarHBondContact O-CG 3.39Å; E548-Q552 PolarHBondContact O-N 3.47Å; E548-Q552 PolarHBondContact OE1-NE2 2.84Å; E548-R631 IonicContact OE1-CZ 3.01Å; E548-R631 IonicContact OE1-NH2 3.77Å; E548-R631 PolarHBondContact OE1-NH2 3.39Å; E548-R631 IonicContact OE2-CZ 2.83Å; E548-R631 IonicContact OE2-NH1 3.76Å; E548-R631 IonicContact OE2-NH2 2.7Å; E548-R631 PolarHBondContact OE2-NH2 3.44Å
549	A	76.5	Confident	78.6	Confident	16 Å²	16	46.9 Å²	46.9	13%	0.132	24%	0.235	C	C	.	.	H	α-helix	trans	-67.6	-39.4	176.1	0	0	0	0	0	111.6	I98 H546 P547 Q552 A553	I98-A549 HydrophobicContact CG2-CB 4.08Å; I98-A549 VanDerWaalsContact CG2-O 3.27Å; I98-A549 WeakPolarHBondContact CG2-O 3.15Å; H546-A549 HydrophobicContact CB-CB 3.77Å; H546-A549 PolarHBondContact O-N 2.82Å; H546-A549 VanDerWaalsContact O-N 3.15Å; P547-A549 VanDerWaalsContact C-N 3.33Å; P547-A549 PolarHBondContact O-N 3.48Å; A549-Q552 PolarHBondContact O-N 3.47Å; A549-A553 WeakPolarHBondContact O-CB 3.44Å; A549-A553 PolarHBondContact O-N 2.91Å
550	S	78.3	Confident	79.8	Confident	8 Å²	8	46.1 Å²	46.1	6%	0.056	23%	0.23	C	C	.	.	H	α-helix	trans	-71.5	-31	175.6	64	0	0	0	0	113.6	Y383 K545 H546 P547 A553 V554	Y383-S550 PolarHBondContact OH-OG 3.5Å; K545-S550 WeakPolarHBondContact CE-OG 3.25Å; H546-S550 PolarHBondContact O-N 3.3Å; P547-S550 PolarHBondContact O-N 2.96Å; P547-S550 PolarHBondContact O-OG 2.95Å; S550-A553 PolarHBondContact O-N 3.31Å; S550-V554 WeakPolarHBondContact O-CG2 3.23Å; S550-V554 PolarHBondContact O-N 3.5Å
551	I	79.4	Confident	81	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.036	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-50.7	170.4	-75.4	164.9	0	0	0	110.1	P547 E548 A553 V554 Y605 H610	P547-I551 WeakPolarHBondContact O-CB 3.32Å; P547-I551 VanDerWaalsContact O-CG1 3.27Å; P547-I551 WeakPolarHBondContact O-CG1 3.39Å; P547-I551 PolarHBondContact O-N 2.73Å; E548-I551 PolarHBondContact O-N 3.4Å; I551-A553 VanDerWaalsContact C-N 3.29Å; I551-A553 PolarHBondContact O-N 3.48Å; I551-V554 PolarHBondContact O-N 2.95Å; I551-V554 VanDerWaalsContact O-N 3.16Å; I551-Y605 VanDerWaalsContact CA-OH 3.32Å; I551-Y605 WeakPolarHBondContact CA-OH 3.46Å; I551-Y605 WeakPolarHBondContact CB-OH 3.45Å; I551-Y605 WeakPolarHBondContact CG1-OH 3.17Å; I551-Y605 HydrophobicContact CG2-CE1 4.44Å; I551-Y605 WeakPolarHBondContact CG2-OH 3.42Å; I551-H610 HydrophobicContact CD1-CB 4.07Å
552	Q	82.9	Confident	82	Confident	26 Å²	26	37.1 Å²	37.1	12%	0.121	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-33.7	178.5	-66.8	173.4	14.3	0	0	112.2	I98 E548 A549 V554 F555 S556	I98-Q552 HydrophobicContact CD1-CB 3.78Å; E548-Q552 VanDerWaalsContact O-CG 3.29Å; E548-Q552 WeakPolarHBondContact O-CG 3.39Å; E548-Q552 PolarHBondContact O-N 3.47Å; E548-Q552 PolarHBondContact OE1-NE2 2.84Å; A549-Q552 PolarHBondContact O-N 3.47Å; Q552-V554 VanDerWaalsContact C-N 3.29Å; Q552-V554 PolarHBondContact O-N 3.08Å; Q552-F555 CarbonylContact O-C 3.23Å; Q552-F555 PolarHBondContact O-N 3.07Å; Q552-S556 PolarHBondContact O-N 2.92Å
553	A	84.7	Confident	83.1	Confident	30 Å²	30	33.4 Å²	33.4	25%	0.248	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-24.9	175.6	0	0	0	0	0	114.2	I98 A549 S550 I551 S556	I98-A553 HydrophobicContact CB-CB 4.24Å; I98-A553 HydrophobicContact CG2-CB 4.41Å; A549-A553 WeakPolarHBondContact O-CB 3.44Å; A549-A553 PolarHBondContact O-N 2.91Å; S550-A553 PolarHBondContact O-N 3.31Å; I551-A553 VanDerWaalsContact C-N 3.29Å; I551-A553 PolarHBondContact O-N 3.48Å; A553-S556 PolarHBondContact O-OG 2.68Å
554	V	86.3	Confident	84.2	Confident	12 Å²	12	28.3 Å²	28.3	7%	0.073	15%	0.153	C	C	.	.	H	α-helix	trans	-72.4	-31.3	174.3	174.3	0	0	0	0	111.6	K379 L380 Y383 S550 I551 Q552	K379-V554 VanDerWaalsContact CE-O 3.24Å; K379-V554 WeakPolarHBondContact CE-O 3.32Å; K379-V554 HydrophobicContact CG-CG1 4.46Å; K379-V554 PolarHBondContact NZ-O 3.4Å; L380-V554 HydrophobicContact CD2-CG1 3.84Å; Y383-V554 HydrophobicContact CD2-CG2 3.35Å; Y383-V554 HydrophobicContact CE2-CG2 3.67Å; Y383-V554 HydrophobicContact CG-CG2 3.87Å; S550-V554 WeakPolarHBondContact O-CG2 3.23Å; S550-V554 PolarHBondContact O-N 3.5Å; I551-V554 PolarHBondContact O-N 2.95Å; I551-V554 VanDerWaalsContact O-N 3.16Å; Q552-V554 VanDerWaalsContact C-N 3.29Å; Q552-V554 PolarHBondContact O-N 3.08Å
555	F	88.6	Confident	85.5	Confident	3 Å²	3	26.4 Å²	26.4	1%	0.013	14%	0.139	C	C	.	.	S	Bend	trans	-106.5	12.1	-177.3	-69.3	-94	0	0	0	113.8	M376 L380 Q552 D557 A558 Y605 L630 R631 F634	M376-F555 HydrophobicContact CE-CD1 3.46Å; M376-F555 VanDerWaalsContact CE-CD1 3.46Å; M376-F555 HydrophobicContact CE-CE1 3.38Å; M376-F555 HydrophobicContact CE-CG 4.13Å; M376-F555 HydrophobicContact CE-CZ 3.99Å; L380-F555 HydrophobicContact CD2-CE1 4.38Å; L380-F555 HydrophobicContact CD2-CE2 3.89Å; L380-F555 HydrophobicContact CD2-CZ 3.56Å; Q552-F555 CarbonylContact O-C 3.23Å; Q552-F555 PolarHBondContact O-N 3.07Å; F555-D557 PolarHBondContact O-N 3.47Å; F555-A558 HydrophobicContact CB-CB 4.04Å; F555-A558 HydrophobicContact CD1-CB 3.95Å; F555-A558 HydrophobicContact CG-CB 4.49Å; F555-A558 VanDerWaalsContact O-CB 3.25Å; F555-A558 WeakPolarHBondContact O-CB 3.15Å; F555-A558 PolarHBondContact O-N 3.4Å; F555-A558 VanDerWaalsContact O-N 3.1Å; F555-Y605 HydrophobicContact CD2-CE1 4.48Å; F555-Y605 AromaticContact CE2-CD1 4Å; F555-Y605 HydrophobicContact CE2-CD1 4Å; F555-Y605 AromaticContact CE2-CE1 3.51Å; F555-Y605 HydrophobicContact CE2-CE1 3.51Å; F555-Y605 HydrophobicContact CE2-CE2 4.15Å; F555-Y605 AromaticContact CE2-CZ 3.58Å; F555-Y605 HydrophobicContact CZ-CD1 4.18Å; F555-Y605 HydrophobicContact CZ-CE1 4.14Å; F555-L630 WeakPolarHBondContact O-CD1 3.42Å; F555-R631 HydrophobicContact CB-CB 4.27Å; F555-R631 HydrophobicContact CD1-CB 3.89Å; F555-R631 HydrophobicContact CD2-CB 3.89Å; F555-R631 HydrophobicContact CE1-CB 4.15Å; F555-R631 HydrophobicContact CE2-CB 4.16Å; F555-R631 HydrophobicContact CG-CB 3.74Å; F555-R631 HydrophobicContact CZ-CB 4.27Å; F555-F634 HydrophobicContact CD1-CD1 4.36Å; F555-F634 AromaticContact CE1-CD1 3.8Å; F555-F634 HydrophobicContact CE1-CD1 3.8Å; F555-F634 HydrophobicContact CE1-CE1 4.38Å
556	S	85.3	Confident	86.6	Confident	14 Å²	14	21.2 Å²	21.2	10%	0.098	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-30.3	-177.3	56.3	0	0	0	0	113.2	V95 P96 Q552 A553	V95-S556 WeakPolarHBondContact CG1-OG 3.45Å; P96-S556 WeakPolarHBondContact CD-O 3.39Å; Q552-S556 PolarHBondContact O-N 2.92Å; A553-S556 PolarHBondContact O-OG 2.68Å
557	D	89.1	Confident	87.7	Confident	26 Å²	26	17.4 Å²	17.4	14%	0.139	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	1	179.5	55.6	-6.6	0	0	0	113.1	V95 Y329 K379 F555 Q559 M560	V95-D557 HydrophobicContact CG1-CB 4.3Å; V95-D557 HydrophobicContact CG2-CB 4.09Å; Y329-D557 WeakPolarHBondContact OH-CA 3.38Å; Y329-D557 PolarHBondContact OH-O 2.69Å; K379-D557 IonicContact NZ-OD1 2.87Å; K379-D557 PolarHBondContact NZ-OD1 3.38Å; K379-D557 IonicContact NZ-OD2 3.8Å; K379-D557 PolarHBondContact NZ-OD2 3.41Å; F555-D557 PolarHBondContact O-N 3.47Å; D557-Q559 PolarHBondContact O-N 3.43Å; D557-M560 HydrophobicContact CB-CE 3.7Å; D557-M560 HydrophobicContact CB-SD 4.27Å; D557-M560 VanDerWaalsContact O-CG 3.28Å; D557-M560 WeakPolarHBondContact O-CG 3.43Å; D557-M560 PolarHBondContact O-N 3.11Å; D557-M560 VanDerWaalsContact O-N 3.11Å
558	A	91.3	Very high	89	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.1	-18.3	-171.1	0	0	0	0	0	114.6	F555 M560 H561 I562 L630	F555-A558 HydrophobicContact CB-CB 4.04Å; F555-A558 HydrophobicContact CD1-CB 3.95Å; F555-A558 HydrophobicContact CG-CB 4.49Å; F555-A558 VanDerWaalsContact O-CB 3.25Å; F555-A558 WeakPolarHBondContact O-CB 3.15Å; F555-A558 PolarHBondContact O-N 3.4Å; F555-A558 VanDerWaalsContact O-N 3.1Å; A558-M560 VanDerWaalsContact C-N 3.26Å; A558-M560 PolarHBondContact O-N 3.21Å; A558-H561 PolarHBondContact O-N 3.43Å; A558-H561 VanDerWaalsContact O-N 3.12Å; A558-I562 WeakPolarHBondContact O-CG1 3.4Å; A558-I562 PolarHBondContact O-N 3.32Å; A558-L630 HydrophobicContact CB-CB 4.28Å
559	Q	92.5	Very high	90	Very high	27 Å²	27	12 Å²	12	13%	0.126	7%	0.069	C	C	.	.	H	α-helix	trans	-57.8	-37.2	174.7	-170.1	61	47.7	0	0	112.7	Y329 D557 H561 I562 W563 L630	Y329-Q559 HydrophobicContact CE1-CB 4.07Å; Y329-Q559 HydrophobicContact CE1-CG 4.44Å; D557-Q559 PolarHBondContact O-N 3.43Å; Q559-H561 VanDerWaalsContact C-N 3.34Å; Q559-I562 PolarHBondContact O-N 3.4Å; Q559-W563 HydrophobicContact CG-CD2 4.26Å; Q559-W563 HydrophobicContact CG-CE3 4.32Å; Q559-W563 HydrophobicContact CG-CH2 3.86Å; Q559-W563 HydrophobicContact CG-CZ2 3.78Å; Q559-W563 HydrophobicContact CG-CZ3 4.12Å; Q559-W563 PolarHBondContact O-N 3.12Å; Q559-W563 VanDerWaalsContact O-N 3.13Å; Q559-L630 HydrophobicContact CB-CD2 4.11Å; Q559-L630 VanDerWaalsContact OE1-CD2 3.25Å
560	M	92.8	Very high	91	Very high	29 Å²	29	13.1 Å²	13.1	14%	0.143	7%	0.071	C	C	.	.	H	α-helix	trans	-68.9	-35.9	177.2	79.6	-162.5	170.2	0	0	111.7	Y329 L332 D557 A558 W563 A564	Y329-M560 HydrophobicContact CD2-CB 4.31Å; Y329-M560 HydrophobicContact CE2-CB 3.76Å; Y329-M560 HydrophobicContact CE2-CG 4.41Å; Y329-M560 HydrophobicContact CE2-SD 3.9Å; L332-M560 HydrophobicContact CD1-CB 3.75Å; D557-M560 HydrophobicContact CB-CE 3.7Å; D557-M560 HydrophobicContact CB-SD 4.27Å; D557-M560 VanDerWaalsContact O-CG 3.28Å; D557-M560 WeakPolarHBondContact O-CG 3.43Å; D557-M560 PolarHBondContact O-N 3.11Å; D557-M560 VanDerWaalsContact O-N 3.11Å; A558-M560 VanDerWaalsContact C-N 3.26Å; A558-M560 PolarHBondContact O-N 3.21Å; M560-W563 PolarHBondContact O-N 2.69Å; M560-A564 WeakPolarHBondContact O-CB 3.2Å; M560-A564 PolarHBondContact O-N 2.87Å
561	H	94.6	Very high	91.9	Very high	7 Å²	7	12.8 Å²	12.8	3%	0.032	7%	0.068	C	C	.	.	H	α-helix	trans	-70.7	-37.4	175.7	-58.1	-56.1	0	0	0	111.6	L372 A558 Q559 L565 F634	L372-H561 PolarHBondContact O-CE1 3.46Å; L372-H561 PolarHBondContact O-ND1 3.36Å; L372-H561 VanDerWaalsContact O-ND1 3.08Å; A558-H561 PolarHBondContact O-N 3.43Å; A558-H561 VanDerWaalsContact O-N 3.12Å; Q559-H561 VanDerWaalsContact C-N 3.34Å; H561-L565 WeakPolarHBondContact O-CB 3.38Å; H561-L565 PolarHBondContact O-N 2.91Å; H561-F634 HydrophobicContact CB-CD2 4.2Å; H561-F634 HydrophobicContact CB-CE2 3.57Å; H561-F634 HydrophobicContact CB-CZ 4.27Å
562	I	95.1	Very high	92.7	Very high	12 Å²	12	12.4 Å²	12.4	6%	0.062	7%	0.067	C	C	.	.	H	α-helix	trans	-58.2	-48.8	172.3	-68	169.7	0	0	0	110.5	A558 Q559 L565 E566 L630 A633 F634	A558-I562 WeakPolarHBondContact O-CG1 3.4Å; A558-I562 PolarHBondContact O-N 3.32Å; Q559-I562 PolarHBondContact O-N 3.4Å; I562-L565 WeakPolarHBondContact O-CB 3.46Å; I562-L565 PolarHBondContact O-N 3.11Å; I562-E566 HydrophobicContact CG2-CG 4.25Å; I562-E566 WeakPolarHBondContact O-CB 3.47Å; I562-E566 WeakPolarHBondContact O-CG 3.38Å; I562-E566 PolarHBondContact O-N 3.05Å; I562-L630 HydrophobicContact CD1-CD2 4.02Å; I562-A633 HydrophobicContact CD1-CB 3.89Å; I562-F634 HydrophobicContact CD1-CB 4.2Å; I562-F634 HydrophobicContact CG1-CB 4.03Å; I562-F634 HydrophobicContact CG1-CD2 3.82Å; I562-F634 HydrophobicContact CG1-CG 4.44Å
563	W	95.6	Very high	93.3	Very high	10 Å²	10	12 Å²	12	4%	0.038	7%	0.068	C	C	.	.	H	α-helix	trans	-69.4	-38.6	-179.1	-68.4	-29.8	0	0	0	114	F194 Y329 L332 Q333 M336 Q559 M560 L565 G567	F194-W563 HydrophobicContact CB-CH2 3.51Å; F194-W563 HydrophobicContact CB-CZ2 3.73Å; F194-W563 AromaticContact CD1-CH2 3.88Å; F194-W563 HydrophobicContact CD1-CH2 3.88Å; F194-W563 AromaticContact CD2-CH2 3.97Å; F194-W563 HydrophobicContact CD2-CH2 3.97Å; F194-W563 AromaticContact CG-CH2 3.53Å; F194-W563 HydrophobicContact CG-CH2 3.53Å; F194-W563 HydrophobicContact CG-CZ2 4.24Å; Y329-W563 HydrophobicContact CD1-CH2 4.13Å; Y329-W563 AromaticContact CD1-CZ3 3.58Å; Y329-W563 HydrophobicContact CD1-CZ3 3.58Å; Y329-W563 HydrophobicContact CE1-CZ3 4.43Å; Y329-W563 AromaticContact CG-CZ3 3.96Å; Y329-W563 HydrophobicContact CG-CZ3 3.96Å; Y329-W563 WeakPolarHBondContact O-CZ3 3.16Å; L332-W563 HydrophobicContact CB-CB 4Å; L332-W563 HydrophobicContact CB-CE3 4.03Å; Q333-W563 HydrophobicContact CB-CD2 4.18Å; Q333-W563 HydrophobicContact CB-CE3 4.14Å; Q333-W563 HydrophobicContact CB-CH2 4.03Å; Q333-W563 HydrophobicContact CB-CZ2 4.08Å; Q333-W563 HydrophobicContact CB-CZ3 4.06Å; Q333-W563 HydrophobicContact CG-CZ2 4.22Å; M336-W563 HydrophobicContact CB-CB 4.4Å; M336-W563 HydrophobicContact SD-CG 4.42Å; Q559-W563 HydrophobicContact CG-CD2 4.26Å; Q559-W563 HydrophobicContact CG-CE3 4.32Å; Q559-W563 HydrophobicContact CG-CH2 3.86Å; Q559-W563 HydrophobicContact CG-CZ2 3.78Å; Q559-W563 HydrophobicContact CG-CZ3 4.12Å; Q559-W563 PolarHBondContact O-N 3.12Å; Q559-W563 VanDerWaalsContact O-N 3.13Å; M560-W563 PolarHBondContact O-N 2.69Å; W563-L565 VanDerWaalsContact C-N 3.28Å; W563-L565 PolarHBondContact O-N 3.08Å; W563-G567 WeakPolarHBondContact O-CA 3.44Å; W563-G567 PolarHBondContact O-N 3.35Å
564	A	96.2	Very high	93.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.5	-39.8	172.8	0	0	0	0	0	111.7	L332 C369 L372 M560 L568	L332-A564 HydrophobicContact CD2-CB 4.11Å; C369-A564 HydrophobicContact CB-CB 4.24Å; L372-A564 HydrophobicContact CD1-CB 4.13Å; M560-A564 WeakPolarHBondContact O-CB 3.2Å; M560-A564 PolarHBondContact O-N 2.87Å; A564-L568 WeakPolarHBondContact O-CB 3.42Å; A564-L568 PolarHBondContact O-N 3.35Å
565	L	96.4	Very high	94.3	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-70.7	-48.8	-179.7	176.7	59.1	0	0	0	113.4	L373 H561 I562 W563 S569 L595 F634 L638 A641	L373-L565 HydrophobicContact CD1-CD1 4.46Å; L373-L565 HydrophobicContact CD2-CB 4.07Å; L373-L565 HydrophobicContact CD2-CD1 4.49Å; H561-L565 WeakPolarHBondContact O-CB 3.38Å; H561-L565 PolarHBondContact O-N 2.91Å; I562-L565 WeakPolarHBondContact O-CB 3.46Å; I562-L565 PolarHBondContact O-N 3.11Å; W563-L565 VanDerWaalsContact C-N 3.28Å; W563-L565 PolarHBondContact O-N 3.08Å; L565-S569 WeakPolarHBondContact O-CB 3.23Å; L565-S569 PolarHBondContact O-N 3Å; L565-S569 PolarHBondContact O-OG 3.28Å; L565-L595 HydrophobicContact CD1-CD2 3.37Å; L565-F634 HydrophobicContact CD2-CD2 4.38Å; L565-F634 HydrophobicContact CD2-CE2 4.11Å; L565-L638 HydrophobicContact CD1-CD1 3.82Å; L565-L638 HydrophobicContact CD2-CB 3.92Å; L565-L638 HydrophobicContact CD2-CD1 4.03Å; L565-A641 HydrophobicContact CD1-CB 3.59Å; L565-A641 HydrophobicContact CG-CB 3.86Å
566	E	95.7	Very high	94.5	Very high	20 Å²	20	15.4 Å²	15.4	9%	0.093	8%	0.079	C	C	.	.	H	α-helix	trans	-63.4	-45.5	174.4	-66.8	-70.6	175.2	0	0	110.1	M336 I562 S569 H570 S637 R644	M336-E566 HydrophobicContact CG-CB 3.96Å; M336-E566 HydrophobicContact SD-CB 4.42Å; I562-E566 HydrophobicContact CG2-CG 4.25Å; I562-E566 WeakPolarHBondContact O-CB 3.47Å; I562-E566 WeakPolarHBondContact O-CG 3.38Å; I562-E566 PolarHBondContact O-N 3.05Å; E566-S569 PolarHBondContact O-N 3.01Å; E566-S569 PolarHBondContact O-OG 3.46Å; E566-H570 WeakPolarHBondContact O-CB 3.48Å; E566-H570 PolarHBondContact O-CD2 3.3Å; E566-H570 PolarHBondContact O-N 2.88Å; E566-H570 IonicContact OE2-NE2 2.72Å; E566-S637 WeakPolarHBondContact OE1-CB 3.49Å; E566-S637 PolarHBondContact OE1-OG 2.74Å; E566-R644 IonicContact OE2-CZ 2.98Å; E566-R644 VanDerWaalsContact OE2-CZ 3.25Å; E566-R644 IonicContact OE2-NH1 3.65Å; E566-R644 PolarHBondContact OE2-NH1 3.3Å; E566-R644 IonicContact OE2-NH2 2.9Å; E566-R644 PolarHBondContact OE2-NH2 3.1Å
567	G	95.6	Very high	94.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.8	-52.1	176.8	0	0	0	0	0	113.2	S339 W563 L571	S339-G567 WeakPolarHBondContact CB-O 3.41Å; S339-G567 WeakPolarHBondContact OG-CA 3.39Å; W563-G567 WeakPolarHBondContact O-CA 3.44Å; W563-G567 PolarHBondContact O-N 3.35Å; G567-L571 WeakPolarHBondContact O-CG 3.46Å; G567-L571 PolarHBondContact O-N 2.92Å
568	L	96.9	Very high	95.1	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-46.2	179.9	-176.3	62.3	0	0	0	111.9	W362 C369 L370 L373 A564 H570 L571 V572 I591	W362-L568 HydrophobicContact CH2-CD1 3.75Å; W362-L568 HydrophobicContact CZ2-CD1 4.49Å; W362-L568 HydrophobicContact CZ3-CD1 4.29Å; C369-L568 HydrophobicContact CB-CB 4.31Å; C369-L568 HydrophobicContact CB-CD2 4.15Å; L370-L568 HydrophobicContact CD2-CD2 4Å; L370-L568 HydrophobicContact CG-CD2 4.33Å; L373-L568 HydrophobicContact CD1-CD2 4.35Å; A564-L568 WeakPolarHBondContact O-CB 3.42Å; A564-L568 PolarHBondContact O-N 3.35Å; L568-H570 PolarHBondContact O-N 3.47Å; L568-L571 PolarHBondContact O-N 3.43Å; L568-V572 HydrophobicContact CD1-CG2 4.39Å; L568-V572 VanDerWaalsContact O-CG2 3.3Å; L568-V572 WeakPolarHBondContact O-CG2 3.37Å; L568-V572 PolarHBondContact O-N 2.94Å; L568-I591 HydrophobicContact CD1-CD1 4.12Å; L568-I591 HydrophobicContact CD2-CG1 4.37Å; L568-I591 HydrophobicContact CD2-CG2 3.94Å; L568-I591 HydrophobicContact CG-CG2 4.32Å
569	S	96.8	Very high	95.2	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	11%	0.114	C	C	.	.	H	α-helix	trans	-70.2	-31.3	-177.8	56.4	0	0	0	0	113.6	L565 E566 A573 A641 R644	L565-S569 WeakPolarHBondContact O-CB 3.23Å; L565-S569 PolarHBondContact O-N 3Å; L565-S569 PolarHBondContact O-OG 3.28Å; E566-S569 PolarHBondContact O-N 3.01Å; E566-S569 PolarHBondContact O-OG 3.46Å; S569-A573 VanDerWaalsContact O-CB 3.28Å; S569-A573 WeakPolarHBondContact O-CB 3.34Å; S569-A573 PolarHBondContact O-N 2.94Å; S569-A641 WeakPolarHBondContact OG-CB 3.18Å; S569-R644 PolarHBondContact OG-NH1 3.36Å
570	H	96.8	Very high	95.1	Very high	40 Å²	40	30.7 Å²	30.7	19%	0.185	15%	0.147	C	C	.	.	H	α-helix	trans	-70.1	-38.8	170.2	-85	-69.4	0	0	0	112.7	S339 Q340 E566 L568 A573 A574 R644	S339-H570 VanDerWaalsContact OG-CB 3.31Å; S339-H570 WeakPolarHBondContact OG-CB 3.47Å; Q340-H570 WeakPolarHBondContact CG-CD2 3.36Å; Q340-H570 VanDerWaalsContact CG-NE2 3.29Å; Q340-H570 WeakPolarHBondContact CG-NE2 3.46Å; Q340-H570 PolarHBondContact NE2-CD2 2.93Å; Q340-H570 PolarHBondContact NE2-NE2 3.48Å; E566-H570 WeakPolarHBondContact O-CB 3.48Å; E566-H570 PolarHBondContact O-CD2 3.3Å; E566-H570 PolarHBondContact O-N 2.88Å; E566-H570 IonicContact OE2-NE2 2.72Å; L568-H570 PolarHBondContact O-N 3.47Å; H570-A573 PolarHBondContact O-N 2.64Å; H570-A574 WeakPolarHBondContact O-CB 3.45Å; H570-A574 PolarHBondContact O-N 3.3Å; H570-R644 PolarHBondContact CD2-NH1 3.27Å; H570-R644 VanDerWaalsContact CE1-CZ 3.43Å; H570-R644 PolarHBondContact CE1-NE 3.35Å; H570-R644 PolarHBondContact NE2-NH1 2.97Å; H570-R644 PolarHBondContact NE2-NH2 2.71Å; H570-R644 VanDerWaalsContact NE2-NH2 3.18Å
571	L	97	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.5	-42.8	173.5	-72	171.6	0	0	0	111.8	L335 L338 R346 V349 F350 W362 I365 G567 L568 A574 S575	L335-L571 HydrophobicContact CD1-CD1 4Å; L338-L571 HydrophobicContact CD2-CD2 4.02Å; R346-L571 HydrophobicContact CB-CD2 4.41Å; R346-L571 HydrophobicContact CG-CD2 3.77Å; V349-L571 HydrophobicContact CG1-CD1 4.33Å; V349-L571 HydrophobicContact CG1-CD2 4.43Å; F350-L571 HydrophobicContact CE1-CD2 4.42Å; F350-L571 HydrophobicContact CZ-CB 4.5Å; F350-L571 HydrophobicContact CZ-CD2 4.16Å; F350-L571 WeakPolarHBondContact CZ-O 3.39Å; W362-L571 HydrophobicContact CZ3-CB 3.88Å; W362-L571 HydrophobicContact CZ3-CD1 4.17Å; I365-L571 HydrophobicContact CG2-CD1 4.2Å; G567-L571 WeakPolarHBondContact O-CG 3.46Å; G567-L571 PolarHBondContact O-N 2.92Å; L568-L571 PolarHBondContact O-N 3.43Å; L571-A574 PolarHBondContact O-N 3.2Å; L571-S575 WeakPolarHBondContact O-CB 3.23Å; L571-S575 PolarHBondContact O-N 3.4Å
572	V	96.6	Very high	94.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-39.9	175.9	171.8	0	0	0	0	111.7	W362 L568 S575 V584 L588 I591 I645 F649	W362-V572 HydrophobicContact CH2-CG2 3.91Å; L568-V572 HydrophobicContact CD1-CG2 4.39Å; L568-V572 VanDerWaalsContact O-CG2 3.3Å; L568-V572 WeakPolarHBondContact O-CG2 3.37Å; L568-V572 PolarHBondContact O-N 2.94Å; V572-S575 PolarHBondContact O-OG 3.38Å; V572-V584 HydrophobicContact CB-CG1 4.44Å; V572-V584 HydrophobicContact CG2-CG1 3.97Å; V572-L588 HydrophobicContact CG1-CD1 3.69Å; V572-I591 HydrophobicContact CG2-CD1 3.79Å; V572-I645 HydrophobicContact CB-CD1 4.35Å; V572-I645 HydrophobicContact CB-CG1 4.3Å; V572-I645 HydrophobicContact CG1-CD1 4.06Å; V572-I645 HydrophobicContact CG1-CG1 3.87Å; V572-I645 HydrophobicContact CG1-CG2 3.96Å; V572-F649 HydrophobicContact CG1-CE2 3.7Å; V572-F649 HydrophobicContact CG1-CZ 4.23Å; V572-F649 VanDerWaalsContact O-CE2 3.26Å; V572-F649 WeakPolarHBondContact O-CE2 3.38Å; V572-F649 WeakPolarHBondContact O-CZ 3.47Å
573	A	96	Very high	94.5	Very high	18 Å²	18	35.8 Å²	35.8	15%	0.149	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-45.8	173.8	0	0	0	0	0	112.3	S569 H570 S575 F576 R644 T648	S569-A573 VanDerWaalsContact O-CB 3.28Å; S569-A573 WeakPolarHBondContact O-CB 3.34Å; S569-A573 PolarHBondContact O-N 2.94Å; H570-A573 PolarHBondContact O-N 2.64Å; A573-S575 VanDerWaalsContact C-N 3.33Å; A573-S575 PolarHBondContact O-N 2.9Å; A573-F576 PolarHBondContact O-N 3.41Å; A573-R644 HydrophobicContact CB-CG 3.94Å; A573-T648 HydrophobicContact CB-CG2 3.96Å
574	A	95.9	Very high	94.3	Very high	12 Å²	12	35.3 Å²	35.3	10%	0.099	17%	0.174	C	C	.	.	H	α-helix	trans	-68.7	-29.6	179.8	0	0	0	0	0	113	H570 L571 F576 T577 E578	H570-A574 WeakPolarHBondContact O-CB 3.45Å; H570-A574 PolarHBondContact O-N 3.3Å; L571-A574 PolarHBondContact O-N 3.2Å; A574-F576 PolarHBondContact O-N 2.92Å; A574-F576 VanDerWaalsContact O-N 3.15Å; A574-T577 PolarHBondContact O-N 3.44Å; A574-T577 VanDerWaalsContact O-N 3.13Å; A574-T577 PolarHBondContact O-OG1 2.85Å; A574-E578 WeakPolarHBondContact O-CB 3.31Å; A574-E578 PolarHBondContact O-N 2.99Å
575	S	95.9	Very high	93.9	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-22.7	-179.6	77.7	0	0	0	0	113.1	L571 V572 A573 T577 D579 V584	L571-S575 WeakPolarHBondContact O-CB 3.23Å; L571-S575 PolarHBondContact O-N 3.4Å; V572-S575 PolarHBondContact O-OG 3.38Å; A573-S575 VanDerWaalsContact C-N 3.33Å; A573-S575 PolarHBondContact O-N 2.9Å; S575-T577 PolarHBondContact O-N 3.18Å; S575-D579 VanDerWaalsContact O-CB 3.31Å; S575-D579 WeakPolarHBondContact O-CB 3.29Å; S575-D579 PolarHBondContact O-N 3.48Å; S575-V584 WeakPolarHBondContact OG-CB 3.43Å; S575-V584 VanDerWaalsContact OG-CG1 3.26Å; S575-V584 WeakPolarHBondContact OG-CG1 3.39Å
576	F	93.1	Very high	93.6	Very high	99 Å²	99	46.1 Å²	46.1	43%	0.434	23%	0.232	S	C	.	.	H	α-helix	trans	-59	-30.4	175.9	-171.9	-95.3	0	0	0	112.8	A573 A574 F649	A573-F576 PolarHBondContact O-N 3.41Å; A574-F576 PolarHBondContact O-N 2.92Å; A574-F576 VanDerWaalsContact O-N 3.15Å; F576-F649 HydrophobicContact CB-CZ 4.27Å; F576-F649 AromaticContact CD2-CD1 3.89Å; F576-F649 HydrophobicContact CD2-CD1 3.89Å; F576-F649 AromaticContact CD2-CE1 3.85Å; F576-F649 HydrophobicContact CD2-CE1 3.85Å; F576-F649 HydrophobicContact CD2-CG 4.48Å; F576-F649 HydrophobicContact CD2-CZ 4.4Å; F576-F649 HydrophobicContact CE2-CD1 4.44Å
577	T	93.3	Very high	93.3	Very high	117 Å²	117	46.8 Å²	46.8	72%	0.718	24%	0.237	S	C	*	.	H	α-helix	trans	-113.9	-25.8	178.4	56.3	0	0	0	0	114	A574 S575	A574-T577 PolarHBondContact O-N 3.44Å; A574-T577 VanDerWaalsContact O-N 3.13Å; A574-T577 PolarHBondContact O-OG1 2.85Å; S575-T577 PolarHBondContact O-N 3.18Å
578	E	94.1	Very high	93.2	Very high	36 Å²	36	47.2 Å²	47.2	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-102.8	-21.6	-171.5	-64.9	178	-176.3	0	0	114.6	R346 F350 A574 R580	R346-E578 VanDerWaalsContact CB-OE2 3.27Å; R346-E578 WeakPolarHBondContact CB-OE2 3.41Å; R346-E578 IonicContact CZ-OE1 2.73Å; R346-E578 IonicContact CZ-OE2 2.66Å; R346-E578 IonicContact NE-OE1 3.79Å; R346-E578 PolarHBondContact NE-OE1 3.47Å; R346-E578 IonicContact NE-OE2 2.75Å; R346-E578 PolarHBondContact NE-OE2 3Å; R346-E578 IonicContact NH2-OE1 3.85Å; R346-E578 PolarHBondContact NH2-OE1 2.7Å; R346-E578 IonicContact NH2-OE2 3.83Å; F350-E578 HydrophobicContact CD2-CB 4.1Å; F350-E578 HydrophobicContact CE2-CB 3.83Å; A574-E578 WeakPolarHBondContact O-CB 3.31Å; A574-E578 PolarHBondContact O-N 2.99Å; E578-R580 PolarHBondContact O-N 3.5Å
579	D	93	Very high	92.9	Very high	16 Å²	16	48.9 Å²	48.9	9%	0.086	25%	0.25	C	S	.	.			trans	-85.5	90.2	-178.1	178.8	9	0	0	0	111.8	F350 S575 F581 G582 V583 V584	F350-D579 HydrophobicContact CB-CB 4.39Å; F350-D579 HydrophobicContact CD1-CB 4.41Å; F350-D579 HydrophobicContact CD2-CB 4.27Å; F350-D579 HydrophobicContact CG-CB 4.11Å; S575-D579 VanDerWaalsContact O-CB 3.31Å; S575-D579 WeakPolarHBondContact O-CB 3.29Å; S575-D579 PolarHBondContact O-N 3.48Å; D579-F581 PolarHBondContact O-N 2.97Å; D579-F581 PolarHBondContact OD1-N 3.36Å; D579-G582 PolarHBondContact OD1-N 3.42Å; D579-G582 VanDerWaalsContact OD2-C 3.32Å; D579-V583 PolarHBondContact OD1-N 2.74Å; D579-V583 PolarHBondContact OD2-N 2.97Å; D579-V584 WeakPolarHBondContact OD2-CG2 3.46Å; D579-V584 PolarHBondContact OD2-N 3.28Å
580	R	90.4	Very high	92.6	Very high	220 Å²	220	51.3 Å²	51.3	83%	0.83	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.4	177.6	-61.6	-175.3	-178.7	-174.8	0.6	114.5	E578	E578-R580 PolarHBondContact O-N 3.5Å
581	F	87.9	Confident	92.4	Very high	122 Å²	122	49.4 Å²	49.4	54%	0.535	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-3.4	-172.5	-59.6	-69.2	0	0	0	112.8	L352 D579 V583	L352-F581 HydrophobicContact CD1-CB 4.28Å; L352-F581 HydrophobicContact CD1-CD1 3.51Å; L352-F581 HydrophobicContact CD1-CD2 4.28Å; L352-F581 HydrophobicContact CD1-CE1 3.81Å; L352-F581 HydrophobicContact CD1-CG 3.77Å; L352-F581 HydrophobicContact CD1-CZ 4.31Å; L352-F581 HydrophobicContact CD2-CB 4.34Å; L352-F581 HydrophobicContact CD2-CD2 4.47Å; L352-F581 HydrophobicContact CD2-CG 4.33Å; L352-F581 HydrophobicContact CG-CB 4.35Å; L352-F581 HydrophobicContact CG-CD1 4.05Å; L352-F581 HydrophobicContact CG-CD2 3.88Å; L352-F581 HydrophobicContact CG-CE1 4.29Å; L352-F581 HydrophobicContact CG-CE2 4.14Å; L352-F581 HydrophobicContact CG-CG 3.83Å; L352-F581 HydrophobicContact CG-CZ 4.33Å; D579-F581 PolarHBondContact O-N 2.97Å; D579-F581 PolarHBondContact OD1-N 3.36Å; F581-V583 HydrophobicContact CB-CG2 3.73Å; F581-V583 PolarHBondContact O-N 2.99Å
582	G	89.8	Confident	92.2	Very high	22 Å²	22	49.7 Å²	49.7	23%	0.227	26%	0.263	C	S	.	.			trans	65.9	14.3	-179.2	0	0	0	0	0	114	D579 V584 Q585	D579-G582 PolarHBondContact OD1-N 3.42Å; D579-G582 VanDerWaalsContact OD2-C 3.32Å; G582-V584 VanDerWaalsContact C-N 3.35Å; G582-V584 PolarHBondContact O-N 2.93Å; G582-Q585 WeakPolarHBondContact O-CB 3.44Å; G582-Q585 PolarHBondContact O-N 3.12Å
583	V	90.9	Very high	91.9	Very high	11 Å²	11	52 Å²	52	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-55.2	-47.6	-175.9	161.8	0	0	0	0	111.6	L352 P359 W362 D579 F581 Q585 T586	L352-V583 HydrophobicContact CD2-CG2 3.75Å; P359-V583 HydrophobicContact CB-CB 4.16Å; P359-V583 HydrophobicContact CB-CG1 3.36Å; P359-V583 HydrophobicContact CB-CG2 3.65Å; P359-V583 HydrophobicContact CG-CG1 3.82Å; P359-V583 HydrophobicContact CG-CG2 4.03Å; W362-V583 HydrophobicContact CB-CG1 3.79Å; W362-V583 HydrophobicContact CG-CG1 3.58Å; D579-V583 PolarHBondContact OD1-N 2.74Å; D579-V583 PolarHBondContact OD2-N 2.97Å; F581-V583 HydrophobicContact CB-CG2 3.73Å; F581-V583 PolarHBondContact O-N 2.99Å; V583-Q585 VanDerWaalsContact C-N 3.33Å; V583-Q585 PolarHBondContact O-N 3.4Å; V583-T586 PolarHBondContact O-N 2.88Å; V583-T586 PolarHBondContact O-OG1 3.48Å
584	V	92.2	Very high	91.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-36.1	-176.5	177.7	0	0	0	0	111.2	F350 W362 V572 S575 D579 G582 T586 T587 L588	F350-V584 HydrophobicContact CD1-CG2 3.74Å; F350-V584 HydrophobicContact CE1-CG2 3.62Å; W362-V584 HydrophobicContact CD2-CG2 3.85Å; W362-V584 HydrophobicContact CE3-CG2 3.98Å; W362-V584 HydrophobicContact CH2-CB 4.43Å; W362-V584 HydrophobicContact CH2-CG1 3.83Å; W362-V584 HydrophobicContact CH2-CG2 3.91Å; W362-V584 HydrophobicContact CZ2-CB 4.05Å; W362-V584 HydrophobicContact CZ2-CG1 3.64Å; W362-V584 HydrophobicContact CZ2-CG2 3.78Å; W362-V584 HydrophobicContact CZ3-CG2 4.02Å; V572-V584 HydrophobicContact CB-CG1 4.44Å; V572-V584 HydrophobicContact CG2-CG1 3.97Å; S575-V584 WeakPolarHBondContact OG-CB 3.43Å; S575-V584 VanDerWaalsContact OG-CG1 3.26Å; S575-V584 WeakPolarHBondContact OG-CG1 3.39Å; D579-V584 WeakPolarHBondContact OD2-CG2 3.46Å; D579-V584 PolarHBondContact OD2-N 3.28Å; G582-V584 VanDerWaalsContact C-N 3.35Å; G582-V584 PolarHBondContact O-N 2.93Å; V584-T586 VanDerWaalsContact C-N 3.26Å; V584-T586 PolarHBondContact O-N 3.03Å; V584-T587 CarbonylContact O-C 3.49Å; V584-T587 PolarHBondContact O-N 2.95Å; V584-T587 PolarHBondContact O-OG1 2.9Å; V584-L588 PolarHBondContact O-N 3.36Å
585	Q	88.7	Confident	91.7	Very high	116 Å²	116	51.6 Å²	51.6	54%	0.542	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-37.6	-179.3	-58.5	-177.2	-1.1	0	0	111.6	G582 V583 T587 L588	G582-Q585 WeakPolarHBondContact O-CB 3.44Å; G582-Q585 PolarHBondContact O-N 3.12Å; V583-Q585 VanDerWaalsContact C-N 3.33Å; V583-Q585 PolarHBondContact O-N 3.4Å; Q585-T587 PolarHBondContact O-N 2.88Å; Q585-L588 WeakPolarHBondContact O-CB 3.38Å; Q585-L588 PolarHBondContact O-N 3.38Å
586	T	89.1	Confident	91.6	Very high	112 Å²	112	51.5 Å²	51.5	69%	0.687	27%	0.269	S	S	*	.	H	α-helix	trans	-61.5	-30.1	176.3	71.7	0	0	0	0	113.2	V583 V584	V583-T586 PolarHBondContact O-N 2.88Å; V583-T586 PolarHBondContact O-OG1 3.48Å; V584-T586 VanDerWaalsContact C-N 3.26Å; V584-T586 PolarHBondContact O-N 3.03Å
587	T	90.5	Very high	91.6	Very high	34 Å²	34	49.4 Å²	49.4	21%	0.209	26%	0.264	C	S	.	.	H	α-helix	trans	-98.6	-12.1	-178.6	53.1	0	0	0	0	114.2	W362 V584 Q585 A590 I591	W362-T587 WeakPolarHBondContact CZ2-OG1 3.38Å; W362-T587 PolarHBondContact NE1-OG1 2.95Å; V584-T587 CarbonylContact O-C 3.49Å; V584-T587 PolarHBondContact O-N 2.95Å; V584-T587 PolarHBondContact O-OG1 2.9Å; Q585-T587 PolarHBondContact O-N 2.88Å; T587-A590 PolarHBondContact O-N 2.74Å; T587-A590 VanDerWaalsContact O-N 3.15Å; T587-I591 WeakPolarHBondContact O-CG1 3.29Å; T587-I591 PolarHBondContact O-N 3.34Å; T587-I591 VanDerWaalsContact O-N 3.08Å
588	L	91.7	Very high	91.6	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-53.2	-42.2	-178.2	-177.7	62.3	0	0	0	114.3	V572 V584 Q585 A590 I591 L592 I645 F649 L653 V656	V572-L588 HydrophobicContact CG1-CD1 3.69Å; V584-L588 PolarHBondContact O-N 3.36Å; Q585-L588 WeakPolarHBondContact O-CB 3.38Å; Q585-L588 PolarHBondContact O-N 3.38Å; L588-A590 VanDerWaalsContact C-N 3.35Å; L588-A590 PolarHBondContact O-N 3.07Å; L588-I591 PolarHBondContact O-N 3.14Å; L588-L592 HydrophobicContact CD1-CD1 4.12Å; L588-L592 HydrophobicContact CD1-CG 4.17Å; L588-L592 HydrophobicContact CG-CD1 4.08Å; L588-L592 PolarHBondContact O-N 3.24Å; L588-I645 HydrophobicContact CD1-CG2 4.06Å; L588-F649 HydrophobicContact CD2-CD1 3.96Å; L588-F649 HydrophobicContact CD2-CE1 3.92Å; L588-F649 HydrophobicContact CD2-CG 4.34Å; L588-F649 HydrophobicContact CD2-CZ 4.27Å; L588-L653 HydrophobicContact CD2-CD2 4Å; L588-V656 HydrophobicContact CD2-CG2 4.37Å
589	P	90.8	Very high	91.6	Very high	38 Å²	38	42.4 Å²	42.4	25%	0.247	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-41.6	178.6	-15.2	26.2	0	0	0	112.1	N593 V656	P589-N593 WeakPolarHBondContact O-CB 3.15Å; P589-N593 VanDerWaalsContact O-CG 3.24Å; P589-N593 PolarHBondContact O-N 2.86Å; P589-N593 PolarHBondContact O-ND2 3.04Å; P589-N593 VanDerWaalsContact O-ND2 3.11Å; P589-V656 HydrophobicContact CB-CG1 3.77Å; P589-V656 HydrophobicContact CG-CG1 3.92Å
590	A	90.8	Very high	91.5	Very high	52 Å²	52	42.5 Å²	42.5	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-65.3	-41.9	178	0	0	0	0	0	111.4	T587 L588 N593 T594	T587-A590 PolarHBondContact O-N 2.74Å; T587-A590 VanDerWaalsContact O-N 3.15Å; L588-A590 VanDerWaalsContact C-N 3.35Å; L588-A590 PolarHBondContact O-N 3.07Å; A590-N593 PolarHBondContact O-N 3.2Å; A590-T594 WeakPolarHBondContact O-CG2 3.29Å; A590-T594 PolarHBondContact O-N 3.1Å
591	I	93.6	Very high	91.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-53.6	177.1	-64.8	165.5	0	0	0	110.3	W362 L370 L568 V572 T587 L588 N593 T594 L595	W362-I591 HydrophobicContact CH2-CD1 4.14Å; W362-I591 HydrophobicContact CZ2-CD1 3.75Å; L370-I591 HydrophobicContact CD1-CG1 4.16Å; L370-I591 HydrophobicContact CD2-CB 4.47Å; L370-I591 HydrophobicContact CD2-CG1 4.08Å; L568-I591 HydrophobicContact CD1-CD1 4.12Å; L568-I591 HydrophobicContact CD2-CG1 4.37Å; L568-I591 HydrophobicContact CD2-CG2 3.94Å; L568-I591 HydrophobicContact CG-CG2 4.32Å; V572-I591 HydrophobicContact CG2-CD1 3.79Å; T587-I591 WeakPolarHBondContact O-CG1 3.29Å; T587-I591 PolarHBondContact O-N 3.34Å; T587-I591 VanDerWaalsContact O-N 3.08Å; L588-I591 PolarHBondContact O-N 3.14Å; I591-N593 VanDerWaalsContact C-N 3.34Å; I591-N593 PolarHBondContact O-N 2.93Å; I591-T594 PolarHBondContact O-N 3.33Å; I591-T594 VanDerWaalsContact O-N 3.14Å; I591-T594 PolarHBondContact O-OG1 3.19Å; I591-L595 HydrophobicContact CG2-CD1 4.1Å; I591-L595 HydrophobicContact CG2-CG 4.36Å; I591-L595 WeakPolarHBondContact O-CG 3.22Å; I591-L595 PolarHBondContact O-N 3.43Å
592	L	91.6	Very high	91.8	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-57.7	-44.3	179.3	-72.7	171.1	0	0	0	112.4	L588 T594 L595 L596 I645 L653 V656 L666	L588-L592 HydrophobicContact CD1-CD1 4.12Å; L588-L592 HydrophobicContact CD1-CG 4.17Å; L588-L592 HydrophobicContact CG-CD1 4.08Å; L588-L592 PolarHBondContact O-N 3.24Å; L592-T594 VanDerWaalsContact C-N 3.35Å; L592-T594 PolarHBondContact O-N 2.93Å; L592-L595 PolarHBondContact O-N 3.11Å; L592-L596 WeakPolarHBondContact O-CB 3.39Å; L592-L596 WeakPolarHBondContact O-CG 3.37Å; L592-L596 PolarHBondContact O-N 3.31Å; L592-I645 HydrophobicContact CD2-CG2 3.89Å; L592-L653 HydrophobicContact CD1-CD2 3.88Å; L592-V656 HydrophobicContact CD1-CG1 4.42Å; L592-L666 HydrophobicContact CD2-CD1 4.28Å
593	N	91.6	Very high	91.7	Very high	50 Å²	50	26.6 Å²	26.6	27%	0.267	16%	0.156	S	C	.	.	H	α-helix	trans	-59.7	-42.4	177	-74.6	-30.3	0	0	0	112.1	P589 A590 I591 T597	P589-N593 WeakPolarHBondContact O-CB 3.15Å; P589-N593 VanDerWaalsContact O-CG 3.24Å; P589-N593 PolarHBondContact O-N 2.86Å; P589-N593 PolarHBondContact O-ND2 3.04Å; P589-N593 VanDerWaalsContact O-ND2 3.11Å; A590-N593 PolarHBondContact O-N 3.2Å; I591-N593 VanDerWaalsContact C-N 3.34Å; I591-N593 PolarHBondContact O-N 2.93Å; N593-T597 VanDerWaalsContact O-CB 3.29Å; N593-T597 WeakPolarHBondContact O-CB 3.26Å; N593-T597 PolarHBondContact O-N 3.41Å; N593-T597 VanDerWaalsContact O-N 3.08Å; N593-T597 PolarHBondContact O-OG1 3.42Å
594	T	93.7	Very high	91.6	Very high	18 Å²	18	30.4 Å²	30.4	11%	0.11	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-41	176.2	62	0	0	0	0	113.1	L370 N374 A590 I591 L592 T597 L598	L370-T594 HydrophobicContact CD2-CG2 3.93Å; L370-T594 WeakPolarHBondContact CD2-OG1 3.4Å; N374-T594 WeakPolarHBondContact OD1-CG2 3.44Å; A590-T594 WeakPolarHBondContact O-CG2 3.29Å; A590-T594 PolarHBondContact O-N 3.1Å; I591-T594 PolarHBondContact O-N 3.33Å; I591-T594 VanDerWaalsContact O-N 3.14Å; I591-T594 PolarHBondContact O-OG1 3.19Å; L592-T594 VanDerWaalsContact C-N 3.35Å; L592-T594 PolarHBondContact O-N 2.93Å; T594-T597 PolarHBondContact O-N 3.23Å; T594-L598 VanDerWaalsContact O-CB 3.26Å; T594-L598 WeakPolarHBondContact O-CB 3.35Å; T594-L598 PolarHBondContact O-N 3.29Å
595	L	94.1	Very high	91.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-45	-179.2	-66.5	-175.9	0	0	0	112.2	L373 L565 I591 L592 L598 Q599 L638 I642 I645	L373-L595 HydrophobicContact CD1-CD2 3.92Å; L565-L595 HydrophobicContact CD1-CD2 3.37Å; I591-L595 HydrophobicContact CG2-CD1 4.1Å; I591-L595 HydrophobicContact CG2-CG 4.36Å; I591-L595 WeakPolarHBondContact O-CG 3.22Å; I591-L595 PolarHBondContact O-N 3.43Å; L592-L595 PolarHBondContact O-N 3.11Å; L595-L598 PolarHBondContact O-N 2.88Å; L595-Q599 WeakPolarHBondContact O-CB 3.33Å; L595-Q599 PolarHBondContact O-N 3.3Å; L595-L638 HydrophobicContact CD2-CD1 4.15Å; L595-I642 HydrophobicContact CB-CD1 4.29Å; L595-I642 HydrophobicContact CB-CG1 4.02Å; L595-I642 HydrophobicContact CD1-CG1 4.34Å; L595-I645 HydrophobicContact CD1-CD1 3.7Å
596	L	92.4	Very high	91.2	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-65.6	-40.4	176.6	-69.5	170.6	0	0	0	111.6	L592 Q599 E600 I642 H662 R665 F669	L592-L596 WeakPolarHBondContact O-CB 3.39Å; L592-L596 WeakPolarHBondContact O-CG 3.37Å; L592-L596 PolarHBondContact O-N 3.31Å; L596-Q599 WeakPolarHBondContact O-CB 3.44Å; L596-Q599 PolarHBondContact O-N 3.43Å; L596-E600 PolarHBondContact O-N 3.46Å; L596-I642 HydrophobicContact CD2-CD1 4.45Å; L596-H662 HydrophobicContact CD1-CB 3.94Å; L596-R665 HydrophobicContact CD2-CB 4.07Å; L596-F669 HydrophobicContact CD2-CD2 4.33Å; L596-F669 HydrophobicContact CD2-CE2 4.08Å
597	T	93	Very high	91	Very high	55 Å²	55	28.4 Å²	28.4	34%	0.337	15%	0.152	S	C	.	.	H	α-helix	trans	-68.3	-35.4	177	-51.9	0	0	0	0	112	T377 N593 T594 E600 A601 H662	T377-T597 HydrophobicContact CG2-CG2 4.22Å; N593-T597 VanDerWaalsContact O-CB 3.29Å; N593-T597 WeakPolarHBondContact O-CB 3.26Å; N593-T597 PolarHBondContact O-N 3.41Å; N593-T597 VanDerWaalsContact O-N 3.08Å; N593-T597 PolarHBondContact O-OG1 3.42Å; T594-T597 PolarHBondContact O-N 3.23Å; T597-E600 WeakPolarHBondContact O-CB 3.46Å; T597-A601 PolarHBondContact O-N 3.31Å; T597-H662 PolarHBondContact OG1-NE2 3.14Å
598	L	94.4	Very high	90.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.9	-43.4	172	174.2	62.1	0	0	0	111.4	L373 M376 T377 L380 T594 L595 E600 A601 V602 F634 L638	L373-L598 HydrophobicContact CB-CD2 4.17Å; L373-L598 HydrophobicContact CD2-CD2 3.68Å; L373-L598 HydrophobicContact CG-CD2 4.43Å; M376-L598 HydrophobicContact CB-CD1 4.32Å; M376-L598 HydrophobicContact CG-CD1 4.21Å; T377-L598 WeakPolarHBondContact OG1-CA 3.27Å; T377-L598 WeakPolarHBondContact OG1-CB 3.48Å; T377-L598 WeakPolarHBondContact OG1-CD1 3.44Å; L380-L598 HydrophobicContact CD1-CD1 4.25Å; T594-L598 VanDerWaalsContact O-CB 3.26Å; T594-L598 WeakPolarHBondContact O-CB 3.35Å; T594-L598 PolarHBondContact O-N 3.29Å; L595-L598 PolarHBondContact O-N 2.88Å; L598-E600 VanDerWaalsContact C-N 3.28Å; L598-E600 PolarHBondContact O-N 3.11Å; L598-A601 PolarHBondContact O-N 3.17Å; L598-A601 VanDerWaalsContact O-N 3.16Å; L598-V602 HydrophobicContact CD1-CG2 4.3Å; L598-V602 WeakPolarHBondContact O-CG2 3.48Å; L598-V602 PolarHBondContact O-N 2.85Å; L598-F634 HydrophobicContact CD1-CE1 4.15Å; L598-F634 HydrophobicContact CD1-CZ 3.94Å; L598-F634 HydrophobicContact CD2-CZ 3.8Å; L598-F634 HydrophobicContact CG-CZ 4.21Å; L598-L638 HydrophobicContact CB-CD2 4.47Å; L598-L638 HydrophobicContact CD2-CD1 4Å; L598-L638 HydrophobicContact CD2-CD2 4.12Å; L598-L638 HydrophobicContact CG-CD1 4.43Å; L598-L638 HydrophobicContact CG-CD2 3.81Å
599	Q	93.4	Very high	89.3	Confident	6 Å²	6	33.4 Å²	33.4	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-41.5	176.4	-178.5	-159.4	-6.7	0	0	110.8	L595 L596 A601 V602 D603 L638 I642 E674	L595-Q599 WeakPolarHBondContact O-CB 3.33Å; L595-Q599 PolarHBondContact O-N 3.3Å; L596-Q599 WeakPolarHBondContact O-CB 3.44Å; L596-Q599 PolarHBondContact O-N 3.43Å; Q599-A601 PolarHBondContact O-N 2.97Å; Q599-V602 PolarHBondContact O-N 3.39Å; Q599-D603 PolarHBondContact O-N 3Å; Q599-L638 HydrophobicContact CB-CD2 3.92Å; Q599-L638 HydrophobicContact CB-CG 4.33Å; Q599-I642 HydrophobicContact CB-CD1 4.16Å; Q599-I642 HydrophobicContact CG-CD1 4.44Å; Q599-E674 VanDerWaalsContact NE2-CD 3.34Å; Q599-E674 PolarHBondContact NE2-OE1 3.14Å
600	E	91.1	Very high	88.2	Confident	18 Å²	18	37.1 Å²	37.1	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-55.5	-49.9	172.2	-81.2	-163.7	-161.8	0	0	113.2	L596 T597 L598 V602 D603 K604 R665	L596-E600 PolarHBondContact O-N 3.46Å; T597-E600 WeakPolarHBondContact O-CB 3.46Å; L598-E600 VanDerWaalsContact C-N 3.28Å; L598-E600 PolarHBondContact O-N 3.11Å; E600-V602 VanDerWaalsContact C-N 3.29Å; E600-V602 PolarHBondContact O-N 3.39Å; E600-D603 PolarHBondContact O-N 3.11Å; E600-K604 WeakPolarHBondContact O-CB 3.49Å; E600-K604 WeakPolarHBondContact O-CD 3.47Å; E600-K604 WeakPolarHBondContact O-CG 3.4Å; E600-K604 PolarHBondContact O-N 2.85Å; E600-K604 IonicContact OE2-NZ 3.1Å; E600-K604 PolarHBondContact OE2-NZ 3.32Å; E600-R665 VanDerWaalsContact CD-CZ 3.49Å; E600-R665 VanDerWaalsContact CG-NH2 3.33Å; E600-R665 IonicContact OE1-CZ 2.95Å; E600-R665 IonicContact OE1-NE 3.69Å; E600-R665 PolarHBondContact OE1-NE 3.28Å; E600-R665 IonicContact OE1-NH2 2.65Å; E600-R665 PolarHBondContact OE1-NH2 2.95Å; E600-R665 IonicContact OE2-NH2 2.74Å
601	A	91.8	Very high	87.1	Confident	3 Å²	3	34.6 Å²	34.6	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-39.2	178.4	0	0	0	0	0	111.4	T377 L380 V381 T597 L598 Q599 Y605	T377-A601 HydrophobicContact CG2-CB 4.08Å; L380-A601 HydrophobicContact CB-CB 4.03Å; L380-A601 HydrophobicContact CD1-CB 4.15Å; V381-A601 HydrophobicContact CG2-CB 4.35Å; T597-A601 PolarHBondContact O-N 3.31Å; L598-A601 PolarHBondContact O-N 3.17Å; L598-A601 VanDerWaalsContact O-N 3.16Å; Q599-A601 PolarHBondContact O-N 2.97Å; A601-Y605 VanDerWaalsContact O-CB 3.25Å; A601-Y605 WeakPolarHBondContact O-CB 3.31Å; A601-Y605 PolarHBondContact O-N 2.83Å
602	V	91.8	Very high	85.8	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-66.3	-48.3	176.4	172.8	0	0	0	0	111.8	L380 L598 Q599 E600 K604 Y605 F606 F634 R635 L638	L380-V602 HydrophobicContact CD1-CG2 3.68Å; L598-V602 HydrophobicContact CD1-CG2 4.3Å; L598-V602 WeakPolarHBondContact O-CG2 3.48Å; L598-V602 PolarHBondContact O-N 2.85Å; Q599-V602 PolarHBondContact O-N 3.39Å; E600-V602 VanDerWaalsContact C-N 3.29Å; E600-V602 PolarHBondContact O-N 3.39Å; V602-K604 PolarHBondContact O-N 3.29Å; V602-Y605 WeakPolarHBondContact O-CB 3.4Å; V602-Y605 PolarHBondContact O-N 2.88Å; V602-F606 HydrophobicContact CG1-CD2 3.76Å; V602-F606 HydrophobicContact CG1-CE2 3.9Å; V602-F606 WeakPolarHBondContact O-CD2 3.28Å; V602-F606 PolarHBondContact O-N 3.18Å; V602-F634 HydrophobicContact CG2-CD1 4.07Å; V602-F634 HydrophobicContact CG2-CE1 3.62Å; V602-R635 HydrophobicContact CG1-CB 3.94Å; V602-R635 HydrophobicContact CG1-CG 3.75Å; V602-L638 HydrophobicContact CB-CD2 4.44Å; V602-L638 HydrophobicContact CG2-CD2 4.06Å
603	D	89.6	Confident	84.9	Confident	27 Å²	27	40.7 Å²	40.7	14%	0.144	22%	0.219	C	C	.	.	H	α-helix	trans	-69.1	-35.1	179.9	-74.1	-27.9	0	0	0	112.4	Q599 E600 Y605 K607 R635	Q599-D603 PolarHBondContact O-N 3Å; E600-D603 PolarHBondContact O-N 3.11Å; D603-Y605 VanDerWaalsContact C-N 3.33Å; D603-K607 WeakPolarHBondContact O-CG 3.45Å; D603-K607 PolarHBondContact O-N 3.41Å; D603-R635 IonicContact OD1-CZ 2.8Å; D603-R635 IonicContact OD1-NE 2.68Å; D603-R635 PolarHBondContact OD1-NE 2.7Å; D603-R635 IonicContact OD1-NH2 2.69Å; D603-R635 PolarHBondContact OD1-NH2 2.95Å
604	K	88.2	Confident	84	Confident	90 Å²	90	46.3 Å²	46.3	39%	0.391	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-41.5	169.7	-74.3	165	178.8	162.1	0	110.7	E600 V602 K607	E600-K604 WeakPolarHBondContact O-CB 3.49Å; E600-K604 WeakPolarHBondContact O-CD 3.47Å; E600-K604 WeakPolarHBondContact O-CG 3.4Å; E600-K604 PolarHBondContact O-N 2.85Å; E600-K604 IonicContact OE2-NZ 3.1Å; E600-K604 PolarHBondContact OE2-NZ 3.32Å; V602-K604 PolarHBondContact O-N 3.29Å; K604-K607 PolarHBondContact O-N 3Å
605	Y	86.3	Confident	82.9	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-46	175.6	-175.9	-84.4	0	0	0	113.2	L380 Y383 I551 F555 A601 V602 D603 K607 L608 A611	L380-Y605 HydrophobicContact CD2-CD2 3.75Å; L380-Y605 HydrophobicContact CD2-CE2 4.18Å; L380-Y605 HydrophobicContact CD2-CG 4.09Å; Y383-Y605 HydrophobicContact CD1-CD2 4.14Å; Y383-Y605 AromaticContact CD1-CE2 3.52Å; Y383-Y605 HydrophobicContact CD1-CE2 3.52Å; Y383-Y605 AromaticContact CE1-CE2 3.71Å; Y383-Y605 HydrophobicContact CE1-CE2 3.71Å; Y383-Y605 HydrophobicContact CG-CE2 4.3Å; I551-Y605 VanDerWaalsContact CA-OH 3.32Å; I551-Y605 WeakPolarHBondContact CA-OH 3.46Å; I551-Y605 WeakPolarHBondContact CB-OH 3.45Å; I551-Y605 WeakPolarHBondContact CG1-OH 3.17Å; I551-Y605 HydrophobicContact CG2-CE1 4.44Å; I551-Y605 WeakPolarHBondContact CG2-OH 3.42Å; F555-Y605 HydrophobicContact CD2-CE1 4.48Å; F555-Y605 AromaticContact CE2-CD1 4Å; F555-Y605 HydrophobicContact CE2-CD1 4Å; F555-Y605 AromaticContact CE2-CE1 3.51Å; F555-Y605 HydrophobicContact CE2-CE1 3.51Å; F555-Y605 HydrophobicContact CE2-CE2 4.15Å; F555-Y605 AromaticContact CE2-CZ 3.58Å; F555-Y605 HydrophobicContact CZ-CD1 4.18Å; F555-Y605 HydrophobicContact CZ-CE1 4.14Å; A601-Y605 VanDerWaalsContact O-CB 3.25Å; A601-Y605 WeakPolarHBondContact O-CB 3.31Å; A601-Y605 PolarHBondContact O-N 2.83Å; V602-Y605 WeakPolarHBondContact O-CB 3.4Å; V602-Y605 PolarHBondContact O-N 2.88Å; D603-Y605 VanDerWaalsContact C-N 3.33Å; Y605-K607 PolarHBondContact O-N 3.24Å; Y605-K607 VanDerWaalsContact O-N 3.14Å; Y605-L608 HydrophobicContact CD2-CD1 4.17Å; Y605-L608 HydrophobicContact CE2-CD1 4.48Å; Y605-L608 VanDerWaalsContact O-CB 3.29Å; Y605-L608 WeakPolarHBondContact O-CB 3.29Å; Y605-L608 WeakPolarHBondContact O-CG 3.44Å; Y605-L608 PolarHBondContact O-N 3.24Å; Y605-A611 HydrophobicContact CD1-CB 4.05Å; Y605-A611 HydrophobicContact CE1-CB 3.85Å; Y605-A611 VanDerWaalsContact O-CB 3.32Å; Y605-A611 WeakPolarHBondContact O-CB 3.44Å
606	F	85.8	Confident	81.6	Confident	13 Å²	13	52 Å²	52	6%	0.057	28%	0.278	C	S	.	.	H	α-helix	trans	-68.3	-10.9	-178.1	-90.1	-83.2	0	0	0	114.4	V602 L608 A611 R631 F632 R635	V602-F606 HydrophobicContact CG1-CD2 3.76Å; V602-F606 HydrophobicContact CG1-CE2 3.9Å; V602-F606 WeakPolarHBondContact O-CD2 3.28Å; V602-F606 PolarHBondContact O-N 3.18Å; F606-L608 VanDerWaalsContact C-N 3.31Å; F606-A611 WeakPolarHBondContact CD1-O 3.19Å; F606-A611 WeakPolarHBondContact CE1-O 3.3Å; F606-R631 HydrophobicContact CZ-CB 3.98Å; F606-R631 HydrophobicContact CZ-CG 4.17Å; F606-R631 WeakPolarHBondContact CZ-O 3.22Å; F606-F632 AromaticContact CE1-CD1 3.88Å; F606-F632 HydrophobicContact CE1-CD1 3.88Å; F606-F632 AromaticContact CE1-CE1 3.67Å; F606-F632 HydrophobicContact CE1-CE1 3.67Å; F606-F632 HydrophobicContact CE1-CZ 4.37Å; F606-F632 HydrophobicContact CZ-CD1 4.22Å; F606-F632 HydrophobicContact CZ-CE1 4.41Å; F606-R635 HydrophobicContact CE2-CB 3.97Å; F606-R635 HydrophobicContact CE2-CG 4.37Å; F606-R635 HydrophobicContact CZ-CB 4.42Å
607	K	85.2	Confident	80	Confident	172 Å²	172	62.7 Å²	62.7	75%	0.748	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.1	169.3	-69.9	168.6	-175	-178.6	0	113.5	D603 K604 Y605	D603-K607 WeakPolarHBondContact O-CG 3.45Å; D603-K607 PolarHBondContact O-N 3.41Å; K604-K607 PolarHBondContact O-N 3Å; Y605-K607 PolarHBondContact O-N 3.24Å; Y605-K607 VanDerWaalsContact O-N 3.14Å
608	L	78.2	Confident	78.5	Confident	44 Å²	44	65.2 Å²	65.2	23%	0.23	33%	0.329	C	S	.	.	S	Bend	trans	-71.8	146.5	177.9	-65.9	169.1	0	0	0	111.7	Y383 Y605 F606 H610 A611	Y383-L608 HydrophobicContact CE1-CD1 4.37Å; Y605-L608 HydrophobicContact CD2-CD1 4.17Å; Y605-L608 HydrophobicContact CE2-CD1 4.48Å; Y605-L608 VanDerWaalsContact O-CB 3.29Å; Y605-L608 WeakPolarHBondContact O-CB 3.29Å; Y605-L608 WeakPolarHBondContact O-CG 3.44Å; Y605-L608 PolarHBondContact O-N 3.24Å; F606-L608 VanDerWaalsContact C-N 3.31Å; L608-H610 PolarHBondContact O-N 3.03Å; L608-A611 HydrophobicContact CB-CB 4.01Å; L608-A611 VanDerWaalsContact O-CB 3.27Å; L608-A611 WeakPolarHBondContact O-CB 3.46Å; L608-A611 PolarHBondContact O-N 3.1Å; L608-A611 VanDerWaalsContact O-N 3.13Å
609	P	67.2	Low	76.6	Confident	103 Å²	103	70.5 Å²	70.5	67%	0.669	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	140.6	171.1	-25.4	34.7	0	0	0	111.9	A611	P609-A611 PolarHBondContact O-N 3.22Å
610	H	68.9	Low	75.1	Confident	116 Å²	116	73 Å²	73	54%	0.537	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	-7.4	-175.8	-44.3	-73.4	0	0	0	116.3	I551 L608 S612 S613 R631	I551-H610 HydrophobicContact CD1-CB 4.07Å; L608-H610 PolarHBondContact O-N 3.03Å; H610-S612 VanDerWaalsContact C-N 3.27Å; H610-S612 PolarHBondContact O-N 3.5Å; H610-S613 PolarHBondContact O-OG 2.92Å; H610-R631 PolarHBondContact O-NH1 2.71Å
611	A	68.4	Low	74.3	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-24.2	175.1	0	0	0	0	0	113.1	Y605 F606 L608 P609 R631	Y605-A611 HydrophobicContact CD1-CB 4.05Å; Y605-A611 HydrophobicContact CE1-CB 3.85Å; Y605-A611 VanDerWaalsContact O-CB 3.32Å; Y605-A611 WeakPolarHBondContact O-CB 3.44Å; F606-A611 WeakPolarHBondContact CD1-O 3.19Å; F606-A611 WeakPolarHBondContact CE1-O 3.3Å; L608-A611 HydrophobicContact CB-CB 4.01Å; L608-A611 VanDerWaalsContact O-CB 3.27Å; L608-A611 WeakPolarHBondContact O-CB 3.46Å; L608-A611 PolarHBondContact O-N 3.1Å; L608-A611 VanDerWaalsContact O-N 3.13Å; P609-A611 PolarHBondContact O-N 3.22Å; A611-R631 VanDerWaalsContact CA-NH1 3.32Å; A611-R631 PolarHBondContact O-NH1 3.46Å
612	S	65.8	Low	73.7	Confident	77 Å²	77	75.1 Å²	75.1	54%	0.538	41%	0.409	S	S	.	.	S	Bend	trans	-95.6	-18	-178.2	-165.3	0	0	0	0	114.8	H610 K614 F632	H610-S612 VanDerWaalsContact C-N 3.27Å; H610-S612 PolarHBondContact O-N 3.5Å; S612-K614 PolarHBondContact O-N 3.1Å; S612-F632 WeakPolarHBondContact O-CZ 3.39Å
613	S	72.7	Confident	73.2	Confident	56 Å²	56	75.8 Å²	75.8	39%	0.392	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-68.4	123.4	-177.2	40.9	0	0	0	0	112.2	H610 R631	H610-S613 PolarHBondContact O-OG 2.92Å; S613-R631 PolarHBondContact O-NH2 3.37Å
614	K	71.8	Confident	72.7	Confident	168 Å²	168	77.2 Å²	77.2	73%	0.73	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-75.1	132.5	175.3	-72	176.9	-179.2	172	0	110.1	S612 F632	S612-K614 PolarHBondContact O-N 3.1Å; K614-F632 HydrophobicContact CB-CE2 4.37Å; K614-F632 HydrophobicContact CB-CZ 4.37Å; K614-F632 HydrophobicContact CG-CD2 4.35Å; K614-F632 HydrophobicContact CG-CE1 3.97Å; K614-F632 HydrophobicContact CG-CE2 3.81Å; K614-F632 HydrophobicContact CG-CZ 3.61Å
615	P	70.9	Confident	72.3	Confident	24 Å²	24	74.7 Å²	74.7	16%	0.156	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-67.1	149.9	174.4	29.2	-35.2	0	0	0	110.6	R617 K628 T629	P615-R617 PolarHBondContact O-N 3.18Å; P615-K628 HydrophobicContact CB-CB 4.43Å; P615-K628 HydrophobicContact CG-CB 4.01Å; P615-T629 HydrophobicContact CG-CG2 4.09Å
616	P	66.1	Low	72	Confident	117 Å²	117	76.9 Å²	76.9	76%	0.76	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-61.6	132.2	176.1	25.5	-33.7	0	0	0	110.6	I618	P616-I618 PolarHBondContact O-N 3.02Å
617	R	59.8	Low	71.8	Confident	226 Å²	226	77.3 Å²	77.3	85%	0.853	43%	0.429	S	S	*	.			trans	-77.8	107.6	176.8	-72.5	-179.2	176.3	167	-3.4	109.9	P615 S619	P615-R617 PolarHBondContact O-N 3.18Å; R617-S619 PolarHBondContact O-N 3.41Å
618	I	61.2	Low	71.7	Confident	108 Å²	108	72 Å²	72	55%	0.554	41%	0.406	S	S	*	.			trans	-86.5	84.8	169.4	-54.8	173.9	0	0	0	107.8	P616	P616-I618 PolarHBondContact O-N 3.02Å
619	S	55	Low	72.1	Confident	110 Å²	110	72.8 Å²	72.8	77%	0.769	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	133.2	174.9	-65.1	0	0	0	0	110.6	R617	R617-S619 PolarHBondContact O-N 3.41Å
620	G	61.2	Low	73.1	Confident	59 Å²	59	68.2 Å²	68.2	61%	0.608	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	22.2	177.1	0	0	0	0	0	115.5	L211	L211-G620 WeakPolarHBondContact CD1-O 3.35Å
621	S	74.8	Confident	74	Confident	49 Å²	49	62.9 Å²	62.9	34%	0.343	36%	0.358	S	S	.	.			trans	-77.3	140.6	163.1	170.1	0	0	0	0	110.8	V623	S621-V623 WeakPolarHBondContact CB-O 3.48Å; S621-V623 PolarHBondContact OG-N 3.45Å; S621-V623 PolarHBondContact OG-O 3.4Å
622	L	79.6	Confident	75.1	Confident	17 Å²	17	65.1 Å²	65.1	9%	0.089	37%	0.367	C	S	.	.	S	Bend	trans	-69.9	-36.8	172.8	-170.3	72.8	0	0	0	111.3	L211 L212 H215 Y285 W288 I289	L211-L622 HydrophobicContact CD2-CB 4.4Å; L211-L622 HydrophobicContact CD2-CD1 4.24Å; L211-L622 HydrophobicContact CG-CB 4.35Å; L211-L622 HydrophobicContact CG-CD1 4.05Å; L212-L622 HydrophobicContact CB-CD1 4.45Å; L212-L622 HydrophobicContact CD1-CD1 4.13Å; L212-L622 HydrophobicContact CD1-CD2 3.69Å; H215-L622 HydrophobicContact CB-CB 4.44Å; H215-L622 HydrophobicContact CB-CD2 4.03Å; Y285-L622 HydrophobicContact CD1-CD2 4.41Å; Y285-L622 HydrophobicContact CG-CD2 4.38Å; W288-L622 HydrophobicContact CZ3-CD2 4.13Å; W288-L622 HydrophobicContact CZ3-CG 4.08Å; I289-L622 HydrophobicContact CD1-CD1 4.05Å
623	V	81.3	Confident	76.2	Confident	15 Å²	15	63.4 Å²	63.4	9%	0.091	36%	0.358	C	S	.	.	S	Bend	trans	-77.2	129.8	173.3	-177	0	0	0	0	109.5	N187 M189 S621	N187-V623 HydrophobicContact CB-CG1 4.34Å; N187-V623 HydrophobicContact CB-CG2 4.34Å; N187-V623 WeakPolarHBondContact O-CG1 3.36Å; M189-V623 HydrophobicContact CG-CG2 3.96Å; M189-V623 HydrophobicContact SD-CG2 3.89Å; S621-V623 WeakPolarHBondContact CB-O 3.48Å; S621-V623 PolarHBondContact OG-N 3.45Å; S621-V623 PolarHBondContact OG-O 3.4Å
624	D	78.4	Confident	77.2	Confident	56 Å²	56	60.8 Å²	60.8	30%	0.299	34%	0.34	S	S	.	.			trans	-78.5	132.5	-178.1	-160.9	-37.5	0	0	0	111.2	P193 S626	P193-D624 HydrophobicContact CB-CB 4.24Å; P193-D624 VanDerWaalsContact CB-OD2 3.31Å; P193-D624 WeakPolarHBondContact CB-OD2 3.33Å; P193-D624 HydrophobicContact CG-CB 3.68Å; P193-D624 WeakPolarHBondContact CG-OD2 3.42Å; D624-S626 WeakPolarHBondContact OD1-CB 3.28Å; D624-S626 PolarHBondContact OD1-N 3.41Å; D624-S626 PolarHBondContact OD1-OG 3.24Å
625	T	80.7	Confident	78.2	Confident	37 Å²	37	56.5 Å²	56.5	23%	0.227	32%	0.319	C	S	.	.			trans	-122	12.8	-179.7	55.6	0	0	0	0	113.3	Y627 K628	T625-Y627 PolarHBondContact O-N 3.29Å; T625-Y627 VanDerWaalsContact O-N 3.14Å; T625-K628 HydrophobicContact CG2-CD 4.43Å; T625-K628 WeakPolarHBondContact O-CB 3.47Å; T625-K628 WeakPolarHBondContact O-CG 3.27Å; T625-K628 PolarHBondContact O-N 3.41Å
626	S	79.6	Confident	79.3	Confident	47 Å²	47	57.9 Å²	57.9	33%	0.329	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-48.7	-38.3	175.8	49.5	0	0	0	0	113.4	D624 K628 T629	D624-S626 WeakPolarHBondContact OD1-CB 3.28Å; D624-S626 PolarHBondContact OD1-N 3.41Å; D624-S626 PolarHBondContact OD1-OG 3.24Å; S626-K628 PolarHBondContact O-N 3.16Å; S626-K628 VanDerWaalsContact O-N 3.09Å; S626-T629 PolarHBondContact O-N 2.84Å; S626-T629 PolarHBondContact O-OG1 3.47Å
627	Y	81.6	Confident	80.6	Confident	23 Å²	23	53.2 Å²	53.2	9%	0.09	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-53.5	-31.9	177.5	70.2	-94.8	0	0	0	113.8	P96 I98 Y191 T625 T629 L630	P96-Y627 HydrophobicContact CB-CD1 4.43Å; P96-Y627 HydrophobicContact CB-CD2 4.38Å; P96-Y627 HydrophobicContact CB-CG 4.28Å; P96-Y627 HydrophobicContact CG-CD1 4.43Å; P96-Y627 HydrophobicContact CG-CD2 4.01Å; P96-Y627 HydrophobicContact CG-CG 3.87Å; I98-Y627 HydrophobicContact CD1-CD2 4.07Å; I98-Y627 HydrophobicContact CD1-CE2 4.15Å; I98-Y627 HydrophobicContact CG1-CE2 4.38Å; Y191-Y627 AromaticContact CD1-CD1 3.93Å; Y191-Y627 HydrophobicContact CD1-CD1 3.93Å; Y191-Y627 AromaticContact CE1-CD1 3.84Å; Y191-Y627 HydrophobicContact CE1-CD1 3.84Å; Y191-Y627 HydrophobicContact CE1-CG 4.39Å; T625-Y627 PolarHBondContact O-N 3.29Å; T625-Y627 VanDerWaalsContact O-N 3.14Å; Y627-T629 PolarHBondContact O-N 3.45Å; Y627-L630 WeakPolarHBondContact O-CB 3.49Å; Y627-L630 PolarHBondContact O-N 2.96Å
628	K	83.2	Confident	82.4	Confident	61 Å²	61	42.6 Å²	42.6	27%	0.265	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-65.2	-19.4	177.4	-57	-176.5	-176.8	175.5	0	112.9	P615 T625 S626	P615-K628 HydrophobicContact CB-CB 4.43Å; P615-K628 HydrophobicContact CG-CB 4.01Å; T625-K628 HydrophobicContact CG2-CD 4.43Å; T625-K628 WeakPolarHBondContact O-CB 3.47Å; T625-K628 WeakPolarHBondContact O-CG 3.27Å; T625-K628 PolarHBondContact O-N 3.41Å; S626-K628 PolarHBondContact O-N 3.16Å; S626-K628 VanDerWaalsContact O-N 3.09Å
629	T	85.9	Confident	83.9	Confident	59 Å²	59	39.9 Å²	39.9	36%	0.362	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-103	-5	-179.5	62.8	0	0	0	0	114.3	P615 S626 Y627 R631 F632 A633	P615-T629 HydrophobicContact CG-CG2 4.09Å; S626-T629 PolarHBondContact O-N 2.84Å; S626-T629 PolarHBondContact O-OG1 3.47Å; Y627-T629 PolarHBondContact O-N 3.45Å; T629-R631 VanDerWaalsContact C-N 3.28Å; T629-R631 PolarHBondContact O-N 3.42Å; T629-R631 VanDerWaalsContact O-N 3.17Å; T629-F632 PolarHBondContact O-N 3.48Å; T629-A633 PolarHBondContact O-N 2.83Å
630	L	87.9	Confident	85.8	Confident	8 Å²	8	38 Å²	38	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-54.9	-37.1	-175.8	-79.2	170.8	0	0	0	113.9	F555 A558 Q559 I562 Y627 F632 A633 F634	F555-L630 WeakPolarHBondContact O-CD1 3.42Å; A558-L630 HydrophobicContact CB-CB 4.28Å; Q559-L630 HydrophobicContact CB-CD2 4.11Å; Q559-L630 VanDerWaalsContact OE1-CD2 3.25Å; I562-L630 HydrophobicContact CD1-CD2 4.02Å; Y627-L630 WeakPolarHBondContact O-CB 3.49Å; Y627-L630 PolarHBondContact O-N 2.96Å; L630-F632 PolarHBondContact O-N 3.08Å; L630-A633 PolarHBondContact O-N 3.22Å; L630-F634 WeakPolarHBondContact O-CB 3.35Å; L630-F634 PolarHBondContact O-N 3.42Å
631	R	88.9	Confident	87.4	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.015	20%	0.201	C	C	.	.	H	α-helix	trans	-55.2	-38.6	175.9	61.7	173	159.9	175.6	-15.5	113.3	E548 F555 F606 H610 A611 S613 T629 R635	E548-R631 IonicContact OE1-CZ 3.01Å; E548-R631 IonicContact OE1-NH2 3.77Å; E548-R631 PolarHBondContact OE1-NH2 3.39Å; E548-R631 IonicContact OE2-CZ 2.83Å; E548-R631 IonicContact OE2-NH1 3.76Å; E548-R631 IonicContact OE2-NH2 2.7Å; E548-R631 PolarHBondContact OE2-NH2 3.44Å; F555-R631 HydrophobicContact CB-CB 4.27Å; F555-R631 HydrophobicContact CD1-CB 3.89Å; F555-R631 HydrophobicContact CD2-CB 3.89Å; F555-R631 HydrophobicContact CE1-CB 4.15Å; F555-R631 HydrophobicContact CE2-CB 4.16Å; F555-R631 HydrophobicContact CG-CB 3.74Å; F555-R631 HydrophobicContact CZ-CB 4.27Å; F606-R631 HydrophobicContact CZ-CB 3.98Å; F606-R631 HydrophobicContact CZ-CG 4.17Å; F606-R631 WeakPolarHBondContact CZ-O 3.22Å; H610-R631 PolarHBondContact O-NH1 2.71Å; A611-R631 VanDerWaalsContact CA-NH1 3.32Å; A611-R631 PolarHBondContact O-NH1 3.46Å; S613-R631 PolarHBondContact O-NH2 3.37Å; T629-R631 VanDerWaalsContact C-N 3.28Å; T629-R631 PolarHBondContact O-N 3.42Å; T629-R631 VanDerWaalsContact O-N 3.17Å; R631-R635 PolarHBondContact O-N 3.07Å
632	F	90	Very high	88.3	Confident	46 Å²	46	32.9 Å²	32.9	20%	0.202	19%	0.185	C	C	.	.	H	α-helix	trans	-79	-39.1	180	-61.5	-75.4	0	0	0	111.4	F606 S612 K614 T629 L630 R635 A636	F606-F632 AromaticContact CE1-CD1 3.88Å; F606-F632 HydrophobicContact CE1-CD1 3.88Å; F606-F632 AromaticContact CE1-CE1 3.67Å; F606-F632 HydrophobicContact CE1-CE1 3.67Å; F606-F632 HydrophobicContact CE1-CZ 4.37Å; F606-F632 HydrophobicContact CZ-CD1 4.22Å; F606-F632 HydrophobicContact CZ-CE1 4.41Å; S612-F632 WeakPolarHBondContact O-CZ 3.39Å; K614-F632 HydrophobicContact CB-CE2 4.37Å; K614-F632 HydrophobicContact CB-CZ 4.37Å; K614-F632 HydrophobicContact CG-CD2 4.35Å; K614-F632 HydrophobicContact CG-CE1 3.97Å; K614-F632 HydrophobicContact CG-CE2 3.81Å; K614-F632 HydrophobicContact CG-CZ 3.61Å; T629-F632 PolarHBondContact O-N 3.48Å; L630-F632 PolarHBondContact O-N 3.08Å; F632-R635 PolarHBondContact O-N 3.15Å; F632-A636 WeakPolarHBondContact O-CB 3.39Å; F632-A636 PolarHBondContact O-N 3.04Å
633	A	90.3	Very high	89.1	Confident	42 Å²	42	34.3 Å²	34.3	35%	0.347	19%	0.19	S	C	.	.	H	α-helix	trans	-60.7	-45.4	174.3	0	0	0	0	0	111.1	I562 T629 L630 A636 S637	I562-A633 HydrophobicContact CD1-CB 3.89Å; T629-A633 PolarHBondContact O-N 2.83Å; L630-A633 PolarHBondContact O-N 3.22Å; A633-A636 PolarHBondContact O-N 3.24Å; A633-S637 PolarHBondContact O-N 2.83Å
634	F	93.5	Very high	89.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-46.4	177.5	-177.8	-112.8	0	0	0	113.1	M376 F555 H561 I562 L565 L598 V602 L630 A636 S637 L638	M376-F634 HydrophobicContact CE-CE1 4.21Å; M376-F634 HydrophobicContact CG-CE1 4.08Å; M376-F634 HydrophobicContact CG-CZ 3.82Å; F555-F634 HydrophobicContact CD1-CD1 4.36Å; F555-F634 AromaticContact CE1-CD1 3.8Å; F555-F634 HydrophobicContact CE1-CD1 3.8Å; F555-F634 HydrophobicContact CE1-CE1 4.38Å; H561-F634 HydrophobicContact CB-CD2 4.2Å; H561-F634 HydrophobicContact CB-CE2 3.57Å; H561-F634 HydrophobicContact CB-CZ 4.27Å; I562-F634 HydrophobicContact CD1-CB 4.2Å; I562-F634 HydrophobicContact CG1-CB 4.03Å; I562-F634 HydrophobicContact CG1-CD2 3.82Å; I562-F634 HydrophobicContact CG1-CG 4.44Å; L565-F634 HydrophobicContact CD2-CD2 4.38Å; L565-F634 HydrophobicContact CD2-CE2 4.11Å; L598-F634 HydrophobicContact CD1-CE1 4.15Å; L598-F634 HydrophobicContact CD1-CZ 3.94Å; L598-F634 HydrophobicContact CD2-CZ 3.8Å; L598-F634 HydrophobicContact CG-CZ 4.21Å; V602-F634 HydrophobicContact CG2-CD1 4.07Å; V602-F634 HydrophobicContact CG2-CE1 3.62Å; L630-F634 WeakPolarHBondContact O-CB 3.35Å; L630-F634 PolarHBondContact O-N 3.42Å; F634-A636 VanDerWaalsContact C-N 3.32Å; F634-A636 PolarHBondContact O-N 2.97Å; F634-S637 PolarHBondContact O-N 3.2Å; F634-L638 WeakPolarHBondContact O-CB 3.3Å; F634-L638 PolarHBondContact O-N 2.94Å
635	R	93.3	Very high	90.4	Very high	79 Å²	79	33 Å²	33	30%	0.298	18%	0.179	S	C	.	.	H	α-helix	trans	-62	-39.5	175.8	-171.9	176.4	-170.4	-158.1	-4.6	112.3	V602 D603 F606 R631 F632 K639	V602-R635 HydrophobicContact CG1-CB 3.94Å; V602-R635 HydrophobicContact CG1-CG 3.75Å; D603-R635 IonicContact OD1-CZ 2.8Å; D603-R635 IonicContact OD1-NE 2.68Å; D603-R635 PolarHBondContact OD1-NE 2.7Å; D603-R635 IonicContact OD1-NH2 2.69Å; D603-R635 PolarHBondContact OD1-NH2 2.95Å; F606-R635 HydrophobicContact CE2-CB 3.97Å; F606-R635 HydrophobicContact CE2-CG 4.37Å; F606-R635 HydrophobicContact CZ-CB 4.42Å; R631-R635 PolarHBondContact O-N 3.07Å; F632-R635 PolarHBondContact O-N 3.15Å; R635-K639 PolarHBondContact O-N 2.91Å
636	A	93	Very high	91	Very high	53 Å²	53	31.4 Å²	31.4	44%	0.438	17%	0.169	S	C	.	.	H	α-helix	trans	-65.9	-51.4	177.1	0	0	0	0	0	111.5	F632 A633 F634 L638 K639 T640	F632-A636 WeakPolarHBondContact O-CB 3.39Å; F632-A636 PolarHBondContact O-N 3.04Å; A633-A636 PolarHBondContact O-N 3.24Å; F634-A636 VanDerWaalsContact C-N 3.32Å; F634-A636 PolarHBondContact O-N 2.97Å; A636-L638 PolarHBondContact O-N 3.17Å; A636-K639 PolarHBondContact O-N 2.85Å; A636-T640 WeakPolarHBondContact O-CB 3.06Å; A636-T640 PolarHBondContact O-N 3.2Å; A636-T640 PolarHBondContact O-OG1 2.04Å
637	S	94.4	Very high	91.6	Very high	18 Å²	18	33.2 Å²	33.2	13%	0.126	18%	0.178	C	C	.	.	H	α-helix	trans	-58.1	-34.3	175.5	-79.8	0	0	0	0	113	E566 A633 F634 T640 A641	E566-S637 WeakPolarHBondContact OE1-CB 3.49Å; E566-S637 PolarHBondContact OE1-OG 2.74Å; A633-S637 PolarHBondContact O-N 2.83Å; F634-S637 PolarHBondContact O-N 3.2Å; S637-T640 PolarHBondContact O-N 2.98Å; S637-A641 WeakPolarHBondContact O-CB 3.39Å; S637-A641 PolarHBondContact O-N 3.31Å
638	L	95.8	Very high	92.1	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-68.1	-47.2	176.5	-175.8	57.7	0	0	0	113.2	L565 L595 L598 Q599 V602 F634 A636 T640 A641 I642	L565-L638 HydrophobicContact CD1-CD1 3.82Å; L565-L638 HydrophobicContact CD2-CB 3.92Å; L565-L638 HydrophobicContact CD2-CD1 4.03Å; L595-L638 HydrophobicContact CD2-CD1 4.15Å; L598-L638 HydrophobicContact CB-CD2 4.47Å; L598-L638 HydrophobicContact CD2-CD1 4Å; L598-L638 HydrophobicContact CD2-CD2 4.12Å; L598-L638 HydrophobicContact CG-CD1 4.43Å; L598-L638 HydrophobicContact CG-CD2 3.81Å; Q599-L638 HydrophobicContact CB-CD2 3.92Å; Q599-L638 HydrophobicContact CB-CG 4.33Å; V602-L638 HydrophobicContact CB-CD2 4.44Å; V602-L638 HydrophobicContact CG2-CD2 4.06Å; F634-L638 WeakPolarHBondContact O-CB 3.3Å; F634-L638 PolarHBondContact O-N 2.94Å; A636-L638 PolarHBondContact O-N 3.17Å; L638-T640 VanDerWaalsContact C-N 3.34Å; L638-T640 PolarHBondContact O-N 3.04Å; L638-A641 PolarHBondContact O-N 3.04Å; L638-I642 HydrophobicContact CD1-CD1 4.2Å; L638-I642 HydrophobicContact CG-CD1 4.34Å; L638-I642 WeakPolarHBondContact O-CG1 3.36Å; L638-I642 PolarHBondContact O-N 3.09Å; L638-I642 VanDerWaalsContact O-N 3.09Å
639	K	93.9	Very high	92.4	Very high	51 Å²	51	32.1 Å²	32.1	22%	0.222	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-48.3	171	-77.1	-175.9	167.1	-111.9	0	110.4	R635 A636 A641 I642 Y643 E674	R635-K639 PolarHBondContact O-N 2.91Å; A636-K639 PolarHBondContact O-N 2.85Å; K639-A641 PolarHBondContact O-N 3.41Å; K639-I642 PolarHBondContact O-N 3.43Å; K639-Y643 HydrophobicContact CB-CD2 4.47Å; K639-Y643 VanDerWaalsContact O-CD2 3.24Å; K639-Y643 WeakPolarHBondContact O-CD2 3.08Å; K639-Y643 PolarHBondContact O-N 3.48Å; K639-E674 WeakPolarHBondContact CE-OE1 3.32Å; K639-E674 VanDerWaalsContact CE-OE2 3.3Å; K639-E674 WeakPolarHBondContact CE-OE2 3.16Å; K639-E674 PolarHBondContact NZ-O 3.31Å; K639-E674 VanDerWaalsContact NZ-O 3.07Å; K639-E674 IonicContact NZ-OE1 2.67Å; K639-E674 PolarHBondContact NZ-OE1 2.92Å; K639-E674 IonicContact NZ-OE2 3.19Å; K639-E674 PolarHBondContact NZ-OE2 3.44Å; K639-E674 PolarHBondContact NZ-OXT 3.09Å
640	T	94.3	Very high	92.5	Very high	70 Å²	70	30.4 Å²	30.4	43%	0.429	17%	0.172	S	C	.	.	H	α-helix	trans	-60.3	-41.3	179.5	-57.9	0	0	0	0	112.8	A636 S637 L638 R644	A636-T640 WeakPolarHBondContact O-CB 3.06Å; A636-T640 PolarHBondContact O-N 3.2Å; A636-T640 PolarHBondContact O-OG1 2.04Å; S637-T640 PolarHBondContact O-N 2.98Å; L638-T640 VanDerWaalsContact C-N 3.34Å; L638-T640 PolarHBondContact O-N 3.04Å; T640-R644 VanDerWaalsContact O-CB 3.23Å; T640-R644 WeakPolarHBondContact O-CB 3.1Å; T640-R644 PolarHBondContact O-N 3.42Å
641	A	95.8	Very high	92.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-40.1	177.8	0	0	0	0	0	112.5	L565 S569 S637 L638 K639 I645	L565-A641 HydrophobicContact CD1-CB 3.59Å; L565-A641 HydrophobicContact CG-CB 3.86Å; S569-A641 WeakPolarHBondContact OG-CB 3.18Å; S637-A641 WeakPolarHBondContact O-CB 3.39Å; S637-A641 PolarHBondContact O-N 3.31Å; L638-A641 PolarHBondContact O-N 3.04Å; K639-A641 PolarHBondContact O-N 3.41Å; A641-I645 WeakPolarHBondContact O-CG1 3.39Å; A641-I645 PolarHBondContact O-N 3.35Å
642	I	94.1	Very high	92	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-68.4	-50.7	175.5	-63	167	0	0	0	110	L595 L596 Q599 L638 K639 R644 I645 T646 F669	L595-I642 HydrophobicContact CB-CD1 4.29Å; L595-I642 HydrophobicContact CB-CG1 4.02Å; L595-I642 HydrophobicContact CD1-CG1 4.34Å; L596-I642 HydrophobicContact CD2-CD1 4.45Å; Q599-I642 HydrophobicContact CB-CD1 4.16Å; Q599-I642 HydrophobicContact CG-CD1 4.44Å; L638-I642 HydrophobicContact CD1-CD1 4.2Å; L638-I642 HydrophobicContact CG-CD1 4.34Å; L638-I642 WeakPolarHBondContact O-CG1 3.36Å; L638-I642 PolarHBondContact O-N 3.09Å; L638-I642 VanDerWaalsContact O-N 3.09Å; K639-I642 PolarHBondContact O-N 3.43Å; I642-R644 PolarHBondContact O-N 3Å; I642-I645 PolarHBondContact O-N 3.47Å; I642-T646 HydrophobicContact CG2-CG2 4.17Å; I642-T646 PolarHBondContact O-N 2.82Å; I642-T646 PolarHBondContact O-OG1 3.09Å; I642-F669 HydrophobicContact CB-CD1 4.24Å; I642-F669 HydrophobicContact CB-CE1 3.91Å; I642-F669 HydrophobicContact CB-CZ 4.03Å; I642-F669 HydrophobicContact CD1-CE2 4.18Å; I642-F669 HydrophobicContact CD1-CZ 3.84Å; I642-F669 HydrophobicContact CG2-CB 4.34Å; I642-F669 HydrophobicContact CG2-CD1 3.62Å; I642-F669 HydrophobicContact CG2-CD2 3.7Å; I642-F669 HydrophobicContact CG2-CE1 3.69Å; I642-F669 HydrophobicContact CG2-CE2 3.75Å; I642-F669 HydrophobicContact CG2-CG 3.62Å; I642-F669 HydrophobicContact CG2-CZ 3.73Å
643	Y	94.6	Very high	91.6	Very high	48 Å²	48	41.8 Å²	41.8	19%	0.188	23%	0.226	C	C	.	.	H	α-helix	trans	-56.9	-34.6	176.1	-84.6	-65.1	0	0	0	113	K639 T646 T647 F669 F672	K639-Y643 HydrophobicContact CB-CD2 4.47Å; K639-Y643 VanDerWaalsContact O-CD2 3.24Å; K639-Y643 WeakPolarHBondContact O-CD2 3.08Å; K639-Y643 PolarHBondContact O-N 3.48Å; Y643-T646 WeakPolarHBondContact CA-OG1 3.32Å; Y643-T646 PolarHBondContact O-OG1 3.48Å; Y643-T647 WeakPolarHBondContact O-CB 3.27Å; Y643-T647 VanDerWaalsContact O-CG2 3.28Å; Y643-T647 WeakPolarHBondContact O-CG2 3.29Å; Y643-T647 PolarHBondContact O-N 3.38Å; Y643-T647 PolarHBondContact O-OG1 2.82Å; Y643-F669 AromaticContact CD1-CD1 3.9Å; Y643-F669 HydrophobicContact CD1-CD1 3.9Å; Y643-F669 AromaticContact CD2-CD1 3.83Å; Y643-F669 HydrophobicContact CD2-CD1 3.83Å; Y643-F669 AromaticContact CD2-CE1 3.84Å; Y643-F669 HydrophobicContact CD2-CE1 3.84Å; Y643-F669 HydrophobicContact CE1-CB 4.46Å; Y643-F669 AromaticContact CE1-CD1 3.7Å; Y643-F669 HydrophobicContact CE1-CD1 3.7Å; Y643-F669 WeakPolarHBondContact CE1-O 3.26Å; Y643-F669 AromaticContact CE2-CD1 3.61Å; Y643-F669 HydrophobicContact CE2-CD1 3.61Å; Y643-F669 AromaticContact CE2-CE1 3.59Å; Y643-F669 HydrophobicContact CE2-CE1 3.59Å; Y643-F669 AromaticContact CG-CD1 3.96Å; Y643-F669 HydrophobicContact CG-CD1 3.96Å; Y643-F669 HydrophobicContact CG-CE1 4.38Å; Y643-F669 AromaticContact CZ-CD1 3.54Å; Y643-F669 AromaticContact CZ-CE1 3.98Å; Y643-F672 AromaticContact CD1-CD1 3.9Å; Y643-F672 HydrophobicContact CD1-CD1 3.9Å; Y643-F672 AromaticContact CD1-CE1 3.89Å; Y643-F672 HydrophobicContact CD1-CE1 3.89Å; Y643-F672 AromaticContact CE1-CD1 3.45Å; Y643-F672 HydrophobicContact CE1-CD1 3.45Å; Y643-F672 VanDerWaalsContact CE1-CD1 3.45Å; Y643-F672 AromaticContact CE1-CE1 3.94Å; Y643-F672 HydrophobicContact CE1-CE1 3.94Å; Y643-F672 HydrophobicContact CE1-CG 4.23Å
644	R	94.8	Very high	91	Very high	44 Å²	44	43.8 Å²	43.8	17%	0.166	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-40.7	175.1	-176.2	-176.4	-62.7	139.3	-0.2	111.8	E566 S569 H570 A573 T640 I642 T647 T648	E566-R644 IonicContact OE2-CZ 2.98Å; E566-R644 VanDerWaalsContact OE2-CZ 3.25Å; E566-R644 IonicContact OE2-NH1 3.65Å; E566-R644 PolarHBondContact OE2-NH1 3.3Å; E566-R644 IonicContact OE2-NH2 2.9Å; E566-R644 PolarHBondContact OE2-NH2 3.1Å; S569-R644 PolarHBondContact OG-NH1 3.36Å; H570-R644 PolarHBondContact CD2-NH1 3.27Å; H570-R644 VanDerWaalsContact CE1-CZ 3.43Å; H570-R644 PolarHBondContact CE1-NE 3.35Å; H570-R644 PolarHBondContact NE2-NH1 2.97Å; H570-R644 PolarHBondContact NE2-NH2 2.71Å; H570-R644 VanDerWaalsContact NE2-NH2 3.18Å; A573-R644 HydrophobicContact CB-CG 3.94Å; T640-R644 VanDerWaalsContact O-CB 3.23Å; T640-R644 WeakPolarHBondContact O-CB 3.1Å; T640-R644 PolarHBondContact O-N 3.42Å; I642-R644 PolarHBondContact O-N 3Å; R644-T647 PolarHBondContact O-OG1 3.48Å; R644-T648 VanDerWaalsContact O-CG2 3.3Å; R644-T648 WeakPolarHBondContact O-CG2 3.45Å; R644-T648 PolarHBondContact O-N 3.31Å; R644-T648 PolarHBondContact O-OG1 2.99Å
645	I	93.8	Very high	90.2	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-76.9	-40.6	178.8	-61	167.6	0	0	0	110.7	V572 L588 L592 L595 A641 I642 T647 T648 F649	V572-I645 HydrophobicContact CB-CD1 4.35Å; V572-I645 HydrophobicContact CB-CG1 4.3Å; V572-I645 HydrophobicContact CG1-CD1 4.06Å; V572-I645 HydrophobicContact CG1-CG1 3.87Å; V572-I645 HydrophobicContact CG1-CG2 3.96Å; L588-I645 HydrophobicContact CD1-CG2 4.06Å; L592-I645 HydrophobicContact CD2-CG2 3.89Å; L595-I645 HydrophobicContact CD1-CD1 3.7Å; A641-I645 WeakPolarHBondContact O-CG1 3.39Å; A641-I645 PolarHBondContact O-N 3.35Å; I642-I645 PolarHBondContact O-N 3.47Å; I645-T647 PolarHBondContact O-N 2.85Å; I645-T648 PolarHBondContact O-N 2.79Å; I645-T648 PolarHBondContact O-OG1 3.12Å; I645-F649 HydrophobicContact CG2-CD2 3.94Å; I645-F649 HydrophobicContact CG2-CE2 4.35Å; I645-F649 WeakPolarHBondContact O-CD2 3.47Å; I645-F649 PolarHBondContact O-N 3.2Å; I645-F649 VanDerWaalsContact O-N 3.1Å
646	T	92.4	Very high	89.4	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-68.8	-33.9	179.9	61	0	0	0	0	112.8	I642 Y643 G650 L653 L666 F669	I642-T646 HydrophobicContact CG2-CG2 4.17Å; I642-T646 PolarHBondContact O-N 2.82Å; I642-T646 PolarHBondContact O-OG1 3.09Å; Y643-T646 WeakPolarHBondContact CA-OG1 3.32Å; Y643-T646 PolarHBondContact O-OG1 3.48Å; T646-G650 VanDerWaalsContact O-CA 3.31Å; T646-G650 WeakPolarHBondContact O-CA 3.2Å; T646-G650 PolarHBondContact O-N 3.48Å; T646-L653 HydrophobicContact CG2-CD1 3.96Å; T646-L666 HydrophobicContact CG2-CD1 3.65Å; T646-F669 HydrophobicContact CG2-CB 3.91Å
647	T	92.2	Very high	88.3	Confident	84 Å²	84	51.7 Å²	51.7	52%	0.515	28%	0.279	S	S	.	.	H	α-helix	trans	-75.9	-27.4	175.6	54.7	0	0	0	0	113.8	Y643 R644 I645 F672	Y643-T647 WeakPolarHBondContact O-CB 3.27Å; Y643-T647 VanDerWaalsContact O-CG2 3.28Å; Y643-T647 WeakPolarHBondContact O-CG2 3.29Å; Y643-T647 PolarHBondContact O-N 3.38Å; Y643-T647 PolarHBondContact O-OG1 2.82Å; R644-T647 PolarHBondContact O-OG1 3.48Å; I645-T647 PolarHBondContact O-N 2.85Å; T647-F672 HydrophobicContact CG2-CE1 4.14Å; T647-F672 HydrophobicContact CG2-CZ 3.84Å
648	T	92.1	Very high	87.3	Confident	49 Å²	49	52.3 Å²	52.3	30%	0.301	29%	0.285	S	S	.	.	H	α-helix	trans	-82.8	-36.6	177.7	57.7	0	0	0	0	113.8	A573 R644 I645	A573-T648 HydrophobicContact CB-CG2 3.96Å; R644-T648 VanDerWaalsContact O-CG2 3.3Å; R644-T648 WeakPolarHBondContact O-CG2 3.45Å; R644-T648 PolarHBondContact O-N 3.31Å; R644-T648 PolarHBondContact O-OG1 2.99Å; I645-T648 PolarHBondContact O-N 2.79Å; I645-T648 PolarHBondContact O-OG1 3.12Å
649	F	89.8	Confident	86.4	Confident	12 Å²	12	55.5 Å²	55.5	5%	0.053	31%	0.308	C	S	.	.	H	α-helix	trans	-93.7	-22.6	179.3	-71.1	-93.2	0	0	0	113.3	V572 F576 L588 I645 E651 H652 L653	V572-F649 HydrophobicContact CG1-CE2 3.7Å; V572-F649 HydrophobicContact CG1-CZ 4.23Å; V572-F649 VanDerWaalsContact O-CE2 3.26Å; V572-F649 WeakPolarHBondContact O-CE2 3.38Å; V572-F649 WeakPolarHBondContact O-CZ 3.47Å; F576-F649 HydrophobicContact CB-CZ 4.27Å; F576-F649 AromaticContact CD2-CD1 3.89Å; F576-F649 HydrophobicContact CD2-CD1 3.89Å; F576-F649 AromaticContact CD2-CE1 3.85Å; F576-F649 HydrophobicContact CD2-CE1 3.85Å; F576-F649 HydrophobicContact CD2-CG 4.48Å; F576-F649 HydrophobicContact CD2-CZ 4.4Å; F576-F649 HydrophobicContact CE2-CD1 4.44Å; L588-F649 HydrophobicContact CD2-CD1 3.96Å; L588-F649 HydrophobicContact CD2-CE1 3.92Å; L588-F649 HydrophobicContact CD2-CG 4.34Å; L588-F649 HydrophobicContact CD2-CZ 4.27Å; I645-F649 HydrophobicContact CG2-CD2 3.94Å; I645-F649 HydrophobicContact CG2-CE2 4.35Å; I645-F649 WeakPolarHBondContact O-CD2 3.47Å; I645-F649 PolarHBondContact O-N 3.2Å; I645-F649 VanDerWaalsContact O-N 3.1Å; F649-E651 PolarHBondContact O-N 3.17Å; F649-H652 VanDerWaalsContact O-CB 3.29Å; F649-H652 WeakPolarHBondContact O-CB 3.28Å; F649-H652 PolarHBondContact O-CD2 2.69Å; F649-H652 VanDerWaalsContact O-CD2 3.25Å; F649-H652 PolarHBondContact O-N 3.01Å; F649-H652 VanDerWaalsContact O-N 3.08Å; F649-L653 HydrophobicContact CB-CD1 4.11Å; F649-L653 HydrophobicContact CB-CD2 3.53Å; F649-L653 HydrophobicContact CB-CG 3.58Å; F649-L653 HydrophobicContact CG-CD2 4.11Å
650	G	88.5	Confident	85.5	Confident	23 Å²	23	56.8 Å²	56.8	24%	0.237	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	50.6	-130.2	173.9	0	0	0	0	0	113.5	T646 H652 L653	T646-G650 VanDerWaalsContact O-CA 3.31Å; T646-G650 WeakPolarHBondContact O-CA 3.2Å; T646-G650 PolarHBondContact O-N 3.48Å; G650-H652 PolarHBondContact O-N 3.38Å; G650-L653 WeakPolarHBondContact O-CB 3.27Å; G650-L653 PolarHBondContact O-N 2.73Å; G650-L653 VanDerWaalsContact O-N 3.16Å
651	E	81.6	Confident	84.6	Confident	166 Å²	166	58.6 Å²	58.6	78%	0.776	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-63.9	-21.1	-178.4	-60.8	-173.6	172.4	0	0	114	F649 L653 N654	F649-E651 PolarHBondContact O-N 3.17Å; E651-L653 PolarHBondContact O-N 3.05Å; E651-L653 VanDerWaalsContact O-N 3.13Å; E651-N654 VanDerWaalsContact O-CB 3.31Å; E651-N654 WeakPolarHBondContact O-CB 3.45Å; E651-N654 PolarHBondContact O-N 2.9Å; E651-N654 PolarHBondContact O-ND2 2.9Å
652	H	83.6	Confident	83.8	Confident	129 Å²	129	60 Å²	60	60%	0.597	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-62.7	-20.2	175.7	-57.7	-64	0	0	0	112.4	F649 G650 N654 A655	F649-H652 VanDerWaalsContact O-CB 3.29Å; F649-H652 WeakPolarHBondContact O-CB 3.28Å; F649-H652 PolarHBondContact O-CD2 2.69Å; F649-H652 VanDerWaalsContact O-CD2 3.25Å; F649-H652 PolarHBondContact O-N 3.01Å; F649-H652 VanDerWaalsContact O-N 3.08Å; G650-H652 PolarHBondContact O-N 3.38Å; H652-N654 PolarHBondContact O-N 2.92Å; H652-A655 PolarHBondContact O-N 3.4Å
653	L	82.5	Confident	83.2	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.016	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-68.4	-18.9	173.5	-63.7	-175.6	0	0	0	113.6	L588 L592 T646 F649 G650 E651 A655 V656 L666	L588-L653 HydrophobicContact CD2-CD2 4Å; L592-L653 HydrophobicContact CD1-CD2 3.88Å; T646-L653 HydrophobicContact CG2-CD1 3.96Å; F649-L653 HydrophobicContact CB-CD1 4.11Å; F649-L653 HydrophobicContact CB-CD2 3.53Å; F649-L653 HydrophobicContact CB-CG 3.58Å; F649-L653 HydrophobicContact CG-CD2 4.11Å; G650-L653 WeakPolarHBondContact O-CB 3.27Å; G650-L653 PolarHBondContact O-N 2.73Å; G650-L653 VanDerWaalsContact O-N 3.16Å; E651-L653 PolarHBondContact O-N 3.05Å; E651-L653 VanDerWaalsContact O-N 3.13Å; L653-A655 PolarHBondContact O-N 2.88Å; L653-V656 HydrophobicContact CD2-CG2 4.13Å; L653-V656 WeakPolarHBondContact O-CB 3.25Å; L653-V656 PolarHBondContact O-N 3.33Å; L653-V656 VanDerWaalsContact O-N 3.13Å; L653-L666 HydrophobicContact CB-CD2 4.14Å; L653-L666 HydrophobicContact CD1-CD1 4.28Å
654	N	77.6	Confident	82.6	Confident	84 Å²	84	69.4 Å²	69.4	45%	0.449	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-68.3	-21.3	174.7	-65.6	-36.6	0	0	0	112.7	E651 H652	E651-N654 VanDerWaalsContact O-CB 3.31Å; E651-N654 WeakPolarHBondContact O-CB 3.45Å; E651-N654 PolarHBondContact O-N 2.9Å; E651-N654 PolarHBondContact O-ND2 2.9Å; H652-N654 PolarHBondContact O-N 2.92Å
655	A	76.2	Confident	82	Confident	89 Å²	89	69.8 Å²	69.8	74%	0.736	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-84.9	-8.2	174.3	0	0	0	0	0	113.3	H652 L653	H652-A655 PolarHBondContact O-N 3.4Å; L653-A655 PolarHBondContact O-N 2.88Å
656	V	77.2	Confident	81.5	Confident	27 Å²	27	70.1 Å²	70.1	16%	0.164	39%	0.385	C	S	.	.	S	Bend	trans	-78.7	122.6	-179.9	173.9	0	0	0	0	109.9	L588 P589 L592 L653 A658	L588-V656 HydrophobicContact CD2-CG2 4.37Å; P589-V656 HydrophobicContact CB-CG1 3.77Å; P589-V656 HydrophobicContact CG-CG1 3.92Å; L592-V656 HydrophobicContact CD1-CG1 4.42Å; L653-V656 HydrophobicContact CD2-CG2 4.13Å; L653-V656 WeakPolarHBondContact O-CB 3.25Å; L653-V656 PolarHBondContact O-N 3.33Å; L653-V656 VanDerWaalsContact O-N 3.13Å; V656-A658 PolarHBondContact O-N 3.45Å; V656-A658 VanDerWaalsContact O-N 3.08Å
657	Q	69.9	Low	81.2	Confident	181 Å²	181	73.6 Å²	73.6	85%	0.846	40%	0.401	S	S	*	.			trans	-66.4	108.7	175.3	-64.7	-177	8.6	0	0	110.6
658	A	72.4	Confident	80.9	Confident	31 Å²	31	73.2 Å²	73.2	26%	0.256	39%	0.393	S	S	.	.			trans	-131.3	160.1	176.4	0	0	0	0	0	110.5	V656 H662	V656-A658 PolarHBondContact O-N 3.45Å; V656-A658 VanDerWaalsContact O-N 3.08Å; A658-H662 HydrophobicContact CB-CB 4.33Å
659	S	77.4	Confident	80.6	Confident	70 Å²	70	71 Å²	71	49%	0.49	38%	0.379	S	S	.	.			trans	-63.6	148.9	170.6	175.3	0	0	0	0	110.6	E661 H662 Q663	S659-E661 PolarHBondContact O-N 3.25Å; S659-E661 VanDerWaalsContact O-N 3.16Å; S659-H662 WeakPolarHBondContact O-CB 3.41Å; S659-H662 PolarHBondContact O-N 3.49Å; S659-Q663 WeakPolarHBondContact O-CB 3.47Å; S659-Q663 PolarHBondContact O-N 3.05Å
660	A	74.4	Confident	80.4	Confident	79 Å²	79	72.3 Å²	72.3	65%	0.653	39%	0.387	S	S	*	.	H	α-helix	trans	-58.1	-31	-177.5	0	0	0	0	0	113.8	K664	A660-K664 WeakPolarHBondContact O-CB 3.04Å; A660-K664 PolarHBondContact O-N 3.16Å; A660-K664 VanDerWaalsContact O-N 3.1Å
661	E	76.8	Confident	80.4	Confident	108 Å²	108	75.1 Å²	75.1	51%	0.505	39%	0.394	S	S	.	.	H	α-helix	trans	-70.2	-45.8	173.9	-176.9	167.2	-165	0	0	111.7	S659 K664 R665	S659-E661 PolarHBondContact O-N 3.25Å; S659-E661 VanDerWaalsContact O-N 3.16Å; E661-K664 PolarHBondContact O-N 2.75Å; E661-R665 PolarHBondContact O-N 3.04Å; E661-R665 VanDerWaalsContact O-N 3.15Å; E661-R665 IonicContact OE1-NH2 3.85Å
662	H	78.6	Confident	80.6	Confident	29 Å²	29	73.8 Å²	73.8	13%	0.134	39%	0.385	C	S	.	.	H	α-helix	trans	-62.4	-42.6	175.7	-66	71.9	0	0	0	111.6	L596 T597 A658 S659 K664 R665 L666	L596-H662 HydrophobicContact CD1-CB 3.94Å; T597-H662 PolarHBondContact OG1-NE2 3.14Å; A658-H662 HydrophobicContact CB-CB 4.33Å; S659-H662 WeakPolarHBondContact O-CB 3.41Å; S659-H662 PolarHBondContact O-N 3.49Å; H662-K664 PolarHBondContact O-N 3.2Å; H662-R665 PolarHBondContact O-N 2.91Å; H662-L666 WeakPolarHBondContact O-CB 3.12Å; H662-L666 PolarHBondContact O-N 2.82Å
663	Q	80.5	Confident	80.5	Confident	94 Å²	94	74.6 Å²	74.6	44%	0.439	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-41.5	177	-167.1	177.6	14.5	0	0	111.7	S659 R665 L666 Q667	S659-Q663 WeakPolarHBondContact O-CB 3.47Å; S659-Q663 PolarHBondContact O-N 3.05Å; Q663-R665 PolarHBondContact O-N 3.14Å; Q663-L666 PolarHBondContact O-N 3.12Å; Q663-Q667 PolarHBondContact O-N 2.9Å
664	K	83.3	Confident	79.9	Confident	153 Å²	153	77.8 Å²	77.8	67%	0.665	40%	0.402	S	S	*	.	H	α-helix	trans	-61.9	-39.5	174.8	-177.5	178.2	178.4	179	0	112.7	A660 E661 H662 Q668	A660-K664 WeakPolarHBondContact O-CB 3.04Å; A660-K664 PolarHBondContact O-N 3.16Å; A660-K664 VanDerWaalsContact O-N 3.1Å; E661-K664 PolarHBondContact O-N 2.75Å; H662-K664 PolarHBondContact O-N 3.2Å; K664-Q668 PolarHBondContact O-N 3.49Å
665	R	81.3	Confident	80.1	Confident	52 Å²	52	77.5 Å²	77.5	20%	0.196	40%	0.4	C	S	.	.	H	α-helix	trans	-70	-41	174.5	-69.1	-179.6	-173.1	-93.7	-6.6	112	L596 E600 E661 H662 Q663 Q667 Q668 F669	L596-R665 HydrophobicContact CD2-CB 4.07Å; E600-R665 VanDerWaalsContact CD-CZ 3.49Å; E600-R665 VanDerWaalsContact CG-NH2 3.33Å; E600-R665 IonicContact OE1-CZ 2.95Å; E600-R665 IonicContact OE1-NE 3.69Å; E600-R665 PolarHBondContact OE1-NE 3.28Å; E600-R665 IonicContact OE1-NH2 2.65Å; E600-R665 PolarHBondContact OE1-NH2 2.95Å; E600-R665 IonicContact OE2-NH2 2.74Å; E661-R665 PolarHBondContact O-N 3.04Å; E661-R665 VanDerWaalsContact O-N 3.15Å; E661-R665 IonicContact OE1-NH2 3.85Å; H662-R665 PolarHBondContact O-N 2.91Å; Q663-R665 PolarHBondContact O-N 3.14Å; R665-Q667 PolarHBondContact O-N 3.28Å; R665-Q668 WeakPolarHBondContact O-CA 3.45Å; R665-Q668 WeakPolarHBondContact O-CB 3.46Å; R665-Q668 PolarHBondContact O-N 2.91Å; R665-F669 WeakPolarHBondContact O-CD2 3.5Å; R665-F669 PolarHBondContact O-N 3.18Å; R665-F669 VanDerWaalsContact O-N 3.16Å
666	L	84.3	Confident	80.3	Confident	7 Å²	7	76.9 Å²	76.9	4%	0.037	38%	0.382	C	S	.	.	H	α-helix	trans	-58.3	-40.4	177	-165.7	63	0	0	0	110.8	L592 T646 L653 H662 Q663 Q668 F669 L670	L592-L666 HydrophobicContact CD2-CD1 4.28Å; T646-L666 HydrophobicContact CG2-CD1 3.65Å; L653-L666 HydrophobicContact CB-CD2 4.14Å; L653-L666 HydrophobicContact CD1-CD1 4.28Å; H662-L666 WeakPolarHBondContact O-CB 3.12Å; H662-L666 PolarHBondContact O-N 2.82Å; Q663-L666 PolarHBondContact O-N 3.12Å; L666-Q668 VanDerWaalsContact C-N 3.34Å; L666-Q668 PolarHBondContact O-N 2.63Å; L666-F669 PolarHBondContact O-N 3.5Å; L666-L670 WeakPolarHBondContact O-CG 3.46Å; L666-L670 PolarHBondContact O-N 3.3Å
667	Q	84.1	Confident	80.4	Confident	75 Å²	75	79.7 Å²	79.7	35%	0.35	39%	0.394	S	S	.	.	H	α-helix	trans	-60.3	-38.9	171.9	-168.1	64.4	21.5	0	0	112.9	Q663 R665 F669 L670 E671	Q663-Q667 PolarHBondContact O-N 2.9Å; R665-Q667 PolarHBondContact O-N 3.28Å; Q667-F669 VanDerWaalsContact C-N 3.31Å; Q667-F669 PolarHBondContact O-N 3.36Å; Q667-L670 PolarHBondContact O-N 3.02Å; Q667-E671 HydrophobicContact CG-CG 4.45Å; Q667-E671 WeakPolarHBondContact CG-OE1 3.12Å; Q667-E671 PolarHBondContact NE2-OE1 3.37Å; Q667-E671 WeakPolarHBondContact O-CB 3.41Å; Q667-E671 WeakPolarHBondContact O-CG 3.45Å; Q667-E671 PolarHBondContact O-N 2.84Å
668	Q	86.4	Confident	81	Confident	77 Å²	77	73.7 Å²	73.7	36%	0.36	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-35.3	175.3	-66.5	174.6	-38.4	0	0	112.4	K664 R665 L666 F672 K673 E674	K664-Q668 PolarHBondContact O-N 3.49Å; R665-Q668 WeakPolarHBondContact O-CA 3.45Å; R665-Q668 WeakPolarHBondContact O-CB 3.46Å; R665-Q668 PolarHBondContact O-N 2.91Å; L666-Q668 VanDerWaalsContact C-N 3.34Å; L666-Q668 PolarHBondContact O-N 2.63Å; Q668-F672 PolarHBondContact O-N 2.95Å; Q668-F672 VanDerWaalsContact O-N 3.11Å; Q668-K673 PolarHBondContact O-N 3.06Å; Q668-E674 HydrophobicContact CB-CB 4.48Å
669	F	87	Confident	81.6	Confident	1 Å²	1	76.4 Å²	76.4	0%	0.004	38%	0.375	C	S	.	.	H	α-helix	trans	-72.5	-39.4	173.1	-81.1	-81.7	0	0	0	113.2	L596 I642 Y643 T646 R665 L666 Q667 E671 F672 E674	L596-F669 HydrophobicContact CD2-CD2 4.33Å; L596-F669 HydrophobicContact CD2-CE2 4.08Å; I642-F669 HydrophobicContact CB-CD1 4.24Å; I642-F669 HydrophobicContact CB-CE1 3.91Å; I642-F669 HydrophobicContact CB-CZ 4.03Å; I642-F669 HydrophobicContact CD1-CE2 4.18Å; I642-F669 HydrophobicContact CD1-CZ 3.84Å; I642-F669 HydrophobicContact CG2-CB 4.34Å; I642-F669 HydrophobicContact CG2-CD1 3.62Å; I642-F669 HydrophobicContact CG2-CD2 3.7Å; I642-F669 HydrophobicContact CG2-CE1 3.69Å; I642-F669 HydrophobicContact CG2-CE2 3.75Å; I642-F669 HydrophobicContact CG2-CG 3.62Å; I642-F669 HydrophobicContact CG2-CZ 3.73Å; Y643-F669 AromaticContact CD1-CD1 3.9Å; Y643-F669 HydrophobicContact CD1-CD1 3.9Å; Y643-F669 AromaticContact CD2-CD1 3.83Å; Y643-F669 HydrophobicContact CD2-CD1 3.83Å; Y643-F669 AromaticContact CD2-CE1 3.84Å; Y643-F669 HydrophobicContact CD2-CE1 3.84Å; Y643-F669 HydrophobicContact CE1-CB 4.46Å; Y643-F669 AromaticContact CE1-CD1 3.7Å; Y643-F669 HydrophobicContact CE1-CD1 3.7Å; Y643-F669 WeakPolarHBondContact CE1-O 3.26Å; Y643-F669 AromaticContact CE2-CD1 3.61Å; Y643-F669 HydrophobicContact CE2-CD1 3.61Å; Y643-F669 AromaticContact CE2-CE1 3.59Å; Y643-F669 HydrophobicContact CE2-CE1 3.59Å; Y643-F669 AromaticContact CG-CD1 3.96Å; Y643-F669 HydrophobicContact CG-CD1 3.96Å; Y643-F669 HydrophobicContact CG-CE1 4.38Å; Y643-F669 AromaticContact CZ-CD1 3.54Å; Y643-F669 AromaticContact CZ-CE1 3.98Å; T646-F669 HydrophobicContact CG2-CB 3.91Å; R665-F669 WeakPolarHBondContact O-CD2 3.5Å; R665-F669 PolarHBondContact O-N 3.18Å; R665-F669 VanDerWaalsContact O-N 3.16Å; L666-F669 PolarHBondContact O-N 3.5Å; Q667-F669 VanDerWaalsContact C-N 3.31Å; Q667-F669 PolarHBondContact O-N 3.36Å; F669-E671 VanDerWaalsContact C-N 3.26Å; F669-E671 PolarHBondContact O-N 3.29Å; F669-F672 PolarHBondContact O-N 3.2Å; F669-E674 HydrophobicContact CD1-CB 4.48Å; F669-E674 HydrophobicContact CD1-CG 4.49Å; F669-E674 HydrophobicContact CD2-CG 4.32Å; F669-E674 HydrophobicContact CE1-CB 4.38Å; F669-E674 HydrophobicContact CE1-CG 3.97Å; F669-E674 WeakPolarHBondContact CE1-OE2 3.18Å; F669-E674 HydrophobicContact CE2-CG 3.78Å; F669-E674 HydrophobicContact CZ-CB 4.43Å; F669-E674 HydrophobicContact CZ-CG 3.6Å; F669-E674 WeakPolarHBondContact CZ-OE2 3.35Å
670	L	85.3	Confident	81.9	Confident	40 Å²	40	76.8 Å²	76.8	21%	0.209	37%	0.367	C	S	.	.	H	α-helix	trans	-62.6	-35	174.3	-71.5	167.7	0	0	0	111.6	L666 Q667	L666-L670 WeakPolarHBondContact O-CG 3.46Å; L666-L670 PolarHBondContact O-N 3.3Å; Q667-L670 PolarHBondContact O-N 3.02Å
671	E	87.2	Confident	82.4	Confident	83 Å²	83	76.6 Å²	76.6	39%	0.388	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.5	178.4	-66.4	178.6	-169.8	0	0	114.5	Q667 F669 K673	Q667-E671 HydrophobicContact CG-CG 4.45Å; Q667-E671 WeakPolarHBondContact CG-OE1 3.12Å; Q667-E671 PolarHBondContact NE2-OE1 3.37Å; Q667-E671 WeakPolarHBondContact O-CB 3.41Å; Q667-E671 WeakPolarHBondContact O-CG 3.45Å; Q667-E671 PolarHBondContact O-N 2.84Å; F669-E671 VanDerWaalsContact C-N 3.26Å; F669-E671 PolarHBondContact O-N 3.29Å; E671-K673 HydrophobicContact CB-CD 3.89Å; E671-K673 HydrophobicContact CB-CG 4.06Å; E671-K673 PolarHBondContact O-N 2.96Å; E671-K673 WeakPolarHBondContact OE2-CD 3.4Å; E671-K673 VanDerWaalsContact OE2-CE 3.3Å; E671-K673 WeakPolarHBondContact OE2-CE 3.26Å; E671-K673 IonicContact OE2-NZ 2.71Å; E671-K673 PolarHBondContact OE2-NZ 3.25Å
672	F	85.8	Confident	82.8	Confident	137 Å²	137	74.2 Å²	74.2	60%	0.601	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	41.8	-175.8	-56	-91.8	0	0	0	114.7	Y643 T647 Q668 F669	Y643-F672 AromaticContact CD1-CD1 3.9Å; Y643-F672 HydrophobicContact CD1-CD1 3.9Å; Y643-F672 AromaticContact CD1-CE1 3.89Å; Y643-F672 HydrophobicContact CD1-CE1 3.89Å; Y643-F672 AromaticContact CE1-CD1 3.45Å; Y643-F672 HydrophobicContact CE1-CD1 3.45Å; Y643-F672 VanDerWaalsContact CE1-CD1 3.45Å; Y643-F672 AromaticContact CE1-CE1 3.94Å; Y643-F672 HydrophobicContact CE1-CE1 3.94Å; Y643-F672 HydrophobicContact CE1-CG 4.23Å; T647-F672 HydrophobicContact CG2-CE1 4.14Å; T647-F672 HydrophobicContact CG2-CZ 3.84Å; Q668-F672 PolarHBondContact O-N 2.95Å; Q668-F672 VanDerWaalsContact O-N 3.11Å; F669-F672 PolarHBondContact O-N 3.2Å
673	K	82.4	Confident	83.2	Confident	147 Å²	147	78 Å²	78	64%	0.639	35%	0.351	S	S	*	.			trans	-111.6	23.4	-175.3	-66.7	176.5	-173.6	167.1	0	114.5	Q668 E671	Q668-K673 PolarHBondContact O-N 3.06Å; E671-K673 HydrophobicContact CB-CD 3.89Å; E671-K673 HydrophobicContact CB-CG 4.06Å; E671-K673 PolarHBondContact O-N 2.96Å; E671-K673 WeakPolarHBondContact OE2-CD 3.4Å; E671-K673 VanDerWaalsContact OE2-CE 3.3Å; E671-K673 WeakPolarHBondContact OE2-CE 3.26Å; E671-K673 IonicContact OE2-NZ 2.71Å; E671-K673 PolarHBondContact OE2-NZ 3.25Å
674	E	70.6	Confident	83.4	Confident	70 Å²	70	76.5 Å²	76.5	33%	0.327	34%	0.343	S	S	.	.			trans	-114.6	0	-169	-174.7	-84.2	151.8	0	0	115.9	Q599 K639 Q668 F669	Q599-E674 VanDerWaalsContact NE2-CD 3.34Å; Q599-E674 PolarHBondContact NE2-OE1 3.14Å; K639-E674 WeakPolarHBondContact CE-OE1 3.32Å; K639-E674 VanDerWaalsContact CE-OE2 3.3Å; K639-E674 WeakPolarHBondContact CE-OE2 3.16Å; K639-E674 PolarHBondContact NZ-O 3.31Å; K639-E674 VanDerWaalsContact NZ-O 3.07Å; K639-E674 IonicContact NZ-OE1 2.67Å; K639-E674 PolarHBondContact NZ-OE1 2.92Å; K639-E674 IonicContact NZ-OE2 3.19Å; K639-E674 PolarHBondContact NZ-OE2 3.44Å; K639-E674 PolarHBondContact NZ-OXT 3.09Å; Q668-E674 HydrophobicContact CB-CB 4.48Å; F669-E674 HydrophobicContact CD1-CB 4.48Å; F669-E674 HydrophobicContact CD1-CG 4.49Å; F669-E674 HydrophobicContact CD2-CG 4.32Å; F669-E674 HydrophobicContact CE1-CB 4.38Å; F669-E674 HydrophobicContact CE1-CG 3.97Å; F669-E674 WeakPolarHBondContact CE1-OE2 3.18Å; F669-E674 HydrophobicContact CE2-CG 3.78Å; F669-E674 HydrophobicContact CZ-CB 4.43Å; F669-E674 HydrophobicContact CZ-CG 3.6Å; F669-E674 WeakPolarHBondContact CZ-OE2 3.35Å

Retrieved 674 of 674 residues in 2988.1 ms (Link to these results)

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