A0A5K4F8K3_SCHMA Loading...

Peptidase_M13_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8K3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 755 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.4	Very low	70.6	Confident	221 Å²	221	137.7 Å²	137.7	100%	1.089	65%	0.654	S	S	*	*				0	-34.7	0	-149.2	160.3	164.5	0	0	113.6	L3 K4	M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 3.07Å; M1-K4 PolarHBondContact O-N 3.01Å
2	I	54.2	Low	71.4	Confident	151 Å²	151	135.3 Å²	135.3	77%	0.774	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-62.3	-27.3	177.6	-62	171.1	0	0	0	113.7	K4	I2-K4 PolarHBondContact O-N 3.31Å
3	L	58.7	Low	72.2	Confident	106 Å²	106	132.1 Å²	132.1	56%	0.555	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-64.5	-18	178.3	-79.3	153.9	0	0	0	115	M1 L6 K11 L14	M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 3.07Å; L3-L6 HydrophobicContact CD2-CD1 4.15Å; L3-K11 WeakPolarHBondContact O-CE 3.44Å; L3-L14 HydrophobicContact CD2-CD2 3.69Å
4	K	65.5	Low	72.4	Confident	184 Å²	184	128 Å²	128	80%	0.8	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-74	-26.1	-177.2	-89.1	-174.8	175.3	179.1	0	113.7	M1 I2	M1-K4 PolarHBondContact O-N 3.01Å; I2-K4 PolarHBondContact O-N 3.31Å
5	N	72.5	Confident	72.5	Confident	158 Å²	158	123.1 Å²	123.1	85%	0.845	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-96.4	1.7	-177.5	-82.1	-9.7	0	0	0	115.1
6	L	73.4	Confident	72.8	Confident	45 Å²	45	122.1 Å²	122.1	24%	0.236	60%	0.597	C	S	.	*			trans	-77.8	130.6	178.7	-66.8	170.5	0	0	0	110.9	L3 Q10 K11 L14	L3-L6 HydrophobicContact CD2-CD1 4.15Å; L6-Q10 HydrophobicContact CB-CB 3.85Å; L6-Q10 HydrophobicContact CD2-CB 3.79Å; L6-Q10 HydrophobicContact CD2-CG 4.23Å; L6-Q10 HydrophobicContact CG-CB 4.3Å; L6-K11 HydrophobicContact CB-CG 3.87Å; L6-K11 WeakPolarHBondContact O-CE 3.36Å; L6-L14 HydrophobicContact CD1-CD2 4.32Å
7	S	83.6	Confident	73.1	Confident	59 Å²	59	121.6 Å²	121.6	41%	0.413	60%	0.597	S	S	.	*			trans	-56.3	157.1	169.8	67.8	0	0	0	0	111	R9 Q10 K11	S7-R9 PolarHBondContact O-N 3.37Å; S7-R9 VanDerWaalsContact O-N 3.07Å; S7-Q10 PolarHBondContact O-N 3.45Å; S7-Q10 WeakPolarHBondContact OG-CG 3.3Å; S7-Q10 PolarHBondContact OG-N 2.96Å; S7-Q10 PolarHBondContact OG-OE1 2.96Å; S7-Q10 VanDerWaalsContact OG-OE1 3.11Å; S7-K11 PolarHBondContact O-N 3.24Å
8	K	79.8	Confident	73.1	Confident	197 Å²	197	119.3 Å²	119.3	86%	0.857	59%	0.591	S	S	*	*	H	α-helix	trans	-49.5	-37.3	174.2	-99.6	-175.9	175.7	-179.4	0	112.3	L12	K8-L12 PolarHBondContact O-N 3.11Å; K8-L12 VanDerWaalsContact O-N 3.12Å
9	R	80.9	Confident	73.1	Confident	204 Å²	204	118.5 Å²	118.5	77%	0.77	59%	0.588	S	S	*	*	H	α-helix	trans	-66.8	-43.2	177.9	-128.7	-179.1	-174.3	-173.3	1	112.1	S7 L12 I13	S7-R9 PolarHBondContact O-N 3.37Å; S7-R9 VanDerWaalsContact O-N 3.07Å; R9-L12 PolarHBondContact O-N 3.12Å; R9-I13 VanDerWaalsContact O-CG1 3.3Å; R9-I13 WeakPolarHBondContact O-CG1 3.25Å; R9-I13 PolarHBondContact O-N 3.49Å
10	Q	80.5	Confident	73	Confident	92 Å²	92	114.5 Å²	114.5	43%	0.43	58%	0.579	S	S	.	*	H	α-helix	trans	-68.8	-38	177.4	-75.6	166.4	-43.1	0	0	112.5	L6 S7 L12 I13 L14	L6-Q10 HydrophobicContact CB-CB 3.85Å; L6-Q10 HydrophobicContact CD2-CB 3.79Å; L6-Q10 HydrophobicContact CD2-CG 4.23Å; L6-Q10 HydrophobicContact CG-CB 4.3Å; S7-Q10 PolarHBondContact O-N 3.45Å; S7-Q10 WeakPolarHBondContact OG-CG 3.3Å; S7-Q10 PolarHBondContact OG-N 2.96Å; S7-Q10 PolarHBondContact OG-OE1 2.96Å; S7-Q10 VanDerWaalsContact OG-OE1 3.11Å; Q10-L12 VanDerWaalsContact C-N 3.3Å; Q10-L12 PolarHBondContact O-N 2.92Å; Q10-I13 PolarHBondContact O-N 2.96Å; Q10-L14 WeakPolarHBondContact O-CB 3.4Å; Q10-L14 PolarHBondContact O-N 3.37Å
11	K	77.8	Confident	72.5	Confident	98 Å²	98	112.1 Å²	112.1	43%	0.426	58%	0.576	S	S	.	*	H	α-helix	trans	-61.6	-39.8	173.5	-71	-176.5	-179.7	178.4	0	111.9	L3 L6 S7 L14 S15	L3-K11 WeakPolarHBondContact O-CE 3.44Å; L6-K11 HydrophobicContact CB-CG 3.87Å; L6-K11 WeakPolarHBondContact O-CE 3.36Å; S7-K11 PolarHBondContact O-N 3.24Å; K11-L14 PolarHBondContact O-N 2.99Å; K11-S15 PolarHBondContact O-N 3.47Å; K11-S15 PolarHBondContact O-OG 3.18Å
12	L	80.7	Confident	73.3	Confident	108 Å²	108	106.2 Å²	106.2	57%	0.565	55%	0.548	S	S	*	.	H	α-helix	trans	-65.6	-43.8	175.8	-165.4	75.4	0	0	0	111.6	K8 R9 Q10 L14 S15 I16	K8-L12 PolarHBondContact O-N 3.11Å; K8-L12 VanDerWaalsContact O-N 3.12Å; R9-L12 PolarHBondContact O-N 3.12Å; Q10-L12 VanDerWaalsContact C-N 3.3Å; Q10-L12 PolarHBondContact O-N 2.92Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.3Å; L12-S15 WeakPolarHBondContact CA-OG 3.41Å; L12-S15 PolarHBondContact O-N 3.46Å; L12-S15 PolarHBondContact O-OG 3.32Å; L12-S15 VanDerWaalsContact O-OG 3.09Å; L12-I16 HydrophobicContact CG-CD1 4.15Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.41Å; L12-I16 PolarHBondContact O-N 3.27Å
13	I	81.1	Confident	73.7	Confident	94 Å²	94	102.3 Å²	102.3	48%	0.482	53%	0.534	S	S	.	.	H	α-helix	trans	-62.3	-43.1	176.2	-67.5	164.6	0	0	0	110.8	R9 Q10 S15 I16 L17	R9-I13 VanDerWaalsContact O-CG1 3.3Å; R9-I13 WeakPolarHBondContact O-CG1 3.25Å; R9-I13 PolarHBondContact O-N 3.49Å; Q10-I13 PolarHBondContact O-N 2.96Å; I13-S15 PolarHBondContact O-N 3.09Å; I13-I16 PolarHBondContact O-N 2.66Å; I13-L17 HydrophobicContact CG2-CD1 3.98Å; I13-L17 WeakPolarHBondContact O-CG 3.19Å; I13-L17 PolarHBondContact O-N 3.49Å
14	L	76	Confident	73.8	Confident	75 Å²	75	100.2 Å²	100.2	39%	0.393	53%	0.532	S	S	.	.	H	α-helix	trans	-65.2	-40.2	179.3	-152	82.1	0	0	0	111.9	L3 L6 Q10 K11 L12 L17 V18	L3-L14 HydrophobicContact CD2-CD2 3.69Å; L6-L14 HydrophobicContact CD1-CD2 4.32Å; Q10-L14 WeakPolarHBondContact O-CB 3.4Å; Q10-L14 PolarHBondContact O-N 3.37Å; K11-L14 PolarHBondContact O-N 2.99Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.3Å; L14-L17 PolarHBondContact O-N 3.39Å; L14-V18 VanDerWaalsContact O-CG2 3.3Å; L14-V18 WeakPolarHBondContact O-CG2 3.17Å; L14-V18 PolarHBondContact O-N 2.83Å
15	S	72.9	Confident	73.3	Confident	54 Å²	54	94.6 Å²	94.6	38%	0.378	52%	0.515	S	S	.	.	H	α-helix	trans	-68	-36.5	175.8	32.1	0	0	0	0	112.2	K11 L12 I13 V18 I19	K11-S15 PolarHBondContact O-N 3.47Å; K11-S15 PolarHBondContact O-OG 3.18Å; L12-S15 WeakPolarHBondContact CA-OG 3.41Å; L12-S15 PolarHBondContact O-N 3.46Å; L12-S15 PolarHBondContact O-OG 3.32Å; L12-S15 VanDerWaalsContact O-OG 3.09Å; I13-S15 PolarHBondContact O-N 3.09Å; S15-V18 PolarHBondContact O-N 2.9Å; S15-I19 WeakPolarHBondContact O-CB 3.38Å; S15-I19 WeakPolarHBondContact O-CD1 3.3Å; S15-I19 WeakPolarHBondContact O-CG1 3.26Å; S15-I19 PolarHBondContact O-N 2.84Å
16	I	78.5	Confident	72.7	Confident	107 Å²	107	90.3 Å²	90.3	55%	0.549	50%	0.495	S	S	.	.	H	α-helix	trans	-64.7	-40.5	172.4	-67.8	165.3	0	0	0	111.2	L12 I13 G20	L12-I16 HydrophobicContact CG-CD1 4.15Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.41Å; L12-I16 PolarHBondContact O-N 3.27Å; I13-I16 PolarHBondContact O-N 2.66Å; I16-G20 PolarHBondContact O-N 2.97Å
17	L	77.1	Confident	72.1	Confident	114 Å²	114	92.2 Å²	92.2	60%	0.597	51%	0.508	S	S	*	.	H	α-helix	trans	-67.2	-41.2	177.8	-75.5	167.7	0	0	0	112.3	I13 L14 G20 A21	I13-L17 HydrophobicContact CG2-CD1 3.98Å; I13-L17 WeakPolarHBondContact O-CG 3.19Å; I13-L17 PolarHBondContact O-N 3.49Å; L14-L17 PolarHBondContact O-N 3.39Å; L17-G20 PolarHBondContact O-N 3.29Å; L17-A21 PolarHBondContact O-N 2.88Å
18	V	72.5	Confident	70.6	Confident	80 Å²	80	95.1 Å²	95.1	49%	0.485	52%	0.518	S	S	.	.	H	α-helix	trans	-66.5	-44.2	176.4	172.5	0	0	0	0	110.9	L14 S15 G20 A21 I22	L14-V18 VanDerWaalsContact O-CG2 3.3Å; L14-V18 WeakPolarHBondContact O-CG2 3.17Å; L14-V18 PolarHBondContact O-N 2.83Å; S15-V18 PolarHBondContact O-N 2.9Å; V18-G20 VanDerWaalsContact C-N 3.29Å; V18-G20 PolarHBondContact O-N 3.32Å; V18-A21 PolarHBondContact O-N 3.32Å; V18-I22 HydrophobicContact CG1-CD1 3.78Å; V18-I22 HydrophobicContact CG1-CG1 4.5Å; V18-I22 VanDerWaalsContact O-CG1 3.26Å; V18-I22 WeakPolarHBondContact O-CG1 3.43Å; V18-I22 PolarHBondContact O-N 3.43Å
19	I	74.6	Confident	69.2	Low	104 Å²	104	89.8 Å²	89.8	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-62.7	-39.5	174.5	-67.3	165.7	0	0	0	110.3	S15 I22 C23	S15-I19 WeakPolarHBondContact O-CB 3.38Å; S15-I19 WeakPolarHBondContact O-CD1 3.3Å; S15-I19 WeakPolarHBondContact O-CG1 3.26Å; S15-I19 PolarHBondContact O-N 2.84Å; I19-I22 PolarHBondContact O-N 3.42Å; I19-C23 WeakPolarHBondContact O-CB 3.16Å; I19-C23 PolarHBondContact O-N 2.94Å; I19-C23 PolarHBondContact O-SG 3.47Å; I19-C23 VanDerWaalsContact O-SG 3.39Å
20	G	69.3	Low	68	Low	39 Å²	39	84.1 Å²	84.1	40%	0.402	49%	0.487	S	S	.	.	H	α-helix	trans	-61.5	-43.3	175.2	0	0	0	0	0	113.2	I16 L17 V18 C23 A24	I16-G20 PolarHBondContact O-N 2.97Å; L17-G20 PolarHBondContact O-N 3.29Å; V18-G20 VanDerWaalsContact C-N 3.29Å; V18-G20 PolarHBondContact O-N 3.32Å; G20-C23 PolarHBondContact O-N 2.95Å; G20-A24 WeakPolarHBondContact O-CB 3.31Å; G20-A24 PolarHBondContact O-N 3.24Å
21	A	63.4	Low	66.4	Low	64 Å²	64	86 Å²	86	53%	0.529	49%	0.494	S	S	.	.	H	α-helix	trans	-67.8	-39.9	177.5	0	0	0	0	0	112.3	L17 V18 A24 S25	L17-A21 PolarHBondContact O-N 2.88Å; V18-A21 PolarHBondContact O-N 3.32Å; A21-A24 PolarHBondContact O-N 3.38Å; A21-S25 PolarHBondContact O-N 2.88Å
22	I	66.2	Low	64.9	Low	97 Å²	97	86.6 Å²	86.6	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-67.3	-43	175.5	-64.8	166.6	0	0	0	110.5	V18 I19 A24 S25 V26	V18-I22 HydrophobicContact CG1-CD1 3.78Å; V18-I22 HydrophobicContact CG1-CG1 4.5Å; V18-I22 VanDerWaalsContact O-CG1 3.26Å; V18-I22 WeakPolarHBondContact O-CG1 3.43Å; V18-I22 PolarHBondContact O-N 3.43Å; I19-I22 PolarHBondContact O-N 3.42Å; I22-A24 VanDerWaalsContact C-N 3.31Å; I22-A24 PolarHBondContact O-N 2.98Å; I22-S25 PolarHBondContact O-N 3.45Å; I22-S25 PolarHBondContact O-OG 3.35Å; I22-V26 HydrophobicContact CG2-CG2 4.41Å; I22-V26 WeakPolarHBondContact O-CB 3.33Å; I22-V26 VanDerWaalsContact O-CG2 3.27Å; I22-V26 WeakPolarHBondContact O-CG2 3.27Å; I22-V26 PolarHBondContact O-N 3.35Å
23	C	62.3	Low	63.3	Low	70 Å²	70	85.8 Å²	85.8	47%	0.473	50%	0.5	S	S	.	.	H	α-helix	trans	-63.8	-37.2	174.6	-76.7	0	0	0	0	111.9	I19 G20 V27	I19-C23 WeakPolarHBondContact O-CB 3.16Å; I19-C23 PolarHBondContact O-N 2.94Å; I19-C23 PolarHBondContact O-SG 3.47Å; I19-C23 VanDerWaalsContact O-SG 3.39Å; G20-C23 PolarHBondContact O-N 2.95Å; C23-V27 VanDerWaalsContact O-CB 3.31Å; C23-V27 WeakPolarHBondContact O-CB 3.47Å; C23-V27 WeakPolarHBondContact O-CG2 3.34Å; C23-V27 PolarHBondContact O-N 2.9Å
24	A	60.9	Low	61.6	Low	61 Å²	61	90.3 Å²	90.3	50%	0.504	51%	0.511	S	S	.	.	H	α-helix	trans	-66.3	-42.2	176.6	0	0	0	0	0	111.9	G20 A21 I22 L28	G20-A24 WeakPolarHBondContact O-CB 3.31Å; G20-A24 PolarHBondContact O-N 3.24Å; A21-A24 PolarHBondContact O-N 3.38Å; I22-A24 VanDerWaalsContact C-N 3.31Å; I22-A24 PolarHBondContact O-N 2.98Å; A24-L28 WeakPolarHBondContact O-CB 3.36Å; A24-L28 PolarHBondContact O-N 2.63Å
25	S	55.1	Low	60.1	Low	66 Å²	66	92.8 Å²	92.8	46%	0.462	52%	0.52	S	S	.	.	H	α-helix	trans	-66.1	-44.9	176.5	83.7	0	0	0	0	111.1	A21 I22 V27 L28 T29	A21-S25 PolarHBondContact O-N 2.88Å; I22-S25 PolarHBondContact O-N 3.45Å; I22-S25 PolarHBondContact O-OG 3.35Å; S25-V27 PolarHBondContact O-N 3.39Å; S25-L28 PolarHBondContact O-N 3.44Å; S25-L28 VanDerWaalsContact O-N 3.17Å; S25-T29 PolarHBondContact O-N 2.91Å; S25-T29 PolarHBondContact O-OG1 2.82Å
26	V	59.9	Low	58.5	Low	69 Å²	69	97.4 Å²	97.4	42%	0.418	54%	0.54	S	S	.	.	H	α-helix	trans	-64.4	-39.5	178.6	174	0	0	0	0	111.8	I22 T29 I30	I22-V26 HydrophobicContact CG2-CG2 4.41Å; I22-V26 WeakPolarHBondContact O-CB 3.33Å; I22-V26 VanDerWaalsContact O-CG2 3.27Å; I22-V26 WeakPolarHBondContact O-CG2 3.27Å; I22-V26 PolarHBondContact O-N 3.35Å; V26-T29 PolarHBondContact O-N 2.96Å; V26-I30 HydrophobicContact CG1-CD1 3.69Å; V26-I30 HydrophobicContact CG1-CG1 4.37Å; V26-I30 WeakPolarHBondContact O-CB 3.2Å; V26-I30 WeakPolarHBondContact O-CG1 3.41Å; V26-I30 PolarHBondContact O-N 3.17Å
27	V	60.8	Low	56.7	Low	84 Å²	84	101 Å²	101	51%	0.509	55%	0.552	S	S	.	*	H	α-helix	trans	-67.2	-38.2	175.3	171.7	0	0	0	0	111	C23 S25 I30 F31	C23-V27 VanDerWaalsContact O-CB 3.31Å; C23-V27 WeakPolarHBondContact O-CB 3.47Å; C23-V27 WeakPolarHBondContact O-CG2 3.34Å; C23-V27 PolarHBondContact O-N 2.9Å; S25-V27 PolarHBondContact O-N 3.39Å; V27-I30 PolarHBondContact O-N 2.9Å; V27-F31 HydrophobicContact CG1-CD2 4.32Å; V27-F31 WeakPolarHBondContact O-CB 3.39Å; V27-F31 PolarHBondContact O-N 3.43Å
28	L	52.1	Low	54.8	Low	120 Å²	120	99.6 Å²	99.6	63%	0.628	55%	0.551	S	S	*	*	H	α-helix	trans	-65.5	-41.1	176.3	-148.9	79.6	0	0	0	111.4	A24 S25 F31 L32	A24-L28 WeakPolarHBondContact O-CB 3.36Å; A24-L28 PolarHBondContact O-N 2.63Å; S25-L28 PolarHBondContact O-N 3.44Å; S25-L28 VanDerWaalsContact O-N 3.17Å; L28-F31 PolarHBondContact O-N 2.99Å; L28-L32 WeakPolarHBondContact O-CB 3.33Å; L28-L32 PolarHBondContact O-N 2.81Å
29	T	51.2	Low	53	Low	85 Å²	85	101.9 Å²	101.9	52%	0.521	56%	0.561	S	S	.	*	H	α-helix	trans	-66.5	-40.9	175.4	-35.3	0	0	0	0	111.4	S25 V26 L32 V33	S25-T29 PolarHBondContact O-N 2.91Å; S25-T29 PolarHBondContact O-OG1 2.82Å; V26-T29 PolarHBondContact O-N 2.96Å; T29-L32 PolarHBondContact O-N 2.64Å; T29-V33 WeakPolarHBondContact O-CB 3.48Å; T29-V33 VanDerWaalsContact O-CG2 3.24Å; T29-V33 WeakPolarHBondContact O-CG2 3.35Å; T29-V33 PolarHBondContact O-N 3.33Å
30	I	54.2	Low	50.9	Low	85 Å²	85	103.6 Å²	103.6	44%	0.436	58%	0.576	S	S	.	*	H	α-helix	trans	-67.9	-36.1	175.8	-67.8	168.2	0	0	0	111.3	V26 V27 V33 R34	V26-I30 HydrophobicContact CG1-CD1 3.69Å; V26-I30 HydrophobicContact CG1-CG1 4.37Å; V26-I30 WeakPolarHBondContact O-CB 3.2Å; V26-I30 WeakPolarHBondContact O-CG1 3.41Å; V26-I30 PolarHBondContact O-N 3.17Å; V27-I30 PolarHBondContact O-N 2.9Å; I30-V33 PolarHBondContact O-N 3.28Å; I30-R34 WeakPolarHBondContact O-CB 3.03Å; I30-R34 PolarHBondContact O-N 2.76Å
31	F	47.2	Very low	49.2	Very low	133 Å²	133	109.3 Å²	109.3	58%	0.583	60%	0.598	S	S	*	*	H	α-helix	trans	-68.2	-41.7	176.2	-119.7	-88.6	0	0	0	111.6	V27 L28 R34 H35	V27-F31 HydrophobicContact CG1-CD2 4.32Å; V27-F31 WeakPolarHBondContact O-CB 3.39Å; V27-F31 PolarHBondContact O-N 3.43Å; L28-F31 PolarHBondContact O-N 2.99Å; F31-R34 PolarHBondContact O-N 3.2Å; F31-H35 WeakPolarHBondContact O-CB 3.43Å; F31-H35 PolarHBondContact O-N 3.28Å
32	L	46.7	Very low	47.6	Very low	110 Å²	110	113 Å²	113	58%	0.576	61%	0.608	S	S	*	*	H	α-helix	trans	-62.7	-41.7	174.1	-85.4	156.8	0	0	0	111.6	L28 T29 H35 L36	L28-L32 WeakPolarHBondContact O-CB 3.33Å; L28-L32 PolarHBondContact O-N 2.81Å; T29-L32 PolarHBondContact O-N 2.64Å; L32-H35 PolarHBondContact O-N 3.02Å; L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 2.71Å
33	V	46.5	Very low	46.1	Very low	90 Å²	90	116.9 Å²	116.9	55%	0.545	62%	0.624	S	S	.	*	H	α-helix	trans	-69.4	-34.2	176.7	173.8	0	0	0	0	112.4	T29 I30	T29-V33 WeakPolarHBondContact O-CB 3.48Å; T29-V33 VanDerWaalsContact O-CG2 3.24Å; T29-V33 WeakPolarHBondContact O-CG2 3.35Å; T29-V33 PolarHBondContact O-N 3.33Å; I30-V33 PolarHBondContact O-N 3.28Å
34	R	46.7	Very low	44.6	Very low	189 Å²	189	121.5 Å²	121.5	71%	0.713	64%	0.644	S	S	*	*	H	α-helix	trans	-76.5	-34.3	175.4	-89.6	-176.7	168.1	156.5	-1.5	113.2	I30 F31 L36 K37	I30-R34 WeakPolarHBondContact O-CB 3.03Å; I30-R34 PolarHBondContact O-N 2.76Å; F31-R34 PolarHBondContact O-N 3.2Å; R34-L36 VanDerWaalsContact C-N 3.28Å; R34-L36 PolarHBondContact O-N 3.47Å; R34-K37 PolarHBondContact O-N 3.35Å; R34-K37 VanDerWaalsContact O-N 3.09Å
35	H	43.1	Very low	43.1	Very low	127 Å²	127	127 Å²	127	59%	0.588	66%	0.664	S	S	*	*	H	α-helix	trans	-70	-28.7	178.6	-122.1	-40.9	0	0	0	112.5	F31 L32 K37	F31-H35 WeakPolarHBondContact O-CB 3.43Å; F31-H35 PolarHBondContact O-N 3.28Å; L32-H35 PolarHBondContact O-N 3.02Å; H35-K37 VanDerWaalsContact C-N 3.25Å; H35-K37 PolarHBondContact O-N 3.39Å
36	L	40.1	Very low	42.2	Very low	151 Å²	151	129.3 Å²	129.3	79%	0.791	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-14.5	171.6	-72.3	166.4	0	0	0	113.4	L32 R34	L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 2.71Å; R34-L36 VanDerWaalsContact C-N 3.28Å; R34-L36 PolarHBondContact O-N 3.47Å
37	K	39.9	Very low	41.2	Very low	184 Å²	184	131.8 Å²	131.8	80%	0.8	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	0.4	-174.1	-128.1	172.7	-174.8	174.3	0	115.2	R34 H35	R34-K37 PolarHBondContact O-N 3.35Å; R34-K37 VanDerWaalsContact O-N 3.09Å; H35-K37 VanDerWaalsContact C-N 3.25Å; H35-K37 PolarHBondContact O-N 3.39Å
38	S	38.7	Very low	40.2	Very low	83 Å²	83	131 Å²	131	58%	0.58	70%	0.695	S	S	*	*	S	Bend	trans	-116	3	-174.5	98	0	0	0	0	116.3
39	N	33	Very low	39.8	Very low	129 Å²	129	129.2 Å²	129.2	69%	0.69	69%	0.689	S	S	*	*	S	Bend	trans	-127.8	89	176.8	-89.7	-8.4	0	0	0	109.3
40	T	31.1	Very low	39.5	Very low	140 Å²	140	130 Å²	130	86%	0.859	70%	0.704	S	S	*	*			trans	161.7	94.7	136.3	41.8	0	0	0	0	109.3
41	N	34	Very low	39.1	Very low	158 Å²	158	128.6 Å²	128.6	85%	0.845	71%	0.705	S	S	*	*			trans	-88.2	140.1	154.6	-83.5	-24.7	0	0	0	107.7
42	N	30.9	Very low	39.1	Very low	141 Å²	141	126.5 Å²	126.5	75%	0.754	71%	0.705	S	S	*	*	S	Bend	trans	78	111	163.7	-67.1	-1	0	0	0	119
43	E	33	Very low	39.3	Very low	179 Å²	179	123.6 Å²	123.6	84%	0.836	69%	0.692	S	S	*	*	S	Bend	trans	76.7	125.2	140.8	-63	176.8	165.9	0	0	117.1
44	D	32.2	Very low	39.4	Very low	167 Å²	167	124.6 Å²	124.6	89%	0.893	69%	0.694	S	S	*	*			trans	76.6	76.9	-177.4	-59.6	-20.8	0	0	0	117.4
45	L	29.5	Very low	39.9	Very low	176 Å²	176	117.3 Å²	117.3	92%	0.921	67%	0.668	S	S	*	*			trans	-86.8	108.1	168.6	-81	162.2	0	0	0	111.4
46	S	34.8	Very low	40.2	Very low	115 Å²	115	115.9 Å²	115.9	80%	0.804	67%	0.668	S	S	*	*			trans	-156.1	135.6	155.1	-75.7	0	0	0	0	106.9
47	P	39.7	Very low	40.5	Very low	122 Å²	122	111.8 Å²	111.8	79%	0.792	65%	0.646	S	S	*	*	S	Bend	cis	-131.3	-157.5	10.9	47.5	-28.5	0	0	0	111.3
48	P	39.2	Very low	41.1	Very low	66 Å²	66	104 Å²	104	43%	0.429	61%	0.613	S	S	.	*			trans	-70.8	153	-145	9.8	14.4	0	0	0	114.1	A50 A72	P48-A50 PolarHBondContact O-N 3.28Å; P48-A72 HydrophobicContact CB-CB 4.45Å; P48-A72 HydrophobicContact CG-CB 4.46Å
49	T	43.2	Very low	41.7	Very low	83 Å²	83	106.6 Å²	106.6	51%	0.509	61%	0.614	S	S	.	*			trans	-61.1	125.8	176.5	0.4	0	0	0	0	111.4	A51	T49-A51 VanDerWaalsContact C-N 3.27Å; T49-A51 PolarHBondContact O-N 2.87Å
50	A	45.9	Very low	42.6	Very low	102 Å²	102	107 Å²	107	84%	0.843	61%	0.612	S	S	*	*			trans	-84	11.2	178.3	0	0	0	0	0	114.2	P48	P48-A50 PolarHBondContact O-N 3.28Å
51	A	46.7	Very low	43.3	Very low	55 Å²	55	103.3 Å²	103.3	46%	0.455	59%	0.59	S	S	.	*	S	Bend	trans	-114.9	139.9	-176	0	0	0	0	0	111.3	T49 A73	T49-A51 VanDerWaalsContact C-N 3.27Å; T49-A51 PolarHBondContact O-N 2.87Å; A51-A73 VanDerWaalsContact O-CB 3.26Å; A51-A73 WeakPolarHBondContact O-CB 3.25Å
52	P	46.5	Very low	43.9	Very low	89 Å²	89	97.3 Å²	97.3	58%	0.578	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-63.3	143.1	-179.7	23.4	-31.1	0	0	0	112.1	P74	P52-P74 WeakPolarHBondContact CA-O 3.24Å; P52-P74 HydrophobicContact CB-CG 4.26Å; P52-P74 VanDerWaalsContact CB-O 3.24Å; P52-P74 WeakPolarHBondContact CB-O 3.47Å
53	V	51.5	Low	44.6	Very low	50 Å²	50	96.6 Å²	96.6	30%	0.303	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.2	177.2	179.8	0	0	0	0	108.6	I55 T71 P74 V75 L76	V53-I55 HydrophobicContact CG1-CG1 4.29Å; V53-T71 HydrophobicContact CG2-CG2 3.79Å; V53-P74 PolarHBondContact N-O 2.65Å; V53-P74 VanDerWaalsContact N-O 3.14Å; V53-V75 HydrophobicContact CB-CG2 4.44Å; V53-V75 CarbonylContact O-C 3.53Å; V53-V75 WeakPolarHBondContact O-CA 3.39Å; V53-L76 PolarHBondContact O-N 3.36Å
54	L	48.1	Very low	44.9	Very low	111 Å²	111	93.1 Å²	93.1	58%	0.581	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.4	177.6	-173.3	74.7	0	0	0	109.9	T56 L76 T78	L54-T56 HydrophobicContact CD2-CG2 4.44Å; L54-L76 CarbonylContact C-O 3.55Å; L54-L76 WeakPolarHBondContact CA-O 2.92Å; L54-L76 HydrophobicContact CD1-CB 4Å; L54-L76 HydrophobicContact CD1-CD2 3.36Å; L54-L76 HydrophobicContact CD1-CG 4.28Å; L54-T78 HydrophobicContact CD1-CG2 4.08Å
55	I	56.5	Low	45.9	Very low	35 Å²	35	93.6 Å²	93.6	18%	0.179	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.3	174.1	-57.4	179.5	0	0	0	108.3	V53 V58 V75 L76 I77 T78	V53-I55 HydrophobicContact CG1-CG1 4.29Å; I55-V58 HydrophobicContact CG2-CG2 3.56Å; I55-V75 HydrophobicContact CD1-CG1 3.68Å; I55-V75 HydrophobicContact CG1-CG1 4.15Å; I55-L76 PolarHBondContact N-O 2.94Å; I55-I77 HydrophobicContact CB-CG1 4.24Å; I55-I77 HydrophobicContact CD1-CG1 4.29Å; I55-I77 CarbonylContact O-C 3.57Å; I55-I77 VanDerWaalsContact O-CA 3.32Å; I55-I77 WeakPolarHBondContact O-CA 3.17Å; I55-T78 PolarHBondContact O-N 2.65Å; I55-T78 PolarHBondContact O-OG1 3.25Å
56	T	49.3	Very low	46.9	Very low	97 Å²	97	90.8 Å²	90.8	60%	0.595	52%	0.519	S	S	*	.			trans	-81.1	-26.6	-170.5	49	0	0	0	0	114.9	L54 T78	L54-T56 HydrophobicContact CD2-CG2 4.44Å; T56-T78 WeakPolarHBondContact CA-OG1 3.05Å; T56-T78 PolarHBondContact O-OG1 3.43Å
57	E	47.8	Very low	47.6	Very low	66 Å²	66	86.9 Å²	86.9	31%	0.308	49%	0.489	S	S	.	.			trans	-163.4	121.8	-178.4	-159.2	-178.1	178.2	0	0	107.8	K59 K81	E57-K59 HydrophobicContact CG-CG 4.37Å; E57-K59 WeakPolarHBondContact OE1-CE 3.4Å; E57-K59 IonicContact OE1-NZ 3.44Å; E57-K59 PolarHBondContact OE1-NZ 2.85Å; E57-K59 WeakPolarHBondContact OE2-CE 3.38Å; E57-K59 IonicContact OE2-NZ 2.93Å; E57-K59 PolarHBondContact OE2-NZ 3.19Å; E57-K81 WeakPolarHBondContact OE1-CE 3.45Å; E57-K81 IonicContact OE1-NZ 2.65Å; E57-K81 PolarHBondContact OE1-NZ 3.31Å
58	V	52.7	Low	47.9	Very low	19 Å²	19	85.6 Å²	85.6	12%	0.115	48%	0.483	C	S	.	.	B	Isolated β-bridge	trans	-99	110.7	173.1	-178.6	0	0	0	0	108.1	I55 E60 V62 I77 E79	I55-V58 HydrophobicContact CG2-CG2 3.56Å; V58-E60 WeakPolarHBondContact CG1-O 3.1Å; V58-V62 HydrophobicContact CG1-CG2 4.31Å; V58-V62 HydrophobicContact CG2-CG2 4.4Å; V58-I77 HydrophobicContact CG2-CG2 3.71Å; V58-E79 PolarHBondContact N-O 3.44Å
59	K	51.2	Low	48.3	Very low	138 Å²	138	86.6 Å²	86.6	60%	0.6	49%	0.49	S	S	*	.	S	Bend	trans	-102.6	-19	177.1	-70.9	-176.1	-177.4	157.8	0	113.8	E57	E57-K59 HydrophobicContact CG-CG 4.37Å; E57-K59 WeakPolarHBondContact OE1-CE 3.4Å; E57-K59 IonicContact OE1-NZ 3.44Å; E57-K59 PolarHBondContact OE1-NZ 2.85Å; E57-K59 WeakPolarHBondContact OE2-CE 3.38Å; E57-K59 IonicContact OE2-NZ 2.93Å; E57-K59 PolarHBondContact OE2-NZ 3.19Å
60	E	50.3	Low	48.7	Very low	138 Å²	138	86.3 Å²	86.3	65%	0.645	49%	0.489	S	S	*	.	S	Bend	trans	-144.9	154.4	-179.5	-71.2	-171.1	-172.9	0	0	107.3	V58 V62	V58-E60 WeakPolarHBondContact CG1-O 3.1Å; E60-V62 PolarHBondContact O-N 2.83Å
61	P	45.7	Very low	48.8	Very low	62 Å²	62	82 Å²	82	40%	0.403	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-53.2	133.2	177.2	20	-32.4	0	0	0	111.6	K63 D88	P61-K63 PolarHBondContact O-N 2.93Å; P61-D88 HydrophobicContact CB-CB 4.17Å; P61-D88 VanDerWaalsContact CB-CG 3.44Å; P61-D88 WeakPolarHBondContact CB-OD1 3.42Å
62	V	47.7	Very low	48.9	Very low	33 Å²	33	82.7 Å²	82.7	20%	0.2	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-68.4	119.3	179.5	-177.3	0	0	0	0	107.7	V58 E60 D66 L67	V58-V62 HydrophobicContact CG1-CG2 4.31Å; V58-V62 HydrophobicContact CG2-CG2 4.4Å; E60-V62 PolarHBondContact O-N 2.83Å; V62-D66 HydrophobicContact CG1-CB 3.85Å; V62-L67 HydrophobicContact CG1-CD1 3.84Å; V62-L67 HydrophobicContact CG1-CG 3.89Å
63	K	44.8	Very low	49.2	Very low	125 Å²	125	78.8 Å²	78.8	54%	0.543	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-87.3	153.1	-176.1	-68.1	178.1	-177.2	167.3	0	110.1	P61 E65 D66	P61-K63 PolarHBondContact O-N 2.93Å; K63-E65 PolarHBondContact O-N 3.49Å; K63-D66 PolarHBondContact N-OD2 3.46Å; K63-D66 WeakPolarHBondContact O-CB 3.13Å; K63-D66 PolarHBondContact O-N 2.84Å
64	D	40.3	Very low	49.2	Very low	107 Å²	107	79 Å²	79	57%	0.572	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-42.7	-34.9	178.8	-85.9	-30.7	0	0	0	114.5	D66 L67	D64-D66 PolarHBondContact O-N 3.09Å; D64-L67 PolarHBondContact O-N 3.44Å
65	E	51.5	Low	49.5	Very low	177 Å²	177	74 Å²	74	83%	0.827	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-67.5	-20.4	-177.9	-63.7	169.9	-175.6	0	0	112.7	K63	K63-E65 PolarHBondContact O-N 3.49Å
66	D	51.3	Low	49.3	Very low	116 Å²	116	74.8 Å²	74.8	62%	0.62	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-90.4	-17.2	-176.5	-60.5	-42	0	0	0	113.5	V62 K63 D64	V62-D66 HydrophobicContact CG1-CB 3.85Å; K63-D66 PolarHBondContact N-OD2 3.46Å; K63-D66 WeakPolarHBondContact O-CB 3.13Å; K63-D66 PolarHBondContact O-N 2.84Å; D64-D66 PolarHBondContact O-N 3.09Å
67	L	50.6	Low	49.7	Very low	33 Å²	33	70.5 Å²	70.5	17%	0.173	39%	0.388	C	S	.	.	S	Bend	trans	-116.8	11.5	-175.3	-69.4	172.3	0	0	0	114.2	V62 D64 P69	V62-L67 HydrophobicContact CG1-CD1 3.84Å; V62-L67 HydrophobicContact CG1-CG 3.89Å; D64-L67 PolarHBondContact O-N 3.44Å; L67-P69 CarbonylContact O-C 3.52Å
68	S	45.9	Very low	50.1	Low	96 Å²	96	69.4 Å²	69.4	67%	0.671	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-92.9	127	174.2	-93.9	0	0	0	0	112.3
69	P	47.5	Very low	50	Low	86 Å²	86	70.2 Å²	70.2	56%	0.558	39%	0.388	S	S	*	.	S	Bend	cis	-83.1	154.7	0.4	34	-32.1	0	0	0	112.3	L67 T71	L67-P69 CarbonylContact O-C 3.52Å; P69-T71 PolarHBondContact O-N 3.33Å
70	P	50.2	Low	50.3	Low	77 Å²	77	64 Å²	64	50%	0.5	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-54.8	126.1	179.9	19.5	-30.9	0	0	0	111.4
71	T	48.6	Very low	50.5	Low	13 Å²	13	61.5 Å²	61.5	8%	0.08	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-82.3	135.5	-178.5	39.7	0	0	0	0	112	V53 P69 A73	V53-T71 HydrophobicContact CG2-CG2 3.79Å; P69-T71 PolarHBondContact O-N 3.33Å; T71-A73 PolarHBondContact O-N 2.87Å
72	A	50	Low	50.9	Low	69 Å²	69	64.9 Å²	64.9	57%	0.57	36%	0.359	S	S	*	.	S	Bend	trans	-80.2	-1.9	170.1	0	0	0	0	0	112.8	P48	P48-A72 HydrophobicContact CB-CB 4.45Å; P48-A72 HydrophobicContact CG-CB 4.46Å
73	A	52.5	Low	51	Low	7 Å²	7	65.7 Å²	65.7	6%	0.058	37%	0.365	C	S	.	.	S	Bend	trans	-108.6	151.4	-179.6	0	0	0	0	0	110.9	A51 T71 A95	A51-A73 VanDerWaalsContact O-CB 3.26Å; A51-A73 WeakPolarHBondContact O-CB 3.25Å; T71-A73 PolarHBondContact O-N 2.87Å; A73-A95 VanDerWaalsContact C-CB 3.41Å; A73-A95 WeakPolarHBondContact O-CB 3.23Å
74	P	50.7	Low	51.2	Low	54 Å²	54	61.8 Å²	61.8	35%	0.351	35%	0.351	S	S	.	.			trans	-62.4	146.6	-176.5	19.8	-28	0	0	0	112.7	P52 V53 P96	P52-P74 WeakPolarHBondContact CA-O 3.24Å; P52-P74 HydrophobicContact CB-CG 4.26Å; P52-P74 VanDerWaalsContact CB-O 3.24Å; P52-P74 WeakPolarHBondContact CB-O 3.47Å; V53-P74 PolarHBondContact N-O 2.65Å; V53-P74 VanDerWaalsContact N-O 3.14Å; P74-P96 WeakPolarHBondContact CA-O 3.48Å; P74-P96 HydrophobicContact CB-CG 4.3Å; P74-P96 VanDerWaalsContact CB-O 3.26Å; P74-P96 WeakPolarHBondContact CB-O 3.24Å
75	V	53.5	Low	51.7	Low	6 Å²	6	61.9 Å²	61.9	4%	0.036	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.8	174.4	-177.6	0	0	0	0	107.9	V53 I55 I77 T93 P96 V97 L98	V53-V75 HydrophobicContact CB-CG2 4.44Å; V53-V75 CarbonylContact O-C 3.53Å; V53-V75 WeakPolarHBondContact O-CA 3.39Å; I55-V75 HydrophobicContact CD1-CG1 3.68Å; I55-V75 HydrophobicContact CG1-CG1 4.15Å; V75-I77 HydrophobicContact CG1-CG1 4.23Å; V75-T93 HydrophobicContact CG2-CG2 4.39Å; V75-P96 PolarHBondContact N-O 3.47Å; V75-V97 HydrophobicContact CB-CG2 4.49Å; V75-V97 CarbonylContact O-C 2.98Å; V75-V97 WeakPolarHBondContact O-CA 3.24Å; V75-L98 PolarHBondContact O-N 2.97Å
76	L	52.2	Low	51.4	Low	52 Å²	52	56.1 Å²	56.1	27%	0.272	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.7	-178.2	-154.5	115.3	0	0	0	109.2	V53 L54 I55 T78 L98 T100	V53-L76 PolarHBondContact O-N 3.36Å; L54-L76 CarbonylContact C-O 3.55Å; L54-L76 WeakPolarHBondContact CA-O 2.92Å; L54-L76 HydrophobicContact CD1-CB 4Å; L54-L76 HydrophobicContact CD1-CD2 3.36Å; L54-L76 HydrophobicContact CD1-CG 4.28Å; I55-L76 PolarHBondContact N-O 2.94Å; L76-T78 HydrophobicContact CD2-CG2 4.35Å; L76-L98 CarbonylContact C-O 3.53Å; L76-L98 HydrophobicContact CD1-CB 3.88Å; L76-L98 HydrophobicContact CD1-CD2 3.72Å; L76-L98 HydrophobicContact CD1-CG 4.4Å; L76-L98 HydrophobicContact CG-CB 4.15Å; L76-L98 HydrophobicContact CG-CD2 4.44Å; L76-T100 HydrophobicContact CD2-CG2 4.36Å
77	I	58.2	Low	51.4	Low	7 Å²	7	58.3 Å²	58.3	4%	0.036	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.7	178.7	-53.7	176.6	0	0	0	108.7	I55 V58 V75 V80 V97 L98 I99 T100	I55-I77 HydrophobicContact CB-CG1 4.24Å; I55-I77 HydrophobicContact CD1-CG1 4.29Å; I55-I77 CarbonylContact O-C 3.57Å; I55-I77 VanDerWaalsContact O-CA 3.32Å; I55-I77 WeakPolarHBondContact O-CA 3.17Å; V58-I77 HydrophobicContact CG2-CG2 3.71Å; V75-I77 HydrophobicContact CG1-CG1 4.23Å; I77-V80 HydrophobicContact CB-CG2 4.42Å; I77-V80 HydrophobicContact CG2-CG2 3.53Å; I77-V97 HydrophobicContact CD1-CG1 3.75Å; I77-V97 HydrophobicContact CG1-CG1 4.24Å; I77-L98 PolarHBondContact N-O 3.44Å; I77-I99 HydrophobicContact CB-CG1 4.38Å; I77-I99 HydrophobicContact CD1-CG1 4.38Å; I77-I99 CarbonylContact O-C 3.57Å; I77-I99 WeakPolarHBondContact O-CA 3.28Å; I77-T100 PolarHBondContact O-N 3.46Å
78	T	56.5	Low	51.4	Low	42 Å²	42	58.4 Å²	58.4	26%	0.258	33%	0.328	S	S	.	.	S	Bend	trans	-83.1	-28	-174.1	54.2	0	0	0	0	114.9	L54 I55 T56 L76 T100 E101	L54-T78 HydrophobicContact CD1-CG2 4.08Å; I55-T78 PolarHBondContact O-N 2.65Å; I55-T78 PolarHBondContact O-OG1 3.25Å; T56-T78 WeakPolarHBondContact CA-OG1 3.05Å; T56-T78 PolarHBondContact O-OG1 3.43Å; L76-T78 HydrophobicContact CD2-CG2 4.35Å; T78-T100 VanDerWaalsContact C-OG1 3.25Å; T78-T100 WeakPolarHBondContact CA-OG1 3.36Å; T78-T100 PolarHBondContact O-OG1 3.43Å; T78-E101 PolarHBondContact O-N 2.71Å
79	E	51.7	Low	51.5	Low	37 Å²	37	55.5 Å²	55.5	17%	0.173	31%	0.305	C	S	.	.			trans	-150.4	123.7	-179.2	-160.5	-176.4	159.6	0	0	110.2	V58 K81 K103	V58-E79 PolarHBondContact N-O 3.44Å; E79-K81 WeakPolarHBondContact OE1-CE 3.49Å; E79-K81 IonicContact OE1-NZ 3.91Å; E79-K103 VanDerWaalsContact OE1-CE 3.24Å; E79-K103 WeakPolarHBondContact OE1-CE 3.39Å; E79-K103 IonicContact OE1-NZ 2.63Å; E79-K103 PolarHBondContact OE1-NZ 2.86Å
80	V	56	Low	51.3	Low	6 Å²	6	54.7 Å²	54.7	4%	0.036	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-113	116.5	176.5	174.8	0	0	0	0	108.8	I77 E82 V84 I99 E101 K103	I77-V80 HydrophobicContact CB-CG2 4.42Å; I77-V80 HydrophobicContact CG2-CG2 3.53Å; V80-E82 WeakPolarHBondContact CG1-O 3.38Å; V80-V84 HydrophobicContact CG1-CG2 3.9Å; V80-V84 HydrophobicContact CG2-CG2 4.23Å; V80-I99 HydrophobicContact CB-CG2 4.14Å; V80-I99 HydrophobicContact CG2-CD1 4.33Å; V80-I99 HydrophobicContact CG2-CG1 4.34Å; V80-I99 HydrophobicContact CG2-CG2 3.53Å; V80-E101 PolarHBondContact N-O 2.86Å; V80-E101 VanDerWaalsContact N-O 3.1Å; V80-K103 PolarHBondContact O-N 3.37Å
81	K	55.9	Low	51.1	Low	86 Å²	86	54.3 Å²	54.3	37%	0.374	30%	0.299	S	S	.	.	S	Bend	trans	-96.5	-17	-178.9	-75.3	-177.6	174.9	170.5	0	114.4	E57 E79	E57-K81 WeakPolarHBondContact OE1-CE 3.45Å; E57-K81 IonicContact OE1-NZ 2.65Å; E57-K81 PolarHBondContact OE1-NZ 3.31Å; E79-K81 WeakPolarHBondContact OE1-CE 3.49Å; E79-K81 IonicContact OE1-NZ 3.91Å
82	E	54	Low	51.1	Low	133 Å²	133	58.2 Å²	58.2	62%	0.621	33%	0.325	S	S	*	.	S	Bend	trans	-136.8	148.5	174.9	-69.8	-167	173.4	0	0	109	V80 V84	V80-E82 WeakPolarHBondContact CG1-O 3.38Å; E82-V84 PolarHBondContact O-N 3Å
83	P	48.9	Very low	51.1	Low	51 Å²	51	55.8 Å²	55.8	33%	0.331	30%	0.303	S	S	.	.			trans	-56	125.9	-179.5	20.5	-30.9	0	0	0	111.3	K85	P83-K85 PolarHBondContact O-N 3.38Å
84	V	50.1	Low	50.8	Low	42 Å²	42	60.2 Å²	60.2	26%	0.255	34%	0.34	S	S	.	.			trans	-69.9	115.6	173	-178.3	0	0	0	0	107.3	V80 E82 D88 L89	V80-V84 HydrophobicContact CG1-CG2 3.9Å; V80-V84 HydrophobicContact CG2-CG2 4.23Å; E82-V84 PolarHBondContact O-N 3Å; V84-D88 HydrophobicContact CG1-CB 4.46Å; V84-L89 HydrophobicContact CG1-CD1 3.89Å; V84-L89 HydrophobicContact CG1-CD2 4.39Å; V84-L89 HydrophobicContact CG1-CG 3.94Å
85	K	50	Low	50.8	Low	110 Å²	110	57.9 Å²	57.9	48%	0.478	33%	0.325	S	S	.	.			trans	-84.4	148.5	175.2	-64	178.7	-179.5	176.8	0	108.9	P83 E87 D88	P83-K85 PolarHBondContact O-N 3.38Å; K85-E87 HydrophobicContact CB-CB 4.4Å; K85-E87 PolarHBondContact O-N 3.16Å; K85-E87 VanDerWaalsContact O-N 3.14Å; K85-D88 WeakPolarHBondContact CB-OD2 3.28Å; K85-D88 PolarHBondContact N-OD2 3.28Å; K85-D88 WeakPolarHBondContact O-CA 3.29Å; K85-D88 WeakPolarHBondContact O-CB 3.08Å; K85-D88 PolarHBondContact O-N 2.66Å
86	D	45.9	Very low	50.6	Low	56 Å²	56	59.8 Å²	59.8	30%	0.299	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-60	-26.5	177.8	-138.7	23	0	0	0	112.3	D88 L89 T115	D86-D88 PolarHBondContact O-N 2.78Å; D86-L89 PolarHBondContact O-N 3.12Å; D86-L89 VanDerWaalsContact O-N 3.11Å; D86-T115 WeakPolarHBondContact OD1-CG2 3.38Å
87	E	50.9	Low	50.5	Low	162 Å²	162	57.8 Å²	57.8	76%	0.757	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-59.3	-25.6	170.3	-60.9	169	-167	0	0	112.9	K85	K85-E87 HydrophobicContact CB-CB 4.4Å; K85-E87 PolarHBondContact O-N 3.16Å; K85-E87 VanDerWaalsContact O-N 3.14Å
88	D	49.8	Very low	50.1	Low	34 Å²	34	57.7 Å²	57.7	18%	0.182	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-88	-4.1	179.7	-49.4	-37.9	0	0	0	112.5	P61 V84 K85 D86	P61-D88 HydrophobicContact CB-CB 4.17Å; P61-D88 VanDerWaalsContact CB-CG 3.44Å; P61-D88 WeakPolarHBondContact CB-OD1 3.42Å; V84-D88 HydrophobicContact CG1-CB 4.46Å; K85-D88 WeakPolarHBondContact CB-OD2 3.28Å; K85-D88 PolarHBondContact N-OD2 3.28Å; K85-D88 WeakPolarHBondContact O-CA 3.29Å; K85-D88 WeakPolarHBondContact O-CB 3.08Å; K85-D88 PolarHBondContact O-N 2.66Å; D86-D88 PolarHBondContact O-N 2.78Å
89	L	47.5	Very low	50.1	Low	35 Å²	35	56.3 Å²	56.3	18%	0.183	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-118.2	25.5	-177.6	-67.3	174.9	0	0	0	113.2	V84 D86 P91	V84-L89 HydrophobicContact CG1-CD1 3.89Å; V84-L89 HydrophobicContact CG1-CD2 4.39Å; V84-L89 HydrophobicContact CG1-CG 3.94Å; D86-L89 PolarHBondContact O-N 3.12Å; D86-L89 VanDerWaalsContact O-N 3.11Å; L89-P91 CarbonylContact O-C 3.6Å
90	S	44.1	Very low	50.2	Low	69 Å²	69	56.5 Å²	56.5	48%	0.483	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-85.4	137.3	168.8	-107.4	0	0	0	0	111.4
91	P	46.3	Very low	49.9	Very low	70 Å²	70	58 Å²	58	46%	0.455	33%	0.328	S	S	.	.	S	Bend	cis	-75.6	152	-10.2	32.7	-31.2	0	0	0	110.9	L89 T93	L89-P91 CarbonylContact O-C 3.6Å; P91-T93 PolarHBondContact O-N 3.49Å; P91-T93 VanDerWaalsContact O-N 3.14Å
92	P	49.2	Very low	49.9	Very low	94 Å²	94	54.5 Å²	54.5	61%	0.61	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-53.6	122	-177	19.3	-31.1	0	0	0	111.2	A94	P92-A94 PolarHBondContact O-N 2.73Å
93	T	48.4	Very low	49.9	Very low	19 Å²	19	53 Å²	53	12%	0.117	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-65.2	131.1	174	41.2	0	0	0	0	109.6	V75 P91 A95	V75-T93 HydrophobicContact CG2-CG2 4.39Å; P91-T93 PolarHBondContact O-N 3.49Å; P91-T93 VanDerWaalsContact O-N 3.14Å; T93-A95 PolarHBondContact O-N 2.89Å; T93-A95 VanDerWaalsContact O-N 3.13Å; T93-A95 PolarHBondContact OG1-O 2.97Å
94	A	47.7	Very low	49.9	Very low	100 Å²	100	56.3 Å²	56.3	83%	0.826	32%	0.316	S	S	*	.	S	Bend	trans	-69.5	-3.4	174.2	0	0	0	0	0	113.2	P92	P92-A94 PolarHBondContact O-N 2.73Å
95	A	49.6	Very low	49.6	Very low	4 Å²	4	57.8 Å²	57.8	3%	0.033	33%	0.326	C	S	.	.	S	Bend	trans	-120	150.3	-179	0	0	0	0	0	110.8	A73 T93	A73-A95 VanDerWaalsContact C-CB 3.41Å; A73-A95 WeakPolarHBondContact O-CB 3.23Å; T93-A95 PolarHBondContact O-N 2.89Å; T93-A95 VanDerWaalsContact O-N 3.13Å; T93-A95 PolarHBondContact OG1-O 2.97Å
96	P	49.2	Very low	49.4	Very low	47 Å²	47	54.2 Å²	54.2	31%	0.305	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-62.6	145.1	179.7	22.2	-29.9	0	0	0	112.1	P74 V75 P118	P74-P96 WeakPolarHBondContact CA-O 3.48Å; P74-P96 HydrophobicContact CB-CG 4.3Å; P74-P96 VanDerWaalsContact CB-O 3.26Å; P74-P96 WeakPolarHBondContact CB-O 3.24Å; V75-P96 PolarHBondContact N-O 3.47Å; P96-P118 HydrophobicContact CB-CG 4.32Å; P96-P118 WeakPolarHBondContact CB-O 3.42Å
97	V	49.9	Very low	49.3	Very low	9 Å²	9	57.6 Å²	57.6	6%	0.055	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.8	172.1	-178.1	0	0	0	0	107.9	V75 I77 I99 V119 L120	V75-V97 HydrophobicContact CB-CG2 4.49Å; V75-V97 CarbonylContact O-C 2.98Å; V75-V97 WeakPolarHBondContact O-CA 3.24Å; I77-V97 HydrophobicContact CD1-CG1 3.75Å; I77-V97 HydrophobicContact CG1-CG1 4.24Å; V97-I99 HydrophobicContact CG1-CG1 4.41Å; V97-V119 WeakPolarHBondContact O-CA 3.35Å; V97-L120 PolarHBondContact O-N 3.11Å
98	L	50.9	Low	48.8	Very low	6 Å²	6	54.5 Å²	54.5	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.7	176.2	-131.1	92.7	0	0	0	110.2	V75 L76 I77 L120 T122 L149	V75-L98 PolarHBondContact O-N 2.97Å; L76-L98 CarbonylContact C-O 3.53Å; L76-L98 HydrophobicContact CD1-CB 3.88Å; L76-L98 HydrophobicContact CD1-CD2 3.72Å; L76-L98 HydrophobicContact CD1-CG 4.4Å; L76-L98 HydrophobicContact CG-CB 4.15Å; L76-L98 HydrophobicContact CG-CD2 4.44Å; I77-L98 PolarHBondContact N-O 3.44Å; L98-L120 CarbonylContact C-O 3.55Å; L98-L120 WeakPolarHBondContact CA-O 3.44Å; L98-L120 HydrophobicContact CD1-CB 3.69Å; L98-L120 HydrophobicContact CD1-CD1 3.9Å; L98-L120 HydrophobicContact CD1-CG 4.42Å; L98-L120 HydrophobicContact CG-CB 4.13Å; L98-T122 HydrophobicContact CD2-CG2 3.95Å; L98-L149 HydrophobicContact CD1-CD1 3.19Å; L98-L149 HydrophobicContact CD2-CD1 3.32Å; L98-L149 HydrophobicContact CD2-CD2 3.57Å; L98-L149 HydrophobicContact CD2-CG 4.07Å; L98-L149 HydrophobicContact CG-CD1 3.83Å
99	I	56.3	Low	48.8	Very low	12 Å²	12	60.6 Å²	60.6	6%	0.062	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.7	175.5	-57.7	172.3	0	0	0	108.2	I77 V80 V97 V102 V119 L120 I121 T122	I77-I99 HydrophobicContact CB-CG1 4.38Å; I77-I99 HydrophobicContact CD1-CG1 4.38Å; I77-I99 CarbonylContact O-C 3.57Å; I77-I99 WeakPolarHBondContact O-CA 3.28Å; V80-I99 HydrophobicContact CB-CG2 4.14Å; V80-I99 HydrophobicContact CG2-CD1 4.33Å; V80-I99 HydrophobicContact CG2-CG1 4.34Å; V80-I99 HydrophobicContact CG2-CG2 3.53Å; V97-I99 HydrophobicContact CG1-CG1 4.41Å; I99-V102 HydrophobicContact CB-CG2 4.44Å; I99-V102 HydrophobicContact CG2-CG2 3.52Å; I99-V119 HydrophobicContact CD1-CG1 3.77Å; I99-V119 HydrophobicContact CG1-CG1 4.39Å; I99-L120 PolarHBondContact N-O 3.01Å; I99-I121 HydrophobicContact CB-CG1 4.38Å; I99-I121 WeakPolarHBondContact O-CA 3.43Å; I99-T122 PolarHBondContact O-N 3.47Å
100	T	53.7	Low	48.7	Very low	41 Å²	41	61.4 Å²	61.4	25%	0.252	35%	0.346	S	S	.	.	S	Bend	trans	-80.9	-30.9	-173.8	65	0	0	0	0	114.7	L76 I77 T78 T122 E123	L76-T100 HydrophobicContact CD2-CG2 4.36Å; I77-T100 PolarHBondContact O-N 3.46Å; T78-T100 VanDerWaalsContact C-OG1 3.25Å; T78-T100 WeakPolarHBondContact CA-OG1 3.36Å; T78-T100 PolarHBondContact O-OG1 3.43Å; T100-T122 WeakPolarHBondContact CA-OG1 3.16Å; T100-T122 PolarHBondContact O-OG1 2.98Å; T100-E123 WeakPolarHBondContact O-CB 3.28Å; T100-E123 PolarHBondContact O-N 3.14Å
101	E	50.4	Low	48.7	Very low	38 Å²	38	62.4 Å²	62.4	18%	0.178	35%	0.346	C	S	.	.			trans	-145.6	121.7	-179.5	-161.5	-176	159.2	0	0	110.4	T78 V80 K103 K125	T78-E101 PolarHBondContact O-N 2.71Å; V80-E101 PolarHBondContact N-O 2.86Å; V80-E101 VanDerWaalsContact N-O 3.1Å; E101-K103 WeakPolarHBondContact OE1-CE 3.3Å; E101-K125 VanDerWaalsContact OE1-CE 3.28Å; E101-K125 WeakPolarHBondContact OE1-CE 3.26Å; E101-K125 IonicContact OE1-NZ 2.64Å; E101-K125 PolarHBondContact OE1-NZ 2.65Å
102	V	54.5	Low	48.2	Very low	12 Å²	12	63.5 Å²	63.5	7%	0.073	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-109.4	120.9	173.9	178.9	0	0	0	0	109.2	I99 E104 V106 I121 E123	I99-V102 HydrophobicContact CB-CG2 4.44Å; I99-V102 HydrophobicContact CG2-CG2 3.52Å; V102-E104 WeakPolarHBondContact CG1-O 3.12Å; V102-V106 HydrophobicContact CG1-CG2 4.21Å; V102-I121 HydrophobicContact CB-CG2 4.33Å; V102-I121 HydrophobicContact CG2-CD1 4.22Å; V102-I121 HydrophobicContact CG2-CG1 4.23Å; V102-I121 HydrophobicContact CG2-CG2 3.62Å; V102-E123 PolarHBondContact N-O 3.39Å
103	K	53.9	Low	47.8	Very low	102 Å²	102	63.2 Å²	63.2	44%	0.443	35%	0.353	S	S	.	.			trans	-93.6	-10.2	-176.5	-74.8	-174.6	175.2	175.1	0	115.3	E79 V80 E101	E79-K103 VanDerWaalsContact OE1-CE 3.24Å; E79-K103 WeakPolarHBondContact OE1-CE 3.39Å; E79-K103 IonicContact OE1-NZ 2.63Å; E79-K103 PolarHBondContact OE1-NZ 2.86Å; V80-K103 PolarHBondContact O-N 3.37Å; E101-K103 WeakPolarHBondContact OE1-CE 3.3Å
104	E	49.9	Very low	47.4	Very low	121 Å²	121	67.9 Å²	67.9	57%	0.565	38%	0.384	S	S	*	.	S	Bend	trans	-134.3	148.3	176.3	-73.6	-159	166	0	0	112.1	V102 V106	V102-E104 WeakPolarHBondContact CG1-O 3.12Å; E104-V106 PolarHBondContact O-N 3.49Å
105	P	43.8	Very low	47.1	Very low	72 Å²	72	66 Å²	66	47%	0.468	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-64.2	124.1	-176.5	24.8	-33.2	0	0	0	112.3
106	V	46.1	Very low	46.8	Very low	35 Å²	35	70.5 Å²	70.5	21%	0.212	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-74.1	126.1	168.3	-174.7	0	0	0	0	108.3	V102 E104 D110 L111	V102-V106 HydrophobicContact CG1-CG2 4.21Å; E104-V106 PolarHBondContact O-N 3.49Å; V106-D110 HydrophobicContact CG1-CB 4.38Å; V106-L111 HydrophobicContact CG1-CD1 3.8Å; V106-L111 HydrophobicContact CG1-CD2 4.31Å; V106-L111 HydrophobicContact CG1-CG 3.84Å
107	K	44.1	Very low	46.4	Very low	128 Å²	128	69 Å²	69	56%	0.557	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-90	147.9	175	-61.3	175.6	-177.5	171	0	109.4	E109 D110	K107-E109 PolarHBondContact O-N 2.98Å; K107-D110 WeakPolarHBondContact CB-OD2 3.08Å; K107-D110 PolarHBondContact N-OD2 2.93Å; K107-D110 VanDerWaalsContact N-OD2 3.15Å; K107-D110 VanDerWaalsContact O-CB 3.32Å; K107-D110 WeakPolarHBondContact O-CB 3.45Å; K107-D110 PolarHBondContact O-N 3.42Å
108	D	40.6	Very low	46.2	Very low	96 Å²	96	72.7 Å²	72.7	51%	0.513	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-55.1	-27.9	176.2	-78.5	-28.3	0	0	0	113	D110 L111	D108-D110 PolarHBondContact O-N 3.3Å; D108-L111 PolarHBondContact O-N 2.77Å
109	E	47.9	Very low	45.9	Very low	163 Å²	163	75 Å²	75	76%	0.762	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-64.7	-23.3	175.4	-65.2	164.9	-174.7	0	0	112.8	K107	K107-E109 PolarHBondContact O-N 2.98Å
110	D	46.5	Very low	45.3	Very low	52 Å²	52	76 Å²	76	28%	0.278	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-88.1	-7.3	-179.2	-54.7	-43	0	0	0	112.5	V106 K107 D108	V106-D110 HydrophobicContact CG1-CB 4.38Å; K107-D110 WeakPolarHBondContact CB-OD2 3.08Å; K107-D110 PolarHBondContact N-OD2 2.93Å; K107-D110 VanDerWaalsContact N-OD2 3.15Å; K107-D110 VanDerWaalsContact O-CB 3.32Å; K107-D110 WeakPolarHBondContact O-CB 3.45Å; K107-D110 PolarHBondContact O-N 3.42Å; D108-D110 PolarHBondContact O-N 3.3Å
111	L	43	Very low	44.9	Very low	89 Å²	89	77.4 Å²	77.4	47%	0.466	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-114.4	24.4	-175.4	-68.8	171.8	0	0	0	113.5	V106 D108	V106-L111 HydrophobicContact CG1-CD1 3.8Å; V106-L111 HydrophobicContact CG1-CD2 4.31Å; V106-L111 HydrophobicContact CG1-CG 3.84Å; D108-L111 PolarHBondContact O-N 2.77Å
112	S	35.7	Very low	44.5	Very low	93 Å²	93	79.4 Å²	79.4	65%	0.65	46%	0.455	S	S	*	.			trans	-120.3	130.7	176.3	-111.9	0	0	0	0	111.2
113	P	41.7	Very low	43.9	Very low	88 Å²	88	84 Å²	84	57%	0.571	48%	0.476	S	S	*	.	S	Bend	cis	-86	169.8	6.4	2.3	18.8	0	0	0	112.8	T115	P113-T115 PolarHBondContact O-N 3.48Å
114	P	40.5	Very low	43.3	Very low	118 Å²	118	82.6 Å²	82.6	77%	0.766	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-61.7	123.2	-176.3	24.3	-32.6	0	0	0	111.6
115	T	41	Very low	42.8	Very low	59 Å²	59	83 Å²	83	36%	0.362	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-58	140.5	167	44.2	0	0	0	0	110.2	D86 P113 A117	D86-T115 WeakPolarHBondContact OD1-CG2 3.38Å; P113-T115 PolarHBondContact O-N 3.48Å; T115-A117 WeakPolarHBondContact CB-O 3.49Å; T115-A117 PolarHBondContact O-N 3.16Å; T115-A117 VanDerWaalsContact O-N 3.13Å; T115-A117 PolarHBondContact OG1-O 3.17Å
116	A	42.3	Very low	42.3	Very low	100 Å²	100	86 Å²	86	83%	0.826	48%	0.483	S	S	*	.	S	Bend	trans	-67.1	-9.5	177.5	0	0	0	0	0	113.6
117	A	42.5	Very low	41.7	Very low	16 Å²	16	90 Å²	90	13%	0.132	51%	0.51	C	S	.	.	S	Bend	trans	-129.1	145.2	175.3	0	0	0	0	0	110.5	T115	T115-A117 WeakPolarHBondContact CB-O 3.49Å; T115-A117 PolarHBondContact O-N 3.16Å; T115-A117 VanDerWaalsContact O-N 3.13Å; T115-A117 PolarHBondContact OG1-O 3.17Å
118	P	45.8	Very low	41.2	Very low	86 Å²	86	86.2 Å²	86.2	56%	0.558	50%	0.498	S	S	*	.			trans	-68.2	133.3	178.9	25.5	-30.3	0	0	0	111.2	P96	P96-P118 HydrophobicContact CB-CG 4.32Å; P96-P118 WeakPolarHBondContact CB-O 3.42Å
119	V	43.4	Very low	40.7	Very low	55 Å²	55	91.2 Å²	91.2	33%	0.333	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	123.8	165.6	-179.4	0	0	0	0	107.6	V97 I99	V97-V119 WeakPolarHBondContact O-CA 3.35Å; I99-V119 HydrophobicContact CD1-CG1 3.77Å; I99-V119 HydrophobicContact CG1-CG1 4.39Å
120	L	43.7	Very low	40	Very low	32 Å²	32	85.1 Å²	85.1	17%	0.168	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.6	-176.5	-85.1	153.8	0	0	0	110	V97 L98 I99 A145	V97-L120 PolarHBondContact O-N 3.11Å; L98-L120 CarbonylContact C-O 3.55Å; L98-L120 WeakPolarHBondContact CA-O 3.44Å; L98-L120 HydrophobicContact CD1-CB 3.69Å; L98-L120 HydrophobicContact CD1-CD1 3.9Å; L98-L120 HydrophobicContact CD1-CG 4.42Å; L98-L120 HydrophobicContact CG-CB 4.13Å; I99-L120 PolarHBondContact N-O 3.01Å; L120-A145 VanDerWaalsContact CD2-CA 3.49Å; L120-A145 HydrophobicContact CD2-CB 3.13Å
121	I	45.3	Very low	39.5	Very low	70 Å²	70	87.1 Å²	87.1	36%	0.359	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.9	177.9	-57.8	168	0	0	0	108.8	I99 V102 V124	I99-I121 HydrophobicContact CB-CG1 4.38Å; I99-I121 WeakPolarHBondContact O-CA 3.43Å; V102-I121 HydrophobicContact CB-CG2 4.33Å; V102-I121 HydrophobicContact CG2-CD1 4.22Å; V102-I121 HydrophobicContact CG2-CG1 4.23Å; V102-I121 HydrophobicContact CG2-CG2 3.62Å; I121-V124 HydrophobicContact CG2-CG2 3.77Å
122	T	43.5	Very low	39.3	Very low	81 Å²	81	85.2 Å²	85.2	50%	0.497	50%	0.495	S	S	.	.	S	Bend	trans	-90.5	-19.2	-174.5	64.5	0	0	0	0	114.8	L98 I99 T100	L98-T122 HydrophobicContact CD2-CG2 3.95Å; I99-T122 PolarHBondContact O-N 3.47Å; T100-T122 WeakPolarHBondContact CA-OG1 3.16Å; T100-T122 PolarHBondContact O-OG1 2.98Å
123	E	41.5	Very low	39.4	Very low	107 Å²	107	86.7 Å²	86.7	50%	0.5	50%	0.495	S	S	.	.			trans	-149	117.3	178.3	-144.3	-179.5	-152.5	0	0	110.8	T100 V102	T100-E123 WeakPolarHBondContact O-CB 3.28Å; T100-E123 PolarHBondContact O-N 3.14Å; V102-E123 PolarHBondContact N-O 3.39Å
124	V	40.5	Very low	39.2	Very low	74 Å²	74	87.5 Å²	87.5	45%	0.448	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-109.3	115.1	173.7	-166.1	0	0	0	0	108.7	I121 E126 V128	I121-V124 HydrophobicContact CG2-CG2 3.77Å; V124-E126 WeakPolarHBondContact CG1-O 3.24Å; V124-V128 HydrophobicContact CG1-CG2 3.86Å; V124-V128 HydrophobicContact CG2-CG2 4.49Å
125	K	39.6	Very low	39.1	Very low	128 Å²	128	84.7 Å²	84.7	56%	0.557	47%	0.473	S	S	*	.	S	Bend	trans	-80.9	-8.3	-176.6	-77.2	-176.3	175	173.1	0	114.9	E101	E101-K125 VanDerWaalsContact OE1-CE 3.28Å; E101-K125 WeakPolarHBondContact OE1-CE 3.26Å; E101-K125 IonicContact OE1-NZ 2.64Å; E101-K125 PolarHBondContact OE1-NZ 2.65Å
126	E	33.9	Very low	38.9	Very low	135 Å²	135	87.7 Å²	87.7	63%	0.631	49%	0.487	S	S	*	.	S	Bend	trans	-139.3	149.3	174.6	-73.6	-157.8	165.5	0	0	111.9	V124 V128	V124-E126 WeakPolarHBondContact CG1-O 3.24Å; E126-V128 PolarHBondContact O-N 3.23Å
127	P	33	Very low	38.7	Very low	120 Å²	120	86.7 Å²	86.7	78%	0.779	47%	0.465	S	S	*	.			trans	-62.8	121.9	-174.6	24.4	-32.6	0	0	0	111.7	K129	P127-K129 PolarHBondContact O-N 3.36Å; P127-K129 VanDerWaalsContact O-N 3.15Å
128	V	33.1	Very low	38.6	Very low	48 Å²	48	90.5 Å²	90.5	29%	0.291	48%	0.479	S	S	.	.			trans	-65.3	111.4	168.4	-170.8	0	0	0	0	108.3	V124 E126 G130 F131	V124-V128 HydrophobicContact CG1-CG2 3.86Å; V124-V128 HydrophobicContact CG2-CG2 4.49Å; E126-V128 PolarHBondContact O-N 3.23Å; V128-G130 PolarHBondContact O-N 2.73Å; V128-F131 HydrophobicContact CB-CD2 4.4Å; V128-F131 HydrophobicContact CG1-CD2 3.67Å; V128-F131 HydrophobicContact CG1-CE2 4.28Å
129	K	30.7	Very low	38.6	Very low	201 Å²	201	87.3 Å²	87.3	87%	0.874	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	111.9	167.2	-87.9	-177.8	173.8	178	0	108.1	P127	P127-K129 PolarHBondContact O-N 3.36Å; P127-K129 VanDerWaalsContact O-N 3.15Å
130	G	33.3	Very low	38.7	Very low	36 Å²	36	86.6 Å²	86.6	37%	0.371	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	138	-20.5	169.8	0	0	0	0	0	116	V128 V132	V128-G130 PolarHBondContact O-N 2.73Å; G130-V132 VanDerWaalsContact C-N 3.27Å; G130-V132 PolarHBondContact O-N 3.34Å; G130-V132 VanDerWaalsContact O-N 3.12Å
131	F	35.7	Very low	38.4	Very low	93 Å²	93	87.8 Å²	87.8	41%	0.408	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-78.3	4.8	-170.6	-105.5	-95.8	0	0	0	116.7	V128 D133	V128-F131 HydrophobicContact CB-CD2 4.4Å; V128-F131 HydrophobicContact CG1-CD2 3.67Å; V128-F131 HydrophobicContact CG1-CE2 4.28Å; F131-D133 VanDerWaalsContact C-N 3.29Å; F131-D133 PolarHBondContact O-N 2.71Å
132	V	38.7	Very low	38	Very low	50 Å²	50	90.6 Å²	90.6	30%	0.303	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-81.6	-7.1	-173.6	-177	0	0	0	0	112.8	G130	G130-V132 VanDerWaalsContact C-N 3.27Å; G130-V132 PolarHBondContact O-N 3.34Å; G130-V132 VanDerWaalsContact O-N 3.12Å
133	D	38.3	Very low	37.7	Very low	124 Å²	124	90.8 Å²	90.8	66%	0.663	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-107.5	4.2	-170.1	-68.3	-34.5	0	0	0	115.7	F131	F131-D133 VanDerWaalsContact C-N 3.29Å; F131-D133 PolarHBondContact O-N 2.71Å
134	Q	36.5	Very low	37.2	Very low	104 Å²	104	90.3 Å²	90.3	49%	0.486	47%	0.473	S	S	.	.			trans	-95.5	136.3	177.3	-72.4	-155.1	7.2	0	0	114.5	D136 Q137	Q134-D136 PolarHBondContact O-N 3.15Å; Q134-Q137 VanDerWaalsContact OE1-CD 3.31Å; Q134-Q137 VanDerWaalsContact OE1-OE1 3.11Å
135	P	38.2	Very low	36.7	Very low	60 Å²	60	87.9 Å²	87.9	39%	0.39	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-20.4	-146.2	-10.6	30.2	0	0	0	114.1	N722 K742	P135-N722 PolarHBondContact O-ND2 3.08Å; P135-K742 HydrophobicContact CB-CD 3.78Å; P135-K742 PolarHBondContact O-NZ 2.54Å
136	D	37	Very low	36.2	Very low	122 Å²	122	85.3 Å²	85.3	65%	0.652	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	8	-167.2	-56.2	-35.9	0	0	0	112.9	Q134 K742	Q134-D136 PolarHBondContact O-N 3.15Å; D136-K742 IonicContact OD1-NZ 2.92Å
137	Q	38.7	Very low	36	Very low	79 Å²	79	81.2 Å²	81.2	37%	0.369	45%	0.446	S	S	.	.			trans	-108.6	-24.2	-162.4	-64.5	-168.3	-4.1	0	0	115.3	Q134 A139 V141	Q134-Q137 VanDerWaalsContact OE1-CD 3.31Å; Q134-Q137 VanDerWaalsContact OE1-OE1 3.11Å; Q137-A139 VanDerWaalsContact C-N 3.34Å; Q137-A139 PolarHBondContact O-N 3.05Å; Q137-A139 VanDerWaalsContact O-N 3.15Å; Q137-V141 VanDerWaalsContact CA-CG2 3.49Å; Q137-V141 HydrophobicContact CB-CB 4.2Å; Q137-V141 HydrophobicContact CB-CG2 3.58Å; Q137-V141 HydrophobicContact CG-CG2 3.74Å; Q137-V141 WeakPolarHBondContact O-CB 2.85Å; Q137-V141 WeakPolarHBondContact O-CG2 3.25Å; Q137-V141 PolarHBondContact O-N 3.23Å; Q137-V141 VanDerWaalsContact O-N 3.09Å
138	F	39.3	Very low	35.8	Very low	95 Å²	95	80.1 Å²	80.1	42%	0.417	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.7	-164.7	-134	-89.4	0	0	0	116.4
139	A	45.8	Very low	35.5	Very low	19 Å²	19	82.1 Å²	82.1	16%	0.157	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-38.5	-171.8	0	0	0	0	0	113.6	Q137 A694 V721	Q137-A139 VanDerWaalsContact C-N 3.34Å; Q137-A139 PolarHBondContact O-N 3.05Å; Q137-A139 VanDerWaalsContact O-N 3.15Å; A139-A694 HydrophobicContact CB-CB 4.05Å; A139-V721 HydrophobicContact CB-CG1 3.48Å; A139-V721 VanDerWaalsContact CB-CG1 3.48Å
140	C	46	Very low	35.3	Very low	40 Å²	40	78.9 Å²	78.9	27%	0.27	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-16.1	179.7	-54.7	0	0	0	0	113	Y143 L144 C698	C140-Y143 CarbonylContact O-C 3.21Å; C140-Y143 PolarHBondContact O-N 2.94Å; C140-L144 HydrophobicContact CB-CD1 4.13Å; C140-L144 HydrophobicContact CB-CG 4.47Å; C140-L144 VanDerWaalsContact O-CB 3.31Å; C140-L144 WeakPolarHBondContact O-CB 3.38Å; C140-L144 WeakPolarHBondContact O-CG 3.3Å; C140-L144 PolarHBondContact O-N 2.97Å; C140-C698 VanDerWaalsContact CA-SG 3.52Å; C140-C698 HydrophobicContact CB-CB 4.1Å; C140-C698 WeakPolarHBondContact CB-SG 3.09Å; C140-C698 WeakPolarHBondContact SG-CB 3.24Å; C140-C698 CovalentContact SG-SG 2.06Å; C140-C698 PolarHBondContact SG-SG 3.25Å
141	V	38.2	Very low	34.7	Very low	57 Å²	57	85.8 Å²	85.8	35%	0.345	46%	0.459	S	S	.	.	H	α-helix	trans	-73.3	-38.7	-176.8	175.2	0	0	0	0	112.7	Q137 Y143 L144 A145	Q137-V141 VanDerWaalsContact CA-CG2 3.49Å; Q137-V141 HydrophobicContact CB-CB 4.2Å; Q137-V141 HydrophobicContact CB-CG2 3.58Å; Q137-V141 HydrophobicContact CG-CG2 3.74Å; Q137-V141 WeakPolarHBondContact O-CB 2.85Å; Q137-V141 WeakPolarHBondContact O-CG2 3.25Å; Q137-V141 PolarHBondContact O-N 3.23Å; Q137-V141 VanDerWaalsContact O-N 3.09Å; V141-Y143 PolarHBondContact O-N 3.33Å; V141-L144 PolarHBondContact O-N 3.49Å; V141-A145 WeakPolarHBondContact O-CA 3.25Å; V141-A145 WeakPolarHBondContact O-CB 3.46Å; V141-A145 PolarHBondContact O-N 3.49Å
142	D	37.2	Very low	34.2	Very low	129 Å²	129	87.1 Å²	87.1	69%	0.69	47%	0.465	S	S	*	.	H	α-helix	trans	-61.2	-32.4	171.1	-78.3	-17.2	0	0	0	111.6	S146	D142-S146 VanDerWaalsContact O-CB 3.27Å; D142-S146 WeakPolarHBondContact O-CB 3.46Å; D142-S146 PolarHBondContact O-N 2.84Å; D142-S146 PolarHBondContact O-OG 3.06Å
143	Y	36.4	Very low	33.6	Very low	85 Å²	85	91 Å²	91	33%	0.333	48%	0.483	S	S	.	.	H	α-helix	trans	-76.5	-41.9	176	-175.8	-102.7	0	0	0	112.3	C140 V141 A145 S146 S147 K695 C698	C140-Y143 CarbonylContact O-C 3.21Å; C140-Y143 PolarHBondContact O-N 2.94Å; V141-Y143 PolarHBondContact O-N 3.33Å; Y143-A145 VanDerWaalsContact C-N 3.35Å; Y143-S146 PolarHBondContact O-OG 3.05Å; Y143-S147 WeakPolarHBondContact O-CA 3.2Å; Y143-S147 WeakPolarHBondContact O-CB 3.46Å; Y143-S147 PolarHBondContact O-N 2.96Å; Y143-S147 PolarHBondContact O-OG 3.34Å; Y143-K695 HydrophobicContact CD2-CG 4.39Å; Y143-C698 HydrophobicContact CD1-CB 4.33Å
144	L	31.9	Very low	33.1	Very low	97 Å²	97	93.5 Å²	93.5	51%	0.508	50%	0.496	S	S	.	.	H	α-helix	trans	-69.6	-34.4	175.7	-70.4	167.5	0	0	0	110.8	C140 V141 S147 C148	C140-L144 HydrophobicContact CB-CD1 4.13Å; C140-L144 HydrophobicContact CB-CG 4.47Å; C140-L144 VanDerWaalsContact O-CB 3.31Å; C140-L144 WeakPolarHBondContact O-CB 3.38Å; C140-L144 WeakPolarHBondContact O-CG 3.3Å; C140-L144 PolarHBondContact O-N 2.97Å; V141-L144 PolarHBondContact O-N 3.49Å; L144-S147 WeakPolarHBondContact CA-OG 3.48Å; L144-S147 PolarHBondContact O-OG 3.49Å; L144-C148 WeakPolarHBondContact O-CB 3.45Å; L144-C148 PolarHBondContact O-N 3.37Å; L144-C148 PolarHBondContact O-SG 3.1Å
145	A	29.1	Very low	32.5	Very low	23 Å²	23	91.7 Å²	91.7	19%	0.19	51%	0.506	C	S	.	.	H	α-helix	trans	-67.7	-44	174.1	0	0	0	0	0	112.6	L120 V141 Y143	L120-A145 VanDerWaalsContact CD2-CA 3.49Å; L120-A145 HydrophobicContact CD2-CB 3.13Å; V141-A145 WeakPolarHBondContact O-CA 3.25Å; V141-A145 WeakPolarHBondContact O-CB 3.46Å; V141-A145 PolarHBondContact O-N 3.49Å; Y143-A145 VanDerWaalsContact C-N 3.35Å
146	S	29.3	Very low	32	Very low	75 Å²	75	91.9 Å²	91.9	52%	0.524	51%	0.512	S	S	.	.	H	α-helix	trans	-81	-28.9	177.4	57.1	0	0	0	0	113.3	D142 Y143 L149	D142-S146 VanDerWaalsContact O-CB 3.27Å; D142-S146 WeakPolarHBondContact O-CB 3.46Å; D142-S146 PolarHBondContact O-N 2.84Å; D142-S146 PolarHBondContact O-OG 3.06Å; Y143-S146 PolarHBondContact O-OG 3.05Å; S146-L149 PolarHBondContact O-N 3.25Å
147	S	30.1	Very low	31.5	Very low	48 Å²	48	89.2 Å²	89.2	34%	0.336	51%	0.507	S	S	.	.	H	α-helix	trans	-81.1	-16	174	62.4	0	0	0	0	113.8	Y143 L144 L149	Y143-S147 WeakPolarHBondContact O-CA 3.2Å; Y143-S147 WeakPolarHBondContact O-CB 3.46Å; Y143-S147 PolarHBondContact O-N 2.96Å; Y143-S147 PolarHBondContact O-OG 3.34Å; L144-S147 WeakPolarHBondContact CA-OG 3.48Å; L144-S147 PolarHBondContact O-OG 3.49Å; S147-L149 VanDerWaalsContact C-N 3.27Å
148	C	28.9	Very low	31.3	Very low	98 Å²	98	88.2 Å²	88.2	66%	0.662	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-8.4	167.6	-81	0	0	0	0	113.6	L144	L144-C148 WeakPolarHBondContact O-CB 3.45Å; L144-C148 PolarHBondContact O-N 3.37Å; L144-C148 PolarHBondContact O-SG 3.1Å
149	L	27.2	Very low	31.4	Very low	90 Å²	90	85.5 Å²	85.5	47%	0.471	50%	0.497	S	S	.	.	S	Bend	trans	-100.4	-15.5	-176.7	-140.5	81.6	0	0	0	115.2	L98 S146 S147	L98-L149 HydrophobicContact CD1-CD1 3.19Å; L98-L149 HydrophobicContact CD2-CD1 3.32Å; L98-L149 HydrophobicContact CD2-CD2 3.57Å; L98-L149 HydrophobicContact CD2-CG 4.07Å; L98-L149 HydrophobicContact CG-CD1 3.83Å; S146-L149 PolarHBondContact O-N 3.25Å; S147-L149 VanDerWaalsContact C-N 3.27Å
150	E	24.8	Very low	31.1	Very low	132 Å²	132	85.9 Å²	85.9	62%	0.617	50%	0.498	S	S	*	.	S	Bend	trans	-98.5	123.6	167.3	-72.8	-171.8	163.7	0	0	108.3	F152	E150-F152 HydrophobicContact CB-CD2 3.95Å; E150-F152 HydrophobicContact CB-CE2 4.13Å; E150-F152 PolarHBondContact O-N 2.75Å; E150-F152 WeakPolarHBondContact OE2-CE2 3.24Å
151	Q	22.6	Very low	31.2	Very low	181 Å²	181	84.6 Å²	84.6	85%	0.846	49%	0.489	S	S	*	.			trans	-58.7	72	165.1	-75.1	177.1	-27	0	0	109.9	I153	Q151-I153 HydrophobicContact CB-CG1 4.29Å; Q151-I153 PolarHBondContact O-N 2.88Å
152	F	24.4	Very low	31.5	Very low	122 Å²	122	82.9 Å²	82.9	54%	0.535	48%	0.483	S	S	.	.			trans	-76.3	73.2	152.4	-81.4	-83.1	0	0	0	106.4	E150 D154 A156	E150-F152 HydrophobicContact CB-CD2 3.95Å; E150-F152 HydrophobicContact CB-CE2 4.13Å; E150-F152 PolarHBondContact O-N 2.75Å; E150-F152 WeakPolarHBondContact OE2-CE2 3.24Å; F152-D154 VanDerWaalsContact C-N 3.34Å; F152-D154 PolarHBondContact O-N 3.15Å; F152-A156 HydrophobicContact CD1-CB 3.65Å; F152-A156 HydrophobicContact CE1-CB 3.55Å
153	I	24.9	Very low	32.1	Very low	131 Å²	131	76.9 Å²	76.9	67%	0.672	45%	0.451	S	S	*	.			trans	-52.8	104.9	155.5	-62.6	167.1	0	0	0	104.9	Q151 G155	Q151-I153 HydrophobicContact CB-CG1 4.29Å; Q151-I153 PolarHBondContact O-N 2.88Å; I153-G155 WeakPolarHBondContact O-CA 3.44Å; I153-G155 PolarHBondContact O-N 3.4Å
154	D	27.8	Very low	33	Very low	176 Å²	176	77.1 Å²	77.1	94%	0.941	46%	0.458	S	S	*	.	S	Bend	trans	18.1	33.4	153.8	-81.7	-33.5	0	0	0	119.6	F152	F152-D154 VanDerWaalsContact C-N 3.34Å; F152-D154 PolarHBondContact O-N 3.15Å
155	G	25.7	Very low	34.2	Very low	67 Å²	67	74.6 Å²	74.6	69%	0.691	45%	0.445	S	S	*	.	S	Bend	trans	-166.1	9.3	-160.9	0	0	0	0	0	115.7	I153	I153-G155 WeakPolarHBondContact O-CA 3.44Å; I153-G155 PolarHBondContact O-N 3.4Å
156	A	26.2	Very low	35.8	Very low	63 Å²	63	78 Å²	78	52%	0.521	46%	0.46	S	S	.	.			trans	-140.6	19.2	171	0	0	0	0	0	113.5	F152 S158	F152-A156 HydrophobicContact CD1-CB 3.65Å; F152-A156 HydrophobicContact CE1-CB 3.55Å; A156-S158 PolarHBondContact O-N 2.87Å; A156-S158 VanDerWaalsContact O-N 3.08Å
157	A	27.6	Very low	37.4	Very low	66 Å²	66	76.3 Å²	76.3	55%	0.545	44%	0.443	S	S	.	.			trans	-76.7	93	169.3	0	0	0	0	0	108.7	H159	A157-H159 PolarHBondContact O-N 2.99Å; A157-H159 VanDerWaalsContact O-N 3.13Å
158	S	33.2	Very low	39.1	Very low	59 Å²	59	74.3 Å²	74.3	41%	0.413	43%	0.429	S	S	.	.			trans	-42.3	123.1	166.7	52.6	0	0	0	0	109.4	A156 Y701	A156-S158 PolarHBondContact O-N 2.87Å; A156-S158 VanDerWaalsContact O-N 3.08Å; S158-Y701 WeakPolarHBondContact O-CE2 3Å; S158-Y701 PolarHBondContact O-OH 3.45Å; S158-Y701 VanDerWaalsContact O-OH 3.06Å
159	H	42.7	Very low	41	Very low	38 Å²	38	72.1 Å²	72.1	18%	0.176	41%	0.41	C	S	.	.			trans	-59.3	169.4	-170.6	-118.9	-98.8	0	0	0	111.9	A157 T161 G162 V163 D165 M442	A157-H159 PolarHBondContact O-N 2.99Å; A157-H159 VanDerWaalsContact O-N 3.13Å; H159-T161 PolarHBondContact O-N 3.25Å; H159-G162 PolarHBondContact O-N 3.18Å; H159-V163 PolarHBondContact N-O 2.77Å; H159-D165 IonicContact CD2-OD1 2.72Å; H159-D165 PolarHBondContact CD2-OD1 2.98Å; H159-D165 IonicContact CD2-OD2 3.6Å; H159-D165 PolarHBondContact CD2-OD2 2.96Å; H159-D165 IonicContact CG-OD1 2.9Å; H159-D165 VanDerWaalsContact CG-OD1 3.32Å; H159-D165 IonicContact NE2-OD1 3.83Å; H159-D165 IonicContact NE2-OD2 3.78Å; H159-D165 PolarHBondContact NE2-OD2 3.34Å; H159-M442 WeakPolarHBondContact CE1-CE 3.47Å; H159-M442 WeakPolarHBondContact ND1-CE 3.43Å
160	P	40.1	Very low	43.1	Very low	26 Å²	26	72.8 Å²	72.8	17%	0.169	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-15.1	176.1	-3.4	12.3	0	0	0	113.3	G162 P567 Y701	P160-G162 VanDerWaalsContact C-N 3.25Å; P160-P567 WeakPolarHBondContact O-CD 3.32Å; P160-P567 WeakPolarHBondContact O-CG 3.44Å; P160-Y701 HydrophobicContact CB-CD1 3.4Å; P160-Y701 HydrophobicContact CB-CE1 3.93Å; P160-Y701 HydrophobicContact CB-CG 4.02Å; P160-Y701 HydrophobicContact CG-CD1 3.37Å; P160-Y701 HydrophobicContact CG-CE1 3.43Å; P160-Y701 VanDerWaalsContact CG-CE1 3.43Å; P160-Y701 HydrophobicContact CG-CG 4.42Å
161	T	47.9	Very low	45.2	Very low	14 Å²	14	67.7 Å²	67.7	9%	0.086	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.8	176.4	54.1	0	0	0	0	112.9	H159 V163 M442 F565	H159-T161 PolarHBondContact O-N 3.25Å; T161-V163 WeakPolarHBondContact O-CG2 3.16Å; T161-V163 PolarHBondContact O-N 2.72Å; T161-V163 VanDerWaalsContact O-N 3.11Å; T161-V163 WeakPolarHBondContact OG1-CB 3.38Å; T161-V163 PolarHBondContact OG1-N 2.84Å; T161-M442 HydrophobicContact CG2-SD 3.67Å; T161-F565 WeakPolarHBondContact CA-O 3.07Å
162	G	43.4	Very low	47.6	Very low	21 Å²	21	59.1 Å²	59.1	22%	0.216	35%	0.351	C	S	.	.	S	Bend	trans	64.3	6.1	-167.2	0	0	0	0	0	112.7	H159 P160 P587	H159-G162 PolarHBondContact O-N 3.18Å; P160-G162 VanDerWaalsContact C-N 3.25Å; G162-P587 WeakPolarHBondContact CA-O 3.33Å
163	V	50.7	Low	49.9	Very low	2 Å²	2	58.1 Å²	58.1	1%	0.012	35%	0.351	C	S	.	.			trans	-92.9	130.3	-178.9	-175.2	0	0	0	0	108.6	H159 T161 D165 F167 I168 F453 F565	H159-V163 PolarHBondContact N-O 2.77Å; T161-V163 WeakPolarHBondContact O-CG2 3.16Å; T161-V163 PolarHBondContact O-N 2.72Å; T161-V163 VanDerWaalsContact O-N 3.11Å; T161-V163 WeakPolarHBondContact OG1-CB 3.38Å; T161-V163 PolarHBondContact OG1-N 2.84Å; V163-D165 PolarHBondContact O-N 3.1Å; V163-F167 HydrophobicContact CG1-CB 4.42Å; V163-F167 HydrophobicContact CG1-CD1 4.04Å; V163-I168 HydrophobicContact CB-CD1 4.02Å; V163-I168 HydrophobicContact CB-CG1 4.48Å; V163-I168 HydrophobicContact CG1-CD1 3.5Å; V163-I168 VanDerWaalsContact CG1-CD1 3.5Å; V163-I168 HydrophobicContact CG1-CG1 3.46Å; V163-I168 VanDerWaalsContact CG1-CG1 3.46Å; V163-F453 HydrophobicContact CB-CE2 4Å; V163-F453 HydrophobicContact CG1-CD2 4.07Å; V163-F453 HydrophobicContact CG1-CE2 3.58Å; V163-F453 HydrophobicContact CG2-CD2 4.06Å; V163-F453 HydrophobicContact CG2-CE2 3.31Å; V163-F453 HydrophobicContact CG2-CZ 3.64Å; V163-F565 HydrophobicContact CG2-CB 4.25Å
164	D	54.3	Low	51.9	Low	90 Å²	90	55.7 Å²	55.7	48%	0.481	34%	0.339	S	S	.	.			trans	-63	121	167.6	-174.5	-4.6	0	0	0	108.7	D166 F167 I168	D164-D166 PolarHBondContact O-N 3.32Å; D164-D166 WeakPolarHBondContact OD1-CB 3.08Å; D164-D166 PolarHBondContact OD1-N 3.42Å; D164-F167 HydrophobicContact CB-CB 4.13Å; D164-F167 WeakPolarHBondContact O-CA 3.35Å; D164-F167 VanDerWaalsContact O-CB 3.26Å; D164-F167 WeakPolarHBondContact O-CB 3.35Å; D164-F167 PolarHBondContact O-N 3.2Å; D164-I168 PolarHBondContact O-N 2.83Å
165	D	58	Low	53.6	Low	45 Å²	45	50.4 Å²	50.4	24%	0.241	31%	0.314	C	S	.	.	H	α-helix	trans	-54.4	-35.5	176.7	-77.6	-0.3	0	0	0	110.8	H159 V163 F167 I168 I169 L438	H159-D165 IonicContact CD2-OD1 2.72Å; H159-D165 PolarHBondContact CD2-OD1 2.98Å; H159-D165 IonicContact CD2-OD2 3.6Å; H159-D165 PolarHBondContact CD2-OD2 2.96Å; H159-D165 IonicContact CG-OD1 2.9Å; H159-D165 VanDerWaalsContact CG-OD1 3.32Å; H159-D165 IonicContact NE2-OD1 3.83Å; H159-D165 IonicContact NE2-OD2 3.78Å; H159-D165 PolarHBondContact NE2-OD2 3.34Å; V163-D165 PolarHBondContact O-N 3.1Å; D165-F167 PolarHBondContact O-N 3.29Å; D165-I168 PolarHBondContact O-N 3.37Å; D165-I169 HydrophobicContact CB-CD1 4.32Å; D165-I169 WeakPolarHBondContact O-CB 3.36Å; D165-I169 WeakPolarHBondContact O-CD1 3.45Å; D165-I169 WeakPolarHBondContact O-CG1 3.43Å; D165-I169 PolarHBondContact O-N 2.95Å; D165-L438 HydrophobicContact CB-CD2 3.74Å; D165-L438 WeakPolarHBondContact OD1-CD2 3.07Å
166	D	62.9	Low	55.1	Low	93 Å²	93	53.6 Å²	53.6	50%	0.497	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-34.5	176.1	-71.3	-18.8	0	0	0	111.3	D164 N170	D164-D166 PolarHBondContact O-N 3.32Å; D164-D166 WeakPolarHBondContact OD1-CB 3.08Å; D164-D166 PolarHBondContact OD1-N 3.42Å; D166-N170 WeakPolarHBondContact O-CB 3.42Å; D166-N170 PolarHBondContact O-N 2.83Å; D166-N170 PolarHBondContact O-ND2 2.88Å
167	F	63	Low	56.7	Low	41 Å²	41	53.9 Å²	53.9	18%	0.18	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-47.9	175	176.6	-96.9	0	0	0	111.3	V163 D164 D165 N170 L171 F453 H456	V163-F167 HydrophobicContact CG1-CB 4.42Å; V163-F167 HydrophobicContact CG1-CD1 4.04Å; D164-F167 HydrophobicContact CB-CB 4.13Å; D164-F167 WeakPolarHBondContact O-CA 3.35Å; D164-F167 VanDerWaalsContact O-CB 3.26Å; D164-F167 WeakPolarHBondContact O-CB 3.35Å; D164-F167 PolarHBondContact O-N 3.2Å; D165-F167 PolarHBondContact O-N 3.29Å; F167-N170 PolarHBondContact O-N 3.37Å; F167-L171 HydrophobicContact CE1-CD2 4.07Å; F167-L171 HydrophobicContact CZ-CD2 4.34Å; F167-L171 WeakPolarHBondContact O-CB 3.15Å; F167-L171 PolarHBondContact O-N 3.33Å; F167-F453 AromaticContact CD1-CD2 3.67Å; F167-F453 HydrophobicContact CD1-CD2 3.67Å; F167-F453 HydrophobicContact CD1-CE2 4.04Å; F167-F453 HydrophobicContact CE1-CB 4.1Å; F167-F453 AromaticContact CE1-CD2 3.37Å; F167-F453 HydrophobicContact CE1-CD2 3.37Å; F167-F453 HydrophobicContact CE1-CE2 4.13Å; F167-F453 HydrophobicContact CE1-CG 4.1Å; F167-F453 HydrophobicContact CZ-CD2 4.34Å; F167-H456 HydrophobicContact CE2-CB 3.57Å; F167-H456 AromaticContact CE2-CD2 3.39Å; F167-H456 WeakPolarHBondContact CE2-CD2 3.39Å; F167-H456 AromaticContact CE2-CG 3.39Å; F167-H456 HydrophobicContact CZ-CB 3.49Å; F167-H456 VanDerWaalsContact CZ-CB 3.49Å; F167-H456 AromaticContact CZ-CG 3.77Å
168	I	64.8	Low	58.3	Low	6 Å²	6	54.7 Å²	54.7	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-66.1	-46.8	179.8	-61.8	162	0	0	0	109.7	V163 D164 D165 N170 L171 M172 L438 M442 M446	V163-I168 HydrophobicContact CB-CD1 4.02Å; V163-I168 HydrophobicContact CB-CG1 4.48Å; V163-I168 HydrophobicContact CG1-CD1 3.5Å; V163-I168 VanDerWaalsContact CG1-CD1 3.5Å; V163-I168 HydrophobicContact CG1-CG1 3.46Å; V163-I168 VanDerWaalsContact CG1-CG1 3.46Å; D164-I168 PolarHBondContact O-N 2.83Å; D165-I168 PolarHBondContact O-N 3.37Å; I168-N170 VanDerWaalsContact C-N 3.3Å; I168-N170 PolarHBondContact O-N 3.43Å; I168-L171 WeakPolarHBondContact O-CB 3.43Å; I168-L171 PolarHBondContact O-N 2.86Å; I168-M172 HydrophobicContact CG2-CG 4.04Å; I168-M172 VanDerWaalsContact O-CG 3.26Å; I168-M172 WeakPolarHBondContact O-CG 3.31Å; I168-M172 PolarHBondContact O-N 3.03Å; I168-L438 HydrophobicContact CB-CD1 4.07Å; I168-L438 HydrophobicContact CD1-CD2 4.41Å; I168-L438 HydrophobicContact CG2-CD1 3.62Å; I168-M442 HydrophobicContact CD1-SD 4.28Å; I168-M446 HydrophobicContact CD1-CE 3.56Å; I168-M446 HydrophobicContact CG1-CE 4.16Å
169	I	68.8	Low	59.6	Low	51 Å²	51	59 Å²	59	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-56.6	-46.5	178.1	-68.6	166.5	0	0	0	110.2	D165 L171 M172 N173 L438	D165-I169 HydrophobicContact CB-CD1 4.32Å; D165-I169 WeakPolarHBondContact O-CB 3.36Å; D165-I169 WeakPolarHBondContact O-CD1 3.45Å; D165-I169 WeakPolarHBondContact O-CG1 3.43Å; D165-I169 PolarHBondContact O-N 2.95Å; I169-L171 VanDerWaalsContact C-N 3.33Å; I169-L171 PolarHBondContact O-N 3.28Å; I169-M172 PolarHBondContact O-N 3.43Å; I169-N173 WeakPolarHBondContact CG2-ND2 3.34Å; I169-N173 WeakPolarHBondContact O-CB 3.45Å; I169-N173 VanDerWaalsContact O-CG 3.25Å; I169-N173 PolarHBondContact O-N 3.38Å; I169-N173 PolarHBondContact O-ND2 3.06Å; I169-L438 HydrophobicContact CG1-CD1 4.28Å
170	N	71.1	Confident	60.8	Low	105 Å²	105	58.7 Å²	58.7	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-63.2	-38.7	176.3	-76.3	-41.5	0	0	0	112.3	D166 F167 I168 N174	D166-N170 WeakPolarHBondContact O-CB 3.42Å; D166-N170 PolarHBondContact O-N 2.83Å; D166-N170 PolarHBondContact O-ND2 2.88Å; F167-N170 PolarHBondContact O-N 3.37Å; I168-N170 VanDerWaalsContact C-N 3.3Å; I168-N170 PolarHBondContact O-N 3.43Å; N170-N174 WeakPolarHBondContact O-CB 3.35Å; N170-N174 PolarHBondContact O-N 2.65Å; N170-N174 VanDerWaalsContact O-N 3.13Å
171	L	69.8	Low	62.1	Low	24 Å²	24	61.6 Å²	61.6	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-65.5	-43.9	177	-175.5	60.8	0	0	0	111.6	F167 I168 I169 N174 F183 L449 L452	F167-L171 HydrophobicContact CE1-CD2 4.07Å; F167-L171 HydrophobicContact CZ-CD2 4.34Å; F167-L171 WeakPolarHBondContact O-CB 3.15Å; F167-L171 PolarHBondContact O-N 3.33Å; I168-L171 WeakPolarHBondContact O-CB 3.43Å; I168-L171 PolarHBondContact O-N 2.86Å; I169-L171 VanDerWaalsContact C-N 3.33Å; I169-L171 PolarHBondContact O-N 3.28Å; L171-N174 PolarHBondContact O-N 3.22Å; L171-F183 HydrophobicContact CD1-CE2 4.29Å; L171-F183 HydrophobicContact CD1-CZ 4.43Å; L171-F183 HydrophobicContact CG-CE2 4.13Å; L171-L449 HydrophobicContact CD2-CB 4.41Å; L171-L449 HydrophobicContact CD2-CD2 3.46Å; L171-L449 VanDerWaalsContact CD2-CD2 3.46Å; L171-L449 HydrophobicContact CG-CD2 3.86Å; L171-L452 HydrophobicContact CD1-CB 4.11Å; L171-L452 HydrophobicContact CD1-CD1 4.29Å; L171-L452 HydrophobicContact CD1-CD2 4.34Å; L171-L452 HydrophobicContact CD1-CG 4.5Å; L171-L452 HydrophobicContact CD2-CB 4.03Å
172	M	72.8	Confident	63.1	Low	2 Å²	2	63.7 Å²	63.7	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-70.1	-33.9	179.7	-60.8	-55.3	-93.4	0	0	112.7	I168 I169 N174 A186 V187 Y190 L449	I168-M172 HydrophobicContact CG2-CG 4.04Å; I168-M172 VanDerWaalsContact O-CG 3.26Å; I168-M172 WeakPolarHBondContact O-CG 3.31Å; I168-M172 PolarHBondContact O-N 3.03Å; I169-M172 PolarHBondContact O-N 3.43Å; M172-N174 VanDerWaalsContact C-N 3.25Å; M172-N174 PolarHBondContact O-N 2.87Å; M172-A186 HydrophobicContact CE-CB 3.95Å; M172-A186 WeakPolarHBondContact CE-O 3.17Å; M172-V187 HydrophobicContact SD-CG2 4.47Å; M172-Y190 HydrophobicContact CB-CD1 3.42Å; M172-Y190 VanDerWaalsContact CB-CD1 3.42Å; M172-Y190 HydrophobicContact CB-CD2 4.21Å; M172-Y190 HydrophobicContact CB-CE1 3.69Å; M172-Y190 HydrophobicContact CB-CE2 4.44Å; M172-Y190 HydrophobicContact CB-CG 3.71Å; M172-Y190 HydrophobicContact CE-CD2 4.35Å; M172-Y190 HydrophobicContact CE-CG 3.92Å; M172-Y190 HydrophobicContact CG-CD1 4.15Å; M172-Y190 HydrophobicContact CG-CD2 4.05Å; M172-Y190 HydrophobicContact CG-CE2 4.44Å; M172-Y190 HydrophobicContact CG-CG 3.91Å; M172-L449 HydrophobicContact CE-CD1 4.17Å; M172-L449 HydrophobicContact SD-CD1 3.69Å; M172-L449 HydrophobicContact SD-CD2 3.4Å; M172-L449 WeakPolarHBondContact SD-CD2 3.1Å; M172-L449 HydrophobicContact SD-CG 4.12Å
173	N	73.2	Confident	64.4	Low	100 Å²	100	62.8 Å²	62.8	54%	0.535	34%	0.343	S	S	.	.	H	α-helix	trans	-74.1	-17.7	174.8	-73.2	-26.4	0	0	0	112.8	I169	I169-N173 WeakPolarHBondContact CG2-ND2 3.34Å; I169-N173 WeakPolarHBondContact O-CB 3.45Å; I169-N173 VanDerWaalsContact O-CG 3.25Å; I169-N173 PolarHBondContact O-N 3.38Å; I169-N173 PolarHBondContact O-ND2 3.06Å
174	N	66.5	Low	65.6	Low	80 Å²	80	64.7 Å²	64.7	43%	0.428	35%	0.352	S	S	.	.			trans	-98.2	93.3	-175.8	-164.6	-6.7	0	0	0	111.3	N170 L171 M172 N176	N170-N174 WeakPolarHBondContact O-CB 3.35Å; N170-N174 PolarHBondContact O-N 2.65Å; N170-N174 VanDerWaalsContact O-N 3.13Å; L171-N174 PolarHBondContact O-N 3.22Å; M172-N174 VanDerWaalsContact C-N 3.25Å; M172-N174 PolarHBondContact O-N 2.87Å; N174-N176 PolarHBondContact O-N 3.24Å; N174-N176 VanDerWaalsContact OD1-CB 3.26Å; N174-N176 WeakPolarHBondContact OD1-CB 3.29Å; N174-N176 PolarHBondContact OD1-N 3.02Å; N174-N176 PolarHBondContact OD1-ND2 3.13Å; N174-N176 PolarHBondContact OD1-OD1 3.06Å
175	T	62.9	Low	66.8	Low	66 Å²	66	61.4 Å²	61.4	41%	0.405	34%	0.336	S	S	.	.			trans	-74.1	22.5	179.4	57.3	0	0	0	0	114.1	N177 V187	T175-N177 PolarHBondContact O-N 3.47Å; T175-N177 VanDerWaalsContact O-N 3.08Å; T175-V187 HydrophobicContact CG2-CG1 4.47Å
176	N	58.4	Low	67.6	Low	134 Å²	134	59.8 Å²	59.8	72%	0.717	33%	0.329	S	S	*	.			trans	-72.1	1.8	-173.6	-79.3	-10.1	0	0	0	114.6	N174	N174-N176 PolarHBondContact O-N 3.24Å; N174-N176 VanDerWaalsContact OD1-CB 3.26Å; N174-N176 WeakPolarHBondContact OD1-CB 3.29Å; N174-N176 PolarHBondContact OD1-N 3.02Å; N174-N176 PolarHBondContact OD1-ND2 3.13Å; N174-N176 PolarHBondContact OD1-OD1 3.06Å
177	N	59.2	Low	68.4	Low	68 Å²	68	55.4 Å²	55.4	36%	0.364	31%	0.305	S	S	.	.			trans	-129.6	66.3	174.6	-157.3	3.3	0	0	0	112.1	T175 D179 F183	T175-N177 PolarHBondContact O-N 3.47Å; T175-N177 VanDerWaalsContact O-N 3.08Å; N177-D179 PolarHBondContact O-N 2.9Å; N177-F183 HydrophobicContact CB-CD1 4.47Å
178	P	60.2	Low	69.4	Low	84 Å²	84	55.1 Å²	55.1	55%	0.545	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.7	-174.3	30	-35.6	0	0	0	114.2
179	D	61.1	Low	70.2	Confident	150 Å²	150	55 Å²	55	80%	0.802	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.6	-171.4	-66	-24.5	0	0	0	113.8	N177	N177-D179 PolarHBondContact O-N 2.9Å
180	D	67.4	Low	70.7	Confident	31 Å²	31	53.5 Å²	53.5	17%	0.166	30%	0.296	C	S	.	.			trans	-92.5	105	173.1	-166.9	-41.3	0	0	0	110.5	R182 F183 M184	D180-R182 PolarHBondContact O-N 3.04Å; D180-R182 VanDerWaalsContact O-N 3.13Å; D180-R182 WeakPolarHBondContact OD1-CA 3.44Å; D180-R182 WeakPolarHBondContact OD1-CB 3.35Å; D180-R182 IonicContact OD1-CZ 3.69Å; D180-R182 PolarHBondContact OD1-N 3.07Å; D180-R182 IonicContact OD1-NE 2.83Å; D180-R182 PolarHBondContact OD1-NE 2.92Å; D180-R182 VanDerWaalsContact OD1-NE 3.17Å; D180-R182 IonicContact OD1-NH2 2.88Å; D180-R182 IonicContact OD2-CZ 2.86Å; D180-R182 IonicContact OD2-NE 2.77Å; D180-R182 IonicContact OD2-NH2 2.75Å; D180-R182 PolarHBondContact OD2-NH2 3.41Å; D180-F183 HydrophobicContact CB-CB 3.93Å; D180-F183 WeakPolarHBondContact O-CB 3.13Å; D180-F183 PolarHBondContact O-N 2.98Å; D180-F183 VanDerWaalsContact O-N 3.09Å; D180-F183 PolarHBondContact OD1-N 2.92Å; D180-M184 PolarHBondContact O-N 2.63Å
181	S	68.4	Low	71.3	Confident	87 Å²	87	50.8 Å²	50.8	61%	0.608	28%	0.279	S	S	*	.	H	α-helix	trans	-58	-26.8	179.8	62.7	0	0	0	0	113.6	S185	S181-S185 PolarHBondContact O-N 3.34Å; S181-S185 PolarHBondContact O-OG 2.62Å
182	R	68.6	Low	72	Confident	57 Å²	57	49.8 Å²	49.8	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-78.2	-42.3	178	-57	165.6	-69.6	-166	-1.7	110.1	D180 M184 S185 A186 P448 E519 F525	D180-R182 PolarHBondContact O-N 3.04Å; D180-R182 VanDerWaalsContact O-N 3.13Å; D180-R182 WeakPolarHBondContact OD1-CA 3.44Å; D180-R182 WeakPolarHBondContact OD1-CB 3.35Å; D180-R182 IonicContact OD1-CZ 3.69Å; D180-R182 PolarHBondContact OD1-N 3.07Å; D180-R182 IonicContact OD1-NE 2.83Å; D180-R182 PolarHBondContact OD1-NE 2.92Å; D180-R182 VanDerWaalsContact OD1-NE 3.17Å; D180-R182 IonicContact OD1-NH2 2.88Å; D180-R182 IonicContact OD2-CZ 2.86Å; D180-R182 IonicContact OD2-NE 2.77Å; D180-R182 IonicContact OD2-NH2 2.75Å; D180-R182 PolarHBondContact OD2-NH2 3.41Å; R182-M184 VanDerWaalsContact C-N 3.26Å; R182-M184 PolarHBondContact O-N 3.2Å; R182-S185 WeakPolarHBondContact O-CB 3.21Å; R182-S185 PolarHBondContact O-N 3.04Å; R182-S185 VanDerWaalsContact O-N 3.1Å; R182-A186 PolarHBondContact O-N 3.35Å; R182-P448 HydrophobicContact CB-CB 3.78Å; R182-P448 HydrophobicContact CB-CG 3.73Å; R182-P448 VanDerWaalsContact O-CG 3.32Å; R182-P448 WeakPolarHBondContact O-CG 3.35Å; R182-E519 IonicContact CZ-OE1 3.56Å; R182-E519 IonicContact NH1-OE1 3.71Å; R182-E519 PolarHBondContact NH1-OE1 3.34Å; R182-F525 HydrophobicContact CB-CD1 4.32Å; R182-F525 HydrophobicContact CB-CE1 3.58Å; R182-F525 HydrophobicContact CB-CE2 4.46Å; R182-F525 HydrophobicContact CB-CZ 3.67Å; R182-F525 HydrophobicContact CG-CD1 3.98Å; R182-F525 HydrophobicContact CG-CD2 4.45Å; R182-F525 HydrophobicContact CG-CE1 3.71Å; R182-F525 HydrophobicContact CG-CE2 4.19Å; R182-F525 HydrophobicContact CG-CG 4.37Å; R182-F525 HydrophobicContact CG-CZ 3.83Å
183	F	71	Confident	72.5	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-58.2	-45.6	171.7	178.1	-105.4	0	0	0	109.9	L171 N177 D180 S185 A186 V187 P448 L449 L452	L171-F183 HydrophobicContact CD1-CE2 4.29Å; L171-F183 HydrophobicContact CD1-CZ 4.43Å; L171-F183 HydrophobicContact CG-CE2 4.13Å; N177-F183 HydrophobicContact CB-CD1 4.47Å; D180-F183 HydrophobicContact CB-CB 3.93Å; D180-F183 WeakPolarHBondContact O-CB 3.13Å; D180-F183 PolarHBondContact O-N 2.98Å; D180-F183 VanDerWaalsContact O-N 3.09Å; D180-F183 PolarHBondContact OD1-N 2.92Å; F183-S185 VanDerWaalsContact C-N 3.3Å; F183-S185 PolarHBondContact O-N 3.1Å; F183-A186 WeakPolarHBondContact O-CB 3.41Å; F183-A186 PolarHBondContact O-N 2.93Å; F183-A186 VanDerWaalsContact O-N 3.09Å; F183-V187 HydrophobicContact CD1-CG2 4Å; F183-V187 HydrophobicContact CE1-CG2 3.59Å; F183-V187 HydrophobicContact CE2-CG2 4.17Å; F183-V187 HydrophobicContact CG-CG2 4.46Å; F183-V187 HydrophobicContact CZ-CG2 3.69Å; F183-V187 WeakPolarHBondContact O-CG2 3.29Å; F183-V187 PolarHBondContact O-N 3.17Å; F183-P448 HydrophobicContact CB-CB 3.97Å; F183-P448 VanDerWaalsContact N-CB 3.27Å; F183-L449 HydrophobicContact CD2-CD2 3.84Å; F183-L449 HydrophobicContact CE2-CD2 3.51Å; F183-L452 HydrophobicContact CD2-CD1 3.23Å; F183-L452 HydrophobicContact CE2-CD1 3.32Å; F183-L452 HydrophobicContact CG-CD1 3.9Å; F183-L452 HydrophobicContact CZ-CD1 4.05Å
184	M	76.3	Confident	72.7	Confident	43 Å²	43	46.8 Å²	46.8	21%	0.212	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-35.7	174.5	-68.5	-54.5	-56.1	0	0	112.7	D180 R182 A186 V187 N188	D180-M184 PolarHBondContact O-N 2.63Å; R182-M184 VanDerWaalsContact C-N 3.26Å; R182-M184 PolarHBondContact O-N 3.2Å; M184-A186 VanDerWaalsContact C-N 3.33Å; M184-A186 PolarHBondContact O-N 3.41Å; M184-V187 HydrophobicContact CE-CG1 4.49Å; M184-V187 PolarHBondContact O-N 2.85Å; M184-N188 VanDerWaalsContact O-CB 3.24Å; M184-N188 WeakPolarHBondContact O-CB 3.49Å; M184-N188 PolarHBondContact O-N 3.38Å; M184-N188 PolarHBondContact O-OD1 2.95Å; M184-N188 VanDerWaalsContact O-OD1 3.11Å
185	S	78.4	Confident	73.1	Confident	20 Å²	20	47.4 Å²	47.4	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-40.5	173	-60.8	0	0	0	0	111.9	S181 R182 F183 Y189 I529	S181-S185 PolarHBondContact O-N 3.34Å; S181-S185 PolarHBondContact O-OG 2.62Å; R182-S185 WeakPolarHBondContact O-CB 3.21Å; R182-S185 PolarHBondContact O-N 3.04Å; R182-S185 VanDerWaalsContact O-N 3.1Å; F183-S185 VanDerWaalsContact C-N 3.3Å; F183-S185 PolarHBondContact O-N 3.1Å; S185-Y189 PolarHBondContact O-N 2.73Å; S185-I529 VanDerWaalsContact O-CG2 3.28Å; S185-I529 WeakPolarHBondContact O-CG2 3.37Å
186	A	75.3	Confident	73.3	Confident	12 Å²	12	44.7 Å²	44.7	10%	0.099	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-47	175.2	0	0	0	0	0	111.2	M172 R182 F183 M184 N188 Y189 Y190 P448 L449	M172-A186 HydrophobicContact CE-CB 3.95Å; M172-A186 WeakPolarHBondContact CE-O 3.17Å; R182-A186 PolarHBondContact O-N 3.35Å; F183-A186 WeakPolarHBondContact O-CB 3.41Å; F183-A186 PolarHBondContact O-N 2.93Å; F183-A186 VanDerWaalsContact O-N 3.09Å; M184-A186 VanDerWaalsContact C-N 3.33Å; M184-A186 PolarHBondContact O-N 3.41Å; A186-N188 PolarHBondContact O-N 3.44Å; A186-Y189 PolarHBondContact O-N 3.46Å; A186-Y190 PolarHBondContact O-N 2.91Å; A186-P448 HydrophobicContact CB-CG 4.38Å; A186-L449 HydrophobicContact CB-CD1 4.44Å; A186-L449 HydrophobicContact CB-CG 4.47Å
187	V	78.8	Confident	73.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.8	-47.2	175.3	171.7	0	0	0	0	111.1	M172 T175 F183 M184 Y189 Y190 K191	M172-V187 HydrophobicContact SD-CG2 4.47Å; T175-V187 HydrophobicContact CG2-CG1 4.47Å; F183-V187 HydrophobicContact CD1-CG2 4Å; F183-V187 HydrophobicContact CE1-CG2 3.59Å; F183-V187 HydrophobicContact CE2-CG2 4.17Å; F183-V187 HydrophobicContact CG-CG2 4.46Å; F183-V187 HydrophobicContact CZ-CG2 3.69Å; F183-V187 WeakPolarHBondContact O-CG2 3.29Å; F183-V187 PolarHBondContact O-N 3.17Å; M184-V187 HydrophobicContact CE-CG1 4.49Å; M184-V187 PolarHBondContact O-N 2.85Å; V187-Y189 PolarHBondContact O-N 2.89Å; V187-Y190 WeakPolarHBondContact O-CA 3.37Å; V187-Y190 PolarHBondContact O-N 3.31Å; V187-K191 HydrophobicContact CG1-CD 4.1Å; V187-K191 HydrophobicContact CG1-CG 4.32Å; V187-K191 WeakPolarHBondContact O-CG 3.28Å; V187-K191 PolarHBondContact O-N 3Å
188	N	84.3	Confident	73.7	Confident	35 Å²	35	43.9 Å²	43.9	19%	0.187	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-46	178.5	-71.6	-0.8	0	0	0	111.2	M184 A186 Y190 S192 I529 E531	M184-N188 VanDerWaalsContact O-CB 3.24Å; M184-N188 WeakPolarHBondContact O-CB 3.49Å; M184-N188 PolarHBondContact O-N 3.38Å; M184-N188 PolarHBondContact O-OD1 2.95Å; M184-N188 VanDerWaalsContact O-OD1 3.11Å; A186-N188 PolarHBondContact O-N 3.44Å; N188-Y190 PolarHBondContact O-N 3.45Å; N188-S192 WeakPolarHBondContact O-CB 3.41Å; N188-S192 PolarHBondContact O-N 2.99Å; N188-I529 HydrophobicContact CB-CG2 4.14Å; N188-I529 PolarHBondContact ND2-O 3.08Å; N188-I529 VanDerWaalsContact ND2-O 3.07Å; N188-E531 HydrophobicContact CB-CB 4.34Å; N188-E531 WeakPolarHBondContact O-CA 3.4Å
189	Y	82.3	Confident	74.2	Confident	5 Å²	5	41.5 Å²	41.5	2%	0.02	23%	0.232	C	C	.	.	H	α-helix	trans	-57.5	-45.3	173.5	-162.5	-57.4	0	0	0	109.6	S185 A186 V187 S192 C193 H441 I444 I529 Y534 N537	S185-Y189 PolarHBondContact O-N 2.73Å; A186-Y189 PolarHBondContact O-N 3.46Å; V187-Y189 PolarHBondContact O-N 2.89Å; Y189-S192 WeakPolarHBondContact O-CB 3.17Å; Y189-S192 PolarHBondContact O-N 3.28Å; Y189-S192 PolarHBondContact O-OG 2.89Å; Y189-C193 PolarHBondContact O-N 2.85Å; Y189-H441 AromaticContact CD1-CE1 2.96Å; Y189-H441 WeakPolarHBondContact CD1-CE1 3.42Å; Y189-H441 AromaticContact CD1-ND1 3.61Å; Y189-H441 AromaticContact CD1-NE2 3.66Å; Y189-H441 AromaticContact CE1-CE1 3.7Å; Y189-H441 AromaticContact CG-CE1 3.6Å; Y189-I444 HydrophobicContact CE2-CG2 4.08Å; Y189-I529 HydrophobicContact CD2-CG2 4.32Å; Y189-Y534 HydrophobicContact CE1-CE2 4.13Å; Y189-N537 HydrophobicContact CD2-CB 3.67Å; Y189-N537 HydrophobicContact CE2-CB 3.74Å; Y189-N537 WeakPolarHBondContact CE2-O 3.08Å; Y189-N537 HydrophobicContact CG-CB 4.21Å
190	Y	79.7	Confident	75.1	Confident	19 Å²	19	41.1 Å²	41.1	8%	0.075	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-46	-172.6	176.5	-92.7	0	0	0	113.7	M172 A186 V187 N188 C193 T194 L438 H441	M172-Y190 HydrophobicContact CB-CD1 3.42Å; M172-Y190 VanDerWaalsContact CB-CD1 3.42Å; M172-Y190 HydrophobicContact CB-CD2 4.21Å; M172-Y190 HydrophobicContact CB-CE1 3.69Å; M172-Y190 HydrophobicContact CB-CE2 4.44Å; M172-Y190 HydrophobicContact CB-CG 3.71Å; M172-Y190 HydrophobicContact CE-CD2 4.35Å; M172-Y190 HydrophobicContact CE-CG 3.92Å; M172-Y190 HydrophobicContact CG-CD1 4.15Å; M172-Y190 HydrophobicContact CG-CD2 4.05Å; M172-Y190 HydrophobicContact CG-CE2 4.44Å; M172-Y190 HydrophobicContact CG-CG 3.91Å; A186-Y190 PolarHBondContact O-N 2.91Å; V187-Y190 WeakPolarHBondContact O-CA 3.37Å; V187-Y190 PolarHBondContact O-N 3.31Å; N188-Y190 PolarHBondContact O-N 3.45Å; Y190-C193 PolarHBondContact O-N 3.48Å; Y190-T194 HydrophobicContact CD1-CG2 4.34Å; Y190-T194 HydrophobicContact CD2-CG2 4.29Å; Y190-T194 HydrophobicContact CE1-CG2 3.92Å; Y190-T194 HydrophobicContact CE2-CG2 3.86Å; Y190-T194 WeakPolarHBondContact O-CB 3.49Å; Y190-T194 WeakPolarHBondContact O-CG2 2.88Å; Y190-T194 PolarHBondContact O-N 3.08Å; Y190-T194 PolarHBondContact O-OG1 2.93Å; Y190-L438 HydrophobicContact CE2-CD1 4.19Å; Y190-H441 WeakPolarHBondContact CA-CE1 3.09Å; Y190-H441 WeakPolarHBondContact CA-NE2 3.2Å; Y190-H441 AromaticContact CD2-CD2 3.59Å; Y190-H441 AromaticContact CD2-NE2 3.63Å; Y190-H441 PolarHBondContact N-CE1 3.35Å
191	K	83.3	Confident	75.7	Confident	47 Å²	47	44.6 Å²	44.6	20%	0.204	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-45.6	171.3	-67	-175.8	-178.4	-178.8	0	111.6	V187 C193 T194 D195 E531	V187-K191 HydrophobicContact CG1-CD 4.1Å; V187-K191 HydrophobicContact CG1-CG 4.32Å; V187-K191 WeakPolarHBondContact O-CG 3.28Å; V187-K191 PolarHBondContact O-N 3Å; K191-C193 PolarHBondContact O-N 3.23Å; K191-C193 VanDerWaalsContact O-N 3.11Å; K191-T194 WeakPolarHBondContact CA-OG1 3.31Å; K191-T194 PolarHBondContact O-N 3.28Å; K191-T194 PolarHBondContact O-OG1 3.36Å; K191-D195 WeakPolarHBondContact O-CB 3.24Å; K191-D195 PolarHBondContact O-N 2.9Å; K191-E531 HydrophobicContact CB-CG 3.71Å; K191-E531 HydrophobicContact CD-CG 3.95Å; K191-E531 WeakPolarHBondContact CD-OE1 3.49Å; K191-E531 WeakPolarHBondContact CD-OE2 3.33Å; K191-E531 VanDerWaalsContact NZ-CD 3.33Å; K191-E531 IonicContact NZ-OE1 2.98Å; K191-E531 PolarHBondContact NZ-OE1 2.8Å; K191-E531 IonicContact NZ-OE2 3.91Å; K191-E531 PolarHBondContact NZ-OE2 3.47Å
192	S	85.1	Confident	76.3	Confident	4 Å²	4	43 Å²	43	3%	0.028	23%	0.232	C	C	.	.	H	α-helix	trans	-54.8	-38.4	176.1	80.8	0	0	0	0	112.6	N188 Y189 S196 E531 Y534 N537	N188-S192 WeakPolarHBondContact O-CB 3.41Å; N188-S192 PolarHBondContact O-N 2.99Å; Y189-S192 WeakPolarHBondContact O-CB 3.17Å; Y189-S192 PolarHBondContact O-N 3.28Å; Y189-S192 PolarHBondContact O-OG 2.89Å; S192-S196 WeakPolarHBondContact O-CB 3.24Å; S192-S196 PolarHBondContact O-N 3.45Å; S192-E531 WeakPolarHBondContact CA-O 3.16Å; S192-E531 WeakPolarHBondContact CB-O 3.47Å; S192-E531 PolarHBondContact N-O 3.02Å; S192-Y534 WeakPolarHBondContact O-CB 3.5Å; S192-N537 PolarHBondContact OG-ND2 3.18Å
193	C	81.8	Confident	77	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-77.5	-33.8	178.4	-171.1	0	0	0	0	114.2	Y189 Y190 K191 P197 R423 C437 Y534	Y189-C193 PolarHBondContact O-N 2.85Å; Y190-C193 PolarHBondContact O-N 3.48Å; K191-C193 PolarHBondContact O-N 3.23Å; K191-C193 VanDerWaalsContact O-N 3.11Å; C193-P197 WeakPolarHBondContact O-CD 3.32Å; C193-P197 VanDerWaalsContact O-CG 3.22Å; C193-P197 WeakPolarHBondContact O-CG 3.47Å; C193-R423 PolarHBondContact O-NH1 3.4Å; C193-R423 PolarHBondContact SG-NH1 3.31Å; C193-C437 HydrophobicContact CB-CB 3.82Å; C193-C437 WeakPolarHBondContact CB-SG 3.47Å; C193-C437 PolarHBondContact O-SG 3.16Å; C193-C437 WeakPolarHBondContact SG-CA 3.47Å; C193-C437 WeakPolarHBondContact SG-CB 3.24Å; C193-C437 CovalentContact SG-SG 2.04Å; C193-C437 PolarHBondContact SG-SG 3.4Å; C193-Y534 VanDerWaalsContact CA-CD2 3.49Å; C193-Y534 HydrophobicContact CB-CD2 3.65Å; C193-Y534 HydrophobicContact CB-CE2 3.4Å; C193-Y534 VanDerWaalsContact CB-CE2 3.4Å; C193-Y534 WeakPolarHBondContact SG-CE2 3.27Å; C193-Y534 VanDerWaalsContact SG-CZ 3.59Å
194	T	78.3	Confident	77.7	Confident	39 Å²	39	43 Å²	43	24%	0.239	24%	0.239	C	C	.	.	H	α-helix	trans	-88.2	-24.1	-174.8	49.5	0	0	0	0	113.2	Y190 K191 P197 C437	Y190-T194 HydrophobicContact CD1-CG2 4.34Å; Y190-T194 HydrophobicContact CD2-CG2 4.29Å; Y190-T194 HydrophobicContact CE1-CG2 3.92Å; Y190-T194 HydrophobicContact CE2-CG2 3.86Å; Y190-T194 WeakPolarHBondContact O-CB 3.49Å; Y190-T194 WeakPolarHBondContact O-CG2 2.88Å; Y190-T194 PolarHBondContact O-N 3.08Å; Y190-T194 PolarHBondContact O-OG1 2.93Å; K191-T194 WeakPolarHBondContact CA-OG1 3.31Å; K191-T194 PolarHBondContact O-N 3.28Å; K191-T194 PolarHBondContact O-OG1 3.36Å; T194-P197 WeakPolarHBondContact O-CD 3.38Å; T194-C437 HydrophobicContact CG2-CB 4.26Å
195	D	75	Confident	78.1	Confident	92 Å²	92	43 Å²	43	49%	0.492	24%	0.238	S	C	.	.	H	α-helix	trans	-85.9	-37.8	175.7	-67.1	-32.5	0	0	0	112.3	K191 P197 N198	K191-D195 WeakPolarHBondContact O-CB 3.24Å; K191-D195 PolarHBondContact O-N 2.9Å; D195-P197 WeakPolarHBondContact O-CD 3.19Å; D195-N198 PolarHBondContact O-N 3.27Å
196	S	66.8	Low	78.3	Confident	9 Å²	9	46.5 Å²	46.5	6%	0.063	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-51.6	-36.7	175.6	-172.5	0	0	0	0	116.7	S192 N198 A199 I204 Y424	S192-S196 WeakPolarHBondContact O-CB 3.24Å; S192-S196 PolarHBondContact O-N 3.45Å; S196-N198 PolarHBondContact O-N 2.83Å; S196-A199 WeakPolarHBondContact O-CB 3.5Å; S196-A199 PolarHBondContact O-N 3.35Å; S196-I204 WeakPolarHBondContact OG-CD1 3.38Å; S196-Y424 WeakPolarHBondContact CB-OH 3.14Å; S196-Y424 PolarHBondContact OG-OH 2.86Å; S196-Y424 VanDerWaalsContact OG-OH 3.04Å
197	P	62	Low	78.9	Confident	43 Å²	43	47.9 Å²	47.9	28%	0.279	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-65.7	-23.6	-179.1	-14.8	31.7	0	0	0	113.8	C193 T194 D195 A199	C193-P197 WeakPolarHBondContact O-CD 3.32Å; C193-P197 VanDerWaalsContact O-CG 3.22Å; C193-P197 WeakPolarHBondContact O-CG 3.47Å; T194-P197 WeakPolarHBondContact O-CD 3.38Å; D195-P197 WeakPolarHBondContact O-CD 3.19Å; P197-A199 VanDerWaalsContact C-N 3.3Å
198	N	64.1	Low	79.4	Confident	143 Å²	143	47.9 Å²	47.9	77%	0.765	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-87.4	-4.8	176.8	-63.1	-42.4	0	0	0	112	D195 S196	D195-N198 PolarHBondContact O-N 3.27Å; S196-N198 PolarHBondContact O-N 2.83Å
199	A	69.8	Low	79.5	Confident	33 Å²	33	47.1 Å²	47.1	27%	0.273	26%	0.255	S	S	.	.	S	Bend	trans	-73.6	144.3	177.1	0	0	0	0	0	110.7	S196 P197 V203 I204	S196-A199 WeakPolarHBondContact O-CB 3.5Å; S196-A199 PolarHBondContact O-N 3.35Å; P197-A199 VanDerWaalsContact C-N 3.3Å; A199-V203 HydrophobicContact CB-CB 3.96Å; A199-V203 HydrophobicContact CB-CG1 3.96Å; A199-I204 HydrophobicContact CB-CD1 4.15Å; A199-I204 HydrophobicContact CB-CG1 4.42Å
200	E	79.8	Confident	79.7	Confident	142 Å²	142	52.2 Å²	52.2	66%	0.664	28%	0.278	S	S	*	.			trans	-58.6	147.7	172.9	-64.8	-175.8	176	0	0	110.5	S202 V203 I204	E200-S202 WeakPolarHBondContact CB-OG 3.46Å; E200-S202 PolarHBondContact O-N 2.8Å; E200-S202 PolarHBondContact OE2-OG 2.7Å; E200-V203 HydrophobicContact CB-CG2 4.27Å; E200-V203 WeakPolarHBondContact O-CA 3.36Å; E200-V203 WeakPolarHBondContact O-CB 3.49Å; E200-V203 PolarHBondContact O-N 2.93Å; E200-I204 PolarHBondContact O-N 3.43Å
201	I	81.6	Confident	80.3	Confident	105 Å²	105	51.4 Å²	51.4	54%	0.538	27%	0.274	S	S	.	.	H	α-helix	trans	-51.1	-32	176.4	-67.7	174.8	0	0	0	112	V203 I204 E205 Y425	I201-V203 VanDerWaalsContact C-N 3.34Å; I201-I204 PolarHBondContact O-N 3.01Å; I201-E205 WeakPolarHBondContact O-CB 3.29Å; I201-E205 PolarHBondContact O-N 2.83Å; I201-Y425 HydrophobicContact CG2-CD1 4.44Å; I201-Y425 HydrophobicContact CG2-CE1 3.56Å; I201-Y425 PolarHBondContact O-OH 3.38Å
202	S	81	Confident	80.7	Confident	52 Å²	52	49.2 Å²	49.2	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-64.7	-33.7	176.4	65.2	0	0	0	0	113.2	E200 N206	E200-S202 WeakPolarHBondContact CB-OG 3.46Å; E200-S202 PolarHBondContact O-N 2.8Å; E200-S202 PolarHBondContact OE2-OG 2.7Å; S202-N206 PolarHBondContact O-N 3Å; S202-N206 PolarHBondContact O-ND2 3.17Å
203	V	83.3	Confident	80.8	Confident	61 Å²	61	51.4 Å²	51.4	37%	0.37	28%	0.276	S	S	.	.	H	α-helix	trans	-71.5	-49	176.5	178.3	0	0	0	0	109.3	A199 E200 I201 E205 N206 E207	A199-V203 HydrophobicContact CB-CB 3.96Å; A199-V203 HydrophobicContact CB-CG1 3.96Å; E200-V203 HydrophobicContact CB-CG2 4.27Å; E200-V203 WeakPolarHBondContact O-CA 3.36Å; E200-V203 WeakPolarHBondContact O-CB 3.49Å; E200-V203 PolarHBondContact O-N 2.93Å; I201-V203 VanDerWaalsContact C-N 3.34Å; V203-E205 VanDerWaalsContact C-N 3.31Å; V203-E205 PolarHBondContact O-N 3Å; V203-N206 WeakPolarHBondContact O-CB 3.38Å; V203-N206 PolarHBondContact O-N 2.98Å; V203-E207 PolarHBondContact O-N 3.49Å
204	I	84.1	Confident	81.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-57.9	-43.9	176	-59.2	-59.8	0	0	0	111.4	S196 A199 E200 I201 N206 E207 V208 Y424 Y425 F535	S196-I204 WeakPolarHBondContact OG-CD1 3.38Å; A199-I204 HydrophobicContact CB-CD1 4.15Å; A199-I204 HydrophobicContact CB-CG1 4.42Å; E200-I204 PolarHBondContact O-N 3.43Å; I201-I204 PolarHBondContact O-N 3.01Å; I204-N206 VanDerWaalsContact C-N 3.31Å; I204-N206 PolarHBondContact O-N 3.14Å; I204-E207 PolarHBondContact O-N 3.11Å; I204-V208 HydrophobicContact CG2-CG2 4.47Å; I204-V208 WeakPolarHBondContact O-CG2 3.47Å; I204-V208 PolarHBondContact O-N 3.17Å; I204-Y424 HydrophobicContact CD1-CD1 3.82Å; I204-Y424 HydrophobicContact CD1-CE1 3.52Å; I204-Y424 HydrophobicContact CD1-CG 4.48Å; I204-Y424 HydrophobicContact CG1-CD1 3.67Å; I204-Y424 HydrophobicContact CG1-CE1 3.93Å; I204-Y424 HydrophobicContact CG1-CG 4.23Å; I204-Y424 HydrophobicContact CG2-CD1 4.18Å; I204-Y424 HydrophobicContact CG2-CD2 4.13Å; I204-Y424 HydrophobicContact CG2-CG 3.86Å; I204-Y425 HydrophobicContact CG2-CE2 3.8Å; I204-F535 HydrophobicContact CD1-CE2 4.15Å; I204-F535 HydrophobicContact CG2-CE2 3.88Å; I204-F535 HydrophobicContact CG2-CZ 3.73Å
205	E	84.5	Confident	81.8	Confident	43 Å²	43	54.9 Å²	54.9	20%	0.201	30%	0.296	C	S	.	.	H	α-helix	trans	-55.2	-47.3	174.2	168.9	175.2	166.2	0	0	111.1	I201 V203 E207 V208 I209 L309 G310 P311 Y425	I201-E205 WeakPolarHBondContact O-CB 3.29Å; I201-E205 PolarHBondContact O-N 2.83Å; V203-E205 VanDerWaalsContact C-N 3.31Å; V203-E205 PolarHBondContact O-N 3Å; E205-E207 PolarHBondContact O-N 2.81Å; E205-V208 PolarHBondContact O-N 3.03Å; E205-I209 HydrophobicContact CG-CD1 3.74Å; E205-I209 WeakPolarHBondContact O-CB 3.21Å; E205-I209 WeakPolarHBondContact O-CD1 3.48Å; E205-I209 WeakPolarHBondContact O-CG1 3.24Å; E205-I209 PolarHBondContact O-N 2.9Å; E205-L309 WeakPolarHBondContact CG-O 3.27Å; E205-G310 WeakPolarHBondContact OE1-CA 3.21Å; E205-P311 WeakPolarHBondContact OE1-CD 3.36Å; E205-Y425 WeakPolarHBondContact CA-OH 3.35Å; E205-Y425 PolarHBondContact N-OH 3.45Å
206	N	83.6	Confident	82.6	Confident	92 Å²	92	50.7 Å²	50.7	49%	0.492	27%	0.273	S	S	.	.	H	α-helix	trans	-66.3	-36.7	179.5	-74.5	-47.2	0	0	0	112.7	S202 V203 I204 I209 K210	S202-N206 PolarHBondContact O-N 3Å; S202-N206 PolarHBondContact O-ND2 3.17Å; V203-N206 WeakPolarHBondContact O-CB 3.38Å; V203-N206 PolarHBondContact O-N 2.98Å; I204-N206 VanDerWaalsContact C-N 3.31Å; I204-N206 PolarHBondContact O-N 3.14Å; N206-I209 PolarHBondContact O-N 3.36Å; N206-K210 VanDerWaalsContact O-CB 3.31Å; N206-K210 WeakPolarHBondContact O-CB 3.34Å; N206-K210 PolarHBondContact O-N 3.07Å
207	E	87.3	Confident	83.4	Confident	41 Å²	41	56.8 Å²	56.8	19%	0.192	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-46.1	176.1	-70.9	179.9	178.7	0	0	111.8	V203 I204 E205 I209 K210 L211 F535	V203-E207 PolarHBondContact O-N 3.49Å; I204-E207 PolarHBondContact O-N 3.11Å; E205-E207 PolarHBondContact O-N 2.81Å; E207-I209 VanDerWaalsContact C-N 3.32Å; E207-I209 PolarHBondContact O-N 3.45Å; E207-K210 WeakPolarHBondContact O-CB 3.44Å; E207-K210 PolarHBondContact O-N 3.01Å; E207-L211 PolarHBondContact O-N 2.98Å; E207-F535 HydrophobicContact CB-CD2 3.69Å; E207-F535 HydrophobicContact CB-CE2 4.12Å; E207-F535 VanDerWaalsContact OE2-CD2 3.31Å; E207-F535 WeakPolarHBondContact OE2-CD2 3.11Å; E207-F535 WeakPolarHBondContact OE2-CE2 3.19Å
208	V	88.8	Confident	84.3	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-42.9	175.1	175.8	0	0	0	0	110.5	I204 E205 K210 L211 I212 W219 L309 L414 L421 F535	I204-V208 HydrophobicContact CG2-CG2 4.47Å; I204-V208 WeakPolarHBondContact O-CG2 3.47Å; I204-V208 PolarHBondContact O-N 3.17Å; E205-V208 PolarHBondContact O-N 3.03Å; V208-K210 PolarHBondContact O-N 2.75Å; V208-L211 PolarHBondContact O-N 3.49Å; V208-I212 WeakPolarHBondContact O-CG1 2.92Å; V208-I212 PolarHBondContact O-N 2.91Å; V208-W219 HydrophobicContact CG1-CH2 4.36Å; V208-W219 HydrophobicContact CG1-CZ3 4.29Å; V208-L309 HydrophobicContact CG1-CD1 4.26Å; V208-L309 HydrophobicContact CG1-CD2 4.33Å; V208-L414 HydrophobicContact CG1-CD2 3.73Å; V208-L421 HydrophobicContact CG2-CD2 3.82Å; V208-F535 HydrophobicContact CG2-CD1 4.04Å; V208-F535 HydrophobicContact CG2-CD2 4.36Å; V208-F535 HydrophobicContact CG2-CE1 3.74Å; V208-F535 HydrophobicContact CG2-CE2 4.07Å; V208-F535 HydrophobicContact CG2-CG 4.34Å; V208-F535 HydrophobicContact CG2-CZ 3.75Å
209	I	87	Confident	85.2	Confident	19 Å²	19	47.9 Å²	47.9	10%	0.097	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-46.6	174.5	-72.1	167.5	0	0	0	111	E205 N206 E207 L211 I212 I213 W219 A224	E205-I209 HydrophobicContact CG-CD1 3.74Å; E205-I209 WeakPolarHBondContact O-CB 3.21Å; E205-I209 WeakPolarHBondContact O-CD1 3.48Å; E205-I209 WeakPolarHBondContact O-CG1 3.24Å; E205-I209 PolarHBondContact O-N 2.9Å; N206-I209 PolarHBondContact O-N 3.36Å; E207-I209 VanDerWaalsContact C-N 3.32Å; E207-I209 PolarHBondContact O-N 3.45Å; I209-L211 VanDerWaalsContact C-N 3.33Å; I209-L211 PolarHBondContact O-N 2.97Å; I209-I212 PolarHBondContact O-N 2.95Å; I209-I213 HydrophobicContact CG2-CD1 3.63Å; I209-I213 HydrophobicContact CG2-CG1 4.32Å; I209-I213 WeakPolarHBondContact O-CB 3.27Å; I209-I213 VanDerWaalsContact O-CG1 3.27Å; I209-I213 WeakPolarHBondContact O-CG1 3.26Å; I209-I213 PolarHBondContact O-N 3.31Å; I209-W219 HydrophobicContact CB-CE3 4.33Å; I209-W219 HydrophobicContact CB-CZ3 4.37Å; I209-W219 HydrophobicContact CG1-CE3 3.77Å; I209-W219 HydrophobicContact CG1-CZ3 3.54Å; I209-A224 HydrophobicContact CD1-CB 4.34Å; I209-A224 HydrophobicContact CG2-CB 3.41Å; I209-A224 VanDerWaalsContact CG2-CB 3.41Å
210	K	87.9	Confident	85.7	Confident	112 Å²	112	47.6 Å²	47.6	49%	0.487	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-42.8	178.7	-177	-167	174.2	-153.3	0	111	N206 E207 V208 I213 T214 D533	N206-K210 VanDerWaalsContact O-CB 3.31Å; N206-K210 WeakPolarHBondContact O-CB 3.34Å; N206-K210 PolarHBondContact O-N 3.07Å; E207-K210 WeakPolarHBondContact O-CB 3.44Å; E207-K210 PolarHBondContact O-N 3.01Å; V208-K210 PolarHBondContact O-N 2.75Å; K210-I213 PolarHBondContact O-N 2.83Å; K210-T214 WeakPolarHBondContact O-CB 3.49Å; K210-T214 PolarHBondContact O-N 3.09Å; K210-T214 PolarHBondContact O-OG1 3.08Å; K210-D533 IonicContact NZ-OD2 2.8Å; K210-D533 PolarHBondContact NZ-OD2 3.3Å
211	L	91.7	Very high	85.8	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-59	-52.5	176.3	177.8	66	0	0	0	111.2	E207 V208 I209 I213 T214 L215 F413 M417 F535 M536	E207-L211 PolarHBondContact O-N 2.98Å; V208-L211 PolarHBondContact O-N 3.49Å; I209-L211 VanDerWaalsContact C-N 3.33Å; I209-L211 PolarHBondContact O-N 2.97Å; L211-I213 PolarHBondContact O-N 3.35Å; L211-T214 PolarHBondContact O-N 3.26Å; L211-L215 HydrophobicContact CD1-CD1 3.59Å; L211-L215 HydrophobicContact CD1-CG 4.05Å; L211-L215 HydrophobicContact CG-CD1 4.03Å; L211-L215 PolarHBondContact O-N 3.39Å; L211-F413 HydrophobicContact CD2-CE1 3.73Å; L211-F413 HydrophobicContact CD2-CZ 4.02Å; L211-F413 HydrophobicContact CG-CE1 4.24Å; L211-F413 HydrophobicContact CG-CZ 4.4Å; L211-M417 HydrophobicContact CD2-CE 3.74Å; L211-M417 HydrophobicContact CD2-SD 3.8Å; L211-F535 HydrophobicContact CD2-CB 3.99Å; L211-M536 HydrophobicContact CD1-CE 3.75Å; L211-M536 HydrophobicContact CD1-SD 3.72Å
212	I	91	Very high	85.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-41.6	-178.4	-60.1	-64	0	0	0	111.2	V208 I209 T214 L215 F216 W219 T410 F413 L414	V208-I212 WeakPolarHBondContact O-CG1 2.92Å; V208-I212 PolarHBondContact O-N 2.91Å; I209-I212 PolarHBondContact O-N 2.95Å; I212-T214 VanDerWaalsContact C-N 3.31Å; I212-T214 PolarHBondContact O-N 3.31Å; I212-L215 PolarHBondContact O-N 3.31Å; I212-F216 HydrophobicContact CD1-CD2 4.18Å; I212-F216 HydrophobicContact CD1-CE2 4.14Å; I212-F216 HydrophobicContact CG2-CB 4.47Å; I212-F216 HydrophobicContact CG2-CD2 4.03Å; I212-F216 WeakPolarHBondContact O-CB 3.45Å; I212-F216 PolarHBondContact O-N 3.02Å; I212-W219 HydrophobicContact CB-CB 4.27Å; I212-W219 HydrophobicContact CB-CD2 4.15Å; I212-W219 HydrophobicContact CB-CE3 4.11Å; I212-W219 HydrophobicContact CB-CG 4.23Å; I212-W219 HydrophobicContact CG1-CD2 4.26Å; I212-W219 HydrophobicContact CG1-CE3 4.15Å; I212-W219 HydrophobicContact CG1-CZ3 4.41Å; I212-W219 HydrophobicContact CG2-CB 3.57Å; I212-W219 HydrophobicContact CG2-CD2 3.89Å; I212-W219 HydrophobicContact CG2-CE3 4.36Å; I212-W219 HydrophobicContact CG2-CG 3.52Å; I212-T410 HydrophobicContact CG2-CG2 3.66Å; I212-F413 HydrophobicContact CD1-CD1 3.52Å; I212-F413 HydrophobicContact CD1-CE1 3.83Å; I212-L414 HydrophobicContact CD1-CD2 4.08Å; I212-L414 HydrophobicContact CD1-CG 4.18Å; I212-L414 HydrophobicContact CG1-CD2 4.47Å
213	I	87.4	Confident	84.9	Confident	50 Å²	50	36.8 Å²	36.8	26%	0.256	19%	0.185	S	C	.	.	H	α-helix	trans	-61.2	-42.3	176.6	-69.7	173.5	0	0	0	110.9	I209 K210 L211 K217 G218 A224 I228	I209-I213 HydrophobicContact CG2-CD1 3.63Å; I209-I213 HydrophobicContact CG2-CG1 4.32Å; I209-I213 WeakPolarHBondContact O-CB 3.27Å; I209-I213 VanDerWaalsContact O-CG1 3.27Å; I209-I213 WeakPolarHBondContact O-CG1 3.26Å; I209-I213 PolarHBondContact O-N 3.31Å; K210-I213 PolarHBondContact O-N 2.83Å; L211-I213 PolarHBondContact O-N 3.35Å; I213-K217 CarbonylContact O-C 3.58Å; I213-K217 WeakPolarHBondContact O-CA 2.93Å; I213-K217 PolarHBondContact O-N 3.33Å; I213-K217 VanDerWaalsContact O-N 3.07Å; I213-G218 PolarHBondContact O-N 3.4Å; I213-A224 HydrophobicContact CD1-CB 4.24Å; I213-I228 HydrophobicContact CD1-CD1 4.22Å; I213-I228 HydrophobicContact CD1-CG1 4.18Å; I213-I228 HydrophobicContact CG1-CD1 4.07Å; I213-I228 HydrophobicContact CG2-CD1 4.23Å; I213-I228 HydrophobicContact CG2-CG1 4.48Å
214	T	89.6	Confident	84.2	Confident	82 Å²	82	34.3 Å²	34.3	50%	0.503	17%	0.171	S	C	.	.	H	α-helix	trans	-66.1	-47	-179	-58	0	0	0	0	111.6	K210 L211 I212 M536	K210-T214 WeakPolarHBondContact O-CB 3.49Å; K210-T214 PolarHBondContact O-N 3.09Å; K210-T214 PolarHBondContact O-OG1 3.08Å; L211-T214 PolarHBondContact O-N 3.26Å; I212-T214 VanDerWaalsContact C-N 3.31Å; I212-T214 PolarHBondContact O-N 3.31Å; T214-M536 HydrophobicContact CG2-CE 3.71Å
215	L	92.3	Very high	83.3	Confident	30 Å²	30	34.9 Å²	34.9	16%	0.157	17%	0.173	C	C	.	.	H	α-helix	trans	-79.4	-42.1	-175.2	-65.3	179.4	0	0	0	113.2	L211 I212 P250 F413 M536 Y539	L211-L215 HydrophobicContact CD1-CD1 3.59Å; L211-L215 HydrophobicContact CD1-CG 4.05Å; L211-L215 HydrophobicContact CG-CD1 4.03Å; L211-L215 PolarHBondContact O-N 3.39Å; I212-L215 PolarHBondContact O-N 3.31Å; L215-P250 HydrophobicContact CB-CB 4.02Å; L215-P250 HydrophobicContact CB-CG 4.18Å; L215-P250 HydrophobicContact CD1-CB 4.45Å; L215-P250 HydrophobicContact CD2-CB 4.4Å; L215-P250 WeakPolarHBondContact O-CG 3.26Å; L215-F413 HydrophobicContact CD1-CE1 4.18Å; L215-F413 HydrophobicContact CD1-CE2 3.7Å; L215-F413 HydrophobicContact CD1-CZ 3.33Å; L215-M536 HydrophobicContact CD2-SD 4.47Å; L215-Y539 HydrophobicContact CD1-CD1 4.07Å; L215-Y539 HydrophobicContact CD1-CD2 3.85Å; L215-Y539 HydrophobicContact CD1-CE1 4.23Å; L215-Y539 HydrophobicContact CD1-CE2 4.01Å; L215-Y539 HydrophobicContact CD1-CG 3.87Å; L215-Y539 HydrophobicContact CD2-CD1 3.93Å; L215-Y539 HydrophobicContact CD2-CE1 3.57Å
216	F	90.6	Very high	82.5	Confident	5 Å²	5	37.3 Å²	37.3	2%	0.022	19%	0.188	C	C	.	.	H	α-helix	trans	-107.8	13.4	-171.4	-59.9	-80.2	0	0	0	113.4	I212 G218 L247 P250 H406 T409 T410 F413	I212-F216 HydrophobicContact CD1-CD2 4.18Å; I212-F216 HydrophobicContact CD1-CE2 4.14Å; I212-F216 HydrophobicContact CG2-CB 4.47Å; I212-F216 HydrophobicContact CG2-CD2 4.03Å; I212-F216 WeakPolarHBondContact O-CB 3.45Å; I212-F216 PolarHBondContact O-N 3.02Å; F216-G218 PolarHBondContact O-N 2.78Å; F216-G218 VanDerWaalsContact O-N 3.09Å; F216-L247 HydrophobicContact CD1-CD1 4.04Å; F216-L247 WeakPolarHBondContact CD1-O 3.32Å; F216-L247 WeakPolarHBondContact CE1-O 3.06Å; F216-P250 HydrophobicContact CD1-CG 4.47Å; F216-P250 HydrophobicContact CE1-CB 4.06Å; F216-P250 HydrophobicContact CE1-CG 4.18Å; F216-P250 HydrophobicContact CZ-CB 3.95Å; F216-H406 PolarHBondContact O-NE2 3.14Å; F216-T409 HydrophobicContact CD1-CG2 4.1Å; F216-T409 HydrophobicContact CE1-CG2 3.55Å; F216-T409 HydrophobicContact CZ-CG2 4.37Å; F216-T410 HydrophobicContact CB-CG2 4.07Å; F216-T410 HydrophobicContact CD1-CG2 4.39Å; F216-T410 HydrophobicContact CD2-CG2 3.94Å; F216-T410 HydrophobicContact CG-CG2 3.86Å; F216-F413 HydrophobicContact CE2-CB 3.95Å; F216-F413 AromaticContact CE2-CD1 3.87Å; F216-F413 HydrophobicContact CE2-CD1 3.87Å; F216-F413 AromaticContact CE2-CD2 3.7Å; F216-F413 HydrophobicContact CE2-CD2 3.7Å; F216-F413 HydrophobicContact CE2-CE1 4.27Å; F216-F413 HydrophobicContact CE2-CE2 4.12Å; F216-F413 AromaticContact CE2-CG 3.55Å; F216-F413 HydrophobicContact CE2-CG 3.55Å; F216-F413 HydrophobicContact CE2-CZ 4.39Å; F216-F413 HydrophobicContact CZ-CB 3.75Å; F216-F413 HydrophobicContact CZ-CD1 4.41Å; F216-F413 AromaticContact CZ-CD2 3.52Å; F216-F413 HydrophobicContact CZ-CD2 3.52Å; F216-F413 HydrophobicContact CZ-CE2 4.2Å; F216-F413 AromaticContact CZ-CG 3.63Å; F216-F413 HydrophobicContact CZ-CG 3.63Å
217	K	83.5	Confident	81.7	Confident	136 Å²	136	41.2 Å²	41.2	59%	0.591	20%	0.2	S	C	*	.	S	Bend	trans	55.2	26	-179.8	-60.8	179.5	-178	175.7	0	113.6	I213 L236	I213-K217 CarbonylContact O-C 3.58Å; I213-K217 WeakPolarHBondContact O-CA 2.93Å; I213-K217 PolarHBondContact O-N 3.33Å; I213-K217 VanDerWaalsContact O-N 3.07Å; K217-L236 HydrophobicContact CB-CD1 3.68Å; K217-L236 WeakPolarHBondContact O-CD1 3.28Å
218	G	80.7	Confident	80.9	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.			trans	145.4	172.1	176.2	0	0	0	0	0	112.8	I213 F216 H406	I213-G218 PolarHBondContact O-N 3.4Å; F216-G218 PolarHBondContact O-N 2.78Å; F216-G218 VanDerWaalsContact O-N 3.09Å; G218-H406 PolarHBondContact O-CE1 2.8Å; G218-H406 PolarHBondContact O-NE2 2.78Å
219	W	83.2	Confident	80.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.			trans	-136.9	94.6	176.2	-167.3	11.6	0	0	0	112.1	V208 I209 I212 L221 T222 Y225 L309 L414	V208-W219 HydrophobicContact CG1-CH2 4.36Å; V208-W219 HydrophobicContact CG1-CZ3 4.29Å; I209-W219 HydrophobicContact CB-CE3 4.33Å; I209-W219 HydrophobicContact CB-CZ3 4.37Å; I209-W219 HydrophobicContact CG1-CE3 3.77Å; I209-W219 HydrophobicContact CG1-CZ3 3.54Å; I212-W219 HydrophobicContact CB-CB 4.27Å; I212-W219 HydrophobicContact CB-CD2 4.15Å; I212-W219 HydrophobicContact CB-CE3 4.11Å; I212-W219 HydrophobicContact CB-CG 4.23Å; I212-W219 HydrophobicContact CG1-CD2 4.26Å; I212-W219 HydrophobicContact CG1-CE3 4.15Å; I212-W219 HydrophobicContact CG1-CZ3 4.41Å; I212-W219 HydrophobicContact CG2-CB 3.57Å; I212-W219 HydrophobicContact CG2-CD2 3.89Å; I212-W219 HydrophobicContact CG2-CE3 4.36Å; I212-W219 HydrophobicContact CG2-CG 3.52Å; W219-L221 PolarHBondContact O-N 3.34Å; W219-L221 VanDerWaalsContact O-N 3.12Å; W219-T222 HydrophobicContact CD2-CG2 3.6Å; W219-T222 HydrophobicContact CE3-CG2 3.54Å; W219-T222 HydrophobicContact CG-CG2 4.29Å; W219-T222 HydrophobicContact CH2-CG2 3.88Å; W219-T222 HydrophobicContact CZ2-CG2 3.96Å; W219-T222 HydrophobicContact CZ3-CG2 3.69Å; W219-T222 PolarHBondContact O-N 2.99Å; W219-T222 PolarHBondContact O-OG1 3.41Å; W219-Y225 WeakPolarHBondContact O-CB 3.37Å; W219-L309 HydrophobicContact CH2-CB 3.85Å; W219-L309 HydrophobicContact CH2-CD1 3.81Å; W219-L309 HydrophobicContact CH2-CG 4.5Å; W219-L309 HydrophobicContact CZ2-CD1 4.29Å; W219-L414 HydrophobicContact CH2-CD1 4.15Å; W219-L414 HydrophobicContact CZ2-CD1 3.64Å
220	Y	81.5	Confident	79.3	Confident	26 Å²	26	49.1 Å²	49.1	10%	0.102	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.9	-169.7	-175.3	-108.6	0	0	0	115.2	Y225 I318 K403	Y220-Y225 HydrophobicContact CD2-CD1 4.01Å; Y220-Y225 AromaticContact CD2-CE1 3.88Å; Y220-Y225 HydrophobicContact CD2-CE1 3.88Å; Y220-Y225 HydrophobicContact CD2-CG 4.42Å; Y220-Y225 HydrophobicContact CE2-CD1 4.45Å; Y220-Y225 HydrophobicContact CE2-CE1 4.2Å; Y220-I318 HydrophobicContact CD1-CD1 3.98Å; Y220-I318 HydrophobicContact CE1-CD1 3.31Å; Y220-I318 HydrophobicContact CE1-CG1 4.01Å; Y220-K403 HydrophobicContact CD1-CB 3.67Å; Y220-K403 HydrophobicContact CD1-CD 4.35Å; Y220-K403 HydrophobicContact CD1-CG 3.83Å; Y220-K403 HydrophobicContact CD2-CG 4.1Å; Y220-K403 HydrophobicContact CE1-CB 3.55Å; Y220-K403 HydrophobicContact CE1-CD 3.58Å; Y220-K403 HydrophobicContact CE1-CG 3.56Å; Y220-K403 HydrophobicContact CE2-CD 3.83Å; Y220-K403 HydrophobicContact CE2-CG 3.88Å; Y220-K403 HydrophobicContact CG-CB 4.32Å; Y220-K403 HydrophobicContact CG-CG 4.1Å; Y220-K403 VanDerWaalsContact CZ-CE 3.41Å; Y220-K403 VanDerWaalsContact OH-CD 3.29Å; Y220-K403 WeakPolarHBondContact OH-CD 3.41Å; Y220-K403 VanDerWaalsContact OH-CE 3.24Å; Y220-K403 WeakPolarHBondContact OH-CE 3.22Å; Y220-K403 PolarHBondContact OH-NZ 3.15Å; Y220-K403 VanDerWaalsContact OH-NZ 3.11Å
221	L	81.2	Confident	78.3	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-21.8	-179.2	-67.7	175.3	0	0	0	113.4	W219 L306 L312 I318 A407 I411	W219-L221 PolarHBondContact O-N 3.34Å; W219-L221 VanDerWaalsContact O-N 3.12Å; L221-L306 HydrophobicContact CD1-CD1 3.99Å; L221-L312 HydrophobicContact CB-CD2 4.04Å; L221-L312 WeakPolarHBondContact O-CD2 3.05Å; L221-I318 HydrophobicContact CD2-CB 4.34Å; L221-I318 HydrophobicContact CD2-CG2 3.75Å; L221-A407 HydrophobicContact CD1-CB 4.09Å; L221-A407 HydrophobicContact CD2-CB 3.91Å; L221-A407 HydrophobicContact CG-CB 3.96Å; L221-I411 HydrophobicContact CD1-CD1 4.04Å; L221-I411 HydrophobicContact CD1-CG1 3.95Å
222	T	76.1	Confident	77	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.031	26%	0.263	C	S	.	.	S	Bend	trans	-109.5	158.3	-177.7	67	0	0	0	0	111.6	W219 A224 Y225 L312	W219-T222 HydrophobicContact CD2-CG2 3.6Å; W219-T222 HydrophobicContact CE3-CG2 3.54Å; W219-T222 HydrophobicContact CG-CG2 4.29Å; W219-T222 HydrophobicContact CH2-CG2 3.88Å; W219-T222 HydrophobicContact CZ2-CG2 3.96Å; W219-T222 HydrophobicContact CZ3-CG2 3.69Å; W219-T222 PolarHBondContact O-N 2.99Å; W219-T222 PolarHBondContact O-OG1 3.41Å; T222-A224 PolarHBondContact O-N 3Å; T222-A224 VanDerWaalsContact O-N 3.14Å; T222-A224 WeakPolarHBondContact OG1-CB 3.28Å; T222-A224 PolarHBondContact OG1-N 2.62Å; T222-Y225 WeakPolarHBondContact O-CB 3.36Å; T222-Y225 PolarHBondContact O-N 2.68Å; T222-L312 HydrophobicContact CG2-CD2 3.89Å
223	N	68.5	Low	75.9	Confident	66 Å²	66	54 Å²	54	35%	0.353	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-65.8	-10.2	171.3	-67.9	-9.6	0	0	0	112.6	Y225 D226	N223-Y225 PolarHBondContact O-N 2.96Å; N223-D226 WeakPolarHBondContact O-CB 3.32Å; N223-D226 PolarHBondContact O-N 2.77Å
224	A	67.2	Low	74.9	Confident	10 Å²	10	59.3 Å²	59.3	8%	0.083	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-61.8	-27.1	174.1	0	0	0	0	0	111.7	I209 I213 T222 D226 K227 I228	I209-A224 HydrophobicContact CD1-CB 4.34Å; I209-A224 HydrophobicContact CG2-CB 3.41Å; I209-A224 VanDerWaalsContact CG2-CB 3.41Å; I213-A224 HydrophobicContact CD1-CB 4.24Å; T222-A224 PolarHBondContact O-N 3Å; T222-A224 VanDerWaalsContact O-N 3.14Å; T222-A224 WeakPolarHBondContact OG1-CB 3.28Å; T222-A224 PolarHBondContact OG1-N 2.62Å; A224-D226 PolarHBondContact O-N 2.57Å; A224-K227 WeakPolarHBondContact O-CA 3.44Å; A224-K227 WeakPolarHBondContact O-CB 3.32Å; A224-K227 PolarHBondContact O-N 3.37Å; A224-I228 PolarHBondContact O-N 3.24Å
225	Y	66.8	Low	73.7	Confident	11 Å²	11	59 Å²	59	4%	0.043	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-54.6	-35.2	170.5	-175.6	-112.9	0	0	0	113.1	W219 Y220 T222 N223 K227 I228 K233 L236 L237	W219-Y225 WeakPolarHBondContact O-CB 3.37Å; Y220-Y225 HydrophobicContact CD2-CD1 4.01Å; Y220-Y225 AromaticContact CD2-CE1 3.88Å; Y220-Y225 HydrophobicContact CD2-CE1 3.88Å; Y220-Y225 HydrophobicContact CD2-CG 4.42Å; Y220-Y225 HydrophobicContact CE2-CD1 4.45Å; Y220-Y225 HydrophobicContact CE2-CE1 4.2Å; T222-Y225 WeakPolarHBondContact O-CB 3.36Å; T222-Y225 PolarHBondContact O-N 2.68Å; N223-Y225 PolarHBondContact O-N 2.96Å; Y225-K227 VanDerWaalsContact C-N 3.25Å; Y225-K227 PolarHBondContact O-N 2.56Å; Y225-I228 HydrophobicContact CD2-CD1 4.09Å; Y225-I228 PolarHBondContact O-N 3.41Å; Y225-K233 HydrophobicContact CD1-CG 4.46Å; Y225-K233 HydrophobicContact CE1-CD 4.04Å; Y225-K233 VanDerWaalsContact CE1-CE 3.48Å; Y225-K233 HydrophobicContact CE1-CG 3.65Å; Y225-K233 HydrophobicContact CE2-CG 4.21Å; Y225-K233 VanDerWaalsContact CZ-CG 3.49Å; Y225-K233 VanDerWaalsContact OH-CG 3.31Å; Y225-K233 WeakPolarHBondContact OH-CG 3.45Å; Y225-K233 PolarHBondContact OH-O 3.45Å; Y225-K233 VanDerWaalsContact OH-O 3.05Å; Y225-L236 HydrophobicContact CD2-CD2 4.32Å; Y225-L236 HydrophobicContact CE2-CD2 3.62Å; Y225-L237 VanDerWaalsContact OH-CD1 3.29Å; Y225-L237 WeakPolarHBondContact OH-CD1 3.48Å
226	D	66.8	Low	72.6	Confident	95 Å²	95	58.3 Å²	58.3	51%	0.508	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-75.9	-15.2	178.3	-65.1	-40.5	0	0	0	113.1	N223 A224 K233	N223-D226 WeakPolarHBondContact O-CB 3.32Å; N223-D226 PolarHBondContact O-N 2.77Å; A224-D226 PolarHBondContact O-N 2.57Å; D226-K233 IonicContact OD1-NZ 3.79Å; D226-K233 PolarHBondContact OD1-NZ 3.43Å
227	K	67.4	Low	71.7	Confident	174 Å²	174	59 Å²	59	76%	0.757	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-86.3	-12.3	174.5	-58.8	-177.6	179.8	177.5	0	112.9	A224 Y225	A224-K227 WeakPolarHBondContact O-CA 3.44Å; A224-K227 WeakPolarHBondContact O-CB 3.32Å; A224-K227 PolarHBondContact O-N 3.37Å; Y225-K227 VanDerWaalsContact C-N 3.25Å; Y225-K227 PolarHBondContact O-N 2.56Å
228	I	69.4	Low	71.3	Confident	16 Å²	16	55.3 Å²	55.3	8%	0.082	28%	0.276	C	S	.	.	S	Bend	trans	-73.9	142.2	178.8	-57.5	176	0	0	0	109.1	I213 A224 Y225 F230 V232	I213-I228 HydrophobicContact CD1-CD1 4.22Å; I213-I228 HydrophobicContact CD1-CG1 4.18Å; I213-I228 HydrophobicContact CG1-CD1 4.07Å; I213-I228 HydrophobicContact CG2-CD1 4.23Å; I213-I228 HydrophobicContact CG2-CG1 4.48Å; A224-I228 PolarHBondContact O-N 3.24Å; Y225-I228 HydrophobicContact CD2-CD1 4.09Å; Y225-I228 PolarHBondContact O-N 3.41Å; I228-F230 PolarHBondContact O-N 3.13Å; I228-V232 HydrophobicContact CG2-CB 3.61Å; I228-V232 HydrophobicContact CG2-CG1 3.58Å; I228-V232 HydrophobicContact CG2-CG2 4.37Å
229	P	73	Confident	70.9	Confident	88 Å²	88	59.9 Å²	59.9	57%	0.571	30%	0.3	S	S	*	.			trans	-48	134.3	175.5	-29	35.1	0	0	0	112.7	T231 V232 K233	P229-T231 PolarHBondContact O-N 2.87Å; P229-V232 HydrophobicContact CB-CG2 4.46Å; P229-V232 PolarHBondContact O-N 3.42Å; P229-K233 PolarHBondContact O-N 3.08Å; P229-K233 VanDerWaalsContact O-N 3.08Å
230	F	70.8	Confident	70.4	Confident	122 Å²	122	68.2 Å²	68.2	54%	0.535	34%	0.339	S	S	.	.	H	α-helix	trans	-53.2	-32.8	-174.3	179	-107.3	0	0	0	114	I228 K233 R234	I228-F230 PolarHBondContact O-N 3.13Å; F230-K233 WeakPolarHBondContact O-CB 3.35Å; F230-K233 PolarHBondContact O-N 3.4Å; F230-R234 HydrophobicContact CE1-CG 4.41Å; F230-R234 VanDerWaalsContact CE1-NE 3.34Å; F230-R234 HydrophobicContact CZ-CG 4.3Å; F230-R234 VanDerWaalsContact CZ-NE 3.3Å; F230-R234 VanDerWaalsContact CZ-NH2 3.34Å; F230-R234 PolarHBondContact O-N 3.4Å
231	T	66	Low	70.3	Confident	94 Å²	94	70.6 Å²	70.6	58%	0.577	36%	0.356	S	S	*	.	H	α-helix	trans	-62.8	-45.3	175.5	-48.9	0	0	0	0	112.1	P229 K233 R234 N235	P229-T231 PolarHBondContact O-N 2.87Å; T231-K233 VanDerWaalsContact C-N 3.33Å; T231-R234 PolarHBondContact O-N 3.36Å; T231-N235 WeakPolarHBondContact O-CB 3.26Å; T231-N235 PolarHBondContact O-N 2.88Å; T231-N235 PolarHBondContact O-ND2 3.48Å; T231-N235 PolarHBondContact O-OD1 2.87Å
232	V	64	Low	70.6	Confident	57 Å²	57	71.3 Å²	71.3	35%	0.345	36%	0.359	S	S	.	.	H	α-helix	trans	-67.2	-39.1	176.6	178.3	0	0	0	0	109.9	I228 P229 R234 N235 L236	I228-V232 HydrophobicContact CG2-CB 3.61Å; I228-V232 HydrophobicContact CG2-CG1 3.58Å; I228-V232 HydrophobicContact CG2-CG2 4.37Å; P229-V232 HydrophobicContact CB-CG2 4.46Å; P229-V232 PolarHBondContact O-N 3.42Å; V232-R234 VanDerWaalsContact C-N 3.35Å; V232-R234 PolarHBondContact O-N 3.49Å; V232-N235 PolarHBondContact O-N 2.97Å; V232-L236 WeakPolarHBondContact O-CB 3.15Å; V232-L236 PolarHBondContact O-N 3.47Å
233	K	67.7	Low	71.3	Confident	65 Å²	65	73.2 Å²	73.2	28%	0.283	37%	0.373	S	S	.	.	H	α-helix	trans	-55.6	-46.7	174.5	-168.5	175.9	177.7	164.5	0	112.1	Y225 D226 P229 F230 T231	Y225-K233 HydrophobicContact CD1-CG 4.46Å; Y225-K233 HydrophobicContact CE1-CD 4.04Å; Y225-K233 VanDerWaalsContact CE1-CE 3.48Å; Y225-K233 HydrophobicContact CE1-CG 3.65Å; Y225-K233 HydrophobicContact CE2-CG 4.21Å; Y225-K233 VanDerWaalsContact CZ-CG 3.49Å; Y225-K233 VanDerWaalsContact OH-CG 3.31Å; Y225-K233 WeakPolarHBondContact OH-CG 3.45Å; Y225-K233 PolarHBondContact OH-O 3.45Å; Y225-K233 VanDerWaalsContact OH-O 3.05Å; D226-K233 IonicContact OD1-NZ 3.79Å; D226-K233 PolarHBondContact OD1-NZ 3.43Å; P229-K233 PolarHBondContact O-N 3.08Å; P229-K233 VanDerWaalsContact O-N 3.08Å; F230-K233 WeakPolarHBondContact O-CB 3.35Å; F230-K233 PolarHBondContact O-N 3.4Å; T231-K233 VanDerWaalsContact C-N 3.33Å
234	R	66.9	Low	72.4	Confident	162 Å²	162	70.1 Å²	70.1	61%	0.611	36%	0.356	S	S	*	.	H	α-helix	trans	-65.4	-43.6	175.5	-87.2	-172.5	-178.5	157.7	0.1	112.4	F230 T231 V232 N238	F230-R234 HydrophobicContact CE1-CG 4.41Å; F230-R234 VanDerWaalsContact CE1-NE 3.34Å; F230-R234 HydrophobicContact CZ-CG 4.3Å; F230-R234 VanDerWaalsContact CZ-NE 3.3Å; F230-R234 VanDerWaalsContact CZ-NH2 3.34Å; F230-R234 PolarHBondContact O-N 3.4Å; T231-R234 PolarHBondContact O-N 3.36Å; V232-R234 VanDerWaalsContact C-N 3.35Å; V232-R234 PolarHBondContact O-N 3.49Å; R234-N238 WeakPolarHBondContact O-CB 3.04Å; R234-N238 PolarHBondContact O-N 3.36Å
235	N	65.2	Low	73.8	Confident	76 Å²	76	69.9 Å²	69.9	41%	0.406	35%	0.354	S	S	.	.	H	α-helix	trans	-72.7	-29.5	-175.7	-67.1	-6.4	0	0	0	112.6	T231 V232 L237 T241	T231-N235 WeakPolarHBondContact O-CB 3.26Å; T231-N235 PolarHBondContact O-N 2.88Å; T231-N235 PolarHBondContact O-ND2 3.48Å; T231-N235 PolarHBondContact O-OD1 2.87Å; V232-N235 PolarHBondContact O-N 2.97Å; N235-L237 PolarHBondContact O-N 3.26Å; N235-T241 PolarHBondContact O-OG1 2.88Å
236	L	68.3	Low	75	Confident	16 Å²	16	72.5 Å²	72.5	8%	0.084	37%	0.374	C	S	.	.	H	α-helix	trans	-65.1	-26.6	-179.4	-168.2	67.5	0	0	0	112.4	K217 Y225 V232 F242	K217-L236 HydrophobicContact CB-CD1 3.68Å; K217-L236 WeakPolarHBondContact O-CD1 3.28Å; Y225-L236 HydrophobicContact CD2-CD2 4.32Å; Y225-L236 HydrophobicContact CE2-CD2 3.62Å; V232-L236 WeakPolarHBondContact O-CB 3.15Å; V232-L236 PolarHBondContact O-N 3.47Å; L236-F242 WeakPolarHBondContact O-CD2 3.14Å
237	L	72.4	Confident	76.3	Confident	20 Å²	20	68.4 Å²	68.4	11%	0.105	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	17.1	-175.6	-58.9	175.7	0	0	0	112.2	Y225 N235 R402 K403	Y225-L237 VanDerWaalsContact OH-CD1 3.29Å; Y225-L237 WeakPolarHBondContact OH-CD1 3.48Å; N235-L237 PolarHBondContact O-N 3.26Å; L237-R402 VanDerWaalsContact C-NH1 3.35Å; L237-R402 HydrophobicContact CD2-CB 4.5Å; L237-R402 VanDerWaalsContact O-CZ 3.31Å; L237-R402 PolarHBondContact O-NH1 3.26Å; L237-K403 HydrophobicContact CD1-CD 4.33Å; L237-K403 HydrophobicContact CD1-CG 3.86Å; L237-K403 HydrophobicContact CD2-CG 3.86Å
238	N	74.2	Confident	77.7	Confident	58 Å²	58	60.2 Å²	60.2	31%	0.31	32%	0.316	S	S	.	.			trans	-85.5	136.3	173.1	-178.7	10.1	0	0	0	109.3	R234 E240 T241 F242 R402	R234-N238 WeakPolarHBondContact O-CB 3.04Å; R234-N238 PolarHBondContact O-N 3.36Å; N238-E240 PolarHBondContact O-N 2.89Å; N238-E240 PolarHBondContact OD1-N 3.21Å; N238-T241 WeakPolarHBondContact CB-OG1 3.35Å; N238-T241 PolarHBondContact O-N 3.21Å; N238-F242 WeakPolarHBondContact O-CB 3.31Å; N238-F242 PolarHBondContact O-N 2.94Å; N238-R402 PolarHBondContact O-NH1 3.24Å
239	D	72.1	Confident	78.9	Confident	95 Å²	95	61.3 Å²	61.3	51%	0.508	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-36.2	-174.2	-73.3	-65.5	0	0	0	111	T241 R402	D239-T241 VanDerWaalsContact C-N 3.29Å; D239-T241 PolarHBondContact O-N 3.36Å; D239-R402 IonicContact OD1-CZ 3.77Å; D239-R402 IonicContact OD1-NE 2.81Å; D239-R402 PolarHBondContact OD1-NE 2.69Å; D239-R402 IonicContact OD1-NH1 3.51Å; D239-R402 PolarHBondContact OD1-NH1 2.9Å; D239-R402 IonicContact OD1-NH2 3.94Å; D239-R402 PolarHBondContact OD1-NH2 2.91Å; D239-R402 IonicContact OD2-CZ 2.63Å; D239-R402 IonicContact OD2-NH1 2.76Å; D239-R402 PolarHBondContact OD2-NH1 3.1Å; D239-R402 IonicContact OD2-NH2 3.84Å; D239-R402 PolarHBondContact OD2-NH2 3.41Å
240	E	73.9	Confident	80	Confident	176 Å²	176	57.7 Å²	57.7	82%	0.822	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.5	-178.1	-61.6	179	168.9	0	0	113.5	N238	N238-E240 PolarHBondContact O-N 2.89Å; N238-E240 PolarHBondContact OD1-N 3.21Å
241	T	79	Confident	81.2	Confident	75 Å²	75	52 Å²	52	46%	0.46	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-13.1	-172.9	54.9	0	0	0	0	113.9	N235 N238 D239 S243	N235-T241 PolarHBondContact O-OG1 2.88Å; N238-T241 WeakPolarHBondContact CB-OG1 3.35Å; N238-T241 PolarHBondContact O-N 3.21Å; D239-T241 VanDerWaalsContact C-N 3.29Å; D239-T241 PolarHBondContact O-N 3.36Å; T241-S243 PolarHBondContact O-N 3.45Å
242	F	86.1	Confident	82.7	Confident	17 Å²	17	47.5 Å²	47.5	8%	0.075	25%	0.246	C	C	.	.			trans	-78.2	109	176.9	-170.8	-100.2	0	0	0	110.5	L236 N238 L244 L247 M396 R402	L236-F242 WeakPolarHBondContact O-CD2 3.14Å; N238-F242 WeakPolarHBondContact O-CB 3.31Å; N238-F242 PolarHBondContact O-N 2.94Å; F242-L244 HydrophobicContact CE1-CD2 4.25Å; F242-L247 HydrophobicContact CE2-CD2 4.43Å; F242-L247 HydrophobicContact CZ-CD2 3.79Å; F242-M396 HydrophobicContact CD1-SD 3.62Å; F242-M396 HydrophobicContact CE1-SD 3.8Å; F242-R402 HydrophobicContact CD1-CB 4.23Å; F242-R402 HydrophobicContact CD1-CG 3.68Å; F242-R402 HydrophobicContact CE1-CB 3.99Å; F242-R402 HydrophobicContact CE1-CG 3.73Å; F242-R402 HydrophobicContact CE2-CB 4.5Å; F242-R402 HydrophobicContact CG-CG 4.29Å; F242-R402 HydrophobicContact CZ-CB 4.08Å; F242-R402 HydrophobicContact CZ-CG 4.34Å
243	S	90.7	Very high	84.1	Confident	44 Å²	44	45.1 Å²	45.1	31%	0.308	23%	0.231	S	C	.	.			trans	-113.1	121.8	179.6	167.8	0	0	0	0	110.1	T241 T245 S246 L247	T241-S243 PolarHBondContact O-N 3.45Å; S243-T245 VanDerWaalsContact C-N 3.29Å; S243-T245 PolarHBondContact O-N 2.83Å; S243-T245 PolarHBondContact OG-N 3.18Å; S243-S246 PolarHBondContact O-N 3.37Å; S243-S246 PolarHBondContact OG-N 3.31Å; S243-L247 PolarHBondContact O-N 3.36Å
244	L	93.4	Very high	85.4	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-36.3	172	-82.3	176.4	0	0	0	111.8	F242 S246 L247 F248 L353 I354 H392 M396 L405	F242-L244 HydrophobicContact CE1-CD2 4.25Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-S246 PolarHBondContact O-N 3.19Å; L244-L247 HydrophobicContact CD2-CD2 3.87Å; L244-L247 PolarHBondContact O-N 2.86Å; L244-F248 HydrophobicContact CD2-CE1 4.3Å; L244-F248 HydrophobicContact CD2-CE2 4.25Å; L244-F248 HydrophobicContact CD2-CZ 4Å; L244-F248 WeakPolarHBondContact O-CB 3.27Å; L244-F248 WeakPolarHBondContact O-CG 3.22Å; L244-F248 PolarHBondContact O-N 2.9Å; L244-L353 HydrophobicContact CD1-CB 4.14Å; L244-L353 HydrophobicContact CD1-CD1 3.88Å; L244-I354 HydrophobicContact CB-CD1 3.92Å; L244-H392 HydrophobicContact CD1-CB 4.22Å; L244-M396 HydrophobicContact CD1-CG 3.83Å; L244-M396 HydrophobicContact CD1-SD 3.74Å; L244-M396 HydrophobicContact CD2-SD 4.48Å; L244-M396 HydrophobicContact CG-CG 4.35Å; L244-M396 HydrophobicContact CG-SD 3.62Å; L244-L405 HydrophobicContact CD2-CB 4.48Å; L244-L405 HydrophobicContact CD2-CD1 4.22Å
245	T	95	Very high	86.5	Confident	6 Å²	6	37.3 Å²	37.3	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-54.1	-48.6	172.3	-53.9	0	0	0	0	111.5	S243 L249 D355 V358 L359	S243-T245 VanDerWaalsContact C-N 3.29Å; S243-T245 PolarHBondContact O-N 2.83Å; S243-T245 PolarHBondContact OG-N 3.18Å; T245-L249 PolarHBondContact O-N 3.06Å; T245-L249 VanDerWaalsContact O-N 3.17Å; T245-D355 PolarHBondContact OG1-N 2.83Å; T245-V358 HydrophobicContact CG2-CG1 4.4Å; T245-L359 HydrophobicContact CG2-CB 4Å; T245-L359 HydrophobicContact CG2-CD1 4.05Å
246	S	92.8	Very high	88	Confident	65 Å²	65	34 Å²	34	46%	0.455	19%	0.192	S	C	.	.	H	α-helix	trans	-69.3	-36.5	179.2	-64.9	0	0	0	0	112.8	S243 L244	S243-S246 PolarHBondContact O-N 3.37Å; S243-S246 PolarHBondContact OG-N 3.31Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-S246 PolarHBondContact O-N 3.19Å
247	L	93.8	Very high	89.3	Confident	10 Å²	10	34 Å²	34	5%	0.052	19%	0.194	C	C	.	.	H	α-helix	trans	-67.1	-40.9	179.3	-178.5	69.8	0	0	0	111.8	F216 F242 S243 L244 T409	F216-L247 HydrophobicContact CD1-CD1 4.04Å; F216-L247 WeakPolarHBondContact CD1-O 3.32Å; F216-L247 WeakPolarHBondContact CE1-O 3.06Å; F242-L247 HydrophobicContact CE2-CD2 4.43Å; F242-L247 HydrophobicContact CZ-CD2 3.79Å; S243-L247 PolarHBondContact O-N 3.36Å; L244-L247 HydrophobicContact CD2-CD2 3.87Å; L244-L247 PolarHBondContact O-N 2.86Å; L247-T409 WeakPolarHBondContact CD2-OG1 3.41Å; L247-T409 HydrophobicContact CG-CG2 4.12Å
248	F	96.1	Very high	90.4	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-81.9	-23.8	-176.1	-75	-16.7	0	0	0	113.9	L244 L251 L252 T258 L260 F261 I354 T409	L244-F248 HydrophobicContact CD2-CE1 4.3Å; L244-F248 HydrophobicContact CD2-CE2 4.25Å; L244-F248 HydrophobicContact CD2-CZ 4Å; L244-F248 WeakPolarHBondContact O-CB 3.27Å; L244-F248 WeakPolarHBondContact O-CG 3.22Å; L244-F248 PolarHBondContact O-N 2.9Å; F248-L251 PolarHBondContact O-N 3.45Å; F248-L251 VanDerWaalsContact O-N 3.11Å; F248-L252 WeakPolarHBondContact O-CB 3.47Å; F248-L252 PolarHBondContact O-N 3Å; F248-T258 HydrophobicContact CB-CG2 3.69Å; F248-T258 HydrophobicContact CD1-CG2 4.35Å; F248-T258 HydrophobicContact CD2-CG2 4.13Å; F248-T258 HydrophobicContact CG-CG2 3.83Å; F248-L260 HydrophobicContact CE2-CB 3.66Å; F248-L260 HydrophobicContact CE2-CD1 4.19Å; F248-L260 HydrophobicContact CZ-CB 4.1Å; F248-F261 HydrophobicContact CD2-CE1 4.17Å; F248-I354 HydrophobicContact CD2-CD1 4.01Å; F248-I354 HydrophobicContact CE2-CD1 4.29Å; F248-T409 HydrophobicContact CD1-CG2 4.01Å; F248-T409 HydrophobicContact CE1-CG2 4.42Å; F248-T409 WeakPolarHBondContact CE1-OG1 3.45Å
249	L	95.9	Very high	91.4	Very high	39 Å²	39	30.5 Å²	30.5	20%	0.204	18%	0.175	C	C	.	.	H	α-helix	trans	-53.2	-46.3	-175.5	-178.8	65.3	0	0	0	113.8	T245 L251 L252 L253 L359 I363	T245-L249 PolarHBondContact O-N 3.06Å; T245-L249 VanDerWaalsContact O-N 3.17Å; L249-L251 PolarHBondContact O-N 3.26Å; L249-L252 PolarHBondContact O-N 3.35Å; L249-L253 HydrophobicContact CD1-CD1 4.06Å; L249-L253 HydrophobicContact CD1-CG 4.12Å; L249-L253 HydrophobicContact CG-CD1 4.07Å; L249-L253 WeakPolarHBondContact O-CB 3.41Å; L249-L253 WeakPolarHBondContact O-CG 3.04Å; L249-L253 PolarHBondContact O-N 2.99Å; L249-L359 HydrophobicContact CD1-CD1 4.29Å; L249-I363 HydrophobicContact CD1-CG1 4.41Å
250	P	95.9	Very high	92.5	Very high	12 Å²	12	26 Å²	26	8%	0.078	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-41.2	178.2	-21.3	32.6	0	0	0	113.2	L215 F216 L253 Q254 Y539	L215-P250 HydrophobicContact CB-CB 4.02Å; L215-P250 HydrophobicContact CB-CG 4.18Å; L215-P250 HydrophobicContact CD1-CB 4.45Å; L215-P250 HydrophobicContact CD2-CB 4.4Å; L215-P250 WeakPolarHBondContact O-CG 3.26Å; F216-P250 HydrophobicContact CD1-CG 4.47Å; F216-P250 HydrophobicContact CE1-CB 4.06Å; F216-P250 HydrophobicContact CE1-CG 4.18Å; F216-P250 HydrophobicContact CZ-CB 3.95Å; P250-L253 PolarHBondContact O-N 2.93Å; P250-Q254 WeakPolarHBondContact O-CB 3.47Å; P250-Q254 PolarHBondContact O-N 2.98Å; P250-Y539 WeakPolarHBondContact CA-OH 3.49Å; P250-Y539 HydrophobicContact CB-CE2 4.46Å; P250-Y539 WeakPolarHBondContact O-CE2 3.4Å
251	L	96.5	Very high	93.6	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-67.7	-40.8	178.1	178.4	60.1	0	0	0	111.4	F248 L249 Q254 S255 S257 T409 F413 N416	F248-L251 PolarHBondContact O-N 3.45Å; F248-L251 VanDerWaalsContact O-N 3.11Å; L249-L251 PolarHBondContact O-N 3.26Å; L251-Q254 VanDerWaalsContact O-CB 3.3Å; L251-Q254 WeakPolarHBondContact O-CB 3.27Å; L251-Q254 PolarHBondContact O-N 3.32Å; L251-Q254 VanDerWaalsContact O-N 3.14Å; L251-S255 PolarHBondContact O-N 3.36Å; L251-S255 VanDerWaalsContact O-N 3.15Å; L251-S255 PolarHBondContact O-OG 2.9Å; L251-S257 WeakPolarHBondContact CG-O 3.4Å; L251-T409 HydrophobicContact CB-CG2 4.22Å; L251-T409 HydrophobicContact CD2-CG2 3.84Å; L251-F413 HydrophobicContact CD1-CB 4.11Å; L251-F413 HydrophobicContact CD1-CD2 4.45Å; L251-N416 WeakPolarHBondContact CD1-ND2 3.15Å
252	L	96.4	Very high	94.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.9	-43.5	175.7	-172.2	70.8	0	0	0	111.3	F248 L249 Q254 G256 T258 F261 L263 L359 I363	F248-L252 WeakPolarHBondContact O-CB 3.47Å; F248-L252 PolarHBondContact O-N 3Å; L249-L252 PolarHBondContact O-N 3.35Å; L252-Q254 PolarHBondContact O-N 2.88Å; L252-G256 WeakPolarHBondContact O-CA 3.35Å; L252-G256 PolarHBondContact O-N 2.9Å; L252-T258 HydrophobicContact CB-CG2 4.07Å; L252-T258 HydrophobicContact CD1-CG2 4.08Å; L252-F261 HydrophobicContact CD1-CE2 4Å; L252-F261 HydrophobicContact CD1-CZ 4.45Å; L252-F261 HydrophobicContact CD2-CE2 4.11Å; L252-F261 HydrophobicContact CD2-CZ 4.17Å; L252-L263 HydrophobicContact CD1-CB 4Å; L252-L359 HydrophobicContact CD2-CD1 3.82Å; L252-L359 HydrophobicContact CD2-CD2 4.06Å; L252-L359 HydrophobicContact CD2-CG 4.17Å; L252-I363 HydrophobicContact CD2-CD1 3.62Å
253	L	94.8	Very high	95	Very high	7 Å²	7	14.1 Å²	14.1	4%	0.037	9%	0.092	C	C	.	.	H	α-helix	trans	-64.4	-29.6	173.8	-73.8	172.8	0	0	0	112	L249 P250 K543 F546 L547	L249-L253 HydrophobicContact CD1-CD1 4.06Å; L249-L253 HydrophobicContact CD1-CG 4.12Å; L249-L253 HydrophobicContact CG-CD1 4.07Å; L249-L253 WeakPolarHBondContact O-CB 3.41Å; L249-L253 WeakPolarHBondContact O-CG 3.04Å; L249-L253 PolarHBondContact O-N 2.99Å; P250-L253 PolarHBondContact O-N 2.93Å; L253-K543 HydrophobicContact CB-CG 4.2Å; L253-K543 HydrophobicContact CD1-CD 4.3Å; L253-K543 HydrophobicContact CD2-CG 4.43Å; L253-K543 VanDerWaalsContact O-CA 3.25Å; L253-K543 WeakPolarHBondContact O-CA 3.46Å; L253-F546 HydrophobicContact CD2-CD1 4.18Å; L253-F546 HydrophobicContact CD2-CE1 4.26Å; L253-F546 VanDerWaalsContact O-CB 3.27Å; L253-F546 WeakPolarHBondContact O-CB 3.49Å; L253-L547 HydrophobicContact CD2-CD2 4.21Å
254	Q	93.5	Very high	95.1	Very high	11 Å²	11	18.5 Å²	18.5	5%	0.051	11%	0.106	C	C	.	.	H	α-helix	trans	-70.4	-43.3	179.5	-166.1	-169.6	27.5	0	0	113.2	P250 L251 L252 F413 N416 Y539 Q542	P250-Q254 WeakPolarHBondContact O-CB 3.47Å; P250-Q254 PolarHBondContact O-N 2.98Å; L251-Q254 VanDerWaalsContact O-CB 3.3Å; L251-Q254 WeakPolarHBondContact O-CB 3.27Å; L251-Q254 PolarHBondContact O-N 3.32Å; L251-Q254 VanDerWaalsContact O-N 3.14Å; L252-Q254 PolarHBondContact O-N 2.88Å; Q254-F413 HydrophobicContact CB-CD2 4.46Å; Q254-F413 HydrophobicContact CB-CE2 4.34Å; Q254-F413 VanDerWaalsContact CD-CD2 3.43Å; Q254-F413 HydrophobicContact CG-CD2 4.4Å; Q254-F413 HydrophobicContact CG-CE2 4.18Å; Q254-F413 PolarHBondContact NE2-O 3.12Å; Q254-N416 HydrophobicContact CG-CB 4.46Å; Q254-N416 PolarHBondContact OE1-ND2 3.5Å; Q254-N416 VanDerWaalsContact OE1-ND2 3.11Å; Q254-Y539 HydrophobicContact CB-CE2 4.31Å; Q254-Q542 HydrophobicContact CG-CB 3.92Å; Q254-Q542 HydrophobicContact CG-CG 4.46Å
255	S	91.6	Very high	95	Very high	52 Å²	52	19 Å²	19	36%	0.364	11%	0.109	S	C	.	.	H	α-helix	trans	-134.5	-8.6	-166.3	67	0	0	0	0	115.1	L251 S257	L251-S255 PolarHBondContact O-N 3.36Å; L251-S255 VanDerWaalsContact O-N 3.15Å; L251-S255 PolarHBondContact O-OG 2.9Å; S255-S257 PolarHBondContact O-N 3.32Å; S255-S257 PolarHBondContact OG-N 3.41Å; S255-S257 VanDerWaalsContact OG-N 3.13Å; S255-S257 PolarHBondContact OG-O 3.02Å
256	G	94.7	Very high	94.5	Very high	6 Å²	6	20.5 Å²	20.5	6%	0.062	12%	0.118	C	C	.	.	S	Bend	trans	71.9	7.9	-167.9	0	0	0	0	0	114.3	L252 S262 L263	L252-G256 WeakPolarHBondContact O-CA 3.35Å; L252-G256 PolarHBondContact O-N 2.9Å; G256-S262 WeakPolarHBondContact O-CA 3.4Å; G256-L263 PolarHBondContact O-N 2.85Å
257	S	96.4	Very high	93.8	Very high	18 Å²	18	19.4 Å²	19.4	13%	0.126	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-141.1	139.1	-176.4	-170.2	0	0	0	0	113.1	L251 S255 S262 S279	L251-S257 WeakPolarHBondContact CG-O 3.4Å; S255-S257 PolarHBondContact O-N 3.32Å; S255-S257 PolarHBondContact OG-N 3.41Å; S255-S257 VanDerWaalsContact OG-N 3.13Å; S255-S257 PolarHBondContact OG-O 3.02Å; S257-S262 WeakPolarHBondContact CB-OG 3.38Å; S257-S262 PolarHBondContact OG-OG 3.11Å; S257-S279 VanDerWaalsContact OG-CB 3.26Å; S257-S279 WeakPolarHBondContact OG-CB 3.46Å; S257-S279 PolarHBondContact OG-N 2.86Å
258	T	96.6	Very high	92.7	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.142	C	C	.	.			trans	-115.3	-176.9	173	71.8	0	0	0	0	109.2	F248 L252 L260 F261 G278 S279	F248-T258 HydrophobicContact CB-CG2 3.69Å; F248-T258 HydrophobicContact CD1-CG2 4.35Å; F248-T258 HydrophobicContact CD2-CG2 4.13Å; F248-T258 HydrophobicContact CG-CG2 3.83Å; L252-T258 HydrophobicContact CB-CG2 4.07Å; L252-T258 HydrophobicContact CD1-CG2 4.08Å; T258-L260 VanDerWaalsContact C-N 3.28Å; T258-L260 PolarHBondContact OG1-N 3.15Å; T258-F261 HydrophobicContact CG2-CE1 4.31Å; T258-F261 HydrophobicContact CG2-CZ 4.4Å; T258-F261 PolarHBondContact N-O 3.38Å; T258-F261 PolarHBondContact OG1-N 3.38Å; T258-F261 PolarHBondContact OG1-O 3.42Å; T258-G278 CarbonylContact O-C 3.52Å; T258-G278 VanDerWaalsContact O-C 3.31Å; T258-G278 WeakPolarHBondContact O-CA 3.42Å; T258-S279 PolarHBondContact O-N 2.87Å
259	T	93.8	Very high	91.6	Very high	3 Å²	3	29 Å²	29	2%	0.018	17%	0.174	C	C	.	.	S	Bend	trans	-80.7	-7.6	173.4	57.1	0	0	0	0	113.8	F283 M408 S412	T259-F283 HydrophobicContact CG2-CE2 4.36Å; T259-M408 HydrophobicContact CG2-CE 3.73Å; T259-M408 HydrophobicContact CG2-CG 4.06Å; T259-M408 HydrophobicContact CG2-SD 4.17Å; T259-S412 WeakPolarHBondContact CG2-OG 3.34Å
260	L	96.4	Very high	90.8	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-102.4	-50.4	178.7	-170.3	151.9	0	0	0	111.1	F248 T258 G278 L385 V388 H392	F248-L260 HydrophobicContact CE2-CB 3.66Å; F248-L260 HydrophobicContact CE2-CD1 4.19Å; F248-L260 HydrophobicContact CZ-CB 4.1Å; T258-L260 VanDerWaalsContact C-N 3.28Å; T258-L260 PolarHBondContact OG1-N 3.15Å; L260-G278 PolarHBondContact O-N 3Å; L260-L385 HydrophobicContact CD2-CD1 4.01Å; L260-V388 HydrophobicContact CG-CG1 4.29Å; L260-H392 HydrophobicContact CD1-CB 3.9Å
261	F	97	Very high	90.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	159.8	-178	69.2	-79.4	0	0	0	112.1	F248 L252 T258 L263 I275 S276 G278 I354 W356 L359 L385	F248-F261 HydrophobicContact CD2-CE1 4.17Å; L252-F261 HydrophobicContact CD1-CE2 4Å; L252-F261 HydrophobicContact CD1-CZ 4.45Å; L252-F261 HydrophobicContact CD2-CE2 4.11Å; L252-F261 HydrophobicContact CD2-CZ 4.17Å; T258-F261 HydrophobicContact CG2-CE1 4.31Å; T258-F261 HydrophobicContact CG2-CZ 4.4Å; T258-F261 PolarHBondContact N-O 3.38Å; T258-F261 PolarHBondContact OG1-N 3.38Å; T258-F261 PolarHBondContact OG1-O 3.42Å; F261-L263 HydrophobicContact CE2-CB 4.36Å; F261-I275 HydrophobicContact CB-CG2 4.13Å; F261-I275 HydrophobicContact CD2-CD1 4.4Å; F261-I275 HydrophobicContact CD2-CG2 4.42Å; F261-S276 CarbonylContact C-O 3.55Å; F261-S276 VanDerWaalsContact CA-O 3.23Å; F261-S276 WeakPolarHBondContact CA-O 3.36Å; F261-S276 WeakPolarHBondContact CB-O 3.41Å; F261-G278 VanDerWaalsContact C-CA 3.49Å; F261-I354 HydrophobicContact CE1-CD1 4.27Å; F261-I354 HydrophobicContact CE1-CG1 4.21Å; F261-W356 HydrophobicContact CD1-CH2 4.12Å; F261-W356 HydrophobicContact CD2-CH2 4Å; F261-W356 HydrophobicContact CD2-CZ3 4.03Å; F261-W356 HydrophobicContact CE1-CH2 4.3Å; F261-W356 HydrophobicContact CE2-CH2 4.2Å; F261-W356 AromaticContact CE2-CZ3 3.87Å; F261-W356 HydrophobicContact CE2-CZ3 3.87Å; F261-W356 AromaticContact CG-CH2 3.97Å; F261-W356 HydrophobicContact CG-CH2 3.97Å; F261-W356 HydrophobicContact CG-CZ3 4.44Å; F261-W356 HydrophobicContact CZ-CH2 4.35Å; F261-W356 HydrophobicContact CZ-CZ3 4.12Å; F261-L359 HydrophobicContact CE2-CD2 3.84Å; F261-L359 HydrophobicContact CZ-CD2 3.49Å; F261-L359 VanDerWaalsContact CZ-CD2 3.49Å; F261-L385 HydrophobicContact CB-CD1 4.12Å
262	S	97.1	Very high	90.1	Very high	15 Å²	15	34 Å²	34	11%	0.105	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.1	166.7	-53.4	0	0	0	0	109.6	G256 S257 I275 S276 L277	G256-S262 WeakPolarHBondContact O-CA 3.4Å; S257-S262 WeakPolarHBondContact CB-OG 3.38Å; S257-S262 PolarHBondContact OG-OG 3.11Å; S262-I275 WeakPolarHBondContact O-CA 3.18Å; S262-S276 PolarHBondContact N-O 3.04Å; S262-S276 PolarHBondContact O-N 3.33Å; S262-L277 PolarHBondContact OG-O 3.37Å
263	L	96.2	Very high	90	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.6	177.5	-173.2	151.9	0	0	0	109.6	L252 G256 F261 I273 D274 I275 F360 I363 F546 I550	L252-L263 HydrophobicContact CD1-CB 4Å; G256-L263 PolarHBondContact O-N 2.85Å; F261-L263 HydrophobicContact CE2-CB 4.36Å; L263-I273 HydrophobicContact CD1-CG2 4.18Å; L263-I273 HydrophobicContact CG-CG2 4.2Å; L263-D274 WeakPolarHBondContact CA-O 3.26Å; L263-I275 HydrophobicContact CB-CD1 4.15Å; L263-I275 HydrophobicContact CD1-CD1 3.86Å; L263-I275 HydrophobicContact CG-CD1 3.94Å; L263-F360 HydrophobicContact CD1-CD1 4.05Å; L263-F360 HydrophobicContact CD1-CE1 3.63Å; L263-I363 HydrophobicContact CD1-CD1 3.95Å; L263-F546 HydrophobicContact CD2-CZ 4.14Å; L263-I550 HydrophobicContact CD2-CD1 4.26Å
264	K	93.2	Very high	90	Very high	137 Å²	137	34.8 Å²	34.8	60%	0.596	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	161.3	168.7	-66.5	-178.3	-178.8	175.6	0	109.4	D274	K264-D274 PolarHBondContact N-O 2.91Å; K264-D274 PolarHBondContact O-N 3.06Å
265	L	90.8	Very high	90.2	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.063	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.1	166.8	-161.5	80.1	0	0	0	107.8	P271 S272 I273 F364 M375 I550 S553 L554	L265-P271 HydrophobicContact CD2-CB 4.29Å; L265-S272 WeakPolarHBondContact CA-O 3.48Å; L265-S272 WeakPolarHBondContact CD1-O 3.18Å; L265-I273 HydrophobicContact CD1-CB 4.46Å; L265-I273 HydrophobicContact CD1-CG1 3.75Å; L265-F364 HydrophobicContact CD1-CZ 4.44Å; L265-M375 HydrophobicContact CD1-SD 3.96Å; L265-I550 HydrophobicContact CB-CG2 4.04Å; L265-I550 HydrophobicContact CD2-CG2 3.89Å; L265-I550 HydrophobicContact CG-CG2 4.49Å; L265-S553 VanDerWaalsContact O-CB 3.31Å; L265-S553 WeakPolarHBondContact O-CB 3.39Å; L265-S553 PolarHBondContact O-OG 2.85Å; L265-L554 HydrophobicContact CD2-CD1 4.4Å; L265-L554 HydrophobicContact CD2-CD2 3.24Å; L265-L554 HydrophobicContact CD2-CG 3.44Å; L265-L554 VanDerWaalsContact CD2-CG 3.44Å
266	V	84.6	Confident	90.4	Very high	37 Å²	37	33.4 Å²	33.4	22%	0.224	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	151.4	177.2	-60.9	0	0	0	0	108.9	P271 S272 D274 I378	V266-P271 WeakPolarHBondContact O-CA 3.35Å; V266-S272 VanDerWaalsContact CG2-OG 3.25Å; V266-S272 WeakPolarHBondContact CG2-OG 3.41Å; V266-S272 PolarHBondContact N-O 3.21Å; V266-S272 PolarHBondContact O-N 2.69Å; V266-D274 HydrophobicContact CG1-CB 4.13Å; V266-D274 HydrophobicContact CG2-CB 4.22Å; V266-I378 HydrophobicContact CG2-CD1 4.35Å
267	N	79.8	Confident	90.4	Very high	41 Å²	41	34.5 Å²	34.5	22%	0.219	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	94.4	-179.9	-171.3	-10.5	0	0	0	109.8	G269 N270 S553 T556	N267-G269 VanDerWaalsContact C-N 3.31Å; N267-G269 VanDerWaalsContact OD1-C 3.31Å; N267-G269 PolarHBondContact OD1-N 3.4Å; N267-G269 VanDerWaalsContact OD1-N 3.12Å; N267-N270 PolarHBondContact OD1-N 3.05Å; N267-S553 WeakPolarHBondContact CB-O 3.4Å; N267-S553 PolarHBondContact ND2-O 3.44Å; N267-T556 WeakPolarHBondContact ND2-CG2 3.44Å
268	D	69.4	Low	90.3	Very high	149 Å²	149	34.3 Å²	34.3	80%	0.797	20%	0.203	S	C	*	.	S	Bend	trans	-99.8	47.6	174.4	-58.4	-26.6	0	0	0	109.4
269	G	72.2	Confident	90.1	Very high	65 Å²	65	36 Å²	36	67%	0.67	21%	0.214	S	C	*	.	S	Bend	trans	96.7	-23.5	-174.4	0	0	0	0	0	114.5	N267	N267-G269 VanDerWaalsContact C-N 3.31Å; N267-G269 VanDerWaalsContact OD1-C 3.31Å; N267-G269 PolarHBondContact OD1-N 3.4Å; N267-G269 VanDerWaalsContact OD1-N 3.12Å
270	N	80.6	Confident	90.1	Very high	122 Å²	122	36.5 Å²	36.5	65%	0.652	22%	0.217	S	C	*	.	S	Bend	trans	-135.1	132.1	166.1	-78.7	-45.2	0	0	0	110	N267 S272	N267-N270 PolarHBondContact OD1-N 3.05Å; N270-S272 PolarHBondContact O-N 3.41Å
271	P	86.1	Confident	89.8	Confident	32 Å²	32	41.9 Å²	41.9	21%	0.208	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	130.1	176.4	-21.5	30.6	0	0	0	112.2	L265 V266 M375 L554	L265-P271 HydrophobicContact CD2-CB 4.29Å; V266-P271 WeakPolarHBondContact O-CA 3.35Å; P271-M375 HydrophobicContact CB-CE 4.17Å; P271-L554 HydrophobicContact CB-CD2 4.21Å
272	S	91.3	Very high	89.4	Confident	4 Å²	4	42 Å²	42	3%	0.028	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.9	176.9	56.8	0	0	0	0	111.5	L265 V266 N270 E376 I378	L265-S272 WeakPolarHBondContact CA-O 3.48Å; L265-S272 WeakPolarHBondContact CD1-O 3.18Å; V266-S272 VanDerWaalsContact CG2-OG 3.25Å; V266-S272 WeakPolarHBondContact CG2-OG 3.41Å; V266-S272 PolarHBondContact N-O 3.21Å; V266-S272 PolarHBondContact O-N 2.69Å; N270-S272 PolarHBondContact O-N 3.41Å; S272-E376 CarbonylContact C-O 3.49Å; S272-E376 VanDerWaalsContact CA-O 3.3Å; S272-E376 WeakPolarHBondContact CA-O 3.49Å; S272-E376 WeakPolarHBondContact CB-O 3.09Å; S272-I378 WeakPolarHBondContact OG-CD1 2.96Å
273	I	94.8	Very high	89.2	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.5	178.7	-58.8	171	0	0	0	108	L263 L265 I275 F360 F364 M375 E376 I377 I378	L263-I273 HydrophobicContact CD1-CG2 4.18Å; L263-I273 HydrophobicContact CG-CG2 4.2Å; L265-I273 HydrophobicContact CD1-CB 4.46Å; L265-I273 HydrophobicContact CD1-CG1 3.75Å; I273-I275 HydrophobicContact CG2-CD1 4Å; I273-I275 HydrophobicContact CG2-CG1 4.38Å; I273-F360 HydrophobicContact CD1-CD2 4.26Å; I273-F360 HydrophobicContact CD1-CE2 4.22Å; I273-F360 HydrophobicContact CD1-CG 4.49Å; I273-F360 HydrophobicContact CD1-CZ 4.4Å; I273-F360 HydrophobicContact CG2-CE1 4.09Å; I273-F360 HydrophobicContact CG2-CZ 4.04Å; I273-F364 HydrophobicContact CD1-CE2 3.79Å; I273-F364 HydrophobicContact CD1-CZ 4.01Å; I273-F364 HydrophobicContact CG1-CE2 4.44Å; I273-F364 HydrophobicContact CG1-CZ 4.21Å; I273-M375 HydrophobicContact CD1-CB 4.35Å; I273-M375 HydrophobicContact CG1-CB 4.3Å; I273-M375 HydrophobicContact CG1-SD 4.25Å; I273-E376 PolarHBondContact N-O 3.09Å; I273-I377 HydrophobicContact CB-CG1 4.45Å; I273-I377 CarbonylContact O-C 3.58Å; I273-I377 WeakPolarHBondContact O-CA 3.34Å; I273-I378 PolarHBondContact O-N 3.08Å
274	D	95	Very high	88.7	Confident	21 Å²	21	45 Å²	45	11%	0.112	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.1	178.7	-170.7	-37.4	0	0	0	110	L263 K264 V266 H380	L263-D274 WeakPolarHBondContact CA-O 3.26Å; K264-D274 PolarHBondContact N-O 2.91Å; K264-D274 PolarHBondContact O-N 3.06Å; V266-D274 HydrophobicContact CG1-CB 4.13Å; V266-D274 HydrophobicContact CG2-CB 4.22Å; D274-H380 IonicContact OD1-CD2 3.62Å; D274-H380 PolarHBondContact OD1-CD2 3.02Å; D274-H380 IonicContact OD1-NE2 3.09Å; D274-H380 PolarHBondContact OD1-NE2 3.07Å; D274-H380 IonicContact OD2-CD2 3.4Å; D274-H380 IonicContact OD2-CE1 2.72Å; D274-H380 IonicContact OD2-NE2 2.67Å; D274-H380 PolarHBondContact OD2-NE2 3.24Å
275	I	96.8	Very high	88.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.6	173.1	-54.8	-59.8	0	0	0	109.1	F261 S262 L263 I273 L347 W356 F360 I377 I378 V379 H380 L385	F261-I275 HydrophobicContact CB-CG2 4.13Å; F261-I275 HydrophobicContact CD2-CD1 4.4Å; F261-I275 HydrophobicContact CD2-CG2 4.42Å; S262-I275 WeakPolarHBondContact O-CA 3.18Å; L263-I275 HydrophobicContact CB-CD1 4.15Å; L263-I275 HydrophobicContact CD1-CD1 3.86Å; L263-I275 HydrophobicContact CG-CD1 3.94Å; I273-I275 HydrophobicContact CG2-CD1 4Å; I273-I275 HydrophobicContact CG2-CG1 4.38Å; I275-L347 HydrophobicContact CG1-CD2 4.39Å; I275-W356 HydrophobicContact CD1-CZ3 3.93Å; I275-W356 HydrophobicContact CG1-CZ3 4.38Å; I275-W356 HydrophobicContact CG2-CH2 4.09Å; I275-F360 HydrophobicContact CD1-CE1 4.37Å; I275-F360 HydrophobicContact CD1-CZ 4.45Å; I275-I377 HydrophobicContact CG1-CG2 4.28Å; I275-I378 PolarHBondContact N-O 3.3Å; I275-V379 HydrophobicContact CB-CG2 4.34Å; I275-V379 WeakPolarHBondContact O-CA 3.33Å; I275-H380 PolarHBondContact O-N 2.8Å; I275-L385 HydrophobicContact CG2-CD2 4Å
276	S	95.4	Very high	87.9	Confident	33 Å²	33	40.2 Å²	40.2	23%	0.231	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	177.2	176.1	50.4	0	0	0	0	111	F261 S262	F261-S276 CarbonylContact C-O 3.55Å; F261-S276 VanDerWaalsContact CA-O 3.23Å; F261-S276 WeakPolarHBondContact CA-O 3.36Å; F261-S276 WeakPolarHBondContact CB-O 3.41Å; S262-S276 PolarHBondContact N-O 3.04Å; S262-S276 PolarHBondContact O-N 3.33Å
277	L	95.1	Very high	87	Confident	30 Å²	30	41.2 Å²	41.2	16%	0.157	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	147.4	177.7	-67.6	168.9	0	0	0	111.6	S262 I333 D381 L385 V388	S262-L277 PolarHBondContact OG-O 3.37Å; L277-I333 HydrophobicContact CD1-CB 4.44Å; L277-I333 HydrophobicContact CD1-CG1 4.16Å; L277-I333 HydrophobicContact CD1-CG2 3.68Å; L277-D381 HydrophobicContact CD1-CB 4.35Å; L277-L385 HydrophobicContact CD2-CB 4.31Å; L277-V388 HydrophobicContact CD2-CG2 4.34Å
278	G	94	Very high	86.2	Confident	14 Å²	14	43 Å²	43	14%	0.144	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68	162.6	179.2	0	0	0	0	0	114	T258 L260 F261	T258-G278 CarbonylContact O-C 3.52Å; T258-G278 VanDerWaalsContact O-C 3.31Å; T258-G278 WeakPolarHBondContact O-CA 3.42Å; L260-G278 PolarHBondContact O-N 3Å; F261-G278 VanDerWaalsContact C-CA 3.49Å
279	S	93.5	Very high	85.6	Confident	35 Å²	35	37.7 Å²	37.7	25%	0.245	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-83.1	135.2	175.2	179.9	0	0	0	0	111.8	S257 T258 E281	S257-S279 VanDerWaalsContact OG-CB 3.26Å; S257-S279 WeakPolarHBondContact OG-CB 3.46Å; S257-S279 PolarHBondContact OG-N 2.86Å; T258-S279 PolarHBondContact O-N 2.87Å; S279-E281 WeakPolarHBondContact OG-CG 3.32Å; S279-E281 PolarHBondContact OG-N 3.38Å
280	L	92.5	Very high	84.4	Confident	14 Å²	14	41.2 Å²	41.2	7%	0.073	25%	0.246	C	C	.	.			trans	-113	11.2	173.2	-59.2	179.5	0	0	0	112.6	A282 F283 D284 I329 K330 I333 M408	L280-A282 PolarHBondContact O-N 3.37Å; L280-A282 VanDerWaalsContact O-N 3.12Å; L280-F283 PolarHBondContact O-N 3.09Å; L280-D284 PolarHBondContact O-N 2.81Å; L280-I329 HydrophobicContact CD1-CG2 4.03Å; L280-I329 HydrophobicContact CD2-CG2 4.1Å; L280-K330 HydrophobicContact CD1-CB 4.11Å; L280-I333 HydrophobicContact CD1-CD1 3.94Å; L280-M408 HydrophobicContact CD2-CE 3.9Å
281	E	89.8	Confident	82.9	Confident	114 Å²	114	38.2 Å²	38.2	53%	0.533	23%	0.234	S	C	.	.	H	α-helix	trans	-54	-37.2	-173.2	-74.2	176	-160.8	0	0	113.6	S279 F283 D284 A285 F415	S279-E281 WeakPolarHBondContact OG-CG 3.32Å; S279-E281 PolarHBondContact OG-N 3.38Å; E281-F283 PolarHBondContact O-N 3.11Å; E281-F283 VanDerWaalsContact O-N 3.16Å; E281-D284 PolarHBondContact O-N 2.93Å; E281-A285 WeakPolarHBondContact O-CB 3.25Å; E281-A285 PolarHBondContact O-N 3.45Å; E281-F415 HydrophobicContact CB-CE1 3.66Å; E281-F415 HydrophobicContact CB-CZ 4.05Å
282	A	89.7	Confident	81.5	Confident	2 Å²	2	44.4 Å²	44.4	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-58.8	-29.4	179.6	0	0	0	0	0	113.3	L280 V286 F415 Y429	L280-A282 PolarHBondContact O-N 3.37Å; L280-A282 VanDerWaalsContact O-N 3.12Å; A282-V286 WeakPolarHBondContact O-CG2 3.08Å; A282-F415 HydrophobicContact CB-CB 3.49Å; A282-F415 VanDerWaalsContact CB-CB 3.49Å; A282-F415 HydrophobicContact CB-CD1 3.82Å; A282-F415 HydrophobicContact CB-CD2 4.13Å; A282-F415 HydrophobicContact CB-CG 3.54Å; A282-Y429 WeakPolarHBondContact O-CE1 3.5Å; A282-Y429 PolarHBondContact O-OH 3.46Å
283	F	91.9	Very high	79.7	Confident	5 Å²	5	47.4 Å²	47.4	2%	0.022	30%	0.297	C	S	.	.	H	α-helix	trans	-98.9	-35.5	-179.8	-55.6	-77.2	0	0	0	111.3	T259 L280 E281 A285 V286 L302 V322 L323 H326 M408 I411	T259-F283 HydrophobicContact CG2-CE2 4.36Å; L280-F283 PolarHBondContact O-N 3.09Å; E281-F283 PolarHBondContact O-N 3.11Å; E281-F283 VanDerWaalsContact O-N 3.16Å; F283-A285 VanDerWaalsContact C-N 3.29Å; F283-A285 PolarHBondContact O-N 3.13Å; F283-V286 PolarHBondContact O-N 3.09Å; F283-L302 HydrophobicContact CD1-CD2 4.13Å; F283-L302 HydrophobicContact CE1-CD2 4.14Å; F283-V322 HydrophobicContact CD1-CG1 4.42Å; F283-V322 HydrophobicContact CE1-CG1 3.53Å; F283-V322 HydrophobicContact CZ-CG1 3.94Å; F283-L323 HydrophobicContact CD1-CD2 3.97Å; F283-H326 HydrophobicContact CB-CB 4.34Å; F283-H326 WeakPolarHBondContact CB-ND1 3.35Å; F283-H326 AromaticContact CD2-ND1 4Å; F283-H326 HydrophobicContact CG-CB 4.21Å; F283-H326 AromaticContact CG-CG 3.95Å; F283-H326 AromaticContact CG-ND1 3.92Å; F283-M408 HydrophobicContact CD2-CE 3.95Å; F283-M408 HydrophobicContact CE1-CG 4.37Å; F283-M408 HydrophobicContact CE2-CE 3.61Å; F283-M408 HydrophobicContact CE2-CG 3.55Å; F283-M408 HydrophobicContact CE2-SD 4.47Å; F283-M408 HydrophobicContact CZ-CB 4.25Å; F283-M408 HydrophobicContact CZ-CE 4.27Å; F283-M408 HydrophobicContact CZ-CG 3.38Å; F283-I411 HydrophobicContact CE1-CB 4.36Å; F283-I411 HydrophobicContact CE1-CD1 4.28Å; F283-I411 HydrophobicContact CE1-CG2 3.82Å; F283-I411 HydrophobicContact CZ-CB 4.13Å; F283-I411 HydrophobicContact CZ-CG2 3.88Å
284	D	87.3	Confident	77.9	Confident	75 Å²	75	55 Å²	55	40%	0.401	33%	0.33	S	S	.	.	H	α-helix	trans	-66	-31.1	174.9	-71.6	-38.7	0	0	0	112.6	L280 E281 V286 H326 K330	L280-D284 PolarHBondContact O-N 2.81Å; E281-D284 PolarHBondContact O-N 2.93Å; D284-V286 PolarHBondContact O-N 3.24Å; D284-H326 IonicContact OD1-CE1 2.9Å; D284-H326 IonicContact OD1-NE2 3.4Å; D284-K330 IonicContact OD1-NZ 2.76Å; D284-K330 PolarHBondContact OD1-NZ 2.89Å
285	A	83.6	Confident	76.2	Confident	40 Å²	40	61.5 Å²	61.5	33%	0.331	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.4	176.1	0	0	0	0	0	113.5	E281 F283 A287 F415 Y429	E281-A285 WeakPolarHBondContact O-CB 3.25Å; E281-A285 PolarHBondContact O-N 3.45Å; F283-A285 VanDerWaalsContact C-N 3.29Å; F283-A285 PolarHBondContact O-N 3.13Å; A285-A287 PolarHBondContact O-N 2.99Å; A285-F415 HydrophobicContact CB-CE2 3.69Å; A285-F415 HydrophobicContact CB-CZ 4.04Å; A285-Y429 HydrophobicContact CB-CD1 4.26Å; A285-Y429 HydrophobicContact CB-CE1 4.19Å
286	V	82.7	Confident	74.6	Confident	9 Å²	9	63.6 Å²	63.6	6%	0.055	37%	0.368	C	S	.	.			trans	-90.4	90.2	179.9	-168.6	0	0	0	0	109	A282 F283 D284 A298 Q301 L302 Y429	A282-V286 WeakPolarHBondContact O-CG2 3.08Å; F283-V286 PolarHBondContact O-N 3.09Å; D284-V286 PolarHBondContact O-N 3.24Å; V286-A298 HydrophobicContact CB-CB 4.32Å; V286-A298 HydrophobicContact CG1-CB 3.78Å; V286-A298 VanDerWaalsContact CG1-O 3.25Å; V286-A298 WeakPolarHBondContact CG1-O 3.48Å; V286-Q301 HydrophobicContact CG1-CB 3.85Å; V286-Q301 HydrophobicContact CG1-CG 4.17Å; V286-Q301 VanDerWaalsContact CG1-OE1 3.23Å; V286-L302 HydrophobicContact CG1-CB 4.29Å; V286-L302 HydrophobicContact CG2-CB 4.44Å; V286-Y429 HydrophobicContact CG2-CE1 3.81Å
287	A	65.9	Low	73.8	Confident	58 Å²	58	65.3 Å²	65.3	48%	0.479	38%	0.375	S	S	.	.			trans	-90.6	142.1	177.6	0	0	0	0	0	111.3	A285 S289 Q301	A285-A287 PolarHBondContact O-N 2.99Å; A287-S289 PolarHBondContact O-N 3.1Å; A287-Q301 PolarHBondContact O-OE1 2.89Å
288	P	63.2	Low	73.2	Confident	79 Å²	79	65 Å²	65	51%	0.513	38%	0.377	S	S	.	.			trans	-53.3	115.8	169.1	-20.5	30.4	0	0	0	110.1	K295 I296	P288-K295 HydrophobicContact CB-CG 4.14Å; P288-I296 WeakPolarHBondContact CA-O 3.15Å
289	S	57.4	Low	72.7	Confident	38 Å²	38	65 Å²	65	27%	0.266	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	157.2	-177.4	55.3	0	0	0	0	110.9	A287 I296 Q301	A287-S289 PolarHBondContact O-N 3.1Å; S289-I296 PolarHBondContact N-O 3.18Å; S289-I296 PolarHBondContact O-N 3.11Å; S289-Q301 PolarHBondContact OG-NE2 2.81Å
290	M	45.4	Very low	72.2	Confident	138 Å²	138	67.9 Å²	67.9	68%	0.68	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.1	176	-66.2	-66.2	-74.7	0	0	108.7	K295	M290-K295 HydrophobicContact SD-CB 4.22Å
291	S	50.5	Low	71.8	Confident	59 Å²	59	68.4 Å²	68.4	41%	0.413	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130	169.4	-177.9	0	0	0	0	108.1	G293 K294 I296	S291-G293 PolarHBondContact O-N 2.7Å; S291-G293 VanDerWaalsContact O-N 3.13Å; S291-K294 PolarHBondContact N-O 2.87Å; S291-K294 PolarHBondContact O-N 2.8Å; S291-I296 VanDerWaalsContact CB-CD1 3.42Å
292	D	56.2	Low	71.7	Confident	162 Å²	162	63 Å²	63	87%	0.866	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	38.1	-176.2	-62.5	-23.3	0	0	0	114.3	K294	D292-K294 PolarHBondContact O-N 2.92Å; D292-K294 VanDerWaalsContact O-N 3.15Å
293	G	53.6	Low	71.6	Confident	67 Å²	67	64.2 Å²	64.2	69%	0.691	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	4.4	-179.1	0	0	0	0	0	115.2	S291	S291-G293 PolarHBondContact O-N 2.7Å; S291-G293 VanDerWaalsContact O-N 3.13Å
294	K	55.5	Low	71.2	Confident	163 Å²	163	66.2 Å²	66.2	71%	0.709	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.3	174.1	-71.2	179.4	-178.4	171.8	0	110.5	S291 D292 I296	S291-K294 PolarHBondContact N-O 2.87Å; S291-K294 PolarHBondContact O-N 2.8Å; D292-K294 PolarHBondContact O-N 2.92Å; D292-K294 VanDerWaalsContact O-N 3.15Å; K294-I296 PolarHBondContact O-N 2.88Å; K294-I296 VanDerWaalsContact O-N 3.14Å
295	K	59.6	Low	71.2	Confident	156 Å²	156	63.5 Å²	63.5	68%	0.678	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	103.4	171.7	-170.6	175.9	-175.2	176	0	108.4	P288 M290 N297	P288-K295 HydrophobicContact CB-CG 4.14Å; M290-K295 HydrophobicContact SD-CB 4.22Å; K295-N297 PolarHBondContact O-N 2.57Å
296	I	63	Low	71.4	Confident	44 Å²	44	61.7 Å²	61.7	23%	0.226	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.4	170.4	-63.4	-176.8	0	0	0	106.8	P288 S289 S291 K294 E300 Q301	P288-I296 WeakPolarHBondContact CA-O 3.15Å; S289-I296 PolarHBondContact N-O 3.18Å; S289-I296 PolarHBondContact O-N 3.11Å; S291-I296 VanDerWaalsContact CB-CD1 3.42Å; K294-I296 PolarHBondContact O-N 2.88Å; K294-I296 VanDerWaalsContact O-N 3.14Å; I296-E300 HydrophobicContact CG2-CB 3.58Å; I296-Q301 HydrophobicContact CG2-CB 4.07Å
297	N	79	Confident	71.5	Confident	69 Å²	69	67.4 Å²	67.4	37%	0.369	38%	0.377	S	S	.	.			trans	-78.5	161.5	176.6	67	54.1	0	0	0	111	K295 A299 E300 Q301	K295-N297 PolarHBondContact O-N 2.57Å; N297-A299 PolarHBondContact O-N 2.73Å; N297-A299 VanDerWaalsContact O-N 3.16Å; N297-A299 WeakPolarHBondContact OD1-CB 3.24Å; N297-A299 PolarHBondContact OD1-N 3.3Å; N297-A299 VanDerWaalsContact OD1-N 3.11Å; N297-E300 PolarHBondContact N-OE2 2.65Å; N297-E300 PolarHBondContact ND2-OE2 3.17Å; N297-E300 PolarHBondContact O-N 2.94Å; N297-E300 WeakPolarHBondContact OD1-CG 3.42Å; N297-E300 PolarHBondContact OD1-N 2.98Å; N297-Q301 PolarHBondContact O-N 2.9Å; N297-Q301 VanDerWaalsContact O-N 3.08Å
298	A	82.1	Confident	72.3	Confident	25 Å²	25	67.7 Å²	67.7	21%	0.207	37%	0.368	C	S	.	.	H	α-helix	trans	-56.5	-34.9	-177.5	0	0	0	0	0	113.4	V286 E300 Q301 L302 L323	V286-A298 HydrophobicContact CB-CB 4.32Å; V286-A298 HydrophobicContact CG1-CB 3.78Å; V286-A298 VanDerWaalsContact CG1-O 3.25Å; V286-A298 WeakPolarHBondContact CG1-O 3.48Å; A298-E300 PolarHBondContact O-N 3.49Å; A298-Q301 PolarHBondContact O-N 2.78Å; A298-L302 VanDerWaalsContact O-CB 3.31Å; A298-L302 WeakPolarHBondContact O-CB 3.35Å; A298-L302 PolarHBondContact O-N 3.44Å; A298-L323 HydrophobicContact CB-CD1 4.34Å
299	A	83.7	Confident	73.2	Confident	14 Å²	14	64 Å²	64	12%	0.116	34%	0.343	C	S	.	.	H	α-helix	trans	-65.4	-39.4	177.7	0	0	0	0	0	112.4	N297 F303 I319 K320 L323	N297-A299 PolarHBondContact O-N 2.73Å; N297-A299 VanDerWaalsContact O-N 3.16Å; N297-A299 WeakPolarHBondContact OD1-CB 3.24Å; N297-A299 PolarHBondContact OD1-N 3.3Å; N297-A299 VanDerWaalsContact OD1-N 3.11Å; A299-F303 WeakPolarHBondContact O-CB 3.43Å; A299-F303 PolarHBondContact O-N 3.28Å; A299-I319 HydrophobicContact CB-CG2 4.37Å; A299-K320 HydrophobicContact CB-CG 4.09Å; A299-L323 HydrophobicContact CB-CD1 3.54Å
300	E	84.1	Confident	74.1	Confident	95 Å²	95	62.5 Å²	62.5	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-69	-40.5	177.3	-74.2	170.2	169.5	0	0	111.8	I296 N297 A298 F303 A304	I296-E300 HydrophobicContact CG2-CB 3.58Å; N297-E300 PolarHBondContact N-OE2 2.65Å; N297-E300 PolarHBondContact ND2-OE2 3.17Å; N297-E300 PolarHBondContact O-N 2.94Å; N297-E300 WeakPolarHBondContact OD1-CG 3.42Å; N297-E300 PolarHBondContact OD1-N 2.98Å; A298-E300 PolarHBondContact O-N 3.49Å; E300-F303 PolarHBondContact O-N 2.83Å; E300-A304 WeakPolarHBondContact O-CB 3.49Å; E300-A304 PolarHBondContact O-N 3.4Å
301	Q	84.6	Confident	75.3	Confident	25 Å²	25	59 Å²	59	12%	0.117	32%	0.322	C	S	.	.	H	α-helix	trans	-67.8	-47	177.6	-170.2	178.8	39.9	0	0	111.5	V286 A287 S289 I296 N297 A298 F303 A304 Y305	V286-Q301 HydrophobicContact CG1-CB 3.85Å; V286-Q301 HydrophobicContact CG1-CG 4.17Å; V286-Q301 VanDerWaalsContact CG1-OE1 3.23Å; A287-Q301 PolarHBondContact O-OE1 2.89Å; S289-Q301 PolarHBondContact OG-NE2 2.81Å; I296-Q301 HydrophobicContact CG2-CB 4.07Å; N297-Q301 PolarHBondContact O-N 2.9Å; N297-Q301 VanDerWaalsContact O-N 3.08Å; A298-Q301 PolarHBondContact O-N 2.78Å; Q301-F303 VanDerWaalsContact C-N 3.31Å; Q301-F303 PolarHBondContact O-N 2.82Å; Q301-A304 WeakPolarHBondContact O-CB 3.2Å; Q301-A304 PolarHBondContact O-N 2.8Å; Q301-Y305 HydrophobicContact CG-CD2 4.47Å; Q301-Y305 HydrophobicContact CG-CE1 4.05Å; Q301-Y305 HydrophobicContact CG-CE2 3.8Å; Q301-Y305 PolarHBondContact NE2-OH 3.08Å; Q301-Y305 PolarHBondContact O-N 2.87Å
302	L	86.9	Confident	76.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-41.3	174.9	-178.8	53.7	0	0	0	111.6	F283 V286 A298 A304 Y305 L306 I319 L323 I411 Y429	F283-L302 HydrophobicContact CD1-CD2 4.13Å; F283-L302 HydrophobicContact CE1-CD2 4.14Å; V286-L302 HydrophobicContact CG1-CB 4.29Å; V286-L302 HydrophobicContact CG2-CB 4.44Å; A298-L302 VanDerWaalsContact O-CB 3.31Å; A298-L302 WeakPolarHBondContact O-CB 3.35Å; A298-L302 PolarHBondContact O-N 3.44Å; L302-A304 VanDerWaalsContact C-N 3.32Å; L302-A304 PolarHBondContact O-N 3.28Å; L302-Y305 PolarHBondContact O-N 3.27Å; L302-L306 HydrophobicContact CD1-CD1 4.08Å; L302-L306 HydrophobicContact CD1-CG 4.16Å; L302-L306 HydrophobicContact CG-CD1 4.18Å; L302-L306 WeakPolarHBondContact O-CG 3.35Å; L302-L306 PolarHBondContact O-N 3.5Å; L302-I319 HydrophobicContact CB-CG2 4.17Å; L302-I319 HydrophobicContact CD2-CG2 3.87Å; L302-I319 HydrophobicContact CG-CG2 4.02Å; L302-L323 HydrophobicContact CD2-CD2 4.28Å; L302-L323 HydrophobicContact CD2-CG 4.39Å; L302-I411 HydrophobicContact CD1-CG2 3.98Å; L302-I411 HydrophobicContact CD2-CD1 4.26Å; L302-Y429 VanDerWaalsContact CD1-OH 3.24Å; L302-Y429 WeakPolarHBondContact CD1-OH 3.31Å
303	F	86.5	Confident	76.6	Confident	28 Å²	28	55.8 Å²	55.8	12%	0.123	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-40.3	173	-172.9	-95.3	0	0	0	111.8	A299 E300 Q301 K307 L312 K316 I319	A299-F303 WeakPolarHBondContact O-CB 3.43Å; A299-F303 PolarHBondContact O-N 3.28Å; E300-F303 PolarHBondContact O-N 2.83Å; Q301-F303 VanDerWaalsContact C-N 3.31Å; Q301-F303 PolarHBondContact O-N 2.82Å; F303-K307 HydrophobicContact CE1-CB 4.48Å; F303-K307 HydrophobicContact CE1-CD 4.02Å; F303-K307 WeakPolarHBondContact O-CB 3.38Å; F303-K307 PolarHBondContact O-N 3.05Å; F303-L312 HydrophobicContact CD2-CD1 4.23Å; F303-L312 HydrophobicContact CE2-CB 3.84Å; F303-L312 HydrophobicContact CE2-CD1 4.08Å; F303-L312 HydrophobicContact CZ-CB 4.11Å; F303-K316 HydrophobicContact CD1-CG 4.25Å; F303-K316 HydrophobicContact CD2-CB 4.43Å; F303-K316 HydrophobicContact CD2-CG 3.58Å; F303-K316 HydrophobicContact CE1-CD 4.42Å; F303-K316 VanDerWaalsContact CE1-CE 3.46Å; F303-K316 HydrophobicContact CE1-CG 4.08Å; F303-K316 HydrophobicContact CE2-CB 4.39Å; F303-K316 HydrophobicContact CE2-CG 3.41Å; F303-K316 VanDerWaalsContact CE2-CG 3.41Å; F303-K316 HydrophobicContact CG-CG 4.02Å; F303-K316 HydrophobicContact CZ-CD 4.39Å; F303-K316 HydrophobicContact CZ-CG 3.68Å; F303-I319 HydrophobicContact CB-CD1 3.75Å; F303-I319 HydrophobicContact CD2-CD1 3.55Å; F303-I319 HydrophobicContact CD2-CG1 4.44Å; F303-I319 HydrophobicContact CG-CD1 4.11Å
304	A	84.9	Confident	77.1	Confident	47 Å²	47	60.1 Å²	60.1	39%	0.388	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-41.3	178.2	0	0	0	0	0	111.9	E300 Q301 L302	E300-A304 WeakPolarHBondContact O-CB 3.49Å; E300-A304 PolarHBondContact O-N 3.4Å; Q301-A304 WeakPolarHBondContact O-CB 3.2Å; Q301-A304 PolarHBondContact O-N 2.8Å; L302-A304 VanDerWaalsContact C-N 3.32Å; L302-A304 PolarHBondContact O-N 3.28Å
305	Y	86.7	Confident	78	Confident	18 Å²	18	54.3 Å²	54.3	7%	0.071	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-55.6	174.5	-62.2	-24.6	0	0	0	111.5	Q301 L302 K307 K308 E427 F428 Y429	Q301-Y305 HydrophobicContact CG-CD2 4.47Å; Q301-Y305 HydrophobicContact CG-CE1 4.05Å; Q301-Y305 HydrophobicContact CG-CE2 3.8Å; Q301-Y305 PolarHBondContact NE2-OH 3.08Å; Q301-Y305 PolarHBondContact O-N 2.87Å; L302-Y305 PolarHBondContact O-N 3.27Å; Y305-K307 VanDerWaalsContact C-N 3.27Å; Y305-K307 PolarHBondContact O-N 3.1Å; Y305-K308 VanDerWaalsContact O-CB 3.31Å; Y305-K308 WeakPolarHBondContact O-CB 2.85Å; Y305-K308 PolarHBondContact O-N 2.95Å; Y305-K308 VanDerWaalsContact O-N 3.08Å; Y305-E427 VanDerWaalsContact CD1-O 3.25Å; Y305-E427 WeakPolarHBondContact CD1-O 3.35Å; Y305-E427 WeakPolarHBondContact CE1-O 3.22Å; Y305-F428 WeakPolarHBondContact CB-O 3.41Å; Y305-F428 WeakPolarHBondContact CD1-O 3.29Å; Y305-F428 WeakPolarHBondContact CD2-O 3.23Å; Y305-F428 WeakPolarHBondContact O-CD2 3.45Å; Y305-F428 WeakPolarHBondContact O-CE2 3.5Å; Y305-Y429 HydrophobicContact CD2-CD1 4.24Å; Y305-Y429 AromaticContact CD2-CD2 3.95Å; Y305-Y429 HydrophobicContact CD2-CD2 3.95Å; Y305-Y429 HydrophobicContact CD2-CE1 4.15Å; Y305-Y429 AromaticContact CD2-CE2 3.83Å; Y305-Y429 HydrophobicContact CD2-CE2 3.83Å; Y305-Y429 HydrophobicContact CD2-CG 4.16Å; Y305-Y429 AromaticContact CD2-CZ 3.96Å; Y305-Y429 AromaticContact CE2-CD1 3.96Å; Y305-Y429 HydrophobicContact CE2-CD1 3.96Å; Y305-Y429 HydrophobicContact CE2-CD2 4.4Å; Y305-Y429 HydrophobicContact CE2-CE1 4.09Å; Y305-Y429 HydrophobicContact CE2-CE2 4.5Å; Y305-Y429 HydrophobicContact CE2-CG 4.14Å
306	L	87.5	Confident	79	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-30.9	-176.7	-61.5	175	0	0	0	112.5	L221 L302 K308 L309 L312 I319 I411 L414 F428	L221-L306 HydrophobicContact CD1-CD1 3.99Å; L302-L306 HydrophobicContact CD1-CD1 4.08Å; L302-L306 HydrophobicContact CD1-CG 4.16Å; L302-L306 HydrophobicContact CG-CD1 4.18Å; L302-L306 WeakPolarHBondContact O-CG 3.35Å; L302-L306 PolarHBondContact O-N 3.5Å; L306-K308 PolarHBondContact O-N 3.36Å; L306-L309 WeakPolarHBondContact O-CB 3.02Å; L306-L309 PolarHBondContact O-N 3.05Å; L306-L312 VanDerWaalsContact C-CD1 3.43Å; L306-L312 HydrophobicContact CB-CD1 3.48Å; L306-L312 VanDerWaalsContact CB-CD1 3.48Å; L306-I319 HydrophobicContact CD1-CD1 3.8Å; L306-I411 HydrophobicContact CD1-CD1 3.75Å; L306-I411 HydrophobicContact CD1-CG1 3.73Å; L306-I411 HydrophobicContact CD2-CG1 4.23Å; L306-L414 HydrophobicContact CD2-CD1 4.15Å; L306-F428 HydrophobicContact CD2-CZ 4.18Å
307	K	85.7	Confident	80	Confident	129 Å²	129	55.6 Å²	55.6	56%	0.561	28%	0.284	S	S	*	.	H	α-helix	trans	-64.3	-20.6	177.7	-171.3	-173.3	177	-164.1	0	112.5	F303 Y305 L309 G310 L312	F303-K307 HydrophobicContact CE1-CB 4.48Å; F303-K307 HydrophobicContact CE1-CD 4.02Å; F303-K307 WeakPolarHBondContact O-CB 3.38Å; F303-K307 PolarHBondContact O-N 3.05Å; Y305-K307 VanDerWaalsContact C-N 3.27Å; Y305-K307 PolarHBondContact O-N 3.1Å; K307-L309 PolarHBondContact O-N 3.12Å; K307-G310 PolarHBondContact O-N 3.3Å; K307-G310 VanDerWaalsContact O-O 3.11Å; K307-L312 HydrophobicContact CB-CD1 4.2Å
308	K	83.1	Confident	80.3	Confident	65 Å²	65	53.1 Å²	53.1	28%	0.283	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.6	173.7	-63	178.2	-177.2	178.7	0	111.8	Y305 L306 G310 Y425 S426 E427	Y305-K308 VanDerWaalsContact O-CB 3.31Å; Y305-K308 WeakPolarHBondContact O-CB 2.85Å; Y305-K308 PolarHBondContact O-N 2.95Å; Y305-K308 VanDerWaalsContact O-N 3.08Å; L306-K308 PolarHBondContact O-N 3.36Å; K308-G310 PolarHBondContact O-N 3.35Å; K308-Y425 HydrophobicContact CB-CD1 3.74Å; K308-Y425 HydrophobicContact CB-CE1 4.41Å; K308-Y425 HydrophobicContact CB-CG 4.1Å; K308-Y425 WeakPolarHBondContact O-CE1 3.43Å; K308-S426 PolarHBondContact NZ-O 2.89Å; K308-E427 VanDerWaalsContact NZ-C 3.31Å; K308-E427 PolarHBondContact NZ-O 3.03Å
309	L	81.5	Confident	80.6	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	14.6	177.5	-55.6	175.9	0	0	0	113.5	E205 V208 W219 L306 K307 L414 L421 Y425 F428	E205-L309 WeakPolarHBondContact CG-O 3.27Å; V208-L309 HydrophobicContact CG1-CD1 4.26Å; V208-L309 HydrophobicContact CG1-CD2 4.33Å; W219-L309 HydrophobicContact CH2-CB 3.85Å; W219-L309 HydrophobicContact CH2-CD1 3.81Å; W219-L309 HydrophobicContact CH2-CG 4.5Å; W219-L309 HydrophobicContact CZ2-CD1 4.29Å; L306-L309 WeakPolarHBondContact O-CB 3.02Å; L306-L309 PolarHBondContact O-N 3.05Å; K307-L309 PolarHBondContact O-N 3.12Å; L309-L414 HydrophobicContact CD1-CD1 3.68Å; L309-L414 HydrophobicContact CD1-CD2 3.99Å; L309-L414 HydrophobicContact CD1-CG 4.4Å; L309-L421 HydrophobicContact CD2-CD2 4.13Å; L309-Y425 HydrophobicContact CD2-CD2 3.74Å; L309-Y425 HydrophobicContact CD2-CE2 3.34Å; L309-F428 HydrophobicContact CD1-CE2 3.45Å; L309-F428 VanDerWaalsContact CD1-CE2 3.45Å; L309-F428 HydrophobicContact CD1-CZ 3.51Å; L309-F428 HydrophobicContact CD2-CD2 4.49Å; L309-F428 HydrophobicContact CD2-CE2 4.11Å; L309-F428 HydrophobicContact CG-CD2 4.31Å; L309-F428 HydrophobicContact CG-CE2 3.56Å; L309-F428 HydrophobicContact CG-CZ 4.14Å
310	G	76.6	Confident	80.9	Confident	7 Å²	7	57.1 Å²	57.1	7%	0.072	28%	0.281	C	S	.	.	S	Bend	trans	126	-178.8	174.3	0	0	0	0	0	116	E205 K307 K308 L312	E205-G310 WeakPolarHBondContact OE1-CA 3.21Å; K307-G310 PolarHBondContact O-N 3.3Å; K307-G310 VanDerWaalsContact O-O 3.11Å; K308-G310 PolarHBondContact O-N 3.35Å; G310-L312 PolarHBondContact O-N 2.71Å
311	P	69.1	Low	81.3	Confident	64 Å²	64	55.5 Å²	55.5	42%	0.416	28%	0.275	S	S	.	.			trans	-73.4	103.2	-173.7	27.9	-32.4	0	0	0	112	E205 K313	E205-P311 WeakPolarHBondContact OE1-CD 3.36Å; P311-K313 VanDerWaalsContact C-N 3.28Å; P311-K313 PolarHBondContact O-N 3.35Å
312	L	73.8	Confident	81.7	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.021	27%	0.269	C	S	.	.			trans	-87.5	32.1	172.4	-56.9	177.8	0	0	0	113.9	L221 T222 F303 L306 K307 G310 D314 K315	L221-L312 HydrophobicContact CB-CD2 4.04Å; L221-L312 WeakPolarHBondContact O-CD2 3.05Å; T222-L312 HydrophobicContact CG2-CD2 3.89Å; F303-L312 HydrophobicContact CD2-CD1 4.23Å; F303-L312 HydrophobicContact CE2-CB 3.84Å; F303-L312 HydrophobicContact CE2-CD1 4.08Å; F303-L312 HydrophobicContact CZ-CB 4.11Å; L306-L312 VanDerWaalsContact C-CD1 3.43Å; L306-L312 HydrophobicContact CB-CD1 3.48Å; L306-L312 VanDerWaalsContact CB-CD1 3.48Å; K307-L312 HydrophobicContact CB-CD1 4.2Å; G310-L312 PolarHBondContact O-N 2.71Å; L312-D314 PolarHBondContact O-N 2.98Å; L312-K315 PolarHBondContact O-N 3.48Å; L312-K315 VanDerWaalsContact O-N 3.17Å
313	K	61.5	Low	81.9	Confident	151 Å²	151	55.7 Å²	55.7	66%	0.657	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	126.3	-169.2	-76.4	-172.5	178.9	-179.9	0	111.1	P311 K315	P311-K313 VanDerWaalsContact C-N 3.28Å; P311-K313 PolarHBondContact O-N 3.35Å; K313-K315 PolarHBondContact O-N 2.85Å
314	D	63	Low	82.2	Confident	157 Å²	157	59.9 Å²	59.9	84%	0.84	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	18.3	177.1	-51	-35.1	0	0	0	117.5	L312	L312-D314 PolarHBondContact O-N 2.98Å
315	K	74.9	Confident	82.6	Confident	41 Å²	41	58.1 Å²	58.1	18%	0.178	28%	0.281	C	S	.	.			trans	-102.1	8.5	-179.4	-57.2	-72.4	176.8	163.9	0	114.9	L312 K313 N317 I318 I319	L312-K315 PolarHBondContact O-N 3.48Å; L312-K315 VanDerWaalsContact O-N 3.17Å; K313-K315 PolarHBondContact O-N 2.85Å; K315-N317 PolarHBondContact O-N 2.9Å; K315-I318 HydrophobicContact CB-CD1 3.96Å; K315-I318 HydrophobicContact CD-CD1 3.26Å; K315-I318 HydrophobicContact CG-CD1 4.16Å; K315-I318 WeakPolarHBondContact O-CB 3.19Å; K315-I318 PolarHBondContact O-N 3.47Å; K315-I318 VanDerWaalsContact O-N 3.07Å; K315-I319 PolarHBondContact O-N 3.33Å
316	K	80.1	Confident	83	Confident	119 Å²	119	58.1 Å²	58.1	52%	0.517	28%	0.281	S	S	.	.	H	α-helix	trans	-55.4	-35.2	178.2	-75	-173.4	177.6	-173.4	0	113.6	F303 I318 I319 K320	F303-K316 HydrophobicContact CD1-CG 4.25Å; F303-K316 HydrophobicContact CD2-CB 4.43Å; F303-K316 HydrophobicContact CD2-CG 3.58Å; F303-K316 HydrophobicContact CE1-CD 4.42Å; F303-K316 VanDerWaalsContact CE1-CE 3.46Å; F303-K316 HydrophobicContact CE1-CG 4.08Å; F303-K316 HydrophobicContact CE2-CB 4.39Å; F303-K316 HydrophobicContact CE2-CG 3.41Å; F303-K316 VanDerWaalsContact CE2-CG 3.41Å; F303-K316 HydrophobicContact CG-CG 4.02Å; F303-K316 HydrophobicContact CZ-CD 4.39Å; F303-K316 HydrophobicContact CZ-CG 3.68Å; K316-I318 VanDerWaalsContact C-N 3.32Å; K316-I318 PolarHBondContact O-N 2.93Å; K316-I319 PolarHBondContact O-N 3.43Å; K316-K320 PolarHBondContact O-N 2.89Å
317	N	84.6	Confident	83.2	Confident	108 Å²	108	61.5 Å²	61.5	58%	0.578	31%	0.305	S	S	*	.	H	α-helix	trans	-64.9	-38	179.4	-67.3	-15	0	0	0	111.6	K315 I319 K320 D321	K315-N317 PolarHBondContact O-N 2.9Å; N317-I319 VanDerWaalsContact C-N 3.32Å; N317-I319 PolarHBondContact O-N 3.32Å; N317-K320 WeakPolarHBondContact O-CB 3.49Å; N317-K320 PolarHBondContact O-N 2.91Å; N317-K320 VanDerWaalsContact O-N 3.14Å; N317-D321 PolarHBondContact O-N 3.48Å
318	I	85.8	Confident	83.6	Confident	17 Å²	17	59.6 Å²	59.6	9%	0.087	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-39.9	177.7	-64.8	150.3	0	0	0	110.7	Y220 L221 K315 K316 K320 D321 V322 A407	Y220-I318 HydrophobicContact CD1-CD1 3.98Å; Y220-I318 HydrophobicContact CE1-CD1 3.31Å; Y220-I318 HydrophobicContact CE1-CG1 4.01Å; L221-I318 HydrophobicContact CD2-CB 4.34Å; L221-I318 HydrophobicContact CD2-CG2 3.75Å; K315-I318 HydrophobicContact CB-CD1 3.96Å; K315-I318 HydrophobicContact CD-CD1 3.26Å; K315-I318 HydrophobicContact CG-CD1 4.16Å; K315-I318 WeakPolarHBondContact O-CB 3.19Å; K315-I318 PolarHBondContact O-N 3.47Å; K315-I318 VanDerWaalsContact O-N 3.07Å; K316-I318 VanDerWaalsContact C-N 3.32Å; K316-I318 PolarHBondContact O-N 2.93Å; I318-K320 VanDerWaalsContact C-N 3.3Å; I318-K320 PolarHBondContact O-N 3.42Å; I318-D321 PolarHBondContact O-N 3.48Å; I318-V322 HydrophobicContact CG2-CG2 4.22Å; I318-V322 WeakPolarHBondContact O-CB 3.29Å; I318-V322 VanDerWaalsContact O-CG2 3.24Å; I318-V322 WeakPolarHBondContact O-CG2 3.23Å; I318-V322 PolarHBondContact O-N 3.14Å; I318-A407 HydrophobicContact CG2-CB 4Å
319	I	88.6	Confident	84.1	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-39.5	176.8	-60.9	-165	0	0	0	111.3	A299 L302 F303 L306 K315 K316 N317 V322 L323	A299-I319 HydrophobicContact CB-CG2 4.37Å; L302-I319 HydrophobicContact CB-CG2 4.17Å; L302-I319 HydrophobicContact CD2-CG2 3.87Å; L302-I319 HydrophobicContact CG-CG2 4.02Å; F303-I319 HydrophobicContact CB-CD1 3.75Å; F303-I319 HydrophobicContact CD2-CD1 3.55Å; F303-I319 HydrophobicContact CD2-CG1 4.44Å; F303-I319 HydrophobicContact CG-CD1 4.11Å; L306-I319 HydrophobicContact CD1-CD1 3.8Å; K315-I319 PolarHBondContact O-N 3.33Å; K316-I319 PolarHBondContact O-N 3.43Å; N317-I319 VanDerWaalsContact C-N 3.32Å; N317-I319 PolarHBondContact O-N 3.32Å; I319-V322 PolarHBondContact O-N 3.35Å; I319-L323 HydrophobicContact CG2-CD1 4.23Å; I319-L323 WeakPolarHBondContact O-CG 3.5Å; I319-L323 PolarHBondContact O-N 2.83Å
320	K	89.7	Confident	84.7	Confident	120 Å²	120	61.8 Å²	61.8	52%	0.522	31%	0.308	S	S	.	.	H	α-helix	trans	-62.6	-44.2	174.1	-68.1	179.4	177.5	-178.3	0	111.3	A299 K316 N317 I318 V322 L323 Q324	A299-K320 HydrophobicContact CB-CG 4.09Å; K316-K320 PolarHBondContact O-N 2.89Å; N317-K320 WeakPolarHBondContact O-CB 3.49Å; N317-K320 PolarHBondContact O-N 2.91Å; N317-K320 VanDerWaalsContact O-N 3.14Å; I318-K320 VanDerWaalsContact C-N 3.3Å; I318-K320 PolarHBondContact O-N 3.42Å; K320-V322 VanDerWaalsContact C-N 3.35Å; K320-V322 PolarHBondContact O-N 2.63Å; K320-L323 PolarHBondContact O-N 3.48Å; K320-Q324 PolarHBondContact O-N 3.1Å
321	D	91.7	Very high	85.4	Confident	61 Å²	61	65.7 Å²	65.7	33%	0.326	33%	0.334	S	S	.	.	H	α-helix	trans	-66.4	-37.3	179.6	-58.4	-17.2	0	0	0	111.7	N317 I318 Q324 L325 N404	N317-D321 PolarHBondContact O-N 3.48Å; I318-D321 PolarHBondContact O-N 3.48Å; D321-Q324 WeakPolarHBondContact O-CB 3.36Å; D321-Q324 PolarHBondContact O-N 3.11Å; D321-L325 WeakPolarHBondContact O-CB 3.31Å; D321-L325 PolarHBondContact O-N 3.15Å; D321-N404 VanDerWaalsContact CB-ND2 3.33Å; D321-N404 WeakPolarHBondContact CB-ND2 3.28Å
322	V	93.3	Very high	86.5	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.5	-42.6	173.5	169.7	0	0	0	0	111.2	F283 I318 I319 K320 Q324 L325 H326 N404 A407 M408 I411	F283-V322 HydrophobicContact CD1-CG1 4.42Å; F283-V322 HydrophobicContact CE1-CG1 3.53Å; F283-V322 HydrophobicContact CZ-CG1 3.94Å; I318-V322 HydrophobicContact CG2-CG2 4.22Å; I318-V322 WeakPolarHBondContact O-CB 3.29Å; I318-V322 VanDerWaalsContact O-CG2 3.24Å; I318-V322 WeakPolarHBondContact O-CG2 3.23Å; I318-V322 PolarHBondContact O-N 3.14Å; I319-V322 PolarHBondContact O-N 3.35Å; K320-V322 VanDerWaalsContact C-N 3.35Å; K320-V322 PolarHBondContact O-N 2.63Å; V322-Q324 VanDerWaalsContact C-N 3.32Å; V322-L325 WeakPolarHBondContact O-CB 3.41Å; V322-L325 PolarHBondContact O-N 2.91Å; V322-H326 WeakPolarHBondContact O-CB 3.27Å; V322-H326 PolarHBondContact O-N 3.27Å; V322-N404 HydrophobicContact CG2-CB 4.12Å; V322-A407 HydrophobicContact CG2-CB 3.78Å; V322-M408 HydrophobicContact CG1-CB 3.97Å; V322-M408 HydrophobicContact CG1-CG 4.05Å; V322-I411 HydrophobicContact CG1-CD1 4.33Å
323	L	92	Very high	87.2	Confident	29 Å²	29	65.3 Å²	65.3	15%	0.152	33%	0.33	C	S	.	.	H	α-helix	trans	-68.2	-32.9	175.9	-74.9	171.1	0	0	0	112.5	F283 A298 A299 L302 I319 K320 H326 S327	F283-L323 HydrophobicContact CD1-CD2 3.97Å; A298-L323 HydrophobicContact CB-CD1 4.34Å; A299-L323 HydrophobicContact CB-CD1 3.54Å; L302-L323 HydrophobicContact CD2-CD2 4.28Å; L302-L323 HydrophobicContact CD2-CG 4.39Å; I319-L323 HydrophobicContact CG2-CD1 4.23Å; I319-L323 WeakPolarHBondContact O-CG 3.5Å; I319-L323 PolarHBondContact O-N 2.83Å; K320-L323 PolarHBondContact O-N 3.48Å; L323-H326 PolarHBondContact O-N 3.25Å; L323-S327 WeakPolarHBondContact O-CB 3.18Å; L323-S327 PolarHBondContact O-N 3.35Å
324	Q	92.4	Very high	88.4	Confident	117 Å²	117	64 Å²	64	55%	0.547	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-44.7	171.1	-177.9	175.2	-4.6	0	0	111.1	K320 D321 V322 S327 Q328	K320-Q324 PolarHBondContact O-N 3.1Å; D321-Q324 WeakPolarHBondContact O-CB 3.36Å; D321-Q324 PolarHBondContact O-N 3.11Å; V322-Q324 VanDerWaalsContact C-N 3.32Å; Q324-S327 WeakPolarHBondContact O-CB 3.26Å; Q324-S327 PolarHBondContact O-N 2.95Å; Q324-Q328 WeakPolarHBondContact O-CG 3.14Å; Q324-Q328 PolarHBondContact O-N 2.81Å
325	L	93.7	Very high	89.1	Confident	10 Å²	10	61 Å²	61	5%	0.052	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-45.4	174.7	-178.7	61.5	0	0	0	111.5	D321 V322 S327 Q328 I329 I391 A395 N404 L405 M408	D321-L325 WeakPolarHBondContact O-CB 3.31Å; D321-L325 PolarHBondContact O-N 3.15Å; V322-L325 WeakPolarHBondContact O-CB 3.41Å; V322-L325 PolarHBondContact O-N 2.91Å; L325-S327 VanDerWaalsContact C-N 3.32Å; L325-S327 PolarHBondContact O-N 3.26Å; L325-Q328 WeakPolarHBondContact O-CB 3.36Å; L325-Q328 PolarHBondContact O-N 3.14Å; L325-I329 HydrophobicContact CD1-CD1 4.39Å; L325-I329 HydrophobicContact CG-CD1 4.09Å; L325-I329 WeakPolarHBondContact O-CG1 3.38Å; L325-I329 PolarHBondContact O-N 3.47Å; L325-I391 HydrophobicContact CD1-CG2 3.59Å; L325-A395 HydrophobicContact CD1-CB 4.38Å; L325-N404 HydrophobicContact CD2-CB 4.33Å; L325-L405 HydrophobicContact CD2-CD2 3.94Å; L325-L405 HydrophobicContact CD2-CG 4.37Å; L325-M408 HydrophobicContact CD2-SD 4.11Å; L325-M408 HydrophobicContact CG-SD 4.37Å
326	H	93.8	Very high	89.4	Confident	17 Å²	17	63.2 Å²	63.2	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-55.8	-45.8	172.7	163.2	73.1	0	0	0	111.8	F283 D284 V322 L323 Q328 I329 K330 M408	F283-H326 HydrophobicContact CB-CB 4.34Å; F283-H326 WeakPolarHBondContact CB-ND1 3.35Å; F283-H326 AromaticContact CD2-ND1 4Å; F283-H326 HydrophobicContact CG-CB 4.21Å; F283-H326 AromaticContact CG-CG 3.95Å; F283-H326 AromaticContact CG-ND1 3.92Å; D284-H326 IonicContact OD1-CE1 2.9Å; D284-H326 IonicContact OD1-NE2 3.4Å; V322-H326 WeakPolarHBondContact O-CB 3.27Å; V322-H326 PolarHBondContact O-N 3.27Å; L323-H326 PolarHBondContact O-N 3.25Å; H326-Q328 VanDerWaalsContact C-N 3.32Å; H326-Q328 PolarHBondContact O-N 3.33Å; H326-I329 PolarHBondContact O-N 2.85Å; H326-K330 WeakPolarHBondContact O-CB 3.37Å; H326-K330 PolarHBondContact O-N 2.71Å; H326-M408 HydrophobicContact CB-CE 4.1Å
327	S	92.3	Very high	89.4	Confident	73 Å²	73	60.3 Å²	60.3	51%	0.51	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-38.2	177.7	-174.8	0	0	0	0	112.5	L323 Q324 L325 S331	L323-S327 WeakPolarHBondContact O-CB 3.18Å; L323-S327 PolarHBondContact O-N 3.35Å; Q324-S327 WeakPolarHBondContact O-CB 3.26Å; Q324-S327 PolarHBondContact O-N 2.95Å; L325-S327 VanDerWaalsContact C-N 3.32Å; L325-S327 PolarHBondContact O-N 3.26Å; S327-S331 WeakPolarHBondContact O-CB 3.23Å; S327-S331 PolarHBondContact O-N 3.15Å; S327-S331 PolarHBondContact O-OG 2.95Å
328	Q	94.1	Very high	89.5	Confident	89 Å²	89	57.5 Å²	57.5	42%	0.416	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-48.5	175.2	-72.1	173.6	-19.7	0	0	110.7	Q324 L325 H326 K330 S331 A332 I391	Q324-Q328 WeakPolarHBondContact O-CG 3.14Å; Q324-Q328 PolarHBondContact O-N 2.81Å; L325-Q328 WeakPolarHBondContact O-CB 3.36Å; L325-Q328 PolarHBondContact O-N 3.14Å; H326-Q328 VanDerWaalsContact C-N 3.32Å; H326-Q328 PolarHBondContact O-N 3.33Å; Q328-K330 PolarHBondContact O-N 3.49Å; Q328-S331 PolarHBondContact O-N 3.26Å; Q328-S331 PolarHBondContact O-OG 3.12Å; Q328-A332 PolarHBondContact O-N 3.07Å; Q328-A332 VanDerWaalsContact O-N 3.1Å; Q328-I391 HydrophobicContact CB-CD1 4.3Å; Q328-I391 HydrophobicContact CB-CG2 4.31Å
329	I	94.7	Very high	89.7	Confident	1 Å²	1	61 Å²	61	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-58.7	-50.4	177.4	-66.2	163.8	0	0	0	110.2	L280 L325 H326 S331 A332 I333 V388 I391 M408	L280-I329 HydrophobicContact CD1-CG2 4.03Å; L280-I329 HydrophobicContact CD2-CG2 4.1Å; L325-I329 HydrophobicContact CD1-CD1 4.39Å; L325-I329 HydrophobicContact CG-CD1 4.09Å; L325-I329 WeakPolarHBondContact O-CG1 3.38Å; L325-I329 PolarHBondContact O-N 3.47Å; H326-I329 PolarHBondContact O-N 2.85Å; I329-S331 VanDerWaalsContact C-N 3.27Å; I329-S331 PolarHBondContact O-N 3.41Å; I329-A332 WeakPolarHBondContact O-CB 3.33Å; I329-A332 PolarHBondContact O-N 2.99Å; I329-I333 HydrophobicContact CG2-CD1 4.14Å; I329-I333 WeakPolarHBondContact O-CG1 3.41Å; I329-I333 PolarHBondContact O-N 3.14Å; I329-V388 HydrophobicContact CG2-CG1 3.89Å; I329-V388 HydrophobicContact CG2-CG2 4.05Å; I329-I391 HydrophobicContact CG1-CG2 3.93Å; I329-M408 HydrophobicContact CD1-CE 3.83Å; I329-M408 HydrophobicContact CD1-SD 4.02Å
330	K	92.6	Very high	89.9	Confident	109 Å²	109	62.3 Å²	62.3	47%	0.474	36%	0.36	S	S	.	.	H	α-helix	trans	-57.8	-38.6	179	-171.6	170.1	-174.7	164.7	0	112.6	L280 D284 H326 Q328 A332 I333	L280-K330 HydrophobicContact CD1-CB 4.11Å; D284-K330 IonicContact OD1-NZ 2.76Å; D284-K330 PolarHBondContact OD1-NZ 2.89Å; H326-K330 WeakPolarHBondContact O-CB 3.37Å; H326-K330 PolarHBondContact O-N 2.71Å; Q328-K330 PolarHBondContact O-N 3.49Å; K330-A332 VanDerWaalsContact C-N 3.33Å; K330-I333 PolarHBondContact O-N 3.25Å
331	S	91.7	Very high	90.1	Very high	89 Å²	89	63.3 Å²	63.3	62%	0.622	36%	0.364	S	S	*	.	H	α-helix	trans	-72.2	-24.5	177.8	71.4	0	0	0	0	114.1	S327 Q328 I329	S327-S331 WeakPolarHBondContact O-CB 3.23Å; S327-S331 PolarHBondContact O-N 3.15Å; S327-S331 PolarHBondContact O-OG 2.95Å; Q328-S331 PolarHBondContact O-N 3.26Å; Q328-S331 PolarHBondContact O-OG 3.12Å; I329-S331 VanDerWaalsContact C-N 3.27Å; I329-S331 PolarHBondContact O-N 3.41Å
332	A	91.3	Very high	90.2	Very high	13 Å²	13	61.3 Å²	61.3	11%	0.107	35%	0.354	C	S	.	.	H	α-helix	trans	-81.2	-22	178.2	0	0	0	0	0	113.1	Q328 I329 K330 Q334 K387 V388 I391	Q328-A332 PolarHBondContact O-N 3.07Å; Q328-A332 VanDerWaalsContact O-N 3.1Å; I329-A332 WeakPolarHBondContact O-CB 3.33Å; I329-A332 PolarHBondContact O-N 2.99Å; K330-A332 VanDerWaalsContact C-N 3.33Å; A332-Q334 PolarHBondContact O-N 2.69Å; A332-K387 HydrophobicContact CB-CB 4.05Å; A332-V388 HydrophobicContact CB-CG2 4.42Å; A332-I391 HydrophobicContact CB-CD1 3.53Å
333	I	89.7	Confident	90.2	Very high	48 Å²	48	65.1 Å²	65.1	25%	0.246	38%	0.377	C	S	.	.			trans	-72.9	108.9	178.7	-68	168.1	0	0	0	109.3	L277 L280 I329 K330 V388	L277-I333 HydrophobicContact CD1-CB 4.44Å; L277-I333 HydrophobicContact CD1-CG1 4.16Å; L277-I333 HydrophobicContact CD1-CG2 3.68Å; L280-I333 HydrophobicContact CD1-CD1 3.94Å; I329-I333 HydrophobicContact CG2-CD1 4.14Å; I329-I333 WeakPolarHBondContact O-CG1 3.41Å; I329-I333 PolarHBondContact O-N 3.14Å; K330-I333 PolarHBondContact O-N 3.25Å; I333-V388 HydrophobicContact CG1-CG2 3.86Å
334	Q	85.7	Confident	90.3	Very high	124 Å²	124	65.5 Å²	65.5	58%	0.579	38%	0.379	S	S	*	.			trans	-125.2	82	173.8	-69.7	179.7	-19.8	0	0	107.4	A332 S336 S384	A332-Q334 PolarHBondContact O-N 2.69Å; Q334-S336 PolarHBondContact O-N 3.15Å; Q334-S336 VanDerWaalsContact O-N 3.14Å; Q334-S384 PolarHBondContact N-OG 3.09Å; Q334-S384 PolarHBondContact O-OG 3.45Å
335	P	77.7	Confident	90.4	Very high	94 Å²	94	65.7 Å²	65.7	61%	0.61	38%	0.38	S	S	*	.			trans	-65.3	119.4	-176.1	25.7	-29.8	0	0	0	108.8
336	S	81.8	Confident	90.4	Very high	86 Å²	86	68.8 Å²	68.8	60%	0.601	39%	0.393	S	S	*	.			trans	-93.1	-17.5	175.7	61.6	0	0	0	0	111.8	Q334 S338 D381	Q334-S336 PolarHBondContact O-N 3.15Å; Q334-S336 VanDerWaalsContact O-N 3.14Å; S336-S338 PolarHBondContact O-N 3.37Å; S336-S338 VanDerWaalsContact OG-CB 3.28Å; S336-S338 WeakPolarHBondContact OG-CB 3.45Å; S336-S338 PolarHBondContact OG-N 3.14Å; S336-S338 VanDerWaalsContact OG-N 3.14Å; S336-S338 PolarHBondContact OG-OG 3.22Å; S336-D381 WeakPolarHBondContact CA-OD1 3.5Å; S336-D381 WeakPolarHBondContact CB-OD1 3.37Å; S336-D381 PolarHBondContact N-OD1 2.66Å; S336-D381 PolarHBondContact OG-OD1 3Å
337	G	81.2	Confident	90.5	Very high	58 Å²	58	68 Å²	68	60%	0.598	39%	0.389	S	S	*	.			trans	71.4	15.1	-167.7	0	0	0	0	0	112.8	D381	G337-D381 PolarHBondContact N-OD1 2.06Å
338	S	86	Confident	90.7	Very high	49 Å²	49	66.2 Å²	66.2	34%	0.343	38%	0.377	S	S	.	.			trans	-72.4	130.9	178.5	58.6	0	0	0	0	110.2	S336 H380 D381	S336-S338 PolarHBondContact O-N 3.37Å; S336-S338 VanDerWaalsContact OG-CB 3.28Å; S336-S338 WeakPolarHBondContact OG-CB 3.45Å; S336-S338 PolarHBondContact OG-N 3.14Å; S336-S338 VanDerWaalsContact OG-N 3.14Å; S336-S338 PolarHBondContact OG-OG 3.22Å; S338-H380 CarbonylContact O-C 3.55Å; S338-H380 VanDerWaalsContact O-CA 3.32Å; S338-H380 WeakPolarHBondContact O-CA 3.18Å; S338-D381 PolarHBondContact N-OD1 2.74Å; S338-D381 PolarHBondContact O-N 3.46Å
339	V	90.7	Very high	90.8	Very high	91 Å²	91	67.9 Å²	67.9	55%	0.552	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	134.3	178.2	-172.6	0	0	0	0	107.7	I378	V339-I378 HydrophobicContact CG1-CG2 3.37Å
340	S	92	Very high	90.9	Very high	30 Å²	30	67.9 Å²	67.9	21%	0.21	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	133.3	-171.1	51.5	0	0	0	0	111.6	I378 V379 Q382	S340-I378 WeakPolarHBondContact O-CA 3.14Å; S340-V379 PolarHBondContact N-O 3.45Å; S340-V379 PolarHBondContact O-N 2.86Å; S340-V379 PolarHBondContact OG-O 2.94Å; S340-Q382 VanDerWaalsContact CB-NE2 3.33Å; S340-Q382 VanDerWaalsContact OG-CD 3.26Å; S340-Q382 VanDerWaalsContact OG-CG 3.27Å; S340-Q382 WeakPolarHBondContact OG-CG 3.19Å; S340-Q382 PolarHBondContact OG-NE2 3.44Å
341	K	93.4	Very high	91.1	Very high	141 Å²	141	62.7 Å²	62.7	61%	0.613	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	132.7	172.6	-61.3	-171.9	-179.6	-164.5	0	109.5	E376 I377 I378	K341-E376 WeakPolarHBondContact CE-OE2 3.08Å; K341-E376 IonicContact NZ-OE1 2.75Å; K341-E376 PolarHBondContact NZ-OE1 2.89Å; K341-E376 IonicContact NZ-OE2 2.76Å; K341-E376 PolarHBondContact NZ-OE2 2.96Å; K341-I377 CarbonylContact C-O 3.49Å; K341-I377 WeakPolarHBondContact CA-O 3.4Å; K341-I378 HydrophobicContact CG-CG1 4.39Å
342	V	93.9	Very high	91.3	Very high	19 Å²	19	63 Å²	63	12%	0.115	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.4	-177.7	-58.4	0	0	0	0	111.7	K346 L347 I350 I377 V379	V342-K346 HydrophobicContact CB-CB 4.1Å; V342-K346 HydrophobicContact CB-CG 4.1Å; V342-K346 HydrophobicContact CG1-CG 4.11Å; V342-L347 HydrophobicContact CG2-CB 4.23Å; V342-I350 HydrophobicContact CG1-CD1 4.43Å; V342-I377 HydrophobicContact CG2-CB 4.04Å; V342-I377 HydrophobicContact CG2-CG2 3.79Å; V342-I377 PolarHBondContact N-O 3.1Å; V342-V379 HydrophobicContact CG1-CG2 4.35Å; V342-V379 HydrophobicContact CG2-CG2 3.47Å; V342-V379 VanDerWaalsContact CG2-CG2 3.47Å
343	T	94	Very high	91.4	Very high	80 Å²	80	64 Å²	64	49%	0.491	37%	0.366	S	S	.	.			trans	-83.5	165.5	166.7	76.1	0	0	0	0	110.6	E345 K346 L347	T343-E345 VanDerWaalsContact C-N 3.26Å; T343-E345 WeakPolarHBondContact CB-OE2 3.43Å; T343-E345 PolarHBondContact O-N 2.91Å; T343-E345 PolarHBondContact OG1-N 3.45Å; T343-E345 PolarHBondContact OG1-OE2 3.2Å; T343-K346 PolarHBondContact O-N 3.41Å; T343-K346 VanDerWaalsContact O-N 3.15Å; T343-K346 PolarHBondContact OG1-N 3.39Å; T343-L347 PolarHBondContact O-N 3.07Å
344	I	93.2	Very high	91.7	Very high	38 Å²	38	62 Å²	62	20%	0.195	36%	0.355	C	S	.	.	H	α-helix	trans	-63.9	-32.3	176.4	-167.9	159.5	0	0	0	112.4	L347 S348 W356 N357 F360 I377	I344-L347 PolarHBondContact O-N 3.09Å; I344-S348 WeakPolarHBondContact O-CB 3.32Å; I344-S348 PolarHBondContact O-N 3.02Å; I344-S348 PolarHBondContact O-OG 3.2Å; I344-W356 HydrophobicContact CD1-CB 4.46Å; I344-W356 HydrophobicContact CG1-CB 4.28Å; I344-N357 WeakPolarHBondContact CD1-OD1 3.33Å; I344-F360 HydrophobicContact CD1-CD2 3.99Å; I344-F360 HydrophobicContact CD1-CE2 4.14Å; I344-I377 HydrophobicContact CB-CD1 3.98Å; I344-I377 HydrophobicContact CG1-CD1 4.42Å
345	E	94.4	Very high	92.2	Very high	121 Å²	121	59.8 Å²	59.8	57%	0.565	35%	0.348	S	S	*	.	H	α-helix	trans	-64	-45.1	173.4	-58.7	73.1	-157.1	0	0	109.8	T343 L347 S348 E349	T343-E345 VanDerWaalsContact C-N 3.26Å; T343-E345 WeakPolarHBondContact CB-OE2 3.43Å; T343-E345 PolarHBondContact O-N 2.91Å; T343-E345 PolarHBondContact OG1-N 3.45Å; T343-E345 PolarHBondContact OG1-OE2 3.2Å; E345-L347 PolarHBondContact O-N 3.39Å; E345-S348 CarbonylContact O-C 3.6Å; E345-S348 WeakPolarHBondContact O-CB 3.32Å; E345-S348 PolarHBondContact O-N 3.05Å; E345-E349 WeakPolarHBondContact O-CG 3.26Å; E345-E349 PolarHBondContact O-N 2.62Å
346	K	95	Very high	93	Very high	74 Å²	74	55.4 Å²	55.4	32%	0.322	32%	0.319	S	S	.	.	H	α-helix	trans	-66.9	-37.2	178.4	-175.2	58.6	178.3	-179.1	0	112.3	V342 T343 S348 E349 I350	V342-K346 HydrophobicContact CB-CB 4.1Å; V342-K346 HydrophobicContact CB-CG 4.1Å; V342-K346 HydrophobicContact CG1-CG 4.11Å; T343-K346 PolarHBondContact O-N 3.41Å; T343-K346 VanDerWaalsContact O-N 3.15Å; T343-K346 PolarHBondContact OG1-N 3.39Å; K346-S348 VanDerWaalsContact C-N 3.31Å; K346-E349 HydrophobicContact CD-CB 4.42Å; K346-E349 WeakPolarHBondContact CD-OE2 3.43Å; K346-E349 IonicContact NZ-OE2 3.38Å; K346-E349 PolarHBondContact NZ-OE2 3.11Å; K346-E349 WeakPolarHBondContact O-CB 3.42Å; K346-E349 PolarHBondContact O-N 3.45Å; K346-I350 HydrophobicContact CG-CD1 4.38Å; K346-I350 VanDerWaalsContact O-CG1 3.3Å; K346-I350 WeakPolarHBondContact O-CG1 3.49Å; K346-I350 PolarHBondContact O-N 2.71Å
347	L	95.9	Very high	93.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-41.5	172.5	-177.8	64.5	0	0	0	111.4	I275 V342 T343 I344 E345 E349 I350 C351 W356 F360 I377 V379	I275-L347 HydrophobicContact CG1-CD2 4.39Å; V342-L347 HydrophobicContact CG2-CB 4.23Å; T343-L347 PolarHBondContact O-N 3.07Å; I344-L347 PolarHBondContact O-N 3.09Å; E345-L347 PolarHBondContact O-N 3.39Å; L347-E349 VanDerWaalsContact C-N 3.31Å; L347-E349 PolarHBondContact O-N 3.3Å; L347-I350 PolarHBondContact O-N 2.77Å; L347-I350 VanDerWaalsContact O-N 3.12Å; L347-C351 PolarHBondContact O-N 3.41Å; L347-W356 HydrophobicContact CD1-CD2 4.48Å; L347-W356 HydrophobicContact CD1-CH2 4.27Å; L347-W356 HydrophobicContact CD1-CZ2 3.92Å; L347-W356 HydrophobicContact CD2-CB 4.27Å; L347-W356 HydrophobicContact CD2-CD2 3.36Å; L347-W356 HydrophobicContact CD2-CE3 3.5Å; L347-W356 HydrophobicContact CD2-CG 3.71Å; L347-W356 HydrophobicContact CD2-CH2 4.33Å; L347-W356 HydrophobicContact CD2-CZ2 4.23Å; L347-W356 HydrophobicContact CD2-CZ3 4Å; L347-W356 HydrophobicContact CG-CD2 3.69Å; L347-W356 HydrophobicContact CG-CE3 4.24Å; L347-W356 HydrophobicContact CG-CG 3.95Å; L347-W356 HydrophobicContact CG-CH2 4.47Å; L347-W356 HydrophobicContact CG-CZ2 3.97Å; L347-W356 PolarHBondContact O-NE1 3.16Å; L347-F360 HydrophobicContact CD2-CE2 4.25Å; L347-F360 HydrophobicContact CD2-CZ 3.88Å; L347-I377 HydrophobicContact CD2-CD1 4.27Å; L347-I377 HydrophobicContact CD2-CG2 4.05Å; L347-V379 HydrophobicContact CD1-CG2 3.76Å
348	S	96.2	Very high	94.2	Very high	37 Å²	37	56.2 Å²	56.2	26%	0.259	31%	0.305	S	S	.	.	H	α-helix	trans	-66.1	-31.7	175.6	-55.8	0	0	0	0	112.5	I344 E345 K346 C351 P352	I344-S348 WeakPolarHBondContact O-CB 3.32Å; I344-S348 PolarHBondContact O-N 3.02Å; I344-S348 PolarHBondContact O-OG 3.2Å; E345-S348 CarbonylContact O-C 3.6Å; E345-S348 WeakPolarHBondContact O-CB 3.32Å; E345-S348 PolarHBondContact O-N 3.05Å; K346-S348 VanDerWaalsContact C-N 3.31Å; S348-C351 CarbonylContact O-C 3.36Å; S348-P352 WeakPolarHBondContact O-CA 3.43Å
349	E	95.9	Very high	94.7	Very high	123 Å²	123	53.9 Å²	53.9	58%	0.575	29%	0.289	S	S	*	.	H	α-helix	trans	-68.9	-36.6	169.2	-69.6	177.2	-173.2	0	0	112.7	E345 K346 L347	E345-E349 WeakPolarHBondContact O-CG 3.26Å; E345-E349 PolarHBondContact O-N 2.62Å; K346-E349 HydrophobicContact CD-CB 4.42Å; K346-E349 WeakPolarHBondContact CD-OE2 3.43Å; K346-E349 IonicContact NZ-OE2 3.38Å; K346-E349 PolarHBondContact NZ-OE2 3.11Å; K346-E349 WeakPolarHBondContact O-CB 3.42Å; K346-E349 PolarHBondContact O-N 3.45Å; L347-E349 VanDerWaalsContact C-N 3.31Å; L347-E349 PolarHBondContact O-N 3.3Å
350	I	95.9	Very high	94.9	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-68	-43	-180	-69.6	163	0	0	0	110.7	V342 K346 L347 Q382 L385 R386	V342-I350 HydrophobicContact CG1-CD1 4.43Å; K346-I350 HydrophobicContact CG-CD1 4.38Å; K346-I350 VanDerWaalsContact O-CG1 3.3Å; K346-I350 WeakPolarHBondContact O-CG1 3.49Å; K346-I350 PolarHBondContact O-N 2.71Å; L347-I350 PolarHBondContact O-N 2.77Å; L347-I350 VanDerWaalsContact O-N 3.12Å; I350-Q382 HydrophobicContact CD1-CB 4.4Å; I350-Q382 HydrophobicContact CD1-CG 4.07Å; I350-L385 HydrophobicContact CG2-CB 4.38Å; I350-L385 HydrophobicContact CG2-CD2 3.94Å; I350-L385 HydrophobicContact CG2-CG 4.09Å; I350-R386 HydrophobicContact CG2-CB 4.38Å
351	C	96.8	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.			trans	-139.7	94.5	174.7	-172.7	0	0	0	0	111.6	L347 S348 L353 W356 C389	L347-C351 PolarHBondContact O-N 3.41Å; S348-C351 CarbonylContact O-C 3.36Å; C351-L353 VanDerWaalsContact C-N 3.27Å; C351-L353 PolarHBondContact O-N 3.06Å; C351-W356 HydrophobicContact CB-CZ2 4.19Å; C351-W356 PolarHBondContact O-NE1 3Å; C351-C389 WeakPolarHBondContact CA-SG 3.43Å; C351-C389 HydrophobicContact CB-CB 3.64Å; C351-C389 WeakPolarHBondContact CB-SG 3.41Å; C351-C389 WeakPolarHBondContact SG-CB 3.18Å; C351-C389 CovalentContact SG-SG 2.04Å; C351-C389 PolarHBondContact SG-SG 3.07Å
352	P	95.5	Very high	95	Very high	96 Å²	96	47 Å²	47	62%	0.623	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.3	-176.6	29.4	-35.4	0	0	0	114	S348 I354	S348-P352 WeakPolarHBondContact O-CA 3.43Å; P352-I354 PolarHBondContact O-N 3.03Å
353	L	94	Very high	95	Very high	35 Å²	35	46 Å²	46	18%	0.183	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.5	178.3	-62.5	178.2	0	0	0	113.6	L244 C351 C389 H392 A393 M396	L244-L353 HydrophobicContact CD1-CB 4.14Å; L244-L353 HydrophobicContact CD1-CD1 3.88Å; C351-L353 VanDerWaalsContact C-N 3.27Å; C351-L353 PolarHBondContact O-N 3.06Å; L353-C389 VanDerWaalsContact CD1-O 3.29Å; L353-C389 WeakPolarHBondContact CD1-O 3.46Å; L353-H392 HydrophobicContact CD1-CB 3.66Å; L353-A393 HydrophobicContact CD1-CB 3.82Å; L353-A393 VanDerWaalsContact CD1-N 3.27Å; L353-A393 HydrophobicContact CD2-CB 3.9Å; L353-A393 HydrophobicContact CG-CB 4.17Å; L353-M396 HydrophobicContact CD2-CE 4.24Å; L353-M396 HydrophobicContact CD2-CG 4.49Å
354	I	96.3	Very high	94.9	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.222	C	C	.	.	S	Bend	trans	-105.5	119	-178.9	-54.9	-57.4	0	0	0	108	L244 F248 F261 P352 W356 L359	L244-I354 HydrophobicContact CB-CD1 3.92Å; F248-I354 HydrophobicContact CD2-CD1 4.01Å; F248-I354 HydrophobicContact CE2-CD1 4.29Å; F261-I354 HydrophobicContact CE1-CD1 4.27Å; F261-I354 HydrophobicContact CE1-CG1 4.21Å; P352-I354 PolarHBondContact O-N 3.03Å; I354-W356 VanDerWaalsContact C-N 3.3Å; I354-W356 HydrophobicContact CB-CD2 4.2Å; I354-W356 HydrophobicContact CB-CZ2 4.05Å; I354-W356 HydrophobicContact CG1-CZ2 4.32Å; I354-W356 HydrophobicContact CG2-CD2 3.8Å; I354-W356 HydrophobicContact CG2-CE3 3.99Å; I354-W356 HydrophobicContact CG2-CG 4.26Å; I354-W356 HydrophobicContact CG2-CH2 4.43Å; I354-W356 HydrophobicContact CG2-CZ2 4.24Å; I354-W356 HydrophobicContact CG2-CZ3 4.31Å; I354-W356 PolarHBondContact O-N 3.08Å; I354-W356 PolarHBondContact O-NE1 3.46Å; I354-L359 HydrophobicContact CG2-CD2 4.1Å
355	D	95.7	Very high	94.8	Very high	79 Å²	79	47.2 Å²	47.2	42%	0.422	24%	0.239	S	C	.	.			trans	-71.3	89.9	163.1	-169.6	-29.3	0	0	0	109.2	T245 N357 V358 L359	T245-D355 PolarHBondContact OG1-N 2.83Å; D355-N357 VanDerWaalsContact C-N 3.29Å; D355-N357 PolarHBondContact O-N 2.96Å; D355-N357 PolarHBondContact OD1-N 3.24Å; D355-V358 HydrophobicContact CB-CB 4.08Å; D355-V358 HydrophobicContact CB-CG2 4.3Å; D355-V358 PolarHBondContact O-N 2.74Å; D355-V358 WeakPolarHBondContact OD1-CG2 3.35Å; D355-V358 PolarHBondContact OD1-N 3.34Å; D355-V358 WeakPolarHBondContact OD2-CG2 3.12Å; D355-L359 WeakPolarHBondContact O-CB 3.2Å; D355-L359 PolarHBondContact O-N 3.31Å
356	W	95.9	Very high	94.4	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-33.5	-177	-64.9	101.1	0	0	0	112.8	F261 I275 I344 L347 C351 I354 L359 F360	F261-W356 HydrophobicContact CD1-CH2 4.12Å; F261-W356 HydrophobicContact CD2-CH2 4Å; F261-W356 HydrophobicContact CD2-CZ3 4.03Å; F261-W356 HydrophobicContact CE1-CH2 4.3Å; F261-W356 HydrophobicContact CE2-CH2 4.2Å; F261-W356 AromaticContact CE2-CZ3 3.87Å; F261-W356 HydrophobicContact CE2-CZ3 3.87Å; F261-W356 AromaticContact CG-CH2 3.97Å; F261-W356 HydrophobicContact CG-CH2 3.97Å; F261-W356 HydrophobicContact CG-CZ3 4.44Å; F261-W356 HydrophobicContact CZ-CH2 4.35Å; F261-W356 HydrophobicContact CZ-CZ3 4.12Å; I275-W356 HydrophobicContact CD1-CZ3 3.93Å; I275-W356 HydrophobicContact CG1-CZ3 4.38Å; I275-W356 HydrophobicContact CG2-CH2 4.09Å; I344-W356 HydrophobicContact CD1-CB 4.46Å; I344-W356 HydrophobicContact CG1-CB 4.28Å; L347-W356 HydrophobicContact CD1-CD2 4.48Å; L347-W356 HydrophobicContact CD1-CH2 4.27Å; L347-W356 HydrophobicContact CD1-CZ2 3.92Å; L347-W356 HydrophobicContact CD2-CB 4.27Å; L347-W356 HydrophobicContact CD2-CD2 3.36Å; L347-W356 HydrophobicContact CD2-CE3 3.5Å; L347-W356 HydrophobicContact CD2-CG 3.71Å; L347-W356 HydrophobicContact CD2-CH2 4.33Å; L347-W356 HydrophobicContact CD2-CZ2 4.23Å; L347-W356 HydrophobicContact CD2-CZ3 4Å; L347-W356 HydrophobicContact CG-CD2 3.69Å; L347-W356 HydrophobicContact CG-CE3 4.24Å; L347-W356 HydrophobicContact CG-CG 3.95Å; L347-W356 HydrophobicContact CG-CH2 4.47Å; L347-W356 HydrophobicContact CG-CZ2 3.97Å; L347-W356 PolarHBondContact O-NE1 3.16Å; C351-W356 HydrophobicContact CB-CZ2 4.19Å; C351-W356 PolarHBondContact O-NE1 3Å; I354-W356 VanDerWaalsContact C-N 3.3Å; I354-W356 HydrophobicContact CB-CD2 4.2Å; I354-W356 HydrophobicContact CB-CZ2 4.05Å; I354-W356 HydrophobicContact CG1-CZ2 4.32Å; I354-W356 HydrophobicContact CG2-CD2 3.8Å; I354-W356 HydrophobicContact CG2-CE3 3.99Å; I354-W356 HydrophobicContact CG2-CG 4.26Å; I354-W356 HydrophobicContact CG2-CH2 4.43Å; I354-W356 HydrophobicContact CG2-CZ2 4.24Å; I354-W356 HydrophobicContact CG2-CZ3 4.31Å; I354-W356 PolarHBondContact O-N 3.08Å; I354-W356 PolarHBondContact O-NE1 3.46Å; W356-L359 HydrophobicContact CE3-CD2 3.95Å; W356-L359 HydrophobicContact CZ3-CD2 4.04Å; W356-L359 PolarHBondContact O-N 2.78Å; W356-F360 HydrophobicContact CB-CE2 4.37Å; W356-F360 AromaticContact CE3-CE1 3.91Å; W356-F360 HydrophobicContact CE3-CE1 3.91Å; W356-F360 AromaticContact CE3-CZ 3.82Å; W356-F360 HydrophobicContact CE3-CZ 3.82Å; W356-F360 HydrophobicContact CZ3-CE1 4.41Å; W356-F360 HydrophobicContact CZ3-CZ 4.47Å; W356-F360 WeakPolarHBondContact O-CB 3.19Å; W356-F360 WeakPolarHBondContact O-CD2 3.31Å; W356-F360 WeakPolarHBondContact O-CG 3.17Å; W356-F360 PolarHBondContact O-N 3.24Å
357	N	93.9	Very high	93.9	Very high	94 Å²	94	41 Å²	41	50%	0.503	21%	0.211	S	C	.	.	H	α-helix	trans	-64	-51.3	176.4	-78.2	-59.6	0	0	0	110.6	I344 D355 L359 F360 E361	I344-N357 WeakPolarHBondContact CD1-OD1 3.33Å; D355-N357 VanDerWaalsContact C-N 3.29Å; D355-N357 PolarHBondContact O-N 2.96Å; D355-N357 PolarHBondContact OD1-N 3.24Å; N357-L359 VanDerWaalsContact C-N 3.3Å; N357-L359 PolarHBondContact O-N 2.9Å; N357-F360 PolarHBondContact O-N 3.16Å; N357-E361 VanDerWaalsContact O-CB 3.24Å; N357-E361 WeakPolarHBondContact O-CB 3.38Å; N357-E361 PolarHBondContact O-N 2.82Å
358	V	94.3	Very high	93.4	Very high	67 Å²	67	49.8 Å²	49.8	41%	0.406	25%	0.249	S	C	.	.	H	α-helix	trans	-64	-37.7	178.2	172.1	0	0	0	0	111.3	T245 D355 S362	T245-V358 HydrophobicContact CG2-CG1 4.4Å; D355-V358 HydrophobicContact CB-CB 4.08Å; D355-V358 HydrophobicContact CB-CG2 4.3Å; D355-V358 PolarHBondContact O-N 2.74Å; D355-V358 WeakPolarHBondContact OD1-CG2 3.35Å; D355-V358 PolarHBondContact OD1-N 3.34Å; D355-V358 WeakPolarHBondContact OD2-CG2 3.12Å; V358-S362 VanDerWaalsContact O-CB 3.28Å; V358-S362 WeakPolarHBondContact O-CB 3.32Å; V358-S362 PolarHBondContact O-N 2.84Å; V358-S362 PolarHBondContact O-OG 3.11Å
359	L	95.6	Very high	92.8	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-62.5	-54.9	177	-172.8	75.5	0	0	0	111.2	T245 L249 L252 F261 I354 D355 W356 N357 S362 I363	T245-L359 HydrophobicContact CG2-CB 4Å; T245-L359 HydrophobicContact CG2-CD1 4.05Å; L249-L359 HydrophobicContact CD1-CD1 4.29Å; L252-L359 HydrophobicContact CD2-CD1 3.82Å; L252-L359 HydrophobicContact CD2-CD2 4.06Å; L252-L359 HydrophobicContact CD2-CG 4.17Å; F261-L359 HydrophobicContact CE2-CD2 3.84Å; F261-L359 HydrophobicContact CZ-CD2 3.49Å; F261-L359 VanDerWaalsContact CZ-CD2 3.49Å; I354-L359 HydrophobicContact CG2-CD2 4.1Å; D355-L359 WeakPolarHBondContact O-CB 3.2Å; D355-L359 PolarHBondContact O-N 3.31Å; W356-L359 HydrophobicContact CE3-CD2 3.95Å; W356-L359 HydrophobicContact CZ3-CD2 4.04Å; W356-L359 PolarHBondContact O-N 2.78Å; N357-L359 VanDerWaalsContact C-N 3.3Å; N357-L359 PolarHBondContact O-N 2.9Å; L359-S362 PolarHBondContact O-N 3.27Å; L359-I363 HydrophobicContact CG-CD1 4.28Å; L359-I363 WeakPolarHBondContact O-CG1 3.4Å; L359-I363 PolarHBondContact O-N 3.36Å; L359-I363 VanDerWaalsContact O-N 3.1Å
360	F	95.2	Very high	92.1	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.022	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-44.9	-179.1	-64.6	-19.8	0	0	0	111.1	L263 I273 I275 I344 L347 W356 N357 S362 I363 F364 Y372 I377	L263-F360 HydrophobicContact CD1-CD1 4.05Å; L263-F360 HydrophobicContact CD1-CE1 3.63Å; I273-F360 HydrophobicContact CD1-CD2 4.26Å; I273-F360 HydrophobicContact CD1-CE2 4.22Å; I273-F360 HydrophobicContact CD1-CG 4.49Å; I273-F360 HydrophobicContact CD1-CZ 4.4Å; I273-F360 HydrophobicContact CG2-CE1 4.09Å; I273-F360 HydrophobicContact CG2-CZ 4.04Å; I275-F360 HydrophobicContact CD1-CE1 4.37Å; I275-F360 HydrophobicContact CD1-CZ 4.45Å; I344-F360 HydrophobicContact CD1-CD2 3.99Å; I344-F360 HydrophobicContact CD1-CE2 4.14Å; L347-F360 HydrophobicContact CD2-CE2 4.25Å; L347-F360 HydrophobicContact CD2-CZ 3.88Å; W356-F360 HydrophobicContact CB-CE2 4.37Å; W356-F360 AromaticContact CE3-CE1 3.91Å; W356-F360 HydrophobicContact CE3-CE1 3.91Å; W356-F360 AromaticContact CE3-CZ 3.82Å; W356-F360 HydrophobicContact CE3-CZ 3.82Å; W356-F360 HydrophobicContact CZ3-CE1 4.41Å; W356-F360 HydrophobicContact CZ3-CZ 4.47Å; W356-F360 WeakPolarHBondContact O-CB 3.19Å; W356-F360 WeakPolarHBondContact O-CD2 3.31Å; W356-F360 WeakPolarHBondContact O-CG 3.17Å; W356-F360 PolarHBondContact O-N 3.24Å; N357-F360 PolarHBondContact O-N 3.16Å; F360-S362 PolarHBondContact O-N 3.12Å; F360-I363 PolarHBondContact O-N 3Å; F360-I363 VanDerWaalsContact O-N 3.13Å; F360-F364 HydrophobicContact CB-CD2 4.16Å; F360-F364 HydrophobicContact CB-CE2 4.36Å; F360-F364 VanDerWaalsContact O-CD2 3.23Å; F360-F364 WeakPolarHBondContact O-CD2 3.46Å; F360-F364 PolarHBondContact O-N 3.03Å; F360-Y372 HydrophobicContact CB-CD2 4.12Å; F360-Y372 HydrophobicContact CB-CE2 3.81Å; F360-I377 HydrophobicContact CE2-CD1 3.88Å
361	E	94.1	Very high	91.5	Very high	96 Å²	96	57.1 Å²	57.1	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-56.1	-41.7	174.5	-172	-174.4	150	0	0	111.6	N357 I363 R365 Y372	N357-E361 VanDerWaalsContact O-CB 3.24Å; N357-E361 WeakPolarHBondContact O-CB 3.38Å; N357-E361 PolarHBondContact O-N 2.82Å; E361-I363 PolarHBondContact O-N 3.37Å; E361-R365 WeakPolarHBondContact O-CB 3.43Å; E361-R365 PolarHBondContact O-N 2.86Å; E361-R365 IonicContact OE1-NH1 2.96Å; E361-Y372 VanDerWaalsContact CA-OH 3.31Å; E361-Y372 WeakPolarHBondContact CA-OH 3.36Å; E361-Y372 WeakPolarHBondContact CB-OH 3.46Å
362	S	93.5	Very high	91.1	Very high	15 Å²	15	58.5 Å²	58.5	11%	0.105	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-37.3	178.9	-63.1	0	0	0	0	112.9	V358 L359 F360 E366	V358-S362 VanDerWaalsContact O-CB 3.28Å; V358-S362 WeakPolarHBondContact O-CB 3.32Å; V358-S362 PolarHBondContact O-N 2.84Å; V358-S362 PolarHBondContact O-OG 3.11Å; L359-S362 PolarHBondContact O-N 3.27Å; F360-S362 PolarHBondContact O-N 3.12Å; S362-E366 WeakPolarHBondContact O-CG 3.11Å
363	I	93	Very high	90.7	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-74.3	-51.1	177.9	-62.4	167	0	0	0	110.7	L249 L252 L263 L359 F360 E361 R365 E366 F546 L547 I550	L249-I363 HydrophobicContact CD1-CG1 4.41Å; L252-I363 HydrophobicContact CD2-CD1 3.62Å; L263-I363 HydrophobicContact CD1-CD1 3.95Å; L359-I363 HydrophobicContact CG-CD1 4.28Å; L359-I363 WeakPolarHBondContact O-CG1 3.4Å; L359-I363 PolarHBondContact O-N 3.36Å; L359-I363 VanDerWaalsContact O-N 3.1Å; F360-I363 PolarHBondContact O-N 3Å; F360-I363 VanDerWaalsContact O-N 3.13Å; E361-I363 PolarHBondContact O-N 3.37Å; I363-R365 VanDerWaalsContact C-N 3.32Å; I363-R365 PolarHBondContact O-N 2.97Å; I363-E366 WeakPolarHBondContact O-CB 3.28Å; I363-E366 PolarHBondContact O-N 3.46Å; I363-E366 VanDerWaalsContact O-N 3.17Å; I363-F546 HydrophobicContact CG2-CE1 4.41Å; I363-L547 HydrophobicContact CG2-CD2 4.46Å; I363-I550 HydrophobicContact CG2-CD1 3.61Å
364	F	92	Very high	90.3	Very high	2 Å²	2	67 Å²	67	1%	0.009	32%	0.323	C	S	.	.	H	α-helix	trans	-73.7	-22.4	-174.4	-74.1	-75.2	0	0	0	113.3	L265 I273 F360 E366 L367 K368 Y369 Y372 M375 I550 L554	L265-F364 HydrophobicContact CD1-CZ 4.44Å; I273-F364 HydrophobicContact CD1-CE2 3.79Å; I273-F364 HydrophobicContact CD1-CZ 4.01Å; I273-F364 HydrophobicContact CG1-CE2 4.44Å; I273-F364 HydrophobicContact CG1-CZ 4.21Å; F360-F364 HydrophobicContact CB-CD2 4.16Å; F360-F364 HydrophobicContact CB-CE2 4.36Å; F360-F364 VanDerWaalsContact O-CD2 3.23Å; F360-F364 WeakPolarHBondContact O-CD2 3.46Å; F360-F364 PolarHBondContact O-N 3.03Å; F364-E366 VanDerWaalsContact C-N 3.32Å; F364-L367 HydrophobicContact CD1-CD1 3.92Å; F364-L367 HydrophobicContact CE1-CD1 4.3Å; F364-L367 CarbonylContact O-C 3.31Å; F364-L367 PolarHBondContact O-N 3.35Å; F364-L367 VanDerWaalsContact O-N 3.16Å; F364-K368 PolarHBondContact O-N 3.47Å; F364-K368 VanDerWaalsContact O-N 3.08Å; F364-Y369 HydrophobicContact CD1-CD1 4.03Å; F364-Y369 HydrophobicContact CE1-CD1 4.41Å; F364-Y369 PolarHBondContact O-N 3.32Å; F364-Y369 VanDerWaalsContact O-N 3.07Å; F364-Y372 HydrophobicContact CB-CD1 3.45Å; F364-Y372 VanDerWaalsContact CB-CD1 3.45Å; F364-Y372 HydrophobicContact CB-CD2 4.33Å; F364-Y372 HydrophobicContact CB-CE1 3.71Å; F364-Y372 HydrophobicContact CB-CG 3.79Å; F364-Y372 HydrophobicContact CD1-CD1 4.28Å; F364-Y372 HydrophobicContact CD1-CG 4.02Å; F364-Y372 AromaticContact CD2-CD1 3.96Å; F364-Y372 HydrophobicContact CD2-CD1 3.96Å; F364-Y372 AromaticContact CD2-CD2 3.35Å; F364-Y372 HydrophobicContact CD2-CD2 3.35Å; F364-Y372 AromaticContact CD2-CE2 3.99Å; F364-Y372 HydrophobicContact CD2-CE2 3.99Å; F364-Y372 AromaticContact CD2-CG 3.33Å; F364-Y372 HydrophobicContact CD2-CG 3.33Å; F364-Y372 HydrophobicContact CE1-CG 4.44Å; F364-Y372 AromaticContact CE2-CD2 3.79Å; F364-Y372 HydrophobicContact CE2-CD2 3.79Å; F364-Y372 AromaticContact CE2-CG 3.85Å; F364-Y372 HydrophobicContact CE2-CG 3.85Å; F364-Y372 AromaticContact CG-CD1 3.65Å; F364-Y372 HydrophobicContact CG-CD1 3.65Å; F364-Y372 AromaticContact CG-CD2 3.95Å; F364-Y372 HydrophobicContact CG-CD2 3.95Å; F364-Y372 HydrophobicContact CG-CE1 4.31Å; F364-Y372 AromaticContact CG-CG 3.44Å; F364-Y372 HydrophobicContact CG-CG 3.44Å; F364-Y372 VanDerWaalsContact CG-CG 3.44Å; F364-Y372 HydrophobicContact CZ-CG 4.38Å; F364-M375 HydrophobicContact CE1-SD 4.36Å; F364-M375 HydrophobicContact CZ-SD 4.14Å; F364-I550 HydrophobicContact CE1-CG2 4.21Å; F364-L554 HydrophobicContact CE1-CD1 4.43Å
365	R	90.7	Very high	90	Very high	141 Å²	141	68 Å²	68	53%	0.532	33%	0.328	S	S	.	.	H	α-helix	trans	-63.1	-36.9	168.7	-177.7	176.6	64.5	-126.2	-6	112.2	E361 I363 L367 K368	E361-R365 WeakPolarHBondContact O-CB 3.43Å; E361-R365 PolarHBondContact O-N 2.86Å; E361-R365 IonicContact OE1-NH1 2.96Å; I363-R365 VanDerWaalsContact C-N 3.32Å; I363-R365 PolarHBondContact O-N 2.97Å; R365-L367 PolarHBondContact O-N 2.76Å; R365-K368 PolarHBondContact O-N 3.49Å; R365-K368 VanDerWaalsContact O-N 3.13Å
366	E	87.7	Confident	89.8	Confident	50 Å²	50	68.4 Å²	68.4	23%	0.234	33%	0.328	C	S	.	.	H	α-helix	trans	-63.5	-31.5	174.5	-61.2	-79.1	173.1	0	0	111.5	S362 I363 F364 K543 L547	S362-E366 WeakPolarHBondContact O-CG 3.11Å; I363-E366 WeakPolarHBondContact O-CB 3.28Å; I363-E366 PolarHBondContact O-N 3.46Å; I363-E366 VanDerWaalsContact O-N 3.17Å; F364-E366 VanDerWaalsContact C-N 3.32Å; E366-K543 VanDerWaalsContact CD-CE 3.43Å; E366-K543 IonicContact OE1-NZ 3.17Å; E366-K543 PolarHBondContact OE1-NZ 3.41Å; E366-K543 WeakPolarHBondContact OE2-CE 3.35Å; E366-K543 IonicContact OE2-NZ 3.97Å; E366-K543 PolarHBondContact OE2-NZ 3.17Å; E366-L547 HydrophobicContact CB-CD1 3.8Å; E366-L547 HydrophobicContact CB-CD2 3.88Å
367	L	84.1	Confident	89.8	Confident	13 Å²	13	68.9 Å²	68.9	7%	0.068	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.5	177	-60.1	173.6	0	0	0	113.5	F364 R365 Y369 F523 L547 I550 L554	F364-L367 HydrophobicContact CD1-CD1 3.92Å; F364-L367 HydrophobicContact CE1-CD1 4.3Å; F364-L367 CarbonylContact O-C 3.31Å; F364-L367 PolarHBondContact O-N 3.35Å; F364-L367 VanDerWaalsContact O-N 3.16Å; R365-L367 PolarHBondContact O-N 2.76Å; L367-Y369 PolarHBondContact O-N 2.89Å; L367-F523 HydrophobicContact CD2-CD1 4.31Å; L367-F523 HydrophobicContact CD2-CD2 4.42Å; L367-F523 HydrophobicContact CD2-CE1 3.64Å; L367-F523 HydrophobicContact CD2-CE2 3.76Å; L367-F523 HydrophobicContact CD2-CZ 3.33Å; L367-L547 HydrophobicContact CD2-CB 3.79Å; L367-L547 HydrophobicContact CD2-CD2 3.88Å; L367-L547 HydrophobicContact CD2-CG 4.35Å; L367-L547 HydrophobicContact CG-CD2 4.06Å; L367-I550 HydrophobicContact CD1-CB 4Å; L367-I550 HydrophobicContact CD1-CG2 3.46Å; L367-I550 VanDerWaalsContact CD1-CG2 3.46Å; L367-L554 HydrophobicContact CD1-CD1 4.27Å
368	K	84.2	Confident	89.8	Confident	186 Å²	186	65.2 Å²	65.2	81%	0.809	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	34.9	-168.8	-57.7	177.8	-178.7	173	0	112.8	F364 R365	F364-K368 PolarHBondContact O-N 3.47Å; F364-K368 VanDerWaalsContact O-N 3.08Å; R365-K368 PolarHBondContact O-N 3.49Å; R365-K368 VanDerWaalsContact O-N 3.13Å
369	Y	84.3	Confident	89.9	Confident	71 Å²	71	62 Å²	62	28%	0.278	29%	0.291	S	S	.	.			trans	-110.3	114.8	-175.6	-172.1	-88.4	0	0	0	109.9	F364 L367 Y372 M375 L554	F364-Y369 HydrophobicContact CD1-CD1 4.03Å; F364-Y369 HydrophobicContact CE1-CD1 4.41Å; F364-Y369 PolarHBondContact O-N 3.32Å; F364-Y369 VanDerWaalsContact O-N 3.07Å; L367-Y369 PolarHBondContact O-N 2.89Å; Y369-Y372 WeakPolarHBondContact O-CD1 3.46Å; Y369-M375 HydrophobicContact CD1-CE 4.21Å; Y369-M375 HydrophobicContact CE1-CE 3.28Å; Y369-L554 HydrophobicContact CD1-CD1 4.19Å; Y369-L554 HydrophobicContact CD1-CD2 4.47Å; Y369-L554 HydrophobicContact CD2-CD1 3.9Å; Y369-L554 HydrophobicContact CE1-CD1 4.47Å; Y369-L554 HydrophobicContact CE1-CD2 4.01Å; Y369-L554 HydrophobicContact CE2-CB 4.49Å; Y369-L554 HydrophobicContact CE2-CD1 4.16Å; Y369-L554 HydrophobicContact CE2-CD2 4.25Å; Y369-L554 HydrophobicContact CG-CD1 3.89Å
370	E	81.6	Confident	89.8	Confident	168 Å²	168	64.2 Å²	64.2	79%	0.785	30%	0.301	S	S	*	.			trans	-96.8	-21.9	-173.6	-64.1	-171.1	170.2	0	0	114.2	Y372	E370-Y372 WeakPolarHBondContact O-CD1 3.37Å; E370-Y372 PolarHBondContact O-N 3.41Å; E370-Y372 VanDerWaalsContact O-N 3.12Å
371	S	83.8	Confident	89.7	Confident	76 Å²	76	64.9 Å²	64.9	53%	0.531	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-74.2	0.3	-174.1	-57.4	0	0	0	0	114.7	K373 N374	S371-K373 PolarHBondContact O-N 2.97Å; S371-N374 PolarHBondContact O-N 3.42Å
372	Y	88.1	Confident	89.7	Confident	28 Å²	28	62.1 Å²	62.1	11%	0.11	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-63.9	-21.8	-177.7	71.2	-82.9	0	0	0	113.6	F360 E361 F364 Y369 E370 N374 M375	F360-Y372 HydrophobicContact CB-CD2 4.12Å; F360-Y372 HydrophobicContact CB-CE2 3.81Å; E361-Y372 VanDerWaalsContact CA-OH 3.31Å; E361-Y372 WeakPolarHBondContact CA-OH 3.36Å; E361-Y372 WeakPolarHBondContact CB-OH 3.46Å; F364-Y372 HydrophobicContact CB-CD1 3.45Å; F364-Y372 VanDerWaalsContact CB-CD1 3.45Å; F364-Y372 HydrophobicContact CB-CD2 4.33Å; F364-Y372 HydrophobicContact CB-CE1 3.71Å; F364-Y372 HydrophobicContact CB-CG 3.79Å; F364-Y372 HydrophobicContact CD1-CD1 4.28Å; F364-Y372 HydrophobicContact CD1-CG 4.02Å; F364-Y372 AromaticContact CD2-CD1 3.96Å; F364-Y372 HydrophobicContact CD2-CD1 3.96Å; F364-Y372 AromaticContact CD2-CD2 3.35Å; F364-Y372 HydrophobicContact CD2-CD2 3.35Å; F364-Y372 AromaticContact CD2-CE2 3.99Å; F364-Y372 HydrophobicContact CD2-CE2 3.99Å; F364-Y372 AromaticContact CD2-CG 3.33Å; F364-Y372 HydrophobicContact CD2-CG 3.33Å; F364-Y372 HydrophobicContact CE1-CG 4.44Å; F364-Y372 AromaticContact CE2-CD2 3.79Å; F364-Y372 HydrophobicContact CE2-CD2 3.79Å; F364-Y372 AromaticContact CE2-CG 3.85Å; F364-Y372 HydrophobicContact CE2-CG 3.85Å; F364-Y372 AromaticContact CG-CD1 3.65Å; F364-Y372 HydrophobicContact CG-CD1 3.65Å; F364-Y372 AromaticContact CG-CD2 3.95Å; F364-Y372 HydrophobicContact CG-CD2 3.95Å; F364-Y372 HydrophobicContact CG-CE1 4.31Å; F364-Y372 AromaticContact CG-CG 3.44Å; F364-Y372 HydrophobicContact CG-CG 3.44Å; F364-Y372 VanDerWaalsContact CG-CG 3.44Å; F364-Y372 HydrophobicContact CZ-CG 4.38Å; Y369-Y372 WeakPolarHBondContact O-CD1 3.46Å; E370-Y372 WeakPolarHBondContact O-CD1 3.37Å; E370-Y372 PolarHBondContact O-N 3.41Å; E370-Y372 VanDerWaalsContact O-N 3.12Å; Y372-N374 PolarHBondContact O-N 3.34Å; Y372-N374 VanDerWaalsContact O-N 3.11Å; Y372-M375 WeakPolarHBondContact O-CB 3.3Å; Y372-M375 PolarHBondContact O-N 2.53Å
373	K	87.3	Confident	89.7	Confident	160 Å²	160	66.3 Å²	66.3	70%	0.696	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-60.9	-21.5	-178.8	-65.3	-178.1	179	177.3	0	113.7	S371	S371-K373 PolarHBondContact O-N 2.97Å
374	N	85.1	Confident	89.8	Confident	150 Å²	150	66.4 Å²	66.4	80%	0.802	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-101.1	1.7	179.2	-60.8	-27.8	0	0	0	113	S371 Y372	S371-N374 PolarHBondContact O-N 3.42Å; Y372-N374 PolarHBondContact O-N 3.34Å; Y372-N374 VanDerWaalsContact O-N 3.11Å
375	M	89.8	Confident	90	Very high	24 Å²	24	66.3 Å²	66.3	12%	0.118	31%	0.314	C	S	.	.			trans	-69.5	143.6	-179.5	-73.4	174.6	-177.6	0	0	111.2	L265 P271 I273 F364 Y369 Y372 L554	L265-M375 HydrophobicContact CD1-SD 3.96Å; P271-M375 HydrophobicContact CB-CE 4.17Å; I273-M375 HydrophobicContact CD1-CB 4.35Å; I273-M375 HydrophobicContact CG1-CB 4.3Å; I273-M375 HydrophobicContact CG1-SD 4.25Å; F364-M375 HydrophobicContact CE1-SD 4.36Å; F364-M375 HydrophobicContact CZ-SD 4.14Å; Y369-M375 HydrophobicContact CD1-CE 4.21Å; Y369-M375 HydrophobicContact CE1-CE 3.28Å; Y372-M375 WeakPolarHBondContact O-CB 3.3Å; Y372-M375 PolarHBondContact O-N 2.53Å; M375-L554 HydrophobicContact CE-CD2 3.13Å; M375-L554 HydrophobicContact SD-CD2 4.27Å
376	E	91.8	Very high	90.2	Very high	89 Å²	89	63.8 Å²	63.8	42%	0.416	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	143.2	169.3	-63.4	-171.9	142.7	0	0	109.8	S272 I273 K341	S272-E376 CarbonylContact C-O 3.49Å; S272-E376 VanDerWaalsContact CA-O 3.3Å; S272-E376 WeakPolarHBondContact CA-O 3.49Å; S272-E376 WeakPolarHBondContact CB-O 3.09Å; I273-E376 PolarHBondContact N-O 3.09Å; K341-E376 WeakPolarHBondContact CE-OE2 3.08Å; K341-E376 IonicContact NZ-OE1 2.75Å; K341-E376 PolarHBondContact NZ-OE1 2.89Å; K341-E376 IonicContact NZ-OE2 2.76Å; K341-E376 PolarHBondContact NZ-OE2 2.96Å
377	I	95.3	Very high	90.6	Very high	10 Å²	10	65.4 Å²	65.4	5%	0.051	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.8	173.9	-58.2	170.6	0	0	0	107.5	I273 I275 K341 V342 I344 L347 F360 V379	I273-I377 HydrophobicContact CB-CG1 4.45Å; I273-I377 CarbonylContact O-C 3.58Å; I273-I377 WeakPolarHBondContact O-CA 3.34Å; I275-I377 HydrophobicContact CG1-CG2 4.28Å; K341-I377 CarbonylContact C-O 3.49Å; K341-I377 WeakPolarHBondContact CA-O 3.4Å; V342-I377 HydrophobicContact CG2-CB 4.04Å; V342-I377 HydrophobicContact CG2-CG2 3.79Å; V342-I377 PolarHBondContact N-O 3.1Å; I344-I377 HydrophobicContact CB-CD1 3.98Å; I344-I377 HydrophobicContact CG1-CD1 4.42Å; L347-I377 HydrophobicContact CD2-CD1 4.27Å; L347-I377 HydrophobicContact CD2-CG2 4.05Å; F360-I377 HydrophobicContact CE2-CD1 3.88Å; I377-V379 HydrophobicContact CG2-CG2 4.18Å
378	I	94.8	Very high	91.3	Very high	18 Å²	18	64.8 Å²	64.8	9%	0.092	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.9	174.8	-59.9	176.9	0	0	0	107.6	V266 S272 I273 I275 V339 S340 K341	V266-I378 HydrophobicContact CG2-CD1 4.35Å; S272-I378 WeakPolarHBondContact OG-CD1 2.96Å; I273-I378 PolarHBondContact O-N 3.08Å; I275-I378 PolarHBondContact N-O 3.3Å; V339-I378 HydrophobicContact CG1-CG2 3.37Å; S340-I378 WeakPolarHBondContact O-CA 3.14Å; K341-I378 HydrophobicContact CG-CG1 4.39Å
379	V	95.9	Very high	91.9	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.2	174.8	-176.4	0	0	0	0	109.3	I275 S340 V342 L347 I377 Q382 L385	I275-V379 HydrophobicContact CB-CG2 4.34Å; I275-V379 WeakPolarHBondContact O-CA 3.33Å; S340-V379 PolarHBondContact N-O 3.45Å; S340-V379 PolarHBondContact O-N 2.86Å; S340-V379 PolarHBondContact OG-O 2.94Å; V342-V379 HydrophobicContact CG1-CG2 4.35Å; V342-V379 HydrophobicContact CG2-CG2 3.47Å; V342-V379 VanDerWaalsContact CG2-CG2 3.47Å; L347-V379 HydrophobicContact CD1-CG2 3.76Å; I377-V379 HydrophobicContact CG2-CG2 4.18Å; V379-Q382 HydrophobicContact CB-CG 4.05Å; V379-Q382 HydrophobicContact CG1-CB 4.46Å; V379-Q382 HydrophobicContact CG1-CG 3.73Å; V379-L385 HydrophobicContact CG1-CD2 3.72Å
380	H	93.6	Very high	92.5	Very high	47 Å²	47	56.8 Å²	56.8	22%	0.218	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	140.1	171.7	-62.2	-104.9	0	0	0	110.3	D274 I275 S338 Q382	D274-H380 IonicContact OD1-CD2 3.62Å; D274-H380 PolarHBondContact OD1-CD2 3.02Å; D274-H380 IonicContact OD1-NE2 3.09Å; D274-H380 PolarHBondContact OD1-NE2 3.07Å; D274-H380 IonicContact OD2-CD2 3.4Å; D274-H380 IonicContact OD2-CE1 2.72Å; D274-H380 IonicContact OD2-NE2 2.67Å; D274-H380 PolarHBondContact OD2-NE2 3.24Å; I275-H380 PolarHBondContact O-N 2.8Å; S338-H380 CarbonylContact O-C 3.55Å; S338-H380 VanDerWaalsContact O-CA 3.32Å; S338-H380 WeakPolarHBondContact O-CA 3.18Å; H380-Q382 PolarHBondContact O-N 3.02Å
381	D	93.2	Very high	93.2	Very high	18 Å²	18	50.4 Å²	50.4	10%	0.096	25%	0.249	C	C	.	.	S	Bend	trans	49.4	52.1	173.4	-66.5	-50.3	0	0	0	113.5	L277 S336 G337 S338 D383 S384 L385	L277-D381 HydrophobicContact CD1-CB 4.35Å; S336-D381 WeakPolarHBondContact CA-OD1 3.5Å; S336-D381 WeakPolarHBondContact CB-OD1 3.37Å; S336-D381 PolarHBondContact N-OD1 2.66Å; S336-D381 PolarHBondContact OG-OD1 3Å; G337-D381 PolarHBondContact N-OD1 2.06Å; S338-D381 PolarHBondContact N-OD1 2.74Å; S338-D381 PolarHBondContact O-N 3.46Å; D381-D383 PolarHBondContact O-N 3.19Å; D381-S384 WeakPolarHBondContact O-CA 3.44Å; D381-S384 WeakPolarHBondContact O-CB 3.08Å; D381-S384 PolarHBondContact O-N 2.95Å; D381-L385 PolarHBondContact O-N 3.43Å
382	Q	94.1	Very high	93.8	Very high	38 Å²	38	46.8 Å²	46.8	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-47.8	-41.9	-174.6	-66.2	-166.4	-0.6	0	0	113.8	S340 I350 V379 H380 L385 R386	S340-Q382 VanDerWaalsContact CB-NE2 3.33Å; S340-Q382 VanDerWaalsContact OG-CD 3.26Å; S340-Q382 VanDerWaalsContact OG-CG 3.27Å; S340-Q382 WeakPolarHBondContact OG-CG 3.19Å; S340-Q382 PolarHBondContact OG-NE2 3.44Å; I350-Q382 HydrophobicContact CD1-CB 4.4Å; I350-Q382 HydrophobicContact CD1-CG 4.07Å; V379-Q382 HydrophobicContact CB-CG 4.05Å; V379-Q382 HydrophobicContact CG1-CB 4.46Å; V379-Q382 HydrophobicContact CG1-CG 3.73Å; H380-Q382 PolarHBondContact O-N 3.02Å; Q382-L385 PolarHBondContact O-N 2.9Å; Q382-R386 WeakPolarHBondContact O-CB 3.27Å; Q382-R386 PolarHBondContact O-N 3.31Å
383	D	93.4	Very high	94.2	Very high	103 Å²	103	46.8 Å²	46.8	55%	0.551	23%	0.23	S	C	*	.	H	α-helix	trans	-67.2	-38.5	-179.1	-73	-28.3	0	0	0	112.1	D381 K387	D381-D383 PolarHBondContact O-N 3.19Å; D383-K387 VanDerWaalsContact O-CG 3.29Å; D383-K387 WeakPolarHBondContact O-CG 3.34Å; D383-K387 PolarHBondContact O-N 3.01Å; D383-K387 VanDerWaalsContact O-N 3.08Å
384	S	94.9	Very high	94.6	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-68.4	-43.1	174	-70.4	0	0	0	0	110.5	Q334 D381 R386 K387 V388	Q334-S384 PolarHBondContact N-OG 3.09Å; Q334-S384 PolarHBondContact O-OG 3.45Å; D381-S384 WeakPolarHBondContact O-CA 3.44Å; D381-S384 WeakPolarHBondContact O-CB 3.08Å; D381-S384 PolarHBondContact O-N 2.95Å; S384-R386 VanDerWaalsContact C-N 3.31Å; S384-R386 PolarHBondContact O-N 3.46Å; S384-K387 PolarHBondContact O-N 3.04Å; S384-V388 VanDerWaalsContact O-CG2 3.31Å; S384-V388 WeakPolarHBondContact O-CG2 3.33Å; S384-V388 PolarHBondContact O-N 3.17Å
385	L	95.6	Very high	95	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-43.1	176.6	-178.5	62.3	0	0	0	111.4	L260 F261 I275 L277 I350 V379 D381 Q382 V388 C389	L260-L385 HydrophobicContact CD2-CD1 4.01Å; F261-L385 HydrophobicContact CB-CD1 4.12Å; I275-L385 HydrophobicContact CG2-CD2 4Å; L277-L385 HydrophobicContact CD2-CB 4.31Å; I350-L385 HydrophobicContact CG2-CB 4.38Å; I350-L385 HydrophobicContact CG2-CD2 3.94Å; I350-L385 HydrophobicContact CG2-CG 4.09Å; V379-L385 HydrophobicContact CG1-CD2 3.72Å; D381-L385 PolarHBondContact O-N 3.43Å; Q382-L385 PolarHBondContact O-N 2.9Å; L385-V388 PolarHBondContact O-N 2.89Å; L385-C389 WeakPolarHBondContact O-CB 3.23Å; L385-C389 PolarHBondContact O-N 3.4Å
386	R	96.3	Very high	95.1	Very high	88 Å²	88	37.6 Å²	37.6	33%	0.332	19%	0.192	S	C	.	.	H	α-helix	trans	-60.3	-51.5	175	-174.3	178.4	-64.7	147.2	10.1	111.6	I350 Q382 S384 V388 C389 D390	I350-R386 HydrophobicContact CG2-CB 4.38Å; Q382-R386 WeakPolarHBondContact O-CB 3.27Å; Q382-R386 PolarHBondContact O-N 3.31Å; S384-R386 VanDerWaalsContact C-N 3.31Å; S384-R386 PolarHBondContact O-N 3.46Å; R386-V388 VanDerWaalsContact C-N 3.29Å; R386-V388 PolarHBondContact O-N 3.03Å; R386-C389 CarbonylContact O-C 3.57Å; R386-C389 WeakPolarHBondContact O-CA 3.44Å; R386-C389 WeakPolarHBondContact O-CB 3.43Å; R386-C389 PolarHBondContact O-N 3.05Å; R386-D390 VanDerWaalsContact O-CG 3.3Å; R386-D390 PolarHBondContact O-N 3.28Å
387	K	96.6	Very high	95.1	Very high	83 Å²	83	40.3 Å²	40.3	36%	0.361	21%	0.205	S	C	.	.	H	α-helix	trans	-58.7	-41.1	179.1	-69.8	169	-175.4	171.9	0	112.2	A332 D383 S384 D390 I391	A332-K387 HydrophobicContact CB-CB 4.05Å; D383-K387 VanDerWaalsContact O-CG 3.29Å; D383-K387 WeakPolarHBondContact O-CG 3.34Å; D383-K387 PolarHBondContact O-N 3.01Å; D383-K387 VanDerWaalsContact O-N 3.08Å; S384-K387 PolarHBondContact O-N 3.04Å; K387-D390 PolarHBondContact O-N 3.18Å; K387-I391 WeakPolarHBondContact O-CG1 3.47Å; K387-I391 PolarHBondContact O-N 2.89Å; K387-I391 VanDerWaalsContact O-N 3.12Å
388	V	96.8	Very high	94.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-65.7	-41.3	176.2	173.3	0	0	0	0	110.5	L260 L277 I329 A332 I333 S384 L385 R386 I391 H392	L260-V388 HydrophobicContact CG-CG1 4.29Å; L277-V388 HydrophobicContact CD2-CG2 4.34Å; I329-V388 HydrophobicContact CG2-CG1 3.89Å; I329-V388 HydrophobicContact CG2-CG2 4.05Å; A332-V388 HydrophobicContact CB-CG2 4.42Å; I333-V388 HydrophobicContact CG1-CG2 3.86Å; S384-V388 VanDerWaalsContact O-CG2 3.31Å; S384-V388 WeakPolarHBondContact O-CG2 3.33Å; S384-V388 PolarHBondContact O-N 3.17Å; L385-V388 PolarHBondContact O-N 2.89Å; R386-V388 VanDerWaalsContact C-N 3.29Å; R386-V388 PolarHBondContact O-N 3.03Å; V388-I391 PolarHBondContact O-N 3.44Å; V388-H392 PolarHBondContact O-N 3.3Å; V388-H392 VanDerWaalsContact O-N 3.15Å; V388-H392 PolarHBondContact O-ND1 2.83Å
389	C	97.2	Very high	94.5	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.007	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-43	174.1	-167.6	0	0	0	0	111.9	C351 L353 L385 R386 I391 H392 A393	C351-C389 WeakPolarHBondContact CA-SG 3.43Å; C351-C389 HydrophobicContact CB-CB 3.64Å; C351-C389 WeakPolarHBondContact CB-SG 3.41Å; C351-C389 WeakPolarHBondContact SG-CB 3.18Å; C351-C389 CovalentContact SG-SG 2.04Å; C351-C389 PolarHBondContact SG-SG 3.07Å; L353-C389 VanDerWaalsContact CD1-O 3.29Å; L353-C389 WeakPolarHBondContact CD1-O 3.46Å; L385-C389 WeakPolarHBondContact O-CB 3.23Å; L385-C389 PolarHBondContact O-N 3.4Å; R386-C389 CarbonylContact O-C 3.57Å; R386-C389 WeakPolarHBondContact O-CA 3.44Å; R386-C389 WeakPolarHBondContact O-CB 3.43Å; R386-C389 PolarHBondContact O-N 3.05Å; C389-I391 VanDerWaalsContact C-N 3.31Å; C389-I391 PolarHBondContact O-N 3.37Å; C389-H392 CarbonylContact O-C 3.57Å; C389-H392 WeakPolarHBondContact O-CB 3.24Å; C389-H392 PolarHBondContact O-N 3.15Å; C389-H392 VanDerWaalsContact O-N 3.08Å; C389-A393 PolarHBondContact O-N 3.42Å
390	D	97	Very high	94.2	Very high	87 Å²	87	50.3 Å²	50.3	47%	0.465	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-40.8	176.8	-66	-26.2	0	0	0	111.8	R386 K387 H392 A393 T394	R386-D390 VanDerWaalsContact O-CG 3.3Å; R386-D390 PolarHBondContact O-N 3.28Å; K387-D390 PolarHBondContact O-N 3.18Å; D390-H392 VanDerWaalsContact C-N 3.34Å; D390-H392 PolarHBondContact O-N 3.49Å; D390-A393 WeakPolarHBondContact O-CB 3.19Å; D390-A393 PolarHBondContact O-N 2.97Å; D390-A393 VanDerWaalsContact O-N 3.12Å; D390-T394 PolarHBondContact O-N 2.92Å; D390-T394 PolarHBondContact O-OG1 2.96Å
391	I	97	Very high	94.1	Very high	35 Å²	35	48.3 Å²	48.3	18%	0.179	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-42.5	174.8	-69.1	166.1	0	0	0	111.2	L325 Q328 I329 A332 K387 V388 C389 A393 T394 A395	L325-I391 HydrophobicContact CD1-CG2 3.59Å; Q328-I391 HydrophobicContact CB-CD1 4.3Å; Q328-I391 HydrophobicContact CB-CG2 4.31Å; I329-I391 HydrophobicContact CG1-CG2 3.93Å; A332-I391 HydrophobicContact CB-CD1 3.53Å; K387-I391 WeakPolarHBondContact O-CG1 3.47Å; K387-I391 PolarHBondContact O-N 2.89Å; K387-I391 VanDerWaalsContact O-N 3.12Å; V388-I391 PolarHBondContact O-N 3.44Å; C389-I391 VanDerWaalsContact C-N 3.31Å; C389-I391 PolarHBondContact O-N 3.37Å; I391-A393 VanDerWaalsContact C-N 3.29Å; I391-A393 PolarHBondContact O-N 3.16Å; I391-T394 PolarHBondContact O-N 2.95Å; I391-A395 PolarHBondContact O-N 3.12Å
392	H	96.2	Very high	93.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-33.4	175.1	-72.2	74.8	0	0	0	111.5	L244 L260 L353 V388 C389 D390 A395 M396 L405	L244-H392 HydrophobicContact CD1-CB 4.22Å; L260-H392 HydrophobicContact CD1-CB 3.9Å; L353-H392 HydrophobicContact CD1-CB 3.66Å; V388-H392 PolarHBondContact O-N 3.3Å; V388-H392 VanDerWaalsContact O-N 3.15Å; V388-H392 PolarHBondContact O-ND1 2.83Å; C389-H392 CarbonylContact O-C 3.57Å; C389-H392 WeakPolarHBondContact O-CB 3.24Å; C389-H392 PolarHBondContact O-N 3.15Å; C389-H392 VanDerWaalsContact O-N 3.08Å; D390-H392 VanDerWaalsContact C-N 3.34Å; D390-H392 PolarHBondContact O-N 3.49Å; H392-A395 PolarHBondContact O-N 3.21Å; H392-M396 WeakPolarHBondContact O-CG 3.43Å; H392-M396 PolarHBondContact O-N 3.45Å; H392-L405 WeakPolarHBondContact CD2-CD2 3.4Å
393	A	95.6	Very high	93.7	Very high	28 Å²	28	47.5 Å²	47.5	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-47.3	177.5	0	0	0	0	0	110.2	L353 C389 D390 I391 A395 M396 E397	L353-A393 HydrophobicContact CD1-CB 3.82Å; L353-A393 VanDerWaalsContact CD1-N 3.27Å; L353-A393 HydrophobicContact CD2-CB 3.9Å; L353-A393 HydrophobicContact CG-CB 4.17Å; C389-A393 PolarHBondContact O-N 3.42Å; D390-A393 WeakPolarHBondContact O-CB 3.19Å; D390-A393 PolarHBondContact O-N 2.97Å; D390-A393 VanDerWaalsContact O-N 3.12Å; I391-A393 VanDerWaalsContact C-N 3.29Å; I391-A393 PolarHBondContact O-N 3.16Å; A393-A395 VanDerWaalsContact C-N 3.29Å; A393-A395 PolarHBondContact O-N 3.09Å; A393-M396 WeakPolarHBondContact O-CB 3.04Å; A393-M396 PolarHBondContact O-N 3.42Å; A393-E397 PolarHBondContact O-N 3.07Å
394	T	95.9	Very high	93.6	Very high	89 Å²	89	43.6 Å²	43.6	55%	0.546	23%	0.228	S	C	.	.	H	α-helix	trans	-60.2	-39.2	174.6	-55.4	0	0	0	0	111.9	D390 I391 M396 E397	D390-T394 PolarHBondContact O-N 2.92Å; D390-T394 PolarHBondContact O-OG1 2.96Å; I391-T394 PolarHBondContact O-N 2.95Å; T394-M396 VanDerWaalsContact C-N 3.32Å; T394-M396 PolarHBondContact O-N 3.32Å; T394-E397 PolarHBondContact O-N 3.44Å
395	A	94.1	Very high	93.6	Very high	11 Å²	11	43.5 Å²	43.5	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-33.7	175.2	0	0	0	0	0	112.4	L325 I391 H392 A393 E397 G401 R402 L405	L325-A395 HydrophobicContact CD1-CB 4.38Å; I391-A395 PolarHBondContact O-N 3.12Å; H392-A395 PolarHBondContact O-N 3.21Å; A393-A395 VanDerWaalsContact C-N 3.29Å; A393-A395 PolarHBondContact O-N 3.09Å; A395-E397 VanDerWaalsContact C-N 3.3Å; A395-E397 PolarHBondContact O-N 3.14Å; A395-G401 CarbonylContact O-C 3.09Å; A395-G401 WeakPolarHBondContact O-CA 3.48Å; A395-R402 PolarHBondContact O-N 3.43Å; A395-L405 HydrophobicContact CB-CD1 3.74Å; A395-L405 HydrophobicContact CB-CD2 4.34Å; A395-L405 HydrophobicContact CB-CG 3.96Å
396	M	92.1	Very high	93.4	Very high	40 Å²	40	43.5 Å²	43.5	20%	0.197	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-32.3	176.9	-74	-101.6	-65.1	0	0	113.3	F242 L244 L353 H392 A393 T394 T398 R402 L405	F242-M396 HydrophobicContact CD1-SD 3.62Å; F242-M396 HydrophobicContact CE1-SD 3.8Å; L244-M396 HydrophobicContact CD1-CG 3.83Å; L244-M396 HydrophobicContact CD1-SD 3.74Å; L244-M396 HydrophobicContact CD2-SD 4.48Å; L244-M396 HydrophobicContact CG-CG 4.35Å; L244-M396 HydrophobicContact CG-SD 3.62Å; L353-M396 HydrophobicContact CD2-CE 4.24Å; L353-M396 HydrophobicContact CD2-CG 4.49Å; H392-M396 WeakPolarHBondContact O-CG 3.43Å; H392-M396 PolarHBondContact O-N 3.45Å; A393-M396 WeakPolarHBondContact O-CB 3.04Å; A393-M396 PolarHBondContact O-N 3.42Å; T394-M396 VanDerWaalsContact C-N 3.32Å; T394-M396 PolarHBondContact O-N 3.32Å; M396-T398 PolarHBondContact O-N 3.13Å; M396-T398 VanDerWaalsContact O-N 3.08Å; M396-R402 WeakPolarHBondContact O-CD 3.34Å; M396-R402 WeakPolarHBondContact O-CG 3.48Å; M396-R402 PolarHBondContact O-NE 3.43Å; M396-L405 HydrophobicContact CG-CD1 3.92Å
397	E	91.1	Very high	93.2	Very high	146 Å²	146	39.3 Å²	39.3	68%	0.682	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.5	-175.4	-68.5	173.3	-176.4	0	0	114.3	A393 T394 A395	A393-E397 PolarHBondContact O-N 3.07Å; T394-E397 PolarHBondContact O-N 3.44Å; A395-E397 VanDerWaalsContact C-N 3.3Å; A395-E397 PolarHBondContact O-N 3.14Å
398	T	91.1	Very high	93.1	Very high	70 Å²	70	35.3 Å²	35.3	43%	0.429	19%	0.194	S	C	.	.	S	Bend	trans	-121.2	150.4	-177.8	70.6	0	0	0	0	111.6	M396 N400 G401 R402	M396-T398 PolarHBondContact O-N 3.13Å; M396-T398 VanDerWaalsContact O-N 3.08Å; T398-N400 PolarHBondContact O-N 3.28Å; T398-G401 PolarHBondContact O-N 3.13Å; T398-G401 PolarHBondContact OG1-N 2.86Å; T398-R402 PolarHBondContact O-N 2.76Å; T398-R402 PolarHBondContact O-NE 3.22Å
399	N	87	Confident	93	Very high	71 Å²	71	35.3 Å²	35.3	38%	0.38	19%	0.194	S	C	.	.	H	α-helix	trans	-59.5	-38.7	173.4	-171.8	2.5	0	0	0	111.4	K403	N399-K403 VanDerWaalsContact O-CD 3.31Å; N399-K403 WeakPolarHBondContact O-CD 3.4Å; N399-K403 VanDerWaalsContact O-CG 3.24Å; N399-K403 WeakPolarHBondContact O-CG 3.17Å; N399-K403 PolarHBondContact O-N 2.84Å; N399-K403 VanDerWaalsContact OD1-CE 3.26Å; N399-K403 WeakPolarHBondContact OD1-CE 3.37Å
400	N	88.5	Confident	92.9	Very high	97 Å²	97	35.2 Å²	35.2	52%	0.519	19%	0.193	S	C	.	.	H	α-helix	trans	-67.6	-42	177.4	-74.8	-9.2	0	0	0	112.6	T398 R402 K403 N404	T398-N400 PolarHBondContact O-N 3.28Å; N400-R402 PolarHBondContact O-N 3.38Å; N400-K403 WeakPolarHBondContact O-CB 3.32Å; N400-K403 PolarHBondContact O-N 3.04Å; N400-N404 PolarHBondContact O-N 3.01Å; N400-N404 PolarHBondContact O-ND2 2.04Å; N400-N404 PolarHBondContact O-OD1 3.49Å
401	G	91.7	Very high	92.7	Very high	6 Å²	6	31.1 Å²	31.1	6%	0.062	17%	0.171	C	C	.	.	H	α-helix	trans	-65.8	-37.7	176.7	0	0	0	0	0	112.6	A395 T398 K403 N404 L405	A395-G401 CarbonylContact O-C 3.09Å; A395-G401 WeakPolarHBondContact O-CA 3.48Å; T398-G401 PolarHBondContact O-N 3.13Å; T398-G401 PolarHBondContact OG1-N 2.86Å; G401-K403 PolarHBondContact O-N 2.94Å; G401-N404 WeakPolarHBondContact O-CB 3.47Å; G401-N404 PolarHBondContact O-N 3.02Å; G401-N404 VanDerWaalsContact O-N 3.11Å; G401-L405 WeakPolarHBondContact O-CG 3.44Å; G401-L405 PolarHBondContact O-N 3.15Å
402	R	90.6	Very high	92.7	Very high	9 Å²	9	30 Å²	30	3%	0.034	17%	0.166	C	C	.	.	H	α-helix	trans	-62.7	-39.8	171.5	-72.9	177.7	-74.3	172.8	-9.4	113.4	L237 N238 D239 F242 A395 M396 T398 N400 N404 L405 H406	L237-R402 VanDerWaalsContact C-NH1 3.35Å; L237-R402 HydrophobicContact CD2-CB 4.5Å; L237-R402 VanDerWaalsContact O-CZ 3.31Å; L237-R402 PolarHBondContact O-NH1 3.26Å; N238-R402 PolarHBondContact O-NH1 3.24Å; D239-R402 IonicContact OD1-CZ 3.77Å; D239-R402 IonicContact OD1-NE 2.81Å; D239-R402 PolarHBondContact OD1-NE 2.69Å; D239-R402 IonicContact OD1-NH1 3.51Å; D239-R402 PolarHBondContact OD1-NH1 2.9Å; D239-R402 IonicContact OD1-NH2 3.94Å; D239-R402 PolarHBondContact OD1-NH2 2.91Å; D239-R402 IonicContact OD2-CZ 2.63Å; D239-R402 IonicContact OD2-NH1 2.76Å; D239-R402 PolarHBondContact OD2-NH1 3.1Å; D239-R402 IonicContact OD2-NH2 3.84Å; D239-R402 PolarHBondContact OD2-NH2 3.41Å; F242-R402 HydrophobicContact CD1-CB 4.23Å; F242-R402 HydrophobicContact CD1-CG 3.68Å; F242-R402 HydrophobicContact CE1-CB 3.99Å; F242-R402 HydrophobicContact CE1-CG 3.73Å; F242-R402 HydrophobicContact CE2-CB 4.5Å; F242-R402 HydrophobicContact CG-CG 4.29Å; F242-R402 HydrophobicContact CZ-CB 4.08Å; F242-R402 HydrophobicContact CZ-CG 4.34Å; A395-R402 PolarHBondContact O-N 3.43Å; M396-R402 WeakPolarHBondContact O-CD 3.34Å; M396-R402 WeakPolarHBondContact O-CG 3.48Å; M396-R402 PolarHBondContact O-NE 3.43Å; T398-R402 PolarHBondContact O-N 2.76Å; T398-R402 PolarHBondContact O-NE 3.22Å; N400-R402 PolarHBondContact O-N 3.38Å; R402-N404 VanDerWaalsContact C-N 3.3Å; R402-N404 PolarHBondContact O-N 3.04Å; R402-L405 PolarHBondContact O-N 3.32Å; R402-H406 WeakPolarHBondContact O-CB 3.2Å; R402-H406 PolarHBondContact O-N 3.18Å
403	K	89.3	Confident	92.6	Very high	30 Å²	30	30 Å²	30	13%	0.13	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-39.4	171.5	-72.4	159.2	172.3	-175.6	0	112	Y220 L237 N399 N400 G401 A407	Y220-K403 HydrophobicContact CD1-CB 3.67Å; Y220-K403 HydrophobicContact CD1-CD 4.35Å; Y220-K403 HydrophobicContact CD1-CG 3.83Å; Y220-K403 HydrophobicContact CD2-CG 4.1Å; Y220-K403 HydrophobicContact CE1-CB 3.55Å; Y220-K403 HydrophobicContact CE1-CD 3.58Å; Y220-K403 HydrophobicContact CE1-CG 3.56Å; Y220-K403 HydrophobicContact CE2-CD 3.83Å; Y220-K403 HydrophobicContact CE2-CG 3.88Å; Y220-K403 HydrophobicContact CG-CB 4.32Å; Y220-K403 HydrophobicContact CG-CG 4.1Å; Y220-K403 VanDerWaalsContact CZ-CE 3.41Å; Y220-K403 VanDerWaalsContact OH-CD 3.29Å; Y220-K403 WeakPolarHBondContact OH-CD 3.41Å; Y220-K403 VanDerWaalsContact OH-CE 3.24Å; Y220-K403 WeakPolarHBondContact OH-CE 3.22Å; Y220-K403 PolarHBondContact OH-NZ 3.15Å; Y220-K403 VanDerWaalsContact OH-NZ 3.11Å; L237-K403 HydrophobicContact CD1-CD 4.33Å; L237-K403 HydrophobicContact CD1-CG 3.86Å; L237-K403 HydrophobicContact CD2-CG 3.86Å; N399-K403 VanDerWaalsContact O-CD 3.31Å; N399-K403 WeakPolarHBondContact O-CD 3.4Å; N399-K403 VanDerWaalsContact O-CG 3.24Å; N399-K403 WeakPolarHBondContact O-CG 3.17Å; N399-K403 PolarHBondContact O-N 2.84Å; N399-K403 VanDerWaalsContact OD1-CE 3.26Å; N399-K403 WeakPolarHBondContact OD1-CE 3.37Å; N400-K403 WeakPolarHBondContact O-CB 3.32Å; N400-K403 PolarHBondContact O-N 3.04Å; G401-K403 PolarHBondContact O-N 2.94Å; K403-A407 VanDerWaalsContact O-CB 3.3Å; K403-A407 WeakPolarHBondContact O-CB 3.27Å; K403-A407 PolarHBondContact O-N 3.28Å
404	N	92.1	Very high	92.6	Very high	20 Å²	20	28.7 Å²	28.7	11%	0.107	16%	0.155	C	C	.	.	H	α-helix	trans	-67.9	-42.1	177.2	-63.8	-15.3	0	0	0	111.1	D321 V322 L325 N400 G401 R402 A407 M408	D321-N404 VanDerWaalsContact CB-ND2 3.33Å; D321-N404 WeakPolarHBondContact CB-ND2 3.28Å; V322-N404 HydrophobicContact CG2-CB 4.12Å; L325-N404 HydrophobicContact CD2-CB 4.33Å; N400-N404 PolarHBondContact O-N 3.01Å; N400-N404 PolarHBondContact O-ND2 2.04Å; N400-N404 PolarHBondContact O-OD1 3.49Å; G401-N404 WeakPolarHBondContact O-CB 3.47Å; G401-N404 PolarHBondContact O-N 3.02Å; G401-N404 VanDerWaalsContact O-N 3.11Å; R402-N404 VanDerWaalsContact C-N 3.3Å; R402-N404 PolarHBondContact O-N 3.04Å; N404-A407 PolarHBondContact O-N 3.47Å; N404-M408 VanDerWaalsContact O-CB 3.24Å; N404-M408 WeakPolarHBondContact O-CB 3.22Å; N404-M408 PolarHBondContact O-N 3.49Å
405	L	93.7	Very high	92.4	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-43.2	174.7	-71.5	167.7	0	0	0	112.1	L244 L325 H392 A395 M396 G401 R402 M408 T409	L244-L405 HydrophobicContact CD2-CB 4.48Å; L244-L405 HydrophobicContact CD2-CD1 4.22Å; L325-L405 HydrophobicContact CD2-CD2 3.94Å; L325-L405 HydrophobicContact CD2-CG 4.37Å; H392-L405 WeakPolarHBondContact CD2-CD2 3.4Å; A395-L405 HydrophobicContact CB-CD1 3.74Å; A395-L405 HydrophobicContact CB-CD2 4.34Å; A395-L405 HydrophobicContact CB-CG 3.96Å; M396-L405 HydrophobicContact CG-CD1 3.92Å; G401-L405 WeakPolarHBondContact O-CG 3.44Å; G401-L405 PolarHBondContact O-N 3.15Å; R402-L405 PolarHBondContact O-N 3.32Å; L405-M408 PolarHBondContact O-N 3.29Å; L405-T409 WeakPolarHBondContact O-CB 3.33Å; L405-T409 PolarHBondContact O-N 3.06Å; L405-T409 PolarHBondContact O-OG1 3.2Å
406	H	92.3	Very high	92.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.6	-48.1	174.3	-173.4	-74.4	0	0	0	111.7	F216 G218 R402 M408 T409 T410	F216-H406 PolarHBondContact O-NE2 3.14Å; G218-H406 PolarHBondContact O-CE1 2.8Å; G218-H406 PolarHBondContact O-NE2 2.78Å; R402-H406 WeakPolarHBondContact O-CB 3.2Å; R402-H406 PolarHBondContact O-N 3.18Å; H406-M408 PolarHBondContact O-N 2.9Å; H406-T409 PolarHBondContact O-N 3.41Å; H406-T410 WeakPolarHBondContact O-CG2 3.41Å; H406-T410 PolarHBondContact O-N 3.02Å; H406-T410 PolarHBondContact O-OG1 3.14Å
407	A	92.1	Very high	92.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-44.7	176	0	0	0	0	0	111.8	L221 I318 V322 K403 N404 T409 T410 I411	L221-A407 HydrophobicContact CD1-CB 4.09Å; L221-A407 HydrophobicContact CD2-CB 3.91Å; L221-A407 HydrophobicContact CG-CB 3.96Å; I318-A407 HydrophobicContact CG2-CB 4Å; V322-A407 HydrophobicContact CG2-CB 3.78Å; K403-A407 VanDerWaalsContact O-CB 3.3Å; K403-A407 WeakPolarHBondContact O-CB 3.27Å; K403-A407 PolarHBondContact O-N 3.28Å; N404-A407 PolarHBondContact O-N 3.47Å; A407-T409 VanDerWaalsContact C-N 3.35Å; A407-T409 PolarHBondContact O-N 3.49Å; A407-T410 WeakPolarHBondContact CA-OG1 3.42Å; A407-T410 PolarHBondContact O-N 3.26Å; A407-T410 PolarHBondContact O-OG1 3.34Å; A407-I411 WeakPolarHBondContact O-CB 3.15Å; A407-I411 WeakPolarHBondContact O-CD1 3.4Å; A407-I411 WeakPolarHBondContact O-CG1 3.09Å; A407-I411 PolarHBondContact O-N 3.48Å
408	M	94.3	Very high	92	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.9	-45.6	178.7	-165	-178.3	-177	0	0	111.2	T259 L280 F283 V322 L325 H326 I329 N404 L405 H406 I411 S412	T259-M408 HydrophobicContact CG2-CE 3.73Å; T259-M408 HydrophobicContact CG2-CG 4.06Å; T259-M408 HydrophobicContact CG2-SD 4.17Å; L280-M408 HydrophobicContact CD2-CE 3.9Å; F283-M408 HydrophobicContact CD2-CE 3.95Å; F283-M408 HydrophobicContact CE1-CG 4.37Å; F283-M408 HydrophobicContact CE2-CE 3.61Å; F283-M408 HydrophobicContact CE2-CG 3.55Å; F283-M408 HydrophobicContact CE2-SD 4.47Å; F283-M408 HydrophobicContact CZ-CB 4.25Å; F283-M408 HydrophobicContact CZ-CE 4.27Å; F283-M408 HydrophobicContact CZ-CG 3.38Å; V322-M408 HydrophobicContact CG1-CB 3.97Å; V322-M408 HydrophobicContact CG1-CG 4.05Å; L325-M408 HydrophobicContact CD2-SD 4.11Å; L325-M408 HydrophobicContact CG-SD 4.37Å; H326-M408 HydrophobicContact CB-CE 4.1Å; I329-M408 HydrophobicContact CD1-CE 3.83Å; I329-M408 HydrophobicContact CD1-SD 4.02Å; N404-M408 VanDerWaalsContact O-CB 3.24Å; N404-M408 WeakPolarHBondContact O-CB 3.22Å; N404-M408 PolarHBondContact O-N 3.49Å; L405-M408 PolarHBondContact O-N 3.29Å; H406-M408 PolarHBondContact O-N 2.9Å; M408-I411 PolarHBondContact O-N 3.49Å; M408-S412 PolarHBondContact O-N 2.94Å; M408-S412 PolarHBondContact O-OG 2.65Å
409	T	95.1	Very high	91.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-46.6	178.5	-52.5	0	0	0	0	111.8	F216 L247 F248 L251 L405 H406 A407 I411 S412 F413	F216-T409 HydrophobicContact CD1-CG2 4.1Å; F216-T409 HydrophobicContact CE1-CG2 3.55Å; F216-T409 HydrophobicContact CZ-CG2 4.37Å; L247-T409 WeakPolarHBondContact CD2-OG1 3.41Å; L247-T409 HydrophobicContact CG-CG2 4.12Å; F248-T409 HydrophobicContact CD1-CG2 4.01Å; F248-T409 HydrophobicContact CE1-CG2 4.42Å; F248-T409 WeakPolarHBondContact CE1-OG1 3.45Å; L251-T409 HydrophobicContact CB-CG2 4.22Å; L251-T409 HydrophobicContact CD2-CG2 3.84Å; L405-T409 WeakPolarHBondContact O-CB 3.33Å; L405-T409 PolarHBondContact O-N 3.06Å; L405-T409 PolarHBondContact O-OG1 3.2Å; H406-T409 PolarHBondContact O-N 3.41Å; A407-T409 VanDerWaalsContact C-N 3.35Å; A407-T409 PolarHBondContact O-N 3.49Å; T409-I411 PolarHBondContact O-N 3.11Å; T409-S412 PolarHBondContact O-N 3.18Å; T409-F413 WeakPolarHBondContact O-CB 3.46Å; T409-F413 PolarHBondContact O-N 2.86Å
410	T	93.7	Very high	91.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.8	-34.2	-179.6	52.1	0	0	0	0	112.6	I212 F216 H406 A407 F413 L414	I212-T410 HydrophobicContact CG2-CG2 3.66Å; F216-T410 HydrophobicContact CB-CG2 4.07Å; F216-T410 HydrophobicContact CD1-CG2 4.39Å; F216-T410 HydrophobicContact CD2-CG2 3.94Å; F216-T410 HydrophobicContact CG-CG2 3.86Å; H406-T410 WeakPolarHBondContact O-CG2 3.41Å; H406-T410 PolarHBondContact O-N 3.02Å; H406-T410 PolarHBondContact O-OG1 3.14Å; A407-T410 WeakPolarHBondContact CA-OG1 3.42Å; A407-T410 PolarHBondContact O-N 3.26Å; A407-T410 PolarHBondContact O-OG1 3.34Å; T410-F413 PolarHBondContact O-N 3.47Å; T410-L414 VanDerWaalsContact O-CG 3.31Å; T410-L414 WeakPolarHBondContact O-CG 3.43Å; T410-L414 PolarHBondContact O-N 3.18Å
411	I	94.2	Very high	91.2	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-64.6	-47.1	172.7	-68.4	168.1	0	0	0	110.8	L221 F283 L302 L306 V322 A407 M408 T409 F413 L414 F415	L221-I411 HydrophobicContact CD1-CD1 4.04Å; L221-I411 HydrophobicContact CD1-CG1 3.95Å; F283-I411 HydrophobicContact CE1-CB 4.36Å; F283-I411 HydrophobicContact CE1-CD1 4.28Å; F283-I411 HydrophobicContact CE1-CG2 3.82Å; F283-I411 HydrophobicContact CZ-CB 4.13Å; F283-I411 HydrophobicContact CZ-CG2 3.88Å; L302-I411 HydrophobicContact CD1-CG2 3.98Å; L302-I411 HydrophobicContact CD2-CD1 4.26Å; L306-I411 HydrophobicContact CD1-CD1 3.75Å; L306-I411 HydrophobicContact CD1-CG1 3.73Å; L306-I411 HydrophobicContact CD2-CG1 4.23Å; V322-I411 HydrophobicContact CG1-CD1 4.33Å; A407-I411 WeakPolarHBondContact O-CB 3.15Å; A407-I411 WeakPolarHBondContact O-CD1 3.4Å; A407-I411 WeakPolarHBondContact O-CG1 3.09Å; A407-I411 PolarHBondContact O-N 3.48Å; M408-I411 PolarHBondContact O-N 3.49Å; T409-I411 PolarHBondContact O-N 3.11Å; I411-F413 VanDerWaalsContact C-N 3.29Å; I411-F413 PolarHBondContact O-N 2.96Å; I411-L414 PolarHBondContact O-N 3.18Å; I411-F415 PolarHBondContact O-N 2.81Å
412	S	95.4	Very high	90.8	Very high	10 Å²	10	12.1 Å²	12.1	7%	0.07	6%	0.061	C	C	.	.	H	α-helix	trans	-60.4	-39.3	176.4	-65.3	0	0	0	0	112.3	T259 M408 T409 F415 N416	T259-S412 WeakPolarHBondContact CG2-OG 3.34Å; M408-S412 PolarHBondContact O-N 2.94Å; M408-S412 PolarHBondContact O-OG 2.65Å; T409-S412 PolarHBondContact O-N 3.18Å; S412-F415 PolarHBondContact O-N 3.29Å; S412-N416 PolarHBondContact O-N 2.86Å; S412-N416 VanDerWaalsContact O-N 3.16Å; S412-N416 PolarHBondContact O-ND2 2.86Å
413	F	95.8	Very high	90.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-44.9	175.6	-179.4	-90.1	0	0	0	112.7	L211 I212 L215 F216 L251 Q254 T409 T410 I411 N416 M417 Y539	L211-F413 HydrophobicContact CD2-CE1 3.73Å; L211-F413 HydrophobicContact CD2-CZ 4.02Å; L211-F413 HydrophobicContact CG-CE1 4.24Å; L211-F413 HydrophobicContact CG-CZ 4.4Å; I212-F413 HydrophobicContact CD1-CD1 3.52Å; I212-F413 HydrophobicContact CD1-CE1 3.83Å; L215-F413 HydrophobicContact CD1-CE1 4.18Å; L215-F413 HydrophobicContact CD1-CE2 3.7Å; L215-F413 HydrophobicContact CD1-CZ 3.33Å; F216-F413 HydrophobicContact CE2-CB 3.95Å; F216-F413 AromaticContact CE2-CD1 3.87Å; F216-F413 HydrophobicContact CE2-CD1 3.87Å; F216-F413 AromaticContact CE2-CD2 3.7Å; F216-F413 HydrophobicContact CE2-CD2 3.7Å; F216-F413 HydrophobicContact CE2-CE1 4.27Å; F216-F413 HydrophobicContact CE2-CE2 4.12Å; F216-F413 AromaticContact CE2-CG 3.55Å; F216-F413 HydrophobicContact CE2-CG 3.55Å; F216-F413 HydrophobicContact CE2-CZ 4.39Å; F216-F413 HydrophobicContact CZ-CB 3.75Å; F216-F413 HydrophobicContact CZ-CD1 4.41Å; F216-F413 AromaticContact CZ-CD2 3.52Å; F216-F413 HydrophobicContact CZ-CD2 3.52Å; F216-F413 HydrophobicContact CZ-CE2 4.2Å; F216-F413 AromaticContact CZ-CG 3.63Å; F216-F413 HydrophobicContact CZ-CG 3.63Å; L251-F413 HydrophobicContact CD1-CB 4.11Å; L251-F413 HydrophobicContact CD1-CD2 4.45Å; Q254-F413 HydrophobicContact CB-CD2 4.46Å; Q254-F413 HydrophobicContact CB-CE2 4.34Å; Q254-F413 VanDerWaalsContact CD-CD2 3.43Å; Q254-F413 HydrophobicContact CG-CD2 4.4Å; Q254-F413 HydrophobicContact CG-CE2 4.18Å; Q254-F413 PolarHBondContact NE2-O 3.12Å; T409-F413 WeakPolarHBondContact O-CB 3.46Å; T409-F413 PolarHBondContact O-N 2.86Å; T410-F413 PolarHBondContact O-N 3.47Å; I411-F413 VanDerWaalsContact C-N 3.29Å; I411-F413 PolarHBondContact O-N 2.96Å; F413-N416 PolarHBondContact O-N 3.16Å; F413-M417 HydrophobicContact CD1-SD 4.41Å; F413-M417 HydrophobicContact CE1-CE 3.59Å; F413-M417 HydrophobicContact CE1-SD 3.69Å; F413-M417 HydrophobicContact CE2-CE 4.27Å; F413-M417 HydrophobicContact CZ-CE 3.38Å; F413-M417 HydrophobicContact CZ-SD 4.15Å; F413-M417 PolarHBondContact O-N 2.68Å; F413-Y539 AromaticContact CE2-CD2 3.69Å; F413-Y539 HydrophobicContact CE2-CD2 3.69Å; F413-Y539 AromaticContact CE2-CE2 3.93Å; F413-Y539 HydrophobicContact CE2-CE2 3.93Å; F413-Y539 AromaticContact CZ-CD2 3.87Å; F413-Y539 HydrophobicContact CZ-CD2 3.87Å; F413-Y539 HydrophobicContact CZ-CE2 4.49Å
414	L	93.8	Very high	89.9	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-68	-34.6	177	-69.6	167	0	0	0	112.2	V208 I212 W219 L306 L309 T410 I411 N416 M417 K418 L421 F428	V208-L414 HydrophobicContact CG1-CD2 3.73Å; I212-L414 HydrophobicContact CD1-CD2 4.08Å; I212-L414 HydrophobicContact CD1-CG 4.18Å; I212-L414 HydrophobicContact CG1-CD2 4.47Å; W219-L414 HydrophobicContact CH2-CD1 4.15Å; W219-L414 HydrophobicContact CZ2-CD1 3.64Å; L306-L414 HydrophobicContact CD2-CD1 4.15Å; L309-L414 HydrophobicContact CD1-CD1 3.68Å; L309-L414 HydrophobicContact CD1-CD2 3.99Å; L309-L414 HydrophobicContact CD1-CG 4.4Å; T410-L414 VanDerWaalsContact O-CG 3.31Å; T410-L414 WeakPolarHBondContact O-CG 3.43Å; T410-L414 PolarHBondContact O-N 3.18Å; I411-L414 PolarHBondContact O-N 3.18Å; L414-N416 VanDerWaalsContact C-N 3.29Å; L414-N416 PolarHBondContact O-N 3.41Å; L414-M417 CarbonylContact O-C 3.51Å; L414-M417 WeakPolarHBondContact O-CA 3.18Å; L414-M417 PolarHBondContact O-N 3.44Å; L414-K418 PolarHBondContact O-N 2.61Å; L414-L421 HydrophobicContact CB-CD1 4.33Å; L414-L421 HydrophobicContact CD2-CD1 3.95Å; L414-F428 HydrophobicContact CB-CE1 4.21Å; L414-F428 HydrophobicContact CB-CZ 4.22Å
415	F	92.8	Very high	89.4	Confident	11 Å²	11	16.2 Å²	16.2	5%	0.048	7%	0.074	C	C	.	.	H	α-helix	trans	-62	-36.4	173.9	175.1	-99.4	0	0	0	112.5	E281 A282 A285 I411 S412 M417 K418 Y429	E281-F415 HydrophobicContact CB-CE1 3.66Å; E281-F415 HydrophobicContact CB-CZ 4.05Å; A282-F415 HydrophobicContact CB-CB 3.49Å; A282-F415 VanDerWaalsContact CB-CB 3.49Å; A282-F415 HydrophobicContact CB-CD1 3.82Å; A282-F415 HydrophobicContact CB-CD2 4.13Å; A282-F415 HydrophobicContact CB-CG 3.54Å; A285-F415 HydrophobicContact CB-CE2 3.69Å; A285-F415 HydrophobicContact CB-CZ 4.04Å; I411-F415 PolarHBondContact O-N 2.81Å; S412-F415 PolarHBondContact O-N 3.29Å; F415-M417 PolarHBondContact O-N 2.68Å; F415-K418 HydrophobicContact CD2-CD 4.04Å; F415-K418 VanDerWaalsContact CE1-NZ 3.26Å; F415-K418 HydrophobicContact CE2-CD 3.8Å; F415-K418 HydrophobicContact CZ-CD 4.23Å; F415-K418 VanDerWaalsContact O-CB 3.3Å; F415-K418 WeakPolarHBondContact O-CB 3.03Å; F415-K418 WeakPolarHBondContact O-CG 3.2Å; F415-K418 PolarHBondContact O-N 3.06Å; F415-K418 VanDerWaalsContact O-N 3.16Å; F415-K418 PolarHBondContact O-NZ 3.45Å; F415-Y429 AromaticContact CD2-CD1 3.5Å; F415-Y429 HydrophobicContact CD2-CD1 3.5Å; F415-Y429 HydrophobicContact CD2-CD2 4.1Å; F415-Y429 AromaticContact CD2-CE1 3.47Å; F415-Y429 HydrophobicContact CD2-CE1 3.47Å; F415-Y429 VanDerWaalsContact CD2-CE1 3.47Å; F415-Y429 HydrophobicContact CD2-CE2 4.1Å; F415-Y429 AromaticContact CD2-CG 3.81Å; F415-Y429 HydrophobicContact CD2-CG 3.81Å; F415-Y429 AromaticContact CD2-CZ 3.78Å; F415-Y429 AromaticContact CE2-CD1 3.6Å; F415-Y429 HydrophobicContact CE2-CD1 3.6Å; F415-Y429 AromaticContact CE2-CE1 3.78Å; F415-Y429 HydrophobicContact CE2-CE1 3.78Å; F415-Y429 HydrophobicContact CE2-CG 4.19Å
416	N	90.5	Very high	88.6	Confident	52 Å²	52	20.5 Å²	20.5	28%	0.278	10%	0.104	S	C	.	.	H	α-helix	trans	-68.4	-17.2	173.3	-67.2	-21	0	0	0	112.6	L251 Q254 S412 F413 L414	L251-N416 WeakPolarHBondContact CD1-ND2 3.15Å; Q254-N416 HydrophobicContact CG-CB 4.46Å; Q254-N416 PolarHBondContact OE1-ND2 3.5Å; Q254-N416 VanDerWaalsContact OE1-ND2 3.11Å; S412-N416 PolarHBondContact O-N 2.86Å; S412-N416 VanDerWaalsContact O-N 3.16Å; S412-N416 PolarHBondContact O-ND2 2.86Å; F413-N416 PolarHBondContact O-N 3.16Å; L414-N416 VanDerWaalsContact C-N 3.29Å; L414-N416 PolarHBondContact O-N 3.41Å
417	M	89.8	Confident	87.6	Confident	3 Å²	3	27.4 Å²	27.4	2%	0.015	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	9	173.2	-63.2	-170.5	164.5	0	0	113.6	L211 F413 L414 F415 N419 I420 L421 V538	L211-M417 HydrophobicContact CD2-CE 3.74Å; L211-M417 HydrophobicContact CD2-SD 3.8Å; F413-M417 HydrophobicContact CD1-SD 4.41Å; F413-M417 HydrophobicContact CE1-CE 3.59Å; F413-M417 HydrophobicContact CE1-SD 3.69Å; F413-M417 HydrophobicContact CE2-CE 4.27Å; F413-M417 HydrophobicContact CZ-CE 3.38Å; F413-M417 HydrophobicContact CZ-SD 4.15Å; F413-M417 PolarHBondContact O-N 2.68Å; L414-M417 CarbonylContact O-C 3.51Å; L414-M417 WeakPolarHBondContact O-CA 3.18Å; L414-M417 PolarHBondContact O-N 3.44Å; F415-M417 PolarHBondContact O-N 2.68Å; M417-N419 VanDerWaalsContact C-N 3.32Å; M417-N419 PolarHBondContact O-N 3.32Å; M417-I420 PolarHBondContact O-N 3.36Å; M417-I420 VanDerWaalsContact O-N 3.1Å; M417-L421 HydrophobicContact CB-CD1 4.08Å; M417-L421 HydrophobicContact CB-CG 4.26Å; M417-L421 PolarHBondContact O-N 3.22Å; M417-V538 HydrophobicContact CE-CG1 4.08Å
418	K	87.7	Confident	87	Confident	41 Å²	41	27.4 Å²	27.4	18%	0.178	14%	0.137	C	C	.	.	H	α-helix	trans	-55.6	-38.5	-172.4	64.7	-176.7	166	-79.7	0	115	L414 F415 I420 L421 N422	L414-K418 PolarHBondContact O-N 2.61Å; F415-K418 HydrophobicContact CD2-CD 4.04Å; F415-K418 VanDerWaalsContact CE1-NZ 3.26Å; F415-K418 HydrophobicContact CE2-CD 3.8Å; F415-K418 HydrophobicContact CZ-CD 4.23Å; F415-K418 VanDerWaalsContact O-CB 3.3Å; F415-K418 WeakPolarHBondContact O-CB 3.03Å; F415-K418 WeakPolarHBondContact O-CG 3.2Å; F415-K418 PolarHBondContact O-N 3.06Å; F415-K418 VanDerWaalsContact O-N 3.16Å; F415-K418 PolarHBondContact O-NZ 3.45Å; K418-I420 VanDerWaalsContact C-N 3.29Å; K418-I420 PolarHBondContact O-N 3.23Å; K418-L421 PolarHBondContact O-N 2.71Å; K418-N422 VanDerWaalsContact O-CB 3.23Å; K418-N422 WeakPolarHBondContact O-CB 3.43Å; K418-N422 PolarHBondContact O-N 3.47Å; K418-N422 PolarHBondContact O-ND2 3.42Å
419	N	81.1	Confident	86.4	Confident	37 Å²	37	27.5 Å²	27.5	20%	0.198	14%	0.137	C	C	.	.	H	α-helix	trans	-62.9	-41.3	-179.1	-67.8	-1.7	0	0	0	111.1	M417 S431 D435	M417-N419 VanDerWaalsContact C-N 3.32Å; M417-N419 PolarHBondContact O-N 3.32Å; N419-S431 WeakPolarHBondContact OD1-CB 3.49Å; N419-S431 PolarHBondContact OD1-OG 3.27Å; N419-D435 WeakPolarHBondContact CB-OD2 3.33Å; N419-D435 PolarHBondContact ND2-OD2 2.73Å
420	I	82.9	Confident	85.2	Confident	12 Å²	12	31.7 Å²	31.7	6%	0.062	16%	0.164	C	C	.	.	H	α-helix	trans	-73.2	-45.3	179.9	-62.4	167.8	0	0	0	109.9	M417 K418 N422 R423 Y424 Y534 F535 V538	M417-I420 PolarHBondContact O-N 3.36Å; M417-I420 VanDerWaalsContact O-N 3.1Å; K418-I420 VanDerWaalsContact C-N 3.29Å; K418-I420 PolarHBondContact O-N 3.23Å; I420-N422 VanDerWaalsContact C-N 3.29Å; I420-N422 PolarHBondContact O-N 3.23Å; I420-R423 WeakPolarHBondContact O-CB 3.02Å; I420-R423 PolarHBondContact O-N 3.02Å; I420-R423 VanDerWaalsContact O-N 3.16Å; I420-Y424 HydrophobicContact CG2-CE2 4.44Å; I420-Y424 WeakPolarHBondContact O-CD2 3.06Å; I420-Y534 HydrophobicContact CG2-CE1 3.62Å; I420-Y534 WeakPolarHBondContact CG2-OH 3.46Å; I420-F535 HydrophobicContact CG2-CE1 4.12Å; I420-V538 HydrophobicContact CD1-CB 4.14Å; I420-V538 HydrophobicContact CD1-CG1 3.19Å; I420-V538 HydrophobicContact CD1-CG2 3.79Å
421	L	86.8	Confident	83.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-32	178.3	-68.7	172.8	0	0	0	112.6	V208 L309 L414 M417 K418 R423 Y424 Y425 F428 F535	V208-L421 HydrophobicContact CG2-CD2 3.82Å; L309-L421 HydrophobicContact CD2-CD2 4.13Å; L414-L421 HydrophobicContact CB-CD1 4.33Å; L414-L421 HydrophobicContact CD2-CD1 3.95Å; M417-L421 HydrophobicContact CB-CD1 4.08Å; M417-L421 HydrophobicContact CB-CG 4.26Å; M417-L421 PolarHBondContact O-N 3.22Å; K418-L421 PolarHBondContact O-N 2.71Å; L421-R423 PolarHBondContact O-N 3.31Å; L421-Y424 PolarHBondContact O-N 3.49Å; L421-Y424 VanDerWaalsContact O-N 3.09Å; L421-Y425 HydrophobicContact CD2-CD2 4.39Å; L421-Y425 HydrophobicContact CD2-CE2 4.33Å; L421-Y425 WeakPolarHBondContact O-CD2 3.24Å; L421-Y425 PolarHBondContact O-N 3.25Å; L421-F428 HydrophobicContact CB-CB 4.34Å; L421-F428 HydrophobicContact CB-CD1 3.86Å; L421-F428 HydrophobicContact CB-CE1 4.44Å; L421-F428 HydrophobicContact CB-CG 4.1Å; L421-F428 HydrophobicContact CD1-CD1 3.76Å; L421-F428 HydrophobicContact CD1-CE1 3.46Å; L421-F428 VanDerWaalsContact CD1-CE1 3.46Å; L421-F428 HydrophobicContact CD1-CG 4.49Å; L421-F428 HydrophobicContact CD1-CZ 3.99Å; L421-F428 HydrophobicContact CG-CD1 4.48Å; L421-F535 HydrophobicContact CD2-CE1 3.77Å; L421-F535 HydrophobicContact CD2-CZ 4.3Å
422	N	82.4	Confident	81.8	Confident	27 Å²	27	40.2 Å²	40.2	14%	0.144	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.7	175.9	-81.6	-21	0	0	0	113.4	K418 I420 Y424 F428 Y429 S431	K418-N422 VanDerWaalsContact O-CB 3.23Å; K418-N422 WeakPolarHBondContact O-CB 3.43Å; K418-N422 PolarHBondContact O-N 3.47Å; K418-N422 PolarHBondContact O-ND2 3.42Å; I420-N422 VanDerWaalsContact C-N 3.29Å; I420-N422 PolarHBondContact O-N 3.23Å; N422-Y424 VanDerWaalsContact C-N 3.3Å; N422-F428 WeakPolarHBondContact OD1-CA 3.15Å; N422-F428 WeakPolarHBondContact OD1-CB 3.3Å; N422-F428 PolarHBondContact OD1-N 2.83Å; N422-Y429 PolarHBondContact ND2-O 3.15Å; N422-Y429 PolarHBondContact OD1-N 2.63Å; N422-Y429 PolarHBondContact OD1-O 3.03Å; N422-S431 VanDerWaalsContact ND2-CB 3.33Å; N422-S431 WeakPolarHBondContact ND2-CB 3.46Å
423	R	79.3	Confident	79.9	Confident	103 Å²	103	43 Å²	43	39%	0.389	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-34.3	173.4	-170.2	-178.1	-173.2	-174	6.8	112.6	C193 I420 L421 C437	C193-R423 PolarHBondContact O-NH1 3.4Å; C193-R423 PolarHBondContact SG-NH1 3.31Å; I420-R423 WeakPolarHBondContact O-CB 3.02Å; I420-R423 PolarHBondContact O-N 3.02Å; I420-R423 VanDerWaalsContact O-N 3.16Å; L421-R423 PolarHBondContact O-N 3.31Å; R423-C437 PolarHBondContact NH1-SG 2.83Å
424	Y	81.9	Confident	77.6	Confident	29 Å²	29	51.7 Å²	51.7	11%	0.114	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-31.8	-176	-54.2	-79.6	0	0	0	112.1	S196 I204 I420 L421 N422 Y534 F535	S196-Y424 WeakPolarHBondContact CB-OH 3.14Å; S196-Y424 PolarHBondContact OG-OH 2.86Å; S196-Y424 VanDerWaalsContact OG-OH 3.04Å; I204-Y424 HydrophobicContact CD1-CD1 3.82Å; I204-Y424 HydrophobicContact CD1-CE1 3.52Å; I204-Y424 HydrophobicContact CD1-CG 4.48Å; I204-Y424 HydrophobicContact CG1-CD1 3.67Å; I204-Y424 HydrophobicContact CG1-CE1 3.93Å; I204-Y424 HydrophobicContact CG1-CG 4.23Å; I204-Y424 HydrophobicContact CG2-CD1 4.18Å; I204-Y424 HydrophobicContact CG2-CD2 4.13Å; I204-Y424 HydrophobicContact CG2-CG 3.86Å; I420-Y424 HydrophobicContact CG2-CE2 4.44Å; I420-Y424 WeakPolarHBondContact O-CD2 3.06Å; L421-Y424 PolarHBondContact O-N 3.49Å; L421-Y424 VanDerWaalsContact O-N 3.09Å; N422-Y424 VanDerWaalsContact C-N 3.3Å; Y424-Y534 HydrophobicContact CE2-CE1 4.32Å; Y424-F535 HydrophobicContact CD2-CZ 4.16Å; Y424-F535 AromaticContact CE2-CZ 3.89Å; Y424-F535 HydrophobicContact CE2-CZ 3.89Å
425	Y	82.7	Confident	75.7	Confident	12 Å²	12	52.8 Å²	52.8	5%	0.047	28%	0.278	C	S	.	.	S	Bend	trans	-125.9	89.8	-175.7	-53.9	-74.5	0	0	0	108.7	I201 I204 E205 K308 L309 L421 E427 F428	I201-Y425 HydrophobicContact CG2-CD1 4.44Å; I201-Y425 HydrophobicContact CG2-CE1 3.56Å; I201-Y425 PolarHBondContact O-OH 3.38Å; I204-Y425 HydrophobicContact CG2-CE2 3.8Å; E205-Y425 WeakPolarHBondContact CA-OH 3.35Å; E205-Y425 PolarHBondContact N-OH 3.45Å; K308-Y425 HydrophobicContact CB-CD1 3.74Å; K308-Y425 HydrophobicContact CB-CE1 4.41Å; K308-Y425 HydrophobicContact CB-CG 4.1Å; K308-Y425 WeakPolarHBondContact O-CE1 3.43Å; L309-Y425 HydrophobicContact CD2-CD2 3.74Å; L309-Y425 HydrophobicContact CD2-CE2 3.34Å; L421-Y425 HydrophobicContact CD2-CD2 4.39Å; L421-Y425 HydrophobicContact CD2-CE2 4.33Å; L421-Y425 WeakPolarHBondContact O-CD2 3.24Å; L421-Y425 PolarHBondContact O-N 3.25Å; Y425-E427 PolarHBondContact O-N 3.09Å; Y425-F428 PolarHBondContact O-N 2.98Å
426	S	75.9	Confident	74.1	Confident	91 Å²	91	54.1 Å²	54.1	64%	0.636	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	126.9	178.1	60.8	0	0	0	0	110.2	K308	K308-S426 PolarHBondContact NZ-O 2.89Å
427	E	72.2	Confident	72.9	Confident	145 Å²	145	52.1 Å²	52.1	68%	0.678	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	41.7	-177.1	-45.9	170.8	171.9	0	0	114	Y305 K308 Y425 Y429	Y305-E427 VanDerWaalsContact CD1-O 3.25Å; Y305-E427 WeakPolarHBondContact CD1-O 3.35Å; Y305-E427 WeakPolarHBondContact CE1-O 3.22Å; K308-E427 VanDerWaalsContact NZ-C 3.31Å; K308-E427 PolarHBondContact NZ-O 3.03Å; Y425-E427 PolarHBondContact O-N 3.09Å; E427-Y429 VanDerWaalsContact C-N 3.28Å
428	F	79.2	Confident	71.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-64.1	-38.9	167.5	-176.1	-102.2	0	0	0	110.4	Y305 L306 L309 L414 L421 N422 Y425	Y305-F428 WeakPolarHBondContact CB-O 3.41Å; Y305-F428 WeakPolarHBondContact CD1-O 3.29Å; Y305-F428 WeakPolarHBondContact CD2-O 3.23Å; Y305-F428 WeakPolarHBondContact O-CD2 3.45Å; Y305-F428 WeakPolarHBondContact O-CE2 3.5Å; L306-F428 HydrophobicContact CD2-CZ 4.18Å; L309-F428 HydrophobicContact CD1-CE2 3.45Å; L309-F428 VanDerWaalsContact CD1-CE2 3.45Å; L309-F428 HydrophobicContact CD1-CZ 3.51Å; L309-F428 HydrophobicContact CD2-CD2 4.49Å; L309-F428 HydrophobicContact CD2-CE2 4.11Å; L309-F428 HydrophobicContact CG-CD2 4.31Å; L309-F428 HydrophobicContact CG-CE2 3.56Å; L309-F428 HydrophobicContact CG-CZ 4.14Å; L414-F428 HydrophobicContact CB-CE1 4.21Å; L414-F428 HydrophobicContact CB-CZ 4.22Å; L421-F428 HydrophobicContact CB-CB 4.34Å; L421-F428 HydrophobicContact CB-CD1 3.86Å; L421-F428 HydrophobicContact CB-CE1 4.44Å; L421-F428 HydrophobicContact CB-CG 4.1Å; L421-F428 HydrophobicContact CD1-CD1 3.76Å; L421-F428 HydrophobicContact CD1-CE1 3.46Å; L421-F428 VanDerWaalsContact CD1-CE1 3.46Å; L421-F428 HydrophobicContact CD1-CG 4.49Å; L421-F428 HydrophobicContact CD1-CZ 3.99Å; L421-F428 HydrophobicContact CG-CD1 4.48Å; N422-F428 WeakPolarHBondContact OD1-CA 3.15Å; N422-F428 WeakPolarHBondContact OD1-CB 3.3Å; N422-F428 PolarHBondContact OD1-N 2.83Å; Y425-F428 PolarHBondContact O-N 2.98Å
429	Y	80.8	Confident	69.8	Low	2 Å²	2	53.9 Å²	53.9	1%	0.008	29%	0.293	C	S	.	.	S	Bend	trans	-151.8	156	163.5	-95.5	-93.8	0	0	0	108.7	A282 A285 V286 L302 Y305 F415 N422 E427 S431	A282-Y429 WeakPolarHBondContact O-CE1 3.5Å; A282-Y429 PolarHBondContact O-OH 3.46Å; A285-Y429 HydrophobicContact CB-CD1 4.26Å; A285-Y429 HydrophobicContact CB-CE1 4.19Å; V286-Y429 HydrophobicContact CG2-CE1 3.81Å; L302-Y429 VanDerWaalsContact CD1-OH 3.24Å; L302-Y429 WeakPolarHBondContact CD1-OH 3.31Å; Y305-Y429 HydrophobicContact CD2-CD1 4.24Å; Y305-Y429 AromaticContact CD2-CD2 3.95Å; Y305-Y429 HydrophobicContact CD2-CD2 3.95Å; Y305-Y429 HydrophobicContact CD2-CE1 4.15Å; Y305-Y429 AromaticContact CD2-CE2 3.83Å; Y305-Y429 HydrophobicContact CD2-CE2 3.83Å; Y305-Y429 HydrophobicContact CD2-CG 4.16Å; Y305-Y429 AromaticContact CD2-CZ 3.96Å; Y305-Y429 AromaticContact CE2-CD1 3.96Å; Y305-Y429 HydrophobicContact CE2-CD1 3.96Å; Y305-Y429 HydrophobicContact CE2-CD2 4.4Å; Y305-Y429 HydrophobicContact CE2-CE1 4.09Å; Y305-Y429 HydrophobicContact CE2-CE2 4.5Å; Y305-Y429 HydrophobicContact CE2-CG 4.14Å; F415-Y429 AromaticContact CD2-CD1 3.5Å; F415-Y429 HydrophobicContact CD2-CD1 3.5Å; F415-Y429 HydrophobicContact CD2-CD2 4.1Å; F415-Y429 AromaticContact CD2-CE1 3.47Å; F415-Y429 HydrophobicContact CD2-CE1 3.47Å; F415-Y429 VanDerWaalsContact CD2-CE1 3.47Å; F415-Y429 HydrophobicContact CD2-CE2 4.1Å; F415-Y429 AromaticContact CD2-CG 3.81Å; F415-Y429 HydrophobicContact CD2-CG 3.81Å; F415-Y429 AromaticContact CD2-CZ 3.78Å; F415-Y429 AromaticContact CE2-CD1 3.6Å; F415-Y429 HydrophobicContact CE2-CD1 3.6Å; F415-Y429 AromaticContact CE2-CE1 3.78Å; F415-Y429 HydrophobicContact CE2-CE1 3.78Å; F415-Y429 HydrophobicContact CE2-CG 4.19Å; N422-Y429 PolarHBondContact ND2-O 3.15Å; N422-Y429 PolarHBondContact OD1-N 2.63Å; N422-Y429 PolarHBondContact OD1-O 3.03Å; E427-Y429 VanDerWaalsContact C-N 3.28Å; Y429-S431 PolarHBondContact O-N 3.4Å
430	P	70	Confident	68.5	Low	88 Å²	88	52.8 Å²	52.8	57%	0.571	29%	0.287	S	S	*	.			trans	-56.9	129.8	171.5	-22.6	33.7	0	0	0	110.7
431	S	63.9	Low	67.1	Low	38 Å²	38	52.9 Å²	52.9	27%	0.266	29%	0.287	S	S	.	.			trans	-138.7	142.9	172.7	-179.2	0	0	0	0	109.8	N419 N422 Y429 I433	N419-S431 WeakPolarHBondContact OD1-CB 3.49Å; N419-S431 PolarHBondContact OD1-OG 3.27Å; N422-S431 VanDerWaalsContact ND2-CB 3.33Å; N422-S431 WeakPolarHBondContact ND2-CB 3.46Å; Y429-S431 PolarHBondContact O-N 3.4Å; S431-I433 PolarHBondContact OG-N 3.01Å; S431-I433 VanDerWaalsContact OG-N 3.1Å; S431-I433 PolarHBondContact OG-O 2.95Å
432	T	52.2	Low	65.5	Low	143 Å²	143	53.8 Å²	53.8	88%	0.877	29%	0.292	S	S	*	.	S	Bend	trans	-94	-1.4	173.5	56	0	0	0	0	112.3
433	I	55.5	Low	64	Low	69 Å²	69	58.9 Å²	58.9	35%	0.354	31%	0.309	S	S	.	.			trans	-126.6	116.4	-170.7	-48.7	-179.3	0	0	0	108.6	S431 D435	S431-I433 PolarHBondContact OG-N 3.01Å; S431-I433 VanDerWaalsContact OG-N 3.1Å; S431-I433 PolarHBondContact OG-O 2.95Å; I433-D435 WeakPolarHBondContact CG2-OD1 3Å
434	H	49.2	Very low	62.6	Low	181 Å²	181	55.2 Å²	55.2	84%	0.838	30%	0.297	S	S	*	.			trans	-90.4	96.9	164.2	-68.7	-63.1	0	0	0	107.4	G436	H434-G436 PolarHBondContact O-N 2.84Å
435	D	53.3	Low	61.4	Low	25 Å²	25	54.6 Å²	54.6	13%	0.134	29%	0.294	C	S	.	.			trans	-80.2	111.3	175.1	-67.3	-44.3	0	0	0	108	N419 I433 F439	N419-D435 WeakPolarHBondContact CB-OD2 3.33Å; N419-D435 PolarHBondContact ND2-OD2 2.73Å; I433-D435 WeakPolarHBondContact CG2-OD1 3Å; D435-F439 HydrophobicContact CB-CD1 4.46Å; D435-F439 WeakPolarHBondContact OD1-CD1 3.13Å; D435-F439 WeakPolarHBondContact OD1-CE1 3.16Å
436	G	59.9	Low	60.1	Low	39 Å²	39	54.6 Å²	54.6	40%	0.402	30%	0.295	S	S	.	.			trans	-73.8	159.3	166.5	0	0	0	0	0	110.3	H434 L438 F439 D440	H434-G436 PolarHBondContact O-N 2.84Å; G436-L438 PolarHBondContact O-N 3.41Å; G436-L438 VanDerWaalsContact O-N 3.15Å; G436-F439 WeakPolarHBondContact O-CB 3.38Å; G436-F439 PolarHBondContact O-N 3.32Å; G436-D440 PolarHBondContact O-N 3.15Å
437	C	65.3	Low	59	Low	10 Å²	10	51.6 Å²	51.6	7%	0.068	27%	0.271	C	S	.	.	H	α-helix	trans	-48.1	-47.9	177.2	-75	0	0	0	0	112	C193 T194 R423 F439 D440 H441	C193-C437 HydrophobicContact CB-CB 3.82Å; C193-C437 WeakPolarHBondContact CB-SG 3.47Å; C193-C437 PolarHBondContact O-SG 3.16Å; C193-C437 WeakPolarHBondContact SG-CA 3.47Å; C193-C437 WeakPolarHBondContact SG-CB 3.24Å; C193-C437 CovalentContact SG-SG 2.04Å; C193-C437 PolarHBondContact SG-SG 3.4Å; T194-C437 HydrophobicContact CG2-CB 4.26Å; R423-C437 PolarHBondContact NH1-SG 2.83Å; C437-F439 PolarHBondContact O-N 2.84Å; C437-F439 VanDerWaalsContact O-N 3.16Å; C437-D440 WeakPolarHBondContact O-CB 3.22Å; C437-D440 PolarHBondContact O-N 3.25Å; C437-D440 VanDerWaalsContact O-N 3.12Å; C437-H441 PolarHBondContact O-CD2 3.14Å; C437-H441 PolarHBondContact O-N 3.26Å
438	L	58.4	Low	58	Low	18 Å²	18	45 Å²	45	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-56.6	-34.1	-178.7	-153.4	76.6	0	0	0	112.4	D165 I168 I169 Y190 G436 H441 M442	D165-L438 HydrophobicContact CB-CD2 3.74Å; D165-L438 WeakPolarHBondContact OD1-CD2 3.07Å; I168-L438 HydrophobicContact CB-CD1 4.07Å; I168-L438 HydrophobicContact CD1-CD2 4.41Å; I168-L438 HydrophobicContact CG2-CD1 3.62Å; I169-L438 HydrophobicContact CG1-CD1 4.28Å; Y190-L438 HydrophobicContact CE2-CD1 4.19Å; G436-L438 PolarHBondContact O-N 3.41Å; G436-L438 VanDerWaalsContact O-N 3.15Å; L438-H441 WeakPolarHBondContact O-CB 2.95Å; L438-H441 PolarHBondContact O-N 2.56Å; L438-M442 HydrophobicContact CD2-CE 4.24Å; L438-M442 HydrophobicContact CG-CE 4.19Å; L438-M442 WeakPolarHBondContact O-CB 3.42Å; L438-M442 VanDerWaalsContact O-CG 3.27Å; L438-M442 WeakPolarHBondContact O-CG 3.33Å; L438-M442 PolarHBondContact O-N 2.89Å
439	F	53.6	Low	57	Low	62 Å²	62	45.3 Å²	45.3	27%	0.272	24%	0.243	S	C	.	.	H	α-helix	trans	-76	-39.5	179.1	-162.8	-98.5	0	0	0	112.6	D435 G436 C437 H441 M442 R443	D435-F439 HydrophobicContact CB-CD1 4.46Å; D435-F439 WeakPolarHBondContact OD1-CD1 3.13Å; D435-F439 WeakPolarHBondContact OD1-CE1 3.16Å; G436-F439 WeakPolarHBondContact O-CB 3.38Å; G436-F439 PolarHBondContact O-N 3.32Å; C437-F439 PolarHBondContact O-N 2.84Å; C437-F439 VanDerWaalsContact O-N 3.16Å; F439-H441 VanDerWaalsContact C-N 3.28Å; F439-H441 PolarHBondContact O-N 3Å; F439-M442 HydrophobicContact CD2-CE 4.34Å; F439-M442 PolarHBondContact O-N 2.65Å; F439-R443 VanDerWaalsContact CE1-CZ 3.47Å; F439-R443 PolarHBondContact O-N 2.96Å
440	D	53.5	Low	55.8	Low	14 Å²	14	45.2 Å²	45.2	8%	0.075	24%	0.242	C	C	.	.	H	α-helix	trans	-57.2	-45.8	167.3	-81.8	-17.2	0	0	0	109.3	G436 C437 M442 R443 I444 Y534	G436-D440 PolarHBondContact O-N 3.15Å; C437-D440 WeakPolarHBondContact O-CB 3.22Å; C437-D440 PolarHBondContact O-N 3.25Å; C437-D440 VanDerWaalsContact O-N 3.12Å; D440-M442 PolarHBondContact O-N 2.76Å; D440-R443 PolarHBondContact O-N 2.87Å; D440-I444 HydrophobicContact CB-CD1 4.38Å; D440-I444 WeakPolarHBondContact O-CB 3.39Å; D440-I444 WeakPolarHBondContact O-CD1 3.08Å; D440-I444 WeakPolarHBondContact O-CG1 3.41Å; D440-I444 PolarHBondContact O-N 3Å; D440-Y534 PolarHBondContact OD2-OH 2.88Å; D440-Y534 VanDerWaalsContact OD2-OH 3.06Å
441	H	53.1	Low	55	Low	14 Å²	14	47.5 Å²	47.5	7%	0.065	25%	0.245	C	C	.	.	H	α-helix	trans	-59.5	-47.6	176.6	-74.3	-64.3	0	0	0	114.6	Y189 Y190 C437 L438 F439 R443 I444 R445	Y189-H441 AromaticContact CD1-CE1 2.96Å; Y189-H441 WeakPolarHBondContact CD1-CE1 3.42Å; Y189-H441 AromaticContact CD1-ND1 3.61Å; Y189-H441 AromaticContact CD1-NE2 3.66Å; Y189-H441 AromaticContact CE1-CE1 3.7Å; Y189-H441 AromaticContact CG-CE1 3.6Å; Y190-H441 WeakPolarHBondContact CA-CE1 3.09Å; Y190-H441 WeakPolarHBondContact CA-NE2 3.2Å; Y190-H441 AromaticContact CD2-CD2 3.59Å; Y190-H441 AromaticContact CD2-NE2 3.63Å; Y190-H441 PolarHBondContact N-CE1 3.35Å; C437-H441 PolarHBondContact O-CD2 3.14Å; C437-H441 PolarHBondContact O-N 3.26Å; L438-H441 WeakPolarHBondContact O-CB 2.95Å; L438-H441 PolarHBondContact O-N 2.56Å; F439-H441 VanDerWaalsContact C-N 3.28Å; F439-H441 PolarHBondContact O-N 3Å; H441-R443 VanDerWaalsContact C-N 3.31Å; H441-R443 PolarHBondContact O-N 3.12Å; H441-I444 CarbonylContact O-C 3.42Å; H441-I444 WeakPolarHBondContact O-CA 3.32Å; H441-I444 PolarHBondContact O-N 2.86Å; H441-R445 PolarHBondContact O-N 2.81Å
442	M	53.6	Low	54.6	Low	19 Å²	19	47.4 Å²	47.4	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-35.6	-175	-78.7	-170.7	-70.6	0	0	112.2	H159 T161 I168 L438 F439 D440 I444 M446	H159-M442 WeakPolarHBondContact CE1-CE 3.47Å; H159-M442 WeakPolarHBondContact ND1-CE 3.43Å; T161-M442 HydrophobicContact CG2-SD 3.67Å; I168-M442 HydrophobicContact CD1-SD 4.28Å; L438-M442 HydrophobicContact CD2-CE 4.24Å; L438-M442 HydrophobicContact CG-CE 4.19Å; L438-M442 WeakPolarHBondContact O-CB 3.42Å; L438-M442 VanDerWaalsContact O-CG 3.27Å; L438-M442 WeakPolarHBondContact O-CG 3.33Å; L438-M442 PolarHBondContact O-N 2.89Å; F439-M442 HydrophobicContact CD2-CE 4.34Å; F439-M442 PolarHBondContact O-N 2.65Å; D440-M442 PolarHBondContact O-N 2.76Å; M442-I444 PolarHBondContact O-N 3.46Å; M442-M446 HydrophobicContact CG-CE 3.56Å; M442-M446 HydrophobicContact SD-CE 4.22Å
443	R	49.6	Very low	54.8	Low	135 Å²	135	41.4 Å²	41.4	51%	0.509	20%	0.204	S	C	.	.	H	α-helix	trans	-70.7	-17.2	173.3	-85.1	-179.4	164.6	174	1.5	113.1	F439 D440 H441	F439-R443 VanDerWaalsContact CE1-CZ 3.47Å; F439-R443 PolarHBondContact O-N 2.96Å; D440-R443 PolarHBondContact O-N 2.87Å; H441-R443 VanDerWaalsContact C-N 3.31Å; H441-R443 PolarHBondContact O-N 3.12Å
444	I	51.8	Low	54.7	Low	26 Å²	26	39.7 Å²	39.7	13%	0.133	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	55.1	-161.8	-54.7	162.3	0	0	0	108.1	Y189 D440 H441 M442 S541	Y189-I444 HydrophobicContact CE2-CG2 4.08Å; D440-I444 HydrophobicContact CB-CD1 4.38Å; D440-I444 WeakPolarHBondContact O-CB 3.39Å; D440-I444 WeakPolarHBondContact O-CD1 3.08Å; D440-I444 WeakPolarHBondContact O-CG1 3.41Å; D440-I444 PolarHBondContact O-N 3Å; H441-I444 CarbonylContact O-C 3.42Å; H441-I444 WeakPolarHBondContact O-CA 3.32Å; H441-I444 PolarHBondContact O-N 2.86Å; M442-I444 PolarHBondContact O-N 3.46Å; I444-S541 WeakPolarHBondContact CD1-OG 3.34Å; I444-S541 WeakPolarHBondContact CG1-OG 3.35Å; I444-S541 WeakPolarHBondContact CG2-OG 3.33Å
445	R	56.7	Low	54.9	Low	15 Å²	15	34.7 Å²	34.7	6%	0.057	18%	0.181	C	C	.	.			trans	90.4	98.1	150.5	-42.4	132.6	178.2	172.6	-31.5	114	H441 D522 I524 Y540 S541 T544	H441-R445 PolarHBondContact O-N 2.81Å; R445-D522 WeakPolarHBondContact CB-OD2 3.45Å; R445-D522 WeakPolarHBondContact CG-OD1 3.03Å; R445-D522 WeakPolarHBondContact CG-OD2 3.1Å; R445-D522 IonicContact NE-OD1 2.92Å; R445-I524 VanDerWaalsContact CD-CB 3.42Å; R445-I524 VanDerWaalsContact CD-CD1 3.46Å; R445-I524 HydrophobicContact CG-CG2 4.45Å; R445-I524 VanDerWaalsContact CZ-CD1 3.42Å; R445-I524 VanDerWaalsContact NE-CB 3.27Å; R445-Y540 PolarHBondContact NH2-O 3.29Å; R445-S541 VanDerWaalsContact NH1-CA 3.33Å; R445-T544 PolarHBondContact NH2-OG1 3.06Å
446	M	55.1	Low	54.8	Low	13 Å²	13	40 Å²	40	6%	0.064	20%	0.204	C	C	.	.			trans	-101.2	5.7	174.2	-84.9	-116.8	-151.4	0	0	113.9	I168 M442 L449 E450 F563	I168-M446 HydrophobicContact CD1-CE 3.56Å; I168-M446 HydrophobicContact CG1-CE 4.16Å; M442-M446 HydrophobicContact CG-CE 3.56Å; M442-M446 HydrophobicContact SD-CE 4.22Å; M446-L449 HydrophobicContact CB-CB 4.35Å; M446-L449 HydrophobicContact CG-CB 4.43Å; M446-L449 HydrophobicContact CG-CD1 4.05Å; M446-L449 CarbonylContact O-C 3.1Å; M446-L449 WeakPolarHBondContact O-CA 3.38Å; M446-L449 WeakPolarHBondContact O-CB 3.46Å; M446-L449 PolarHBondContact O-N 3.43Å; M446-L449 HydrophobicContact SD-CB 3.76Å; M446-L449 HydrophobicContact SD-CD1 3.68Å; M446-L449 HydrophobicContact SD-CG 4.37Å; M446-E450 WeakPolarHBondContact O-CB 3.43Å; M446-E450 PolarHBondContact O-N 3.29Å; M446-F563 HydrophobicContact CB-CD1 3.97Å; M446-F563 HydrophobicContact CB-CE1 4.15Å
447	I	52	Low	54.4	Low	27 Å²	27	39 Å²	39	14%	0.138	19%	0.192	C	C	.	.	H	α-helix	trans	-48.3	-50	-173.8	-60.9	-179.7	0	0	0	113	E450 D522 F563	I447-E450 VanDerWaalsContact O-CB 3.25Å; I447-E450 WeakPolarHBondContact O-CB 3.49Å; I447-E450 PolarHBondContact O-N 2.92Å; I447-D522 HydrophobicContact CD1-CB 3.94Å; I447-D522 WeakPolarHBondContact CD1-OD2 3.35Å; I447-F563 HydrophobicContact CG1-CE1 4.4Å
448	P	52.3	Low	53.5	Low	7 Å²	7	43.4 Å²	43.4	5%	0.045	21%	0.214	C	C	.	.	H	α-helix	trans	-72.3	-28.1	176.8	24.3	-32.4	0	0	0	114.2	R182 F183 A186 E450	R182-P448 HydrophobicContact CB-CB 3.78Å; R182-P448 HydrophobicContact CB-CG 3.73Å; R182-P448 VanDerWaalsContact O-CG 3.32Å; R182-P448 WeakPolarHBondContact O-CG 3.35Å; F183-P448 HydrophobicContact CB-CB 3.97Å; F183-P448 VanDerWaalsContact N-CB 3.27Å; A186-P448 HydrophobicContact CB-CG 4.38Å; P448-E450 PolarHBondContact O-N 3.45Å
449	L	57.2	Low	52.8	Low	6 Å²	6	45.6 Å²	45.6	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-69.9	-20.5	171.5	-65.3	168.9	0	0	0	111.7	L171 M172 F183 A186 M446 L452 F453	L171-L449 HydrophobicContact CD2-CB 4.41Å; L171-L449 HydrophobicContact CD2-CD2 3.46Å; L171-L449 VanDerWaalsContact CD2-CD2 3.46Å; L171-L449 HydrophobicContact CG-CD2 3.86Å; M172-L449 HydrophobicContact CE-CD1 4.17Å; M172-L449 HydrophobicContact SD-CD1 3.69Å; M172-L449 HydrophobicContact SD-CD2 3.4Å; M172-L449 WeakPolarHBondContact SD-CD2 3.1Å; M172-L449 HydrophobicContact SD-CG 4.12Å; F183-L449 HydrophobicContact CD2-CD2 3.84Å; F183-L449 HydrophobicContact CE2-CD2 3.51Å; A186-L449 HydrophobicContact CB-CD1 4.44Å; A186-L449 HydrophobicContact CB-CG 4.47Å; M446-L449 HydrophobicContact CB-CB 4.35Å; M446-L449 HydrophobicContact CG-CB 4.43Å; M446-L449 HydrophobicContact CG-CD1 4.05Å; M446-L449 CarbonylContact O-C 3.1Å; M446-L449 WeakPolarHBondContact O-CA 3.38Å; M446-L449 WeakPolarHBondContact O-CB 3.46Å; M446-L449 PolarHBondContact O-N 3.43Å; M446-L449 HydrophobicContact SD-CB 3.76Å; M446-L449 HydrophobicContact SD-CD1 3.68Å; M446-L449 HydrophobicContact SD-CG 4.37Å; L449-L452 PolarHBondContact O-N 3.35Å; L449-F453 WeakPolarHBondContact O-CB 3.41Å; L449-F453 PolarHBondContact O-N 3.04Å
450	E	55.2	Low	52.6	Low	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-73	-39.1	-176	-166.9	-178.4	129.2	0	0	113.5	M446 I447 P448 L452 L454 S510 R518 T564 F565	M446-E450 WeakPolarHBondContact O-CB 3.43Å; M446-E450 PolarHBondContact O-N 3.29Å; I447-E450 VanDerWaalsContact O-CB 3.25Å; I447-E450 WeakPolarHBondContact O-CB 3.49Å; I447-E450 PolarHBondContact O-N 2.92Å; P448-E450 PolarHBondContact O-N 3.45Å; E450-L452 VanDerWaalsContact C-N 3.32Å; E450-L454 HydrophobicContact CG-CD1 4.19Å; E450-L454 VanDerWaalsContact O-CB 3.3Å; E450-L454 WeakPolarHBondContact O-CB 3.12Å; E450-L454 WeakPolarHBondContact O-CD1 3.4Å; E450-L454 VanDerWaalsContact O-CG 3.31Å; E450-L454 WeakPolarHBondContact O-CG 3.18Å; E450-L454 PolarHBondContact O-N 3.06Å; E450-S510 WeakPolarHBondContact OE1-CA 3.35Å; E450-S510 WeakPolarHBondContact OE1-CB 3.07Å; E450-R518 IonicContact OE1-CZ 2.84Å; E450-R518 VanDerWaalsContact OE1-CZ 3.3Å; E450-R518 IonicContact OE1-NH1 3.88Å; E450-R518 PolarHBondContact OE1-NH1 3.42Å; E450-R518 IonicContact OE1-NH2 2.72Å; E450-R518 PolarHBondContact OE1-NH2 3.13Å; E450-R518 IonicContact OE2-CZ 2.76Å; E450-R518 IonicContact OE2-NH1 2.78Å; E450-R518 IonicContact OE2-NH2 3.61Å; E450-R518 PolarHBondContact OE2-NH2 3.26Å; E450-T564 VanDerWaalsContact CD-CB 3.47Å; E450-T564 VanDerWaalsContact CD-OG1 3.26Å; E450-T564 VanDerWaalsContact OE1-CB 3.24Å; E450-T564 WeakPolarHBondContact OE1-CB 3.32Å; E450-T564 PolarHBondContact OE1-OG1 3.07Å; E450-F565 HydrophobicContact CB-CE2 3.81Å; E450-F565 HydrophobicContact CB-CZ 4.02Å; E450-F565 HydrophobicContact CG-CD2 4.47Å; E450-F565 HydrophobicContact CG-CE1 4.31Å; E450-F565 HydrophobicContact CG-CE2 3.52Å; E450-F565 HydrophobicContact CG-CZ 3.39Å
451	E	53.2	Low	52.4	Low	136 Å²	136	56.7 Å²	56.7	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-65.2	-40.8	173.6	-167	170.1	-177.5	0	0	111.1	S455	E451-S455 PolarHBondContact O-N 3.22Å
452	L	56.4	Low	52.5	Low	37 Å²	37	57.4 Å²	57.4	19%	0.194	29%	0.288	C	S	.	.	H	α-helix	trans	-69.8	-45.7	177.1	-79	155.4	0	0	0	112.6	L171 F183 L449 E450 S455 H456	L171-L452 HydrophobicContact CD1-CB 4.11Å; L171-L452 HydrophobicContact CD1-CD1 4.29Å; L171-L452 HydrophobicContact CD1-CD2 4.34Å; L171-L452 HydrophobicContact CD1-CG 4.5Å; L171-L452 HydrophobicContact CD2-CB 4.03Å; F183-L452 HydrophobicContact CD2-CD1 3.23Å; F183-L452 HydrophobicContact CE2-CD1 3.32Å; F183-L452 HydrophobicContact CG-CD1 3.9Å; F183-L452 HydrophobicContact CZ-CD1 4.05Å; L449-L452 PolarHBondContact O-N 3.35Å; E450-L452 VanDerWaalsContact C-N 3.32Å; L452-S455 PolarHBondContact O-N 2.98Å; L452-S455 PolarHBondContact O-OG 2.86Å; L452-H456 PolarHBondContact O-N 2.92Å
453	F	55.8	Low	52.9	Low	17 Å²	17	60.7 Å²	60.7	8%	0.075	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-45.7	176.3	176.9	-76.1	0	0	0	109.8	V163 F167 L449 S455 H456 A457 F565	V163-F453 HydrophobicContact CB-CE2 4Å; V163-F453 HydrophobicContact CG1-CD2 4.07Å; V163-F453 HydrophobicContact CG1-CE2 3.58Å; V163-F453 HydrophobicContact CG2-CD2 4.06Å; V163-F453 HydrophobicContact CG2-CE2 3.31Å; V163-F453 HydrophobicContact CG2-CZ 3.64Å; F167-F453 AromaticContact CD1-CD2 3.67Å; F167-F453 HydrophobicContact CD1-CD2 3.67Å; F167-F453 HydrophobicContact CD1-CE2 4.04Å; F167-F453 HydrophobicContact CE1-CB 4.1Å; F167-F453 AromaticContact CE1-CD2 3.37Å; F167-F453 HydrophobicContact CE1-CD2 3.37Å; F167-F453 HydrophobicContact CE1-CE2 4.13Å; F167-F453 HydrophobicContact CE1-CG 4.1Å; F167-F453 HydrophobicContact CZ-CD2 4.34Å; L449-F453 WeakPolarHBondContact O-CB 3.41Å; L449-F453 PolarHBondContact O-N 3.04Å; F453-S455 VanDerWaalsContact C-N 3.27Å; F453-S455 PolarHBondContact O-N 2.74Å; F453-H456 CarbonylContact O-C 3.53Å; F453-H456 PolarHBondContact O-N 3.38Å; F453-A457 HydrophobicContact CD1-CB 3.5Å; F453-A457 VanDerWaalsContact CD1-CB 3.5Å; F453-A457 HydrophobicContact CE1-CB 3.13Å; F453-A457 HydrophobicContact CE2-CB 4.34Å; F453-A457 HydrophobicContact CG-CB 4.35Å; F453-A457 HydrophobicContact CZ-CB 3.6Å; F453-A457 VanDerWaalsContact O-CB 3.24Å; F453-A457 WeakPolarHBondContact O-CB 3.37Å; F453-A457 PolarHBondContact O-N 3.48Å; F453-F565 HydrophobicContact CB-CD2 4.46Å; F453-F565 HydrophobicContact CB-CE1 4.27Å; F453-F565 HydrophobicContact CB-CE2 3.56Å; F453-F565 HydrophobicContact CB-CZ 3.45Å; F453-F565 VanDerWaalsContact CB-CZ 3.45Å; F453-F565 AromaticContact CD1-CD1 3.35Å; F453-F565 HydrophobicContact CD1-CD1 3.35Å; F453-F565 HydrophobicContact CD1-CD2 4.12Å; F453-F565 AromaticContact CD1-CE1 2.87Å; F453-F565 HydrophobicContact CD1-CE1 2.87Å; F453-F565 AromaticContact CD1-CE2 3.66Å; F453-F565 HydrophobicContact CD1-CE2 3.66Å; F453-F565 AromaticContact CD1-CG 3.97Å; F453-F565 HydrophobicContact CD1-CG 3.97Å; F453-F565 AromaticContact CD1-CZ 3.02Å; F453-F565 HydrophobicContact CD1-CZ 3.02Å; F453-F565 HydrophobicContact CD2-CE2 4.46Å; F453-F565 AromaticContact CE1-CD1 3.2Å; F453-F565 HydrophobicContact CE1-CD1 3.2Å; F453-F565 HydrophobicContact CE1-CD2 4.49Å; F453-F565 AromaticContact CE1-CE1 3.22Å; F453-F565 HydrophobicContact CE1-CE1 3.22Å; F453-F565 HydrophobicContact CE1-CE2 4.42Å; F453-F565 AromaticContact CE1-CG 3.91Å; F453-F565 HydrophobicContact CE1-CG 3.91Å; F453-F565 AromaticContact CE1-CZ 3.85Å; F453-F565 HydrophobicContact CE1-CZ 3.85Å; F453-F565 HydrophobicContact CG-CD1 4.17Å; F453-F565 HydrophobicContact CG-CD2 4.15Å; F453-F565 AromaticContact CG-CE1 3.76Å; F453-F565 HydrophobicContact CG-CE1 3.76Å; F453-F565 AromaticContact CG-CE2 3.63Å; F453-F565 HydrophobicContact CG-CE2 3.63Å; F453-F565 HydrophobicContact CG-CG 4.37Å; F453-F565 AromaticContact CG-CZ 3.43Å; F453-F565 HydrophobicContact CG-CZ 3.43Å; F453-F565 VanDerWaalsContact CG-CZ 3.43Å; F453-F565 HydrophobicContact CZ-CD1 4.05Å; F453-F565 HydrophobicContact CZ-CE1 4.37Å; F453-F565 HydrophobicContact CZ-CG 4.41Å
454	L	53.2	Low	54.2	Low	32 Å²	32	57.4 Å²	57.4	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-43.3	176.9	-77.6	165.3	0	0	0	110	E450 H456 A457 I458 S510 T564 F565	E450-L454 HydrophobicContact CG-CD1 4.19Å; E450-L454 VanDerWaalsContact O-CB 3.3Å; E450-L454 WeakPolarHBondContact O-CB 3.12Å; E450-L454 WeakPolarHBondContact O-CD1 3.4Å; E450-L454 VanDerWaalsContact O-CG 3.31Å; E450-L454 WeakPolarHBondContact O-CG 3.18Å; E450-L454 PolarHBondContact O-N 3.06Å; L454-H456 PolarHBondContact O-N 3.25Å; L454-H456 VanDerWaalsContact O-N 3.11Å; L454-A457 PolarHBondContact O-N 3.24Å; L454-I458 VanDerWaalsContact C-CD1 3.49Å; L454-I458 HydrophobicContact CB-CD1 4.02Å; L454-I458 HydrophobicContact CB-CG1 4.43Å; L454-I458 WeakPolarHBondContact O-CA 2.93Å; L454-I458 WeakPolarHBondContact O-CB 3.06Å; L454-I458 WeakPolarHBondContact O-CD1 3.41Å; L454-I458 WeakPolarHBondContact O-CG1 3.24Å; L454-I458 PolarHBondContact O-N 3.46Å; L454-S510 WeakPolarHBondContact CD1-OG 3.36Å; L454-T564 HydrophobicContact CD1-CG2 4.31Å; L454-T564 HydrophobicContact CD2-CG2 4.19Å; L454-F565 HydrophobicContact CD2-CE1 3.92Å; L454-F565 HydrophobicContact CD2-CZ 4.47Å; L454-F565 HydrophobicContact CG-CE1 3.85Å; L454-F565 HydrophobicContact CG-CZ 3.89Å
455	S	53	Low	55.7	Low	77 Å²	77	61.4 Å²	61.4	54%	0.538	32%	0.32	S	S	.	.	H	α-helix	trans	-56.3	-32.3	176	81	0	0	0	0	114	E451 L452 F453	E451-S455 PolarHBondContact O-N 3.22Å; L452-S455 PolarHBondContact O-N 2.98Å; L452-S455 PolarHBondContact O-OG 2.86Å; F453-S455 VanDerWaalsContact C-N 3.27Å; F453-S455 PolarHBondContact O-N 2.74Å
456	H	52.5	Low	57.1	Low	136 Å²	136	61.7 Å²	61.7	63%	0.63	32%	0.324	S	S	*	.	H	α-helix	trans	-87.5	-41.8	179.3	-120.1	86.3	0	0	0	113.4	F167 L452 F453 L454 I458	F167-H456 HydrophobicContact CE2-CB 3.57Å; F167-H456 AromaticContact CE2-CD2 3.39Å; F167-H456 WeakPolarHBondContact CE2-CD2 3.39Å; F167-H456 AromaticContact CE2-CG 3.39Å; F167-H456 HydrophobicContact CZ-CB 3.49Å; F167-H456 VanDerWaalsContact CZ-CB 3.49Å; F167-H456 AromaticContact CZ-CG 3.77Å; L452-H456 PolarHBondContact O-N 2.92Å; F453-H456 CarbonylContact O-C 3.53Å; F453-H456 PolarHBondContact O-N 3.38Å; L454-H456 PolarHBondContact O-N 3.25Å; L454-H456 VanDerWaalsContact O-N 3.11Å; H456-I458 VanDerWaalsContact C-N 3.33Å
457	A	51.1	Low	58.8	Low	17 Å²	17	61.1 Å²	61.1	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-80.3	-10.6	178.7	0	0	0	0	0	112.7	F453 L454 G459 I460	F453-A457 HydrophobicContact CD1-CB 3.5Å; F453-A457 VanDerWaalsContact CD1-CB 3.5Å; F453-A457 HydrophobicContact CE1-CB 3.13Å; F453-A457 HydrophobicContact CE2-CB 4.34Å; F453-A457 HydrophobicContact CG-CB 4.35Å; F453-A457 HydrophobicContact CZ-CB 3.6Å; F453-A457 VanDerWaalsContact O-CB 3.24Å; F453-A457 WeakPolarHBondContact O-CB 3.37Å; F453-A457 PolarHBondContact O-N 3.48Å; L454-A457 PolarHBondContact O-N 3.24Å; A457-G459 PolarHBondContact O-N 2.04Å; A457-I460 HydrophobicContact CB-CD1 4.4Å; A457-I460 WeakPolarHBondContact O-CA 2.88Å; A457-I460 WeakPolarHBondContact O-CB 3.11Å; A457-I460 VanDerWaalsContact O-CG1 3.3Å; A457-I460 WeakPolarHBondContact O-CG1 3.02Å; A457-I460 PolarHBondContact O-N 3.44Å
458	I	46.6	Very low	60.7	Low	104 Å²	104	63 Å²	63	53%	0.533	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-4.3	172.4	-81.8	161.8	0	0	0	112.1	L454 H456 I460	L454-I458 VanDerWaalsContact C-CD1 3.49Å; L454-I458 HydrophobicContact CB-CD1 4.02Å; L454-I458 HydrophobicContact CB-CG1 4.43Å; L454-I458 WeakPolarHBondContact O-CA 2.93Å; L454-I458 WeakPolarHBondContact O-CB 3.06Å; L454-I458 WeakPolarHBondContact O-CD1 3.41Å; L454-I458 WeakPolarHBondContact O-CG1 3.24Å; L454-I458 PolarHBondContact O-N 3.46Å; H456-I458 VanDerWaalsContact C-N 3.33Å; I458-I460 PolarHBondContact O-N 2.81Å
459	G	43.4	Very low	62.6	Low	63 Å²	63	68.1 Å²	68.1	65%	0.649	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.9	157	0	0	0	0	0	113.9	A457 R461	A457-G459 PolarHBondContact O-N 2.04Å; G459-R461 PolarHBondContact O-N 3.14Å
460	I	48.6	Very low	64.4	Low	70 Å²	70	68 Å²	68	36%	0.359	35%	0.354	S	S	.	.			trans	-88	80.1	177.7	-52	174.4	0	0	0	107.9	A457 I458 I462	A457-I460 HydrophobicContact CB-CD1 4.4Å; A457-I460 WeakPolarHBondContact O-CA 2.88Å; A457-I460 WeakPolarHBondContact O-CB 3.11Å; A457-I460 VanDerWaalsContact O-CG1 3.3Å; A457-I460 WeakPolarHBondContact O-CG1 3.02Å; A457-I460 PolarHBondContact O-N 3.44Å; I458-I460 PolarHBondContact O-N 2.81Å; I460-I462 HydrophobicContact CG2-CB 4.09Å; I460-I462 HydrophobicContact CG2-CD1 3.43Å; I460-I462 VanDerWaalsContact CG2-CD1 3.43Å; I460-I462 HydrophobicContact CG2-CG1 3.55Å; I460-I462 PolarHBondContact O-N 3.19Å
461	R	50.2	Low	66.3	Low	239 Å²	239	68 Å²	68	90%	0.902	35%	0.354	S	S	*	.			trans	-70.2	62.2	161.7	-84.3	-177	169.4	-158.8	-3.6	109.8	G459 D463	G459-R461 PolarHBondContact O-N 3.14Å; R461-D463 PolarHBondContact O-N 2.96Å
462	I	54.5	Low	68.3	Low	30 Å²	30	66.1 Å²	66.1	15%	0.154	35%	0.345	C	S	.	.			trans	-77	112.1	159.8	-73.3	170	0	0	0	105.4	I460 N464 L585 L590	I460-I462 HydrophobicContact CG2-CB 4.09Å; I460-I462 HydrophobicContact CG2-CD1 3.43Å; I460-I462 VanDerWaalsContact CG2-CD1 3.43Å; I460-I462 HydrophobicContact CG2-CG1 3.55Å; I460-I462 PolarHBondContact O-N 3.19Å; I462-N464 PolarHBondContact O-N 3.22Å; I462-N464 VanDerWaalsContact O-N 3.08Å; I462-L585 WeakPolarHBondContact CD1-O 3.32Å; I462-L585 HydrophobicContact CG2-CB 4.28Å; I462-L590 HydrophobicContact CD1-CB 4.44Å; I462-L590 HydrophobicContact CD1-CG 4.06Å; I462-L590 WeakPolarHBondContact CD1-O 3.33Å; I462-L590 HydrophobicContact CG2-CD2 3.26Å; I462-L590 HydrophobicContact CG2-CG 3.79Å
463	D	62.7	Low	70.2	Confident	88 Å²	88	67.4 Å²	67.4	47%	0.471	35%	0.35	S	S	.	.			trans	-67	105	-166.6	-164.5	-1.5	0	0	0	109.6	R461 D465 C466 V467	R461-D463 PolarHBondContact O-N 2.96Å; D463-D465 PolarHBondContact O-N 3.37Å; D463-D465 VanDerWaalsContact OD1-CB 3.24Å; D463-D465 WeakPolarHBondContact OD1-CB 3.45Å; D463-D465 PolarHBondContact OD1-N 3.44Å; D463-C466 HydrophobicContact CB-CB 3.86Å; D463-C466 WeakPolarHBondContact O-CA 3.43Å; D463-C466 VanDerWaalsContact O-CB 3.25Å; D463-C466 WeakPolarHBondContact O-CB 3.46Å; D463-C466 PolarHBondContact O-N 2.9Å; D463-V467 PolarHBondContact O-N 3.1Å
464	N	76.9	Confident	72.1	Confident	65 Å²	65	66.6 Å²	66.6	35%	0.348	35%	0.347	S	S	.	.	H	α-helix	trans	-47.3	-35.9	171.1	-76.6	-9.4	0	0	0	110.2	I462 C466 V467 L468 I507	I462-N464 PolarHBondContact O-N 3.22Å; I462-N464 VanDerWaalsContact O-N 3.08Å; N464-C466 VanDerWaalsContact C-N 3.33Å; N464-C466 PolarHBondContact O-N 3.47Å; N464-V467 PolarHBondContact O-N 3.07Å; N464-L468 WeakPolarHBondContact O-CB 3.4Å; N464-L468 VanDerWaalsContact O-CG 3.25Å; N464-L468 WeakPolarHBondContact O-CG 3.38Å; N464-L468 PolarHBondContact O-N 3.3Å; N464-I507 HydrophobicContact CB-CD1 3.88Å
465	D	82.8	Confident	74.1	Confident	110 Å²	110	65.6 Å²	65.6	59%	0.588	34%	0.341	S	S	*	.	H	α-helix	trans	-64.8	-36.4	178.8	-57	-20.3	0	0	0	111.6	D463 V467 Q469	D463-D465 PolarHBondContact O-N 3.37Å; D463-D465 VanDerWaalsContact OD1-CB 3.24Å; D463-D465 WeakPolarHBondContact OD1-CB 3.45Å; D463-D465 PolarHBondContact OD1-N 3.44Å; D465-V467 PolarHBondContact O-N 3.42Å; D465-Q469 WeakPolarHBondContact O-CB 3.47Å; D465-Q469 PolarHBondContact O-N 3.5Å
466	C	87.4	Confident	76	Confident	22 Å²	22	65.5 Å²	65.5	15%	0.149	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-42	175	179.3	0	0	0	0	111.6	D463 N464 Q469 M470 K599	D463-C466 HydrophobicContact CB-CB 3.86Å; D463-C466 WeakPolarHBondContact O-CA 3.43Å; D463-C466 VanDerWaalsContact O-CB 3.25Å; D463-C466 WeakPolarHBondContact O-CB 3.46Å; D463-C466 PolarHBondContact O-N 2.9Å; N464-C466 VanDerWaalsContact C-N 3.33Å; N464-C466 PolarHBondContact O-N 3.47Å; C466-Q469 PolarHBondContact O-N 3.07Å; C466-M470 VanDerWaalsContact O-CG 3.25Å; C466-M470 WeakPolarHBondContact O-CG 3.22Å; C466-M470 PolarHBondContact O-N 3.21Å; C466-K599 PolarHBondContact SG-NZ 2.84Å; C466-K599 VanDerWaalsContact SG-NZ 3.36Å
467	V	89.8	Confident	78	Confident	1 Å²	1	60 Å²	60	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-72.9	-41.1	-178.7	-178.5	0	0	0	0	110.9	D463 N464 D465 Q469 M470 F471 L505 I507 I580 L585 L590 I607	D463-V467 PolarHBondContact O-N 3.1Å; N464-V467 PolarHBondContact O-N 3.07Å; D465-V467 PolarHBondContact O-N 3.42Å; V467-Q469 VanDerWaalsContact C-N 3.31Å; V467-Q469 PolarHBondContact O-N 3.3Å; V467-M470 PolarHBondContact O-N 3.1Å; V467-F471 PolarHBondContact O-N 3.06Å; V467-L505 HydrophobicContact CG1-CD2 4.1Å; V467-I507 HydrophobicContact CB-CD1 4.35Å; V467-I580 HydrophobicContact CG1-CD1 3.66Å; V467-L585 HydrophobicContact CG1-CD2 4.21Å; V467-L585 HydrophobicContact CG2-CD2 3.74Å; V467-L590 HydrophobicContact CG2-CD2 4.03Å; V467-I607 HydrophobicContact CG1-CD1 3.68Å
468	L	91.9	Very high	80	Confident	66 Å²	66	59.2 Å²	59.2	35%	0.346	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-41.2	173.2	-68.8	171.9	0	0	0	111.2	N464 F471 E472 L505 I507	N464-L468 WeakPolarHBondContact O-CB 3.4Å; N464-L468 VanDerWaalsContact O-CG 3.25Å; N464-L468 WeakPolarHBondContact O-CG 3.38Å; N464-L468 PolarHBondContact O-N 3.3Å; L468-F471 WeakPolarHBondContact O-CB 3.47Å; L468-F471 PolarHBondContact O-N 3.39Å; L468-E472 PolarHBondContact O-N 3.42Å; L468-E472 VanDerWaalsContact O-N 3.15Å; L468-L505 HydrophobicContact CD2-CB 4.15Å; L468-L505 HydrophobicContact CD2-CD2 4.2Å; L468-L505 HydrophobicContact CD2-CG 4.23Å; L468-L505 WeakPolarHBondContact CD2-O 3.39Å; L468-I507 HydrophobicContact CD2-CD1 4.42Å; L468-I507 HydrophobicContact CD2-CG1 4.48Å; L468-I507 HydrophobicContact CG-CD1 4.23Å
469	Q	92.9	Very high	82.2	Confident	115 Å²	115	54.8 Å²	54.8	54%	0.537	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-46.3	175.2	-177.3	-178.5	-12.3	0	0	111.8	D465 C466 V467 F471 E472 E473	D465-Q469 WeakPolarHBondContact O-CB 3.47Å; D465-Q469 PolarHBondContact O-N 3.5Å; C466-Q469 PolarHBondContact O-N 3.07Å; V467-Q469 VanDerWaalsContact C-N 3.31Å; V467-Q469 PolarHBondContact O-N 3.3Å; Q469-F471 PolarHBondContact O-N 3.01Å; Q469-E472 PolarHBondContact O-N 3.49Å; Q469-E472 VanDerWaalsContact O-N 3.1Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.2Å; Q469-E473 PolarHBondContact NE2-OE1 3.39Å; Q469-E473 WeakPolarHBondContact O-CG 3.31Å; Q469-E473 PolarHBondContact O-N 3.15Å
470	M	93.9	Very high	84.5	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-56.4	-38	175.5	-73.1	172.7	67.2	0	0	111.7	C466 V467 E473 L474 M596 K599 Y600 I603	C466-M470 VanDerWaalsContact O-CG 3.25Å; C466-M470 WeakPolarHBondContact O-CG 3.22Å; C466-M470 PolarHBondContact O-N 3.21Å; V467-M470 PolarHBondContact O-N 3.1Å; M470-E473 PolarHBondContact O-N 2.97Å; M470-L474 VanDerWaalsContact O-CG 3.24Å; M470-L474 WeakPolarHBondContact O-CG 3.4Å; M470-L474 PolarHBondContact O-N 2.95Å; M470-M596 HydrophobicContact CG-CE 4.23Å; M470-M596 HydrophobicContact SD-CE 4.45Å; M470-K599 HydrophobicContact CE-CB 3.93Å; M470-K599 HydrophobicContact SD-CB 4.1Å; M470-K599 HydrophobicContact SD-CD 4.41Å; M470-Y600 HydrophobicContact CB-CE1 4.32Å; M470-Y600 HydrophobicContact CE-CD1 3.77Å; M470-Y600 HydrophobicContact CE-CD2 4.2Å; M470-Y600 HydrophobicContact CE-CE1 3.84Å; M470-Y600 HydrophobicContact CE-CE2 4.3Å; M470-Y600 HydrophobicContact CE-CG 3.92Å; M470-Y600 HydrophobicContact CG-CE1 4.31Å; M470-Y600 HydrophobicContact CG-CE2 4.3Å; M470-I603 HydrophobicContact CE-CG2 3.97Å; M470-I603 HydrophobicContact SD-CG2 4.41Å
471	F	95.4	Very high	86.4	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-42.5	175.8	178.2	-112.8	0	0	0	113.3	V467 L468 Q469 E473 L474 K475 F503 L505 I578 I607 L611	V467-F471 PolarHBondContact O-N 3.06Å; L468-F471 WeakPolarHBondContact O-CB 3.47Å; L468-F471 PolarHBondContact O-N 3.39Å; Q469-F471 PolarHBondContact O-N 3.01Å; F471-E473 VanDerWaalsContact C-N 3.33Å; F471-L474 PolarHBondContact O-N 3.32Å; F471-K475 HydrophobicContact CD1-CD 4.39Å; F471-K475 HydrophobicContact CE1-CD 3.73Å; F471-K475 VanDerWaalsContact CE1-CE 3.49Å; F471-K475 HydrophobicContact CE1-CG 4.33Å; F471-K475 HydrophobicContact CE2-CD 4.44Å; F471-K475 HydrophobicContact CE2-CG 4.26Å; F471-K475 HydrophobicContact CZ-CD 3.77Å; F471-K475 HydrophobicContact CZ-CG 4.09Å; F471-K475 PolarHBondContact O-N 2.91Å; F471-F503 WeakPolarHBondContact CE1-O 3.25Å; F471-F503 HydrophobicContact CZ-CB 3.95Å; F471-L505 HydrophobicContact CB-CB 4.19Å; F471-L505 HydrophobicContact CB-CD2 3.68Å; F471-L505 HydrophobicContact CD1-CB 3.4Å; F471-L505 HydrophobicContact CD2-CB 4.25Å; F471-L505 HydrophobicContact CE1-CB 3.72Å; F471-L505 HydrophobicContact CG-CB 3.67Å; F471-L505 HydrophobicContact CG-CD2 3.99Å; F471-L505 HydrophobicContact CG-CG 4.39Å; F471-L505 HydrophobicContact CZ-CB 4.26Å; F471-I578 HydrophobicContact CE2-CD1 3.88Å; F471-I578 HydrophobicContact CZ-CD1 4.24Å; F471-I607 HydrophobicContact CB-CG2 4.32Å; F471-I607 HydrophobicContact CD2-CG2 3.45Å; F471-I607 VanDerWaalsContact CD2-CG2 3.45Å; F471-I607 HydrophobicContact CE2-CG2 4.22Å; F471-I607 HydrophobicContact CG-CG2 4.33Å; F471-L611 HydrophobicContact CE2-CD1 4.28Å; F471-L611 HydrophobicContact CE2-CD2 4.29Å
472	E	95.9	Very high	88.2	Confident	96 Å²	96	42.4 Å²	42.4	45%	0.449	22%	0.223	S	C	.	.	H	α-helix	trans	-64.5	-37.5	174.6	-65.3	-58	143.9	0	0	112.1	L468 Q469 K475 T476	L468-E472 PolarHBondContact O-N 3.42Å; L468-E472 VanDerWaalsContact O-N 3.15Å; Q469-E472 PolarHBondContact O-N 3.49Å; Q469-E472 VanDerWaalsContact O-N 3.1Å; E472-K475 PolarHBondContact O-N 2.89Å; E472-K475 VanDerWaalsContact OE1-CE 3.24Å; E472-K475 WeakPolarHBondContact OE1-CE 3.34Å; E472-K475 IonicContact OE1-NZ 3.7Å; E472-K475 PolarHBondContact OE1-NZ 3.31Å; E472-K475 WeakPolarHBondContact OE2-CE 3.47Å; E472-K475 IonicContact OE2-NZ 2.68Å; E472-K475 PolarHBondContact OE2-NZ 3.18Å; E472-T476 PolarHBondContact O-N 3.45Å; E472-T476 PolarHBondContact O-OG1 2.94Å
473	E	95.1	Very high	89.8	Confident	64 Å²	64	44 Å²	44	30%	0.299	24%	0.238	S	C	.	.	H	α-helix	trans	-65.4	-40.9	175	-71.1	174.6	-165.8	0	0	111.9	Q469 M470 F471 T476 T477 Y600 T676	Q469-E473 WeakPolarHBondContact CG-OE1 3.2Å; Q469-E473 PolarHBondContact NE2-OE1 3.39Å; Q469-E473 WeakPolarHBondContact O-CG 3.31Å; Q469-E473 PolarHBondContact O-N 3.15Å; M470-E473 PolarHBondContact O-N 2.97Å; F471-E473 VanDerWaalsContact C-N 3.33Å; E473-T476 PolarHBondContact O-N 3.27Å; E473-T477 WeakPolarHBondContact O-CB 3.16Å; E473-T477 PolarHBondContact O-N 3.3Å; E473-T477 PolarHBondContact O-OG1 2.96Å; E473-Y600 WeakPolarHBondContact CB-OH 3.2Å; E473-Y600 PolarHBondContact OE2-OH 3.25Å; E473-T676 HydrophobicContact CB-CG2 3.7Å
474	L	95.4	Very high	90.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-46	173.2	-72.2	165.4	0	0	0	111.5	M470 F471 T476 T477 L478 Y600 I607 L672 T676	M470-L474 VanDerWaalsContact O-CG 3.24Å; M470-L474 WeakPolarHBondContact O-CG 3.4Å; M470-L474 PolarHBondContact O-N 2.95Å; F471-L474 PolarHBondContact O-N 3.32Å; L474-T476 VanDerWaalsContact C-N 3.32Å; L474-T476 PolarHBondContact O-N 2.89Å; L474-T477 PolarHBondContact O-N 3.01Å; L474-L478 WeakPolarHBondContact O-CB 2.88Å; L474-L478 PolarHBondContact O-N 3.27Å; L474-Y600 HydrophobicContact CD2-CE1 4.34Å; L474-Y600 HydrophobicContact CG-CE1 4.35Å; L474-I607 HydrophobicContact CD1-CB 3.96Å; L474-I607 HydrophobicContact CD1-CG2 3.59Å; L474-L672 HydrophobicContact CD2-CD2 4.35Å; L474-L672 HydrophobicContact CD2-CG 3.89Å; L474-T676 HydrophobicContact CD2-CG2 4.44Å
475	K	95.4	Very high	91.1	Very high	10 Å²	10	40 Å²	40	4%	0.043	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-39.6	176.6	-76.1	-170	-64	175.4	0	112.7	F471 E472 L478 S479 A500 F503 L611	F471-K475 HydrophobicContact CD1-CD 4.39Å; F471-K475 HydrophobicContact CE1-CD 3.73Å; F471-K475 VanDerWaalsContact CE1-CE 3.49Å; F471-K475 HydrophobicContact CE1-CG 4.33Å; F471-K475 HydrophobicContact CE2-CD 4.44Å; F471-K475 HydrophobicContact CE2-CG 4.26Å; F471-K475 HydrophobicContact CZ-CD 3.77Å; F471-K475 HydrophobicContact CZ-CG 4.09Å; F471-K475 PolarHBondContact O-N 2.91Å; E472-K475 PolarHBondContact O-N 2.89Å; E472-K475 VanDerWaalsContact OE1-CE 3.24Å; E472-K475 WeakPolarHBondContact OE1-CE 3.34Å; E472-K475 IonicContact OE1-NZ 3.7Å; E472-K475 PolarHBondContact OE1-NZ 3.31Å; E472-K475 WeakPolarHBondContact OE2-CE 3.47Å; E472-K475 IonicContact OE2-NZ 2.68Å; E472-K475 PolarHBondContact OE2-NZ 3.18Å; K475-L478 PolarHBondContact O-N 3.49Å; K475-S479 WeakPolarHBondContact O-CB 3.47Å; K475-S479 PolarHBondContact O-N 3.28Å; K475-S479 PolarHBondContact O-OG 2.68Å; K475-A500 VanDerWaalsContact CD-O 3.29Å; K475-A500 WeakPolarHBondContact CD-O 3.4Å; K475-F503 PolarHBondContact NZ-O 2.81Å; K475-L611 HydrophobicContact CG-CD2 3.97Å
476	T	94.5	Very high	90.8	Very high	75 Å²	75	39.7 Å²	39.7	46%	0.46	23%	0.227	S	C	.	.	H	α-helix	trans	-64.5	-50.1	176.6	-57	0	0	0	0	110.4	E472 E473 L474 L478 S479 D480	E472-T476 PolarHBondContact O-N 3.45Å; E472-T476 PolarHBondContact O-OG1 2.94Å; E473-T476 PolarHBondContact O-N 3.27Å; L474-T476 VanDerWaalsContact C-N 3.32Å; L474-T476 PolarHBondContact O-N 2.89Å; T476-L478 PolarHBondContact O-N 3.14Å; T476-S479 WeakPolarHBondContact O-CB 3.43Å; T476-S479 PolarHBondContact O-N 3.31Å; T476-S479 VanDerWaalsContact O-N 3.09Å; T476-D480 PolarHBondContact O-N 3.39Å
477	T	94.2	Very high	90.2	Very high	21 Å²	21	43.6 Å²	43.6	13%	0.129	24%	0.239	C	C	.	.	H	α-helix	trans	-58.8	-38.6	177.8	-54.8	0	0	0	0	111.9	E473 L474 S481 L672 K675 T676	E473-T477 WeakPolarHBondContact O-CB 3.16Å; E473-T477 PolarHBondContact O-N 3.3Å; E473-T477 PolarHBondContact O-OG1 2.96Å; L474-T477 PolarHBondContact O-N 3.01Å; T477-S481 WeakPolarHBondContact O-CB 2.96Å; T477-S481 PolarHBondContact O-N 3.32Å; T477-S481 PolarHBondContact O-OG 3.31Å; T477-L672 HydrophobicContact CG2-CD1 3.95Å; T477-K675 HydrophobicContact CG2-CB 4.01Å; T477-K675 HydrophobicContact CG2-CD 3.92Å; T477-K675 HydrophobicContact CG2-CG 3.75Å; T477-T676 WeakPolarHBondContact CB-OG1 3.3Å; T477-T676 WeakPolarHBondContact CG2-OG1 3.24Å; T477-T676 WeakPolarHBondContact OG1-CB 3.5Å; T477-T676 PolarHBondContact OG1-OG1 3.48Å
478	L	92.5	Very high	89.5	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-49.7	174.8	173.4	50.5	0	0	0	111.2	L474 K475 T476 D480 S481 L482 A500 L611 V615 L672 W752	L474-L478 WeakPolarHBondContact O-CB 2.88Å; L474-L478 PolarHBondContact O-N 3.27Å; K475-L478 PolarHBondContact O-N 3.49Å; T476-L478 PolarHBondContact O-N 3.14Å; L478-D480 VanDerWaalsContact C-N 3.3Å; L478-D480 PolarHBondContact O-N 3.23Å; L478-S481 WeakPolarHBondContact O-CB 3.4Å; L478-S481 PolarHBondContact O-N 2.84Å; L478-S481 VanDerWaalsContact O-N 3.17Å; L478-L482 HydrophobicContact CD1-CD1 3.72Å; L478-L482 HydrophobicContact CD1-CG 3.88Å; L478-L482 HydrophobicContact CG-CD1 3.94Å; L478-L482 WeakPolarHBondContact O-CG 3Å; L478-L482 PolarHBondContact O-N 3.49Å; L478-A500 HydrophobicContact CD2-CB 3.69Å; L478-A500 HydrophobicContact CG-CB 4.1Å; L478-L611 HydrophobicContact CD2-CD2 3.95Å; L478-L611 HydrophobicContact CD2-CG 4.04Å; L478-V615 HydrophobicContact CD2-CG2 4.34Å; L478-L672 HydrophobicContact CB-CD1 3.91Å; L478-L672 HydrophobicContact CB-CD2 4.33Å; L478-W752 HydrophobicContact CD1-CE3 3.52Å; L478-W752 HydrophobicContact CD1-CH2 3.83Å; L478-W752 HydrophobicContact CD1-CZ3 3.04Å; L478-W752 HydrophobicContact CD2-CZ3 4.25Å; L478-W752 HydrophobicContact CG-CZ3 4.27Å
479	S	92.6	Very high	89	Confident	11 Å²	11	47.8 Å²	47.8	8%	0.077	26%	0.255	C	S	.	.	H	α-helix	trans	-58.4	-42	178	-64.7	0	0	0	0	112.3	K475 T476 L482 S483 N501	K475-S479 WeakPolarHBondContact O-CB 3.47Å; K475-S479 PolarHBondContact O-N 3.28Å; K475-S479 PolarHBondContact O-OG 2.68Å; T476-S479 WeakPolarHBondContact O-CB 3.43Å; T476-S479 PolarHBondContact O-N 3.31Å; T476-S479 VanDerWaalsContact O-N 3.09Å; S479-L482 PolarHBondContact O-N 3.08Å; S479-S483 WeakPolarHBondContact O-CB 3.49Å; S479-S483 PolarHBondContact O-N 3.27Å; S479-S483 PolarHBondContact O-OG 3.26Å; S479-N501 PolarHBondContact OG-ND2 3.44Å; S479-N501 PolarHBondContact OG-OD1 3Å
480	D	91.2	Very high	88.7	Confident	100 Å²	100	47.8 Å²	47.8	54%	0.535	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-41.9	177.2	-69.7	-17.6	0	0	0	111.4	T476 L478 S483 S484	T476-D480 PolarHBondContact O-N 3.39Å; L478-D480 VanDerWaalsContact C-N 3.3Å; L478-D480 PolarHBondContact O-N 3.23Å; D480-S483 PolarHBondContact O-N 2.93Å; D480-S484 PolarHBondContact O-N 3.48Å; D480-S484 VanDerWaalsContact O-N 3.08Å; D480-S484 PolarHBondContact O-OG 2.96Å
481	S	89	Confident	88.3	Confident	11 Å²	11	53.2 Å²	53.2	8%	0.077	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-47.1	176.6	-56.6	0	0	0	0	111.4	T477 L478 S483 S484 M485 K675	T477-S481 WeakPolarHBondContact O-CB 2.96Å; T477-S481 PolarHBondContact O-N 3.32Å; T477-S481 PolarHBondContact O-OG 3.31Å; L478-S481 WeakPolarHBondContact O-CB 3.4Å; L478-S481 PolarHBondContact O-N 2.84Å; L478-S481 VanDerWaalsContact O-N 3.17Å; S481-S483 VanDerWaalsContact C-N 3.28Å; S481-S483 PolarHBondContact O-N 2.82Å; S481-S484 PolarHBondContact O-N 3.28Å; S481-S484 PolarHBondContact O-OG 3.3Å; S481-M485 WeakPolarHBondContact O-CE 3.14Å; S481-M485 WeakPolarHBondContact O-CG 3.21Å; S481-M485 PolarHBondContact O-N 3.13Å; S481-K675 PolarHBondContact OG-NZ 2.91Å
482	L	87.9	Confident	87.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-36.9	176.4	-71.1	167	0	0	0	112	L478 S479 M485 L488 I497 W752	L478-L482 HydrophobicContact CD1-CD1 3.72Å; L478-L482 HydrophobicContact CD1-CG 3.88Å; L478-L482 HydrophobicContact CG-CD1 3.94Å; L478-L482 WeakPolarHBondContact O-CG 3Å; L478-L482 PolarHBondContact O-N 3.49Å; S479-L482 PolarHBondContact O-N 3.08Å; L482-M485 HydrophobicContact CD2-CE 3.88Å; L482-M485 HydrophobicContact CD2-SD 4.28Å; L482-M485 HydrophobicContact CG-CE 4.36Å; L482-L488 HydrophobicContact CD2-CD1 4.16Å; L482-I497 HydrophobicContact CB-CD1 4.24Å; L482-I497 HydrophobicContact CB-CG1 3.75Å; L482-I497 HydrophobicContact CD1-CG1 4.08Å; L482-W752 HydrophobicContact CD2-CD2 4.17Å; L482-W752 HydrophobicContact CD2-CZ2 4.29Å
483	S	88.2	Confident	87.2	Confident	65 Å²	65	52.6 Å²	52.6	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-67.7	-36.1	178.6	-60.7	0	0	0	0	112.5	S479 D480 S481 M485 I497	S479-S483 WeakPolarHBondContact O-CB 3.49Å; S479-S483 PolarHBondContact O-N 3.27Å; S479-S483 PolarHBondContact O-OG 3.26Å; D480-S483 PolarHBondContact O-N 2.93Å; S481-S483 VanDerWaalsContact C-N 3.28Å; S481-S483 PolarHBondContact O-N 2.82Å; S483-M485 VanDerWaalsContact C-N 3.35Å; S483-I497 VanDerWaalsContact OG-CD1 3.27Å; S483-I497 WeakPolarHBondContact OG-CD1 3.13Å
484	S	85.1	Confident	86.9	Confident	67 Å²	67	55.1 Å²	55.1	47%	0.469	29%	0.291	S	S	.	.	H	α-helix	trans	-78	-14.1	-178.6	65.1	0	0	0	0	114.3	D480 S481 S486	D480-S484 PolarHBondContact O-N 3.48Å; D480-S484 VanDerWaalsContact O-N 3.08Å; D480-S484 PolarHBondContact O-OG 2.96Å; S481-S484 PolarHBondContact O-N 3.28Å; S481-S484 PolarHBondContact O-OG 3.3Å; S484-S486 PolarHBondContact O-N 3.4Å
485	M	81	Confident	86.5	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.01	32%	0.319	C	S	.	.			trans	-66	122.1	-177	-73	174.8	-147.6	0	0	112.2	S481 L482 S483 W487 L488 K493 W752	S481-M485 WeakPolarHBondContact O-CE 3.14Å; S481-M485 WeakPolarHBondContact O-CG 3.21Å; S481-M485 PolarHBondContact O-N 3.13Å; L482-M485 HydrophobicContact CD2-CE 3.88Å; L482-M485 HydrophobicContact CD2-SD 4.28Å; L482-M485 HydrophobicContact CG-CE 4.36Å; S483-M485 VanDerWaalsContact C-N 3.35Å; M485-W487 HydrophobicContact SD-CZ2 3.82Å; M485-L488 HydrophobicContact CB-CD1 4.17Å; M485-L488 HydrophobicContact CB-CG 4.38Å; M485-L488 HydrophobicContact SD-CD1 3.52Å; M485-L488 VanDerWaalsContact SD-CD1 3.52Å; M485-L488 HydrophobicContact SD-CG 4.23Å; M485-K493 WeakPolarHBondContact O-CE 3.47Å; M485-K493 PolarHBondContact O-NZ 3.05Å; M485-W752 HydrophobicContact CE-CB 3.07Å; M485-W752 HydrophobicContact CE-CD2 4.14Å; M485-W752 HydrophobicContact CE-CG 3.33Å; M485-W752 HydrophobicContact SD-CB 4.08Å; M485-W752 HydrophobicContact SD-CG 4.06Å
486	S	76.7	Confident	86.1	Confident	102 Å²	102	60.7 Å²	60.7	71%	0.713	32%	0.32	S	S	*	.	S	Bend	trans	-77	-21.3	-179.5	56.3	0	0	0	0	114.1	S484	S484-S486 PolarHBondContact O-N 3.4Å
487	W	75.2	Confident	85.9	Confident	105 Å²	105	58.6 Å²	58.6	40%	0.398	31%	0.305	S	S	.	.	S	Bend	trans	-96.3	-19.5	-170.7	59.1	-96.5	0	0	0	114.6	M485 D638	M485-W487 HydrophobicContact SD-CZ2 3.82Å; W487-D638 HydrophobicContact CH2-CB 3.83Å; W487-D638 WeakPolarHBondContact CH2-OD2 3.35Å; W487-D638 HydrophobicContact CZ3-CB 4.27Å; W487-D638 WeakPolarHBondContact CZ3-OD1 3.16Å; W487-D638 WeakPolarHBondContact CZ3-OD2 3.31Å
488	L	74.9	Confident	85.8	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.037	33%	0.327	C	S	.	.	S	Bend	trans	-73.2	139.7	172.3	-76	174	0	0	0	110.8	L482 M485 E492 K493 Y496	L482-L488 HydrophobicContact CD2-CD1 4.16Å; M485-L488 HydrophobicContact CB-CD1 4.17Å; M485-L488 HydrophobicContact CB-CG 4.38Å; M485-L488 HydrophobicContact SD-CD1 3.52Å; M485-L488 VanDerWaalsContact SD-CD1 3.52Å; M485-L488 HydrophobicContact SD-CG 4.23Å; L488-E492 HydrophobicContact CD2-CB 4.39Å; L488-K493 HydrophobicContact CB-CD 4.37Å; L488-K493 HydrophobicContact CB-CG 3.52Å; L488-K493 HydrophobicContact CD1-CG 4.15Å; L488-K493 WeakPolarHBondContact O-CE 3.5Å; L488-Y496 HydrophobicContact CD1-CD2 4.45Å; L488-Y496 HydrophobicContact CD2-CE2 4.19Å
489	K	82.9	Confident	85.6	Confident	148 Å²	148	63.9 Å²	63.9	64%	0.643	33%	0.333	S	S	*	.			trans	-68.9	147.9	171	-65.5	172	-174.5	160.1	0	109.7	D491 E492 K493	K489-D491 PolarHBondContact O-N 3.26Å; K489-D491 VanDerWaalsContact O-N 3.12Å; K489-E492 HydrophobicContact CB-CG 4.31Å; K489-E492 WeakPolarHBondContact CB-OE2 3.21Å; K489-E492 PolarHBondContact N-OE2 3.45Å; K489-E492 WeakPolarHBondContact O-CA 3.03Å; K489-E492 WeakPolarHBondContact O-CB 3.08Å; K489-E492 PolarHBondContact O-N 3.38Å; K489-K493 PolarHBondContact O-N 3.37Å
490	E	85.9	Confident	85.5	Confident	115 Å²	115	63.4 Å²	63.4	54%	0.537	33%	0.329	S	S	.	.	H	α-helix	trans	-55.8	-34.1	-177.6	-72.8	-59.2	133.9	0	0	113.9	K493 K494	E490-K493 IonicContact OE1-NZ 3.32Å; E490-K493 PolarHBondContact OE1-NZ 3.21Å; E490-K494 WeakPolarHBondContact O-CG 3.43Å; E490-K494 PolarHBondContact O-N 2.94Å; E490-K494 VanDerWaalsContact O-N 3.14Å
491	D	84.8	Confident	85.7	Confident	116 Å²	116	62.1 Å²	62.1	62%	0.62	32%	0.323	S	S	*	.	H	α-helix	trans	-71.6	-37.1	176.2	-65.9	-29.7	0	0	0	112.2	K489 K494 N495	K489-D491 PolarHBondContact O-N 3.26Å; K489-D491 VanDerWaalsContact O-N 3.12Å; D491-K494 PolarHBondContact O-N 2.81Å; D491-N495 PolarHBondContact O-N 2.89Å; D491-N495 VanDerWaalsContact O-N 3.07Å; D491-N495 PolarHBondContact O-ND2 3.18Å
492	E	82.6	Confident	85.9	Confident	66 Å²	66	63.2 Å²	63.2	31%	0.308	33%	0.33	S	S	.	.	H	α-helix	trans	-68.3	-43.1	175.9	-68.4	168.1	162.7	0	0	111.1	L488 K489 K494 N495 Y496	L488-E492 HydrophobicContact CD2-CB 4.39Å; K489-E492 HydrophobicContact CB-CG 4.31Å; K489-E492 WeakPolarHBondContact CB-OE2 3.21Å; K489-E492 PolarHBondContact N-OE2 3.45Å; K489-E492 WeakPolarHBondContact O-CA 3.03Å; K489-E492 WeakPolarHBondContact O-CB 3.08Å; K489-E492 PolarHBondContact O-N 3.38Å; E492-K494 VanDerWaalsContact C-N 3.34Å; E492-K494 PolarHBondContact O-N 3.39Å; E492-N495 PolarHBondContact O-N 2.89Å; E492-N495 VanDerWaalsContact O-N 3.16Å; E492-Y496 VanDerWaalsContact O-CD2 3.23Å; E492-Y496 WeakPolarHBondContact O-CD2 3.31Å; E492-Y496 PolarHBondContact O-N 3.24Å
493	K	85.9	Confident	86.1	Confident	19 Å²	19	63.2 Å²	63.2	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-54.1	-51.5	173.3	-67.8	-177	-170.1	175.7	0	111.1	M485 L488 K489 E490 N495 Y496 I497	M485-K493 WeakPolarHBondContact O-CE 3.47Å; M485-K493 PolarHBondContact O-NZ 3.05Å; L488-K493 HydrophobicContact CB-CD 4.37Å; L488-K493 HydrophobicContact CB-CG 3.52Å; L488-K493 HydrophobicContact CD1-CG 4.15Å; L488-K493 WeakPolarHBondContact O-CE 3.5Å; K489-K493 PolarHBondContact O-N 3.37Å; E490-K493 IonicContact OE1-NZ 3.32Å; E490-K493 PolarHBondContact OE1-NZ 3.21Å; K493-N495 VanDerWaalsContact C-N 3.28Å; K493-N495 PolarHBondContact O-N 2.91Å; K493-Y496 PolarHBondContact O-N 2.77Å; K493-I497 HydrophobicContact CB-CD1 4.41Å; K493-I497 WeakPolarHBondContact O-CB 3.48Å; K493-I497 WeakPolarHBondContact O-CD1 3Å; K493-I497 WeakPolarHBondContact O-CG1 3.49Å; K493-I497 PolarHBondContact O-N 3.04Å
494	K	88.9	Confident	86.3	Confident	117 Å²	117	66.4 Å²	66.4	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-58.7	-41	179	-75	172.8	-173.5	168.5	0	111.8	E490 D491 E492 N498	E490-K494 WeakPolarHBondContact O-CG 3.43Å; E490-K494 PolarHBondContact O-N 2.94Å; E490-K494 VanDerWaalsContact O-N 3.14Å; D491-K494 PolarHBondContact O-N 2.81Å; E492-K494 VanDerWaalsContact C-N 3.34Å; E492-K494 PolarHBondContact O-N 3.39Å; K494-N498 VanDerWaalsContact O-CB 3.23Å; K494-N498 WeakPolarHBondContact O-CB 3.35Å; K494-N498 PolarHBondContact O-N 3.32Å; K494-N498 PolarHBondContact O-ND2 2.95Å; K494-N498 VanDerWaalsContact O-ND2 3.15Å
495	N	87.5	Confident	86.6	Confident	111 Å²	111	64.1 Å²	64.1	59%	0.594	32%	0.32	S	S	*	.	H	α-helix	trans	-64.5	-48	178.9	-71.4	-19.5	0	0	0	112	D491 E492 K493 N498 L499	D491-N495 PolarHBondContact O-N 2.89Å; D491-N495 VanDerWaalsContact O-N 3.07Å; D491-N495 PolarHBondContact O-ND2 3.18Å; E492-N495 PolarHBondContact O-N 2.89Å; E492-N495 VanDerWaalsContact O-N 3.16Å; K493-N495 VanDerWaalsContact C-N 3.28Å; K493-N495 PolarHBondContact O-N 2.91Å; N495-N498 PolarHBondContact O-N 3.03Å; N495-L499 VanDerWaalsContact O-CB 3.3Å; N495-L499 WeakPolarHBondContact O-CB 3.19Å; N495-L499 PolarHBondContact O-N 3.29Å
496	Y	86.3	Confident	86.7	Confident	16 Å²	16	65.7 Å²	65.7	6%	0.063	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-41.9	177.5	-73.4	-63.4	0	0	0	112.4	L488 E492 K493 L499 A500 V615 K619	L488-Y496 HydrophobicContact CD1-CD2 4.45Å; L488-Y496 HydrophobicContact CD2-CE2 4.19Å; E492-Y496 VanDerWaalsContact O-CD2 3.23Å; E492-Y496 WeakPolarHBondContact O-CD2 3.31Å; E492-Y496 PolarHBondContact O-N 3.24Å; K493-Y496 PolarHBondContact O-N 2.77Å; Y496-L499 PolarHBondContact O-N 3.3Å; Y496-A500 VanDerWaalsContact O-CB 3.31Å; Y496-A500 WeakPolarHBondContact O-CB 3.42Å; Y496-A500 PolarHBondContact O-N 3.08Å; Y496-V615 HydrophobicContact CD1-CG1 3.99Å; Y496-K619 PolarHBondContact OH-NZ 2.69Å; Y496-K619 VanDerWaalsContact OH-NZ 3.07Å
497	I	90.8	Very high	86.9	Confident	30 Å²	30	61.6 Å²	61.6	15%	0.154	30%	0.301	C	S	.	.	H	α-helix	trans	-63.1	-45.5	177.3	-68.8	165.2	0	0	0	110.7	L482 S483 K493 L499 A500 N501	L482-I497 HydrophobicContact CB-CD1 4.24Å; L482-I497 HydrophobicContact CB-CG1 3.75Å; L482-I497 HydrophobicContact CD1-CG1 4.08Å; S483-I497 VanDerWaalsContact OG-CD1 3.27Å; S483-I497 WeakPolarHBondContact OG-CD1 3.13Å; K493-I497 HydrophobicContact CB-CD1 4.41Å; K493-I497 WeakPolarHBondContact O-CB 3.48Å; K493-I497 WeakPolarHBondContact O-CD1 3Å; K493-I497 WeakPolarHBondContact O-CG1 3.49Å; K493-I497 PolarHBondContact O-N 3.04Å; I497-L499 VanDerWaalsContact C-N 3.32Å; I497-L499 PolarHBondContact O-N 2.78Å; I497-A500 PolarHBondContact O-N 3.2Å; I497-N501 WeakPolarHBondContact CG2-ND2 3.29Å; I497-N501 WeakPolarHBondContact O-CB 3.49Å; I497-N501 PolarHBondContact O-N 3.16Å; I497-N501 PolarHBondContact O-ND2 2.88Å
498	N	91.3	Very high	86.7	Confident	108 Å²	108	56.6 Å²	56.6	58%	0.578	28%	0.282	S	S	*	.	H	α-helix	trans	-63.3	-40.8	177.4	-74.4	-23.7	0	0	0	111.5	K494 N495 S502	K494-N498 VanDerWaalsContact O-CB 3.23Å; K494-N498 WeakPolarHBondContact O-CB 3.35Å; K494-N498 PolarHBondContact O-N 3.32Å; K494-N498 PolarHBondContact O-ND2 2.95Å; K494-N498 VanDerWaalsContact O-ND2 3.15Å; N495-N498 PolarHBondContact O-N 3.03Å; N498-S502 VanDerWaalsContact O-CB 3.26Å; N498-S502 WeakPolarHBondContact O-CB 3.24Å; N498-S502 PolarHBondContact O-N 3.12Å; N498-S502 PolarHBondContact O-OG 2.98Å
499	L	89.4	Confident	86.2	Confident	26 Å²	26	57.6 Å²	57.6	14%	0.136	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-53.2	176.8	175	60	0	0	0	111	N495 Y496 I497 N501 S502 F503 V615 N618	N495-L499 VanDerWaalsContact O-CB 3.3Å; N495-L499 WeakPolarHBondContact O-CB 3.19Å; N495-L499 PolarHBondContact O-N 3.29Å; Y496-L499 PolarHBondContact O-N 3.3Å; I497-L499 VanDerWaalsContact C-N 3.32Å; I497-L499 PolarHBondContact O-N 2.78Å; L499-N501 VanDerWaalsContact C-N 3.32Å; L499-N501 PolarHBondContact O-N 3.13Å; L499-S502 WeakPolarHBondContact O-CB 3.09Å; L499-S502 PolarHBondContact O-N 3.2Å; L499-S502 PolarHBondContact O-OG 3.37Å; L499-F503 HydrophobicContact CD1-CE2 3.73Å; L499-F503 HydrophobicContact CD1-CZ 4.21Å; L499-F503 HydrophobicContact CG-CE2 3.92Å; L499-F503 VanDerWaalsContact O-CD2 3.23Å; L499-F503 WeakPolarHBondContact O-CD2 3.36Å; L499-V615 HydrophobicContact CD2-CG1 4.4Å; L499-N618 WeakPolarHBondContact CD1-ND2 3.01Å; L499-N618 HydrophobicContact CD2-CB 4.03Å; L499-N618 WeakPolarHBondContact CD2-ND2 3.13Å
500	A	91	Very high	84.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-54.5	-46.9	178.5	0	0	0	0	0	111.9	K475 L478 Y496 I497 S502 F503 V615	K475-A500 VanDerWaalsContact CD-O 3.29Å; K475-A500 WeakPolarHBondContact CD-O 3.4Å; L478-A500 HydrophobicContact CD2-CB 3.69Å; L478-A500 HydrophobicContact CG-CB 4.1Å; Y496-A500 VanDerWaalsContact O-CB 3.31Å; Y496-A500 WeakPolarHBondContact O-CB 3.42Å; Y496-A500 PolarHBondContact O-N 3.08Å; I497-A500 PolarHBondContact O-N 3.2Å; A500-S502 VanDerWaalsContact C-N 3.26Å; A500-S502 PolarHBondContact O-N 3.24Å; A500-F503 PolarHBondContact O-N 3.28Å; A500-V615 HydrophobicContact CB-CG2 4.26Å
501	N	93.8	Very high	83.2	Confident	73 Å²	73	54.9 Å²	54.9	39%	0.39	28%	0.279	S	S	.	.	H	α-helix	trans	-71.4	-19.5	179.5	-73.1	-41.2	0	0	0	114	S479 I497 L499 F503	S479-N501 PolarHBondContact OG-ND2 3.44Å; S479-N501 PolarHBondContact OG-OD1 3Å; I497-N501 WeakPolarHBondContact CG2-ND2 3.29Å; I497-N501 WeakPolarHBondContact O-CB 3.49Å; I497-N501 PolarHBondContact O-N 3.16Å; I497-N501 PolarHBondContact O-ND2 2.88Å; L499-N501 VanDerWaalsContact C-N 3.32Å; L499-N501 PolarHBondContact O-N 3.13Å; N501-F503 VanDerWaalsContact C-N 3.31Å
502	S	93.2	Very high	81.7	Confident	34 Å²	34	51.7 Å²	51.7	24%	0.238	27%	0.266	C	S	.	.	H	α-helix	trans	-78.6	-15.7	178.5	76.3	0	0	0	0	113.6	N498 L499 A500 K576	N498-S502 VanDerWaalsContact O-CB 3.26Å; N498-S502 WeakPolarHBondContact O-CB 3.24Å; N498-S502 PolarHBondContact O-N 3.12Å; N498-S502 PolarHBondContact O-OG 2.98Å; L499-S502 WeakPolarHBondContact O-CB 3.09Å; L499-S502 PolarHBondContact O-N 3.2Å; L499-S502 PolarHBondContact O-OG 3.37Å; A500-S502 VanDerWaalsContact C-N 3.26Å; A500-S502 PolarHBondContact O-N 3.24Å; S502-K576 WeakPolarHBondContact O-CB 3.34Å; S502-K576 VanDerWaalsContact OG-CD 3.27Å; S502-K576 WeakPolarHBondContact OG-CD 3.21Å; S502-K576 WeakPolarHBondContact OG-CE 2.67Å
503	F	92.9	Very high	80.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.			trans	-70.4	138.8	177.5	-77.9	-82.6	0	0	0	112.5	F471 K475 L499 A500 N501 A573 K576 I578 L611 E614 V615	F471-F503 WeakPolarHBondContact CE1-O 3.25Å; F471-F503 HydrophobicContact CZ-CB 3.95Å; K475-F503 PolarHBondContact NZ-O 2.81Å; L499-F503 HydrophobicContact CD1-CE2 3.73Å; L499-F503 HydrophobicContact CD1-CZ 4.21Å; L499-F503 HydrophobicContact CG-CE2 3.92Å; L499-F503 VanDerWaalsContact O-CD2 3.23Å; L499-F503 WeakPolarHBondContact O-CD2 3.36Å; A500-F503 PolarHBondContact O-N 3.28Å; N501-F503 VanDerWaalsContact C-N 3.31Å; F503-A573 HydrophobicContact CZ-CB 4.16Å; F503-K576 CarbonylContact C-O 3.04Å; F503-K576 VanDerWaalsContact CA-O 3.29Å; F503-K576 WeakPolarHBondContact CA-O 3.03Å; F503-K576 VanDerWaalsContact CD1-C 3.41Å; F503-K576 HydrophobicContact CD1-CB 4.43Å; F503-I578 HydrophobicContact CD1-CD1 4.42Å; F503-I578 HydrophobicContact CD1-CG1 4.14Å; F503-L611 HydrophobicContact CB-CD1 4.22Å; F503-L611 HydrophobicContact CD2-CD1 3.98Å; F503-L611 HydrophobicContact CG-CD1 4.18Å; F503-E614 HydrophobicContact CE1-CB 3.72Å; F503-E614 HydrophobicContact CE1-CG 4.08Å; F503-E614 HydrophobicContact CE2-CB 4.19Å; F503-E614 HydrophobicContact CZ-CB 3.42Å; F503-E614 VanDerWaalsContact CZ-CB 3.42Å; F503-E614 HydrophobicContact CZ-CG 4.28Å; F503-V615 HydrophobicContact CD2-CG2 4.27Å; F503-V615 HydrophobicContact CE2-CG2 3.87Å
504	Q	92.2	Very high	78.6	Confident	133 Å²	133	52 Å²	52	62%	0.621	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	151.3	169.9	-62.5	-176.2	3.2	0	0	110.4	K576 L577 I578	Q504-K576 PolarHBondContact N-O 3.16Å; Q504-L577 HydrophobicContact CB-CD1 4.09Å; Q504-I578 PolarHBondContact O-N 3.07Å
505	L	90.5	Very high	76.7	Confident	18 Å²	18	49.2 Å²	49.2	9%	0.094	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.2	171.3	-179.3	66.7	0	0	0	109.2	V467 L468 F471 I578 I580 I607	V467-L505 HydrophobicContact CG1-CD2 4.1Å; L468-L505 HydrophobicContact CD2-CB 4.15Å; L468-L505 HydrophobicContact CD2-CD2 4.2Å; L468-L505 HydrophobicContact CD2-CG 4.23Å; L468-L505 WeakPolarHBondContact CD2-O 3.39Å; F471-L505 HydrophobicContact CB-CB 4.19Å; F471-L505 HydrophobicContact CB-CD2 3.68Å; F471-L505 HydrophobicContact CD1-CB 3.4Å; F471-L505 HydrophobicContact CD2-CB 4.25Å; F471-L505 HydrophobicContact CE1-CB 3.72Å; F471-L505 HydrophobicContact CG-CB 3.67Å; F471-L505 HydrophobicContact CG-CD2 3.99Å; F471-L505 HydrophobicContact CG-CG 4.39Å; F471-L505 HydrophobicContact CZ-CB 4.26Å; L505-I578 CarbonylContact C-O 3.51Å; L505-I578 WeakPolarHBondContact CA-O 3.4Å; L505-I578 HydrophobicContact CD1-CB 4.11Å; L505-I578 HydrophobicContact CD1-CG2 3.71Å; L505-I580 HydrophobicContact CD1-CD1 4.31Å; L505-I580 HydrophobicContact CD1-CG1 4.08Å; L505-I580 HydrophobicContact CD1-CG2 3.83Å; L505-I580 HydrophobicContact CD2-CD1 4.16Å; L505-I607 HydrophobicContact CD2-CD1 4.19Å
506	S	84.4	Confident	74.9	Confident	35 Å²	35	51.4 Å²	51.4	25%	0.245	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.9	170.4	-178.8	0	0	0	0	109.8	I578 K579 I580	S506-I578 PolarHBondContact N-O 2.86Å; S506-K579 CarbonylContact O-C 3.57Å; S506-K579 VanDerWaalsContact O-CA 3.29Å; S506-K579 WeakPolarHBondContact O-CA 3.18Å; S506-I580 PolarHBondContact O-N 3.5Å
507	I	80.2	Confident	73.3	Confident	16 Å²	16	54.2 Å²	54.2	8%	0.082	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	110.4	173.3	-53.9	179.5	0	0	0	107	N464 V467 L468 T509 I580 L585	N464-I507 HydrophobicContact CB-CD1 3.88Å; V467-I507 HydrophobicContact CB-CD1 4.35Å; L468-I507 HydrophobicContact CD2-CD1 4.42Å; L468-I507 HydrophobicContact CD2-CG1 4.48Å; L468-I507 HydrophobicContact CG-CD1 4.23Å; I507-T509 HydrophobicContact CG2-CG2 3.86Å; I507-T509 PolarHBondContact O-N 2.89Å; I507-T509 VanDerWaalsContact O-N 3.11Å; I507-I580 CarbonylContact C-O 3.55Å; I507-I580 WeakPolarHBondContact CA-O 3.49Å; I507-I580 HydrophobicContact CB-CG1 4.33Å; I507-I580 HydrophobicContact CD1-CD1 4.44Å; I507-I580 HydrophobicContact CG1-CD1 3.99Å; I507-I580 HydrophobicContact CG1-CG1 3.87Å; I507-I580 HydrophobicContact CG2-CG1 4.35Å; I507-L585 HydrophobicContact CD1-CD1 4.19Å; I507-L585 HydrophobicContact CG2-CD1 3.77Å
508	I	71.1	Confident	71.6	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	110.2	172.9	-55.4	173.1	0	0	0	107	S512 P560 A562 Y568 K579 I580 A582	I508-S512 WeakPolarHBondContact CA-OG 3.42Å; I508-P560 HydrophobicContact CD1-CG 4.29Å; I508-A562 HydrophobicContact CD1-CB 4.41Å; I508-Y568 HydrophobicContact CD1-CD1 4.4Å; I508-K579 HydrophobicContact CD1-CB 3.91Å; I508-K579 HydrophobicContact CD1-CD 4.27Å; I508-K579 HydrophobicContact CG1-CB 4.16Å; I508-I580 PolarHBondContact N-O 3.11Å; I508-A582 PolarHBondContact O-N 3.09Å; I508-A582 VanDerWaalsContact O-N 3.16Å
509	T	63.8	Low	69.8	Low	29 Å²	29	53 Å²	53	18%	0.178	29%	0.286	C	S	.	.			trans	-123.7	169.5	173.6	65.1	0	0	0	0	108.5	I507 K511 S512 T564	I507-T509 HydrophobicContact CG2-CG2 3.86Å; I507-T509 PolarHBondContact O-N 2.89Å; I507-T509 VanDerWaalsContact O-N 3.11Å; T509-K511 PolarHBondContact O-N 3.25Å; T509-K511 PolarHBondContact OG1-N 3.47Å; T509-S512 PolarHBondContact N-OG 3.03Å; T509-S512 PolarHBondContact O-N 3.2Å; T509-S512 PolarHBondContact O-OG 2.94Å; T509-S512 PolarHBondContact OG1-N 3.37Å; T509-T564 WeakPolarHBondContact CA-OG1 3.4Å
510	S	53.6	Low	68.3	Low	27 Å²	27	55.3 Å²	55.3	19%	0.189	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.6	179.4	72.7	0	0	0	0	114.2	E450 L454 R518 T564	E450-S510 WeakPolarHBondContact OE1-CA 3.35Å; E450-S510 WeakPolarHBondContact OE1-CB 3.07Å; L454-S510 WeakPolarHBondContact CD1-OG 3.36Å; S510-R518 VanDerWaalsContact CB-NH1 3.27Å; S510-R518 PolarHBondContact O-NH1 2.9Å; S510-R518 VanDerWaalsContact O-NH1 3.14Å; S510-T564 PolarHBondContact N-OG1 2.9Å; S510-T564 VanDerWaalsContact N-OG1 3.11Å
511	K	53.9	Low	66.9	Low	179 Å²	179	57.6 Å²	57.6	78%	0.778	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-19	-178.9	-64.2	-176.6	178.2	179.4	0	113.6	T509 L513	T509-K511 PolarHBondContact O-N 3.25Å; T509-K511 PolarHBondContact OG1-N 3.47Å; K511-L513 VanDerWaalsContact C-N 3.25Å
512	S	51.6	Low	65.6	Low	49 Å²	49	54.3 Å²	54.3	34%	0.343	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.5	179.7	58.2	0	0	0	0	112.4	I508 T509	I508-S512 WeakPolarHBondContact CA-OG 3.42Å; T509-S512 PolarHBondContact N-OG 3.03Å; T509-S512 PolarHBondContact O-N 3.2Å; T509-S512 PolarHBondContact O-OG 2.94Å; T509-S512 PolarHBondContact OG1-N 3.37Å
513	L	53.5	Low	64.6	Low	35 Å²	35	53.2 Å²	53.2	18%	0.183	29%	0.285	C	S	.	.	S	Bend	trans	-101.6	127.1	174.7	-72.4	165.1	0	0	0	109.8	K511 A515 R518 E559	K511-L513 VanDerWaalsContact C-N 3.25Å; L513-A515 PolarHBondContact O-N 3.16Å; L513-R518 VanDerWaalsContact CB-CD 3.43Å; L513-R518 HydrophobicContact CB-CG 3.32Å; L513-R518 HydrophobicContact CD1-CG 3.94Å; L513-R518 HydrophobicContact CG-CG 4.13Å; L513-E559 HydrophobicContact CD2-CB 4.05Å; L513-E559 HydrophobicContact CD2-CG 4.21Å; L513-E559 WeakPolarHBondContact CD2-OE2 3.43Å; L513-E559 WeakPolarHBondContact CG-OE2 3.33Å
514	S	50.7	Low	63.6	Low	55 Å²	55	53.5 Å²	53.5	39%	0.385	29%	0.287	S	S	.	.			trans	-62.2	139.4	172.1	85	0	0	0	0	109.1	E516 D517 R518	S514-E516 PolarHBondContact O-N 3.5Å; S514-E516 VanDerWaalsContact O-N 3.1Å; S514-D517 PolarHBondContact O-N 3.2Å; S514-D517 WeakPolarHBondContact OG-CB 3.48Å; S514-D517 PolarHBondContact OG-N 3.42Å; S514-D517 VanDerWaalsContact OG-N 3.1Å; S514-D517 PolarHBondContact OG-OD2 3.1Å; S514-R518 WeakPolarHBondContact O-CG 3.4Å; S514-R518 PolarHBondContact O-N 3.19Å; S514-R518 VanDerWaalsContact O-N 3.08Å
515	A	48.7	Very low	62.6	Low	60 Å²	60	50.4 Å²	50.4	50%	0.496	27%	0.272	S	S	.	.	H	α-helix	trans	-51.2	-39.1	-179.6	0	0	0	0	0	111.5	L513 R518 E519	L513-A515 PolarHBondContact O-N 3.16Å; A515-R518 PolarHBondContact O-N 3.37Å; A515-E519 WeakPolarHBondContact O-CB 3.5Å; A515-E519 VanDerWaalsContact O-CD 3.24Å; A515-E519 WeakPolarHBondContact O-CG 3.36Å; A515-E519 PolarHBondContact O-N 2.84Å
516	E	49.6	Very low	62	Low	156 Å²	156	52.9 Å²	52.9	73%	0.729	29%	0.288	S	S	*	.	H	α-helix	trans	-65.9	-40.9	179.4	-150	164.7	-158.6	0	0	113.2	S514 R518 S520	S514-E516 PolarHBondContact O-N 3.5Å; S514-E516 VanDerWaalsContact O-N 3.1Å; E516-R518 VanDerWaalsContact C-N 3.33Å; E516-R518 PolarHBondContact O-N 3.26Å; E516-S520 WeakPolarHBondContact O-CB 3.47Å; E516-S520 PolarHBondContact O-N 3.14Å; E516-S520 PolarHBondContact O-OG 2.95Å
517	D	53.7	Low	61.9	Low	75 Å²	75	52.5 Å²	52.5	40%	0.401	28%	0.283	S	S	.	.	H	α-helix	trans	-68.4	-32.9	175.1	-70.8	-47.8	0	0	0	112.1	S514 S520 R521	S514-D517 PolarHBondContact O-N 3.2Å; S514-D517 WeakPolarHBondContact OG-CB 3.48Å; S514-D517 PolarHBondContact OG-N 3.42Å; S514-D517 VanDerWaalsContact OG-N 3.1Å; S514-D517 PolarHBondContact OG-OD2 3.1Å; D517-S520 PolarHBondContact O-OG 3.42Å; D517-R521 WeakPolarHBondContact O-CD 3.34Å; D517-R521 WeakPolarHBondContact O-CG 3.49Å; D517-R521 PolarHBondContact O-NE 3.27Å; D517-R521 VanDerWaalsContact O-NE 3.07Å
518	R	54.9	Low	62.1	Low	27 Å²	27	60.3 Å²	60.3	10%	0.102	32%	0.319	C	S	.	.	H	α-helix	trans	-73.7	-43.8	176.4	-58.8	-175.7	77.5	156.4	2.8	111.9	E450 S510 L513 S514 A515 E516 R521	E450-R518 IonicContact OE1-CZ 2.84Å; E450-R518 VanDerWaalsContact OE1-CZ 3.3Å; E450-R518 IonicContact OE1-NH1 3.88Å; E450-R518 PolarHBondContact OE1-NH1 3.42Å; E450-R518 IonicContact OE1-NH2 2.72Å; E450-R518 PolarHBondContact OE1-NH2 3.13Å; E450-R518 IonicContact OE2-CZ 2.76Å; E450-R518 IonicContact OE2-NH1 2.78Å; E450-R518 IonicContact OE2-NH2 3.61Å; E450-R518 PolarHBondContact OE2-NH2 3.26Å; S510-R518 VanDerWaalsContact CB-NH1 3.27Å; S510-R518 PolarHBondContact O-NH1 2.9Å; S510-R518 VanDerWaalsContact O-NH1 3.14Å; L513-R518 VanDerWaalsContact CB-CD 3.43Å; L513-R518 HydrophobicContact CB-CG 3.32Å; L513-R518 HydrophobicContact CD1-CG 3.94Å; L513-R518 HydrophobicContact CG-CG 4.13Å; S514-R518 WeakPolarHBondContact O-CG 3.4Å; S514-R518 PolarHBondContact O-N 3.19Å; S514-R518 VanDerWaalsContact O-N 3.08Å; A515-R518 PolarHBondContact O-N 3.37Å; E516-R518 VanDerWaalsContact C-N 3.33Å; E516-R518 PolarHBondContact O-N 3.26Å; R518-R521 PolarHBondContact O-N 3.1Å
519	E	53.6	Low	62.8	Low	87 Å²	87	60.6 Å²	60.6	41%	0.407	32%	0.32	S	S	.	.	H	α-helix	trans	-68	-39.4	-175.4	-76.3	165.6	-160.4	0	0	111.9	R182 A515 R521	R182-E519 IonicContact CZ-OE1 3.56Å; R182-E519 IonicContact NH1-OE1 3.71Å; R182-E519 PolarHBondContact NH1-OE1 3.34Å; A515-E519 WeakPolarHBondContact O-CB 3.5Å; A515-E519 VanDerWaalsContact O-CD 3.24Å; A515-E519 WeakPolarHBondContact O-CG 3.36Å; A515-E519 PolarHBondContact O-N 2.84Å; E519-R521 PolarHBondContact O-N 2.64Å
520	S	56.4	Low	63.9	Low	73 Å²	73	61.4 Å²	61.4	51%	0.51	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.8	179.3	57.7	0	0	0	0	113.9	E516 D517	E516-S520 WeakPolarHBondContact O-CB 3.47Å; E516-S520 PolarHBondContact O-N 3.14Å; E516-S520 PolarHBondContact O-OG 2.95Å; D517-S520 PolarHBondContact O-OG 3.42Å
521	R	61.8	Low	65.5	Low	48 Å²	48	63.1 Å²	63.1	18%	0.181	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-12.4	-174.6	-65	173.7	-163.6	-118.8	-8.3	114.1	D517 R518 E519 F523 K548 Y551 D555	D517-R521 WeakPolarHBondContact O-CD 3.34Å; D517-R521 WeakPolarHBondContact O-CG 3.49Å; D517-R521 PolarHBondContact O-NE 3.27Å; D517-R521 VanDerWaalsContact O-NE 3.07Å; R518-R521 PolarHBondContact O-N 3.1Å; E519-R521 PolarHBondContact O-N 2.64Å; R521-F523 PolarHBondContact O-N 3.28Å; R521-K548 WeakPolarHBondContact O-CE 3.4Å; R521-Y551 HydrophobicContact CG-CE1 3.74Å; R521-D555 IonicContact CZ-OD2 3.02Å; R521-D555 IonicContact NH1-OD2 2.9Å; R521-D555 PolarHBondContact NH1-OD2 2.91Å; R521-D555 IonicContact NH2-OD2 3.75Å; R521-D555 PolarHBondContact NH2-OD2 3.03Å; R521-D555 VanDerWaalsContact NH2-OD2 3.09Å
522	D	66.2	Low	67	Low	5 Å²	5	61.1 Å²	61.1	3%	0.027	33%	0.33	C	S	.	.			trans	-96	87	-178.4	-155	-9.3	0	0	0	112.1	R445 I447 I524 F525 K548	R445-D522 WeakPolarHBondContact CB-OD2 3.45Å; R445-D522 WeakPolarHBondContact CG-OD1 3.03Å; R445-D522 WeakPolarHBondContact CG-OD2 3.1Å; R445-D522 IonicContact NE-OD1 2.92Å; I447-D522 HydrophobicContact CD1-CB 3.94Å; I447-D522 WeakPolarHBondContact CD1-OD2 3.35Å; D522-I524 PolarHBondContact O-N 3.22Å; D522-F525 HydrophobicContact CB-CD2 3.9Å; D522-F525 HydrophobicContact CB-CE2 3.81Å; D522-F525 PolarHBondContact O-N 2.72Å; D522-K548 IonicContact OD1-NZ 2.7Å
523	F	73.3	Confident	68.7	Low	10 Å²	10	60 Å²	60	4%	0.044	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-62.6	0.8	-178.7	-50.3	-74.3	0	0	0	114.2	L367 R521 F525 T526 T544 L547 K548 Y551	L367-F523 HydrophobicContact CD2-CD1 4.31Å; L367-F523 HydrophobicContact CD2-CD2 4.42Å; L367-F523 HydrophobicContact CD2-CE1 3.64Å; L367-F523 HydrophobicContact CD2-CE2 3.76Å; L367-F523 HydrophobicContact CD2-CZ 3.33Å; R521-F523 PolarHBondContact O-N 3.28Å; F523-F525 VanDerWaalsContact C-N 3.32Å; F523-T526 PolarHBondContact O-OG1 2.96Å; F523-T544 HydrophobicContact CB-CG2 3.96Å; F523-T544 HydrophobicContact CD2-CG2 4.43Å; F523-T544 PolarHBondContact O-OG1 3.47Å; F523-T544 VanDerWaalsContact O-OG1 3.14Å; F523-L547 HydrophobicContact CB-CB 4.35Å; F523-L547 HydrophobicContact CB-CD1 3.85Å; F523-L547 HydrophobicContact CD1-CD1 4.49Å; F523-L547 HydrophobicContact CD2-CB 3.56Å; F523-L547 HydrophobicContact CD2-CD1 4.5Å; F523-L547 HydrophobicContact CE2-CB 4.02Å; F523-L547 HydrophobicContact CG-CB 3.94Å; F523-L547 HydrophobicContact CG-CD1 4.04Å; F523-K548 HydrophobicContact CD2-CG 3.91Å; F523-K548 HydrophobicContact CE2-CG 4.08Å; F523-Y551 HydrophobicContact CE2-CG 4.4Å; F523-Y551 AromaticContact CZ-CD2 3.97Å; F523-Y551 HydrophobicContact CZ-CD2 3.97Å; F523-Y551 HydrophobicContact CZ-CG 4.11Å
524	I	72.5	Confident	70.3	Confident	6 Å²	6	58.5 Å²	58.5	3%	0.031	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-61.9	-46.5	171	-167.5	178.8	0	0	0	111.4	R445 D522 T526 N527 I529 T544	R445-I524 VanDerWaalsContact CD-CB 3.42Å; R445-I524 VanDerWaalsContact CD-CD1 3.46Å; R445-I524 HydrophobicContact CG-CG2 4.45Å; R445-I524 VanDerWaalsContact CZ-CD1 3.42Å; R445-I524 VanDerWaalsContact NE-CB 3.27Å; D522-I524 PolarHBondContact O-N 3.22Å; I524-T526 PolarHBondContact O-N 3.38Å; I524-N527 PolarHBondContact O-N 3.19Å; I524-I529 HydrophobicContact CD1-CD1 3.67Å; I524-I529 HydrophobicContact CD1-CG1 3.62Å; I524-I529 HydrophobicContact CG1-CD1 3.72Å; I524-I529 HydrophobicContact CG1-CG1 3.91Å; I524-T544 PolarHBondContact N-OG1 3.5Å; I524-T544 VanDerWaalsContact N-OG1 3.12Å
525	F	71.1	Confident	72.2	Confident	68 Å²	68	56 Å²	56	30%	0.298	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-74.3	0.7	-168.7	-55.1	-64.5	0	0	0	110.8	R182 D522 F523	R182-F525 HydrophobicContact CB-CD1 4.32Å; R182-F525 HydrophobicContact CB-CE1 3.58Å; R182-F525 HydrophobicContact CB-CE2 4.46Å; R182-F525 HydrophobicContact CB-CZ 3.67Å; R182-F525 HydrophobicContact CG-CD1 3.98Å; R182-F525 HydrophobicContact CG-CD2 4.45Å; R182-F525 HydrophobicContact CG-CE1 3.71Å; R182-F525 HydrophobicContact CG-CE2 4.19Å; R182-F525 HydrophobicContact CG-CG 4.37Å; R182-F525 HydrophobicContact CG-CZ 3.83Å; D522-F525 HydrophobicContact CB-CD2 3.9Å; D522-F525 HydrophobicContact CB-CE2 3.81Å; D522-F525 PolarHBondContact O-N 2.72Å; F523-F525 VanDerWaalsContact C-N 3.32Å
526	T	77.1	Confident	74.2	Confident	71 Å²	71	53.9 Å²	53.9	44%	0.436	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-76	-14.1	165.6	71.6	0	0	0	0	112.7	F523 I524	F523-T526 PolarHBondContact O-OG1 2.96Å; I524-T526 PolarHBondContact O-N 3.38Å
527	N	82.4	Confident	76.1	Confident	27 Å²	27	46.5 Å²	46.5	14%	0.144	24%	0.24	C	C	.	.	S	Bend	trans	-122.4	144.5	176.2	-46.1	-90.4	0	0	0	109.4	I524 Y540 K543	I524-N527 PolarHBondContact O-N 3.19Å; N527-Y540 HydrophobicContact CB-CD1 3.71Å; N527-Y540 HydrophobicContact CB-CD2 3.59Å; N527-Y540 HydrophobicContact CB-CE1 3.82Å; N527-Y540 HydrophobicContact CB-CE2 3.67Å; N527-Y540 HydrophobicContact CB-CG 3.61Å; N527-Y540 WeakPolarHBondContact OD1-CE1 3.14Å; N527-K543 PolarHBondContact OD1-NZ 3.08Å
528	E	85	Confident	77.7	Confident	179 Å²	179	43 Å²	43	84%	0.836	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-76.8	125.8	177.4	-172.9	176.2	-177.4	0	0	110.2
529	I	85.2	Confident	79.4	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.031	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-95	116.8	179	-57	-59.5	0	0	0	109.3	S185 N188 Y189 I524 Y540	S185-I529 VanDerWaalsContact O-CG2 3.28Å; S185-I529 WeakPolarHBondContact O-CG2 3.37Å; N188-I529 HydrophobicContact CB-CG2 4.14Å; N188-I529 PolarHBondContact ND2-O 3.08Å; N188-I529 VanDerWaalsContact ND2-O 3.07Å; Y189-I529 HydrophobicContact CD2-CG2 4.32Å; I524-I529 HydrophobicContact CD1-CD1 3.67Å; I524-I529 HydrophobicContact CD1-CG1 3.62Å; I524-I529 HydrophobicContact CG1-CD1 3.72Å; I524-I529 HydrophobicContact CG1-CG1 3.91Å; I529-Y540 HydrophobicContact CD1-CD2 4.08Å
530	S	87.5	Confident	81.1	Confident	46 Å²	46	40.6 Å²	40.6	32%	0.322	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-100.2	137.7	-175.3	-179.3	0	0	0	0	111.8	D532 N537	S530-D532 PolarHBondContact O-N 3.28Å; S530-D532 PolarHBondContact OG-N 2.99Å; S530-N537 PolarHBondContact N-OD1 3.21Å; S530-N537 PolarHBondContact O-ND2 3.47Å
531	E	86.9	Confident	82.5	Confident	63 Å²	63	37.3 Å²	37.3	29%	0.294	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23	172	-175.5	165.4	157.9	0	0	112.4	N188 K191 S192	N188-E531 HydrophobicContact CB-CB 4.34Å; N188-E531 WeakPolarHBondContact O-CA 3.4Å; K191-E531 HydrophobicContact CB-CG 3.71Å; K191-E531 HydrophobicContact CD-CG 3.95Å; K191-E531 WeakPolarHBondContact CD-OE1 3.49Å; K191-E531 WeakPolarHBondContact CD-OE2 3.33Å; K191-E531 VanDerWaalsContact NZ-CD 3.33Å; K191-E531 IonicContact NZ-OE1 2.98Å; K191-E531 PolarHBondContact NZ-OE1 2.8Å; K191-E531 IonicContact NZ-OE2 3.91Å; K191-E531 PolarHBondContact NZ-OE2 3.47Å; S192-E531 WeakPolarHBondContact CA-O 3.16Å; S192-E531 WeakPolarHBondContact CB-O 3.47Å; S192-E531 PolarHBondContact N-O 3.02Å
532	D	86.4	Confident	83.7	Confident	137 Å²	137	36.7 Å²	36.7	73%	0.733	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	7.7	-173.1	-56.6	-44.2	0	0	0	114.6	S530	S530-D532 PolarHBondContact O-N 3.28Å; S530-D532 PolarHBondContact OG-N 2.99Å
533	D	87.3	Confident	84.8	Confident	25 Å²	25	37 Å²	37	13%	0.134	19%	0.187	C	C	.	.			trans	-134.4	66.3	-176.3	-152.2	-34.6	0	0	0	112.7	K210 F535 M536 N537	K210-D533 IonicContact NZ-OD2 2.8Å; K210-D533 PolarHBondContact NZ-OD2 3.3Å; D533-F535 PolarHBondContact O-N 3.19Å; D533-M536 HydrophobicContact CB-CB 4.2Å; D533-M536 VanDerWaalsContact CG-CB 3.48Å; D533-M536 PolarHBondContact O-N 2.57Å; D533-M536 WeakPolarHBondContact OD1-CB 3.35Å; D533-M536 PolarHBondContact OD1-N 3.08Å; D533-N537 WeakPolarHBondContact O-CB 3.43Å; D533-N537 PolarHBondContact O-N 3.39Å; D533-N537 PolarHBondContact O-ND2 3.06Å; D533-N537 PolarHBondContact O-OD1 3.44Å
534	Y	87.1	Confident	85.3	Confident	5 Å²	5	36.6 Å²	36.6	2%	0.02	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-46.8	-176.9	175.1	-122.6	0	0	0	113	Y189 S192 C193 I420 Y424 D440 M536 N537 V538	Y189-Y534 HydrophobicContact CE1-CE2 4.13Å; S192-Y534 WeakPolarHBondContact O-CB 3.5Å; C193-Y534 VanDerWaalsContact CA-CD2 3.49Å; C193-Y534 HydrophobicContact CB-CD2 3.65Å; C193-Y534 HydrophobicContact CB-CE2 3.4Å; C193-Y534 VanDerWaalsContact CB-CE2 3.4Å; C193-Y534 WeakPolarHBondContact SG-CE2 3.27Å; C193-Y534 VanDerWaalsContact SG-CZ 3.59Å; I420-Y534 HydrophobicContact CG2-CE1 3.62Å; I420-Y534 WeakPolarHBondContact CG2-OH 3.46Å; Y424-Y534 HydrophobicContact CE2-CE1 4.32Å; D440-Y534 PolarHBondContact OD2-OH 2.88Å; D440-Y534 VanDerWaalsContact OD2-OH 3.06Å; Y534-M536 PolarHBondContact O-N 3.06Å; Y534-N537 WeakPolarHBondContact O-CB 3.4Å; Y534-N537 PolarHBondContact O-N 2.82Å; Y534-V538 HydrophobicContact CD2-CG2 3.99Å; Y534-V538 HydrophobicContact CE1-CG2 4.19Å; Y534-V538 HydrophobicContact CE2-CG2 3.51Å; Y534-V538 HydrophobicContact CG-CG2 4.49Å; Y534-V538 VanDerWaalsContact O-CG2 3.29Å; Y534-V538 WeakPolarHBondContact O-CG2 3.49Å; Y534-V538 PolarHBondContact O-N 2.87Å
535	F	89.3	Confident	85.8	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-67.4	-34.3	-177.4	-74.6	-79.7	0	0	0	113	I204 E207 V208 L211 I420 L421 Y424 D533 Y539	I204-F535 HydrophobicContact CD1-CE2 4.15Å; I204-F535 HydrophobicContact CG2-CE2 3.88Å; I204-F535 HydrophobicContact CG2-CZ 3.73Å; E207-F535 HydrophobicContact CB-CD2 3.69Å; E207-F535 HydrophobicContact CB-CE2 4.12Å; E207-F535 VanDerWaalsContact OE2-CD2 3.31Å; E207-F535 WeakPolarHBondContact OE2-CD2 3.11Å; E207-F535 WeakPolarHBondContact OE2-CE2 3.19Å; V208-F535 HydrophobicContact CG2-CD1 4.04Å; V208-F535 HydrophobicContact CG2-CD2 4.36Å; V208-F535 HydrophobicContact CG2-CE1 3.74Å; V208-F535 HydrophobicContact CG2-CE2 4.07Å; V208-F535 HydrophobicContact CG2-CG 4.34Å; V208-F535 HydrophobicContact CG2-CZ 3.75Å; L211-F535 HydrophobicContact CD2-CB 3.99Å; I420-F535 HydrophobicContact CG2-CE1 4.12Å; L421-F535 HydrophobicContact CD2-CE1 3.77Å; L421-F535 HydrophobicContact CD2-CZ 4.3Å; Y424-F535 HydrophobicContact CD2-CZ 4.16Å; Y424-F535 AromaticContact CE2-CZ 3.89Å; Y424-F535 HydrophobicContact CE2-CZ 3.89Å; D533-F535 PolarHBondContact O-N 3.19Å; F535-Y539 PolarHBondContact O-N 3.07Å; F535-Y539 VanDerWaalsContact O-N 3.1Å
536	M	91.6	Very high	86.5	Confident	16 Å²	16	40.7 Å²	40.7	8%	0.079	20%	0.202	C	C	.	.	H	α-helix	trans	-70.9	-39.3	172	-168	66.7	73.5	0	0	111.7	L211 T214 L215 D533 Y534 V538 Y539 Y540	L211-M536 HydrophobicContact CD1-CE 3.75Å; L211-M536 HydrophobicContact CD1-SD 3.72Å; T214-M536 HydrophobicContact CG2-CE 3.71Å; L215-M536 HydrophobicContact CD2-SD 4.47Å; D533-M536 HydrophobicContact CB-CB 4.2Å; D533-M536 VanDerWaalsContact CG-CB 3.48Å; D533-M536 PolarHBondContact O-N 2.57Å; D533-M536 WeakPolarHBondContact OD1-CB 3.35Å; D533-M536 PolarHBondContact OD1-N 3.08Å; Y534-M536 PolarHBondContact O-N 3.06Å; M536-V538 VanDerWaalsContact C-N 3.31Å; M536-V538 PolarHBondContact O-N 2.83Å; M536-Y539 WeakPolarHBondContact O-CA 3.32Å; M536-Y539 WeakPolarHBondContact O-CB 3.33Å; M536-Y539 PolarHBondContact O-N 2.99Å; M536-Y539 HydrophobicContact SD-CD1 4Å; M536-Y540 HydrophobicContact CG-CD2 4.11Å; M536-Y540 HydrophobicContact CG-CE1 4.19Å; M536-Y540 HydrophobicContact CG-CE2 3.49Å; M536-Y540 VanDerWaalsContact CG-CE2 3.49Å; M536-Y540 WeakPolarHBondContact O-CD2 3.4Å; M536-Y540 PolarHBondContact O-N 3.12Å; M536-Y540 HydrophobicContact SD-CE1 4.11Å; M536-Y540 HydrophobicContact SD-CE2 4.46Å
537	N	88.3	Confident	87	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-43.3	174.9	-67.9	-20	0	0	0	111.7	Y189 S192 S530 D533 Y534 Y539 Y540 S541	Y189-N537 HydrophobicContact CD2-CB 3.67Å; Y189-N537 HydrophobicContact CE2-CB 3.74Å; Y189-N537 WeakPolarHBondContact CE2-O 3.08Å; Y189-N537 HydrophobicContact CG-CB 4.21Å; S192-N537 PolarHBondContact OG-ND2 3.18Å; S530-N537 PolarHBondContact N-OD1 3.21Å; S530-N537 PolarHBondContact O-ND2 3.47Å; D533-N537 WeakPolarHBondContact O-CB 3.43Å; D533-N537 PolarHBondContact O-N 3.39Å; D533-N537 PolarHBondContact O-ND2 3.06Å; D533-N537 PolarHBondContact O-OD1 3.44Å; Y534-N537 WeakPolarHBondContact O-CB 3.4Å; Y534-N537 PolarHBondContact O-N 2.82Å; N537-Y539 VanDerWaalsContact C-N 3.32Å; N537-Y539 PolarHBondContact O-N 2.02Å; N537-Y540 PolarHBondContact O-N 2.76Å; N537-S541 WeakPolarHBondContact O-CB 3.48Å; N537-S541 PolarHBondContact O-N 2.78Å
538	V	87.4	Confident	86.9	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-58.5	-42.3	171.9	164	0	0	0	0	111.5	M417 I420 Y534 M536 S541 Q542	M417-V538 HydrophobicContact CE-CG1 4.08Å; I420-V538 HydrophobicContact CD1-CB 4.14Å; I420-V538 HydrophobicContact CD1-CG1 3.19Å; I420-V538 HydrophobicContact CD1-CG2 3.79Å; Y534-V538 HydrophobicContact CD2-CG2 3.99Å; Y534-V538 HydrophobicContact CE1-CG2 4.19Å; Y534-V538 HydrophobicContact CE2-CG2 3.51Å; Y534-V538 HydrophobicContact CG-CG2 4.49Å; Y534-V538 VanDerWaalsContact O-CG2 3.29Å; Y534-V538 WeakPolarHBondContact O-CG2 3.49Å; Y534-V538 PolarHBondContact O-N 2.87Å; M536-V538 VanDerWaalsContact C-N 3.31Å; M536-V538 PolarHBondContact O-N 2.83Å; V538-S541 VanDerWaalsContact O-CB 3.24Å; V538-S541 WeakPolarHBondContact O-CB 3.2Å; V538-S541 PolarHBondContact O-N 2.88Å; V538-Q542 WeakPolarHBondContact O-CG 3.3Å; V538-Q542 PolarHBondContact O-N 3.47Å
539	Y	91.3	Very high	86.7	Confident	12 Å²	12	31.6 Å²	31.6	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-64.4	-47.2	176.1	170.3	-107.1	0	0	0	112	L215 P250 Q254 F413 F535 M536 N537 S541 Q542 K543	L215-Y539 HydrophobicContact CD1-CD1 4.07Å; L215-Y539 HydrophobicContact CD1-CD2 3.85Å; L215-Y539 HydrophobicContact CD1-CE1 4.23Å; L215-Y539 HydrophobicContact CD1-CE2 4.01Å; L215-Y539 HydrophobicContact CD1-CG 3.87Å; L215-Y539 HydrophobicContact CD2-CD1 3.93Å; L215-Y539 HydrophobicContact CD2-CE1 3.57Å; P250-Y539 WeakPolarHBondContact CA-OH 3.49Å; P250-Y539 HydrophobicContact CB-CE2 4.46Å; P250-Y539 WeakPolarHBondContact O-CE2 3.4Å; Q254-Y539 HydrophobicContact CB-CE2 4.31Å; F413-Y539 AromaticContact CE2-CD2 3.69Å; F413-Y539 HydrophobicContact CE2-CD2 3.69Å; F413-Y539 AromaticContact CE2-CE2 3.93Å; F413-Y539 HydrophobicContact CE2-CE2 3.93Å; F413-Y539 AromaticContact CZ-CD2 3.87Å; F413-Y539 HydrophobicContact CZ-CD2 3.87Å; F413-Y539 HydrophobicContact CZ-CE2 4.49Å; F535-Y539 PolarHBondContact O-N 3.07Å; F535-Y539 VanDerWaalsContact O-N 3.1Å; M536-Y539 WeakPolarHBondContact O-CA 3.32Å; M536-Y539 WeakPolarHBondContact O-CB 3.33Å; M536-Y539 PolarHBondContact O-N 2.99Å; M536-Y539 HydrophobicContact SD-CD1 4Å; N537-Y539 VanDerWaalsContact C-N 3.32Å; N537-Y539 PolarHBondContact O-N 2.02Å; Y539-S541 PolarHBondContact O-N 2.84Å; Y539-Q542 PolarHBondContact O-N 3.22Å; Y539-Q542 VanDerWaalsContact O-N 3.14Å; Y539-K543 WeakPolarHBondContact O-CB 3.33Å; Y539-K543 PolarHBondContact O-N 2.9Å
540	Y	89.9	Confident	86.8	Confident	51 Å²	51	31.4 Å²	31.4	20%	0.2	16%	0.16	C	C	.	.	H	α-helix	trans	-60.9	-33.9	177.4	-66.6	-33.6	0	0	0	112.6	R445 N527 I529 M536 N537 T544	R445-Y540 PolarHBondContact NH2-O 3.29Å; N527-Y540 HydrophobicContact CB-CD1 3.71Å; N527-Y540 HydrophobicContact CB-CD2 3.59Å; N527-Y540 HydrophobicContact CB-CE1 3.82Å; N527-Y540 HydrophobicContact CB-CE2 3.67Å; N527-Y540 HydrophobicContact CB-CG 3.61Å; N527-Y540 WeakPolarHBondContact OD1-CE1 3.14Å; I529-Y540 HydrophobicContact CD1-CD2 4.08Å; M536-Y540 HydrophobicContact CG-CD2 4.11Å; M536-Y540 HydrophobicContact CG-CE1 4.19Å; M536-Y540 HydrophobicContact CG-CE2 3.49Å; M536-Y540 VanDerWaalsContact CG-CE2 3.49Å; M536-Y540 WeakPolarHBondContact O-CD2 3.4Å; M536-Y540 PolarHBondContact O-N 3.12Å; M536-Y540 HydrophobicContact SD-CE1 4.11Å; M536-Y540 HydrophobicContact SD-CE2 4.46Å; N537-Y540 PolarHBondContact O-N 2.76Å; Y540-T544 PolarHBondContact O-N 2.62Å; Y540-T544 PolarHBondContact O-OG1 3.16Å
541	S	84.3	Confident	86.5	Confident	4 Å²	4	31.8 Å²	31.8	3%	0.028	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-57.4	169.2	168.4	0	0	0	0	114.1	I444 R445 N537 V538 Y539 K543 T544 K545	I444-S541 WeakPolarHBondContact CD1-OG 3.34Å; I444-S541 WeakPolarHBondContact CG1-OG 3.35Å; I444-S541 WeakPolarHBondContact CG2-OG 3.33Å; R445-S541 VanDerWaalsContact NH1-CA 3.33Å; N537-S541 WeakPolarHBondContact O-CB 3.48Å; N537-S541 PolarHBondContact O-N 2.78Å; V538-S541 VanDerWaalsContact O-CB 3.24Å; V538-S541 WeakPolarHBondContact O-CB 3.2Å; V538-S541 PolarHBondContact O-N 2.88Å; Y539-S541 PolarHBondContact O-N 2.84Å; S541-K543 PolarHBondContact O-N 2.72Å; S541-T544 PolarHBondContact O-N 2.82Å; S541-T544 VanDerWaalsContact O-N 3.08Å; S541-K545 PolarHBondContact O-N 3.45Å
542	Q	87.1	Confident	86	Confident	36 Å²	36	33.6 Å²	33.6	17%	0.168	16%	0.161	C	C	.	.	H	α-helix	trans	-57.9	-41.4	-180	-70.1	172.6	-15.6	0	0	110	Q254 V538 Y539 T544 K545 F546	Q254-Q542 HydrophobicContact CG-CB 3.92Å; Q254-Q542 HydrophobicContact CG-CG 4.46Å; V538-Q542 WeakPolarHBondContact O-CG 3.3Å; V538-Q542 PolarHBondContact O-N 3.47Å; Y539-Q542 PolarHBondContact O-N 3.22Å; Y539-Q542 VanDerWaalsContact O-N 3.14Å; Q542-T544 PolarHBondContact O-N 3.27Å; Q542-K545 WeakPolarHBondContact O-CB 3.49Å; Q542-K545 PolarHBondContact O-N 2.93Å; Q542-F546 PolarHBondContact O-N 3.05Å; Q542-F546 VanDerWaalsContact O-N 3.07Å
543	K	90	Very high	85.7	Confident	12 Å²	12	28.2 Å²	28.2	5%	0.052	14%	0.135	C	C	.	.	H	α-helix	trans	-52.8	-52.1	171.3	178.7	178.2	172.3	-171.8	0	112.9	L253 E366 N527 Y539 S541 K545 F546 L547	L253-K543 HydrophobicContact CB-CG 4.2Å; L253-K543 HydrophobicContact CD1-CD 4.3Å; L253-K543 HydrophobicContact CD2-CG 4.43Å; L253-K543 VanDerWaalsContact O-CA 3.25Å; L253-K543 WeakPolarHBondContact O-CA 3.46Å; E366-K543 VanDerWaalsContact CD-CE 3.43Å; E366-K543 IonicContact OE1-NZ 3.17Å; E366-K543 PolarHBondContact OE1-NZ 3.41Å; E366-K543 WeakPolarHBondContact OE2-CE 3.35Å; E366-K543 IonicContact OE2-NZ 3.97Å; E366-K543 PolarHBondContact OE2-NZ 3.17Å; N527-K543 PolarHBondContact OD1-NZ 3.08Å; Y539-K543 WeakPolarHBondContact O-CB 3.33Å; Y539-K543 PolarHBondContact O-N 2.9Å; S541-K543 PolarHBondContact O-N 2.72Å; K543-K545 PolarHBondContact O-N 3.07Å; K543-F546 PolarHBondContact O-N 3.21Å; K543-L547 HydrophobicContact CG-CD1 4.02Å; K543-L547 HydrophobicContact CG-CG 4.48Å; K543-L547 WeakPolarHBondContact O-CG 3.46Å; K543-L547 PolarHBondContact O-N 3.13Å
544	T	84.6	Confident	85.5	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-68.5	-35.4	180	-68.1	0	0	0	0	113.1	R445 F523 I524 Y540 S541 Q542 F546 L547 K548	R445-T544 PolarHBondContact NH2-OG1 3.06Å; F523-T544 HydrophobicContact CB-CG2 3.96Å; F523-T544 HydrophobicContact CD2-CG2 4.43Å; F523-T544 PolarHBondContact O-OG1 3.47Å; F523-T544 VanDerWaalsContact O-OG1 3.14Å; I524-T544 PolarHBondContact N-OG1 3.5Å; I524-T544 VanDerWaalsContact N-OG1 3.12Å; Y540-T544 PolarHBondContact O-N 2.62Å; Y540-T544 PolarHBondContact O-OG1 3.16Å; S541-T544 PolarHBondContact O-N 2.82Å; S541-T544 VanDerWaalsContact O-N 3.08Å; Q542-T544 PolarHBondContact O-N 3.27Å; T544-F546 VanDerWaalsContact C-N 3.26Å; T544-F546 PolarHBondContact O-N 2.72Å; T544-L547 PolarHBondContact O-N 3.01Å; T544-K548 HydrophobicContact CG2-CD 3.82Å; T544-K548 HydrophobicContact CG2-CG 4.07Å; T544-K548 VanDerWaalsContact O-CB 3.32Å; T544-K548 WeakPolarHBondContact O-CB 3.39Å; T544-K548 VanDerWaalsContact O-CG 3.31Å; T544-K548 WeakPolarHBondContact O-CG 3.37Å; T544-K548 PolarHBondContact O-N 3.37Å
545	K	81.7	Confident	84.8	Confident	147 Å²	147	30 Å²	30	64%	0.639	14%	0.144	S	C	*	.	H	α-helix	trans	-57.6	-44	173.8	-174.9	-179.7	178.6	-178.4	0	111	S541 Q542 K543 S549	S541-K545 PolarHBondContact O-N 3.45Å; Q542-K545 WeakPolarHBondContact O-CB 3.49Å; Q542-K545 PolarHBondContact O-N 2.93Å; K543-K545 PolarHBondContact O-N 3.07Å; K545-S549 PolarHBondContact O-N 3.4Å; K545-S549 VanDerWaalsContact O-N 3.13Å
546	F	87.1	Confident	83.5	Confident	13 Å²	13	34.4 Å²	34.4	6%	0.057	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-48.9	175	174.3	-114	0	0	0	112.2	L253 L263 I363 Q542 K543 T544 K548 S549 I550	L253-F546 HydrophobicContact CD2-CD1 4.18Å; L253-F546 HydrophobicContact CD2-CE1 4.26Å; L253-F546 VanDerWaalsContact O-CB 3.27Å; L253-F546 WeakPolarHBondContact O-CB 3.49Å; L263-F546 HydrophobicContact CD2-CZ 4.14Å; I363-F546 HydrophobicContact CG2-CE1 4.41Å; Q542-F546 PolarHBondContact O-N 3.05Å; Q542-F546 VanDerWaalsContact O-N 3.07Å; K543-F546 PolarHBondContact O-N 3.21Å; T544-F546 VanDerWaalsContact C-N 3.26Å; T544-F546 PolarHBondContact O-N 2.72Å; F546-K548 VanDerWaalsContact C-N 3.33Å; F546-K548 PolarHBondContact O-N 3.36Å; F546-S549 WeakPolarHBondContact O-CB 3.33Å; F546-S549 PolarHBondContact O-N 3.35Å; F546-S549 PolarHBondContact O-OG 2.99Å; F546-I550 HydrophobicContact CD1-CD1 4.33Å; F546-I550 HydrophobicContact CE1-CD1 3.67Å; F546-I550 HydrophobicContact CE2-CD1 4.07Å; F546-I550 HydrophobicContact CE2-CG1 4.32Å; F546-I550 HydrophobicContact CZ-CD1 3.54Å; F546-I550 HydrophobicContact CZ-CG1 4.28Å; F546-I550 PolarHBondContact O-N 2.86Å; F546-I550 VanDerWaalsContact O-N 3.16Å
547	L	87.5	Confident	81.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-40.8	179	-68.8	175.5	0	0	0	112.7	L253 I363 E366 L367 F523 K543 T544 S549 I550 Y551	L253-L547 HydrophobicContact CD2-CD2 4.21Å; I363-L547 HydrophobicContact CG2-CD2 4.46Å; E366-L547 HydrophobicContact CB-CD1 3.8Å; E366-L547 HydrophobicContact CB-CD2 3.88Å; L367-L547 HydrophobicContact CD2-CB 3.79Å; L367-L547 HydrophobicContact CD2-CD2 3.88Å; L367-L547 HydrophobicContact CD2-CG 4.35Å; L367-L547 HydrophobicContact CG-CD2 4.06Å; F523-L547 HydrophobicContact CB-CB 4.35Å; F523-L547 HydrophobicContact CB-CD1 3.85Å; F523-L547 HydrophobicContact CD1-CD1 4.49Å; F523-L547 HydrophobicContact CD2-CB 3.56Å; F523-L547 HydrophobicContact CD2-CD1 4.5Å; F523-L547 HydrophobicContact CE2-CB 4.02Å; F523-L547 HydrophobicContact CG-CB 3.94Å; F523-L547 HydrophobicContact CG-CD1 4.04Å; K543-L547 HydrophobicContact CG-CD1 4.02Å; K543-L547 HydrophobicContact CG-CG 4.48Å; K543-L547 WeakPolarHBondContact O-CG 3.46Å; K543-L547 PolarHBondContact O-N 3.13Å; T544-L547 PolarHBondContact O-N 3.01Å; L547-S549 VanDerWaalsContact C-N 3.32Å; L547-S549 PolarHBondContact O-N 2.65Å; L547-I550 PolarHBondContact O-N 3.2Å; L547-Y551 PolarHBondContact O-N 3.2Å
548	K	79.8	Confident	80.2	Confident	22 Å²	22	39.2 Å²	39.2	10%	0.096	20%	0.2	C	C	.	.	H	α-helix	trans	-60.9	-39.8	173.3	-77.1	179.2	165.2	-144	0	112.1	R521 D522 F523 T544 F546 I550 Y551 K552 D561	R521-K548 WeakPolarHBondContact O-CE 3.4Å; D522-K548 IonicContact OD1-NZ 2.7Å; F523-K548 HydrophobicContact CD2-CG 3.91Å; F523-K548 HydrophobicContact CE2-CG 4.08Å; T544-K548 HydrophobicContact CG2-CD 3.82Å; T544-K548 HydrophobicContact CG2-CG 4.07Å; T544-K548 VanDerWaalsContact O-CB 3.32Å; T544-K548 WeakPolarHBondContact O-CB 3.39Å; T544-K548 VanDerWaalsContact O-CG 3.31Å; T544-K548 WeakPolarHBondContact O-CG 3.37Å; T544-K548 PolarHBondContact O-N 3.37Å; F546-K548 VanDerWaalsContact C-N 3.33Å; F546-K548 PolarHBondContact O-N 3.36Å; K548-I550 VanDerWaalsContact C-N 3.28Å; K548-I550 PolarHBondContact O-N 2.88Å; K548-Y551 PolarHBondContact O-N 3.12Å; K548-K552 WeakPolarHBondContact O-CB 3.23Å; K548-K552 PolarHBondContact O-N 3.18Å; K548-D561 WeakPolarHBondContact CD-OD2 3.05Å; K548-D561 IonicContact NZ-OD1 3.02Å; K548-D561 PolarHBondContact NZ-OD1 3.24Å; K548-D561 IonicContact NZ-OD2 3.25Å
549	S	80.2	Confident	78.7	Confident	64 Å²	64	41.2 Å²	41.2	45%	0.448	21%	0.209	S	C	.	.	H	α-helix	trans	-62.4	-35	175.7	79.9	0	0	0	0	112.8	K545 F546 L547	K545-S549 PolarHBondContact O-N 3.4Å; K545-S549 VanDerWaalsContact O-N 3.13Å; F546-S549 WeakPolarHBondContact O-CB 3.33Å; F546-S549 PolarHBondContact O-N 3.35Å; F546-S549 PolarHBondContact O-OG 2.99Å; L547-S549 VanDerWaalsContact C-N 3.32Å; L547-S549 PolarHBondContact O-N 2.65Å
550	I	86.9	Confident	76.8	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-71.3	-48.4	173.2	-62.8	177.1	0	0	0	110.2	L263 L265 I363 F364 L367 F546 L547 K548 K552 S553 L554	L263-I550 HydrophobicContact CD2-CD1 4.26Å; L265-I550 HydrophobicContact CB-CG2 4.04Å; L265-I550 HydrophobicContact CD2-CG2 3.89Å; L265-I550 HydrophobicContact CG-CG2 4.49Å; I363-I550 HydrophobicContact CG2-CD1 3.61Å; F364-I550 HydrophobicContact CE1-CG2 4.21Å; L367-I550 HydrophobicContact CD1-CB 4Å; L367-I550 HydrophobicContact CD1-CG2 3.46Å; L367-I550 VanDerWaalsContact CD1-CG2 3.46Å; F546-I550 HydrophobicContact CD1-CD1 4.33Å; F546-I550 HydrophobicContact CE1-CD1 3.67Å; F546-I550 HydrophobicContact CE2-CD1 4.07Å; F546-I550 HydrophobicContact CE2-CG1 4.32Å; F546-I550 HydrophobicContact CZ-CD1 3.54Å; F546-I550 HydrophobicContact CZ-CG1 4.28Å; F546-I550 PolarHBondContact O-N 2.86Å; F546-I550 VanDerWaalsContact O-N 3.16Å; L547-I550 PolarHBondContact O-N 3.2Å; K548-I550 VanDerWaalsContact C-N 3.28Å; K548-I550 PolarHBondContact O-N 2.88Å; I550-K552 VanDerWaalsContact C-N 3.28Å; I550-K552 PolarHBondContact O-N 3.21Å; I550-S553 PolarHBondContact O-N 3.44Å; I550-L554 HydrophobicContact CG2-CD1 4.27Å; I550-L554 PolarHBondContact O-N 2.88Å
551	Y	81.6	Confident	75	Confident	53 Å²	53	43.2 Å²	43.2	21%	0.208	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-40.3	-178.3	-174.6	-92	0	0	0	112.4	R521 F523 L547 K548 S553 L554 D555 A558	R521-Y551 HydrophobicContact CG-CE1 3.74Å; F523-Y551 HydrophobicContact CE2-CG 4.4Å; F523-Y551 AromaticContact CZ-CD2 3.97Å; F523-Y551 HydrophobicContact CZ-CD2 3.97Å; F523-Y551 HydrophobicContact CZ-CG 4.11Å; L547-Y551 PolarHBondContact O-N 3.2Å; K548-Y551 PolarHBondContact O-N 3.12Å; Y551-S553 PolarHBondContact O-N 2.94Å; Y551-L554 WeakPolarHBondContact O-CA 3.38Å; Y551-L554 WeakPolarHBondContact O-CB 3.39Å; Y551-L554 PolarHBondContact O-N 2.81Å; Y551-D555 HydrophobicContact CE1-CB 4.17Å; Y551-D555 PolarHBondContact O-N 3.28Å; Y551-A558 HydrophobicContact CE1-CB 4.38Å
552	K	76.3	Confident	73.4	Confident	101 Å²	101	43.3 Å²	43.3	44%	0.439	23%	0.226	S	C	.	.	H	α-helix	trans	-55.7	-36.3	175.1	-177.2	177.8	178.7	178.3	0	112.8	K548 I550 L554 D555	K548-K552 WeakPolarHBondContact O-CB 3.23Å; K548-K552 PolarHBondContact O-N 3.18Å; I550-K552 VanDerWaalsContact C-N 3.28Å; I550-K552 PolarHBondContact O-N 3.21Å; K552-L554 VanDerWaalsContact C-N 3.34Å; K552-D555 CarbonylContact O-C 3.58Å
553	S	80.9	Confident	72	Confident	25 Å²	25	42.8 Å²	42.8	18%	0.175	22%	0.223	C	C	.	.	H	α-helix	trans	-79.1	-18.4	177.5	-64.1	0	0	0	0	112.9	L265 N267 I550 Y551	L265-S553 VanDerWaalsContact O-CB 3.31Å; L265-S553 WeakPolarHBondContact O-CB 3.39Å; L265-S553 PolarHBondContact O-OG 2.85Å; N267-S553 WeakPolarHBondContact CB-O 3.4Å; N267-S553 PolarHBondContact ND2-O 3.44Å; I550-S553 PolarHBondContact O-N 3.44Å; Y551-S553 PolarHBondContact O-N 2.94Å
554	L	82.1	Confident	70.4	Confident	26 Å²	26	42.2 Å²	42.2	14%	0.136	22%	0.221	C	C	.	.	H	α-helix	trans	-83.4	-37.3	175.8	-64.4	174.1	0	0	0	113.1	L265 P271 F364 L367 Y369 M375 I550 Y551 K552	L265-L554 HydrophobicContact CD2-CD1 4.4Å; L265-L554 HydrophobicContact CD2-CD2 3.24Å; L265-L554 HydrophobicContact CD2-CG 3.44Å; L265-L554 VanDerWaalsContact CD2-CG 3.44Å; P271-L554 HydrophobicContact CB-CD2 4.21Å; F364-L554 HydrophobicContact CE1-CD1 4.43Å; L367-L554 HydrophobicContact CD1-CD1 4.27Å; Y369-L554 HydrophobicContact CD1-CD1 4.19Å; Y369-L554 HydrophobicContact CD1-CD2 4.47Å; Y369-L554 HydrophobicContact CD2-CD1 3.9Å; Y369-L554 HydrophobicContact CE1-CD1 4.47Å; Y369-L554 HydrophobicContact CE1-CD2 4.01Å; Y369-L554 HydrophobicContact CE2-CB 4.49Å; Y369-L554 HydrophobicContact CE2-CD1 4.16Å; Y369-L554 HydrophobicContact CE2-CD2 4.25Å; Y369-L554 HydrophobicContact CG-CD1 3.89Å; M375-L554 HydrophobicContact CE-CD2 3.13Å; M375-L554 HydrophobicContact SD-CD2 4.27Å; I550-L554 HydrophobicContact CG2-CD1 4.27Å; I550-L554 PolarHBondContact O-N 2.88Å; Y551-L554 WeakPolarHBondContact O-CA 3.38Å; Y551-L554 WeakPolarHBondContact O-CB 3.39Å; Y551-L554 PolarHBondContact O-N 2.81Å; K552-L554 VanDerWaalsContact C-N 3.34Å
555	D	72.6	Confident	69.2	Low	41 Å²	41	42.4 Å²	42.4	22%	0.219	22%	0.222	C	C	.	.			trans	-118	90.2	179.1	178.7	17.5	0	0	0	108.4	R521 Y551 K552 N557 A558	R521-D555 IonicContact CZ-OD2 3.02Å; R521-D555 IonicContact NH1-OD2 2.9Å; R521-D555 PolarHBondContact NH1-OD2 2.91Å; R521-D555 IonicContact NH2-OD2 3.75Å; R521-D555 PolarHBondContact NH2-OD2 3.03Å; R521-D555 VanDerWaalsContact NH2-OD2 3.09Å; Y551-D555 HydrophobicContact CE1-CB 4.17Å; Y551-D555 PolarHBondContact O-N 3.28Å; K552-D555 CarbonylContact O-C 3.58Å; D555-N557 PolarHBondContact O-N 3.43Å; D555-N557 WeakPolarHBondContact OD1-CB 3.35Å; D555-N557 PolarHBondContact OD1-N 2.98Å; D555-A558 HydrophobicContact CB-CB 3.94Å; D555-A558 VanDerWaalsContact CG-N 3.29Å; D555-A558 WeakPolarHBondContact O-CA 3.45Å; D555-A558 WeakPolarHBondContact O-CB 3.42Å; D555-A558 PolarHBondContact O-N 3.23Å; D555-A558 PolarHBondContact OD1-N 3.16Å; D555-A558 VanDerWaalsContact OD1-N 3.13Å; D555-A558 WeakPolarHBondContact OD2-CA 3.46Å; D555-A558 WeakPolarHBondContact OD2-CB 3.46Å; D555-A558 PolarHBondContact OD2-N 3.31Å
556	T	62.2	Low	68.3	Low	94 Å²	94	38 Å²	38	58%	0.577	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.1	177	47.2	0	0	0	0	112.7	N267	N267-T556 WeakPolarHBondContact ND2-CG2 3.44Å
557	N	55.6	Low	67.5	Low	102 Å²	102	37.5 Å²	37.5	55%	0.545	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.2	172.3	-65.8	-40.5	0	0	0	112.2	D555 E559	D555-N557 PolarHBondContact O-N 3.43Å; D555-N557 WeakPolarHBondContact OD1-CB 3.35Å; D555-N557 PolarHBondContact OD1-N 2.98Å; N557-E559 PolarHBondContact O-N 3.43Å
558	A	55.9	Low	66.9	Low	16 Å²	16	38.1 Å²	38.1	13%	0.132	20%	0.204	C	C	.	.	S	Bend	trans	-54.1	127.5	175.4	0	0	0	0	0	109	Y551 D555	Y551-A558 HydrophobicContact CE1-CB 4.38Å; D555-A558 HydrophobicContact CB-CB 3.94Å; D555-A558 VanDerWaalsContact CG-N 3.29Å; D555-A558 WeakPolarHBondContact O-CA 3.45Å; D555-A558 WeakPolarHBondContact O-CB 3.42Å; D555-A558 PolarHBondContact O-N 3.23Å; D555-A558 PolarHBondContact OD1-N 3.16Å; D555-A558 VanDerWaalsContact OD1-N 3.13Å; D555-A558 WeakPolarHBondContact OD2-CA 3.46Å; D555-A558 WeakPolarHBondContact OD2-CB 3.46Å; D555-A558 PolarHBondContact OD2-N 3.31Å
559	E	54.8	Low	67	Low	44 Å²	44	37.1 Å²	37.1	21%	0.206	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-56.1	133.8	165.4	-82.3	-174.5	-172.6	0	0	108.3	L513 N557 K579	L513-E559 HydrophobicContact CD2-CB 4.05Å; L513-E559 HydrophobicContact CD2-CG 4.21Å; L513-E559 WeakPolarHBondContact CD2-OE2 3.43Å; L513-E559 WeakPolarHBondContact CG-OE2 3.33Å; N557-E559 PolarHBondContact O-N 3.43Å; E559-K579 HydrophobicContact CG-CD 4.32Å; E559-K579 VanDerWaalsContact CG-NZ 3.29Å; E559-K579 IonicContact OE1-NZ 2.77Å
560	P	52.3	Low	66.9	Low	21 Å²	21	34.4 Å²	34.4	14%	0.136	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-51.6	149	173.9	22.3	-31.9	0	0	0	108.2	I508 A562 Y568	I508-P560 HydrophobicContact CD1-CG 4.29Å; P560-A562 HydrophobicContact CB-CB 4.36Å; P560-A562 HydrophobicContact CG-CB 4.24Å; P560-A562 PolarHBondContact O-N 3.36Å; P560-Y568 HydrophobicContact CB-CE1 3.91Å; P560-Y568 HydrophobicContact CB-CE2 3.87Å; P560-Y568 WeakPolarHBondContact CB-OH 3.35Å; P560-Y568 HydrophobicContact CG-CD1 4.1Å; P560-Y568 HydrophobicContact CG-CE1 3.21Å; P560-Y568 HydrophobicContact CG-CE2 4.14Å; P560-Y568 WeakPolarHBondContact CG-OH 3.45Å
561	D	52.1	Low	66.5	Low	83 Å²	83	34.9 Å²	34.9	44%	0.444	19%	0.187	S	C	.	.	S	Bend	trans	-66.7	48.9	170.7	-81.2	-59.5	0	0	0	111.1	K548	K548-D561 WeakPolarHBondContact CD-OD2 3.05Å; K548-D561 IonicContact NZ-OD1 3.02Å; K548-D561 PolarHBondContact NZ-OD1 3.24Å; K548-D561 IonicContact NZ-OD2 3.25Å
562	A	50.4	Low	66.2	Low	7 Å²	7	34.1 Å²	34.1	6%	0.058	19%	0.189	C	C	.	.			trans	-91	104	174.5	0	0	0	0	0	107.1	I508 P560 Y568	I508-A562 HydrophobicContact CD1-CB 4.41Å; P560-A562 HydrophobicContact CB-CB 4.36Å; P560-A562 HydrophobicContact CG-CB 4.24Å; P560-A562 PolarHBondContact O-N 3.36Å; A562-Y568 HydrophobicContact CB-CD1 3.46Å; A562-Y568 VanDerWaalsContact CB-CD1 3.46Å; A562-Y568 HydrophobicContact CB-CD2 3.73Å; A562-Y568 HydrophobicContact CB-CE1 4.11Å; A562-Y568 HydrophobicContact CB-CE2 4.33Å; A562-Y568 HydrophobicContact CB-CG 3.26Å
563	F	58.3	Low	66.2	Low	24 Å²	24	30 Å²	30	11%	0.105	17%	0.174	C	C	.	.			trans	-57.7	147.5	169.8	-60.3	-76.4	0	0	0	109.7	M446 I447 F565 M566	M446-F563 HydrophobicContact CB-CD1 3.97Å; M446-F563 HydrophobicContact CB-CE1 4.15Å; I447-F563 HydrophobicContact CG1-CE1 4.4Å; F563-F565 PolarHBondContact O-N 3.46Å; F563-M566 HydrophobicContact CB-CB 4.23Å; F563-M566 HydrophobicContact CD2-CB 4.47Å; F563-M566 PolarHBondContact O-N 2.94Å
564	T	55.4	Low	65.8	Low	1 Å²	1	37 Å²	37	1%	0.006	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-22	175.7	-64.8	0	0	0	0	112.4	E450 L454 T509 S510 A582 G583	E450-T564 VanDerWaalsContact CD-CB 3.47Å; E450-T564 VanDerWaalsContact CD-OG1 3.26Å; E450-T564 VanDerWaalsContact OE1-CB 3.24Å; E450-T564 WeakPolarHBondContact OE1-CB 3.32Å; E450-T564 PolarHBondContact OE1-OG1 3.07Å; L454-T564 HydrophobicContact CD1-CG2 4.31Å; L454-T564 HydrophobicContact CD2-CG2 4.19Å; T509-T564 WeakPolarHBondContact CA-OG1 3.4Å; S510-T564 PolarHBondContact N-OG1 2.9Å; S510-T564 VanDerWaalsContact N-OG1 3.11Å; T564-A582 HydrophobicContact CG2-CB 3.45Å; T564-A582 VanDerWaalsContact CG2-CB 3.45Å; T564-A582 CarbonylContact O-C 3.15Å; T564-A582 WeakPolarHBondContact O-CA 3.01Å; T564-A582 VanDerWaalsContact O-CB 3.24Å; T564-A582 WeakPolarHBondContact O-CB 3.39Å; T564-A582 PolarHBondContact O-N 3.47Å; T564-A582 VanDerWaalsContact O-N 3.08Å; T564-G583 PolarHBondContact O-N 3.23Å
565	F	58.7	Low	65.6	Low	5 Å²	5	39.6 Å²	39.6	2%	0.022	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-12.7	177.9	-39.7	-54.7	0	0	0	115.6	T161 V163 E450 F453 L454 F563 P567 G583	T161-F565 WeakPolarHBondContact CA-O 3.07Å; V163-F565 HydrophobicContact CG2-CB 4.25Å; E450-F565 HydrophobicContact CB-CE2 3.81Å; E450-F565 HydrophobicContact CB-CZ 4.02Å; E450-F565 HydrophobicContact CG-CD2 4.47Å; E450-F565 HydrophobicContact CG-CE1 4.31Å; E450-F565 HydrophobicContact CG-CE2 3.52Å; E450-F565 HydrophobicContact CG-CZ 3.39Å; F453-F565 HydrophobicContact CB-CD2 4.46Å; F453-F565 HydrophobicContact CB-CE1 4.27Å; F453-F565 HydrophobicContact CB-CE2 3.56Å; F453-F565 HydrophobicContact CB-CZ 3.45Å; F453-F565 VanDerWaalsContact CB-CZ 3.45Å; F453-F565 AromaticContact CD1-CD1 3.35Å; F453-F565 HydrophobicContact CD1-CD1 3.35Å; F453-F565 HydrophobicContact CD1-CD2 4.12Å; F453-F565 AromaticContact CD1-CE1 2.87Å; F453-F565 HydrophobicContact CD1-CE1 2.87Å; F453-F565 AromaticContact CD1-CE2 3.66Å; F453-F565 HydrophobicContact CD1-CE2 3.66Å; F453-F565 AromaticContact CD1-CG 3.97Å; F453-F565 HydrophobicContact CD1-CG 3.97Å; F453-F565 AromaticContact CD1-CZ 3.02Å; F453-F565 HydrophobicContact CD1-CZ 3.02Å; F453-F565 HydrophobicContact CD2-CE2 4.46Å; F453-F565 AromaticContact CE1-CD1 3.2Å; F453-F565 HydrophobicContact CE1-CD1 3.2Å; F453-F565 HydrophobicContact CE1-CD2 4.49Å; F453-F565 AromaticContact CE1-CE1 3.22Å; F453-F565 HydrophobicContact CE1-CE1 3.22Å; F453-F565 HydrophobicContact CE1-CE2 4.42Å; F453-F565 AromaticContact CE1-CG 3.91Å; F453-F565 HydrophobicContact CE1-CG 3.91Å; F453-F565 AromaticContact CE1-CZ 3.85Å; F453-F565 HydrophobicContact CE1-CZ 3.85Å; F453-F565 HydrophobicContact CG-CD1 4.17Å; F453-F565 HydrophobicContact CG-CD2 4.15Å; F453-F565 AromaticContact CG-CE1 3.76Å; F453-F565 HydrophobicContact CG-CE1 3.76Å; F453-F565 AromaticContact CG-CE2 3.63Å; F453-F565 HydrophobicContact CG-CE2 3.63Å; F453-F565 HydrophobicContact CG-CG 4.37Å; F453-F565 AromaticContact CG-CZ 3.43Å; F453-F565 HydrophobicContact CG-CZ 3.43Å; F453-F565 VanDerWaalsContact CG-CZ 3.43Å; F453-F565 HydrophobicContact CZ-CD1 4.05Å; F453-F565 HydrophobicContact CZ-CE1 4.37Å; F453-F565 HydrophobicContact CZ-CG 4.41Å; L454-F565 HydrophobicContact CD2-CE1 3.92Å; L454-F565 HydrophobicContact CD2-CZ 4.47Å; L454-F565 HydrophobicContact CG-CE1 3.85Å; L454-F565 HydrophobicContact CG-CZ 3.89Å; F563-F565 PolarHBondContact O-N 3.46Å; F565-P567 WeakPolarHBondContact O-CD 3.43Å; F565-G583 VanDerWaalsContact C-CA 3.43Å; F565-G583 WeakPolarHBondContact O-CA 3.24Å
566	M	64.1	Low	66.3	Low	55 Å²	55	42.3 Å²	42.3	27%	0.271	23%	0.228	S	C	.	.	S	Bend	trans	-82.3	119.8	176.5	-175.1	163.3	72.9	0	0	107.7	F563 Y568 S581 N709	F563-M566 HydrophobicContact CB-CB 4.23Å; F563-M566 HydrophobicContact CD2-CB 4.47Å; F563-M566 PolarHBondContact O-N 2.94Å; M566-Y568 PolarHBondContact O-N 3.43Å; M566-Y568 VanDerWaalsContact O-N 3.09Å; M566-S581 WeakPolarHBondContact O-CB 3.19Å; M566-S581 PolarHBondContact O-OG 3.46Å; M566-N709 WeakPolarHBondContact CG-ND2 2.89Å
567	P	70.5	Confident	67.5	Low	1 Å²	1	39.8 Å²	39.8	1%	0.006	21%	0.211	C	C	.	.			trans	-60.1	119.6	-178.2	-14.4	24.5	0	0	0	109.8	P160 F565 L584 Y589 V705 N709	P160-P567 WeakPolarHBondContact O-CD 3.32Å; P160-P567 WeakPolarHBondContact O-CG 3.44Å; F565-P567 WeakPolarHBondContact O-CD 3.43Å; P567-L584 HydrophobicContact CB-CD2 3.6Å; P567-L584 HydrophobicContact CB-CG 3.7Å; P567-Y589 HydrophobicContact CB-CD2 4.23Å; P567-Y589 HydrophobicContact CB-CE2 3.73Å; P567-Y589 HydrophobicContact CG-CD2 4.08Å; P567-Y589 HydrophobicContact CG-CE2 3.33Å; P567-V705 HydrophobicContact CB-CG1 4.07Å; P567-V705 HydrophobicContact CB-CG2 3.75Å; P567-V705 HydrophobicContact CG-CG2 3.89Å; P567-N709 WeakPolarHBondContact O-CB 3.17Å; P567-N709 PolarHBondContact O-ND2 2.91Å
568	Y	74	Confident	69	Low	13 Å²	13	35 Å²	35	5%	0.051	19%	0.185	C	C	.	.			trans	-147	138.3	-173	175.1	-88.5	0	0	0	109.8	I508 P560 A562 M566 S570 I580 S581 L584 N709 Q711	I508-Y568 HydrophobicContact CD1-CD1 4.4Å; P560-Y568 HydrophobicContact CB-CE1 3.91Å; P560-Y568 HydrophobicContact CB-CE2 3.87Å; P560-Y568 WeakPolarHBondContact CB-OH 3.35Å; P560-Y568 HydrophobicContact CG-CD1 4.1Å; P560-Y568 HydrophobicContact CG-CE1 3.21Å; P560-Y568 HydrophobicContact CG-CE2 4.14Å; P560-Y568 WeakPolarHBondContact CG-OH 3.45Å; A562-Y568 HydrophobicContact CB-CD1 3.46Å; A562-Y568 VanDerWaalsContact CB-CD1 3.46Å; A562-Y568 HydrophobicContact CB-CD2 3.73Å; A562-Y568 HydrophobicContact CB-CE1 4.11Å; A562-Y568 HydrophobicContact CB-CE2 4.33Å; A562-Y568 HydrophobicContact CB-CG 3.26Å; M566-Y568 PolarHBondContact O-N 3.43Å; M566-Y568 VanDerWaalsContact O-N 3.09Å; Y568-S570 WeakPolarHBondContact CE1-OG 3.25Å; Y568-S570 WeakPolarHBondContact OH-CB 3.48Å; Y568-S570 PolarHBondContact OH-OG 3.48Å; Y568-I580 CarbonylContact O-C 3.51Å; Y568-I580 VanDerWaalsContact O-CA 3.31Å; Y568-I580 WeakPolarHBondContact O-CA 3.38Å; Y568-S581 PolarHBondContact N-OG 3.33Å; Y568-S581 PolarHBondContact O-N 3.46Å; Y568-L584 VanDerWaalsContact O-CD1 3.26Å; Y568-L584 WeakPolarHBondContact O-CD1 3.49Å; Y568-N709 HydrophobicContact CD2-CB 4Å; Y568-N709 VanDerWaalsContact CD2-O 3.27Å; Y568-N709 WeakPolarHBondContact CD2-O 3.43Å; Y568-N709 WeakPolarHBondContact CE2-O 3.27Å; Y568-Q711 PolarHBondContact OH-OE1 2.75Å
569	I	81.3	Confident	70.3	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.7	169.2	178.2	175.2	0	0	0	110.6	I578 K579 I580 L584 F606 Q610 L710	I569-I578 HydrophobicContact CD1-CG2 4.06Å; I569-I578 HydrophobicContact CG1-CG2 4.03Å; I569-K579 WeakPolarHBondContact CA-O 3.45Å; I569-I580 HydrophobicContact CB-CG2 3.85Å; I569-I580 HydrophobicContact CD1-CG2 3.5Å; I569-I580 VanDerWaalsContact CD1-CG2 3.5Å; I569-I580 HydrophobicContact CG1-CG2 3.55Å; I569-L584 HydrophobicContact CB-CD1 3.77Å; I569-L584 HydrophobicContact CG2-CD1 3.84Å; I569-F606 WeakPolarHBondContact CD1-O 3.28Å; I569-F606 HydrophobicContact CG2-CD1 4.25Å; I569-Q610 HydrophobicContact CD1-CB 3.55Å; I569-Q610 HydrophobicContact CD1-CG 4.11Å; I569-Q610 HydrophobicContact CG1-CB 3.96Å; I569-Q610 HydrophobicContact CG1-CG 3.95Å; I569-L710 HydrophobicContact CB-CD2 4.25Å; I569-L710 HydrophobicContact CG2-CD2 3.01Å; I569-L710 HydrophobicContact CG2-CG 4.45Å
570	S	78.5	Confident	71.6	Confident	7 Å²	7	33.6 Å²	33.6	5%	0.049	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.1	173.5	58.9	0	0	0	0	111.1	Y568 I578 K579	Y568-S570 WeakPolarHBondContact CE1-OG 3.25Å; Y568-S570 WeakPolarHBondContact OH-CB 3.48Å; Y568-S570 PolarHBondContact OH-OG 3.48Å; S570-I578 CarbonylContact O-C 3.57Å; S570-I578 WeakPolarHBondContact O-CA 3.43Å; S570-K579 PolarHBondContact N-O 2.95Å; S570-K579 PolarHBondContact O-N 2.97Å
571	G	78.2	Confident	72.8	Confident	13 Å²	13	32.6 Å²	32.6	13%	0.134	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	162.3	168.4	0	0	0	0	0	111.8	L577 E614	G571-L577 CarbonylContact C-O 3.4Å; G571-L577 WeakPolarHBondContact CA-O 3.43Å; G571-E614 VanDerWaalsContact C-CD 3.41Å; G571-E614 VanDerWaalsContact CA-CD 3.43Å; G571-E614 WeakPolarHBondContact CA-OE1 3.4Å
572	S	76.2	Confident	73.8	Confident	36 Å²	36	29.2 Å²	29.2	25%	0.252	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	111.2	166.3	167.5	0	0	0	0	106.8	E574 N575 K576 L577	S572-E574 VanDerWaalsContact C-N 3.28Å; S572-E574 PolarHBondContact O-N 3.34Å; S572-N575 PolarHBondContact O-N 3.05Å; S572-N575 WeakPolarHBondContact OG-CB 3.31Å; S572-N575 PolarHBondContact OG-N 3.22Å; S572-N575 VanDerWaalsContact OG-N 3.15Å; S572-N575 PolarHBondContact OG-ND2 3.31Å; S572-K576 WeakPolarHBondContact O-CA 3.48Å; S572-K576 PolarHBondContact O-N 3.04Å; S572-L577 PolarHBondContact N-O 3.36Å; S572-L577 PolarHBondContact O-N 3.44Å; S572-L577 VanDerWaalsContact O-N 3.12Å
573	A	75.7	Confident	74.9	Confident	15 Å²	15	28.9 Å²	28.9	12%	0.124	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-31.4	177.5	0	0	0	0	0	112.8	F503 K576 E614 N618	F503-A573 HydrophobicContact CZ-CB 4.16Å; A573-K576 WeakPolarHBondContact O-CG 3.23Å; A573-K576 PolarHBondContact O-N 3.11Å; A573-E614 PolarHBondContact N-OE2 2.97Å; A573-N618 WeakPolarHBondContact CB-OD1 3.06Å
574	E	72.7	Confident	75.9	Confident	172 Å²	172	27.8 Å²	27.8	80%	0.804	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-50.8	172.5	-174.6	-178.4	-173.4	0	0	111.5	S572 K576	S572-E574 VanDerWaalsContact C-N 3.28Å; S572-E574 PolarHBondContact O-N 3.34Å; E574-K576 VanDerWaalsContact C-N 3.28Å; E574-K576 PolarHBondContact O-N 3.47Å
575	N	77.6	Confident	77.1	Confident	81 Å²	81	28.1 Å²	28.1	43%	0.433	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-6.6	179.6	-70.2	-42.5	0	0	0	113.5	S572 L577	S572-N575 PolarHBondContact O-N 3.05Å; S572-N575 WeakPolarHBondContact OG-CB 3.31Å; S572-N575 PolarHBondContact OG-N 3.22Å; S572-N575 VanDerWaalsContact OG-N 3.15Å; S572-N575 PolarHBondContact OG-ND2 3.31Å; N575-L577 HydrophobicContact CB-CB 4.22Å; N575-L577 PolarHBondContact O-N 3.2Å
576	K	87.8	Confident	77.7	Confident	98 Å²	98	28.4 Å²	28.4	43%	0.426	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	45.1	-175.6	-61	162.2	167.6	-175.5	0	111.8	S502 F503 Q504 S572 A573 E574	S502-K576 WeakPolarHBondContact O-CB 3.34Å; S502-K576 VanDerWaalsContact OG-CD 3.27Å; S502-K576 WeakPolarHBondContact OG-CD 3.21Å; S502-K576 WeakPolarHBondContact OG-CE 2.67Å; F503-K576 CarbonylContact C-O 3.04Å; F503-K576 VanDerWaalsContact CA-O 3.29Å; F503-K576 WeakPolarHBondContact CA-O 3.03Å; F503-K576 VanDerWaalsContact CD1-C 3.41Å; F503-K576 HydrophobicContact CD1-CB 4.43Å; Q504-K576 PolarHBondContact N-O 3.16Å; S572-K576 WeakPolarHBondContact O-CA 3.48Å; S572-K576 PolarHBondContact O-N 3.04Å; A573-K576 WeakPolarHBondContact O-CG 3.23Å; A573-K576 PolarHBondContact O-N 3.11Å; E574-K576 VanDerWaalsContact C-N 3.28Å; E574-K576 PolarHBondContact O-N 3.47Å
577	L	86.6	Confident	78	Confident	41 Å²	41	27.9 Å²	27.9	22%	0.215	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126.6	-171.2	-174.5	62.6	0	0	0	110.4	Q504 G571 S572 N575 K579	Q504-L577 HydrophobicContact CB-CD1 4.09Å; G571-L577 CarbonylContact C-O 3.4Å; G571-L577 WeakPolarHBondContact CA-O 3.43Å; S572-L577 PolarHBondContact N-O 3.36Å; S572-L577 PolarHBondContact O-N 3.44Å; S572-L577 VanDerWaalsContact O-N 3.12Å; N575-L577 HydrophobicContact CB-CB 4.22Å; N575-L577 PolarHBondContact O-N 3.2Å; L577-K579 HydrophobicContact CD2-CD 4.37Å; L577-K579 HydrophobicContact CD2-CG 4.13Å; L577-K579 HydrophobicContact CG-CG 4.07Å
578	I	88.1	Confident	78	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.7	166.5	-64.5	172	0	0	0	107.2	F471 F503 Q504 L505 S506 I569 S570 Q610 L611	F471-I578 HydrophobicContact CE2-CD1 3.88Å; F471-I578 HydrophobicContact CZ-CD1 4.24Å; F503-I578 HydrophobicContact CD1-CD1 4.42Å; F503-I578 HydrophobicContact CD1-CG1 4.14Å; Q504-I578 PolarHBondContact O-N 3.07Å; L505-I578 CarbonylContact C-O 3.51Å; L505-I578 WeakPolarHBondContact CA-O 3.4Å; L505-I578 HydrophobicContact CD1-CB 4.11Å; L505-I578 HydrophobicContact CD1-CG2 3.71Å; S506-I578 PolarHBondContact N-O 2.86Å; I569-I578 HydrophobicContact CD1-CG2 4.06Å; I569-I578 HydrophobicContact CG1-CG2 4.03Å; S570-I578 CarbonylContact O-C 3.57Å; S570-I578 WeakPolarHBondContact O-CA 3.43Å; I578-Q610 HydrophobicContact CD1-CG 4.36Å; I578-Q610 HydrophobicContact CG1-CG 4.26Å; I578-Q610 HydrophobicContact CG2-CB 4.37Å; I578-Q610 HydrophobicContact CG2-CG 4Å; I578-L611 HydrophobicContact CD1-CB 3.98Å; I578-L611 HydrophobicContact CD1-CD1 4.03Å
579	K	83.5	Confident	78.1	Confident	31 Å²	31	28.7 Å²	28.7	14%	0.135	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.4	177.9	-59.4	-175	-177.3	-178.1	0	108.8	S506 I508 E559 I569 S570 L577	S506-K579 CarbonylContact O-C 3.57Å; S506-K579 VanDerWaalsContact O-CA 3.29Å; S506-K579 WeakPolarHBondContact O-CA 3.18Å; I508-K579 HydrophobicContact CD1-CB 3.91Å; I508-K579 HydrophobicContact CD1-CD 4.27Å; I508-K579 HydrophobicContact CG1-CB 4.16Å; E559-K579 HydrophobicContact CG-CD 4.32Å; E559-K579 VanDerWaalsContact CG-NZ 3.29Å; E559-K579 IonicContact OE1-NZ 2.77Å; I569-K579 WeakPolarHBondContact CA-O 3.45Å; S570-K579 PolarHBondContact N-O 2.95Å; S570-K579 PolarHBondContact O-N 2.97Å; L577-K579 HydrophobicContact CD2-CD 4.37Å; L577-K579 HydrophobicContact CD2-CG 4.13Å; L577-K579 HydrophobicContact CG-CG 4.07Å
580	I	82.5	Confident	78.1	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.2	170.3	63.1	173.4	0	0	0	109.6	V467 L505 S506 I507 I508 Y568 I569 L584 L585	V467-I580 HydrophobicContact CG1-CD1 3.66Å; L505-I580 HydrophobicContact CD1-CD1 4.31Å; L505-I580 HydrophobicContact CD1-CG1 4.08Å; L505-I580 HydrophobicContact CD1-CG2 3.83Å; L505-I580 HydrophobicContact CD2-CD1 4.16Å; S506-I580 PolarHBondContact O-N 3.5Å; I507-I580 CarbonylContact C-O 3.55Å; I507-I580 WeakPolarHBondContact CA-O 3.49Å; I507-I580 HydrophobicContact CB-CG1 4.33Å; I507-I580 HydrophobicContact CD1-CD1 4.44Å; I507-I580 HydrophobicContact CG1-CD1 3.99Å; I507-I580 HydrophobicContact CG1-CG1 3.87Å; I507-I580 HydrophobicContact CG2-CG1 4.35Å; I508-I580 PolarHBondContact N-O 3.11Å; Y568-I580 CarbonylContact O-C 3.51Å; Y568-I580 VanDerWaalsContact O-CA 3.31Å; Y568-I580 WeakPolarHBondContact O-CA 3.38Å; I569-I580 HydrophobicContact CB-CG2 3.85Å; I569-I580 HydrophobicContact CD1-CG2 3.5Å; I569-I580 VanDerWaalsContact CD1-CG2 3.5Å; I569-I580 HydrophobicContact CG1-CG2 3.55Å; I580-L584 HydrophobicContact CB-CD1 4.37Å; I580-L584 HydrophobicContact CG2-CD1 4.41Å; I580-L585 HydrophobicContact CD1-CD2 4.03Å
581	S	76.8	Confident	78	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	156.1	170.1	69.1	0	0	0	0	111.2	M566 Y568 G583 L584	M566-S581 WeakPolarHBondContact O-CB 3.19Å; M566-S581 PolarHBondContact O-OG 3.46Å; Y568-S581 PolarHBondContact N-OG 3.33Å; Y568-S581 PolarHBondContact O-N 3.46Å; S581-G583 PolarHBondContact O-N 3Å; S581-G583 PolarHBondContact OG-N 3.13Å; S581-L584 PolarHBondContact O-N 3.15Å
582	A	74	Confident	77.8	Confident	13 Å²	13	41.1 Å²	41.1	11%	0.107	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-64	-9.4	172.6	0	0	0	0	0	113.4	I508 T564 L584 L585 N586	I508-A582 PolarHBondContact O-N 3.09Å; I508-A582 VanDerWaalsContact O-N 3.16Å; T564-A582 HydrophobicContact CG2-CB 3.45Å; T564-A582 VanDerWaalsContact CG2-CB 3.45Å; T564-A582 CarbonylContact O-C 3.15Å; T564-A582 WeakPolarHBondContact O-CA 3.01Å; T564-A582 VanDerWaalsContact O-CB 3.24Å; T564-A582 WeakPolarHBondContact O-CB 3.39Å; T564-A582 PolarHBondContact O-N 3.47Å; T564-A582 VanDerWaalsContact O-N 3.08Å; A582-L584 VanDerWaalsContact C-N 3.29Å; A582-L584 PolarHBondContact O-N 3Å; A582-L585 HydrophobicContact CB-CD1 4.43Å; A582-L585 CarbonylContact O-C 3.59Å; A582-L585 WeakPolarHBondContact O-CA 3.35Å; A582-L585 VanDerWaalsContact O-CB 3.28Å; A582-L585 WeakPolarHBondContact O-CB 3.39Å; A582-L585 PolarHBondContact O-N 3.14Å; A582-N586 PolarHBondContact O-ND2 2.99Å
583	G	72.8	Confident	78.1	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-65.3	-35	175.4	0	0	0	0	0	111.8	T564 F565 S581 L585 N586	T564-G583 PolarHBondContact O-N 3.23Å; F565-G583 VanDerWaalsContact C-CA 3.43Å; F565-G583 WeakPolarHBondContact O-CA 3.24Å; S581-G583 PolarHBondContact O-N 3Å; S581-G583 PolarHBondContact OG-N 3.13Å; G583-L585 PolarHBondContact O-N 3.37Å; G583-N586 PolarHBondContact O-N 3.41Å
584	L	79	Confident	78.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-70.7	-11.5	170.1	-78.7	174	0	0	0	112.9	P567 Y568 I569 I580 S581 A582 N586 Y589 I603 F606	P567-L584 HydrophobicContact CB-CD2 3.6Å; P567-L584 HydrophobicContact CB-CG 3.7Å; Y568-L584 VanDerWaalsContact O-CD1 3.26Å; Y568-L584 WeakPolarHBondContact O-CD1 3.49Å; I569-L584 HydrophobicContact CB-CD1 3.77Å; I569-L584 HydrophobicContact CG2-CD1 3.84Å; I580-L584 HydrophobicContact CB-CD1 4.37Å; I580-L584 HydrophobicContact CG2-CD1 4.41Å; S581-L584 PolarHBondContact O-N 3.15Å; A582-L584 VanDerWaalsContact C-N 3.29Å; A582-L584 PolarHBondContact O-N 3Å; L584-N586 VanDerWaalsContact C-N 3.29Å; L584-Y589 HydrophobicContact CD2-CD1 4.18Å; L584-Y589 HydrophobicContact CD2-CD2 4.23Å; L584-Y589 HydrophobicContact CD2-CG 4.01Å; L584-Y589 VanDerWaalsContact O-CB 3.27Å; L584-Y589 WeakPolarHBondContact O-CB 3.48Å; L584-I603 HydrophobicContact CB-CD1 3.77Å; L584-I603 HydrophobicContact CD1-CD1 4.41Å; L584-I603 HydrophobicContact CG-CD1 4.48Å; L584-F606 HydrophobicContact CD2-CD2 4.05Å; L584-F606 HydrophobicContact CD2-CE2 4.04Å; L584-F606 HydrophobicContact CD2-CG 4.28Å; L584-F606 HydrophobicContact CD2-CZ 4.28Å
585	L	80.9	Confident	79.6	Confident	8 Å²	8	38.6 Å²	38.6	4%	0.042	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-95.7	20	176.5	-48.6	-174	0	0	0	112.2	I462 V467 I507 I580 A582 G583 L590 I603	I462-L585 WeakPolarHBondContact CD1-O 3.32Å; I462-L585 HydrophobicContact CG2-CB 4.28Å; V467-L585 HydrophobicContact CG1-CD2 4.21Å; V467-L585 HydrophobicContact CG2-CD2 3.74Å; I507-L585 HydrophobicContact CD1-CD1 4.19Å; I507-L585 HydrophobicContact CG2-CD1 3.77Å; I580-L585 HydrophobicContact CD1-CD2 4.03Å; A582-L585 HydrophobicContact CB-CD1 4.43Å; A582-L585 CarbonylContact O-C 3.59Å; A582-L585 WeakPolarHBondContact O-CA 3.35Å; A582-L585 VanDerWaalsContact O-CB 3.28Å; A582-L585 WeakPolarHBondContact O-CB 3.39Å; A582-L585 PolarHBondContact O-N 3.14Å; G583-L585 PolarHBondContact O-N 3.37Å; L585-L590 HydrophobicContact CB-CD2 4.44Å; L585-L590 HydrophobicContact CD2-CD2 4.01Å; L585-I603 HydrophobicContact CD2-CD1 4.48Å; L585-I603 HydrophobicContact CD2-CG1 4.39Å
586	N	71.8	Confident	80.3	Confident	12 Å²	12	38.4 Å²	38.4	6%	0.064	21%	0.21	C	C	.	.	S	Bend	trans	-125.6	162.2	175.6	-71.2	-69.6	0	0	0	110.9	A582 G583 L584 Y589 L590	A582-N586 PolarHBondContact O-ND2 2.99Å; G583-N586 PolarHBondContact O-N 3.41Å; L584-N586 VanDerWaalsContact C-N 3.29Å; N586-Y589 WeakPolarHBondContact O-CB 3.49Å; N586-Y589 PolarHBondContact O-N 2.77Å; N586-L590 CarbonylContact C-O 3.57Å; N586-L590 WeakPolarHBondContact CA-O 3.41Å; N586-L590 PolarHBondContact O-N 2.95Å
587	P	69.6	Low	80.5	Confident	44 Å²	44	34.1 Å²	34.1	29%	0.286	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	147.5	174.1	-24.6	35.2	0	0	0	111.6	G162 Y589 L590 K591	G162-P587 WeakPolarHBondContact CA-O 3.33Å; P587-Y589 VanDerWaalsContact C-N 3.34Å; P587-L590 WeakPolarHBondContact CD-O 3.31Å; P587-K591 HydrophobicContact CG-CB 3.94Å; P587-K591 HydrophobicContact CG-CG 3.94Å
588	P	69.9	Low	80.8	Confident	30 Å²	30	34.3 Å²	34.3	20%	0.195	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	cis	-79.5	-8.5	3.4	32.7	-36.2	0	0	0	114.5	Y594 T699	P588-Y594 PolarHBondContact O-OH 2.91Å; P588-Y594 VanDerWaalsContact O-OH 3.06Å; P588-T699 HydrophobicContact CG-CG2 4.49Å
589	Y	77.4	Confident	81.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-39.2	-173	-47.4	-66.8	0	0	0	112.9	P567 L584 N586 P587 T602 F606 M696 V705	P567-Y589 HydrophobicContact CB-CD2 4.23Å; P567-Y589 HydrophobicContact CB-CE2 3.73Å; P567-Y589 HydrophobicContact CG-CD2 4.08Å; P567-Y589 HydrophobicContact CG-CE2 3.33Å; L584-Y589 HydrophobicContact CD2-CD1 4.18Å; L584-Y589 HydrophobicContact CD2-CD2 4.23Å; L584-Y589 HydrophobicContact CD2-CG 4.01Å; L584-Y589 VanDerWaalsContact O-CB 3.27Å; L584-Y589 WeakPolarHBondContact O-CB 3.48Å; N586-Y589 WeakPolarHBondContact O-CB 3.49Å; N586-Y589 PolarHBondContact O-N 2.77Å; P587-Y589 VanDerWaalsContact C-N 3.34Å; Y589-T602 WeakPolarHBondContact O-CB 3.19Å; Y589-T602 PolarHBondContact O-OG1 2.9Å; Y589-F606 AromaticContact CD1-CE2 3.61Å; Y589-F606 HydrophobicContact CD1-CE2 3.61Å; Y589-F606 HydrophobicContact CD1-CZ 4.2Å; Y589-F606 AromaticContact CE1-CE2 3.95Å; Y589-F606 HydrophobicContact CE1-CE2 3.95Å; Y589-F606 HydrophobicContact CE1-CZ 4.07Å; Y589-M696 HydrophobicContact CD1-CG 4.2Å; Y589-M696 HydrophobicContact CD1-SD 4.14Å; Y589-M696 HydrophobicContact CE1-CG 4.47Å; Y589-V705 WeakPolarHBondContact OH-CG2 3.49Å
590	L	79.9	Confident	81.6	Confident	5 Å²	5	35.2 Å²	35.2	3%	0.026	20%	0.196	C	C	.	.	S	Bend	trans	-149.9	120.5	178.9	-168.7	52.3	0	0	0	110.5	I462 V467 L585 N586 P587 Y594 K599 I603	I462-L590 HydrophobicContact CD1-CB 4.44Å; I462-L590 HydrophobicContact CD1-CG 4.06Å; I462-L590 WeakPolarHBondContact CD1-O 3.33Å; I462-L590 HydrophobicContact CG2-CD2 3.26Å; I462-L590 HydrophobicContact CG2-CG 3.79Å; V467-L590 HydrophobicContact CG2-CD2 4.03Å; L585-L590 HydrophobicContact CB-CD2 4.44Å; L585-L590 HydrophobicContact CD2-CD2 4.01Å; N586-L590 CarbonylContact C-O 3.57Å; N586-L590 WeakPolarHBondContact CA-O 3.41Å; N586-L590 PolarHBondContact O-N 2.95Å; P587-L590 WeakPolarHBondContact CD-O 3.31Å; L590-Y594 HydrophobicContact CD1-CD2 4.28Å; L590-K599 HydrophobicContact CD1-CB 4.47Å; L590-K599 HydrophobicContact CD1-CD 4.28Å; L590-K599 HydrophobicContact CD1-CG 3.71Å; L590-I603 HydrophobicContact CD1-CG2 4.24Å; L590-I603 HydrophobicContact CD2-CG2 4.27Å
591	K	77.7	Confident	82.1	Confident	116 Å²	116	35.2 Å²	35.2	50%	0.504	20%	0.196	S	C	.	.			trans	-119.8	147.9	179.7	-170.6	-179.7	174.7	176.5	0	110.7	P587 G593 Y594	P587-K591 HydrophobicContact CG-CB 3.94Å; P587-K591 HydrophobicContact CG-CG 3.94Å; K591-G593 PolarHBondContact O-N 3.38Å; K591-Y594 HydrophobicContact CB-CD1 3.72Å; K591-Y594 HydrophobicContact CB-CD2 4.33Å; K591-Y594 HydrophobicContact CB-CE1 3.46Å; K591-Y594 VanDerWaalsContact CB-CE1 3.46Å; K591-Y594 HydrophobicContact CB-CE2 4.1Å; K591-Y594 HydrophobicContact CB-CG 4.14Å; K591-Y594 HydrophobicContact CD-CE1 4.11Å; K591-Y594 HydrophobicContact CG-CE1 4.36Å; K591-Y594 WeakPolarHBondContact O-CB 3.3Å; K591-Y594 PolarHBondContact O-N 2.84Å; K591-Y594 VanDerWaalsContact O-N 3.16Å
592	E	72.6	Confident	82.7	Confident	162 Å²	162	35.3 Å²	35.3	76%	0.757	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	127.5	167.5	-169.6	-180	179.9	0	0	110.1
593	G	83.3	Confident	83.5	Confident	76 Å²	76	34.7 Å²	34.7	78%	0.784	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.2	-6.5	-178.5	0	0	0	0	0	115.5	K591 S595	K591-G593 PolarHBondContact O-N 3.38Å; G593-S595 PolarHBondContact O-N 2.82Å
594	Y	87.9	Confident	84.5	Confident	53 Å²	53	34.7 Å²	34.7	21%	0.208	19%	0.192	C	C	.	.			trans	-57.2	130.1	170.7	-81.7	4.8	0	0	0	111.4	P588 L590 K591 E598 K599 T602	P588-Y594 PolarHBondContact O-OH 2.91Å; P588-Y594 VanDerWaalsContact O-OH 3.06Å; L590-Y594 HydrophobicContact CD1-CD2 4.28Å; K591-Y594 HydrophobicContact CB-CD1 3.72Å; K591-Y594 HydrophobicContact CB-CD2 4.33Å; K591-Y594 HydrophobicContact CB-CE1 3.46Å; K591-Y594 VanDerWaalsContact CB-CE1 3.46Å; K591-Y594 HydrophobicContact CB-CE2 4.1Å; K591-Y594 HydrophobicContact CB-CG 4.14Å; K591-Y594 HydrophobicContact CD-CE1 4.11Å; K591-Y594 HydrophobicContact CG-CE1 4.36Å; K591-Y594 WeakPolarHBondContact O-CB 3.3Å; K591-Y594 PolarHBondContact O-N 2.84Å; K591-Y594 VanDerWaalsContact O-N 3.16Å; Y594-E598 WeakPolarHBondContact CA-OE2 3.17Å; Y594-E598 HydrophobicContact CD1-CB 4.28Å; Y594-E598 HydrophobicContact CD2-CB 3.96Å; Y594-E598 HydrophobicContact CG-CB 3.8Å; Y594-K599 WeakPolarHBondContact O-CE 3.48Å; Y594-T602 HydrophobicContact CE2-CG2 4.49Å
595	S	92.2	Very high	85.2	Confident	40 Å²	40	34.7 Å²	34.7	28%	0.28	19%	0.192	S	C	.	.			trans	-62.9	163	167.4	62	0	0	0	0	111.5	G593 S597 E598 K599	G593-S595 PolarHBondContact O-N 2.82Å; S595-S597 WeakPolarHBondContact CB-OG 3.36Å; S595-S597 PolarHBondContact O-N 2.83Å; S595-S597 PolarHBondContact OG-OG 2.97Å; S595-E598 WeakPolarHBondContact CB-OE2 3.27Å; S595-E598 PolarHBondContact N-OE2 3.13Å; S595-E598 PolarHBondContact O-N 2.74Å; S595-E598 VanDerWaalsContact O-N 3.12Å; S595-E598 WeakPolarHBondContact OG-CG 3.2Å; S595-E598 PolarHBondContact OG-N 2.96Å; S595-E598 PolarHBondContact OG-OE2 3.1Å; S595-K599 WeakPolarHBondContact O-CG 3.43Å; S595-K599 PolarHBondContact O-N 2.89Å
596	M	92.3	Very high	85.6	Confident	78 Å²	78	34.3 Å²	34.3	38%	0.384	19%	0.19	S	C	.	.	H	α-helix	trans	-60.2	-33.8	174.6	-67	-53.9	-63.6	0	0	112	M470 E598 K599 Y600 Y677	M470-M596 HydrophobicContact CG-CE 4.23Å; M470-M596 HydrophobicContact SD-CE 4.45Å; M596-E598 PolarHBondContact O-N 3.28Å; M596-K599 PolarHBondContact O-N 2.91Å; M596-K599 HydrophobicContact SD-CD 3.9Å; M596-Y600 HydrophobicContact CB-CD2 4.5Å; M596-Y600 HydrophobicContact CE-CD2 3.95Å; M596-Y600 HydrophobicContact CE-CE2 3.46Å; M596-Y600 VanDerWaalsContact CE-CE2 3.46Å; M596-Y600 WeakPolarHBondContact O-CB 3.37Å; M596-Y600 WeakPolarHBondContact O-CD2 3.49Å; M596-Y600 PolarHBondContact O-N 2.77Å; M596-Y677 HydrophobicContact CB-CD2 4.27Å; M596-Y677 HydrophobicContact CB-CE2 4.21Å
597	S	93	Very high	86.6	Confident	7 Å²	7	33.8 Å²	33.8	5%	0.049	19%	0.186	C	C	.	.	H	α-helix	trans	-57.3	-47.2	171.8	28	0	0	0	0	112.8	S595 G601 G685 F689	S595-S597 WeakPolarHBondContact CB-OG 3.36Å; S595-S597 PolarHBondContact O-N 2.83Å; S595-S597 PolarHBondContact OG-OG 2.97Å; S597-G601 PolarHBondContact O-N 3.22Å; S597-G685 WeakPolarHBondContact CB-O 3.38Å; S597-F689 WeakPolarHBondContact O-CA 3.47Å
598	E	92.3	Very high	87.8	Confident	45 Å²	45	31.7 Å²	31.7	21%	0.21	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-47.3	179	-71.1	162.7	111.8	0	0	110.5	Y594 S595 M596 Y600 G601 T602 L688 S692	Y594-E598 WeakPolarHBondContact CA-OE2 3.17Å; Y594-E598 HydrophobicContact CD1-CB 4.28Å; Y594-E598 HydrophobicContact CD2-CB 3.96Å; Y594-E598 HydrophobicContact CG-CB 3.8Å; S595-E598 WeakPolarHBondContact CB-OE2 3.27Å; S595-E598 PolarHBondContact N-OE2 3.13Å; S595-E598 PolarHBondContact O-N 2.74Å; S595-E598 VanDerWaalsContact O-N 3.12Å; S595-E598 WeakPolarHBondContact OG-CG 3.2Å; S595-E598 PolarHBondContact OG-N 2.96Å; S595-E598 PolarHBondContact OG-OE2 3.1Å; M596-E598 PolarHBondContact O-N 3.28Å; E598-Y600 PolarHBondContact O-N 3.11Å; E598-G601 CarbonylContact O-C 3.52Å; E598-G601 WeakPolarHBondContact O-CA 3.41Å; E598-G601 PolarHBondContact O-N 3.19Å; E598-G601 VanDerWaalsContact O-N 3.1Å; E598-T602 PolarHBondContact O-N 3.08Å; E598-T602 PolarHBondContact O-OG1 3.03Å; E598-L688 HydrophobicContact CG-CD1 4.04Å; E598-L688 HydrophobicContact CG-CD2 3.88Å; E598-L688 HydrophobicContact CG-CG 3.78Å; E598-S692 VanDerWaalsContact CG-OG 3.29Å; E598-S692 WeakPolarHBondContact CG-OG 3.43Å
599	K	93.3	Very high	88.8	Confident	45 Å²	45	30.2 Å²	30.2	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-58	-46.5	179.3	-66.6	-179.1	-178.5	176.8	0	112.4	C466 M470 L590 Y594 S595 M596 T602 I603 G604	C466-K599 PolarHBondContact SG-NZ 2.84Å; C466-K599 VanDerWaalsContact SG-NZ 3.36Å; M470-K599 HydrophobicContact CE-CB 3.93Å; M470-K599 HydrophobicContact SD-CB 4.1Å; M470-K599 HydrophobicContact SD-CD 4.41Å; L590-K599 HydrophobicContact CD1-CB 4.47Å; L590-K599 HydrophobicContact CD1-CD 4.28Å; L590-K599 HydrophobicContact CD1-CG 3.71Å; Y594-K599 WeakPolarHBondContact O-CE 3.48Å; S595-K599 WeakPolarHBondContact O-CG 3.43Å; S595-K599 PolarHBondContact O-N 2.89Å; M596-K599 PolarHBondContact O-N 2.91Å; M596-K599 HydrophobicContact SD-CD 3.9Å; K599-T602 PolarHBondContact O-N 3.46Å; K599-I603 VanDerWaalsContact O-CG2 3.29Å; K599-I603 WeakPolarHBondContact O-CG2 3.3Å; K599-I603 PolarHBondContact O-N 3.06Å; K599-G604 PolarHBondContact O-N 3.46Å
600	Y	94.7	Very high	89.4	Confident	5 Å²	5	30.3 Å²	30.3	2%	0.02	16%	0.164	C	C	.	.	I	π-helix	trans	-68.9	-35.7	176.4	-85	-70.4	0	0	0	111.6	M470 E473 L474 M596 E598 T602 W605 S673 T676 Y677 F689	M470-Y600 HydrophobicContact CB-CE1 4.32Å; M470-Y600 HydrophobicContact CE-CD1 3.77Å; M470-Y600 HydrophobicContact CE-CD2 4.2Å; M470-Y600 HydrophobicContact CE-CE1 3.84Å; M470-Y600 HydrophobicContact CE-CE2 4.3Å; M470-Y600 HydrophobicContact CE-CG 3.92Å; M470-Y600 HydrophobicContact CG-CE1 4.31Å; M470-Y600 HydrophobicContact CG-CE2 4.3Å; E473-Y600 WeakPolarHBondContact CB-OH 3.2Å; E473-Y600 PolarHBondContact OE2-OH 3.25Å; L474-Y600 HydrophobicContact CD2-CE1 4.34Å; L474-Y600 HydrophobicContact CG-CE1 4.35Å; M596-Y600 HydrophobicContact CB-CD2 4.5Å; M596-Y600 HydrophobicContact CE-CD2 3.95Å; M596-Y600 HydrophobicContact CE-CE2 3.46Å; M596-Y600 VanDerWaalsContact CE-CE2 3.46Å; M596-Y600 WeakPolarHBondContact O-CB 3.37Å; M596-Y600 WeakPolarHBondContact O-CD2 3.49Å; M596-Y600 PolarHBondContact O-N 2.77Å; E598-Y600 PolarHBondContact O-N 3.11Å; Y600-T602 PolarHBondContact O-N 3.33Å; Y600-W605 PolarHBondContact O-N 3.02Å; Y600-S673 PolarHBondContact O-OG 2.7Å; Y600-T676 HydrophobicContact CE1-CG2 3.59Å; Y600-T676 WeakPolarHBondContact OH-CG2 3.41Å; Y600-Y677 HydrophobicContact CD2-CD2 4.07Å; Y600-Y677 HydrophobicContact CD2-CG 4.34Å; Y600-F689 WeakPolarHBondContact O-CE2 3.23Å
601	G	92.3	Very high	90	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-65.2	-24.8	174.3	0	0	0	0	0	114	S597 E598 F689 F693	S597-G601 PolarHBondContact O-N 3.22Å; E598-G601 CarbonylContact O-C 3.52Å; E598-G601 WeakPolarHBondContact O-CA 3.41Å; E598-G601 PolarHBondContact O-N 3.19Å; E598-G601 VanDerWaalsContact O-N 3.1Å; G601-F689 VanDerWaalsContact N-CD2 3.3Å; G601-F693 WeakPolarHBondContact O-CA 3.27Å; G601-F693 VanDerWaalsContact O-CB 3.27Å; G601-F693 WeakPolarHBondContact O-CB 3.43Å
602	T	90.7	Very high	90.6	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.018	14%	0.139	C	C	.	.	I	π-helix	trans	-108.8	-87.3	-179	60.5	0	0	0	0	113	Y589 Y594 E598 K599 Y600 G604 W605 F606 M696	Y589-T602 WeakPolarHBondContact O-CB 3.19Å; Y589-T602 PolarHBondContact O-OG1 2.9Å; Y594-T602 HydrophobicContact CE2-CG2 4.49Å; E598-T602 PolarHBondContact O-N 3.08Å; E598-T602 PolarHBondContact O-OG1 3.03Å; K599-T602 PolarHBondContact O-N 3.46Å; Y600-T602 PolarHBondContact O-N 3.33Å; T602-G604 VanDerWaalsContact C-N 3.31Å; T602-G604 PolarHBondContact O-N 2.8Å; T602-W605 WeakPolarHBondContact O-CB 3.43Å; T602-W605 PolarHBondContact O-N 2.97Å; T602-W605 VanDerWaalsContact O-N 3.15Å; T602-F606 PolarHBondContact O-N 3.37Å; T602-M696 VanDerWaalsContact CA-SD 3.57Å; T602-M696 HydrophobicContact CG2-CB 4.12Å; T602-M696 HydrophobicContact CG2-SD 3.93Å
603	I	90.1	Very high	91.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.11	C	C	.	.	I	π-helix	trans	-66.7	-33.1	-175.1	-170.5	59.4	0	0	0	112.1	M470 L584 L585 L590 K599 W605 F606 I607	M470-I603 HydrophobicContact CE-CG2 3.97Å; M470-I603 HydrophobicContact SD-CG2 4.41Å; L584-I603 HydrophobicContact CB-CD1 3.77Å; L584-I603 HydrophobicContact CD1-CD1 4.41Å; L584-I603 HydrophobicContact CG-CD1 4.48Å; L585-I603 HydrophobicContact CD2-CD1 4.48Å; L585-I603 HydrophobicContact CD2-CG1 4.39Å; L590-I603 HydrophobicContact CD1-CG2 4.24Å; L590-I603 HydrophobicContact CD2-CG2 4.27Å; K599-I603 VanDerWaalsContact O-CG2 3.29Å; K599-I603 WeakPolarHBondContact O-CG2 3.3Å; K599-I603 PolarHBondContact O-N 3.06Å; I603-W605 VanDerWaalsContact C-N 3.26Å; I603-W605 PolarHBondContact O-N 2.92Å; I603-F606 HydrophobicContact CD1-CB 4.41Å; I603-F606 PolarHBondContact O-N 3.42Å; I603-I607 HydrophobicContact CG1-CD1 4.05Å; I603-I607 HydrophobicContact CG1-CG1 4.49Å; I603-I607 WeakPolarHBondContact O-CG1 3.44Å; I603-I607 PolarHBondContact O-N 3.39Å; I603-I607 VanDerWaalsContact O-N 3.08Å
604	G	93.8	Very high	91.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-61.2	-35.8	174.5	0	0	0	0	0	112.4	K599 T602 G608 S673	K599-G604 PolarHBondContact O-N 3.46Å; T602-G604 VanDerWaalsContact C-N 3.31Å; T602-G604 PolarHBondContact O-N 2.8Å; G604-G608 PolarHBondContact O-N 3.05Å; G604-S673 VanDerWaalsContact C-OG 3.26Å
605	W	93.2	Very high	91.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.1	-46.7	173.5	172.3	74.1	0	0	0	112.4	Y600 T602 I603 I607 G608 R609 D666 L670 S673 F693 M696 M697 I706	Y600-W605 PolarHBondContact O-N 3.02Å; T602-W605 WeakPolarHBondContact O-CB 3.43Å; T602-W605 PolarHBondContact O-N 2.97Å; T602-W605 VanDerWaalsContact O-N 3.15Å; I603-W605 VanDerWaalsContact C-N 3.26Å; I603-W605 PolarHBondContact O-N 2.92Å; W605-I607 VanDerWaalsContact C-N 3.34Å; W605-I607 PolarHBondContact O-N 3.25Å; W605-G608 PolarHBondContact O-N 3.26Å; W605-R609 WeakPolarHBondContact O-CB 3.4Å; W605-R609 PolarHBondContact O-N 3.05Å; W605-D666 HydrophobicContact CZ2-CB 4.13Å; W605-D666 WeakPolarHBondContact CZ2-OD1 3.25Å; W605-D666 PolarHBondContact NE1-O 3.14Å; W605-D666 VanDerWaalsContact NE1-O 3.12Å; W605-L670 HydrophobicContact CG-CD1 4.43Å; W605-S673 PolarHBondContact N-OG 2.94Å; W605-F693 HydrophobicContact CB-CD2 4.33Å; W605-F693 AromaticContact CD1-CE2 3.8Å; W605-F693 HydrophobicContact CD2-CD2 4.09Å; W605-F693 AromaticContact CD2-CE2 3.57Å; W605-F693 HydrophobicContact CD2-CE2 3.57Å; W605-F693 AromaticContact CE2-CE2 3.51Å; W605-F693 HydrophobicContact CE3-CE2 4.17Å; W605-F693 AromaticContact CG-CD2 3.94Å; W605-F693 HydrophobicContact CG-CD2 3.94Å; W605-F693 AromaticContact CG-CE2 3.74Å; W605-F693 HydrophobicContact CG-CE2 3.74Å; W605-F693 HydrophobicContact CZ2-CE2 4.03Å; W605-F693 AromaticContact NE1-CE2 3.66Å; W605-M696 HydrophobicContact CD2-CE 4.22Å; W605-M696 HydrophobicContact CE3-CE 3.42Å; W605-M696 VanDerWaalsContact CE3-CE 3.42Å; W605-M696 HydrophobicContact CZ3-CE 3.84Å; W605-M697 HydrophobicContact CH2-CE 3.97Å; W605-M697 HydrophobicContact CH2-SD 3.56Å; W605-M697 VanDerWaalsContact CH2-SD 3.56Å; W605-M697 HydrophobicContact CZ2-CE 4.34Å; W605-M697 HydrophobicContact CZ2-SD 4.24Å; W605-M697 HydrophobicContact CZ3-SD 3.75Å; W605-I706 HydrophobicContact CH2-CD1 3.95Å; W605-I706 HydrophobicContact CH2-CG1 4.49Å; W605-I706 HydrophobicContact CZ3-CD1 4.43Å
606	F	90.5	Very high	90.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58	-46.8	177.6	-83.8	-72.3	0	0	0	112	I569 L584 Y589 T602 I603 Q610 M696 V705 I706 L710	I569-F606 WeakPolarHBondContact CD1-O 3.28Å; I569-F606 HydrophobicContact CG2-CD1 4.25Å; L584-F606 HydrophobicContact CD2-CD2 4.05Å; L584-F606 HydrophobicContact CD2-CE2 4.04Å; L584-F606 HydrophobicContact CD2-CG 4.28Å; L584-F606 HydrophobicContact CD2-CZ 4.28Å; Y589-F606 AromaticContact CD1-CE2 3.61Å; Y589-F606 HydrophobicContact CD1-CE2 3.61Å; Y589-F606 HydrophobicContact CD1-CZ 4.2Å; Y589-F606 AromaticContact CE1-CE2 3.95Å; Y589-F606 HydrophobicContact CE1-CE2 3.95Å; Y589-F606 HydrophobicContact CE1-CZ 4.07Å; T602-F606 PolarHBondContact O-N 3.37Å; I603-F606 HydrophobicContact CD1-CB 4.41Å; I603-F606 PolarHBondContact O-N 3.42Å; F606-Q610 PolarHBondContact O-N 3.43Å; F606-M696 HydrophobicContact CD2-CE 4.45Å; F606-M696 HydrophobicContact CD2-SD 4.09Å; F606-M696 HydrophobicContact CE2-CE 3.98Å; F606-M696 HydrophobicContact CE2-SD 3.5Å; F606-M696 VanDerWaalsContact CE2-SD 3.5Å; F606-M696 HydrophobicContact CZ-SD 4.43Å; F606-V705 HydrophobicContact CE1-CG1 4.36Å; F606-I706 HydrophobicContact CE1-CG1 4.34Å; F606-L710 HydrophobicContact CE1-CD1 4.28Å
607	I	92.7	Very high	89.4	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.9	-46.6	179.4	-64.7	171.6	0	0	0	110.4	V467 F471 L474 L505 I603 W605 Q610 L611	V467-I607 HydrophobicContact CG1-CD1 3.68Å; F471-I607 HydrophobicContact CB-CG2 4.32Å; F471-I607 HydrophobicContact CD2-CG2 3.45Å; F471-I607 VanDerWaalsContact CD2-CG2 3.45Å; F471-I607 HydrophobicContact CE2-CG2 4.22Å; F471-I607 HydrophobicContact CG-CG2 4.33Å; L474-I607 HydrophobicContact CD1-CB 3.96Å; L474-I607 HydrophobicContact CD1-CG2 3.59Å; L505-I607 HydrophobicContact CD2-CD1 4.19Å; I603-I607 HydrophobicContact CG1-CD1 4.05Å; I603-I607 HydrophobicContact CG1-CG1 4.49Å; I603-I607 WeakPolarHBondContact O-CG1 3.44Å; I603-I607 PolarHBondContact O-N 3.39Å; I603-I607 VanDerWaalsContact O-N 3.08Å; W605-I607 VanDerWaalsContact C-N 3.34Å; W605-I607 PolarHBondContact O-N 3.25Å; I607-Q610 PolarHBondContact O-N 2.76Å; I607-L611 WeakPolarHBondContact O-CB 3.31Å; I607-L611 PolarHBondContact O-N 3.12Å
608	G	94	Very high	87.5	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.4	-47.4	177.8	0	0	0	0	0	112	G604 W605 Q610 L611 M612	G604-G608 PolarHBondContact O-N 3.05Å; W605-G608 PolarHBondContact O-N 3.26Å; G608-Q610 PolarHBondContact O-N 3.44Å; G608-L611 PolarHBondContact O-N 3.44Å; G608-M612 WeakPolarHBondContact O-CB 3.24Å; G608-M612 WeakPolarHBondContact O-CG 3.4Å; G608-M612 PolarHBondContact O-N 2.96Å
609	R	91.3	Very high	85.5	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-55.2	-48.8	174.8	176.4	-162.4	-177.7	-81.3	-6	111.8	W605 M612 Y613 S662 A665 D666 L710 S712	W605-R609 WeakPolarHBondContact O-CB 3.4Å; W605-R609 PolarHBondContact O-N 3.05Å; R609-M612 PolarHBondContact O-N 3.49Å; R609-Y613 WeakPolarHBondContact O-CB 3.21Å; R609-Y613 PolarHBondContact O-N 3.01Å; R609-S662 PolarHBondContact NH2-OG 3.16Å; R609-A665 HydrophobicContact CG-CB 3.97Å; R609-D666 WeakPolarHBondContact CD-OD1 3.33Å; R609-D666 IonicContact CZ-OD1 2.7Å; R609-D666 IonicContact NE-OD1 3.3Å; R609-D666 PolarHBondContact NE-OD1 2.86Å; R609-D666 IonicContact NH2-OD1 3.96Å; R609-L710 VanDerWaalsContact CZ-CD1 3.49Å; R609-L710 VanDerWaalsContact NH1-CD1 3.34Å; R609-S712 VanDerWaalsContact CZ-OG 3.31Å; R609-S712 PolarHBondContact NH1-OG 3.33Å; R609-S712 PolarHBondContact NH2-OG 3.35Å
610	Q	90.5	Very high	83.5	Confident	2 Å²	2	16.5 Å²	16.5	1%	0.009	8%	0.078	C	C	.	.	H	α-helix	trans	-66.3	-42.6	-179.4	-167	64.6	37.2	0	0	111.6	I569 I578 F606 I607 G608 M612 Y613 E614	I569-Q610 HydrophobicContact CD1-CB 3.55Å; I569-Q610 HydrophobicContact CD1-CG 4.11Å; I569-Q610 HydrophobicContact CG1-CB 3.96Å; I569-Q610 HydrophobicContact CG1-CG 3.95Å; I578-Q610 HydrophobicContact CD1-CG 4.36Å; I578-Q610 HydrophobicContact CG1-CG 4.26Å; I578-Q610 HydrophobicContact CG2-CB 4.37Å; I578-Q610 HydrophobicContact CG2-CG 4Å; F606-Q610 PolarHBondContact O-N 3.43Å; I607-Q610 PolarHBondContact O-N 2.76Å; G608-Q610 PolarHBondContact O-N 3.44Å; Q610-M612 VanDerWaalsContact C-N 3.34Å; Q610-M612 PolarHBondContact O-N 3.43Å; Q610-Y613 WeakPolarHBondContact O-CB 3.3Å; Q610-Y613 PolarHBondContact O-N 3.33Å; Q610-E614 HydrophobicContact CG-CG 4.5Å; Q610-E614 PolarHBondContact NE2-OE1 2.94Å; Q610-E614 WeakPolarHBondContact O-CG 3.34Å; Q610-E614 PolarHBondContact O-N 3.23Å
611	L	91.8	Very high	80.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-45.4	176.5	-178.4	61.1	0	0	0	111.5	F471 K475 L478 F503 I578 I607 G608 Y613 E614 V615 L672	F471-L611 HydrophobicContact CE2-CD1 4.28Å; F471-L611 HydrophobicContact CE2-CD2 4.29Å; K475-L611 HydrophobicContact CG-CD2 3.97Å; L478-L611 HydrophobicContact CD2-CD2 3.95Å; L478-L611 HydrophobicContact CD2-CG 4.04Å; F503-L611 HydrophobicContact CB-CD1 4.22Å; F503-L611 HydrophobicContact CD2-CD1 3.98Å; F503-L611 HydrophobicContact CG-CD1 4.18Å; I578-L611 HydrophobicContact CD1-CB 3.98Å; I578-L611 HydrophobicContact CD1-CD1 4.03Å; I607-L611 WeakPolarHBondContact O-CB 3.31Å; I607-L611 PolarHBondContact O-N 3.12Å; G608-L611 PolarHBondContact O-N 3.44Å; L611-Y613 VanDerWaalsContact C-N 3.33Å; L611-Y613 PolarHBondContact O-N 3.24Å; L611-E614 PolarHBondContact O-N 3.33Å; L611-V615 HydrophobicContact CD1-CG2 4.09Å; L611-V615 WeakPolarHBondContact O-CB 3.44Å; L611-V615 VanDerWaalsContact O-CG2 3.24Å; L611-V615 WeakPolarHBondContact O-CG2 3.11Å; L611-V615 PolarHBondContact O-N 3.09Å; L611-L672 HydrophobicContact CD2-CD2 4.2Å
612	M	89.7	Confident	78.2	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-58.7	-43.6	174.3	-71.8	-65.9	-35.1	0	0	112.2	G608 R609 Q610 N616 N668 L672 L751 W752	G608-M612 WeakPolarHBondContact O-CB 3.24Å; G608-M612 WeakPolarHBondContact O-CG 3.4Å; G608-M612 PolarHBondContact O-N 2.96Å; R609-M612 PolarHBondContact O-N 3.49Å; Q610-M612 VanDerWaalsContact C-N 3.34Å; Q610-M612 PolarHBondContact O-N 3.43Å; M612-N616 WeakPolarHBondContact CE-ND2 3.39Å; M612-N616 WeakPolarHBondContact O-CB 3.37Å; M612-N616 VanDerWaalsContact O-CG 3.27Å; M612-N616 PolarHBondContact O-N 2.94Å; M612-N616 VanDerWaalsContact O-N 3.17Å; M612-N616 PolarHBondContact O-ND2 3.36Å; M612-N668 HydrophobicContact CE-CB 3.33Å; M612-N668 HydrophobicContact CG-CB 3.97Å; M612-N668 HydrophobicContact SD-CB 3.81Å; M612-L672 HydrophobicContact CG-CD2 4.37Å; M612-L672 HydrophobicContact SD-CD2 4.24Å; M612-L751 HydrophobicContact CE-CD1 4.48Å; M612-W752 HydrophobicContact CE-CD2 4.07Å; M612-W752 HydrophobicContact CE-CE3 3.4Å; M612-W752 VanDerWaalsContact CE-CE3 3.4Å; M612-W752 HydrophobicContact CE-CH2 3.28Å; M612-W752 HydrophobicContact CE-CZ2 3.98Å; M612-W752 HydrophobicContact CE-CZ3 2.96Å; M612-W752 HydrophobicContact SD-CE3 3.69Å; M612-W752 HydrophobicContact SD-CH2 3.86Å; M612-W752 HydrophobicContact SD-CZ3 3.09Å; M612-W752 WeakPolarHBondContact SD-CZ3 3.29Å
613	Y	86.4	Confident	75.6	Confident	39 Å²	39	40.2 Å²	40.2	15%	0.153	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-49.7	179.6	-172.1	-101.7	0	0	0	111.5	R609 Q610 L611 N616 N617 A665 S712	R609-Y613 WeakPolarHBondContact O-CB 3.21Å; R609-Y613 PolarHBondContact O-N 3.01Å; Q610-Y613 WeakPolarHBondContact O-CB 3.3Å; Q610-Y613 PolarHBondContact O-N 3.33Å; L611-Y613 VanDerWaalsContact C-N 3.33Å; L611-Y613 PolarHBondContact O-N 3.24Å; Y613-N616 PolarHBondContact O-N 3.04Å; Y613-N617 WeakPolarHBondContact CD1-ND2 3.31Å; Y613-N617 WeakPolarHBondContact CE1-ND2 3.2Å; Y613-N617 WeakPolarHBondContact CE2-ND2 3.25Å; Y613-N617 WeakPolarHBondContact O-CB 3.18Å; Y613-N617 PolarHBondContact O-N 2.88Å; Y613-N617 PolarHBondContact O-ND2 2.85Å; Y613-A665 HydrophobicContact CD2-CB 3.96Å; Y613-A665 HydrophobicContact CG-CB 4.43Å; Y613-S712 VanDerWaalsContact CE2-CB 3.47Å; Y613-S712 VanDerWaalsContact CZ-CA 3.42Å; Y613-S712 WeakPolarHBondContact OH-CA 3.48Å; Y613-S712 PolarHBondContact OH-O 2.89Å
614	E	85.6	Confident	73	Confident	14 Å²	14	50.2 Å²	50.2	7%	0.065	25%	0.245	C	C	.	.	H	α-helix	trans	-68.2	-39	-178.5	-61.4	-55.6	138.9	0	0	113.2	F503 G571 A573 Q610 L611 N616	F503-E614 HydrophobicContact CE1-CB 3.72Å; F503-E614 HydrophobicContact CE1-CG 4.08Å; F503-E614 HydrophobicContact CE2-CB 4.19Å; F503-E614 HydrophobicContact CZ-CB 3.42Å; F503-E614 VanDerWaalsContact CZ-CB 3.42Å; F503-E614 HydrophobicContact CZ-CG 4.28Å; G571-E614 VanDerWaalsContact C-CD 3.41Å; G571-E614 VanDerWaalsContact CA-CD 3.43Å; G571-E614 WeakPolarHBondContact CA-OE1 3.4Å; A573-E614 PolarHBondContact N-OE2 2.97Å; Q610-E614 HydrophobicContact CG-CG 4.5Å; Q610-E614 PolarHBondContact NE2-OE1 2.94Å; Q610-E614 WeakPolarHBondContact O-CG 3.34Å; Q610-E614 PolarHBondContact O-N 3.23Å; L611-E614 PolarHBondContact O-N 3.33Å; E614-N616 VanDerWaalsContact C-N 3.3Å; E614-N616 PolarHBondContact O-N 3.19Å
615	V	85.8	Confident	70.2	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-66.9	-34.3	179.8	171.9	0	0	0	0	111.3	L478 Y496 L499 A500 F503 L611 W752	L478-V615 HydrophobicContact CD2-CG2 4.34Å; Y496-V615 HydrophobicContact CD1-CG1 3.99Å; L499-V615 HydrophobicContact CD2-CG1 4.4Å; A500-V615 HydrophobicContact CB-CG2 4.26Å; F503-V615 HydrophobicContact CD2-CG2 4.27Å; F503-V615 HydrophobicContact CE2-CG2 3.87Å; L611-V615 HydrophobicContact CD1-CG2 4.09Å; L611-V615 WeakPolarHBondContact O-CB 3.44Å; L611-V615 VanDerWaalsContact O-CG2 3.24Å; L611-V615 WeakPolarHBondContact O-CG2 3.11Å; L611-V615 PolarHBondContact O-N 3.09Å; V615-W752 HydrophobicContact CB-CH2 4.3Å; V615-W752 HydrophobicContact CG1-CH2 3.74Å; V615-W752 HydrophobicContact CG1-CZ2 4.08Å
616	N	78.9	Confident	67.4	Low	12 Å²	12	59.6 Å²	59.6	6%	0.064	31%	0.308	C	S	.	.	H	α-helix	trans	-84.6	-29	-178.5	-71.3	-30.4	0	0	0	114.1	M612 Y613 E614 N618 L751 W752	M612-N616 WeakPolarHBondContact CE-ND2 3.39Å; M612-N616 WeakPolarHBondContact O-CB 3.37Å; M612-N616 VanDerWaalsContact O-CG 3.27Å; M612-N616 PolarHBondContact O-N 2.94Å; M612-N616 VanDerWaalsContact O-N 3.17Å; M612-N616 PolarHBondContact O-ND2 3.36Å; Y613-N616 PolarHBondContact O-N 3.04Å; E614-N616 VanDerWaalsContact C-N 3.3Å; E614-N616 PolarHBondContact O-N 3.19Å; N616-N618 VanDerWaalsContact C-N 3.29Å; N616-N618 PolarHBondContact O-N 3.04Å; N616-L751 WeakPolarHBondContact ND2-CD1 3.32Å; N616-W752 WeakPolarHBondContact OD1-CZ2 3.29Å
617	N	67.3	Low	65.4	Low	37 Å²	37	62.9 Å²	62.9	20%	0.198	33%	0.331	C	S	.	.	H	α-helix	trans	-75.6	-13	-175.8	-77.6	-15.9	0	0	0	115	Y613 K619 E620	Y613-N617 WeakPolarHBondContact CD1-ND2 3.31Å; Y613-N617 WeakPolarHBondContact CE1-ND2 3.2Å; Y613-N617 WeakPolarHBondContact CE2-ND2 3.25Å; Y613-N617 WeakPolarHBondContact O-CB 3.18Å; Y613-N617 PolarHBondContact O-N 2.88Å; Y613-N617 PolarHBondContact O-ND2 2.85Å; N617-K619 PolarHBondContact O-N 2.85Å; N617-E620 PolarHBondContact O-N 3.03Å
618	N	53.4	Low	63.2	Low	79 Å²	79	71 Å²	71	42%	0.422	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	14.4	-171.2	-103.8	-10.3	0	0	0	116.2	L499 A573 N616	L499-N618 WeakPolarHBondContact CD1-ND2 3.01Å; L499-N618 HydrophobicContact CD2-CB 4.03Å; L499-N618 WeakPolarHBondContact CD2-ND2 3.13Å; A573-N618 WeakPolarHBondContact CB-OD1 3.06Å; N616-N618 VanDerWaalsContact C-N 3.29Å; N616-N618 PolarHBondContact O-N 3.04Å
619	K	50.7	Low	61.1	Low	118 Å²	118	75.2 Å²	75.2	51%	0.513	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-0.5	179.4	-68.7	-174.5	177.1	171.7	0	115.2	Y496 N617 T637	Y496-K619 PolarHBondContact OH-NZ 2.69Å; Y496-K619 VanDerWaalsContact OH-NZ 3.07Å; N617-K619 PolarHBondContact O-N 2.85Å; K619-T637 HydrophobicContact CB-CG2 4.24Å; K619-T637 HydrophobicContact CD-CG2 4.07Å
620	E	50	Low	59.5	Low	35 Å²	35	76.5 Å²	76.5	16%	0.164	41%	0.408	C	S	.	.			trans	-115.4	15.9	-161.5	-67.2	-165.8	106.2	0	0	117.3	N617 D622 K657 R661	N617-E620 PolarHBondContact O-N 3.03Å; E620-D622 PolarHBondContact O-N 3.38Å; E620-K657 VanDerWaalsContact OE1-CE 3.24Å; E620-K657 WeakPolarHBondContact OE1-CE 3.38Å; E620-K657 IonicContact OE1-NZ 3.43Å; E620-K657 PolarHBondContact OE1-NZ 2.91Å; E620-R661 IonicContact OE1-CZ 2.83Å; E620-R661 IonicContact OE1-NE 3.99Å; E620-R661 IonicContact OE1-NH2 3.41Å; E620-R661 PolarHBondContact OE1-NH2 3.34Å; E620-R661 IonicContact OE2-CZ 2.69Å; E620-R661 IonicContact OE2-NE 3.74Å; E620-R661 PolarHBondContact OE2-NE 3.08Å; E620-R661 IonicContact OE2-NH1 3.54Å; E620-R661 IonicContact OE2-NH2 3.65Å; E620-R661 PolarHBondContact OE2-NH2 3.46Å
621	E	40.3	Very low	58.2	Low	194 Å²	194	78.8 Å²	78.8	91%	0.907	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.2	-177.1	-78.7	-168.1	160.5	0	0	116.9
622	D	36	Very low	56.3	Low	153 Å²	153	87.3 Å²	87.3	82%	0.818	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	9.1	-166.6	-90.6	-21.1	0	0	0	119	E620	E620-D622 PolarHBondContact O-N 3.38Å
623	N	35	Very low	55	Low	158 Å²	158	89.4 Å²	89.4	85%	0.845	48%	0.481	S	S	*	.			trans	-138.9	99.7	179	-82.4	-43.9	0	0	0	115.7	G625	N623-G625 PolarHBondContact O-N 2.98Å
624	H	36.7	Very low	53.7	Low	211 Å²	211	97.5 Å²	97.5	98%	0.977	52%	0.52	S	S	*	.			trans	-70	38.1	164.4	-80.2	-64.2	0	0	0	113.7
625	G	33.8	Very low	52.6	Low	56 Å²	56	105.3 Å²	105.3	58%	0.577	56%	0.556	S	S	*	*			trans	-80.6	145.4	178.7	0	0	0	0	0	113.1	N623 S627	N623-G625 PolarHBondContact O-N 2.98Å; G625-S627 PolarHBondContact O-N 3.17Å
626	N	36.1	Very low	51.3	Low	140 Å²	140	106.7 Å²	106.7	75%	0.749	57%	0.567	S	S	*	*			trans	-59.3	130.5	-177.4	-154.9	6.8	0	0	0	112.2	Q628 S629	N626-Q628 PolarHBondContact O-N 2.89Å; N626-S629 PolarHBondContact O-N 3.01Å; N626-S629 PolarHBondContact O-OG 3.22Å
627	S	48.5	Very low	50.8	Low	69 Å²	69	107.2 Å²	107.2	48%	0.483	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.8	-13.6	-160.4	66.3	0	0	0	0	117.9	G625	G625-S627 PolarHBondContact O-N 3.17Å
628	Q	45.6	Very low	51	Low	171 Å²	171	107.3 Å²	107.3	80%	0.799	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-20.4	-175	-116.8	169.9	-26.6	0	0	114.3	N626	N626-Q628 PolarHBondContact O-N 2.89Å
629	S	48.9	Very low	51.9	Low	88 Å²	88	103.9 Å²	103.9	62%	0.615	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-20	-178.3	58.7	0	0	0	0	113.9	N626	N626-S629 PolarHBondContact O-N 3.01Å; N626-S629 PolarHBondContact O-OG 3.22Å
630	S	57.8	Low	53.1	Low	27 Å²	27	99.7 Å²	99.7	19%	0.189	54%	0.536	C	S	.	.	G	3₁₀ helix	trans	-73.2	-36.8	-178.6	166.2	0	0	0	0	112.1	M632 S633 A636 E640	S630-M632 PolarHBondContact O-N 2.82Å; S630-S633 PolarHBondContact O-N 3.18Å; S630-S633 PolarHBondContact O-OG 2.75Å; S630-A636 WeakPolarHBondContact O-CB 3.5Å; S630-E640 PolarHBondContact OG-OE1 2.93Å
631	C	63.4	Low	54.5	Low	50 Å²	50	100.7 Å²	100.7	34%	0.338	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-64.3	-12.2	-178	-68	0	0	0	0	116.4	C644 Q647	C631-C644 WeakPolarHBondContact CA-SG 3.34Å; C631-C644 HydrophobicContact CB-CB 3.65Å; C631-C644 WeakPolarHBondContact CB-SG 3.47Å; C631-C644 WeakPolarHBondContact SG-CB 3.44Å; C631-C644 CovalentContact SG-SG 2.02Å; C631-C644 PolarHBondContact SG-SG 3.46Å; C631-Q647 PolarHBondContact SG-OE1 3.2Å
632	M	53.7	Low	56.6	Low	179 Å²	179	91.8 Å²	91.8	88%	0.882	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-118.4	4.1	-176	-65.2	-110.4	-145.3	0	0	112.5	S630	S630-M632 PolarHBondContact O-N 2.82Å
633	S	60.8	Low	58.9	Low	47 Å²	47	84.6 Å²	84.6	33%	0.329	47%	0.471	S	S	.	.			trans	-83.7	140.9	179.3	73.1	0	0	0	0	110.8	S630 E635 A636	S630-S633 PolarHBondContact O-N 3.18Å; S630-S633 PolarHBondContact O-OG 2.75Å; S633-E635 PolarHBondContact O-N 2.81Å; S633-E635 VanDerWaalsContact O-N 3.13Å; S633-A636 WeakPolarHBondContact O-CB 3.19Å; S633-A636 PolarHBondContact O-N 3.06Å; S633-A636 PolarHBondContact OG-N 3.27Å
634	E	60.7	Low	61.3	Low	208 Å²	208	77.5 Å²	77.5	97%	0.972	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-9.8	167.4	-67.6	-176.9	171.9	0	0	112.3
635	E	60.8	Low	63.8	Low	179 Å²	179	69.2 Å²	69.2	84%	0.836	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-2.4	-179.8	-61.9	177.5	171	0	0	113	S633 T637	S633-E635 PolarHBondContact O-N 2.81Å; S633-E635 VanDerWaalsContact O-N 3.13Å; E635-T637 PolarHBondContact O-N 3.19Å
636	A	58.8	Low	66.4	Low	29 Å²	29	66.6 Å²	66.6	24%	0.24	37%	0.371	C	S	.	.			trans	-61.3	130.7	-178.9	0	0	0	0	0	110.6	S630 S633 E640	S630-A636 WeakPolarHBondContact O-CB 3.5Å; S633-A636 WeakPolarHBondContact O-CB 3.19Å; S633-A636 PolarHBondContact O-N 3.06Å; S633-A636 PolarHBondContact OG-N 3.27Å; A636-E640 WeakPolarHBondContact CA-OE2 3.49Å; A636-E640 HydrophobicContact CB-CB 4.16Å
637	T	69.1	Low	68.8	Low	24 Å²	24	62 Å²	62	15%	0.147	35%	0.346	C	S	.	.			trans	-65.9	157	173	57.7	0	0	0	0	110.8	K619 E635 S639 E640 A641	K619-T637 HydrophobicContact CB-CG2 4.24Å; K619-T637 HydrophobicContact CD-CG2 4.07Å; E635-T637 PolarHBondContact O-N 3.19Å; T637-S639 PolarHBondContact O-N 2.94Å; T637-S639 PolarHBondContact OG1-OG 3.02Å; T637-E640 PolarHBondContact N-OE2 3.25Å; T637-E640 CarbonylContact O-C 3.53Å; T637-E640 WeakPolarHBondContact O-CA 3.37Å; T637-E640 VanDerWaalsContact O-CB 3.3Å; T637-E640 WeakPolarHBondContact O-CB 3.19Å; T637-E640 PolarHBondContact O-N 2.92Å; T637-E640 WeakPolarHBondContact OG1-CG 3.39Å; T637-E640 PolarHBondContact OG1-N 3.43Å; T637-E640 PolarHBondContact OG1-OE2 2.81Å; T637-A641 PolarHBondContact O-N 3.02Å
638	D	71	Confident	70.6	Confident	38 Å²	38	66.2 Å²	66.2	20%	0.203	36%	0.358	C	S	.	.	H	α-helix	trans	-58.2	-37.3	179.1	-47	-35.8	0	0	0	112	W487 E640 A641 Q642 L751	W487-D638 HydrophobicContact CH2-CB 3.83Å; W487-D638 WeakPolarHBondContact CH2-OD2 3.35Å; W487-D638 HydrophobicContact CZ3-CB 4.27Å; W487-D638 WeakPolarHBondContact CZ3-OD1 3.16Å; W487-D638 WeakPolarHBondContact CZ3-OD2 3.31Å; D638-E640 VanDerWaalsContact C-N 3.31Å; D638-E640 PolarHBondContact O-N 3.45Å; D638-A641 WeakPolarHBondContact O-CB 3.17Å; D638-A641 PolarHBondContact O-N 3.38Å; D638-Q642 PolarHBondContact O-N 2.82Å; D638-L751 VanDerWaalsContact C-CD2 3.47Å; D638-L751 HydrophobicContact CB-CD2 3.91Å; D638-L751 VanDerWaalsContact O-CD2 3.25Å; D638-L751 WeakPolarHBondContact O-CD2 3.35Å
639	S	71.6	Confident	72.6	Confident	8 Å²	8	59.4 Å²	59.4	6%	0.056	33%	0.326	C	S	.	.	H	α-helix	trans	-58.3	-42	170.7	40.5	0	0	0	0	112.2	T637 Q642 I643	T637-S639 PolarHBondContact O-N 2.94Å; T637-S639 PolarHBondContact OG1-OG 3.02Å; S639-Q642 PolarHBondContact O-N 2.86Å; S639-I643 WeakPolarHBondContact O-CB 3.46Å; S639-I643 WeakPolarHBondContact O-CD1 3.47Å; S639-I643 WeakPolarHBondContact O-CG1 3.34Å; S639-I643 PolarHBondContact O-N 2.85Å
640	E	76	Confident	74.2	Confident	29 Å²	29	62.1 Å²	62.1	14%	0.136	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-42.1	174.9	-73.7	170.8	132.4	0	0	111.3	S630 A636 T637 D638 Q642 I643 C644 K657	S630-E640 PolarHBondContact OG-OE1 2.93Å; A636-E640 WeakPolarHBondContact CA-OE2 3.49Å; A636-E640 HydrophobicContact CB-CB 4.16Å; T637-E640 PolarHBondContact N-OE2 3.25Å; T637-E640 CarbonylContact O-C 3.53Å; T637-E640 WeakPolarHBondContact O-CA 3.37Å; T637-E640 VanDerWaalsContact O-CB 3.3Å; T637-E640 WeakPolarHBondContact O-CB 3.19Å; T637-E640 PolarHBondContact O-N 2.92Å; T637-E640 WeakPolarHBondContact OG1-CG 3.39Å; T637-E640 PolarHBondContact OG1-N 3.43Å; T637-E640 PolarHBondContact OG1-OE2 2.81Å; D638-E640 VanDerWaalsContact C-N 3.31Å; D638-E640 PolarHBondContact O-N 3.45Å; E640-Q642 VanDerWaalsContact C-N 3.34Å; E640-Q642 PolarHBondContact O-N 3.29Å; E640-I643 WeakPolarHBondContact O-CB 3.39Å; E640-I643 PolarHBondContact O-N 3.46Å; E640-I643 VanDerWaalsContact O-N 3.15Å; E640-C644 WeakPolarHBondContact O-CB 3.48Å; E640-C644 PolarHBondContact O-N 3.4Å; E640-C644 PolarHBondContact O-SG 2.74Å; E640-K657 IonicContact OE1-NZ 3.02Å; E640-K657 PolarHBondContact OE1-NZ 3.35Å
641	A	79.5	Confident	75.3	Confident	57 Å²	57	64.1 Å²	64.1	47%	0.471	35%	0.347	S	S	.	.	H	α-helix	trans	-59	-43.3	175.6	0	0	0	0	0	112.3	T637 D638 C644 C645	T637-A641 PolarHBondContact O-N 3.02Å; D638-A641 WeakPolarHBondContact O-CB 3.17Å; D638-A641 PolarHBondContact O-N 3.38Å; A641-C644 PolarHBondContact O-N 3.42Å; A641-C645 PolarHBondContact O-N 2.81Å
642	Q	84.2	Confident	76.4	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.028	33%	0.331	C	S	.	.	H	α-helix	trans	-65.6	-42	174.7	-165.3	-165.7	22.4	0	0	111.7	D638 S639 E640 C644 C645 L646 S664 N668 C749 L751	D638-Q642 PolarHBondContact O-N 2.82Å; S639-Q642 PolarHBondContact O-N 2.86Å; E640-Q642 VanDerWaalsContact C-N 3.34Å; E640-Q642 PolarHBondContact O-N 3.29Å; Q642-C644 VanDerWaalsContact C-N 3.26Å; Q642-C644 PolarHBondContact O-N 3.18Å; Q642-C645 WeakPolarHBondContact O-CB 3.26Å; Q642-C645 PolarHBondContact O-N 3.27Å; Q642-L646 WeakPolarHBondContact O-CG 3.42Å; Q642-L646 PolarHBondContact O-N 3.31Å; Q642-S664 VanDerWaalsContact OE1-CB 3.25Å; Q642-S664 PolarHBondContact OE1-OG 3.06Å; Q642-N668 PolarHBondContact NE2-ND2 3.38Å; Q642-N668 VanDerWaalsContact NE2-ND2 3.15Å; Q642-N668 PolarHBondContact OE1-ND2 3.48Å; Q642-C749 HydrophobicContact CG-CB 4.14Å; Q642-C749 PolarHBondContact NE2-O 3.19Å; Q642-L751 HydrophobicContact CB-CD2 3.99Å; Q642-L751 HydrophobicContact CB-CG 3.92Å; Q642-L751 HydrophobicContact CG-CG 4.26Å; Q642-L751 VanDerWaalsContact OE1-CD1 3.22Å
643	I	84.9	Confident	77.7	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-58	-42.8	175.5	-70.5	162.3	0	0	0	110.2	S639 E640 L646 Q647 K657 L660 R661	S639-I643 WeakPolarHBondContact O-CB 3.46Å; S639-I643 WeakPolarHBondContact O-CD1 3.47Å; S639-I643 WeakPolarHBondContact O-CG1 3.34Å; S639-I643 PolarHBondContact O-N 2.85Å; E640-I643 WeakPolarHBondContact O-CB 3.39Å; E640-I643 PolarHBondContact O-N 3.46Å; E640-I643 VanDerWaalsContact O-N 3.15Å; I643-L646 WeakPolarHBondContact O-CB 3Å; I643-L646 PolarHBondContact O-N 3.34Å; I643-Q647 HydrophobicContact CG2-CG 4.41Å; I643-Q647 WeakPolarHBondContact O-CG 3.34Å; I643-Q647 PolarHBondContact O-N 2.91Å; I643-K657 HydrophobicContact CD1-CG 4.16Å; I643-K657 HydrophobicContact CG2-CG 4.33Å; I643-L660 HydrophobicContact CG1-CB 4.46Å; I643-L660 HydrophobicContact CG2-CB 4.07Å; I643-L660 HydrophobicContact CG2-CD1 3.95Å; I643-R661 HydrophobicContact CD1-CG 3.52Å; I643-R661 HydrophobicContact CG1-CG 4.4Å
644	C	85.6	Confident	78.7	Confident	10 Å²	10	65.2 Å²	65.2	7%	0.068	34%	0.343	C	S	.	.	H	α-helix	trans	-65.8	-43.3	178.4	-61.3	0	0	0	0	111.9	C631 E640 A641 Q642 L646 Q647 E648	C631-C644 WeakPolarHBondContact CA-SG 3.34Å; C631-C644 HydrophobicContact CB-CB 3.65Å; C631-C644 WeakPolarHBondContact CB-SG 3.47Å; C631-C644 WeakPolarHBondContact SG-CB 3.44Å; C631-C644 CovalentContact SG-SG 2.02Å; C631-C644 PolarHBondContact SG-SG 3.46Å; E640-C644 WeakPolarHBondContact O-CB 3.48Å; E640-C644 PolarHBondContact O-N 3.4Å; E640-C644 PolarHBondContact O-SG 2.74Å; A641-C644 PolarHBondContact O-N 3.42Å; Q642-C644 VanDerWaalsContact C-N 3.26Å; Q642-C644 PolarHBondContact O-N 3.18Å; C644-L646 PolarHBondContact O-N 2.93Å; C644-Q647 PolarHBondContact O-N 3.29Å; C644-Q647 VanDerWaalsContact O-N 3.08Å; C644-E648 WeakPolarHBondContact O-CG 3.44Å; C644-E648 PolarHBondContact O-N 3.24Å
645	C	89.2	Confident	79.6	Confident	37 Å²	37	58 Å²	58	25%	0.25	31%	0.307	C	S	.	.	H	α-helix	trans	-55.6	-42.1	171.1	178.2	0	0	0	0	111.7	A641 Q642 E648 C749	A641-C645 PolarHBondContact O-N 2.81Å; Q642-C645 WeakPolarHBondContact O-CB 3.26Å; Q642-C645 PolarHBondContact O-N 3.27Å; C645-E648 PolarHBondContact O-N 2.97Å; C645-C749 HydrophobicContact CB-CB 3.7Å; C645-C749 WeakPolarHBondContact CB-SG 3.26Å; C645-C749 PolarHBondContact O-SG 3.38Å; C645-C749 WeakPolarHBondContact SG-CA 3.43Å; C645-C749 WeakPolarHBondContact SG-CB 3.38Å; C645-C749 CovalentContact SG-SG 2.04Å; C645-C749 PolarHBondContact SG-SG 2.84Å
646	L	88.6	Confident	80.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-44.6	175.8	-68.4	169.1	0	0	0	110.9	Q642 I643 C644 E648 Q649 F652 L660 L663 I667 C749	Q642-L646 WeakPolarHBondContact O-CG 3.42Å; Q642-L646 PolarHBondContact O-N 3.31Å; I643-L646 WeakPolarHBondContact O-CB 3Å; I643-L646 PolarHBondContact O-N 3.34Å; C644-L646 PolarHBondContact O-N 2.93Å; L646-E648 PolarHBondContact O-N 3.01Å; L646-Q649 WeakPolarHBondContact O-CB 3.39Å; L646-Q649 PolarHBondContact O-N 3.27Å; L646-F652 HydrophobicContact CB-CD2 4.31Å; L646-F652 HydrophobicContact CD2-CD2 4.06Å; L646-F652 HydrophobicContact CD2-CE2 3.98Å; L646-F652 WeakPolarHBondContact O-CB 3.46Å; L646-L660 HydrophobicContact CB-CD2 4.27Å; L646-L663 HydrophobicContact CD1-CD2 4.26Å; L646-L663 HydrophobicContact CD1-CG 4.41Å; L646-L663 HydrophobicContact CD2-CD2 4.1Å; L646-I667 HydrophobicContact CD2-CD1 4.03Å; L646-C749 HydrophobicContact CD2-CB 3.78Å; L646-C749 HydrophobicContact CG-CB 3.95Å; L646-C749 PolarHBondContact N-SG 3.33Å
647	Q	87	Confident	81.4	Confident	44 Å²	44	54.4 Å²	54.4	21%	0.206	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-26.7	178.9	-72.7	-179.8	-49.2	0	0	114	C631 I643 C644 Q649 L660	C631-Q647 PolarHBondContact SG-OE1 3.2Å; I643-Q647 HydrophobicContact CG2-CG 4.41Å; I643-Q647 WeakPolarHBondContact O-CG 3.34Å; I643-Q647 PolarHBondContact O-N 2.91Å; C644-Q647 PolarHBondContact O-N 3.29Å; C644-Q647 VanDerWaalsContact O-N 3.08Å; Q647-Q649 PolarHBondContact O-N 3.24Å; Q647-L660 HydrophobicContact CG-CD1 3.22Å
648	E	86.6	Confident	81.7	Confident	158 Å²	158	55.7 Å²	55.7	74%	0.738	30%	0.295	S	S	*	.	H	α-helix	trans	-71.1	-19.8	174.4	-73	179.8	177.5	0	0	112.8	C644 C645 L646	C644-E648 WeakPolarHBondContact O-CG 3.44Å; C644-E648 PolarHBondContact O-N 3.24Å; C645-E648 PolarHBondContact O-N 2.97Å; L646-E648 PolarHBondContact O-N 3.01Å
649	Q	86.6	Confident	82	Confident	28 Å²	28	54 Å²	54	13%	0.131	29%	0.286	C	S	.	.	S	Bend	trans	-78.4	131	174.7	-54.5	-166.8	1.3	0	0	110.7	L646 Q647 S651 F652 K653 H727 N747 C749	L646-Q649 WeakPolarHBondContact O-CB 3.39Å; L646-Q649 PolarHBondContact O-N 3.27Å; Q647-Q649 PolarHBondContact O-N 3.24Å; Q649-S651 PolarHBondContact O-N 3Å; Q649-F652 HydrophobicContact CB-CD2 3.97Å; Q649-F652 HydrophobicContact CG-CD2 4.48Å; Q649-F652 PolarHBondContact O-N 2.96Å; Q649-K653 PolarHBondContact O-N 3.26Å; Q649-H727 PolarHBondContact NE2-CE1 2.97Å; Q649-N747 PolarHBondContact NE2-O 3.45Å; Q649-N747 VanDerWaalsContact NE2-O 3.14Å; Q649-C749 PolarHBondContact NE2-SG 3.42Å
650	D	82.9	Confident	82.7	Confident	145 Å²	145	53.7 Å²	53.7	78%	0.775	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.8	179.9	-73.7	-32.5	0	0	0	113.2	F652	D650-F652 PolarHBondContact O-N 2.69Å
651	S	81.7	Confident	83	Confident	68 Å²	68	54.9 Å²	54.9	48%	0.476	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.1	177.7	-52.9	0	0	0	0	114.3	Q649 Y655	Q649-S651 PolarHBondContact O-N 3Å; S651-Y655 WeakPolarHBondContact O-CE2 3.2Å
652	F	85.2	Confident	83.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	0.2	-168.5	-57.5	-46.1	0	0	0	114.1	L646 Q649 D650 D654 Y655 L660 L663 F719 E723	L646-F652 HydrophobicContact CB-CD2 4.31Å; L646-F652 HydrophobicContact CD2-CD2 4.06Å; L646-F652 HydrophobicContact CD2-CE2 3.98Å; L646-F652 WeakPolarHBondContact O-CB 3.46Å; Q649-F652 HydrophobicContact CB-CD2 3.97Å; Q649-F652 HydrophobicContact CG-CD2 4.48Å; Q649-F652 PolarHBondContact O-N 2.96Å; D650-F652 PolarHBondContact O-N 2.69Å; F652-D654 VanDerWaalsContact C-N 3.26Å; F652-D654 PolarHBondContact O-N 3.43Å; F652-Y655 HydrophobicContact CD1-CD2 4.43Å; F652-Y655 HydrophobicContact CD1-CE2 4.4Å; F652-Y655 WeakPolarHBondContact O-CB 3.38Å; F652-Y655 PolarHBondContact O-N 3.12Å; F652-Y655 VanDerWaalsContact O-N 3.08Å; F652-L660 HydrophobicContact CB-CD2 3.95Å; F652-L660 HydrophobicContact CG-CD2 4.42Å; F652-L663 HydrophobicContact CD1-CD2 4.07Å; F652-L663 HydrophobicContact CD2-CD2 4.27Å; F652-L663 HydrophobicContact CE1-CD2 3.65Å; F652-L663 HydrophobicContact CE2-CD2 3.85Å; F652-L663 HydrophobicContact CG-CD2 4.38Å; F652-L663 HydrophobicContact CZ-CD2 3.53Å; F652-F719 HydrophobicContact CD1-CD1 4.43Å; F652-F719 HydrophobicContact CD1-CE1 4.08Å; F652-F719 AromaticContact CE1-CD1 3.96Å; F652-F719 HydrophobicContact CE1-CD1 3.96Å; F652-F719 HydrophobicContact CE1-CE1 4.06Å; F652-E723 HydrophobicContact CE1-CB 4.21Å; F652-E723 HydrophobicContact CE1-CG 3.91Å; F652-E723 HydrophobicContact CZ-CB 3.88Å; F652-E723 HydrophobicContact CZ-CG 3.81Å
653	K	81.6	Confident	83.3	Confident	141 Å²	141	52 Å²	52	61%	0.613	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-35	-174.5	-169	173.6	-175.2	170.7	0	114.5	Q649	Q649-K653 PolarHBondContact O-N 3.26Å
654	D	81.5	Confident	83.4	Confident	158 Å²	158	52.2 Å²	52.2	85%	0.845	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	2.3	-177.5	-63.8	-35	0	0	0	113.7	F652	F652-D654 VanDerWaalsContact C-N 3.26Å; F652-D654 PolarHBondContact O-N 3.43Å
655	Y	79.5	Confident	83.6	Confident	56 Å²	56	51.8 Å²	51.8	22%	0.22	26%	0.263	C	S	.	.			trans	-82.5	142.9	179.1	-76.3	-104.7	0	0	0	111.5	S651 F652 D659 K718 F719	S651-Y655 WeakPolarHBondContact O-CE2 3.2Å; F652-Y655 HydrophobicContact CD1-CD2 4.43Å; F652-Y655 HydrophobicContact CD1-CE2 4.4Å; F652-Y655 WeakPolarHBondContact O-CB 3.38Å; F652-Y655 PolarHBondContact O-N 3.12Å; F652-Y655 VanDerWaalsContact O-N 3.08Å; Y655-D659 HydrophobicContact CD1-CB 3.86Å; Y655-K718 HydrophobicContact CD1-CD 4.05Å; Y655-K718 HydrophobicContact CE1-CB 3.63Å; Y655-K718 HydrophobicContact CE1-CD 3.46Å; Y655-K718 VanDerWaalsContact CE1-CD 3.46Å; Y655-K718 HydrophobicContact CE1-CG 4.14Å; Y655-F719 AromaticContact CD1-CE1 3.67Å; Y655-F719 HydrophobicContact CD1-CE1 3.67Å; Y655-F719 AromaticContact CD1-CZ 3.7Å; Y655-F719 HydrophobicContact CD1-CZ 3.7Å; Y655-F719 HydrophobicContact CE1-CD1 4.24Å; Y655-F719 AromaticContact CE1-CE1 3.46Å; Y655-F719 HydrophobicContact CE1-CE1 3.46Å; Y655-F719 VanDerWaalsContact CE1-CE1 3.46Å; Y655-F719 AromaticContact CE1-CZ 3.81Å; Y655-F719 HydrophobicContact CE1-CZ 3.81Å; Y655-F719 HydrophobicContact CG-CE1 4.34Å
656	N	78.9	Confident	83.6	Confident	77 Å²	77	50 Å²	50	41%	0.412	25%	0.251	S	S	.	.			trans	-76	161.9	176.6	68.8	54.5	0	0	0	111.4	T658 D659 L660	N656-T658 PolarHBondContact O-N 3.04Å; N656-T658 WeakPolarHBondContact OD1-CA 3.36Å; N656-T658 WeakPolarHBondContact OD1-CB 3.48Å; N656-T658 PolarHBondContact OD1-N 3.04Å; N656-D659 PolarHBondContact ND2-OD2 3.42Å; N656-D659 PolarHBondContact O-N 3.49Å; N656-D659 PolarHBondContact OD1-N 2.78Å; N656-L660 WeakPolarHBondContact O-CG 3.4Å; N656-L660 PolarHBondContact O-N 3.44Å; N656-L660 VanDerWaalsContact O-N 3.12Å
657	K	77.7	Confident	83.7	Confident	57 Å²	57	50.2 Å²	50.2	25%	0.248	25%	0.252	C	S	.	.	H	α-helix	trans	-56.4	-35.9	-178.4	-166.6	173.5	-176.5	-172.6	0	112.8	E620 E640 I643 L660 R661	E620-K657 VanDerWaalsContact OE1-CE 3.24Å; E620-K657 WeakPolarHBondContact OE1-CE 3.38Å; E620-K657 IonicContact OE1-NZ 3.43Å; E620-K657 PolarHBondContact OE1-NZ 2.91Å; E640-K657 IonicContact OE1-NZ 3.02Å; E640-K657 PolarHBondContact OE1-NZ 3.35Å; I643-K657 HydrophobicContact CD1-CG 4.16Å; I643-K657 HydrophobicContact CG2-CG 4.33Å; K657-L660 PolarHBondContact O-N 3.34Å; K657-R661 WeakPolarHBondContact O-CG 3.12Å; K657-R661 PolarHBondContact O-N 2.92Å
658	T	75.4	Confident	83.9	Confident	50 Å²	50	48.3 Å²	48.3	31%	0.307	24%	0.243	S	C	.	.	H	α-helix	trans	-66.4	-44.9	179.1	-52	0	0	0	0	112.2	N656 L660 R661 S662	N656-T658 PolarHBondContact O-N 3.04Å; N656-T658 WeakPolarHBondContact OD1-CA 3.36Å; N656-T658 WeakPolarHBondContact OD1-CB 3.48Å; N656-T658 PolarHBondContact OD1-N 3.04Å; T658-L660 VanDerWaalsContact C-N 3.3Å; T658-L660 PolarHBondContact O-N 3.37Å; T658-R661 PolarHBondContact O-N 3.04Å; T658-S662 PolarHBondContact O-N 2.93Å; T658-S662 VanDerWaalsContact O-N 3.1Å
659	D	78.3	Confident	84.3	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-41.8	176.5	-64.2	-17.1	0	0	0	109.8	Y655 N656 S662 L663 S715 K718 F719	Y655-D659 HydrophobicContact CD1-CB 3.86Å; N656-D659 PolarHBondContact ND2-OD2 3.42Å; N656-D659 PolarHBondContact O-N 3.49Å; N656-D659 PolarHBondContact OD1-N 2.78Å; D659-S662 WeakPolarHBondContact O-CB 3.17Å; D659-S662 PolarHBondContact O-N 2.79Å; D659-L663 PolarHBondContact O-N 2.99Å; D659-S715 WeakPolarHBondContact OD1-CB 3.33Å; D659-S715 PolarHBondContact OD1-OG 2.99Å; D659-K718 IonicContact OD2-NZ 2.65Å; D659-K718 PolarHBondContact OD2-NZ 3.2Å; D659-F719 HydrophobicContact CB-CE2 4.39Å; D659-F719 HydrophobicContact CB-CZ 4.01Å; D659-F719 WeakPolarHBondContact O-CE2 3.47Å; D659-F719 WeakPolarHBondContact O-CZ 3.31Å
660	L	85	Confident	84.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70.1	-34.9	179.2	-63.3	177.5	0	0	0	113.8	I643 L646 Q647 F652 N656 K657 T658 S662 L663 S664	I643-L660 HydrophobicContact CG1-CB 4.46Å; I643-L660 HydrophobicContact CG2-CB 4.07Å; I643-L660 HydrophobicContact CG2-CD1 3.95Å; L646-L660 HydrophobicContact CB-CD2 4.27Å; Q647-L660 HydrophobicContact CG-CD1 3.22Å; F652-L660 HydrophobicContact CB-CD2 3.95Å; F652-L660 HydrophobicContact CG-CD2 4.42Å; N656-L660 WeakPolarHBondContact O-CG 3.4Å; N656-L660 PolarHBondContact O-N 3.44Å; N656-L660 VanDerWaalsContact O-N 3.12Å; K657-L660 PolarHBondContact O-N 3.34Å; T658-L660 VanDerWaalsContact C-N 3.3Å; T658-L660 PolarHBondContact O-N 3.37Å; L660-S662 VanDerWaalsContact C-N 3.29Å; L660-S662 PolarHBondContact O-N 2.97Å; L660-L663 PolarHBondContact O-N 3.21Å; L660-S664 WeakPolarHBondContact O-CB 3.37Å; L660-S664 PolarHBondContact O-N 3.4Å
661	R	82.8	Confident	85.1	Confident	55 Å²	55	34.4 Å²	34.4	21%	0.208	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-40.2	169.4	-77.8	175.8	-174.5	159.6	2.3	111.4	E620 I643 K657 T658 S664 A665	E620-R661 IonicContact OE1-CZ 2.83Å; E620-R661 IonicContact OE1-NE 3.99Å; E620-R661 IonicContact OE1-NH2 3.41Å; E620-R661 PolarHBondContact OE1-NH2 3.34Å; E620-R661 IonicContact OE2-CZ 2.69Å; E620-R661 IonicContact OE2-NE 3.74Å; E620-R661 PolarHBondContact OE2-NE 3.08Å; E620-R661 IonicContact OE2-NH1 3.54Å; E620-R661 IonicContact OE2-NH2 3.65Å; E620-R661 PolarHBondContact OE2-NH2 3.46Å; I643-R661 HydrophobicContact CD1-CG 3.52Å; I643-R661 HydrophobicContact CG1-CG 4.4Å; K657-R661 WeakPolarHBondContact O-CG 3.12Å; K657-R661 PolarHBondContact O-N 2.92Å; T658-R661 PolarHBondContact O-N 3.04Å; R661-S664 WeakPolarHBondContact O-CB 3.34Å; R661-S664 PolarHBondContact O-N 2.84Å; R661-A665 PolarHBondContact O-N 3.36Å
662	S	82.8	Confident	85.7	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-45.1	174.8	-178.5	0	0	0	0	111.4	R609 T658 D659 L660 A665 D666	R609-S662 PolarHBondContact NH2-OG 3.16Å; T658-S662 PolarHBondContact O-N 2.93Å; T658-S662 VanDerWaalsContact O-N 3.1Å; D659-S662 WeakPolarHBondContact O-CB 3.17Å; D659-S662 PolarHBondContact O-N 2.79Å; L660-S662 VanDerWaalsContact C-N 3.29Å; L660-S662 PolarHBondContact O-N 2.97Å; S662-A665 PolarHBondContact O-N 3.42Å; S662-D666 PolarHBondContact O-N 2.64Å
663	L	86.6	Confident	86.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.5	-40.3	176.1	179.2	59.5	0	0	0	112.2	L646 F652 D659 L660 A665 D666 I667 F719 I724	L646-L663 HydrophobicContact CD1-CD2 4.26Å; L646-L663 HydrophobicContact CD1-CG 4.41Å; L646-L663 HydrophobicContact CD2-CD2 4.1Å; F652-L663 HydrophobicContact CD1-CD2 4.07Å; F652-L663 HydrophobicContact CD2-CD2 4.27Å; F652-L663 HydrophobicContact CE1-CD2 3.65Å; F652-L663 HydrophobicContact CE2-CD2 3.85Å; F652-L663 HydrophobicContact CG-CD2 4.38Å; F652-L663 HydrophobicContact CZ-CD2 3.53Å; D659-L663 PolarHBondContact O-N 2.99Å; L660-L663 PolarHBondContact O-N 3.21Å; L663-A665 VanDerWaalsContact C-N 3.33Å; L663-A665 PolarHBondContact O-N 3.49Å; L663-D666 WeakPolarHBondContact O-CB 3.06Å; L663-D666 PolarHBondContact O-N 3.39Å; L663-D666 VanDerWaalsContact O-N 3.15Å; L663-I667 HydrophobicContact CD1-CD1 4.08Å; L663-I667 HydrophobicContact CD1-CG1 4.18Å; L663-I667 HydrophobicContact CD2-CD1 4.49Å; L663-I667 HydrophobicContact CG-CD1 3.86Å; L663-I667 HydrophobicContact CG-CG1 4.42Å; L663-I667 WeakPolarHBondContact O-CG1 3.36Å; L663-I667 PolarHBondContact O-N 3.02Å; L663-F719 HydrophobicContact CB-CD1 4.43Å; L663-F719 HydrophobicContact CB-CD2 3.95Å; L663-F719 HydrophobicContact CB-CE1 4.18Å; L663-F719 HydrophobicContact CB-CE2 3.69Å; L663-F719 HydrophobicContact CB-CG 4.32Å; L663-F719 HydrophobicContact CB-CZ 3.79Å; L663-F719 HydrophobicContact CD1-CB 4.13Å; L663-F719 HydrophobicContact CD1-CD1 4.17Å; L663-F719 HydrophobicContact CD1-CD2 4.2Å; L663-F719 HydrophobicContact CD1-CG 3.89Å; L663-F719 HydrophobicContact CD2-CD1 3.91Å; L663-F719 HydrophobicContact CD2-CE1 3.8Å; L663-F719 HydrophobicContact CD2-CG 4.43Å; L663-F719 HydrophobicContact CD2-CZ 4.24Å; L663-F719 HydrophobicContact CG-CD1 4.4Å; L663-F719 HydrophobicContact CG-CE1 4.43Å; L663-F719 HydrophobicContact CG-CG 4.43Å; L663-I724 HydrophobicContact CD1-CG1 4.12Å
664	S	88.3	Confident	86.9	Confident	5 Å²	5	25.5 Å²	25.5	4%	0.035	13%	0.127	C	C	.	.	H	α-helix	trans	-56.1	-48	173.1	164.6	0	0	0	0	110.9	Q642 L660 R661 D666 I667 N668	Q642-S664 VanDerWaalsContact OE1-CB 3.25Å; Q642-S664 PolarHBondContact OE1-OG 3.06Å; L660-S664 WeakPolarHBondContact O-CB 3.37Å; L660-S664 PolarHBondContact O-N 3.4Å; R661-S664 WeakPolarHBondContact O-CB 3.34Å; R661-S664 PolarHBondContact O-N 2.84Å; S664-D666 VanDerWaalsContact C-N 3.31Å; S664-D666 PolarHBondContact O-N 3.23Å; S664-I667 PolarHBondContact O-N 2.92Å; S664-N668 WeakPolarHBondContact O-CB 3.24Å; S664-N668 PolarHBondContact O-N 3.3Å; S664-N668 PolarHBondContact O-ND2 2.92Å; S664-N668 PolarHBondContact OG-ND2 3.38Å
665	A	88.7	Confident	87.5	Confident	2 Å²	2	23 Å²	23	2%	0.017	11%	0.109	C	C	.	.	H	α-helix	trans	-61.4	-38.6	175.8	0	0	0	0	0	112.5	R609 Y613 R661 S662 L663 G669	R609-A665 HydrophobicContact CG-CB 3.97Å; Y613-A665 HydrophobicContact CD2-CB 3.96Å; Y613-A665 HydrophobicContact CG-CB 4.43Å; R661-A665 PolarHBondContact O-N 3.36Å; S662-A665 PolarHBondContact O-N 3.42Å; L663-A665 VanDerWaalsContact C-N 3.33Å; L663-A665 PolarHBondContact O-N 3.49Å; A665-G669 WeakPolarHBondContact O-CA 3.25Å; A665-G669 PolarHBondContact O-N 3.25Å
666	D	89.2	Confident	88.2	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-49.4	177	-68.4	-21.2	0	0	0	112.3	W605 R609 S662 L663 S664 L670 Y717 I724	W605-D666 HydrophobicContact CZ2-CB 4.13Å; W605-D666 WeakPolarHBondContact CZ2-OD1 3.25Å; W605-D666 PolarHBondContact NE1-O 3.14Å; W605-D666 VanDerWaalsContact NE1-O 3.12Å; R609-D666 WeakPolarHBondContact CD-OD1 3.33Å; R609-D666 IonicContact CZ-OD1 2.7Å; R609-D666 IonicContact NE-OD1 3.3Å; R609-D666 PolarHBondContact NE-OD1 2.86Å; R609-D666 IonicContact NH2-OD1 3.96Å; S662-D666 PolarHBondContact O-N 2.64Å; L663-D666 WeakPolarHBondContact O-CB 3.06Å; L663-D666 PolarHBondContact O-N 3.39Å; L663-D666 VanDerWaalsContact O-N 3.15Å; S664-D666 VanDerWaalsContact C-N 3.31Å; S664-D666 PolarHBondContact O-N 3.23Å; D666-L670 WeakPolarHBondContact O-CB 3.45Å; D666-L670 PolarHBondContact O-N 3.04Å; D666-L670 VanDerWaalsContact O-N 3.1Å; D666-Y717 WeakPolarHBondContact OD2-CE2 3.33Å; D666-Y717 PolarHBondContact OD2-OH 3.48Å; D666-I724 HydrophobicContact CB-CD1 3.94Å; D666-I724 HydrophobicContact CB-CG1 4.1Å
667	I	91.8	Very high	88.9	Confident	3 Å²	3	18.2 Å²	18.2	2%	0.015	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-55.6	-179.3	-69	165.1	0	0	0	109.8	L646 L663 S664 G669 L670 M671 I724 H727 L750	L646-I667 HydrophobicContact CD2-CD1 4.03Å; L663-I667 HydrophobicContact CD1-CD1 4.08Å; L663-I667 HydrophobicContact CD1-CG1 4.18Å; L663-I667 HydrophobicContact CD2-CD1 4.49Å; L663-I667 HydrophobicContact CG-CD1 3.86Å; L663-I667 HydrophobicContact CG-CG1 4.42Å; L663-I667 WeakPolarHBondContact O-CG1 3.36Å; L663-I667 PolarHBondContact O-N 3.02Å; S664-I667 PolarHBondContact O-N 2.92Å; I667-G669 VanDerWaalsContact C-N 3.33Å; I667-G669 PolarHBondContact O-N 3.3Å; I667-L670 PolarHBondContact O-N 2.98Å; I667-M671 WeakPolarHBondContact O-CG 3.45Å; I667-M671 PolarHBondContact O-N 3.48Å; I667-M671 VanDerWaalsContact O-N 3.11Å; I667-I724 HydrophobicContact CG1-CG2 4.26Å; I667-H727 HydrophobicContact CD1-CB 4.26Å; I667-H727 HydrophobicContact CG1-CB 4.27Å; I667-H727 HydrophobicContact CG2-CB 3.71Å; I667-L750 HydrophobicContact CG2-CD2 3.6Å
668	N	91.7	Very high	89.3	Confident	5 Å²	5	16.3 Å²	16.3	3%	0.027	8%	0.081	C	C	.	.	H	α-helix	trans	-72.7	-30.5	-173.8	-61.9	-60.9	0	0	0	111.8	M612 Q642 S664 L670 M671 L672 L751	M612-N668 HydrophobicContact CE-CB 3.33Å; M612-N668 HydrophobicContact CG-CB 3.97Å; M612-N668 HydrophobicContact SD-CB 3.81Å; Q642-N668 PolarHBondContact NE2-ND2 3.38Å; Q642-N668 VanDerWaalsContact NE2-ND2 3.15Å; Q642-N668 PolarHBondContact OE1-ND2 3.48Å; S664-N668 WeakPolarHBondContact O-CB 3.24Å; S664-N668 PolarHBondContact O-N 3.3Å; S664-N668 PolarHBondContact O-ND2 2.92Å; S664-N668 PolarHBondContact OG-ND2 3.38Å; N668-L670 VanDerWaalsContact C-N 3.35Å; N668-M671 PolarHBondContact O-N 3.06Å; N668-L672 WeakPolarHBondContact O-CB 3.47Å; N668-L672 PolarHBondContact O-N 3.18Å; N668-L751 WeakPolarHBondContact ND2-CD1 3.31Å; N668-L751 WeakPolarHBondContact OD1-CB 3.43Å; N668-L751 PolarHBondContact OD1-N 2.85Å
669	G	93.4	Very high	89.3	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.6	-39	173.9	0	0	0	0	0	112.4	A665 I667 S673	A665-G669 WeakPolarHBondContact O-CA 3.25Å; A665-G669 PolarHBondContact O-N 3.25Å; I667-G669 VanDerWaalsContact C-N 3.33Å; I667-G669 PolarHBondContact O-N 3.3Å; G669-S673 WeakPolarHBondContact O-CB 3.16Å; G669-S673 PolarHBondContact O-N 2.84Å
670	L	93.9	Very high	88.9	Confident	3 Å²	3	25.3 Å²	25.3	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-44.7	174.2	-174.3	67.6	0	0	0	111.7	W605 D666 I667 N668 S673 F674 F689 F690 F693 I724 L725	W605-L670 HydrophobicContact CG-CD1 4.43Å; D666-L670 WeakPolarHBondContact O-CB 3.45Å; D666-L670 PolarHBondContact O-N 3.04Å; D666-L670 VanDerWaalsContact O-N 3.1Å; I667-L670 PolarHBondContact O-N 2.98Å; N668-L670 VanDerWaalsContact C-N 3.35Å; L670-S673 PolarHBondContact O-N 3.44Å; L670-F674 WeakPolarHBondContact O-CB 3.44Å; L670-F674 PolarHBondContact O-N 3.01Å; L670-F689 HydrophobicContact CD1-CE1 3.67Å; L670-F689 HydrophobicContact CD1-CZ 3.78Å; L670-F689 HydrophobicContact CG-CE1 4.37Å; L670-F690 HydrophobicContact CD2-CE1 4.28Å; L670-F693 HydrophobicContact CD1-CB 4.26Å; L670-F693 HydrophobicContact CD1-CD1 3.9Å; L670-F693 HydrophobicContact CD1-CD2 3.73Å; L670-F693 HydrophobicContact CD1-CE1 4.14Å; L670-F693 HydrophobicContact CD1-CE2 4.02Å; L670-F693 HydrophobicContact CD1-CG 3.66Å; L670-F693 HydrophobicContact CD1-CZ 4.2Å; L670-F693 HydrophobicContact CD2-CD1 4.05Å; L670-F693 HydrophobicContact CD2-CE1 3.74Å; L670-F693 HydrophobicContact CD2-CZ 4.13Å; L670-I724 HydrophobicContact CB-CG2 4.36Å; L670-I724 HydrophobicContact CD2-CG2 3.78Å; L670-L725 HydrophobicContact CD2-CD2 3.92Å
671	M	93.5	Very high	88.4	Confident	36 Å²	36	25.9 Å²	25.9	18%	0.177	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-44.2	177.3	-69.6	-171.8	82.6	0	0	112.4	I667 N668 F674 K675 L750	I667-M671 WeakPolarHBondContact O-CG 3.45Å; I667-M671 PolarHBondContact O-N 3.48Å; I667-M671 VanDerWaalsContact O-N 3.11Å; N668-M671 PolarHBondContact O-N 3.06Å; M671-F674 PolarHBondContact O-N 3.12Å; M671-K675 VanDerWaalsContact O-CB 3.27Å; M671-K675 WeakPolarHBondContact O-CB 3.46Å; M671-K675 PolarHBondContact O-N 3.42Å; M671-L750 HydrophobicContact CE-CD1 3.61Å; M671-L750 HydrophobicContact CE-CD2 4.13Å; M671-L750 HydrophobicContact CE-CG 4.37Å; M671-L750 HydrophobicContact SD-CB 4.36Å; M671-L750 HydrophobicContact SD-CD1 3.86Å; M671-L750 HydrophobicContact SD-CD2 3.19Å; M671-L750 WeakPolarHBondContact SD-CD2 3.05Å; M671-L750 HydrophobicContact SD-CG 3.96Å
672	L	94.4	Very high	88.6	Confident	9 Å²	9	28.2 Å²	28.2	5%	0.047	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-50.3	176.6	179.7	59.8	0	0	0	110.2	L474 T477 L478 L611 M612 N668 F674 K675 T676	L474-L672 HydrophobicContact CD2-CD2 4.35Å; L474-L672 HydrophobicContact CD2-CG 3.89Å; T477-L672 HydrophobicContact CG2-CD1 3.95Å; L478-L672 HydrophobicContact CB-CD1 3.91Å; L478-L672 HydrophobicContact CB-CD2 4.33Å; L611-L672 HydrophobicContact CD2-CD2 4.2Å; M612-L672 HydrophobicContact CG-CD2 4.37Å; M612-L672 HydrophobicContact SD-CD2 4.24Å; N668-L672 WeakPolarHBondContact O-CB 3.47Å; N668-L672 PolarHBondContact O-N 3.18Å; L672-F674 PolarHBondContact O-N 3.46Å; L672-K675 PolarHBondContact O-N 3.48Å; L672-T676 PolarHBondContact O-N 3.23Å; L672-T676 PolarHBondContact O-OG1 3.38Å
673	S	95.5	Very high	88.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-43.9	178.6	-169.4	0	0	0	0	112.9	Y600 G604 W605 G669 L670 T676 Y677	Y600-S673 PolarHBondContact O-OG 2.7Å; G604-S673 VanDerWaalsContact C-OG 3.26Å; W605-S673 PolarHBondContact N-OG 2.94Å; G669-S673 WeakPolarHBondContact O-CB 3.16Å; G669-S673 PolarHBondContact O-N 2.84Å; L670-S673 PolarHBondContact O-N 3.44Å; S673-T676 PolarHBondContact O-N 3.15Å; S673-Y677 PolarHBondContact O-N 2.76Å; S673-Y677 VanDerWaalsContact O-N 3.15Å
674	F	95.2	Very high	88.9	Confident	12 Å²	12	37.7 Å²	37.7	5%	0.053	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-46.8	176.6	-178.2	-98.5	0	0	0	111.3	L670 M671 L672 T676 Y677 A678 K686 F689 F690 E730 I734	L670-F674 WeakPolarHBondContact O-CB 3.44Å; L670-F674 PolarHBondContact O-N 3.01Å; M671-F674 PolarHBondContact O-N 3.12Å; L672-F674 PolarHBondContact O-N 3.46Å; F674-T676 VanDerWaalsContact C-N 3.31Å; F674-T676 PolarHBondContact O-N 2.66Å; F674-Y677 PolarHBondContact O-N 2.8Å; F674-Y677 VanDerWaalsContact O-N 3.17Å; F674-A678 HydrophobicContact CD1-CB 3.96Å; F674-A678 HydrophobicContact CE1-CB 3.55Å; F674-A678 HydrophobicContact CE2-CB 4.37Å; F674-A678 HydrophobicContact CZ-CB 3.8Å; F674-A678 WeakPolarHBondContact O-CB 3.46Å; F674-A678 PolarHBondContact O-N 2.94Å; F674-K686 HydrophobicContact CE2-CB 4.16Å; F674-K686 HydrophobicContact CE2-CG 3.96Å; F674-K686 HydrophobicContact CZ-CB 4.35Å; F674-K686 HydrophobicContact CZ-CD 4.19Å; F674-K686 HydrophobicContact CZ-CG 3.91Å; F674-F689 HydrophobicContact CB-CD1 4.44Å; F674-F689 HydrophobicContact CB-CE1 3.73Å; F674-F689 HydrophobicContact CB-CE2 4.2Å; F674-F689 HydrophobicContact CB-CZ 3.59Å; F674-F689 AromaticContact CD2-CD1 3.52Å; F674-F689 HydrophobicContact CD2-CD1 3.52Å; F674-F689 HydrophobicContact CD2-CD2 4.35Å; F674-F689 AromaticContact CD2-CE1 3.67Å; F674-F689 HydrophobicContact CD2-CE1 3.67Å; F674-F689 HydrophobicContact CD2-CE2 4.45Å; F674-F689 AromaticContact CD2-CG 3.92Å; F674-F689 HydrophobicContact CD2-CG 3.92Å; F674-F689 HydrophobicContact CD2-CZ 4.15Å; F674-F689 HydrophobicContact CE2-CD1 4.29Å; F674-F689 HydrophobicContact CG-CD1 4.44Å; F674-F689 HydrophobicContact CG-CE1 4.16Å; F674-F689 HydrophobicContact CG-CZ 4.39Å; F674-F690 HydrophobicContact CD2-CD2 4.45Å; F674-F690 AromaticContact CD2-CE2 3.6Å; F674-F690 HydrophobicContact CD2-CE2 3.6Å; F674-F690 AromaticContact CD2-CZ 3.67Å; F674-F690 HydrophobicContact CD2-CZ 3.67Å; F674-F690 HydrophobicContact CE2-CD2 4.21Å; F674-F690 AromaticContact CE2-CE2 3.39Å; F674-F690 HydrophobicContact CE2-CE2 3.39Å; F674-F690 AromaticContact CE2-CZ 3.91Å; F674-F690 HydrophobicContact CE2-CZ 3.91Å; F674-F690 HydrophobicContact CG-CE2 4.34Å; F674-F690 HydrophobicContact CG-CZ 4.01Å; F674-F690 HydrophobicContact CZ-CE2 4.02Å; F674-F690 HydrophobicContact CZ-CZ 4.48Å; F674-E730 HydrophobicContact CD1-CB 3.91Å; F674-E730 HydrophobicContact CD1-CG 3.85Å; F674-E730 HydrophobicContact CE1-CB 3.48Å; F674-E730 VanDerWaalsContact CE1-CB 3.48Å; F674-E730 HydrophobicContact CE1-CG 3.55Å; F674-E730 HydrophobicContact CZ-CB 4.01Å; F674-I734 HydrophobicContact CE2-CD1 3.98Å; F674-I734 HydrophobicContact CZ-CD1 3.7Å
675	K	93.9	Very high	89	Confident	105 Å²	105	37.8 Å²	37.8	46%	0.457	21%	0.209	S	C	.	.	H	α-helix	trans	-61.5	-40.4	-178.9	-172.7	174.7	-178.6	177.4	0	111.6	T477 S481 M671 L672 Y677 A678	T477-K675 HydrophobicContact CG2-CB 4.01Å; T477-K675 HydrophobicContact CG2-CD 3.92Å; T477-K675 HydrophobicContact CG2-CG 3.75Å; S481-K675 PolarHBondContact OG-NZ 2.91Å; M671-K675 VanDerWaalsContact O-CB 3.27Å; M671-K675 WeakPolarHBondContact O-CB 3.46Å; M671-K675 PolarHBondContact O-N 3.42Å; L672-K675 PolarHBondContact O-N 3.48Å; K675-Y677 VanDerWaalsContact C-N 3.34Å; K675-A678 PolarHBondContact O-N 3.13Å
676	T	94.4	Very high	89.2	Confident	11 Å²	11	40.3 Å²	40.3	7%	0.067	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-40.4	175.6	-58.4	0	0	0	0	111.9	E473 L474 T477 Y600 L672 S673 F674	E473-T676 HydrophobicContact CB-CG2 3.7Å; L474-T676 HydrophobicContact CD2-CG2 4.44Å; T477-T676 WeakPolarHBondContact CB-OG1 3.3Å; T477-T676 WeakPolarHBondContact CG2-OG1 3.24Å; T477-T676 WeakPolarHBondContact OG1-CB 3.5Å; T477-T676 PolarHBondContact OG1-OG1 3.48Å; Y600-T676 HydrophobicContact CE1-CG2 3.59Å; Y600-T676 WeakPolarHBondContact OH-CG2 3.41Å; L672-T676 PolarHBondContact O-N 3.23Å; L672-T676 PolarHBondContact O-OG1 3.38Å; S673-T676 PolarHBondContact O-N 3.15Å; F674-T676 VanDerWaalsContact C-N 3.31Å; F674-T676 PolarHBondContact O-N 2.66Å
677	Y	93.6	Very high	89.1	Confident	22 Å²	22	44.4 Å²	44.4	9%	0.086	24%	0.237	C	C	.	.	H	α-helix	trans	-75.8	-39.4	177	168.3	-106.6	0	0	0	113.8	M596 Y600 S673 F674 K675 S679 D680 G681 G685 K686 F689	M596-Y677 HydrophobicContact CB-CD2 4.27Å; M596-Y677 HydrophobicContact CB-CE2 4.21Å; Y600-Y677 HydrophobicContact CD2-CD2 4.07Å; Y600-Y677 HydrophobicContact CD2-CG 4.34Å; S673-Y677 PolarHBondContact O-N 2.76Å; S673-Y677 VanDerWaalsContact O-N 3.15Å; F674-Y677 PolarHBondContact O-N 2.8Å; F674-Y677 VanDerWaalsContact O-N 3.17Å; K675-Y677 VanDerWaalsContact C-N 3.34Å; Y677-S679 VanDerWaalsContact C-N 3.26Å; Y677-S679 PolarHBondContact O-N 3.15Å; Y677-S679 VanDerWaalsContact O-N 3.16Å; Y677-D680 PolarHBondContact O-N 3.14Å; Y677-G681 PolarHBondContact O-N 3.47Å; Y677-G681 WeakPolarHBondContact OH-CA 3.31Å; Y677-G685 VanDerWaalsContact OH-C 3.32Å; Y677-G685 VanDerWaalsContact OH-CA 3.23Å; Y677-G685 WeakPolarHBondContact OH-CA 3.45Å; Y677-K686 HydrophobicContact CE1-CG 4.15Å; Y677-F689 HydrophobicContact CD1-CB 4.32Å; Y677-F689 HydrophobicContact CD1-CD2 4.19Å; Y677-F689 HydrophobicContact CE1-CB 4.38Å; Y677-F689 HydrophobicContact CG-CD2 4.5Å
678	A	87.1	Confident	89.1	Confident	18 Å²	18	46.9 Å²	46.9	15%	0.149	25%	0.25	C	C	.	.	H	α-helix	trans	-70.2	-16.4	-161.6	0	0	0	0	0	115	F674 K675 D680 K686	F674-A678 HydrophobicContact CD1-CB 3.96Å; F674-A678 HydrophobicContact CE1-CB 3.55Å; F674-A678 HydrophobicContact CE2-CB 4.37Å; F674-A678 HydrophobicContact CZ-CB 3.8Å; F674-A678 WeakPolarHBondContact O-CB 3.46Å; F674-A678 PolarHBondContact O-N 2.94Å; K675-A678 PolarHBondContact O-N 3.13Å; A678-D680 PolarHBondContact O-N 2.85Å; A678-K686 VanDerWaalsContact O-CE 3.28Å; A678-K686 WeakPolarHBondContact O-CE 3.41Å; A678-K686 PolarHBondContact O-NZ 3.07Å; A678-K686 VanDerWaalsContact O-NZ 3.14Å
679	S	74.5	Confident	89.1	Confident	90 Å²	90	46.7 Å²	46.7	63%	0.629	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.1	175.3	53.8	0	0	0	0	112	Y677	Y677-S679 VanDerWaalsContact C-N 3.26Å; Y677-S679 PolarHBondContact O-N 3.15Å; Y677-S679 VanDerWaalsContact O-N 3.16Å
680	D	71.1	Confident	89	Confident	153 Å²	153	46.8 Å²	46.8	82%	0.818	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-9.7	-172.8	-61.3	-23.4	0	0	0	113.3	Y677 A678	Y677-D680 PolarHBondContact O-N 3.14Å; A678-D680 PolarHBondContact O-N 2.85Å
681	G	74.4	Confident	88.7	Confident	12 Å²	12	48.9 Å²	48.9	12%	0.124	26%	0.264	C	S	.	.			trans	-83.9	132.7	-174	0	0	0	0	0	115	Y677 K686	Y677-G681 PolarHBondContact O-N 3.47Å; Y677-G681 WeakPolarHBondContact OH-CA 3.31Å; G681-K686 WeakPolarHBondContact O-CE 3.02Å; G681-K686 PolarHBondContact O-NZ 3.49Å
682	D	87.5	Confident	88.4	Confident	104 Å²	104	47.7 Å²	47.7	56%	0.556	26%	0.259	S	S	*	.			trans	-70.4	174.5	164.7	69.1	10.9	0	0	0	111.8	D684 G685 K686	D682-D684 VanDerWaalsContact C-N 3.27Å; D682-D684 PolarHBondContact O-N 3.4Å; D682-D684 PolarHBondContact OD1-N 3.34Å; D682-G685 PolarHBondContact O-N 3.41Å; D682-G685 PolarHBondContact OD1-N 2.92Å; D682-K686 WeakPolarHBondContact O-CB 3.38Å; D682-K686 VanDerWaalsContact O-CG 3.28Å; D682-K686 WeakPolarHBondContact O-CG 3.48Å; D682-K686 PolarHBondContact O-N 3.18Å
683	L	87	Confident	88.1	Confident	92 Å²	92	47.2 Å²	47.2	48%	0.482	26%	0.257	S	S	.	.	H	α-helix	trans	-62.8	-35.3	-177.3	-178	61.6	0	0	0	112.3	K686 K687 I734	L683-K686 PolarHBondContact O-N 3.04Å; L683-K687 WeakPolarHBondContact O-CG 3.42Å; L683-K687 PolarHBondContact O-N 3.08Å; L683-I734 HydrophobicContact CD1-CG1 4.29Å; L683-I734 HydrophobicContact CD1-CG2 4.32Å
684	D	88.3	Confident	87.6	Confident	110 Å²	110	47.6 Å²	47.6	59%	0.588	26%	0.26	S	S	*	.	H	α-helix	trans	-71.9	-43.1	-178.1	-69.9	-21.1	0	0	0	110.9	D682 K686 K687 L688	D682-D684 VanDerWaalsContact C-N 3.27Å; D682-D684 PolarHBondContact O-N 3.4Å; D682-D684 PolarHBondContact OD1-N 3.34Å; D684-K686 VanDerWaalsContact C-N 3.3Å; D684-K686 PolarHBondContact O-N 3.5Å; D684-K687 PolarHBondContact O-N 3.11Å; D684-L688 WeakPolarHBondContact O-CB 3.47Å; D684-L688 PolarHBondContact O-N 3.16Å
685	G	90.7	Very high	86.9	Confident	7 Å²	7	51.8 Å²	51.8	7%	0.072	28%	0.278	C	S	.	.	H	α-helix	trans	-63.2	-36	171.9	0	0	0	0	0	112.4	S597 Y677 D682 L688 F689	S597-G685 WeakPolarHBondContact CB-O 3.38Å; Y677-G685 VanDerWaalsContact OH-C 3.32Å; Y677-G685 VanDerWaalsContact OH-CA 3.23Å; Y677-G685 WeakPolarHBondContact OH-CA 3.45Å; D682-G685 PolarHBondContact O-N 3.41Å; D682-G685 PolarHBondContact OD1-N 2.92Å; G685-L688 PolarHBondContact O-N 3.21Å; G685-F689 PolarHBondContact O-N 3.17Å
686	K	91.3	Very high	86.4	Confident	54 Å²	54	47 Å²	47	24%	0.235	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-40	173.5	-76.5	169.4	175.3	157	0	112.7	F674 Y677 A678 G681 D682 L683 D684 F690 I734	F674-K686 HydrophobicContact CE2-CB 4.16Å; F674-K686 HydrophobicContact CE2-CG 3.96Å; F674-K686 HydrophobicContact CZ-CB 4.35Å; F674-K686 HydrophobicContact CZ-CD 4.19Å; F674-K686 HydrophobicContact CZ-CG 3.91Å; Y677-K686 HydrophobicContact CE1-CG 4.15Å; A678-K686 VanDerWaalsContact O-CE 3.28Å; A678-K686 WeakPolarHBondContact O-CE 3.41Å; A678-K686 PolarHBondContact O-NZ 3.07Å; A678-K686 VanDerWaalsContact O-NZ 3.14Å; G681-K686 WeakPolarHBondContact O-CE 3.02Å; G681-K686 PolarHBondContact O-NZ 3.49Å; D682-K686 WeakPolarHBondContact O-CB 3.38Å; D682-K686 VanDerWaalsContact O-CG 3.28Å; D682-K686 WeakPolarHBondContact O-CG 3.48Å; D682-K686 PolarHBondContact O-N 3.18Å; L683-K686 PolarHBondContact O-N 3.04Å; D684-K686 VanDerWaalsContact C-N 3.3Å; D684-K686 PolarHBondContact O-N 3.5Å; K686-F690 WeakPolarHBondContact O-CD2 3.48Å; K686-I734 HydrophobicContact CB-CD1 3.76Å; K686-I734 HydrophobicContact CB-CG1 4.42Å; K686-I734 HydrophobicContact CG-CD1 4.48Å
687	K	88.5	Confident	85.5	Confident	86 Å²	86	47.5 Å²	47.5	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-65.5	-42	171.3	-72.6	173.6	179.5	175.7	0	111.6	L683 D684 F689 F690 S691 I734	L683-K687 WeakPolarHBondContact O-CG 3.42Å; L683-K687 PolarHBondContact O-N 3.08Å; D684-K687 PolarHBondContact O-N 3.11Å; K687-F689 VanDerWaalsContact C-N 3.31Å; K687-F689 PolarHBondContact O-N 3.43Å; K687-F690 PolarHBondContact O-N 2.97Å; K687-S691 WeakPolarHBondContact O-CB 3.48Å; K687-S691 PolarHBondContact O-N 3.39Å; K687-I734 HydrophobicContact CB-CG2 4.43Å; K687-I734 HydrophobicContact CG-CG2 3.42Å; K687-I734 VanDerWaalsContact CG-CG2 3.42Å
688	L	90.6	Very high	84.2	Confident	56 Å²	56	48 Å²	48	29%	0.293	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-37.2	179.7	-176.6	57.3	0	0	0	111.7	E598 D684 G685 S691 S692	E598-L688 HydrophobicContact CG-CD1 4.04Å; E598-L688 HydrophobicContact CG-CD2 3.88Å; E598-L688 HydrophobicContact CG-CG 3.78Å; D684-L688 WeakPolarHBondContact O-CB 3.47Å; D684-L688 PolarHBondContact O-N 3.16Å; G685-L688 PolarHBondContact O-N 3.21Å; L688-S691 PolarHBondContact O-N 2.83Å; L688-S692 VanDerWaalsContact O-CB 3.31Å; L688-S692 WeakPolarHBondContact O-CB 3.32Å; L688-S692 PolarHBondContact O-N 3.11Å; L688-S692 PolarHBondContact O-OG 3.47Å
689	F	93.5	Very high	83.1	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-53.4	-56.3	171.6	171.6	-80.8	0	0	0	111.6	S597 Y600 G601 L670 F674 Y677 G685 K687 S691 S692 F693	S597-F689 WeakPolarHBondContact O-CA 3.47Å; Y600-F689 WeakPolarHBondContact O-CE2 3.23Å; G601-F689 VanDerWaalsContact N-CD2 3.3Å; L670-F689 HydrophobicContact CD1-CE1 3.67Å; L670-F689 HydrophobicContact CD1-CZ 3.78Å; L670-F689 HydrophobicContact CG-CE1 4.37Å; F674-F689 HydrophobicContact CB-CD1 4.44Å; F674-F689 HydrophobicContact CB-CE1 3.73Å; F674-F689 HydrophobicContact CB-CE2 4.2Å; F674-F689 HydrophobicContact CB-CZ 3.59Å; F674-F689 AromaticContact CD2-CD1 3.52Å; F674-F689 HydrophobicContact CD2-CD1 3.52Å; F674-F689 HydrophobicContact CD2-CD2 4.35Å; F674-F689 AromaticContact CD2-CE1 3.67Å; F674-F689 HydrophobicContact CD2-CE1 3.67Å; F674-F689 HydrophobicContact CD2-CE2 4.45Å; F674-F689 AromaticContact CD2-CG 3.92Å; F674-F689 HydrophobicContact CD2-CG 3.92Å; F674-F689 HydrophobicContact CD2-CZ 4.15Å; F674-F689 HydrophobicContact CE2-CD1 4.29Å; F674-F689 HydrophobicContact CG-CD1 4.44Å; F674-F689 HydrophobicContact CG-CE1 4.16Å; F674-F689 HydrophobicContact CG-CZ 4.39Å; Y677-F689 HydrophobicContact CD1-CB 4.32Å; Y677-F689 HydrophobicContact CD1-CD2 4.19Å; Y677-F689 HydrophobicContact CE1-CB 4.38Å; Y677-F689 HydrophobicContact CG-CD2 4.5Å; G685-F689 PolarHBondContact O-N 3.17Å; K687-F689 VanDerWaalsContact C-N 3.31Å; K687-F689 PolarHBondContact O-N 3.43Å; F689-S691 PolarHBondContact O-N 3.28Å; F689-S692 PolarHBondContact O-N 2.93Å; F689-F693 PolarHBondContact O-N 3.43Å
690	F	89.8	Confident	82.2	Confident	3 Å²	3	53.3 Å²	53.3	1%	0.013	27%	0.27	C	S	.	.	H	α-helix	trans	-68.2	-36.2	-176.7	-74.4	-67.7	0	0	0	112	L670 F674 K686 K687 S692 A694 L725 E730 F731 I734	L670-F690 HydrophobicContact CD2-CE1 4.28Å; F674-F690 HydrophobicContact CD2-CD2 4.45Å; F674-F690 AromaticContact CD2-CE2 3.6Å; F674-F690 HydrophobicContact CD2-CE2 3.6Å; F674-F690 AromaticContact CD2-CZ 3.67Å; F674-F690 HydrophobicContact CD2-CZ 3.67Å; F674-F690 HydrophobicContact CE2-CD2 4.21Å; F674-F690 AromaticContact CE2-CE2 3.39Å; F674-F690 HydrophobicContact CE2-CE2 3.39Å; F674-F690 AromaticContact CE2-CZ 3.91Å; F674-F690 HydrophobicContact CE2-CZ 3.91Å; F674-F690 HydrophobicContact CG-CE2 4.34Å; F674-F690 HydrophobicContact CG-CZ 4.01Å; F674-F690 HydrophobicContact CZ-CE2 4.02Å; F674-F690 HydrophobicContact CZ-CZ 4.48Å; K686-F690 WeakPolarHBondContact O-CD2 3.48Å; K687-F690 PolarHBondContact O-N 2.97Å; F690-S692 VanDerWaalsContact C-N 3.34Å; F690-A694 VanDerWaalsContact O-CB 3.32Å; F690-A694 WeakPolarHBondContact O-CB 3.13Å; F690-A694 PolarHBondContact O-N 2.86Å; F690-L725 HydrophobicContact CD1-CD2 3.59Å; F690-L725 HydrophobicContact CE1-CD2 4.08Å; F690-E730 HydrophobicContact CZ-CB 4.37Å; F690-F731 HydrophobicContact CB-CD2 4.11Å; F690-F731 HydrophobicContact CB-CE2 4.45Å; F690-F731 HydrophobicContact CD1-CB 4.29Å; F690-F731 AromaticContact CD1-CD2 3.84Å; F690-F731 HydrophobicContact CD1-CD2 3.84Å; F690-F731 HydrophobicContact CD2-CD2 4.26Å; F690-F731 HydrophobicContact CE1-CB 3.89Å; F690-F731 HydrophobicContact CE1-CD2 4.31Å; F690-F731 HydrophobicContact CE2-CB 4.29Å; F690-F731 AromaticContact CG-CD2 3.81Å; F690-F731 HydrophobicContact CG-CD2 3.81Å; F690-F731 HydrophobicContact CZ-CB 3.9Å; F690-I734 HydrophobicContact CD2-CD1 4Å; F690-I734 HydrophobicContact CE2-CD1 3.55Å
691	S	87.2	Confident	81.6	Confident	46 Å²	46	48.2 Å²	48.2	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-40	174	-175.1	0	0	0	0	112	K687 L688 F689 A694 K695	K687-S691 WeakPolarHBondContact O-CB 3.48Å; K687-S691 PolarHBondContact O-N 3.39Å; L688-S691 PolarHBondContact O-N 2.83Å; F689-S691 PolarHBondContact O-N 3.28Å; S691-A694 PolarHBondContact O-N 2.67Å; S691-K695 WeakPolarHBondContact O-CB 3.47Å; S691-K695 WeakPolarHBondContact O-CG 3.21Å; S691-K695 PolarHBondContact O-N 3.48Å; S691-K695 WeakPolarHBondContact OG-CE 3.17Å
692	S	88.4	Confident	80.7	Confident	11 Å²	11	47.7 Å²	47.7	8%	0.077	23%	0.234	C	C	.	.	H	α-helix	trans	-68.2	-43.4	179.4	-55.7	0	0	0	0	111.6	E598 L688 F689 F690 K695 M696	E598-S692 VanDerWaalsContact CG-OG 3.29Å; E598-S692 WeakPolarHBondContact CG-OG 3.43Å; L688-S692 VanDerWaalsContact O-CB 3.31Å; L688-S692 WeakPolarHBondContact O-CB 3.32Å; L688-S692 PolarHBondContact O-N 3.11Å; L688-S692 PolarHBondContact O-OG 3.47Å; F689-S692 PolarHBondContact O-N 2.93Å; F690-S692 VanDerWaalsContact C-N 3.34Å; S692-K695 PolarHBondContact O-N 3.42Å; S692-M696 WeakPolarHBondContact O-CB 3.47Å; S692-M696 PolarHBondContact O-N 3.06Å
693	F	88.5	Confident	79.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.5	-51	171.2	172.8	-110.3	0	0	0	111.5	G601 W605 L670 F689 K695 M696 M697 V721 I724 L725	G601-F693 WeakPolarHBondContact O-CA 3.27Å; G601-F693 VanDerWaalsContact O-CB 3.27Å; G601-F693 WeakPolarHBondContact O-CB 3.43Å; W605-F693 HydrophobicContact CB-CD2 4.33Å; W605-F693 AromaticContact CD1-CE2 3.8Å; W605-F693 HydrophobicContact CD2-CD2 4.09Å; W605-F693 AromaticContact CD2-CE2 3.57Å; W605-F693 HydrophobicContact CD2-CE2 3.57Å; W605-F693 AromaticContact CE2-CE2 3.51Å; W605-F693 HydrophobicContact CE3-CE2 4.17Å; W605-F693 AromaticContact CG-CD2 3.94Å; W605-F693 HydrophobicContact CG-CD2 3.94Å; W605-F693 AromaticContact CG-CE2 3.74Å; W605-F693 HydrophobicContact CG-CE2 3.74Å; W605-F693 HydrophobicContact CZ2-CE2 4.03Å; W605-F693 AromaticContact NE1-CE2 3.66Å; L670-F693 HydrophobicContact CD1-CB 4.26Å; L670-F693 HydrophobicContact CD1-CD1 3.9Å; L670-F693 HydrophobicContact CD1-CD2 3.73Å; L670-F693 HydrophobicContact CD1-CE1 4.14Å; L670-F693 HydrophobicContact CD1-CE2 4.02Å; L670-F693 HydrophobicContact CD1-CG 3.66Å; L670-F693 HydrophobicContact CD1-CZ 4.2Å; L670-F693 HydrophobicContact CD2-CD1 4.05Å; L670-F693 HydrophobicContact CD2-CE1 3.74Å; L670-F693 HydrophobicContact CD2-CZ 4.13Å; F689-F693 PolarHBondContact O-N 3.43Å; F693-K695 PolarHBondContact O-N 3.28Å; F693-M696 HydrophobicContact CD2-CE 3.95Å; F693-M696 HydrophobicContact CE2-CE 4.34Å; F693-M696 PolarHBondContact O-N 3.46Å; F693-M697 HydrophobicContact CD2-CG 4.05Å; F693-M697 HydrophobicContact CE1-CG 4.37Å; F693-M697 HydrophobicContact CE2-CG 3.59Å; F693-M697 HydrophobicContact CE2-SD 4.16Å; F693-M697 HydrophobicContact CZ-CG 3.78Å; F693-M697 VanDerWaalsContact O-CG 3.31Å; F693-M697 WeakPolarHBondContact O-CG 3.42Å; F693-M697 PolarHBondContact O-N 3.11Å; F693-V721 HydrophobicContact CD1-CG2 3.94Å; F693-V721 HydrophobicContact CE1-CG2 3.39Å; F693-V721 HydrophobicContact CZ-CG2 3.93Å; F693-I724 HydrophobicContact CE1-CG2 4.39Å; F693-I724 HydrophobicContact CZ-CB 4.44Å; F693-I724 HydrophobicContact CZ-CD1 3.82Å; F693-I724 HydrophobicContact CZ-CG2 4.13Å; F693-L725 HydrophobicContact CD1-CD2 3.93Å; F693-L725 HydrophobicContact CD1-CG 4.41Å; F693-L725 HydrophobicContact CE1-CD2 4.01Å; F693-L725 HydrophobicContact CE1-CG 4.15Å
694	A	84.8	Confident	77.7	Confident	8 Å²	8	43.4 Å²	43.4	7%	0.066	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-49.9	179.1	0	0	0	0	0	112.5	A139 F690 S691 M696 M697 C698	A139-A694 HydrophobicContact CB-CB 4.05Å; F690-A694 VanDerWaalsContact O-CB 3.32Å; F690-A694 WeakPolarHBondContact O-CB 3.13Å; F690-A694 PolarHBondContact O-N 2.86Å; S691-A694 PolarHBondContact O-N 2.67Å; A694-M696 VanDerWaalsContact C-N 3.34Å; A694-M696 PolarHBondContact O-N 3.28Å; A694-M697 PolarHBondContact O-N 2.86Å; A694-C698 PolarHBondContact O-N 3.36Å; A694-C698 PolarHBondContact O-SG 3.04Å
695	K	79.7	Confident	76.3	Confident	99 Å²	99	38.2 Å²	38.2	43%	0.43	19%	0.189	S	C	.	.	H	α-helix	trans	-56.6	-48	177.9	-77	170.3	-179.3	174.6	0	111.6	Y143 S691 S692 F693 M697 C698 T699	Y143-K695 HydrophobicContact CD2-CG 4.39Å; S691-K695 WeakPolarHBondContact O-CB 3.47Å; S691-K695 WeakPolarHBondContact O-CG 3.21Å; S691-K695 PolarHBondContact O-N 3.48Å; S691-K695 WeakPolarHBondContact OG-CE 3.17Å; S692-K695 PolarHBondContact O-N 3.42Å; F693-K695 PolarHBondContact O-N 3.28Å; K695-M697 PolarHBondContact O-N 3.5Å; K695-C698 PolarHBondContact O-N 3.05Å; K695-T699 WeakPolarHBondContact O-CG2 3.37Å; K695-T699 PolarHBondContact O-N 3.27Å
696	M	82.8	Confident	74.8	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-48.3	177.4	176.4	-171.2	73.1	0	0	111	Y589 T602 W605 F606 S692 F693 A694 C698 T699 S702	Y589-M696 HydrophobicContact CD1-CG 4.2Å; Y589-M696 HydrophobicContact CD1-SD 4.14Å; Y589-M696 HydrophobicContact CE1-CG 4.47Å; T602-M696 VanDerWaalsContact CA-SD 3.57Å; T602-M696 HydrophobicContact CG2-CB 4.12Å; T602-M696 HydrophobicContact CG2-SD 3.93Å; W605-M696 HydrophobicContact CD2-CE 4.22Å; W605-M696 HydrophobicContact CE3-CE 3.42Å; W605-M696 VanDerWaalsContact CE3-CE 3.42Å; W605-M696 HydrophobicContact CZ3-CE 3.84Å; F606-M696 HydrophobicContact CD2-CE 4.45Å; F606-M696 HydrophobicContact CD2-SD 4.09Å; F606-M696 HydrophobicContact CE2-CE 3.98Å; F606-M696 HydrophobicContact CE2-SD 3.5Å; F606-M696 VanDerWaalsContact CE2-SD 3.5Å; F606-M696 HydrophobicContact CZ-SD 4.43Å; S692-M696 WeakPolarHBondContact O-CB 3.47Å; S692-M696 PolarHBondContact O-N 3.06Å; F693-M696 HydrophobicContact CD2-CE 3.95Å; F693-M696 HydrophobicContact CE2-CE 4.34Å; F693-M696 PolarHBondContact O-N 3.46Å; A694-M696 VanDerWaalsContact C-N 3.34Å; A694-M696 PolarHBondContact O-N 3.28Å; M696-C698 PolarHBondContact O-N 2.86Å; M696-T699 WeakPolarHBondContact O-CB 3.46Å; M696-T699 PolarHBondContact O-N 3Å; M696-T699 VanDerWaalsContact O-N 3.14Å; M696-T699 PolarHBondContact O-OG1 3.2Å; M696-S702 VanDerWaalsContact O-CB 3.3Å; M696-S702 WeakPolarHBondContact O-CB 3.29Å; M696-S702 PolarHBondContact O-OG 2.95Å
697	M	75.4	Confident	73	Confident	22 Å²	22	37.1 Å²	37.1	11%	0.108	19%	0.185	C	C	.	.	H	α-helix	trans	-68.1	-30.4	-178.7	-69.3	-64.9	-75	0	0	113.7	W605 F693 A694 K695 T699 I706 Y717 V721 I724	W605-M697 HydrophobicContact CH2-CE 3.97Å; W605-M697 HydrophobicContact CH2-SD 3.56Å; W605-M697 VanDerWaalsContact CH2-SD 3.56Å; W605-M697 HydrophobicContact CZ2-CE 4.34Å; W605-M697 HydrophobicContact CZ2-SD 4.24Å; W605-M697 HydrophobicContact CZ3-SD 3.75Å; F693-M697 HydrophobicContact CD2-CG 4.05Å; F693-M697 HydrophobicContact CE1-CG 4.37Å; F693-M697 HydrophobicContact CE2-CG 3.59Å; F693-M697 HydrophobicContact CE2-SD 4.16Å; F693-M697 HydrophobicContact CZ-CG 3.78Å; F693-M697 VanDerWaalsContact O-CG 3.31Å; F693-M697 WeakPolarHBondContact O-CG 3.42Å; F693-M697 PolarHBondContact O-N 3.11Å; A694-M697 PolarHBondContact O-N 2.86Å; K695-M697 PolarHBondContact O-N 3.5Å; M697-T699 PolarHBondContact O-N 3.23Å; M697-I706 HydrophobicContact CE-CD1 3.92Å; M697-I706 HydrophobicContact SD-CD1 3.98Å; M697-Y717 HydrophobicContact CE-CE1 3.58Å; M697-Y717 VanDerWaalsContact CE-OH 3.23Å; M697-Y717 WeakPolarHBondContact CE-OH 3.43Å; M697-V721 HydrophobicContact CB-CB 4.14Å; M697-V721 HydrophobicContact CB-CG2 3.53Å; M697-V721 HydrophobicContact CG-CG2 3.79Å; M697-I724 HydrophobicContact CE-CD1 3.93Å
698	C	68.2	Low	71.3	Confident	31 Å²	31	37 Å²	37	21%	0.209	19%	0.192	C	C	.	.	H	α-helix	trans	-72.8	-10.4	174.1	-62.7	0	0	0	0	112.8	C140 Y143 A694 K695 M696	C140-C698 VanDerWaalsContact CA-SG 3.52Å; C140-C698 HydrophobicContact CB-CB 4.1Å; C140-C698 WeakPolarHBondContact CB-SG 3.09Å; C140-C698 WeakPolarHBondContact SG-CB 3.24Å; C140-C698 CovalentContact SG-SG 2.06Å; C140-C698 PolarHBondContact SG-SG 3.25Å; Y143-C698 HydrophobicContact CD1-CB 4.33Å; A694-C698 PolarHBondContact O-N 3.36Å; A694-C698 PolarHBondContact O-SG 3.04Å; K695-C698 PolarHBondContact O-N 3.05Å; M696-C698 PolarHBondContact O-N 2.86Å
699	T	62.8	Low	69.6	Low	18 Å²	18	35.3 Å²	35.3	11%	0.11	18%	0.183	C	C	.	.	S	Bend	trans	-74.3	135.9	172.5	70.6	0	0	0	0	110.6	P588 K695 M696 M697 Y701 S702	P588-T699 HydrophobicContact CG-CG2 4.49Å; K695-T699 WeakPolarHBondContact O-CG2 3.37Å; K695-T699 PolarHBondContact O-N 3.27Å; M696-T699 WeakPolarHBondContact O-CB 3.46Å; M696-T699 PolarHBondContact O-N 3Å; M696-T699 VanDerWaalsContact O-N 3.14Å; M696-T699 PolarHBondContact O-OG1 3.2Å; M697-T699 PolarHBondContact O-N 3.23Å; T699-Y701 PolarHBondContact O-N 3.06Å; T699-S702 PolarHBondContact O-N 3.34Å; T699-S702 VanDerWaalsContact O-N 3.11Å; T699-S702 PolarHBondContact OG1-N 3.35Å; T699-S702 PolarHBondContact OG1-OG 3.26Å
700	R	56.3	Low	68	Low	202 Å²	202	35.5 Å²	35.5	76%	0.762	18%	0.184	S	C	*	.	H	α-helix	trans	-52.1	-31.9	175.6	-176.1	175.2	168.9	159.9	-3.1	112.3	A703 D704	R700-A703 PolarHBondContact O-N 2.81Å; R700-D704 PolarHBondContact O-N 2.79Å
701	Y	57.2	Low	66.2	Low	47 Å²	47	39.8 Å²	39.8	18%	0.184	21%	0.205	C	C	.	.	H	α-helix	trans	-69.6	-33.7	-178.3	-55.5	-51.6	0	0	0	114.3	S158 P160 T699 A703 D704 V705	S158-Y701 WeakPolarHBondContact O-CE2 3Å; S158-Y701 PolarHBondContact O-OH 3.45Å; S158-Y701 VanDerWaalsContact O-OH 3.06Å; P160-Y701 HydrophobicContact CB-CD1 3.4Å; P160-Y701 HydrophobicContact CB-CE1 3.93Å; P160-Y701 HydrophobicContact CB-CG 4.02Å; P160-Y701 HydrophobicContact CG-CD1 3.37Å; P160-Y701 HydrophobicContact CG-CE1 3.43Å; P160-Y701 VanDerWaalsContact CG-CE1 3.43Å; P160-Y701 HydrophobicContact CG-CG 4.42Å; T699-Y701 PolarHBondContact O-N 3.06Å; Y701-A703 VanDerWaalsContact C-N 3.33Å; Y701-A703 PolarHBondContact O-N 3.4Å; Y701-D704 PolarHBondContact O-N 2.9Å; Y701-V705 WeakPolarHBondContact O-CB 3.5Å; Y701-V705 WeakPolarHBondContact O-CG2 3.36Å; Y701-V705 PolarHBondContact O-N 3.15Å
702	S	57	Low	64.4	Low	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-42.1	176.5	-67.9	0	0	0	0	111	M696 T699 D704 V705 I706	M696-S702 VanDerWaalsContact O-CB 3.3Å; M696-S702 WeakPolarHBondContact O-CB 3.29Å; M696-S702 PolarHBondContact O-OG 2.95Å; T699-S702 PolarHBondContact O-N 3.34Å; T699-S702 VanDerWaalsContact O-N 3.11Å; T699-S702 PolarHBondContact OG1-N 3.35Å; T699-S702 PolarHBondContact OG1-OG 3.26Å; S702-D704 VanDerWaalsContact C-N 3.35Å; S702-D704 PolarHBondContact O-N 2.91Å; S702-V705 PolarHBondContact O-N 2.72Å; S702-I706 WeakPolarHBondContact O-CB 3.29Å; S702-I706 VanDerWaalsContact O-CD1 3.24Å; S702-I706 WeakPolarHBondContact O-CD1 3.24Å; S702-I706 WeakPolarHBondContact O-CG1 3.24Å; S702-I706 PolarHBondContact O-N 3.14Å
703	A	55.9	Low	62.4	Low	38 Å²	38	37.6 Å²	37.6	31%	0.314	19%	0.189	S	C	.	.	H	α-helix	trans	-62.8	-40.2	174.8	0	0	0	0	0	112.2	R700 Y701 T707	R700-A703 PolarHBondContact O-N 2.81Å; Y701-A703 VanDerWaalsContact C-N 3.33Å; Y701-A703 PolarHBondContact O-N 3.4Å; A703-T707 WeakPolarHBondContact O-CB 3.4Å; A703-T707 PolarHBondContact O-N 3.14Å; A703-T707 PolarHBondContact O-OG1 2.92Å
704	D	54.7	Low	60.4	Low	68 Å²	68	45.1 Å²	45.1	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-67.8	-45.7	177.4	-75.6	-24.4	0	0	0	111.8	R700 Y701 S702 T707 T708	R700-D704 PolarHBondContact O-N 2.79Å; Y701-D704 PolarHBondContact O-N 2.9Å; S702-D704 VanDerWaalsContact C-N 3.35Å; S702-D704 PolarHBondContact O-N 2.91Å; D704-T707 PolarHBondContact O-N 2.99Å; D704-T708 WeakPolarHBondContact O-CB 3.42Å; D704-T708 PolarHBondContact O-N 3.41Å; D704-T708 PolarHBondContact O-OG1 2.62Å
705	V	59.5	Low	58.5	Low	2 Å²	2	46.2 Å²	46.2	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-44.6	175.9	168.6	0	0	0	0	110.7	P567 Y589 F606 Y701 S702 T707 N709 L710	P567-V705 HydrophobicContact CB-CG1 4.07Å; P567-V705 HydrophobicContact CB-CG2 3.75Å; P567-V705 HydrophobicContact CG-CG2 3.89Å; Y589-V705 WeakPolarHBondContact OH-CG2 3.49Å; F606-V705 HydrophobicContact CE1-CG1 4.36Å; Y701-V705 WeakPolarHBondContact O-CB 3.5Å; Y701-V705 WeakPolarHBondContact O-CG2 3.36Å; Y701-V705 PolarHBondContact O-N 3.15Å; S702-V705 PolarHBondContact O-N 2.72Å; V705-T707 PolarHBondContact O-N 3.49Å; V705-N709 HydrophobicContact CG1-CB 4.35Å; V705-N709 CarbonylContact O-C 3.58Å; V705-N709 WeakPolarHBondContact O-CA 3.36Å; V705-N709 WeakPolarHBondContact O-CB 3.38Å; V705-N709 PolarHBondContact O-N 3.5Å; V705-L710 PolarHBondContact O-N 3.17Å
706	I	59.1	Low	57.3	Low	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-45.3	176.7	-63.3	159.1	0	0	0	110.7	W605 F606 M697 S702 L710 S713 Y717	W605-I706 HydrophobicContact CH2-CD1 3.95Å; W605-I706 HydrophobicContact CH2-CG1 4.49Å; W605-I706 HydrophobicContact CZ3-CD1 4.43Å; F606-I706 HydrophobicContact CE1-CG1 4.34Å; M697-I706 HydrophobicContact CE-CD1 3.92Å; M697-I706 HydrophobicContact SD-CD1 3.98Å; S702-I706 WeakPolarHBondContact O-CB 3.29Å; S702-I706 VanDerWaalsContact O-CD1 3.24Å; S702-I706 WeakPolarHBondContact O-CD1 3.24Å; S702-I706 WeakPolarHBondContact O-CG1 3.24Å; S702-I706 PolarHBondContact O-N 3.14Å; I706-L710 HydrophobicContact CB-CD1 3.85Å; I706-L710 HydrophobicContact CG1-CD1 3.65Å; I706-L710 HydrophobicContact CG2-CD1 3.76Å; I706-L710 WeakPolarHBondContact O-CB 3.42Å; I706-S713 PolarHBondContact O-OG 2.75Å; I706-S713 VanDerWaalsContact O-OG 3.09Å; I706-Y717 HydrophobicContact CB-CD2 4.04Å; I706-Y717 HydrophobicContact CB-CG 4Å; I706-Y717 HydrophobicContact CD1-CD1 3.97Å; I706-Y717 HydrophobicContact CD1-CD2 4.31Å; I706-Y717 HydrophobicContact CD1-CE1 3.81Å; I706-Y717 HydrophobicContact CD1-CE2 4.13Å; I706-Y717 HydrophobicContact CD1-CG 4.19Å; I706-Y717 HydrophobicContact CG2-CD1 4.36Å; I706-Y717 HydrophobicContact CG2-CD2 3.04Å; I706-Y717 HydrophobicContact CG2-CE2 3.56Å; I706-Y717 HydrophobicContact CG2-CG 3.48Å; I706-Y717 VanDerWaalsContact CG2-CG 3.48Å
707	T	52.3	Low	56.3	Low	37 Å²	37	52.6 Å²	52.6	23%	0.227	26%	0.258	C	S	.	.	H	α-helix	trans	-67.6	-39.4	-178.2	-65.4	0	0	0	0	113.4	A703 D704 V705 R716 Y717	A703-T707 WeakPolarHBondContact O-CB 3.4Å; A703-T707 PolarHBondContact O-N 3.14Å; A703-T707 PolarHBondContact O-OG1 2.92Å; D704-T707 PolarHBondContact O-N 2.99Å; V705-T707 PolarHBondContact O-N 3.49Å; T707-R716 HydrophobicContact CG2-CB 4.33Å; T707-R716 HydrophobicContact CG2-CG 3.81Å; T707-Y717 WeakPolarHBondContact OG1-CB 3.45Å; T707-Y717 PolarHBondContact OG1-N 3.25Å
708	T	52.6	Low	56	Low	85 Å²	85	56.1 Å²	56.1	52%	0.521	27%	0.272	S	S	.	.	H	α-helix	trans	-107.1	-27	-166.9	59.9	0	0	0	0	113.7	D704	D704-T708 WeakPolarHBondContact O-CB 3.42Å; D704-T708 PolarHBondContact O-N 3.41Å; D704-T708 PolarHBondContact O-OG1 2.62Å
709	N	55.7	Low	56.4	Low	19 Å²	19	55.2 Å²	55.2	10%	0.102	27%	0.265	C	S	.	.	H	α-helix	trans	-121.9	-2.2	-167.9	-60.4	-24.4	0	0	0	113.7	M566 P567 Y568 V705	M566-N709 WeakPolarHBondContact CG-ND2 2.89Å; P567-N709 WeakPolarHBondContact O-CB 3.17Å; P567-N709 PolarHBondContact O-ND2 2.91Å; Y568-N709 HydrophobicContact CD2-CB 4Å; Y568-N709 VanDerWaalsContact CD2-O 3.27Å; Y568-N709 WeakPolarHBondContact CD2-O 3.43Å; Y568-N709 WeakPolarHBondContact CE2-O 3.27Å; V705-N709 HydrophobicContact CG1-CB 4.35Å; V705-N709 CarbonylContact O-C 3.58Å; V705-N709 WeakPolarHBondContact O-CA 3.36Å; V705-N709 WeakPolarHBondContact O-CB 3.38Å; V705-N709 PolarHBondContact O-N 3.5Å
710	L	59.4	Low	57.1	Low	4 Å²	4	57 Å²	57	2%	0.021	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-99.7	108.4	167.1	-60.5	-178.6	0	0	0	109.4	I569 F606 R609 V705 I706 S712 S713	I569-L710 HydrophobicContact CB-CD2 4.25Å; I569-L710 HydrophobicContact CG2-CD2 3.01Å; I569-L710 HydrophobicContact CG2-CG 4.45Å; F606-L710 HydrophobicContact CE1-CD1 4.28Å; R609-L710 VanDerWaalsContact CZ-CD1 3.49Å; R609-L710 VanDerWaalsContact NH1-CD1 3.34Å; V705-L710 PolarHBondContact O-N 3.17Å; I706-L710 HydrophobicContact CB-CD1 3.85Å; I706-L710 HydrophobicContact CG1-CD1 3.65Å; I706-L710 HydrophobicContact CG2-CD1 3.76Å; I706-L710 WeakPolarHBondContact O-CB 3.42Å; L710-S712 PolarHBondContact O-N 2.04Å; L710-S713 PolarHBondContact O-N 3.38Å; L710-S713 PolarHBondContact O-OG 3.37Å
711	Q	52.2	Low	58.4	Low	94 Å²	94	48.1 Å²	48.1	44%	0.439	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.2	178.5	-69.7	-167.8	-73.1	0	0	113.4	Y568 S713	Y568-Q711 PolarHBondContact OH-OE1 2.75Å; Q711-S713 PolarHBondContact O-N 3.3Å
712	S	50.7	Low	59.7	Low	1 Å²	1	46.8 Å²	46.8	1%	0.007	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.3	179.7	57.7	0	0	0	0	115.3	R609 Y613 L710	R609-S712 VanDerWaalsContact CZ-OG 3.31Å; R609-S712 PolarHBondContact NH1-OG 3.33Å; R609-S712 PolarHBondContact NH2-OG 3.35Å; Y613-S712 VanDerWaalsContact CE2-CB 3.47Å; Y613-S712 VanDerWaalsContact CZ-CA 3.42Å; Y613-S712 WeakPolarHBondContact OH-CA 3.48Å; Y613-S712 PolarHBondContact OH-O 2.89Å; L710-S712 PolarHBondContact O-N 2.04Å
713	S	45.4	Very low	61	Low	10 Å²	10	48.3 Å²	48.3	7%	0.07	25%	0.249	C	C	.	.			trans	-123.1	104.2	-177.4	54.4	0	0	0	0	110.7	I706 L710 Q711 S715	I706-S713 PolarHBondContact O-OG 2.75Å; I706-S713 VanDerWaalsContact O-OG 3.09Å; L710-S713 PolarHBondContact O-N 3.38Å; L710-S713 PolarHBondContact O-OG 3.37Å; Q711-S713 PolarHBondContact O-N 3.3Å; S713-S715 PolarHBondContact O-N 3.07Å; S713-S715 VanDerWaalsContact O-N 3.07Å
714	N	47.1	Very low	62.6	Low	158 Å²	158	46.5 Å²	46.5	85%	0.845	24%	0.235	S	C	*	.	S	Bend	trans	-70	6.9	170.1	-78.4	-22.9	0	0	0	113.1
715	S	45.2	Very low	64.2	Low	30 Å²	30	43.4 Å²	43.4	21%	0.21	22%	0.218	C	C	.	.	S	Bend	trans	-135.6	157.5	-173.1	67.6	0	0	0	0	111	D659 S713 Y717	D659-S715 WeakPolarHBondContact OD1-CB 3.33Å; D659-S715 PolarHBondContact OD1-OG 2.99Å; S713-S715 PolarHBondContact O-N 3.07Å; S713-S715 VanDerWaalsContact O-N 3.07Å; S715-Y717 PolarHBondContact O-N 2.72Å
716	R	54	Low	65.6	Low	205 Å²	205	44.3 Å²	44.3	77%	0.774	22%	0.222	S	C	*	.			trans	-51.2	132.4	169.4	-91.9	-178.5	-79.1	-179.6	-3.2	109.5	T707 K718	T707-R716 HydrophobicContact CG2-CB 4.33Å; T707-R716 HydrophobicContact CG2-CG 3.81Å; R716-K718 WeakPolarHBondContact O-CG 3.41Å; R716-K718 PolarHBondContact O-N 2.91Å
717	Y	62.6	Low	67.1	Low	34 Å²	34	44.3 Å²	44.3	13%	0.133	22%	0.222	C	C	.	.			trans	-56.1	124.7	174.7	-167.3	-116.7	0	0	0	110	D666 M697 I706 T707 S715 F719 I724	D666-Y717 WeakPolarHBondContact OD2-CE2 3.33Å; D666-Y717 PolarHBondContact OD2-OH 3.48Å; M697-Y717 HydrophobicContact CE-CE1 3.58Å; M697-Y717 VanDerWaalsContact CE-OH 3.23Å; M697-Y717 WeakPolarHBondContact CE-OH 3.43Å; I706-Y717 HydrophobicContact CB-CD2 4.04Å; I706-Y717 HydrophobicContact CB-CG 4Å; I706-Y717 HydrophobicContact CD1-CD1 3.97Å; I706-Y717 HydrophobicContact CD1-CD2 4.31Å; I706-Y717 HydrophobicContact CD1-CE1 3.81Å; I706-Y717 HydrophobicContact CD1-CE2 4.13Å; I706-Y717 HydrophobicContact CD1-CG 4.19Å; I706-Y717 HydrophobicContact CG2-CD1 4.36Å; I706-Y717 HydrophobicContact CG2-CD2 3.04Å; I706-Y717 HydrophobicContact CG2-CE2 3.56Å; I706-Y717 HydrophobicContact CG2-CG 3.48Å; I706-Y717 VanDerWaalsContact CG2-CG 3.48Å; T707-Y717 WeakPolarHBondContact OG1-CB 3.45Å; T707-Y717 PolarHBondContact OG1-N 3.25Å; S715-Y717 PolarHBondContact O-N 2.72Å; Y717-F719 WeakPolarHBondContact CE1-O 3.47Å; Y717-F719 HydrophobicContact CE2-CD2 4.18Å; Y717-I724 WeakPolarHBondContact OH-CD1 3.19Å
718	K	67.8	Low	68.9	Low	95 Å²	95	42.7 Å²	42.7	41%	0.413	21%	0.212	S	C	.	.			trans	-112.8	-12.9	-169.5	-56	-170.6	179.9	163.5	0	113.8	Y655 D659 R716	Y655-K718 HydrophobicContact CD1-CD 4.05Å; Y655-K718 HydrophobicContact CE1-CB 3.63Å; Y655-K718 HydrophobicContact CE1-CD 3.46Å; Y655-K718 VanDerWaalsContact CE1-CD 3.46Å; Y655-K718 HydrophobicContact CE1-CG 4.14Å; D659-K718 IonicContact OD2-NZ 2.65Å; D659-K718 PolarHBondContact OD2-NZ 3.2Å; R716-K718 WeakPolarHBondContact O-CG 3.41Å; R716-K718 PolarHBondContact O-N 2.91Å
719	F	76.2	Confident	70.8	Confident	13 Å²	13	42.1 Å²	42.1	6%	0.057	20%	0.204	C	C	.	.			trans	-96.1	135.7	-166.8	-53.7	-68.9	0	0	0	111.9	F652 Y655 D659 L663 Y717 E723	F652-F719 HydrophobicContact CD1-CD1 4.43Å; F652-F719 HydrophobicContact CD1-CE1 4.08Å; F652-F719 AromaticContact CE1-CD1 3.96Å; F652-F719 HydrophobicContact CE1-CD1 3.96Å; F652-F719 HydrophobicContact CE1-CE1 4.06Å; Y655-F719 AromaticContact CD1-CE1 3.67Å; Y655-F719 HydrophobicContact CD1-CE1 3.67Å; Y655-F719 AromaticContact CD1-CZ 3.7Å; Y655-F719 HydrophobicContact CD1-CZ 3.7Å; Y655-F719 HydrophobicContact CE1-CD1 4.24Å; Y655-F719 AromaticContact CE1-CE1 3.46Å; Y655-F719 HydrophobicContact CE1-CE1 3.46Å; Y655-F719 VanDerWaalsContact CE1-CE1 3.46Å; Y655-F719 AromaticContact CE1-CZ 3.81Å; Y655-F719 HydrophobicContact CE1-CZ 3.81Å; Y655-F719 HydrophobicContact CG-CE1 4.34Å; D659-F719 HydrophobicContact CB-CE2 4.39Å; D659-F719 HydrophobicContact CB-CZ 4.01Å; D659-F719 WeakPolarHBondContact O-CE2 3.47Å; D659-F719 WeakPolarHBondContact O-CZ 3.31Å; L663-F719 HydrophobicContact CB-CD1 4.43Å; L663-F719 HydrophobicContact CB-CD2 3.95Å; L663-F719 HydrophobicContact CB-CE1 4.18Å; L663-F719 HydrophobicContact CB-CE2 3.69Å; L663-F719 HydrophobicContact CB-CG 4.32Å; L663-F719 HydrophobicContact CB-CZ 3.79Å; L663-F719 HydrophobicContact CD1-CB 4.13Å; L663-F719 HydrophobicContact CD1-CD1 4.17Å; L663-F719 HydrophobicContact CD1-CD2 4.2Å; L663-F719 HydrophobicContact CD1-CG 3.89Å; L663-F719 HydrophobicContact CD2-CD1 3.91Å; L663-F719 HydrophobicContact CD2-CE1 3.8Å; L663-F719 HydrophobicContact CD2-CG 4.43Å; L663-F719 HydrophobicContact CD2-CZ 4.24Å; L663-F719 HydrophobicContact CG-CD1 4.4Å; L663-F719 HydrophobicContact CG-CE1 4.43Å; L663-F719 HydrophobicContact CG-CG 4.43Å; Y717-F719 WeakPolarHBondContact CE1-O 3.47Å; Y717-F719 HydrophobicContact CE2-CD2 4.18Å; F719-E723 WeakPolarHBondContact CA-OE2 3.49Å; F719-E723 WeakPolarHBondContact CB-OE2 3.38Å
720	S	79.3	Confident	72.4	Confident	56 Å²	56	44.4 Å²	44.4	39%	0.392	21%	0.213	S	C	.	.			trans	-77.5	158.6	173	72	0	0	0	0	111	N722 E723	S720-N722 PolarHBondContact O-N 3.23Å; S720-E723 PolarHBondContact N-OE2 3.14Å; S720-E723 WeakPolarHBondContact O-CB 3.46Å; S720-E723 PolarHBondContact O-N 3.33Å; S720-E723 WeakPolarHBondContact OG-CG 3.48Å; S720-E723 PolarHBondContact OG-N 2.93Å
721	V	82.6	Confident	73.8	Confident	15 Å²	15	44.8 Å²	44.8	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-60.8	-30.7	176.7	92.8	0	0	0	0	112.3	A139 F693 M697 E723 I724 L725	A139-V721 HydrophobicContact CB-CG1 3.48Å; A139-V721 VanDerWaalsContact CB-CG1 3.48Å; F693-V721 HydrophobicContact CD1-CG2 3.94Å; F693-V721 HydrophobicContact CE1-CG2 3.39Å; F693-V721 HydrophobicContact CZ-CG2 3.93Å; M697-V721 HydrophobicContact CB-CB 4.14Å; M697-V721 HydrophobicContact CB-CG2 3.53Å; M697-V721 HydrophobicContact CG-CG2 3.79Å; V721-E723 VanDerWaalsContact C-N 3.33Å; V721-E723 PolarHBondContact O-N 3.5Å; V721-I724 PolarHBondContact O-N 3.49Å; V721-L725 HydrophobicContact CG1-CD1 4.11Å; V721-L725 HydrophobicContact CG2-CD1 4.41Å; V721-L725 WeakPolarHBondContact O-CG 3.27Å; V721-L725 PolarHBondContact O-N 3.3Å
722	N	83.8	Confident	75.5	Confident	18 Å²	18	40.4 Å²	40.4	10%	0.096	20%	0.195	C	C	.	.	H	α-helix	trans	-68.4	-33.1	178.1	-69.3	-9.1	0	0	0	112	P135 S720 I724 L725 K726 M743	P135-N722 PolarHBondContact O-ND2 3.08Å; S720-N722 PolarHBondContact O-N 3.23Å; N722-I724 PolarHBondContact O-N 3.35Å; N722-L725 PolarHBondContact O-N 3.39Å; N722-K726 WeakPolarHBondContact O-CB 3.03Å; N722-K726 WeakPolarHBondContact O-CG 3.05Å; N722-K726 PolarHBondContact O-N 3.18Å; N722-M743 HydrophobicContact CB-CE 4.18Å; N722-M743 HydrophobicContact CB-SD 3.91Å
723	E	85.9	Confident	77.2	Confident	32 Å²	32	45.3 Å²	45.3	15%	0.15	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-19.3	175.7	-77	170.3	153.8	0	0	112.8	F652 F719 S720 V721 H727	F652-E723 HydrophobicContact CE1-CB 4.21Å; F652-E723 HydrophobicContact CE1-CG 3.91Å; F652-E723 HydrophobicContact CZ-CB 3.88Å; F652-E723 HydrophobicContact CZ-CG 3.81Å; F719-E723 WeakPolarHBondContact CA-OE2 3.49Å; F719-E723 WeakPolarHBondContact CB-OE2 3.38Å; S720-E723 PolarHBondContact N-OE2 3.14Å; S720-E723 WeakPolarHBondContact O-CB 3.46Å; S720-E723 PolarHBondContact O-N 3.33Å; S720-E723 WeakPolarHBondContact OG-CG 3.48Å; S720-E723 PolarHBondContact OG-N 2.93Å; V721-E723 VanDerWaalsContact C-N 3.33Å; V721-E723 PolarHBondContact O-N 3.5Å; E723-H727 PolarHBondContact O-CD2 2.9Å
724	I	88.5	Confident	79	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-92.1	-53.1	173	-54.4	165.7	0	0	0	109.7	L663 D666 I667 L670 F693 M697 Y717 V721 N722 K726 H727	L663-I724 HydrophobicContact CD1-CG1 4.12Å; D666-I724 HydrophobicContact CB-CD1 3.94Å; D666-I724 HydrophobicContact CB-CG1 4.1Å; I667-I724 HydrophobicContact CG1-CG2 4.26Å; L670-I724 HydrophobicContact CB-CG2 4.36Å; L670-I724 HydrophobicContact CD2-CG2 3.78Å; F693-I724 HydrophobicContact CE1-CG2 4.39Å; F693-I724 HydrophobicContact CZ-CB 4.44Å; F693-I724 HydrophobicContact CZ-CD1 3.82Å; F693-I724 HydrophobicContact CZ-CG2 4.13Å; M697-I724 HydrophobicContact CE-CD1 3.93Å; Y717-I724 WeakPolarHBondContact OH-CD1 3.19Å; V721-I724 PolarHBondContact O-N 3.49Å; N722-I724 PolarHBondContact O-N 3.35Å; I724-K726 VanDerWaalsContact C-N 3.28Å; I724-K726 PolarHBondContact O-N 3.49Å; I724-H727 WeakPolarHBondContact O-CB 3.28Å; I724-H727 PolarHBondContact O-N 2.93Å; I724-H727 VanDerWaalsContact O-N 3.08Å
725	L	89.2	Confident	80.7	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-34.4	-173.9	-72.2	174.8	0	0	0	113.2	L670 F690 F693 V721 N722 H727 S728 F731 M743	L670-L725 HydrophobicContact CD2-CD2 3.92Å; F690-L725 HydrophobicContact CD1-CD2 3.59Å; F690-L725 HydrophobicContact CE1-CD2 4.08Å; F693-L725 HydrophobicContact CD1-CD2 3.93Å; F693-L725 HydrophobicContact CD1-CG 4.41Å; F693-L725 HydrophobicContact CE1-CD2 4.01Å; F693-L725 HydrophobicContact CE1-CG 4.15Å; V721-L725 HydrophobicContact CG1-CD1 4.11Å; V721-L725 HydrophobicContact CG2-CD1 4.41Å; V721-L725 WeakPolarHBondContact O-CG 3.27Å; V721-L725 PolarHBondContact O-N 3.3Å; N722-L725 PolarHBondContact O-N 3.39Å; L725-H727 PolarHBondContact O-N 2.91Å; L725-S728 PolarHBondContact O-N 2.97Å; L725-F731 HydrophobicContact CB-CD1 4.2Å; L725-F731 HydrophobicContact CB-CE1 4.26Å; L725-F731 HydrophobicContact CB-CG 4.33Å; L725-F731 HydrophobicContact CB-CZ 4.44Å; L725-F731 HydrophobicContact CD1-CD2 4.45Å; L725-F731 HydrophobicContact CD1-CE2 3.97Å; L725-F731 HydrophobicContact CD1-CZ 4.14Å; L725-F731 HydrophobicContact CD2-CD2 3.83Å; L725-F731 HydrophobicContact CD2-CE2 4.17Å; L725-F731 HydrophobicContact CD2-CG 4.2Å; L725-F731 HydrophobicContact CG-CE2 4.48Å; L725-M743 HydrophobicContact CB-CE 3.63Å
726	K	87.8	Confident	82.6	Confident	20 Å²	20	50 Å²	50	9%	0.087	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.3	178.6	74	-178.9	-174.3	174.2	0	113.2	N722 I724 P745 K748	N722-K726 WeakPolarHBondContact O-CB 3.03Å; N722-K726 WeakPolarHBondContact O-CG 3.05Å; N722-K726 PolarHBondContact O-N 3.18Å; I724-K726 VanDerWaalsContact C-N 3.28Å; I724-K726 PolarHBondContact O-N 3.49Å; K726-P745 HydrophobicContact CB-CG 4.31Å; K726-P745 HydrophobicContact CG-CG 4.49Å; K726-P745 WeakPolarHBondContact O-CD 3.46Å; K726-K748 PolarHBondContact O-NZ 2.84Å
727	H	91.3	Very high	83.8	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-18.6	178.1	-70.7	-94.5	0	0	0	113.4	Q649 I667 E723 I724 L725 C749 L750	Q649-H727 PolarHBondContact NE2-CE1 2.97Å; I667-H727 HydrophobicContact CD1-CB 4.26Å; I667-H727 HydrophobicContact CG1-CB 4.27Å; I667-H727 HydrophobicContact CG2-CB 3.71Å; E723-H727 PolarHBondContact O-CD2 2.9Å; I724-H727 WeakPolarHBondContact O-CB 3.28Å; I724-H727 PolarHBondContact O-N 2.93Å; I724-H727 VanDerWaalsContact O-N 3.08Å; L725-H727 PolarHBondContact O-N 2.91Å; H727-C749 PolarHBondContact ND1-N 3.12Å; H727-C749 PolarHBondContact ND1-O 3.4Å; H727-L750 HydrophobicContact CB-CD2 3.91Å; H727-L750 WeakPolarHBondContact O-CD2 3.4Å
728	S	90.7	Very high	84.7	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.028	21%	0.213	C	C	.	.			trans	-80.2	124.1	176.6	172.1	0	0	0	0	110.8	L725 E730 F731 S732 K748	L725-S728 PolarHBondContact O-N 2.97Å; S728-E730 VanDerWaalsContact C-N 3.33Å; S728-E730 PolarHBondContact OG-N 3.31Å; S728-E730 PolarHBondContact OG-OE2 3.21Å; S728-F731 PolarHBondContact OG-N 3.01Å; S728-S732 PolarHBondContact O-N 2.72Å; S728-S732 PolarHBondContact O-OG 3.24Å; S728-K748 PolarHBondContact O-NZ 3.46Å
729	Q	91.1	Very high	85.6	Confident	73 Å²	73	43.4 Å²	43.4	34%	0.341	23%	0.227	S	C	.	.	H	α-helix	trans	-73.8	-32.3	172	-175.7	58.3	51.3	0	0	110.8	S732 N733 K748	Q729-S732 WeakPolarHBondContact O-CB 3.4Å; Q729-S732 PolarHBondContact O-N 3.27Å; Q729-N733 PolarHBondContact NE2-OD1 2.75Å; Q729-N733 WeakPolarHBondContact O-CB 3.49Å; Q729-N733 PolarHBondContact O-N 3.05Å; Q729-N733 PolarHBondContact O-ND2 3.35Å; Q729-N733 PolarHBondContact O-OD1 3.1Å; Q729-K748 HydrophobicContact CB-CD 4.46Å
730	E	90.2	Very high	85.9	Confident	66 Å²	66	45.1 Å²	45.1	31%	0.308	25%	0.248	S	C	.	.	H	α-helix	trans	-63.8	-44.5	178.5	-57.6	79.3	-174.7	0	0	110.7	F674 F690 S728 N733 I734	F674-E730 HydrophobicContact CD1-CB 3.91Å; F674-E730 HydrophobicContact CD1-CG 3.85Å; F674-E730 HydrophobicContact CE1-CB 3.48Å; F674-E730 VanDerWaalsContact CE1-CB 3.48Å; F674-E730 HydrophobicContact CE1-CG 3.55Å; F674-E730 HydrophobicContact CZ-CB 4.01Å; F690-E730 HydrophobicContact CZ-CB 4.37Å; S728-E730 VanDerWaalsContact C-N 3.33Å; S728-E730 PolarHBondContact OG-N 3.31Å; S728-E730 PolarHBondContact OG-OE2 3.21Å; E730-N733 PolarHBondContact O-N 3.18Å; E730-I734 WeakPolarHBondContact O-CB 3.21Å; E730-I734 WeakPolarHBondContact O-CD1 3.5Å; E730-I734 VanDerWaalsContact O-CG1 3.29Å; E730-I734 WeakPolarHBondContact O-CG1 3.3Å; E730-I734 PolarHBondContact O-N 2.76Å
731	F	89.3	Confident	86.1	Confident	12 Å²	12	42.9 Å²	42.9	5%	0.053	23%	0.233	C	C	.	.	H	α-helix	trans	-55.4	-52.3	171.1	176.6	-98.3	0	0	0	111	F690 L725 S728 N733 I734 H735 M743	F690-F731 HydrophobicContact CB-CD2 4.11Å; F690-F731 HydrophobicContact CB-CE2 4.45Å; F690-F731 HydrophobicContact CD1-CB 4.29Å; F690-F731 AromaticContact CD1-CD2 3.84Å; F690-F731 HydrophobicContact CD1-CD2 3.84Å; F690-F731 HydrophobicContact CD2-CD2 4.26Å; F690-F731 HydrophobicContact CE1-CB 3.89Å; F690-F731 HydrophobicContact CE1-CD2 4.31Å; F690-F731 HydrophobicContact CE2-CB 4.29Å; F690-F731 AromaticContact CG-CD2 3.81Å; F690-F731 HydrophobicContact CG-CD2 3.81Å; F690-F731 HydrophobicContact CZ-CB 3.9Å; L725-F731 HydrophobicContact CB-CD1 4.2Å; L725-F731 HydrophobicContact CB-CE1 4.26Å; L725-F731 HydrophobicContact CB-CG 4.33Å; L725-F731 HydrophobicContact CB-CZ 4.44Å; L725-F731 HydrophobicContact CD1-CD2 4.45Å; L725-F731 HydrophobicContact CD1-CE2 3.97Å; L725-F731 HydrophobicContact CD1-CZ 4.14Å; L725-F731 HydrophobicContact CD2-CD2 3.83Å; L725-F731 HydrophobicContact CD2-CE2 4.17Å; L725-F731 HydrophobicContact CD2-CG 4.2Å; L725-F731 HydrophobicContact CG-CE2 4.48Å; S728-F731 PolarHBondContact OG-N 3.01Å; F731-N733 VanDerWaalsContact C-N 3.26Å; F731-N733 PolarHBondContact O-N 2.94Å; F731-I734 PolarHBondContact O-N 3.4Å; F731-H735 AromaticContact CD2-CD2 3.37Å; F731-H735 WeakPolarHBondContact CD2-CD2 3.2Å; F731-H735 AromaticContact CD2-NE2 3.78Å; F731-H735 AromaticContact CE2-CD2 3.28Å; F731-H735 WeakPolarHBondContact CE2-CD2 3.42Å; F731-H735 AromaticContact CE2-CG 3.94Å; F731-H735 AromaticContact CE2-NE2 3.52Å; F731-H735 AromaticContact CZ-CD2 3.92Å; F731-H735 WeakPolarHBondContact O-CB 3.43Å; F731-H735 PolarHBondContact O-CD2 2.9Å; F731-H735 PolarHBondContact O-N 3.42Å; F731-M743 HydrophobicContact CD1-CE 4.35Å; F731-M743 HydrophobicContact CE1-CB 4.24Å; F731-M743 HydrophobicContact CE1-CE 3.58Å; F731-M743 HydrophobicContact CZ-CE 4.11Å
732	S	87	Confident	86	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-54.4	-42.6	176.8	-61.4	0	0	0	0	112.3	S728 Q729 R736 C737 M743 N744 K748	S728-S732 PolarHBondContact O-N 2.72Å; S728-S732 PolarHBondContact O-OG 3.24Å; Q729-S732 WeakPolarHBondContact O-CB 3.4Å; Q729-S732 PolarHBondContact O-N 3.27Å; S732-R736 CarbonylContact O-C 3.08Å; S732-R736 VanDerWaalsContact O-CA 3.28Å; S732-R736 WeakPolarHBondContact O-CA 3.5Å; S732-R736 PolarHBondContact O-N 3.26Å; S732-C737 PolarHBondContact O-N 3.38Å; S732-M743 PolarHBondContact OG-O 3.36Å; S732-N744 VanDerWaalsContact CB-CG 3.48Å; S732-N744 WeakPolarHBondContact CB-OD1 3.38Å; S732-N744 VanDerWaalsContact OG-CB 3.32Å; S732-N744 WeakPolarHBondContact OG-CB 3.31Å; S732-N744 PolarHBondContact OG-OD1 3.5Å; S732-K748 PolarHBondContact OG-NZ 3.08Å; S732-K748 VanDerWaalsContact OG-NZ 3.16Å
733	N	86.1	Confident	86.1	Confident	104 Å²	104	47.4 Å²	47.4	56%	0.556	25%	0.25	S	S	*	.	H	α-helix	trans	-70.1	-43.9	-178.3	-68.4	-13.6	0	0	0	112	Q729 E730 F731 R736	Q729-N733 PolarHBondContact NE2-OD1 2.75Å; Q729-N733 WeakPolarHBondContact O-CB 3.49Å; Q729-N733 PolarHBondContact O-N 3.05Å; Q729-N733 PolarHBondContact O-ND2 3.35Å; Q729-N733 PolarHBondContact O-OD1 3.1Å; E730-N733 PolarHBondContact O-N 3.18Å; F731-N733 VanDerWaalsContact C-N 3.26Å; F731-N733 PolarHBondContact O-N 2.94Å; N733-R736 PolarHBondContact O-N 3.32Å
734	I	84.5	Confident	86.1	Confident	22 Å²	22	46.6 Å²	46.6	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-40.8	-178.9	-73.5	158.1	0	0	0	111.2	F674 L683 K686 K687 F690 E730 F731	F674-I734 HydrophobicContact CE2-CD1 3.98Å; F674-I734 HydrophobicContact CZ-CD1 3.7Å; L683-I734 HydrophobicContact CD1-CG1 4.29Å; L683-I734 HydrophobicContact CD1-CG2 4.32Å; K686-I734 HydrophobicContact CB-CD1 3.76Å; K686-I734 HydrophobicContact CB-CG1 4.42Å; K686-I734 HydrophobicContact CG-CD1 4.48Å; K687-I734 HydrophobicContact CB-CG2 4.43Å; K687-I734 HydrophobicContact CG-CG2 3.42Å; K687-I734 VanDerWaalsContact CG-CG2 3.42Å; F690-I734 HydrophobicContact CD2-CD1 4Å; F690-I734 HydrophobicContact CE2-CD1 3.55Å; E730-I734 WeakPolarHBondContact O-CB 3.21Å; E730-I734 WeakPolarHBondContact O-CD1 3.5Å; E730-I734 VanDerWaalsContact O-CG1 3.29Å; E730-I734 WeakPolarHBondContact O-CG1 3.3Å; E730-I734 PolarHBondContact O-N 2.76Å; F731-I734 PolarHBondContact O-N 3.4Å
735	H	82.6	Confident	86	Confident	61 Å²	61	48 Å²	48	28%	0.282	26%	0.257	S	S	.	.	H	α-helix	trans	-92	0.1	-180	-67.4	-85.9	0	0	0	113.4	F731 C737	F731-H735 AromaticContact CD2-CD2 3.37Å; F731-H735 WeakPolarHBondContact CD2-CD2 3.2Å; F731-H735 AromaticContact CD2-NE2 3.78Å; F731-H735 AromaticContact CE2-CD2 3.28Å; F731-H735 WeakPolarHBondContact CE2-CD2 3.42Å; F731-H735 AromaticContact CE2-CG 3.94Å; F731-H735 AromaticContact CE2-NE2 3.52Å; F731-H735 AromaticContact CZ-CD2 3.92Å; F731-H735 WeakPolarHBondContact O-CB 3.43Å; F731-H735 PolarHBondContact O-CD2 2.9Å; F731-H735 PolarHBondContact O-N 3.42Å; H735-C737 VanDerWaalsContact C-N 3.31Å; H735-C737 PolarHBondContact O-N 3.08Å
736	R	85.2	Confident	85.9	Confident	213 Å²	213	55.4 Å²	55.4	80%	0.804	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	42.1	178.4	-55.4	178.5	179.2	169.4	-0.6	113.2	S732 N733 S738	S732-R736 CarbonylContact O-C 3.08Å; S732-R736 VanDerWaalsContact O-CA 3.28Å; S732-R736 WeakPolarHBondContact O-CA 3.5Å; S732-R736 PolarHBondContact O-N 3.26Å; N733-R736 PolarHBondContact O-N 3.32Å; R736-S738 PolarHBondContact O-N 3.36Å
737	C	78.4	Confident	85.9	Confident	17 Å²	17	60.1 Å²	60.1	12%	0.115	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-66.8	125.3	176.4	-58.9	0	0	0	0	110.5	S732 H735 N744	S732-C737 PolarHBondContact O-N 3.38Å; H735-C737 VanDerWaalsContact C-N 3.31Å; H735-C737 PolarHBondContact O-N 3.08Å; C737-N744 HydrophobicContact CB-CB 3.65Å; C737-N744 PolarHBondContact O-ND2 3.47Å; C737-N744 VanDerWaalsContact O-ND2 3.07Å
738	S	81.8	Confident	85.8	Confident	79 Å²	79	62 Å²	62	55%	0.552	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-57.5	142.1	176.2	-59.7	0	0	0	0	111.4	R736 G740 S741 N744	R736-S738 PolarHBondContact O-N 3.36Å; S738-G740 PolarHBondContact O-N 3.39Å; S738-S741 VanDerWaalsContact O-CB 3.24Å; S738-S741 WeakPolarHBondContact O-CB 3.5Å; S738-S741 PolarHBondContact O-N 3.4Å; S738-S741 VanDerWaalsContact O-N 3.09Å; S738-S741 PolarHBondContact O-OG 3.48Å; S738-N744 WeakPolarHBondContact O-CB 3.33Å
739	S	86.9	Confident	85.7	Confident	100 Å²	100	62 Å²	62	70%	0.699	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	132.8	173.8	-165.9	0	0	0	0	110.5	S741	S739-S741 VanDerWaalsContact C-N 3.27Å; S739-S741 PolarHBondContact O-N 3.31Å
740	G	81.9	Confident	85.2	Confident	49 Å²	49	60 Å²	60	51%	0.505	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-2.4	-178.4	0	0	0	0	0	114.8	S738 N744	S738-G740 PolarHBondContact O-N 3.39Å; G740-N744 WeakPolarHBondContact CA-O 3.5Å; G740-N744 PolarHBondContact N-O 3.06Å
741	S	83	Confident	84.5	Confident	10 Å²	10	57.3 Å²	57.3	7%	0.07	31%	0.305	C	S	.	.	S	Bend	trans	-65.8	161.2	171.1	63.8	0	0	0	0	111.3	S738 S739 M743 N744 P745	S738-S741 VanDerWaalsContact O-CB 3.24Å; S738-S741 WeakPolarHBondContact O-CB 3.5Å; S738-S741 PolarHBondContact O-N 3.4Å; S738-S741 VanDerWaalsContact O-N 3.09Å; S738-S741 PolarHBondContact O-OG 3.48Å; S739-S741 VanDerWaalsContact C-N 3.27Å; S739-S741 PolarHBondContact O-N 3.31Å; S741-M743 PolarHBondContact O-N 2.92Å; S741-M743 VanDerWaalsContact O-N 3.1Å; S741-N744 CarbonylContact O-C 3.55Å; S741-N744 PolarHBondContact O-N 3.32Å; S741-N744 WeakPolarHBondContact OG-CB 3.47Å; S741-N744 PolarHBondContact OG-N 3.06Å; S741-P745 VanDerWaalsContact O-N 3.15Å
742	K	81.1	Confident	83.4	Confident	111 Å²	111	58.3 Å²	58.3	48%	0.483	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-34.8	179.2	-170.1	-176.5	179.8	-171.4	0	112.8	P135 D136	P135-K742 HydrophobicContact CB-CD 3.78Å; P135-K742 PolarHBondContact O-NZ 2.54Å; D136-K742 IonicContact OD1-NZ 2.92Å
743	M	84.9	Confident	81.9	Confident	16 Å²	16	60.2 Å²	60.2	8%	0.079	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.6	179.1	-64.8	-52.4	-62.7	0	0	114.1	N722 L725 F731 S732 S741	N722-M743 HydrophobicContact CB-CE 4.18Å; N722-M743 HydrophobicContact CB-SD 3.91Å; L725-M743 HydrophobicContact CB-CE 3.63Å; F731-M743 HydrophobicContact CD1-CE 4.35Å; F731-M743 HydrophobicContact CE1-CB 4.24Å; F731-M743 HydrophobicContact CE1-CE 3.58Å; F731-M743 HydrophobicContact CZ-CE 4.11Å; S732-M743 PolarHBondContact OG-O 3.36Å; S741-M743 PolarHBondContact O-N 2.92Å; S741-M743 VanDerWaalsContact O-N 3.1Å
744	N	87.1	Confident	79.8	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.08	33%	0.326	C	S	.	.	S	Bend	trans	-139.3	60.9	174	-168.8	30.1	0	0	0	110.6	S732 C737 S738 G740 S741 K748	S732-N744 VanDerWaalsContact CB-CG 3.48Å; S732-N744 WeakPolarHBondContact CB-OD1 3.38Å; S732-N744 VanDerWaalsContact OG-CB 3.32Å; S732-N744 WeakPolarHBondContact OG-CB 3.31Å; S732-N744 PolarHBondContact OG-OD1 3.5Å; C737-N744 HydrophobicContact CB-CB 3.65Å; C737-N744 PolarHBondContact O-ND2 3.47Å; C737-N744 VanDerWaalsContact O-ND2 3.07Å; S738-N744 WeakPolarHBondContact O-CB 3.33Å; G740-N744 WeakPolarHBondContact CA-O 3.5Å; G740-N744 PolarHBondContact N-O 3.06Å; S741-N744 CarbonylContact O-C 3.55Å; S741-N744 PolarHBondContact O-N 3.32Å; S741-N744 WeakPolarHBondContact OG-CB 3.47Å; S741-N744 PolarHBondContact OG-N 3.06Å; N744-K748 WeakPolarHBondContact OD1-CE 3.37Å; N744-K748 PolarHBondContact OD1-NZ 3.36Å
745	P	85.8	Confident	77.3	Confident	31 Å²	31	68.8 Å²	68.8	20%	0.201	39%	0.386	C	S	.	.			trans	-63.5	151.7	176.7	29.8	-35.9	0	0	0	110	K726 S741 N747	K726-P745 HydrophobicContact CB-CG 4.31Å; K726-P745 HydrophobicContact CG-CG 4.49Å; K726-P745 WeakPolarHBondContact O-CD 3.46Å; S741-P745 VanDerWaalsContact O-N 3.15Å; P745-N747 VanDerWaalsContact C-N 3.32Å; P745-N747 PolarHBondContact O-N 2.93Å
746	E	87.3	Confident	77	Confident	159 Å²	159	69.2 Å²	69.2	74%	0.743	39%	0.391	S	S	*	.	S	Bend	trans	-63.7	-39.7	178	-63.1	-176.4	167.2	0	0	111.5	K748	E746-K748 PolarHBondContact O-N 3.48Å
747	N	86.8	Confident	76.6	Confident	119 Å²	119	61.6 Å²	61.6	64%	0.636	37%	0.37	S	S	*	.			trans	-92	89.9	-178.6	-65	-16.7	0	0	0	111.4	Q649 P745	Q649-N747 PolarHBondContact NE2-O 3.45Å; Q649-N747 VanDerWaalsContact NE2-O 3.14Å; P745-N747 VanDerWaalsContact C-N 3.32Å; P745-N747 PolarHBondContact O-N 2.93Å
748	K	89.9	Confident	76.5	Confident	39 Å²	39	64.1 Å²	64.1	17%	0.17	38%	0.384	C	S	.	.			trans	-91.9	116.7	172.5	-67.6	174	-179.3	-83.8	0	110.3	K726 S728 Q729 S732 N744 E746 L750	K726-K748 PolarHBondContact O-NZ 2.84Å; S728-K748 PolarHBondContact O-NZ 3.46Å; Q729-K748 HydrophobicContact CB-CD 4.46Å; S732-K748 PolarHBondContact OG-NZ 3.08Å; S732-K748 VanDerWaalsContact OG-NZ 3.16Å; N744-K748 WeakPolarHBondContact OD1-CE 3.37Å; N744-K748 PolarHBondContact OD1-NZ 3.36Å; E746-K748 PolarHBondContact O-N 3.48Å; K748-L750 HydrophobicContact CB-CD1 4.48Å; K748-L750 HydrophobicContact CB-CG 4.37Å; K748-L750 PolarHBondContact O-N 3.12Å
749	C	88	Confident	76.2	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.02	37%	0.374	C	S	.	.			trans	-84.9	100.7	176.1	-52.9	0	0	0	0	111.2	Q642 C645 L646 Q649 H727	Q642-C749 HydrophobicContact CG-CB 4.14Å; Q642-C749 PolarHBondContact NE2-O 3.19Å; C645-C749 HydrophobicContact CB-CB 3.7Å; C645-C749 WeakPolarHBondContact CB-SG 3.26Å; C645-C749 PolarHBondContact O-SG 3.38Å; C645-C749 WeakPolarHBondContact SG-CA 3.43Å; C645-C749 WeakPolarHBondContact SG-CB 3.38Å; C645-C749 CovalentContact SG-SG 2.04Å; C645-C749 PolarHBondContact SG-SG 2.84Å; L646-C749 HydrophobicContact CD2-CB 3.78Å; L646-C749 HydrophobicContact CG-CB 3.95Å; L646-C749 PolarHBondContact N-SG 3.33Å; Q649-C749 PolarHBondContact NE2-SG 3.42Å; H727-C749 PolarHBondContact ND1-N 3.12Å; H727-C749 PolarHBondContact ND1-O 3.4Å
750	L	82.3	Confident	75.5	Confident	33 Å²	33	60.9 Å²	60.9	17%	0.173	35%	0.354	C	S	.	.			trans	-122.5	138.8	-178.3	-61	179.2	0	0	0	109.9	I667 M671 H727 K748	I667-L750 HydrophobicContact CG2-CD2 3.6Å; M671-L750 HydrophobicContact CE-CD1 3.61Å; M671-L750 HydrophobicContact CE-CD2 4.13Å; M671-L750 HydrophobicContact CE-CG 4.37Å; M671-L750 HydrophobicContact SD-CB 4.36Å; M671-L750 HydrophobicContact SD-CD1 3.86Å; M671-L750 HydrophobicContact SD-CD2 3.19Å; M671-L750 WeakPolarHBondContact SD-CD2 3.05Å; M671-L750 HydrophobicContact SD-CG 3.96Å; H727-L750 HydrophobicContact CB-CD2 3.91Å; H727-L750 WeakPolarHBondContact O-CD2 3.4Å; K748-L750 HydrophobicContact CB-CD1 4.48Å; K748-L750 HydrophobicContact CB-CG 4.37Å; K748-L750 PolarHBondContact O-N 3.12Å
751	L	75.1	Confident	75.1	Confident	9 Å²	9	61.7 Å²	61.7	5%	0.047	34%	0.344	C	S	.	.	S	Bend	trans	-77.9	152.2	158.3	-76.1	165.4	0	0	0	107.5	M612 N616 D638 Q642 N668 S753	M612-L751 HydrophobicContact CE-CD1 4.48Å; N616-L751 WeakPolarHBondContact ND2-CD1 3.32Å; D638-L751 VanDerWaalsContact C-CD2 3.47Å; D638-L751 HydrophobicContact CB-CD2 3.91Å; D638-L751 VanDerWaalsContact O-CD2 3.25Å; D638-L751 WeakPolarHBondContact O-CD2 3.35Å; Q642-L751 HydrophobicContact CB-CD2 3.99Å; Q642-L751 HydrophobicContact CB-CG 3.92Å; Q642-L751 HydrophobicContact CG-CG 4.26Å; Q642-L751 VanDerWaalsContact OE1-CD1 3.22Å; N668-L751 WeakPolarHBondContact ND2-CD1 3.31Å; N668-L751 WeakPolarHBondContact OD1-CB 3.43Å; N668-L751 PolarHBondContact OD1-N 2.85Å; L751-S753 PolarHBondContact O-N 3.08Å
752	W	65.3	Low	74.5	Confident	32 Å²	32	65.4 Å²	65.4	12%	0.121	36%	0.363	C	S	.	.	S	Bend	trans	65.2	20.5	158.5	-61.4	-9.3	0	0	0	114.7	L478 L482 M485 M612 V615 N616	L478-W752 HydrophobicContact CD1-CE3 3.52Å; L478-W752 HydrophobicContact CD1-CH2 3.83Å; L478-W752 HydrophobicContact CD1-CZ3 3.04Å; L478-W752 HydrophobicContact CD2-CZ3 4.25Å; L478-W752 HydrophobicContact CG-CZ3 4.27Å; L482-W752 HydrophobicContact CD2-CD2 4.17Å; L482-W752 HydrophobicContact CD2-CZ2 4.29Å; M485-W752 HydrophobicContact CE-CB 3.07Å; M485-W752 HydrophobicContact CE-CD2 4.14Å; M485-W752 HydrophobicContact CE-CG 3.33Å; M485-W752 HydrophobicContact SD-CB 4.08Å; M485-W752 HydrophobicContact SD-CG 4.06Å; M612-W752 HydrophobicContact CE-CD2 4.07Å; M612-W752 HydrophobicContact CE-CE3 3.4Å; M612-W752 VanDerWaalsContact CE-CE3 3.4Å; M612-W752 HydrophobicContact CE-CH2 3.28Å; M612-W752 HydrophobicContact CE-CZ2 3.98Å; M612-W752 HydrophobicContact CE-CZ3 2.96Å; M612-W752 HydrophobicContact SD-CE3 3.69Å; M612-W752 HydrophobicContact SD-CH2 3.86Å; M612-W752 HydrophobicContact SD-CZ3 3.09Å; M612-W752 WeakPolarHBondContact SD-CZ3 3.29Å; V615-W752 HydrophobicContact CB-CH2 4.3Å; V615-W752 HydrophobicContact CG1-CH2 3.74Å; V615-W752 HydrophobicContact CG1-CZ2 4.08Å; N616-W752 WeakPolarHBondContact OD1-CZ2 3.29Å
753	S	55.5	Low	74	Confident	43 Å²	43	61.9 Å²	61.9	30%	0.301	35%	0.354	S	S	.	.			trans	-91.5	151.1	165.7	60	0	0	0	0	110.7	L751	L751-S753 PolarHBondContact O-N 3.08Å
754	E	42.2	Very low	73.1	Confident	139 Å²	139	65.8 Å²	65.8	65%	0.65	38%	0.377	S	S	*	.			trans	-65.8	136.2	159.6	-68.7	-177.3	169.9	0	0	107.8
755	A	31.5	Very low	71.8	Confident	167 Å²	167	70.4 Å²	70.4	100%	1.38	40%	0.404	S	S	*	.			trans	-60.1	0	-174.1	0	0	0	0	0	113.7

Retrieved 755 of 755 residues in 386.6 ms (Link to these results)

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