A0A3Q0KSK9_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSK9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 753 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	34.1	Very low	233 Å²	233	146.5 Å²	146.5	100%	1.148	79%	0.786	S	S	*	*				0	135.2	0	-78.2	-55	172	0	0	108.2
2	P	40.1	Very low	33.7	Very low	102 Å²	102	141 Å²	141	66%	0.662	76%	0.756	S	S	*	*				-140.4	-174.8	-88.7	40.5	-25.7	0	0	0	116.1
3	S	35	Very low	33.9	Very low	102 Å²	102	139.2 Å²	139.2	71%	0.713	76%	0.757	S	S	*	*			trans	83.2	143.1	153.7	-56	0	0	0	0	117.8
4	T	36.6	Very low	33.8	Very low	116 Å²	116	142.9 Å²	142.9	71%	0.712	75%	0.754	S	S	*	*			cis	-159.5	141.1	-14.8	19	0	0	0	0	106.7
5	Q	33.2	Very low	33.4	Very low	160 Å²	160	148 Å²	148	75%	0.748	76%	0.761	S	S	*	*				44.6	137.3	86.4	-70.7	-163.1	3.1	0	0	114.5
6	N	30.4	Very low	33.1	Very low	131 Å²	131	145.2 Å²	145.2	70%	0.701	76%	0.757	S	S	*	*			cis	-153.4	178.4	4.9	-99.3	-21.8	0	0	0	107.9
7	T	33.7	Very low	32.7	Very low	117 Å²	117	150.5 Å²	150.5	72%	0.718	77%	0.765	S	S	*	*			cis	-138.7	179.5	18.2	63.4	0	0	0	0	111.3
8	V	33.7	Very low	32.7	Very low	138 Å²	138	149.9 Å²	149.9	84%	0.836	76%	0.759	S	S	*	*			trans	-116.3	126.2	149.1	170.9	0	0	0	0	107	E10	V8-E10 PolarHBondContact O-N 3.26Å
9	S	33.6	Very low	32.6	Very low	98 Å²	98	155 Å²	155	69%	0.685	77%	0.768	S	S	*	*			trans	-89.8	90.3	-179	-164.2	0	0	0	0	110.8	R11	S9-R11 PolarHBondContact O-N 2.97Å
10	E	30.6	Very low	32.5	Very low	178 Å²	178	154.2 Å²	154.2	83%	0.832	76%	0.76	S	S	*	*			trans	-65.2	91.9	178.1	-172	178.7	168.8	0	0	111	V8 D12	V8-E10 PolarHBondContact O-N 3.26Å; E10-D12 VanDerWaalsContact C-N 3.33Å; E10-D12 PolarHBondContact O-N 2.94Å
11	R	33.4	Very low	32.6	Very low	237 Å²	237	152.4 Å²	152.4	89%	0.894	76%	0.761	S	S	*	*			trans	-77.1	85.8	177.5	-88.4	-167.8	-84.7	-179.3	-7	111.7	S9	S9-R11 PolarHBondContact O-N 2.97Å
12	D	29	Very low	32.8	Very low	80 Å²	80	147.1 Å²	147.1	43%	0.428	73%	0.734	S	S	.	*			trans	-8.7	115.1	163.5	-162.3	-28.5	0	0	0	115.8	E10 R14	E10-D12 VanDerWaalsContact C-N 3.33Å; E10-D12 PolarHBondContact O-N 2.94Å; D12-R14 VanDerWaalsContact CG-NE 3.34Å; D12-R14 PolarHBondContact O-N 3.32Å; D12-R14 WeakPolarHBondContact OD1-CB 3.32Å; D12-R14 VanDerWaalsContact OD1-CG 3.25Å; D12-R14 WeakPolarHBondContact OD1-CG 3.19Å; D12-R14 IonicContact OD1-CZ 3.7Å; D12-R14 PolarHBondContact OD1-N 3.42Å; D12-R14 IonicContact OD1-NE 3.68Å; D12-R14 PolarHBondContact OD1-NE 2.89Å; D12-R14 IonicContact OD1-NH2 2.85Å; D12-R14 IonicContact OD2-CZ 3.99Å; D12-R14 VanDerWaalsContact OD2-CZ 3.29Å; D12-R14 IonicContact OD2-NE 2.96Å; D12-R14 PolarHBondContact OD2-NE 2.68Å; D12-R14 VanDerWaalsContact OD2-NE 3.11Å; D12-R14 IonicContact OD2-NH2 2.68Å; D12-R14 PolarHBondContact OD2-NH2 3.47Å
13	P	37.5	Very low	33.4	Very low	117 Å²	117	145.8 Å²	145.8	76%	0.76	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-72.1	4.2	-173.7	30.8	-37.1	0	0	0	114.8	Y15	P13-Y15 PolarHBondContact O-N 3.11Å
14	R	31.2	Very low	34.7	Very low	191 Å²	191	143.1 Å²	143.1	72%	0.721	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-78.7	-9.1	-169.5	-72.4	179.9	-80.1	-158.8	-2	116	D12	D12-R14 VanDerWaalsContact CG-NE 3.34Å; D12-R14 PolarHBondContact O-N 3.32Å; D12-R14 WeakPolarHBondContact OD1-CB 3.32Å; D12-R14 VanDerWaalsContact OD1-CG 3.25Å; D12-R14 WeakPolarHBondContact OD1-CG 3.19Å; D12-R14 IonicContact OD1-CZ 3.7Å; D12-R14 PolarHBondContact OD1-N 3.42Å; D12-R14 IonicContact OD1-NE 3.68Å; D12-R14 PolarHBondContact OD1-NE 2.89Å; D12-R14 IonicContact OD1-NH2 2.85Å; D12-R14 IonicContact OD2-CZ 3.99Å; D12-R14 VanDerWaalsContact OD2-CZ 3.29Å; D12-R14 IonicContact OD2-NE 2.96Å; D12-R14 PolarHBondContact OD2-NE 2.68Å; D12-R14 VanDerWaalsContact OD2-NE 3.11Å; D12-R14 IonicContact OD2-NH2 2.68Å; D12-R14 PolarHBondContact OD2-NH2 3.47Å
15	Y	28.1	Very low	36	Very low	220 Å²	220	138.3 Å²	138.3	86%	0.863	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-131.4	50.8	-176.3	-83.2	-90	0	0	0	115.7	P13	P13-Y15 PolarHBondContact O-N 3.11Å
16	C	28.6	Very low	37.6	Very low	103 Å²	103	132.6 Å²	132.6	70%	0.696	66%	0.66	S	S	*	*			trans	-104.9	86	164.6	-86.4	0	0	0	0	112.7	Q18	C16-Q18 HydrophobicContact CB-CG 4.42Å; C16-Q18 PolarHBondContact O-N 3.38Å
17	R	26.6	Very low	39.5	Very low	236 Å²	236	130.7 Å²	130.7	89%	0.891	65%	0.646	S	S	*	*			trans	-76.6	56.4	163.2	-74.4	-172.3	175.1	-123.2	1.6	111.4	W19	R17-W19 PolarHBondContact O-N 2.61Å
18	Q	32.4	Very low	41.3	Very low	140 Å²	140	125.3 Å²	125.3	65%	0.654	61%	0.613	S	S	*	*			trans	-60.8	129.5	168.7	-75.1	178.8	-24.4	0	0	109.2	C16 K20	C16-Q18 HydrophobicContact CB-CG 4.42Å; C16-Q18 PolarHBondContact O-N 3.38Å; Q18-K20 PolarHBondContact O-N 2.97Å
19	W	31	Very low	43.3	Very low	246 Å²	246	119.4 Å²	119.4	93%	0.932	58%	0.576	S	S	*	*			trans	-71.3	78.2	172.1	-76.9	85.4	0	0	0	109.6	R17 C21	R17-W19 PolarHBondContact O-N 2.61Å; W19-C21 PolarHBondContact O-N 3.03Å
20	K	30.1	Very low	45.2	Very low	138 Å²	138	121.9 Å²	121.9	60%	0.6	57%	0.571	S	S	*	*			trans	-59.8	100.3	179.6	-78.6	-177.6	164.2	-157.2	0	110.5	Q18 Q22	Q18-K20 PolarHBondContact O-N 2.97Å; K20-Q22 HydrophobicContact CB-CB 4.1Å; K20-Q22 HydrophobicContact CB-CG 4.12Å; K20-Q22 HydrophobicContact CD-CG 4.22Å; K20-Q22 VanDerWaalsContact CD-OE1 3.28Å; K20-Q22 HydrophobicContact CG-CG 4.13Å; K20-Q22 PolarHBondContact O-N 3.29Å
21	C	35.2	Very low	47.4	Very low	118 Å²	118	118.2 Å²	118.2	80%	0.797	55%	0.549	S	S	*	.			trans	-73.7	36.5	151.6	-150.1	0	0	0	0	110.8	W19 V23	W19-C21 PolarHBondContact O-N 3.03Å; C21-V23 PolarHBondContact O-N 3.45Å
22	Q	39.3	Very low	49.5	Very low	122 Å²	122	107 Å²	107	57%	0.57	51%	0.507	S	S	*	.			trans	-76.6	80.5	165.1	-69.8	-168.8	-31	0	0	107.4	K20 S24	K20-Q22 HydrophobicContact CB-CB 4.1Å; K20-Q22 HydrophobicContact CB-CG 4.12Å; K20-Q22 HydrophobicContact CD-CG 4.22Å; K20-Q22 VanDerWaalsContact CD-OE1 3.28Å; K20-Q22 HydrophobicContact CG-CG 4.13Å; K20-Q22 PolarHBondContact O-N 3.29Å; Q22-S24 PolarHBondContact O-N 3.24Å; Q22-S24 VanDerWaalsContact O-N 3.08Å
23	V	53.3	Low	51.7	Low	73 Å²	73	104 Å²	104	44%	0.442	49%	0.491	S	S	.	.			trans	-61.2	101.9	138	176.8	0	0	0	0	103.8	C21 E27 L28	C21-V23 PolarHBondContact O-N 3.45Å; V23-E27 HydrophobicContact CG1-CB 4.02Å; V23-L28 HydrophobicContact CG1-CB 4.47Å
24	S	60.6	Low	53.7	Low	46 Å²	46	102.5 Å²	102.5	32%	0.322	49%	0.488	S	S	.	.			trans	-59.8	151	-177.6	62.4	0	0	0	0	109.3	Q22 G26 E27 L28	Q22-S24 PolarHBondContact O-N 3.24Å; Q22-S24 VanDerWaalsContact O-N 3.08Å; S24-G26 PolarHBondContact O-N 2.99Å; S24-G26 VanDerWaalsContact O-N 3.11Å; S24-E27 WeakPolarHBondContact CB-OE2 3.34Å; S24-E27 PolarHBondContact N-OE2 3.26Å; S24-E27 WeakPolarHBondContact O-CA 3.42Å; S24-E27 WeakPolarHBondContact O-CB 3.28Å; S24-E27 PolarHBondContact O-N 2.77Å; S24-E27 VanDerWaalsContact OG-CG 3.31Å; S24-E27 WeakPolarHBondContact OG-CG 3.27Å; S24-E27 PolarHBondContact OG-N 2.78Å; S24-E27 PolarHBondContact OG-OE2 3.32Å; S24-L28 PolarHBondContact O-N 2.8Å
25	V	63.9	Low	56	Low	15 Å²	15	98.7 Å²	98.7	9%	0.091	48%	0.477	C	S	.	.	H	α-helix	trans	-61.1	-26.4	179.1	168.4	0	0	0	0	111.1	Y29 Y77 E84	V25-Y29 HydrophobicContact CG1-CD2 3.82Å; V25-Y29 HydrophobicContact CG1-CE1 4.4Å; V25-Y29 HydrophobicContact CG1-CE2 3.13Å; V25-Y29 VanDerWaalsContact CG1-CZ 3.46Å; V25-Y29 WeakPolarHBondContact O-CD2 3.37Å; V25-Y29 VanDerWaalsContact O-CG 3.24Å; V25-Y29 PolarHBondContact O-N 3.32Å; V25-Y77 HydrophobicContact CG1-CE2 4.4Å; V25-E84 HydrophobicContact CB-CG 3.81Å; V25-E84 WeakPolarHBondContact CB-OE1 3.47Å; V25-E84 HydrophobicContact CG1-CG 4.14Å; V25-E84 HydrophobicContact CG2-CB 3.94Å; V25-E84 HydrophobicContact CG2-CG 3.71Å; V25-E84 WeakPolarHBondContact CG2-OE1 3.3Å
26	G	68.2	Low	58.6	Low	41 Å²	41	88.9 Å²	88.9	42%	0.423	44%	0.439	S	S	.	.	H	α-helix	trans	-63.8	-38.5	167	0	0	0	0	0	114.8	S24 R30	S24-G26 PolarHBondContact O-N 2.99Å; S24-G26 VanDerWaalsContact O-N 3.11Å; G26-R30 WeakPolarHBondContact O-CB 3.25Å; G26-R30 PolarHBondContact O-N 3.42Å
27	E	68.8	Low	61.2	Low	90 Å²	90	86.3 Å²	86.3	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-73	-37.4	174.2	-74.3	163.6	114.7	0	0	112.7	V23 S24 Y29 R30 W31	V23-E27 HydrophobicContact CG1-CB 4.02Å; S24-E27 WeakPolarHBondContact CB-OE2 3.34Å; S24-E27 PolarHBondContact N-OE2 3.26Å; S24-E27 WeakPolarHBondContact O-CA 3.42Å; S24-E27 WeakPolarHBondContact O-CB 3.28Å; S24-E27 PolarHBondContact O-N 2.77Å; S24-E27 VanDerWaalsContact OG-CG 3.31Å; S24-E27 WeakPolarHBondContact OG-CG 3.27Å; S24-E27 PolarHBondContact OG-N 2.78Å; S24-E27 PolarHBondContact OG-OE2 3.32Å; E27-Y29 VanDerWaalsContact C-N 3.33Å; E27-R30 PolarHBondContact O-N 2.93Å; E27-W31 WeakPolarHBondContact O-CB 3.27Å; E27-W31 PolarHBondContact O-N 3.37Å
28	L	72.1	Confident	63.6	Low	5 Å²	5	79.5 Å²	79.5	3%	0.026	40%	0.404	C	S	.	.	H	α-helix	trans	-56.6	-49	169.7	172.3	58.4	0	0	0	110.3	V23 S24 R30 W31 I32 I109 L110	V23-L28 HydrophobicContact CG1-CB 4.47Å; S24-L28 PolarHBondContact O-N 2.8Å; L28-R30 PolarHBondContact O-N 3.32Å; L28-W31 PolarHBondContact O-N 3.43Å; L28-I32 HydrophobicContact CD1-CD1 3.82Å; L28-I32 HydrophobicContact CD1-CG1 4.36Å; L28-I32 HydrophobicContact CG-CD1 3.95Å; L28-I32 WeakPolarHBondContact O-CD1 3.47Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.29Å; L28-I32 PolarHBondContact O-N 2.83Å; L28-I109 HydrophobicContact CD1-CB 4.25Å; L28-I109 HydrophobicContact CD1-CD1 3.72Å; L28-I109 HydrophobicContact CD1-CG2 4.07Å; L28-I109 HydrophobicContact CD2-CG2 4.21Å; L28-L110 HydrophobicContact CD2-CD2 4.01Å
29	Y	76	Confident	66	Low	13 Å²	13	80.6 Å²	80.6	5%	0.051	41%	0.406	C	S	.	.	H	α-helix	trans	-65.9	-36.5	176.2	-62	-34.3	0	0	0	112.7	V25 E27 I32 L33 Y77 I82 D83 H87 M90 F106	V25-Y29 HydrophobicContact CG1-CD2 3.82Å; V25-Y29 HydrophobicContact CG1-CE1 4.4Å; V25-Y29 HydrophobicContact CG1-CE2 3.13Å; V25-Y29 VanDerWaalsContact CG1-CZ 3.46Å; V25-Y29 WeakPolarHBondContact O-CD2 3.37Å; V25-Y29 VanDerWaalsContact O-CG 3.24Å; V25-Y29 PolarHBondContact O-N 3.32Å; E27-Y29 VanDerWaalsContact C-N 3.33Å; Y29-I32 HydrophobicContact CD1-CD1 4.11Å; Y29-I32 PolarHBondContact O-N 3.24Å; Y29-L33 WeakPolarHBondContact O-CG 3.2Å; Y29-L33 PolarHBondContact O-N 2.88Å; Y29-Y77 HydrophobicContact CD2-CD2 4.36Å; Y29-Y77 HydrophobicContact CE2-CD2 4.16Å; Y29-I82 HydrophobicContact CD1-CG2 4.5Å; Y29-I82 HydrophobicContact CD2-CG2 4.11Å; Y29-I82 HydrophobicContact CE1-CG2 3.82Å; Y29-I82 HydrophobicContact CE2-CG2 3.35Å; Y29-I82 VanDerWaalsContact OH-CG2 3.3Å; Y29-I82 WeakPolarHBondContact OH-CG2 2.96Å; Y29-D83 PolarHBondContact OH-O 3.38Å; Y29-H87 PolarHBondContact OH-ND1 3.04Å; Y29-M90 HydrophobicContact CD1-CE 3.4Å; Y29-M90 HydrophobicContact CD1-CG 4.47Å; Y29-M90 HydrophobicContact CE1-CB 4.3Å; Y29-M90 HydrophobicContact CE1-CE 3.86Å; Y29-M90 HydrophobicContact CE1-CG 4.12Å; Y29-M90 HydrophobicContact CG-CE 4.08Å; Y29-F106 HydrophobicContact CE1-CE2 4.19Å
30	R	73.9	Confident	68.5	Low	151 Å²	151	69.7 Å²	69.7	57%	0.57	37%	0.367	S	S	*	.	H	α-helix	trans	-63.1	-41	173.3	-168	172.8	70.2	112.8	-1	112.5	G26 E27 L28 L33 A34 E70	G26-R30 WeakPolarHBondContact O-CB 3.25Å; G26-R30 PolarHBondContact O-N 3.42Å; E27-R30 PolarHBondContact O-N 2.93Å; L28-R30 PolarHBondContact O-N 3.32Å; R30-L33 PolarHBondContact O-N 3.4Å; R30-A34 PolarHBondContact O-N 3.47Å; R30-E70 WeakPolarHBondContact CG-OE1 3.2Å
31	W	75.5	Confident	70.9	Confident	100 Å²	100	63.3 Å²	63.3	38%	0.379	34%	0.339	S	S	.	.	H	α-helix	trans	-65.1	-42.9	175.7	-173.7	96.5	0	0	0	111.8	E27 L28 L33 A34 K35 Y105	E27-W31 WeakPolarHBondContact O-CB 3.27Å; E27-W31 PolarHBondContact O-N 3.37Å; L28-W31 PolarHBondContact O-N 3.43Å; W31-L33 VanDerWaalsContact C-N 3.34Å; W31-L33 PolarHBondContact O-N 2.93Å; W31-A34 PolarHBondContact O-N 3.46Å; W31-K35 HydrophobicContact CD2-CG 4.43Å; W31-K35 HydrophobicContact CE3-CG 4.18Å; W31-K35 HydrophobicContact CH2-CG 4.13Å; W31-K35 HydrophobicContact CZ2-CG 4.38Å; W31-K35 HydrophobicContact CZ3-CG 4.02Å; W31-K35 PolarHBondContact O-N 2.87Å; W31-Y105 AromaticContact CH2-CD1 3.88Å; W31-Y105 HydrophobicContact CH2-CD1 3.88Å; W31-Y105 HydrophobicContact CH2-CD2 4.03Å; W31-Y105 HydrophobicContact CH2-CE1 4.41Å; W31-Y105 AromaticContact CH2-CG 3.67Å; W31-Y105 HydrophobicContact CH2-CG 3.67Å; W31-Y105 HydrophobicContact CZ3-CD2 4.44Å; W31-Y105 HydrophobicContact CZ3-CG 4.09Å
32	I	77.4	Confident	72.9	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-44.2	174.8	-71.9	161.4	0	0	0	110.8	L28 Y29 A34 K35 L36 M90 L94 V102 F106	L28-I32 HydrophobicContact CD1-CD1 3.82Å; L28-I32 HydrophobicContact CD1-CG1 4.36Å; L28-I32 HydrophobicContact CG-CD1 3.95Å; L28-I32 WeakPolarHBondContact O-CD1 3.47Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.29Å; L28-I32 PolarHBondContact O-N 2.83Å; Y29-I32 HydrophobicContact CD1-CD1 4.11Å; Y29-I32 PolarHBondContact O-N 3.24Å; I32-A34 VanDerWaalsContact C-N 3.33Å; I32-A34 PolarHBondContact O-N 2.89Å; I32-K35 WeakPolarHBondContact O-CB 3.34Å; I32-K35 PolarHBondContact O-N 3.1Å; I32-L36 HydrophobicContact CG2-CD1 4.09Å; I32-L36 WeakPolarHBondContact O-CG 3.45Å; I32-L36 PolarHBondContact O-N 3.26Å; I32-M90 HydrophobicContact CG2-CE 4.26Å; I32-M90 HydrophobicContact CG2-SD 4.44Å; I32-L94 HydrophobicContact CG2-CD2 4.11Å; I32-V102 HydrophobicContact CG1-CG1 4.09Å; I32-V102 HydrophobicContact CG2-CG1 4.22Å; I32-F106 HydrophobicContact CD1-CD2 3.73Å; I32-F106 HydrophobicContact CD1-CE2 4.16Å
33	L	77.1	Confident	75	Confident	17 Å²	17	63.1 Å²	63.1	9%	0.089	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-36.9	177.8	-69	166.6	0	0	0	112.3	Y29 R30 W31 K35 L36 I41 E70 F73	Y29-L33 WeakPolarHBondContact O-CG 3.2Å; Y29-L33 PolarHBondContact O-N 2.88Å; R30-L33 PolarHBondContact O-N 3.4Å; W31-L33 VanDerWaalsContact C-N 3.34Å; W31-L33 PolarHBondContact O-N 2.93Å; L33-K35 PolarHBondContact O-N 3.12Å; L33-K35 VanDerWaalsContact O-N 3.16Å; L33-L36 PolarHBondContact O-N 3.2Å; L33-I41 HydrophobicContact CD2-CD1 4.01Å; L33-I41 HydrophobicContact CD2-CG1 4.12Å; L33-E70 HydrophobicContact CD1-CG 4.35Å; L33-F73 HydrophobicContact CD1-CB 4.01Å; L33-F73 HydrophobicContact CD1-CD2 4.28Å; L33-F73 HydrophobicContact CD1-CG 4.19Å; L33-F73 HydrophobicContact CD2-CD2 3.43Å; L33-F73 VanDerWaalsContact CD2-CD2 3.43Å; L33-F73 HydrophobicContact CD2-CE2 3.58Å; L33-F73 HydrophobicContact CD2-CG 3.93Å; L33-F73 HydrophobicContact CD2-CZ 4.18Å; L33-F73 HydrophobicContact CG-CD2 4.43Å
34	A	79.2	Confident	76.3	Confident	86 Å²	86	59.7 Å²	59.7	71%	0.711	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-6.5	172.2	0	0	0	0	0	114.4	R30 W31 I32	R30-A34 PolarHBondContact O-N 3.47Å; W31-A34 PolarHBondContact O-N 3.46Å; I32-A34 VanDerWaalsContact C-N 3.33Å; I32-A34 PolarHBondContact O-N 2.89Å
35	K	78.3	Confident	77.2	Confident	110 Å²	110	57.7 Å²	57.7	48%	0.478	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-12.2	173.2	-64.2	-65.2	-174.6	176.8	0	113.8	W31 I32 L33 R99	W31-K35 HydrophobicContact CD2-CG 4.43Å; W31-K35 HydrophobicContact CE3-CG 4.18Å; W31-K35 HydrophobicContact CH2-CG 4.13Å; W31-K35 HydrophobicContact CZ2-CG 4.38Å; W31-K35 HydrophobicContact CZ3-CG 4.02Å; W31-K35 PolarHBondContact O-N 2.87Å; I32-K35 WeakPolarHBondContact O-CB 3.34Å; I32-K35 PolarHBondContact O-N 3.1Å; L33-K35 PolarHBondContact O-N 3.12Å; L33-K35 VanDerWaalsContact O-N 3.16Å; K35-R99 PolarHBondContact O-NH1 2.88Å; K35-R99 PolarHBondContact O-NH2 3.47Å
36	L	82.4	Confident	77.9	Confident	14 Å²	14	62.4 Å²	62.4	7%	0.073	30%	0.304	C	S	.	.	S	Bend	trans	-94.6	147.2	177.4	-65.6	174.3	0	0	0	110.5	I32 L33 D40 I41 L94 I97 R99	I32-L36 HydrophobicContact CG2-CD1 4.09Å; I32-L36 WeakPolarHBondContact O-CG 3.45Å; I32-L36 PolarHBondContact O-N 3.26Å; L33-L36 PolarHBondContact O-N 3.2Å; L36-D40 HydrophobicContact CB-CB 4.35Å; L36-D40 HydrophobicContact CD2-CB 4.46Å; L36-I41 HydrophobicContact CB-CD1 3.95Å; L36-I41 HydrophobicContact CB-CG1 3.71Å; L36-I41 HydrophobicContact CD1-CG1 4.28Å; L36-L94 HydrophobicContact CD1-CD2 4.13Å; L36-L94 HydrophobicContact CD2-CD2 4.03Å; L36-I97 HydrophobicContact CD1-CD1 4.28Å; L36-I97 HydrophobicContact CD2-CD1 4.34Å; L36-R99 HydrophobicContact CD2-CB 3.96Å; L36-R99 HydrophobicContact CD2-CG 3.73Å
37	S	83.3	Confident	78.5	Confident	49 Å²	49	65.6 Å²	65.6	34%	0.343	31%	0.306	S	S	.	.			trans	-81.3	158.8	173.8	72.4	0	0	0	0	111.6	K39 D40 I41	S37-K39 PolarHBondContact O-N 3.45Å; S37-K39 VanDerWaalsContact O-N 3.12Å; S37-D40 WeakPolarHBondContact CB-OD2 3.25Å; S37-D40 PolarHBondContact N-OD2 2.68Å; S37-D40 VanDerWaalsContact N-OD2 3.1Å; S37-D40 WeakPolarHBondContact O-CA 3.24Å; S37-D40 VanDerWaalsContact O-CB 3.32Å; S37-D40 WeakPolarHBondContact O-CB 3.35Å; S37-D40 PolarHBondContact O-N 3.23Å; S37-D40 PolarHBondContact OG-N 3.3Å; S37-D40 PolarHBondContact OG-OD1 2.82Å; S37-D40 PolarHBondContact OG-OD2 2.77Å; S37-I41 WeakPolarHBondContact O-CG1 3.16Å; S37-I41 PolarHBondContact O-N 2.7Å
38	D	77.7	Confident	78.9	Confident	94 Å²	94	63.1 Å²	63.1	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-55.5	-32.4	173.5	-68.2	-51.3	0	0	0	112.8	K42	D38-K42 VanDerWaalsContact O-CB 3.26Å; D38-K42 WeakPolarHBondContact O-CB 3.45Å; D38-K42 VanDerWaalsContact O-CD 3.26Å; D38-K42 WeakPolarHBondContact O-CD 3.41Å; D38-K42 WeakPolarHBondContact O-CG 3.25Å; D38-K42 PolarHBondContact O-N 3.25Å
39	K	82.2	Confident	79.1	Confident	162 Å²	162	68.5 Å²	68.5	70%	0.704	31%	0.314	S	S	*	.	H	α-helix	trans	-67.5	-41.8	176.4	-65.1	178.7	-179.9	176.4	0	110.9	S37 R43	S37-K39 PolarHBondContact O-N 3.45Å; S37-K39 VanDerWaalsContact O-N 3.12Å; K39-R43 WeakPolarHBondContact O-CB 3.38Å; K39-R43 WeakPolarHBondContact O-CD 3.31Å; K39-R43 VanDerWaalsContact O-CG 3.23Å; K39-R43 WeakPolarHBondContact O-CG 3.36Å; K39-R43 PolarHBondContact O-N 3.4Å
40	D	85.3	Confident	79	Confident	18 Å²	18	73.3 Å²	73.3	10%	0.096	34%	0.34	C	S	.	.	H	α-helix	trans	-65.3	-45.7	176.8	-64.8	-28.6	0	0	0	111.6	L36 S37 R43 A44 I97 R99	L36-D40 HydrophobicContact CB-CB 4.35Å; L36-D40 HydrophobicContact CD2-CB 4.46Å; S37-D40 WeakPolarHBondContact CB-OD2 3.25Å; S37-D40 PolarHBondContact N-OD2 2.68Å; S37-D40 VanDerWaalsContact N-OD2 3.1Å; S37-D40 WeakPolarHBondContact O-CA 3.24Å; S37-D40 VanDerWaalsContact O-CB 3.32Å; S37-D40 WeakPolarHBondContact O-CB 3.35Å; S37-D40 PolarHBondContact O-N 3.23Å; S37-D40 PolarHBondContact OG-N 3.3Å; S37-D40 PolarHBondContact OG-OD1 2.82Å; S37-D40 PolarHBondContact OG-OD2 2.77Å; D40-R43 WeakPolarHBondContact O-CB 3.45Å; D40-R43 PolarHBondContact O-N 2.92Å; D40-R43 IonicContact OD1-NH1 2.71Å; D40-A44 WeakPolarHBondContact O-CB 3.37Å; D40-A44 PolarHBondContact O-N 3.19Å; D40-I97 HydrophobicContact CB-CG2 3.42Å; D40-I97 VanDerWaalsContact CB-CG2 3.42Å; D40-R99 IonicContact OD2-NH1 2.71Å; D40-R99 PolarHBondContact OD2-NH1 3.15Å
41	I	79.6	Confident	78.9	Confident	4 Å²	4	69 Å²	69	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-66.4	-41.6	-179.9	-63.8	164	0	0	0	110.5	L33 L36 S37 R43 A44 L45 P69 F73	L33-I41 HydrophobicContact CD2-CD1 4.01Å; L33-I41 HydrophobicContact CD2-CG1 4.12Å; L36-I41 HydrophobicContact CB-CD1 3.95Å; L36-I41 HydrophobicContact CB-CG1 3.71Å; L36-I41 HydrophobicContact CD1-CG1 4.28Å; S37-I41 WeakPolarHBondContact O-CG1 3.16Å; S37-I41 PolarHBondContact O-N 2.7Å; I41-R43 PolarHBondContact O-N 2.76Å; I41-A44 PolarHBondContact O-N 3.18Å; I41-L45 HydrophobicContact CG2-CD1 3.93Å; I41-L45 HydrophobicContact CG2-CG 4.37Å; I41-L45 WeakPolarHBondContact O-CG 3.41Å; I41-L45 PolarHBondContact O-N 3.11Å; I41-P69 HydrophobicContact CB-CB 4.25Å; I41-P69 HydrophobicContact CD1-CB 3.71Å; I41-P69 HydrophobicContact CD1-CG 4.21Å; I41-P69 HydrophobicContact CG1-CB 4.48Å; I41-P69 HydrophobicContact CG2-CB 3.49Å; I41-P69 VanDerWaalsContact CG2-CB 3.49Å; I41-F73 HydrophobicContact CG2-CE2 4.02Å
42	K	78.1	Confident	78.5	Confident	85 Å²	85	64.9 Å²	64.9	37%	0.37	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-40.1	174.6	-70.9	165	-165.9	-170.7	0	111.7	D38 H46 T66	D38-K42 VanDerWaalsContact O-CB 3.26Å; D38-K42 WeakPolarHBondContact O-CB 3.45Å; D38-K42 VanDerWaalsContact O-CD 3.26Å; D38-K42 WeakPolarHBondContact O-CD 3.41Å; D38-K42 WeakPolarHBondContact O-CG 3.25Å; D38-K42 PolarHBondContact O-N 3.25Å; K42-H46 VanDerWaalsContact O-CB 3.24Å; K42-H46 WeakPolarHBondContact O-CB 3.48Å; K42-H46 PolarHBondContact O-N 2.97Å; K42-T66 HydrophobicContact CD-CG2 4.05Å; K42-T66 HydrophobicContact CG-CG2 4.24Å; K42-T66 PolarHBondContact NZ-O 3.1Å
43	R	82.7	Confident	77.8	Confident	150 Å²	150	68.1 Å²	68.1	57%	0.566	34%	0.335	S	S	*	.	H	α-helix	trans	-62.4	-43.3	172.1	-75.9	165.5	170.8	178	-7	112.5	K39 D40 I41 K47	K39-R43 WeakPolarHBondContact O-CB 3.38Å; K39-R43 WeakPolarHBondContact O-CD 3.31Å; K39-R43 VanDerWaalsContact O-CG 3.23Å; K39-R43 WeakPolarHBondContact O-CG 3.36Å; K39-R43 PolarHBondContact O-N 3.4Å; D40-R43 WeakPolarHBondContact O-CB 3.45Å; D40-R43 PolarHBondContact O-N 2.92Å; D40-R43 IonicContact OD1-NH1 2.71Å; I41-R43 PolarHBondContact O-N 2.76Å; R43-K47 WeakPolarHBondContact O-CB 3.41Å; R43-K47 PolarHBondContact O-N 3.21Å; R43-K47 VanDerWaalsContact O-N 3.13Å
44	A	81.1	Confident	76.8	Confident	1 Å²	1	79 Å²	79	1%	0.008	37%	0.374	C	S	.	.	H	α-helix	trans	-63.3	-54.5	179	0	0	0	0	0	111.3	D40 I41 H46 K47 Y48 F73 I97	D40-A44 WeakPolarHBondContact O-CB 3.37Å; D40-A44 PolarHBondContact O-N 3.19Å; I41-A44 PolarHBondContact O-N 3.18Å; A44-H46 VanDerWaalsContact C-N 3.33Å; A44-H46 PolarHBondContact O-N 3.41Å; A44-K47 PolarHBondContact O-N 3.37Å; A44-K47 VanDerWaalsContact O-N 3.11Å; A44-Y48 WeakPolarHBondContact O-CD2 3.12Å; A44-Y48 PolarHBondContact O-N 2.87Å; A44-Y48 VanDerWaalsContact O-N 3.12Å; A44-F73 HydrophobicContact CB-CZ 4.35Å; A44-I97 HydrophobicContact CB-CD1 3.73Å; A44-I97 HydrophobicContact CB-CG1 4.04Å
45	L	78.8	Confident	75.7	Confident	4 Å²	4	84.1 Å²	84.1	2%	0.021	38%	0.384	C	S	.	.	H	α-helix	trans	-60.2	-43	179.7	-67.1	173.6	0	0	0	111.3	I41 K47 Y48 R49 W58 L62 A65 F73 L76	I41-L45 HydrophobicContact CG2-CD1 3.93Å; I41-L45 HydrophobicContact CG2-CG 4.37Å; I41-L45 WeakPolarHBondContact O-CG 3.41Å; I41-L45 PolarHBondContact O-N 3.11Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 2.96Å; L45-Y48 PolarHBondContact O-N 3.31Å; L45-R49 PolarHBondContact O-N 3.41Å; L45-W58 HydrophobicContact CB-CH2 4.17Å; L45-W58 VanDerWaalsContact O-CH2 3.22Å; L45-W58 WeakPolarHBondContact O-CH2 3.36Å; L45-L62 HydrophobicContact CB-CD1 3.99Å; L45-L62 HydrophobicContact CD1-CD1 4.42Å; L45-A65 HydrophobicContact CD1-CB 4.07Å; L45-F73 HydrophobicContact CD2-CD2 4.16Å; L45-F73 HydrophobicContact CD2-CE2 4.07Å; L45-F73 HydrophobicContact CG-CE2 4.27Å; L45-L76 HydrophobicContact CD2-CD1 4.03Å
46	H	78.8	Confident	74.7	Confident	114 Å²	114	80.2 Å²	80.2	53%	0.528	37%	0.37	S	S	.	.	H	α-helix	trans	-58.4	-39.6	175.8	-173.9	95.8	0	0	0	112.9	K42 A44	K42-H46 VanDerWaalsContact O-CB 3.24Å; K42-H46 WeakPolarHBondContact O-CB 3.48Å; K42-H46 PolarHBondContact O-N 2.97Å; A44-H46 VanDerWaalsContact C-N 3.33Å; A44-H46 PolarHBondContact O-N 3.41Å
47	K	81.5	Confident	73.6	Confident	108 Å²	108	84 Å²	84	47%	0.47	39%	0.39	S	S	.	.	H	α-helix	trans	-73.4	-29	-179.3	-178	58.7	177.8	173.4	0	114	R43 A44 L45 Y96	R43-K47 WeakPolarHBondContact O-CB 3.41Å; R43-K47 PolarHBondContact O-N 3.21Å; R43-K47 VanDerWaalsContact O-N 3.13Å; A44-K47 PolarHBondContact O-N 3.37Å; A44-K47 VanDerWaalsContact O-N 3.11Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 2.96Å; K47-Y96 HydrophobicContact CB-CD1 3.88Å; K47-Y96 HydrophobicContact CB-CE1 3.38Å; K47-Y96 HydrophobicContact CB-CE2 4.45Å; K47-Y96 HydrophobicContact CD-CD2 4.44Å; K47-Y96 HydrophobicContact CD-CE1 4.29Å; K47-Y96 HydrophobicContact CD-CE2 3.82Å; K47-Y96 HydrophobicContact CG-CD1 3.83Å; K47-Y96 HydrophobicContact CG-CD2 4.03Å; K47-Y96 HydrophobicContact CG-CE1 3.57Å; K47-Y96 HydrophobicContact CG-CE2 3.77Å; K47-Y96 HydrophobicContact CG-CG 4.05Å
48	Y	77	Confident	72.5	Confident	39 Å²	39	83.9 Å²	83.9	15%	0.153	38%	0.382	C	S	.	.	H	α-helix	trans	-109.4	14.3	-175.7	-69.9	-85.9	0	0	0	113.5	A44 L45 D50 L51 K92 M93	A44-Y48 WeakPolarHBondContact O-CD2 3.12Å; A44-Y48 PolarHBondContact O-N 2.87Å; A44-Y48 VanDerWaalsContact O-N 3.12Å; L45-Y48 PolarHBondContact O-N 3.31Å; Y48-D50 PolarHBondContact O-N 2.91Å; Y48-D50 VanDerWaalsContact O-N 3.15Å; Y48-L51 HydrophobicContact CD1-CD1 3.69Å; Y48-L51 HydrophobicContact CD1-CG 4.33Å; Y48-L51 HydrophobicContact CE1-CD1 4.46Å; Y48-L51 WeakPolarHBondContact O-CB 3.26Å; Y48-L51 PolarHBondContact O-N 2.8Å; Y48-L51 VanDerWaalsContact O-N 3.08Å; Y48-K92 VanDerWaalsContact OH-C 3.24Å; Y48-K92 WeakPolarHBondContact OH-CB 3.48Å; Y48-K92 PolarHBondContact OH-O 3.01Å; Y48-M93 VanDerWaalsContact CB-CE 3.46Å; Y48-M93 HydrophobicContact CD1-CE 3.77Å; Y48-M93 HydrophobicContact CD2-CE 3.67Å; Y48-M93 HydrophobicContact CD2-CG 3.5Å; Y48-M93 VanDerWaalsContact CD2-CG 3.5Å; Y48-M93 HydrophobicContact CD2-SD 4.38Å; Y48-M93 HydrophobicContact CE1-CE 4.41Å; Y48-M93 HydrophobicContact CE1-CG 4.4Å; Y48-M93 HydrophobicContact CE2-CB 4.22Å; Y48-M93 HydrophobicContact CE2-CE 4.35Å; Y48-M93 HydrophobicContact CE2-CG 3.36Å; Y48-M93 HydrophobicContact CG-CE 3.33Å; Y48-M93 HydrophobicContact CG-CG 4.1Å
49	R	75.2	Confident	71.5	Confident	117 Å²	117	85.3 Å²	85.3	44%	0.442	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-49	-38.7	173.9	75	-176	-165.2	177.9	2.7	112.9	L45 L51 M52 W58	L45-R49 PolarHBondContact O-N 3.41Å; R49-L51 PolarHBondContact O-N 3.47Å; R49-M52 PolarHBondContact O-N 2.95Å; R49-M52 VanDerWaalsContact O-N 3.09Å; R49-W58 HydrophobicContact CB-CD2 4.04Å; R49-W58 VanDerWaalsContact CB-CE2 3.42Å; R49-W58 HydrophobicContact CB-CE3 4.39Å; R49-W58 HydrophobicContact CB-CH2 3.64Å; R49-W58 HydrophobicContact CB-CZ2 3.2Å; R49-W58 HydrophobicContact CB-CZ3 4.2Å
50	D	74.2	Confident	70.6	Confident	114 Å²	114	85.7 Å²	85.7	61%	0.61	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-77.2	-6	-172.4	-46.8	-67	0	0	0	112.3	Y48	Y48-D50 PolarHBondContact O-N 2.91Å; Y48-D50 VanDerWaalsContact O-N 3.15Å
51	L	72.3	Confident	69.4	Low	61 Å²	61	86.9 Å²	86.9	32%	0.319	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-86.9	-8.5	168.7	-63.8	-172.7	0	0	0	113.6	Y48 R49 Q81 T89	Y48-L51 HydrophobicContact CD1-CD1 3.69Å; Y48-L51 HydrophobicContact CD1-CG 4.33Å; Y48-L51 HydrophobicContact CE1-CD1 4.46Å; Y48-L51 WeakPolarHBondContact O-CB 3.26Å; Y48-L51 PolarHBondContact O-N 2.8Å; Y48-L51 VanDerWaalsContact O-N 3.08Å; R49-L51 PolarHBondContact O-N 3.47Å; L51-Q81 HydrophobicContact CB-CG 4.07Å; L51-Q81 PolarHBondContact O-NE2 3.22Å; L51-T89 HydrophobicContact CD1-CG2 4.07Å
52	M	65.8	Low	68.5	Low	14 Å²	14	88.6 Å²	88.6	7%	0.069	40%	0.4	C	S	.	.	S	Bend	trans	-90.4	143.6	174.1	-68.8	-155.4	-173.5	0	0	111.6	R49 R54 W58 G72 Y75 L76	R49-M52 PolarHBondContact O-N 2.95Å; R49-M52 VanDerWaalsContact O-N 3.09Å; M52-R54 PolarHBondContact O-N 2.79Å; M52-W58 HydrophobicContact CB-CE3 4.28Å; M52-W58 HydrophobicContact CE-CZ3 3.81Å; M52-W58 HydrophobicContact CG-CE3 4.22Å; M52-W58 HydrophobicContact CG-CZ3 4.05Å; M52-W58 HydrophobicContact SD-CE3 3.65Å; M52-W58 HydrophobicContact SD-CZ3 3.5Å; M52-W58 VanDerWaalsContact SD-CZ3 3.5Å; M52-G72 WeakPolarHBondContact CE-O 3.14Å; M52-Y75 VanDerWaalsContact CE-CB 3.47Å; M52-L76 HydrophobicContact CE-CD2 4.02Å; M52-L76 HydrophobicContact CE-CG 3.7Å; M52-L76 HydrophobicContact CG-CD2 4.41Å
53	P	63	Low	67.6	Low	70 Å²	70	89.4 Å²	89.4	46%	0.455	41%	0.413	S	S	.	.			trans	-56.4	121.5	174.7	-26.9	35.2	0	0	0	112.5	Q55 S56 C79	P53-Q55 PolarHBondContact O-N 3.01Å; P53-S56 PolarHBondContact O-N 3.28Å; P53-S56 PolarHBondContact O-OG 2.87Å; P53-C79 WeakPolarHBondContact CD-SG 3.37Å
54	R	56.9	Low	66.5	Low	244 Å²	244	86.6 Å²	86.6	92%	0.921	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.6	179.3	-73.4	-175.5	172.7	-172	-1.8	114.4	M52 S56	M52-R54 PolarHBondContact O-N 2.79Å; R54-S56 PolarHBondContact O-N 3.39Å
55	Q	54.8	Low	65.3	Low	195 Å²	195	86.9 Å²	86.9	91%	0.911	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-13	175.7	-67.4	177	-10.5	0	0	113.7	P53	P53-Q55 PolarHBondContact O-N 3.01Å
56	S	58.1	Low	64.2	Low	27 Å²	27	89.7 Å²	89.7	19%	0.189	43%	0.425	C	S	.	.	S	Bend	trans	-91.4	140.8	174.3	72.9	0	0	0	0	110.8	P53 R54 W58	P53-S56 PolarHBondContact O-N 3.28Å; P53-S56 PolarHBondContact O-OG 2.87Å; R54-S56 PolarHBondContact O-N 3.39Å; S56-W58 PolarHBondContact O-N 2.96Å
57	D	60.1	Low	63.2	Low	94 Å²	94	88.8 Å²	88.8	50%	0.503	43%	0.432	S	S	.	.			trans	-59.3	72.7	178.5	-73.7	-25.2	0	0	0	112.4	N59 R60 K61	D57-N59 PolarHBondContact O-N 3.37Å; D57-R60 HydrophobicContact CB-CB 3.72Å; D57-R60 PolarHBondContact O-N 3.17Å; D57-R60 IonicContact OD2-NH1 3.4Å; D57-K61 VanDerWaalsContact O-CB 3.27Å; D57-K61 WeakPolarHBondContact O-CB 3.42Å; D57-K61 VanDerWaalsContact O-CG 3.28Å; D57-K61 WeakPolarHBondContact O-CG 3.18Å; D57-K61 PolarHBondContact O-N 2.86Å
58	W	59.8	Low	62.4	Low	46 Å²	46	89.1 Å²	89.1	17%	0.174	44%	0.437	C	S	.	.	H	α-helix	trans	-58.9	-47.7	-172.1	164.8	-95.2	0	0	0	111.2	L45 R49 M52 S56 R60 K61 L62	L45-W58 HydrophobicContact CB-CH2 4.17Å; L45-W58 VanDerWaalsContact O-CH2 3.22Å; L45-W58 WeakPolarHBondContact O-CH2 3.36Å; R49-W58 HydrophobicContact CB-CD2 4.04Å; R49-W58 VanDerWaalsContact CB-CE2 3.42Å; R49-W58 HydrophobicContact CB-CE3 4.39Å; R49-W58 HydrophobicContact CB-CH2 3.64Å; R49-W58 HydrophobicContact CB-CZ2 3.2Å; R49-W58 HydrophobicContact CB-CZ3 4.2Å; M52-W58 HydrophobicContact CB-CE3 4.28Å; M52-W58 HydrophobicContact CE-CZ3 3.81Å; M52-W58 HydrophobicContact CG-CE3 4.22Å; M52-W58 HydrophobicContact CG-CZ3 4.05Å; M52-W58 HydrophobicContact SD-CE3 3.65Å; M52-W58 HydrophobicContact SD-CZ3 3.5Å; M52-W58 VanDerWaalsContact SD-CZ3 3.5Å; S56-W58 PolarHBondContact O-N 2.96Å; W58-R60 PolarHBondContact O-N 3.3Å; W58-K61 CarbonylContact O-C 3.57Å; W58-K61 PolarHBondContact O-N 3.02Å; W58-L62 HydrophobicContact CH2-CD1 3.66Å; W58-L62 HydrophobicContact CZ2-CD1 3.48Å; W58-L62 VanDerWaalsContact CZ2-CD1 3.48Å; W58-L62 HydrophobicContact CZ2-CD2 3.69Å; W58-L62 HydrophobicContact CZ2-CG 4.09Å; W58-L62 HydrophobicContact CZ3-CD1 4.43Å; W58-L62 VanDerWaalsContact O-CB 3.25Å; W58-L62 WeakPolarHBondContact O-CB 3.31Å; W58-L62 PolarHBondContact O-N 3.29Å
59	N	56.6	Low	61.8	Low	124 Å²	124	88.7 Å²	88.7	66%	0.663	44%	0.439	S	S	*	.	H	α-helix	trans	-61.5	-45.8	179	-79.4	-8	0	0	0	111.9	D57 K61 L62 T63	D57-N59 PolarHBondContact O-N 3.37Å; N59-K61 PolarHBondContact O-N 3.29Å; N59-L62 PolarHBondContact O-N 3.09Å; N59-L62 VanDerWaalsContact O-N 3.16Å; N59-T63 PolarHBondContact O-N 3.17Å; N59-T63 PolarHBondContact O-OG1 3.09Å; N59-T63 VanDerWaalsContact O-OG1 3.06Å
60	R	63.1	Low	61.4	Low	170 Å²	170	87.5 Å²	87.5	64%	0.642	44%	0.438	S	S	*	.	H	α-helix	trans	-63.7	-41.7	178.8	-160.3	-179.3	-178.8	-158.8	1.3	111.7	D57 W58 L62 T63 Q64	D57-R60 HydrophobicContact CB-CB 3.72Å; D57-R60 PolarHBondContact O-N 3.17Å; D57-R60 IonicContact OD2-NH1 3.4Å; W58-R60 PolarHBondContact O-N 3.3Å; R60-L62 VanDerWaalsContact C-N 3.32Å; R60-T63 PolarHBondContact O-N 2.8Å; R60-Q64 WeakPolarHBondContact O-CG 3.45Å; R60-Q64 PolarHBondContact O-N 2.8Å
61	K	60.7	Low	61.3	Low	44 Å²	44	84.1 Å²	84.1	19%	0.191	42%	0.42	C	S	.	.	H	α-helix	trans	-70.4	-26.6	175.3	-71.5	174.5	173.4	-162.9	0	112.7	D57 W58 N59 Q64 A65 Y75	D57-K61 VanDerWaalsContact O-CB 3.27Å; D57-K61 WeakPolarHBondContact O-CB 3.42Å; D57-K61 VanDerWaalsContact O-CG 3.28Å; D57-K61 WeakPolarHBondContact O-CG 3.18Å; D57-K61 PolarHBondContact O-N 2.86Å; W58-K61 CarbonylContact O-C 3.57Å; W58-K61 PolarHBondContact O-N 3.02Å; N59-K61 PolarHBondContact O-N 3.29Å; K61-Q64 PolarHBondContact O-N 3.09Å; K61-A65 VanDerWaalsContact O-CB 3.26Å; K61-A65 WeakPolarHBondContact O-CB 3.33Å; K61-A65 PolarHBondContact O-N 3.15Å; K61-Y75 HydrophobicContact CB-CE2 4.11Å; K61-Y75 HydrophobicContact CD-CD2 4.21Å; K61-Y75 HydrophobicContact CD-CE1 4.38Å; K61-Y75 HydrophobicContact CD-CE2 3.59Å; K61-Y75 WeakPolarHBondContact CE-OH 3.49Å; K61-Y75 HydrophobicContact CG-CE2 3.88Å
62	L	60.6	Low	61.3	Low	39 Å²	39	81.4 Å²	81.4	20%	0.204	41%	0.406	C	S	.	.	H	α-helix	trans	-77.4	-38.1	174.3	-157.7	67.7	0	0	0	110.9	L45 W58 N59 R60 Q64 A65 T66	L45-L62 HydrophobicContact CB-CD1 3.99Å; L45-L62 HydrophobicContact CD1-CD1 4.42Å; W58-L62 HydrophobicContact CH2-CD1 3.66Å; W58-L62 HydrophobicContact CZ2-CD1 3.48Å; W58-L62 VanDerWaalsContact CZ2-CD1 3.48Å; W58-L62 HydrophobicContact CZ2-CD2 3.69Å; W58-L62 HydrophobicContact CZ2-CG 4.09Å; W58-L62 HydrophobicContact CZ3-CD1 4.43Å; W58-L62 VanDerWaalsContact O-CB 3.25Å; W58-L62 WeakPolarHBondContact O-CB 3.31Å; W58-L62 PolarHBondContact O-N 3.29Å; N59-L62 PolarHBondContact O-N 3.09Å; N59-L62 VanDerWaalsContact O-N 3.16Å; R60-L62 VanDerWaalsContact C-N 3.32Å; L62-Q64 PolarHBondContact O-N 3.49Å; L62-A65 HydrophobicContact CD1-CB 4.45Å; L62-A65 CarbonylContact O-C 3.54Å; L62-A65 PolarHBondContact O-N 3.43Å; L62-A65 VanDerWaalsContact O-N 3.15Å; L62-T66 WeakPolarHBondContact O-CG2 3.25Å; L62-T66 PolarHBondContact O-N 2.88Å; L62-T66 PolarHBondContact O-OG1 3.28Å
63	T	58	Low	61.7	Low	102 Å²	102	81.2 Å²	81.2	63%	0.626	41%	0.405	S	S	*	.	H	α-helix	trans	-62.3	-31.3	168.9	-50.6	0	0	0	0	111.9	N59 R60 T66	N59-T63 PolarHBondContact O-N 3.17Å; N59-T63 PolarHBondContact O-OG1 3.09Å; N59-T63 VanDerWaalsContact O-OG1 3.06Å; R60-T63 PolarHBondContact O-N 2.8Å; T63-T66 VanDerWaalsContact C-OG1 3.26Å; T63-T66 VanDerWaalsContact CA-OG1 3.3Å; T63-T66 WeakPolarHBondContact CA-OG1 3.38Å; T63-T66 PolarHBondContact O-OG1 2.95Å
64	Q	59.1	Low	62.2	Low	92 Å²	92	86 Å²	86	43%	0.43	41%	0.414	S	S	.	.	H	α-helix	trans	-76.9	-38	169.4	-69.9	173.1	-14.2	0	0	112.7	R60 K61 L62 T66 S67 M68 L71	R60-Q64 WeakPolarHBondContact O-CG 3.45Å; R60-Q64 PolarHBondContact O-N 2.8Å; K61-Q64 PolarHBondContact O-N 3.09Å; L62-Q64 PolarHBondContact O-N 3.49Å; Q64-T66 PolarHBondContact O-N 3.2Å; Q64-S67 PolarHBondContact O-N 3.32Å; Q64-S67 PolarHBondContact O-OG 3.11Å; Q64-M68 PolarHBondContact O-N 3.25Å; Q64-L71 HydrophobicContact CB-CD2 3.91Å
65	A	56.8	Low	62.9	Low	6 Å²	6	77 Å²	77	5%	0.05	38%	0.381	C	S	.	.	H	α-helix	trans	-70.7	-18.7	175.3	0	0	0	0	0	112.8	L45 K61 L62 S67 M68	L45-A65 HydrophobicContact CD1-CB 4.07Å; K61-A65 VanDerWaalsContact O-CB 3.26Å; K61-A65 WeakPolarHBondContact O-CB 3.33Å; K61-A65 PolarHBondContact O-N 3.15Å; L62-A65 HydrophobicContact CD1-CB 4.45Å; L62-A65 CarbonylContact O-C 3.54Å; L62-A65 PolarHBondContact O-N 3.43Å; L62-A65 VanDerWaalsContact O-N 3.15Å; A65-S67 PolarHBondContact O-N 2.91Å; A65-M68 WeakPolarHBondContact CA-O 3.29Å; A65-M68 CarbonylContact O-C 3.52Å
66	T	56.4	Low	63.9	Low	63 Å²	63	67.8 Å²	67.8	39%	0.387	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.3	171.8	41.7	0	0	0	0	114.2	K42 L62 T63 Q64	K42-T66 HydrophobicContact CD-CG2 4.05Å; K42-T66 HydrophobicContact CG-CG2 4.24Å; K42-T66 PolarHBondContact NZ-O 3.1Å; L62-T66 WeakPolarHBondContact O-CG2 3.25Å; L62-T66 PolarHBondContact O-N 2.88Å; L62-T66 PolarHBondContact O-OG1 3.28Å; T63-T66 VanDerWaalsContact C-OG1 3.26Å; T63-T66 VanDerWaalsContact CA-OG1 3.3Å; T63-T66 WeakPolarHBondContact CA-OG1 3.38Å; T63-T66 PolarHBondContact O-OG1 2.95Å; Q64-T66 PolarHBondContact O-N 3.2Å
67	S	56.5	Low	64.8	Low	96 Å²	96	71.2 Å²	71.2	67%	0.671	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-23.7	169.4	55.7	0	0	0	0	113.9	Q64 A65	Q64-S67 PolarHBondContact O-N 3.32Å; Q64-S67 PolarHBondContact O-OG 3.11Å; A65-S67 PolarHBondContact O-N 2.91Å
68	M	65.9	Low	65.4	Low	115 Å²	115	76 Å²	76	57%	0.567	36%	0.358	S	S	*	.			trans	-131	91.1	172.5	-66.1	-155.8	79.8	0	0	112.4	Q64 A65 E70 L71	Q64-M68 PolarHBondContact O-N 3.25Å; A65-M68 WeakPolarHBondContact CA-O 3.29Å; A65-M68 CarbonylContact O-C 3.52Å; M68-E70 VanDerWaalsContact C-N 3.26Å; M68-E70 PolarHBondContact O-N 3.15Å; M68-L71 HydrophobicContact CB-CB 4.43Å; M68-L71 VanDerWaalsContact O-CB 3.3Å; M68-L71 WeakPolarHBondContact O-CB 3.29Å; M68-L71 PolarHBondContact O-N 3.08Å
69	P	64.6	Low	66.1	Low	30 Å²	30	75.9 Å²	75.9	20%	0.195	36%	0.364	C	S	.	.	H	α-helix	trans	-59.3	-32.1	-176.3	18.4	-30.6	0	0	0	114.5	I41 L71 G72	I41-P69 HydrophobicContact CB-CB 4.25Å; I41-P69 HydrophobicContact CD1-CB 3.71Å; I41-P69 HydrophobicContact CD1-CG 4.21Å; I41-P69 HydrophobicContact CG1-CB 4.48Å; I41-P69 HydrophobicContact CG2-CB 3.49Å; I41-P69 VanDerWaalsContact CG2-CB 3.49Å; P69-L71 PolarHBondContact O-N 2.93Å; P69-G72 PolarHBondContact O-N 3.44Å
70	E	66.7	Low	66.8	Low	91 Å²	91	71.9 Å²	71.9	43%	0.425	35%	0.352	S	S	.	.	H	α-helix	trans	-55.2	-32.5	175.6	-61.3	-173.3	153.2	0	0	113	R30 L33 M68 G72 F73 R74	R30-E70 WeakPolarHBondContact CG-OE1 3.2Å; L33-E70 HydrophobicContact CD1-CG 4.35Å; M68-E70 VanDerWaalsContact C-N 3.26Å; M68-E70 PolarHBondContact O-N 3.15Å; E70-G72 VanDerWaalsContact C-N 3.33Å; E70-G72 PolarHBondContact O-N 3.25Å; E70-F73 PolarHBondContact O-N 3.22Å; E70-R74 VanDerWaalsContact O-CB 3.27Å; E70-R74 WeakPolarHBondContact O-CB 3.43Å; E70-R74 PolarHBondContact O-N 3.03Å
71	L	71.7	Confident	67.3	Low	44 Å²	44	66.3 Å²	66.3	23%	0.23	33%	0.333	C	S	.	.	H	α-helix	trans	-64.4	-37.6	-176.8	-172.6	65	0	0	0	112	Q64 M68 P69 R74 Y75	Q64-L71 HydrophobicContact CB-CD2 3.91Å; M68-L71 HydrophobicContact CB-CB 4.43Å; M68-L71 VanDerWaalsContact O-CB 3.3Å; M68-L71 WeakPolarHBondContact O-CB 3.29Å; M68-L71 PolarHBondContact O-N 3.08Å; P69-L71 PolarHBondContact O-N 2.93Å; L71-R74 PolarHBondContact O-N 2.82Å; L71-Y75 HydrophobicContact CD1-CE2 3.89Å; L71-Y75 HydrophobicContact CD2-CE2 4.12Å; L71-Y75 HydrophobicContact CG-CD2 4.14Å; L71-Y75 HydrophobicContact CG-CE2 3.65Å; L71-Y75 WeakPolarHBondContact O-CD2 3.32Å; L71-Y75 PolarHBondContact O-N 3.16Å
72	G	72.1	Confident	68	Low	3 Å²	3	64.3 Å²	64.3	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-65.5	-44.2	178.4	0	0	0	0	0	112.5	M52 P69 E70 Y75 L76	M52-G72 WeakPolarHBondContact CE-O 3.14Å; P69-G72 PolarHBondContact O-N 3.44Å; E70-G72 VanDerWaalsContact C-N 3.33Å; E70-G72 PolarHBondContact O-N 3.25Å; G72-Y75 PolarHBondContact O-N 2.8Å; G72-L76 PolarHBondContact O-N 3.42Å; G72-L76 VanDerWaalsContact O-N 3.07Å
73	F	74	Confident	68.4	Low	11 Å²	11	64.1 Å²	64.1	5%	0.048	32%	0.324	C	S	.	.	H	α-helix	trans	-72.7	-33.8	176.8	-78.3	-95.6	0	0	0	112.5	L33 I41 A44 L45 E70 Y75 L76 Y77 I82 M90 M93	L33-F73 HydrophobicContact CD1-CB 4.01Å; L33-F73 HydrophobicContact CD1-CD2 4.28Å; L33-F73 HydrophobicContact CD1-CG 4.19Å; L33-F73 HydrophobicContact CD2-CD2 3.43Å; L33-F73 VanDerWaalsContact CD2-CD2 3.43Å; L33-F73 HydrophobicContact CD2-CE2 3.58Å; L33-F73 HydrophobicContact CD2-CG 3.93Å; L33-F73 HydrophobicContact CD2-CZ 4.18Å; L33-F73 HydrophobicContact CG-CD2 4.43Å; I41-F73 HydrophobicContact CG2-CE2 4.02Å; A44-F73 HydrophobicContact CB-CZ 4.35Å; L45-F73 HydrophobicContact CD2-CD2 4.16Å; L45-F73 HydrophobicContact CD2-CE2 4.07Å; L45-F73 HydrophobicContact CG-CE2 4.27Å; E70-F73 PolarHBondContact O-N 3.22Å; F73-Y75 VanDerWaalsContact C-N 3.26Å; F73-Y75 PolarHBondContact O-N 3.35Å; F73-L76 HydrophobicContact CD1-CD1 4.09Å; F73-L76 HydrophobicContact CE1-CD1 4.27Å; F73-L76 HydrophobicContact CG-CD1 4.39Å; F73-L76 PolarHBondContact O-N 2.99Å; F73-L76 VanDerWaalsContact O-N 3.15Å; F73-Y77 WeakPolarHBondContact O-CB 3.27Å; F73-Y77 PolarHBondContact O-N 2.91Å; F73-I82 HydrophobicContact CD1-CD1 4Å; F73-I82 HydrophobicContact CE1-CD1 4.16Å; F73-M90 HydrophobicContact CD1-CE 3.71Å; F73-M90 HydrophobicContact CE1-CE 3.61Å; F73-M90 HydrophobicContact CE1-SD 3.95Å; F73-M93 HydrophobicContact CE1-SD 3.72Å; F73-M93 HydrophobicContact CZ-SD 4.19Å
74	R	72.8	Confident	68.9	Low	169 Å²	169	64.8 Å²	64.8	64%	0.638	32%	0.32	S	S	*	.	H	α-helix	trans	-62.6	-30.6	170.2	-177.6	172.4	172.4	164.2	-2.4	112.7	E70 L71 R78	E70-R74 VanDerWaalsContact O-CB 3.27Å; E70-R74 WeakPolarHBondContact O-CB 3.43Å; E70-R74 PolarHBondContact O-N 3.03Å; L71-R74 PolarHBondContact O-N 2.82Å; R74-R78 PolarHBondContact O-N 3.2Å; R74-R78 VanDerWaalsContact O-N 3.15Å
75	Y	72.3	Confident	69.2	Low	56 Å²	56	65.3 Å²	65.3	22%	0.22	33%	0.333	C	S	.	.	H	α-helix	trans	-72.7	-43.2	168.8	-75.1	-52.6	0	0	0	112.4	M52 K61 L71 G72 F73 Y77 R78 C79	M52-Y75 VanDerWaalsContact CE-CB 3.47Å; K61-Y75 HydrophobicContact CB-CE2 4.11Å; K61-Y75 HydrophobicContact CD-CD2 4.21Å; K61-Y75 HydrophobicContact CD-CE1 4.38Å; K61-Y75 HydrophobicContact CD-CE2 3.59Å; K61-Y75 WeakPolarHBondContact CE-OH 3.49Å; K61-Y75 HydrophobicContact CG-CE2 3.88Å; L71-Y75 HydrophobicContact CD1-CE2 3.89Å; L71-Y75 HydrophobicContact CD2-CE2 4.12Å; L71-Y75 HydrophobicContact CG-CD2 4.14Å; L71-Y75 HydrophobicContact CG-CE2 3.65Å; L71-Y75 WeakPolarHBondContact O-CD2 3.32Å; L71-Y75 PolarHBondContact O-N 3.16Å; G72-Y75 PolarHBondContact O-N 2.8Å; F73-Y75 VanDerWaalsContact C-N 3.26Å; F73-Y75 PolarHBondContact O-N 3.35Å; Y75-Y77 VanDerWaalsContact C-N 3.26Å; Y75-Y77 PolarHBondContact O-N 2.92Å; Y75-R78 CarbonylContact O-C 3.6Å; Y75-R78 PolarHBondContact O-N 3.09Å; Y75-R78 VanDerWaalsContact O-N 3.15Å; Y75-C79 PolarHBondContact O-N 3.34Å; Y75-C79 PolarHBondContact O-SG 2.88Å
76	L	76.4	Confident	69.9	Low	2 Å²	2	67.2 Å²	67.2	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-58	-39.5	174.9	-71	162.8	0	0	0	112	L45 M52 G72 F73 C79 Q81 I82 M93	L45-L76 HydrophobicContact CD2-CD1 4.03Å; M52-L76 HydrophobicContact CE-CD2 4.02Å; M52-L76 HydrophobicContact CE-CG 3.7Å; M52-L76 HydrophobicContact CG-CD2 4.41Å; G72-L76 PolarHBondContact O-N 3.42Å; G72-L76 VanDerWaalsContact O-N 3.07Å; F73-L76 HydrophobicContact CD1-CD1 4.09Å; F73-L76 HydrophobicContact CE1-CD1 4.27Å; F73-L76 HydrophobicContact CG-CD1 4.39Å; F73-L76 PolarHBondContact O-N 2.99Å; F73-L76 VanDerWaalsContact O-N 3.15Å; L76-C79 PolarHBondContact O-N 3.33Å; L76-Q81 HydrophobicContact CD2-CB 4.3Å; L76-Q81 PolarHBondContact O-N 2.99Å; L76-I82 HydrophobicContact CB-CD1 3.84Å; L76-I82 HydrophobicContact CB-CG1 4.15Å; L76-I82 HydrophobicContact CD1-CD1 3.86Å; L76-I82 HydrophobicContact CG-CD1 4.37Å; L76-M93 HydrophobicContact CD1-CE 3.58Å; L76-M93 HydrophobicContact CD1-SD 4.15Å; L76-M93 HydrophobicContact CD2-CE 4.15Å; L76-M93 HydrophobicContact CG-CE 4.48Å
77	Y	76.5	Confident	70.8	Confident	98 Å²	98	65.2 Å²	65.2	38%	0.384	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-49.2	172.9	-172	-88.5	0	0	0	112.1	V25 Y29 F73 Y75 C79 G80 I82	V25-Y77 HydrophobicContact CG1-CE2 4.4Å; Y29-Y77 HydrophobicContact CD2-CD2 4.36Å; Y29-Y77 HydrophobicContact CE2-CD2 4.16Å; F73-Y77 WeakPolarHBondContact O-CB 3.27Å; F73-Y77 PolarHBondContact O-N 2.91Å; Y75-Y77 VanDerWaalsContact C-N 3.26Å; Y75-Y77 PolarHBondContact O-N 2.92Å; Y77-C79 PolarHBondContact O-N 3.45Å; Y77-C79 VanDerWaalsContact O-N 3.14Å; Y77-G80 PolarHBondContact O-N 3.21Å; Y77-G80 VanDerWaalsContact O-N 3.11Å; Y77-I82 VanDerWaalsContact CA-O 3.3Å; Y77-I82 WeakPolarHBondContact CA-O 3.49Å; Y77-I82 WeakPolarHBondContact CD2-O 3.41Å
78	R	74	Confident	71.8	Confident	195 Å²	195	68.7 Å²	68.7	74%	0.736	33%	0.327	S	S	*	.	H	α-helix	trans	-63.3	-15.4	173.9	-89.4	-170.1	167.7	-174.5	-4.6	114.8	R74 Y75	R74-R78 PolarHBondContact O-N 3.2Å; R74-R78 VanDerWaalsContact O-N 3.15Å; Y75-R78 CarbonylContact O-C 3.6Å; Y75-R78 PolarHBondContact O-N 3.09Å; Y75-R78 VanDerWaalsContact O-N 3.15Å
79	C	72.7	Confident	72.4	Confident	44 Å²	44	63.7 Å²	63.7	30%	0.297	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	2.1	176.5	-61.5	0	0	0	0	113.5	P53 Y75 L76 Y77 Q81	P53-C79 WeakPolarHBondContact CD-SG 3.37Å; Y75-C79 PolarHBondContact O-N 3.34Å; Y75-C79 PolarHBondContact O-SG 2.88Å; L76-C79 PolarHBondContact O-N 3.33Å; Y77-C79 PolarHBondContact O-N 3.45Å; Y77-C79 VanDerWaalsContact O-N 3.14Å; C79-Q81 HydrophobicContact CB-CG 3.84Å; C79-Q81 PolarHBondContact O-N 2.91Å
80	G	72.5	Confident	73.1	Confident	39 Å²	39	62.3 Å²	62.3	40%	0.402	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	15.5	-173.8	0	0	0	0	0	113.9	Y77 N86	Y77-G80 PolarHBondContact O-N 3.21Å; Y77-G80 VanDerWaalsContact O-N 3.11Å; G80-N86 PolarHBondContact O-ND2 3.14Å
81	Q	74	Confident	73.8	Confident	54 Å²	54	61.1 Å²	61.1	25%	0.252	29%	0.289	S	S	.	.	S	Bend	trans	-85.9	-22.8	-179.6	-64.5	-68.1	-6.8	0	0	111.5	L51 L76 C79 N86 T89	L51-Q81 HydrophobicContact CB-CG 4.07Å; L51-Q81 PolarHBondContact O-NE2 3.22Å; L76-Q81 HydrophobicContact CD2-CB 4.3Å; L76-Q81 PolarHBondContact O-N 2.99Å; C79-Q81 HydrophobicContact CB-CG 3.84Å; C79-Q81 PolarHBondContact O-N 2.91Å; Q81-N86 PolarHBondContact O-ND2 3.38Å; Q81-T89 WeakPolarHBondContact O-CB 3.15Å; Q81-T89 WeakPolarHBondContact O-CG2 3.3Å; Q81-T89 PolarHBondContact O-OG1 3.08Å
82	I	75	Confident	74.3	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	30%	0.302	C	S	.	.	S	Bend	trans	-145	101.7	178	-58.7	-179.8	0	0	0	107.2	Y29 F73 L76 Y77 T89 M90 M93	Y29-I82 HydrophobicContact CD1-CG2 4.5Å; Y29-I82 HydrophobicContact CD2-CG2 4.11Å; Y29-I82 HydrophobicContact CE1-CG2 3.82Å; Y29-I82 HydrophobicContact CE2-CG2 3.35Å; Y29-I82 VanDerWaalsContact OH-CG2 3.3Å; Y29-I82 WeakPolarHBondContact OH-CG2 2.96Å; F73-I82 HydrophobicContact CD1-CD1 4Å; F73-I82 HydrophobicContact CE1-CD1 4.16Å; L76-I82 HydrophobicContact CB-CD1 3.84Å; L76-I82 HydrophobicContact CB-CG1 4.15Å; L76-I82 HydrophobicContact CD1-CD1 3.86Å; L76-I82 HydrophobicContact CG-CD1 4.37Å; Y77-I82 VanDerWaalsContact CA-O 3.3Å; Y77-I82 WeakPolarHBondContact CA-O 3.49Å; Y77-I82 WeakPolarHBondContact CD2-O 3.41Å; I82-T89 HydrophobicContact CD1-CG2 4.32Å; I82-T89 HydrophobicContact CG1-CG2 3.81Å; I82-M90 HydrophobicContact CG2-CB 4.32Å; I82-M93 HydrophobicContact CD1-CE 3.96Å; I82-M93 HydrophobicContact CD1-SD 3.6Å; I82-M93 VanDerWaalsContact CD1-SD 3.6Å
83	D	69.4	Low	74.7	Confident	36 Å²	36	64.5 Å²	64.5	19%	0.193	30%	0.301	C	S	.	.	S	Bend	trans	-131.6	-158.5	-178.7	58.2	68.9	0	0	0	111.3	Y29 S85 N86 H87	Y29-D83 PolarHBondContact OH-O 3.38Å; D83-S85 VanDerWaalsContact C-N 3.3Å; D83-S85 WeakPolarHBondContact OD1-CA 3.27Å; D83-S85 WeakPolarHBondContact OD1-CB 3.35Å; D83-S85 PolarHBondContact OD1-N 2.97Å; D83-S85 PolarHBondContact OD1-OG 3.4Å; D83-N86 PolarHBondContact OD1-N 3.36Å; D83-N86 WeakPolarHBondContact OD2-CB 3.24Å; D83-H87 PolarHBondContact O-CE1 3.37Å; D83-H87 PolarHBondContact O-ND1 2.75Å
84	E	67.4	Low	75.1	Confident	116 Å²	116	64 Å²	64	54%	0.542	30%	0.298	S	S	.	.	S	Bend	trans	-83.2	-4.3	-179.1	-43.9	-156.1	129.5	0	0	113.5	V25 H87	V25-E84 HydrophobicContact CB-CG 3.81Å; V25-E84 WeakPolarHBondContact CB-OE1 3.47Å; V25-E84 HydrophobicContact CG1-CG 4.14Å; V25-E84 HydrophobicContact CG2-CB 3.94Å; V25-E84 HydrophobicContact CG2-CG 3.71Å; V25-E84 WeakPolarHBondContact CG2-OE1 3.3Å; E84-H87 PolarHBondContact O-NE2 2.66Å; E84-H87 VanDerWaalsContact O-NE2 3.15Å
85	S	66.4	Low	75.7	Confident	103 Å²	103	63.3 Å²	63.3	72%	0.72	30%	0.3	S	S	*	.	S	Bend	trans	-119.6	-36	173.7	73.1	0	0	0	0	111.9	D83 H87	D83-S85 VanDerWaalsContact C-N 3.3Å; D83-S85 WeakPolarHBondContact OD1-CA 3.27Å; D83-S85 WeakPolarHBondContact OD1-CB 3.35Å; D83-S85 PolarHBondContact OD1-N 2.97Å; D83-S85 PolarHBondContact OD1-OG 3.4Å; S85-H87 VanDerWaalsContact C-N 3.3Å; S85-H87 PolarHBondContact O-N 3.42Å; S85-H87 VanDerWaalsContact O-N 3.1Å
86	N	71	Confident	76.3	Confident	45 Å²	45	66.2 Å²	66.2	24%	0.241	31%	0.311	C	S	.	.			trans	-90.5	56.4	-175.3	-166	3.2	0	0	0	113	G80 Q81 D83 R88	G80-N86 PolarHBondContact O-ND2 3.14Å; Q81-N86 PolarHBondContact O-ND2 3.38Å; D83-N86 PolarHBondContact OD1-N 3.36Å; D83-N86 WeakPolarHBondContact OD2-CB 3.24Å; N86-R88 PolarHBondContact O-N 2.89Å
87	H	74.6	Confident	76.6	Confident	21 Å²	21	66.8 Å²	66.8	10%	0.097	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-17.7	175.3	-67.2	-41	0	0	0	113.7	Y29 D83 E84 S85 T89 M90 Q91 F106 L110	Y29-H87 PolarHBondContact OH-ND1 3.04Å; D83-H87 PolarHBondContact O-CE1 3.37Å; D83-H87 PolarHBondContact O-ND1 2.75Å; E84-H87 PolarHBondContact O-NE2 2.66Å; E84-H87 VanDerWaalsContact O-NE2 3.15Å; S85-H87 VanDerWaalsContact C-N 3.3Å; S85-H87 PolarHBondContact O-N 3.42Å; S85-H87 VanDerWaalsContact O-N 3.1Å; H87-T89 VanDerWaalsContact C-N 3.31Å; H87-T89 PolarHBondContact O-N 2.96Å; H87-M90 PolarHBondContact O-N 2.92Å; H87-M90 VanDerWaalsContact O-N 3.17Å; H87-Q91 PolarHBondContact O-N 3.21Å; H87-Q91 VanDerWaalsContact O-N 3.09Å; H87-F106 HydrophobicContact CB-CE1 3.85Å; H87-F106 HydrophobicContact CB-CZ 3.63Å; H87-L110 HydrophobicContact CB-CD1 3.83Å; H87-L110 VanDerWaalsContact CD2-CD1 3.43Å; H87-L110 WeakPolarHBondContact CD2-CD1 3.46Å; H87-L110 VanDerWaalsContact NE2-CD2 3.27Å; H87-L110 WeakPolarHBondContact NE2-CD2 3.48Å
88	R	78.5	Confident	76.9	Confident	169 Å²	169	67.3 Å²	67.3	64%	0.638	32%	0.324	S	S	*	.	H	α-helix	trans	-60.4	-35	-176.4	-172.1	178.1	-64.4	-79.2	3.8	113.1	N86 K92	N86-R88 PolarHBondContact O-N 2.89Å; R88-K92 VanDerWaalsContact O-CG 3.25Å; R88-K92 WeakPolarHBondContact O-CG 3.42Å; R88-K92 PolarHBondContact O-N 2.66Å; R88-K92 VanDerWaalsContact O-N 3.09Å
89	T	79.1	Confident	77.1	Confident	10 Å²	10	60.5 Å²	60.5	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-70.4	-39.9	177.6	-57	0	0	0	0	111.6	L51 Q81 I82 H87 K92 M93	L51-T89 HydrophobicContact CD1-CG2 4.07Å; Q81-T89 WeakPolarHBondContact O-CB 3.15Å; Q81-T89 WeakPolarHBondContact O-CG2 3.3Å; Q81-T89 PolarHBondContact O-OG1 3.08Å; I82-T89 HydrophobicContact CD1-CG2 4.32Å; I82-T89 HydrophobicContact CG1-CG2 3.81Å; H87-T89 VanDerWaalsContact C-N 3.31Å; H87-T89 PolarHBondContact O-N 2.96Å; T89-K92 PolarHBondContact O-N 3.07Å; T89-M93 HydrophobicContact CG2-CE 3.69Å; T89-M93 HydrophobicContact CG2-SD 4.37Å; T89-M93 WeakPolarHBondContact O-CG 3.44Å; T89-M93 PolarHBondContact O-N 3.33Å
90	M	79	Confident	77.2	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-43.2	175.7	-177.1	59.2	97.2	0	0	111.6	Y29 I32 F73 I82 H87 K92 M93 L94 F106	Y29-M90 HydrophobicContact CD1-CE 3.4Å; Y29-M90 HydrophobicContact CD1-CG 4.47Å; Y29-M90 HydrophobicContact CE1-CB 4.3Å; Y29-M90 HydrophobicContact CE1-CE 3.86Å; Y29-M90 HydrophobicContact CE1-CG 4.12Å; Y29-M90 HydrophobicContact CG-CE 4.08Å; I32-M90 HydrophobicContact CG2-CE 4.26Å; I32-M90 HydrophobicContact CG2-SD 4.44Å; F73-M90 HydrophobicContact CD1-CE 3.71Å; F73-M90 HydrophobicContact CE1-CE 3.61Å; F73-M90 HydrophobicContact CE1-SD 3.95Å; I82-M90 HydrophobicContact CG2-CB 4.32Å; H87-M90 PolarHBondContact O-N 2.92Å; H87-M90 VanDerWaalsContact O-N 3.17Å; M90-K92 VanDerWaalsContact C-N 3.32Å; M90-K92 PolarHBondContact O-N 3.37Å; M90-M93 WeakPolarHBondContact O-CB 3.45Å; M90-M93 PolarHBondContact O-N 3.36Å; M90-M93 VanDerWaalsContact O-N 3.07Å; M90-L94 HydrophobicContact CG-CD1 4.23Å; M90-L94 HydrophobicContact CG-CG 4.48Å; M90-L94 PolarHBondContact O-N 2.99Å; M90-L94 HydrophobicContact SD-CG 4.28Å; M90-F106 HydrophobicContact CB-CE2 4.06Å; M90-F106 HydrophobicContact CB-CZ 4.03Å; M90-F106 HydrophobicContact CG-CD2 4.41Å; M90-F106 HydrophobicContact CG-CE2 3.68Å; M90-F106 HydrophobicContact CG-CZ 4.14Å
91	Q	79.6	Confident	77.4	Confident	67 Å²	67	66.4 Å²	66.4	31%	0.313	31%	0.314	S	S	.	.	H	α-helix	trans	-58.8	-42.3	173.1	-71.2	176.6	-28.9	0	0	112	H87 M93 K95 L103 F106 D107	H87-Q91 PolarHBondContact O-N 3.21Å; H87-Q91 VanDerWaalsContact O-N 3.09Å; Q91-M93 VanDerWaalsContact C-N 3.32Å; Q91-M93 PolarHBondContact O-N 3.15Å; Q91-K95 VanDerWaalsContact O-CB 3.24Å; Q91-K95 WeakPolarHBondContact O-CB 3.26Å; Q91-K95 PolarHBondContact O-N 3.15Å; Q91-L103 HydrophobicContact CB-CD2 4.46Å; Q91-L103 HydrophobicContact CG-CD2 4.28Å; Q91-F106 HydrophobicContact CG-CD1 3.79Å; Q91-F106 HydrophobicContact CG-CE1 3.38Å; Q91-F106 HydrophobicContact CG-CZ 4.17Å; Q91-D107 PolarHBondContact NE2-OD1 2.8Å
92	K	83.1	Confident	77.6	Confident	116 Å²	116	64 Å²	64	50%	0.504	30%	0.302	S	S	.	.	H	α-helix	trans	-64.6	-32.4	174	-72.6	170.8	176.3	177	0	112.8	Y48 R88 T89 M90 Y96	Y48-K92 VanDerWaalsContact OH-C 3.24Å; Y48-K92 WeakPolarHBondContact OH-CB 3.48Å; Y48-K92 PolarHBondContact OH-O 3.01Å; R88-K92 VanDerWaalsContact O-CG 3.25Å; R88-K92 WeakPolarHBondContact O-CG 3.42Å; R88-K92 PolarHBondContact O-N 2.66Å; R88-K92 VanDerWaalsContact O-N 3.09Å; T89-K92 PolarHBondContact O-N 3.07Å; M90-K92 VanDerWaalsContact C-N 3.32Å; M90-K92 PolarHBondContact O-N 3.37Å; K92-Y96 WeakPolarHBondContact O-CB 3.45Å; K92-Y96 PolarHBondContact O-N 3.14Å; K92-Y96 VanDerWaalsContact O-N 3.13Å
93	M	81	Confident	77.5	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-68.7	-56.5	173.7	-77	169.2	-177.6	0	0	111.1	Y48 F73 L76 I82 T89 M90 Q91 K95 Y96 I97	Y48-M93 VanDerWaalsContact CB-CE 3.46Å; Y48-M93 HydrophobicContact CD1-CE 3.77Å; Y48-M93 HydrophobicContact CD2-CE 3.67Å; Y48-M93 HydrophobicContact CD2-CG 3.5Å; Y48-M93 VanDerWaalsContact CD2-CG 3.5Å; Y48-M93 HydrophobicContact CD2-SD 4.38Å; Y48-M93 HydrophobicContact CE1-CE 4.41Å; Y48-M93 HydrophobicContact CE1-CG 4.4Å; Y48-M93 HydrophobicContact CE2-CB 4.22Å; Y48-M93 HydrophobicContact CE2-CE 4.35Å; Y48-M93 HydrophobicContact CE2-CG 3.36Å; Y48-M93 HydrophobicContact CG-CE 3.33Å; Y48-M93 HydrophobicContact CG-CG 4.1Å; F73-M93 HydrophobicContact CE1-SD 3.72Å; F73-M93 HydrophobicContact CZ-SD 4.19Å; L76-M93 HydrophobicContact CD1-CE 3.58Å; L76-M93 HydrophobicContact CD1-SD 4.15Å; L76-M93 HydrophobicContact CD2-CE 4.15Å; L76-M93 HydrophobicContact CG-CE 4.48Å; I82-M93 HydrophobicContact CD1-CE 3.96Å; I82-M93 HydrophobicContact CD1-SD 3.6Å; I82-M93 VanDerWaalsContact CD1-SD 3.6Å; T89-M93 HydrophobicContact CG2-CE 3.69Å; T89-M93 HydrophobicContact CG2-SD 4.37Å; T89-M93 WeakPolarHBondContact O-CG 3.44Å; T89-M93 PolarHBondContact O-N 3.33Å; M90-M93 WeakPolarHBondContact O-CB 3.45Å; M90-M93 PolarHBondContact O-N 3.36Å; M90-M93 VanDerWaalsContact O-N 3.07Å; Q91-M93 VanDerWaalsContact C-N 3.32Å; Q91-M93 PolarHBondContact O-N 3.15Å; M93-K95 PolarHBondContact O-N 3.27Å; M93-Y96 WeakPolarHBondContact O-CA 3.45Å; M93-Y96 WeakPolarHBondContact O-CB 3.4Å; M93-Y96 PolarHBondContact O-N 3.22Å; M93-I97 WeakPolarHBondContact O-CD1 3.37Å; M93-I97 VanDerWaalsContact O-CG1 3.23Å; M93-I97 WeakPolarHBondContact O-CG1 3.26Å; M93-I97 PolarHBondContact O-N 2.91Å
94	L	82.7	Confident	77.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-54.5	-41.2	178.9	-67.4	173.2	0	0	0	111.8	I32 L36 M90 Y96 I97 D98 R99 V102 L103	I32-L94 HydrophobicContact CG2-CD2 4.11Å; L36-L94 HydrophobicContact CD1-CD2 4.13Å; L36-L94 HydrophobicContact CD2-CD2 4.03Å; M90-L94 HydrophobicContact CG-CD1 4.23Å; M90-L94 HydrophobicContact CG-CG 4.48Å; M90-L94 PolarHBondContact O-N 2.99Å; M90-L94 HydrophobicContact SD-CG 4.28Å; L94-Y96 PolarHBondContact O-N 2.89Å; L94-I97 PolarHBondContact O-N 3.11Å; L94-D98 PolarHBondContact O-N 3.14Å; L94-R99 PolarHBondContact O-N 2.95Å; L94-V102 HydrophobicContact CD1-CB 4.23Å; L94-V102 HydrophobicContact CD1-CG1 3.99Å; L94-V102 HydrophobicContact CD2-CB 4.12Å; L94-V102 HydrophobicContact CD2-CG1 4.12Å; L94-L103 HydrophobicContact CB-CD2 3.98Å; L94-L103 HydrophobicContact CB-CG 4.46Å; L94-L103 HydrophobicContact CD1-CD2 3.92Å
95	K	83.8	Confident	77.4	Confident	156 Å²	156	68.5 Å²	68.5	68%	0.678	33%	0.325	S	S	*	.	H	α-helix	trans	-66.9	-31.1	174.5	-173.8	166.1	-175	163.8	0	114.4	Q91 M93 D98	Q91-K95 VanDerWaalsContact O-CB 3.24Å; Q91-K95 WeakPolarHBondContact O-CB 3.26Å; Q91-K95 PolarHBondContact O-N 3.15Å; M93-K95 PolarHBondContact O-N 3.27Å; K95-D98 PolarHBondContact O-N 3.08Å
96	Y	84.8	Confident	77.4	Confident	116 Å²	116	63.6 Å²	63.6	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-75.2	-29.6	175.3	173.3	-98.6	0	0	0	112.8	K47 K92 M93 L94	K47-Y96 HydrophobicContact CB-CD1 3.88Å; K47-Y96 HydrophobicContact CB-CE1 3.38Å; K47-Y96 HydrophobicContact CB-CE2 4.45Å; K47-Y96 HydrophobicContact CD-CD2 4.44Å; K47-Y96 HydrophobicContact CD-CE1 4.29Å; K47-Y96 HydrophobicContact CD-CE2 3.82Å; K47-Y96 HydrophobicContact CG-CD1 3.83Å; K47-Y96 HydrophobicContact CG-CD2 4.03Å; K47-Y96 HydrophobicContact CG-CE1 3.57Å; K47-Y96 HydrophobicContact CG-CE2 3.77Å; K47-Y96 HydrophobicContact CG-CG 4.05Å; K92-Y96 WeakPolarHBondContact O-CB 3.45Å; K92-Y96 PolarHBondContact O-N 3.14Å; K92-Y96 VanDerWaalsContact O-N 3.13Å; M93-Y96 WeakPolarHBondContact O-CA 3.45Å; M93-Y96 WeakPolarHBondContact O-CB 3.4Å; M93-Y96 PolarHBondContact O-N 3.22Å; L94-Y96 PolarHBondContact O-N 2.89Å
97	I	84.1	Confident	77.1	Confident	15 Å²	15	65.3 Å²	65.3	8%	0.077	30%	0.3	C	S	.	.	H	α-helix	trans	-79.3	-11.1	175.7	-51.9	159.3	0	0	0	110.9	L36 D40 A44 M93 L94 R99	L36-I97 HydrophobicContact CD1-CD1 4.28Å; L36-I97 HydrophobicContact CD2-CD1 4.34Å; D40-I97 HydrophobicContact CB-CG2 3.42Å; D40-I97 VanDerWaalsContact CB-CG2 3.42Å; A44-I97 HydrophobicContact CB-CD1 3.73Å; A44-I97 HydrophobicContact CB-CG1 4.04Å; M93-I97 WeakPolarHBondContact O-CD1 3.37Å; M93-I97 VanDerWaalsContact O-CG1 3.23Å; M93-I97 WeakPolarHBondContact O-CG1 3.26Å; M93-I97 PolarHBondContact O-N 2.91Å; L94-I97 PolarHBondContact O-N 3.11Å; I97-R99 VanDerWaalsContact C-N 3.25Å; I97-R99 HydrophobicContact CB-CB 4.47Å; I97-R99 HydrophobicContact CB-CG 4.08Å; I97-R99 HydrophobicContact CG2-CB 4.39Å; I97-R99 HydrophobicContact CG2-CG 3.5Å; I97-R99 PolarHBondContact O-N 3.19Å
98	D	81.9	Confident	76.5	Confident	109 Å²	109	68.1 Å²	68.1	58%	0.583	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	27.7	-169.1	-156.6	25.5	0	0	0	114.1	L94 K95 Q100	L94-D98 PolarHBondContact O-N 3.14Å; K95-D98 PolarHBondContact O-N 3.08Å; D98-Q100 PolarHBondContact O-N 3.49Å; D98-Q100 VanDerWaalsContact O-N 3.13Å; D98-Q100 PolarHBondContact OD1-NE2 2.89Å
99	R	78.9	Confident	75.6	Confident	52 Å²	52	62.4 Å²	62.4	20%	0.196	30%	0.301	C	S	.	.			trans	-91	59.5	176.8	-66.5	-62.7	-55	-84.5	-6.1	111.1	K35 L36 D40 L94 I97 D101 V102	K35-R99 PolarHBondContact O-NH1 2.88Å; K35-R99 PolarHBondContact O-NH2 3.47Å; L36-R99 HydrophobicContact CD2-CB 3.96Å; L36-R99 HydrophobicContact CD2-CG 3.73Å; D40-R99 IonicContact OD2-NH1 2.71Å; D40-R99 PolarHBondContact OD2-NH1 3.15Å; L94-R99 PolarHBondContact O-N 2.95Å; I97-R99 VanDerWaalsContact C-N 3.25Å; I97-R99 HydrophobicContact CB-CB 4.47Å; I97-R99 HydrophobicContact CB-CG 4.08Å; I97-R99 HydrophobicContact CG2-CB 4.39Å; I97-R99 HydrophobicContact CG2-CG 3.5Å; I97-R99 PolarHBondContact O-N 3.19Å; R99-D101 WeakPolarHBondContact CA-OD1 3.14Å; R99-D101 WeakPolarHBondContact CB-OD1 3.24Å; R99-D101 IonicContact CZ-OD1 3.58Å; R99-D101 IonicContact CZ-OD2 3.67Å; R99-D101 IonicContact NE-OD1 2.73Å; R99-D101 PolarHBondContact NE-OD1 2.91Å; R99-D101 IonicContact NE-OD2 3.64Å; R99-D101 PolarHBondContact NE-OD2 2.75Å; R99-D101 IonicContact NH2-OD1 3.17Å; R99-D101 IonicContact NH2-OD2 3.91Å; R99-D101 PolarHBondContact NH2-OD2 3.21Å; R99-D101 PolarHBondContact O-N 2.86Å; R99-V102 HydrophobicContact CB-CG2 4.22Å; R99-V102 PolarHBondContact O-N 3.25Å
100	Q	75.1	Confident	74.8	Confident	122 Å²	122	62.8 Å²	62.8	57%	0.57	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22.8	178.5	-58.5	-174.6	55.7	0	0	112	D98 V102 L103 P104	D98-Q100 PolarHBondContact O-N 3.49Å; D98-Q100 VanDerWaalsContact O-N 3.13Å; D98-Q100 PolarHBondContact OD1-NE2 2.89Å; Q100-V102 PolarHBondContact O-N 3.03Å; Q100-L103 PolarHBondContact O-N 3.4Å; Q100-P104 VanDerWaalsContact O-CD 3.29Å; Q100-P104 WeakPolarHBondContact O-CD 3.37Å
101	D	76.2	Confident	73.8	Confident	84 Å²	84	68 Å²	68	45%	0.449	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-59.2	-25.1	172.4	62.4	-58.1	0	0	0	113.9	R99 Y105	R99-D101 WeakPolarHBondContact CA-OD1 3.14Å; R99-D101 WeakPolarHBondContact CB-OD1 3.24Å; R99-D101 IonicContact CZ-OD1 3.58Å; R99-D101 IonicContact CZ-OD2 3.67Å; R99-D101 IonicContact NE-OD1 2.73Å; R99-D101 PolarHBondContact NE-OD1 2.91Å; R99-D101 IonicContact NE-OD2 3.64Å; R99-D101 PolarHBondContact NE-OD2 2.75Å; R99-D101 IonicContact NH2-OD1 3.17Å; R99-D101 IonicContact NH2-OD2 3.91Å; R99-D101 PolarHBondContact NH2-OD2 3.21Å; R99-D101 PolarHBondContact O-N 2.86Å; D101-Y105 WeakPolarHBondContact O-CD2 3.3Å; D101-Y105 WeakPolarHBondContact O-CE2 3.42Å
102	V	77	Confident	72.5	Confident	3 Å²	3	70 Å²	70	2%	0.018	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-88.3	-21.1	-178.7	-172.5	0	0	0	0	112.3	I32 L94 R99 Q100 Y105 F106	I32-V102 HydrophobicContact CG1-CG1 4.09Å; I32-V102 HydrophobicContact CG2-CG1 4.22Å; L94-V102 HydrophobicContact CD1-CB 4.23Å; L94-V102 HydrophobicContact CD1-CG1 3.99Å; L94-V102 HydrophobicContact CD2-CB 4.12Å; L94-V102 HydrophobicContact CD2-CG1 4.12Å; R99-V102 HydrophobicContact CB-CG2 4.22Å; R99-V102 PolarHBondContact O-N 3.25Å; Q100-V102 PolarHBondContact O-N 3.03Å; V102-Y105 PolarHBondContact O-N 3.4Å; V102-F106 PolarHBondContact O-N 3.5Å
103	L	73.6	Confident	71.2	Confident	35 Å²	35	66.9 Å²	66.9	18%	0.183	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-41.1	-174.6	-67.5	172.4	0	0	0	114.4	Q91 L94 Q100 Y105 F106 D107	Q91-L103 HydrophobicContact CB-CD2 4.46Å; Q91-L103 HydrophobicContact CG-CD2 4.28Å; L94-L103 HydrophobicContact CB-CD2 3.98Å; L94-L103 HydrophobicContact CB-CG 4.46Å; L94-L103 HydrophobicContact CD1-CD2 3.92Å; Q100-L103 PolarHBondContact O-N 3.4Å; L103-Y105 VanDerWaalsContact C-N 3.29Å; L103-Y105 PolarHBondContact O-N 3Å; L103-F106 VanDerWaalsContact O-CB 3.27Å; L103-F106 WeakPolarHBondContact O-CB 3.29Å; L103-F106 PolarHBondContact O-N 3.46Å; L103-F106 VanDerWaalsContact O-N 3.08Å; L103-D107 PolarHBondContact O-N 2.95Å
104	P	69.7	Low	69.9	Low	78 Å²	78	71.9 Å²	71.9	51%	0.506	35%	0.353	S	S	.	.	H	α-helix	trans	-60.2	-36.8	177.2	-26.2	35.7	0	0	0	113.4	Q100 T108	Q100-P104 VanDerWaalsContact O-CD 3.29Å; Q100-P104 WeakPolarHBondContact O-CD 3.37Å; P104-T108 VanDerWaalsContact O-CB 3.24Å; P104-T108 WeakPolarHBondContact O-CB 3.3Å; P104-T108 PolarHBondContact O-N 3.45Å; P104-T108 PolarHBondContact O-OG1 2.88Å
105	Y	65.1	Low	68.2	Low	135 Å²	135	76.1 Å²	76.1	53%	0.529	37%	0.373	S	S	.	.	H	α-helix	trans	-67.6	-38.7	175	-59.5	-77.9	0	0	0	111.7	W31 D101 V102 L103 I109	W31-Y105 AromaticContact CH2-CD1 3.88Å; W31-Y105 HydrophobicContact CH2-CD1 3.88Å; W31-Y105 HydrophobicContact CH2-CD2 4.03Å; W31-Y105 HydrophobicContact CH2-CE1 4.41Å; W31-Y105 AromaticContact CH2-CG 3.67Å; W31-Y105 HydrophobicContact CH2-CG 3.67Å; W31-Y105 HydrophobicContact CZ3-CD2 4.44Å; W31-Y105 HydrophobicContact CZ3-CG 4.09Å; D101-Y105 WeakPolarHBondContact O-CD2 3.3Å; D101-Y105 WeakPolarHBondContact O-CE2 3.42Å; V102-Y105 PolarHBondContact O-N 3.4Å; L103-Y105 VanDerWaalsContact C-N 3.29Å; L103-Y105 PolarHBondContact O-N 3Å; Y105-I109 WeakPolarHBondContact O-CB 3.42Å; Y105-I109 VanDerWaalsContact O-CG1 3.27Å; Y105-I109 WeakPolarHBondContact O-CG1 3.41Å; Y105-I109 PolarHBondContact O-N 3.27Å
106	F	66.6	Low	66.4	Low	1 Å²	1	72.8 Å²	72.8	0%	0.004	37%	0.369	C	S	.	.	H	α-helix	trans	-60.3	-56.6	175.9	-169.9	-98.7	0	0	0	111.1	Y29 I32 H87 M90 Q91 V102 L103 T108 I109 L110	Y29-F106 HydrophobicContact CE1-CE2 4.19Å; I32-F106 HydrophobicContact CD1-CD2 3.73Å; I32-F106 HydrophobicContact CD1-CE2 4.16Å; H87-F106 HydrophobicContact CB-CE1 3.85Å; H87-F106 HydrophobicContact CB-CZ 3.63Å; M90-F106 HydrophobicContact CB-CE2 4.06Å; M90-F106 HydrophobicContact CB-CZ 4.03Å; M90-F106 HydrophobicContact CG-CD2 4.41Å; M90-F106 HydrophobicContact CG-CE2 3.68Å; M90-F106 HydrophobicContact CG-CZ 4.14Å; Q91-F106 HydrophobicContact CG-CD1 3.79Å; Q91-F106 HydrophobicContact CG-CE1 3.38Å; Q91-F106 HydrophobicContact CG-CZ 4.17Å; V102-F106 PolarHBondContact O-N 3.5Å; L103-F106 VanDerWaalsContact O-CB 3.27Å; L103-F106 WeakPolarHBondContact O-CB 3.29Å; L103-F106 PolarHBondContact O-N 3.46Å; L103-F106 VanDerWaalsContact O-N 3.08Å; F106-T108 VanDerWaalsContact C-N 3.3Å; F106-T108 PolarHBondContact O-N 3Å; F106-I109 PolarHBondContact O-N 2.87Å; F106-L110 HydrophobicContact CD1-CD1 3.69Å; F106-L110 HydrophobicContact CD1-CG 4.46Å; F106-L110 HydrophobicContact CE1-CD1 3.29Å; F106-L110 HydrophobicContact CE1-CG 4.38Å; F106-L110 HydrophobicContact CE2-CD1 4.44Å; F106-L110 HydrophobicContact CG-CD1 4.41Å; F106-L110 HydrophobicContact CZ-CD1 3.75Å; F106-L110 WeakPolarHBondContact O-CB 3.37Å; F106-L110 VanDerWaalsContact O-CG 3.32Å; F106-L110 WeakPolarHBondContact O-CG 3.46Å; F106-L110 PolarHBondContact O-N 3Å
107	D	65.5	Low	64.5	Low	81 Å²	81	74.1 Å²	74.1	43%	0.433	38%	0.384	S	S	.	.	H	α-helix	trans	-66.3	-33.3	-177.3	-62	-25.9	0	0	0	111.5	Q91 L103 Y111	Q91-D107 PolarHBondContact NE2-OD1 2.8Å; L103-D107 PolarHBondContact O-N 2.95Å; D107-Y111 VanDerWaalsContact O-CB 3.29Å; D107-Y111 WeakPolarHBondContact O-CB 3.48Å; D107-Y111 PolarHBondContact O-N 3.39Å
108	T	60.4	Low	62.7	Low	80 Å²	80	76.3 Å²	76.3	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-66.3	-45.2	174.2	-58.3	0	0	0	0	112.5	P104 F106 Y111 N112	P104-T108 VanDerWaalsContact O-CB 3.24Å; P104-T108 WeakPolarHBondContact O-CB 3.3Å; P104-T108 PolarHBondContact O-N 3.45Å; P104-T108 PolarHBondContact O-OG1 2.88Å; F106-T108 VanDerWaalsContact C-N 3.3Å; F106-T108 PolarHBondContact O-N 3Å; T108-Y111 PolarHBondContact O-N 2.9Å; T108-N112 PolarHBondContact O-N 2.98Å; T108-N112 VanDerWaalsContact O-N 3.15Å; T108-N112 PolarHBondContact O-ND2 2.99Å
109	I	60.3	Low	61.2	Low	49 Å²	49	73.5 Å²	73.5	25%	0.251	39%	0.389	S	S	.	.	H	α-helix	trans	-69.4	-40.1	-179.8	-66.5	166.5	0	0	0	110.1	L28 Y105 F106 N112 T113	L28-I109 HydrophobicContact CD1-CB 4.25Å; L28-I109 HydrophobicContact CD1-CD1 3.72Å; L28-I109 HydrophobicContact CD1-CG2 4.07Å; L28-I109 HydrophobicContact CD2-CG2 4.21Å; Y105-I109 WeakPolarHBondContact O-CB 3.42Å; Y105-I109 VanDerWaalsContact O-CG1 3.27Å; Y105-I109 WeakPolarHBondContact O-CG1 3.41Å; Y105-I109 PolarHBondContact O-N 3.27Å; F106-I109 PolarHBondContact O-N 2.87Å; I109-N112 PolarHBondContact O-N 3.28Å; I109-T113 PolarHBondContact O-N 2.91Å; I109-T113 PolarHBondContact O-OG1 3.07Å
110	L	62.3	Low	59.7	Low	18 Å²	18	75.9 Å²	75.9	9%	0.094	41%	0.405	C	S	.	.	H	α-helix	trans	-66.2	-35.5	175	-66.1	-174.4	0	0	0	113.3	L28 H87 F106 N112 T113 N114	L28-L110 HydrophobicContact CD2-CD2 4.01Å; H87-L110 HydrophobicContact CB-CD1 3.83Å; H87-L110 VanDerWaalsContact CD2-CD1 3.43Å; H87-L110 WeakPolarHBondContact CD2-CD1 3.46Å; H87-L110 VanDerWaalsContact NE2-CD2 3.27Å; H87-L110 WeakPolarHBondContact NE2-CD2 3.48Å; F106-L110 HydrophobicContact CD1-CD1 3.69Å; F106-L110 HydrophobicContact CD1-CG 4.46Å; F106-L110 HydrophobicContact CE1-CD1 3.29Å; F106-L110 HydrophobicContact CE1-CG 4.38Å; F106-L110 HydrophobicContact CE2-CD1 4.44Å; F106-L110 HydrophobicContact CG-CD1 4.41Å; F106-L110 HydrophobicContact CZ-CD1 3.75Å; F106-L110 WeakPolarHBondContact O-CB 3.37Å; F106-L110 VanDerWaalsContact O-CG 3.32Å; F106-L110 WeakPolarHBondContact O-CG 3.46Å; F106-L110 PolarHBondContact O-N 3Å; L110-N112 VanDerWaalsContact C-N 3.34Å; L110-T113 PolarHBondContact O-OG1 3.29Å; L110-N114 WeakPolarHBondContact O-CB 3.43Å; L110-N114 PolarHBondContact O-N 3.36Å; L110-N114 VanDerWaalsContact O-N 3.11Å; L110-N114 PolarHBondContact O-ND2 2.98Å
111	Y	57.3	Low	58.8	Low	109 Å²	109	77.6 Å²	77.6	43%	0.427	41%	0.413	S	S	.	.	H	α-helix	trans	-60.1	-47.1	172.1	-175.3	-80.6	0	0	0	110.4	D107 T108 N114 H115 K130	D107-Y111 VanDerWaalsContact O-CB 3.29Å; D107-Y111 WeakPolarHBondContact O-CB 3.48Å; D107-Y111 PolarHBondContact O-N 3.39Å; T108-Y111 PolarHBondContact O-N 2.9Å; Y111-N114 PolarHBondContact O-N 2.79Å; Y111-H115 AromaticContact CD1-ND1 3.68Å; Y111-H115 AromaticContact CD2-CE1 3.41Å; Y111-H115 VanDerWaalsContact CD2-CE1 3.41Å; Y111-H115 WeakPolarHBondContact CD2-CE1 3.38Å; Y111-H115 AromaticContact CD2-ND1 3.73Å; Y111-H115 AromaticContact CE1-ND1 3.7Å; Y111-H115 AromaticContact CE2-CE1 3.25Å; Y111-H115 WeakPolarHBondContact CE2-CE1 3.24Å; Y111-H115 AromaticContact CE2-ND1 3.77Å; Y111-H115 AromaticContact CE2-NE2 3.75Å; Y111-H115 AromaticContact CG-CE1 3.87Å; Y111-H115 AromaticContact CG-ND1 3.68Å; Y111-H115 AromaticContact CZ-CE1 3.57Å; Y111-H115 AromaticContact CZ-ND1 3.75Å; Y111-H115 AromaticContact CZ-NE2 3.82Å; Y111-H115 PolarHBondContact O-N 2.9Å; Y111-H115 VanDerWaalsContact O-N 3.12Å; Y111-H115 PolarHBondContact O-ND1 2.85Å; Y111-K130 PolarHBondContact OH-NZ 3.04Å
112	N	54.2	Low	57.9	Low	110 Å²	110	79 Å²	79	59%	0.588	42%	0.416	S	S	*	.	H	α-helix	trans	-67.5	-35.4	-179.2	-76.6	-71.2	0	0	0	113.7	T108 I109 L110	T108-N112 PolarHBondContact O-N 2.98Å; T108-N112 VanDerWaalsContact O-N 3.15Å; T108-N112 PolarHBondContact O-ND2 2.99Å; I109-N112 PolarHBondContact O-N 3.28Å; L110-N112 VanDerWaalsContact C-N 3.34Å
113	T	55.5	Low	56.8	Low	51 Å²	51	81.8 Å²	81.8	31%	0.313	43%	0.431	S	S	.	.	H	α-helix	trans	-72.2	-39.9	176.4	54.3	0	0	0	0	112.3	I109 L110 S116	I109-T113 PolarHBondContact O-N 2.91Å; I109-T113 PolarHBondContact O-OG1 3.07Å; L110-T113 PolarHBondContact O-OG1 3.29Å; T113-S116 WeakPolarHBondContact O-CB 3.48Å; T113-S116 PolarHBondContact O-OG 3.23Å
114	N	52.2	Low	55.8	Low	105 Å²	105	85.6 Å²	85.6	56%	0.561	45%	0.448	S	S	*	.	H	α-helix	trans	-76.3	-31.8	-176.4	-75.1	-80.3	0	0	0	113.8	L110 Y111 S116	L110-N114 WeakPolarHBondContact O-CB 3.43Å; L110-N114 PolarHBondContact O-N 3.36Å; L110-N114 VanDerWaalsContact O-N 3.11Å; L110-N114 PolarHBondContact O-ND2 2.98Å; Y111-N114 PolarHBondContact O-N 2.79Å; N114-S116 PolarHBondContact O-N 3.37Å
115	H	48.3	Very low	55.7	Low	90 Å²	90	88.3 Å²	88.3	42%	0.417	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-82.3	12.5	178.4	-67	83.3	0	0	0	114.1	Y111 N117	Y111-H115 AromaticContact CD1-ND1 3.68Å; Y111-H115 AromaticContact CD2-CE1 3.41Å; Y111-H115 VanDerWaalsContact CD2-CE1 3.41Å; Y111-H115 WeakPolarHBondContact CD2-CE1 3.38Å; Y111-H115 AromaticContact CD2-ND1 3.73Å; Y111-H115 AromaticContact CE1-ND1 3.7Å; Y111-H115 AromaticContact CE2-CE1 3.25Å; Y111-H115 WeakPolarHBondContact CE2-CE1 3.24Å; Y111-H115 AromaticContact CE2-ND1 3.77Å; Y111-H115 AromaticContact CE2-NE2 3.75Å; Y111-H115 AromaticContact CG-CE1 3.87Å; Y111-H115 AromaticContact CG-ND1 3.68Å; Y111-H115 AromaticContact CZ-CE1 3.57Å; Y111-H115 AromaticContact CZ-ND1 3.75Å; Y111-H115 AromaticContact CZ-NE2 3.82Å; Y111-H115 PolarHBondContact O-N 2.9Å; Y111-H115 VanDerWaalsContact O-N 3.12Å; Y111-H115 PolarHBondContact O-ND1 2.85Å; H115-N117 PolarHBondContact O-N 3.34Å
116	S	46.5	Very low	55.3	Low	86 Å²	86	85 Å²	85	60%	0.601	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-70.5	-6.1	179.7	55.9	0	0	0	0	114.9	T113 N114	T113-S116 WeakPolarHBondContact O-CB 3.48Å; T113-S116 PolarHBondContact O-OG 3.23Å; N114-S116 PolarHBondContact O-N 3.37Å
117	N	44	Very low	54.7	Low	144 Å²	144	88.9 Å²	88.9	77%	0.77	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-119	10.1	-174.3	-60.7	-56.4	0	0	0	114.8	H115	H115-N117 PolarHBondContact O-N 3.34Å
118	C	45.8	Very low	54.7	Low	60 Å²	60	89.1 Å²	89.1	41%	0.405	47%	0.467	S	S	.	.			trans	-66.9	139.4	178.8	-64.3	0	0	0	0	111.8
119	S	51.7	Low	54.9	Low	50 Å²	50	89.1 Å²	89.1	35%	0.35	46%	0.464	S	S	.	.			trans	-70.7	160.8	172.9	68.8	0	0	0	0	112	E121 E122 L123	S119-E121 VanDerWaalsContact C-N 3.29Å; S119-E121 PolarHBondContact O-N 2.92Å; S119-E122 VanDerWaalsContact CB-OE2 3.28Å; S119-E122 WeakPolarHBondContact CB-OE2 3.21Å; S119-E122 PolarHBondContact N-OE2 3.02Å; S119-E122 PolarHBondContact O-N 3.29Å; S119-E122 WeakPolarHBondContact OG-CB 3.31Å; S119-E122 VanDerWaalsContact OG-CD 3.23Å; S119-E122 WeakPolarHBondContact OG-CG 3.38Å; S119-E122 PolarHBondContact OG-N 2.89Å; S119-E122 PolarHBondContact OG-OE2 3.28Å; S119-L123 WeakPolarHBondContact O-CB 3.1Å; S119-L123 PolarHBondContact O-N 3.12Å
120	L	47.1	Very low	54.7	Low	103 Å²	103	92.1 Å²	92.1	54%	0.539	48%	0.475	S	S	.	.	H	α-helix	trans	-59.8	-40.1	179.4	-178.5	62.4	0	0	0	112	L123 Q124	L120-L123 PolarHBondContact O-N 2.95Å; L120-Q124 VanDerWaalsContact O-CB 3.25Å; L120-Q124 WeakPolarHBondContact O-CB 3.45Å; L120-Q124 PolarHBondContact O-N 3.07Å
121	E	56.7	Low	54.7	Low	158 Å²	158	95.1 Å²	95.1	74%	0.738	49%	0.494	S	S	*	.	H	α-helix	trans	-70.2	-43.2	-178.9	-64.8	170.5	-165.3	0	0	111.8	S119 Q124 K125	S119-E121 VanDerWaalsContact C-N 3.29Å; S119-E121 PolarHBondContact O-N 2.92Å; E121-Q124 PolarHBondContact O-N 3.38Å; E121-K125 VanDerWaalsContact O-CB 3.32Å; E121-K125 WeakPolarHBondContact O-CB 3.42Å; E121-K125 PolarHBondContact O-N 3.15Å
122	E	56.2	Low	54.8	Low	112 Å²	112	93.8 Å²	93.8	52%	0.523	49%	0.494	S	S	.	.	H	α-helix	trans	-64	-42.1	173.2	-70	166.8	126.6	0	0	111.6	S119 K125 V126	S119-E122 VanDerWaalsContact CB-OE2 3.28Å; S119-E122 WeakPolarHBondContact CB-OE2 3.21Å; S119-E122 PolarHBondContact N-OE2 3.02Å; S119-E122 PolarHBondContact O-N 3.29Å; S119-E122 WeakPolarHBondContact OG-CB 3.31Å; S119-E122 VanDerWaalsContact OG-CD 3.23Å; S119-E122 WeakPolarHBondContact OG-CG 3.38Å; S119-E122 PolarHBondContact OG-N 2.89Å; S119-E122 PolarHBondContact OG-OE2 3.28Å; E122-K125 PolarHBondContact O-N 3.38Å; E122-V126 WeakPolarHBondContact O-CB 3.2Å; E122-V126 VanDerWaalsContact O-CG2 3.27Å; E122-V126 WeakPolarHBondContact O-CG2 3.17Å; E122-V126 PolarHBondContact O-N 3.37Å
123	L	53	Low	55.3	Low	62 Å²	62	91.5 Å²	91.5	33%	0.325	48%	0.484	S	S	.	.	H	α-helix	trans	-65.5	-44.2	178	-169.8	72.9	0	0	0	111	S119 L120 V126 L127	S119-L123 WeakPolarHBondContact O-CB 3.1Å; S119-L123 PolarHBondContact O-N 3.12Å; L120-L123 PolarHBondContact O-N 2.95Å; L123-V126 PolarHBondContact O-N 3Å; L123-L127 HydrophobicContact CG-CD1 4.06Å; L123-L127 WeakPolarHBondContact O-CB 3.27Å; L123-L127 VanDerWaalsContact O-CG 3.24Å; L123-L127 WeakPolarHBondContact O-CG 3.41Å; L123-L127 PolarHBondContact O-N 2.89Å
124	Q	53.7	Low	55.4	Low	116 Å²	116	94.7 Å²	94.7	54%	0.542	49%	0.494	S	S	.	.	H	α-helix	trans	-59.8	-46.6	174.8	179.4	171.3	0.6	0	0	110.9	L120 E121 L127 L128	L120-Q124 VanDerWaalsContact O-CB 3.25Å; L120-Q124 WeakPolarHBondContact O-CB 3.45Å; L120-Q124 PolarHBondContact O-N 3.07Å; E121-Q124 PolarHBondContact O-N 3.38Å; Q124-L127 PolarHBondContact O-N 3.11Å; Q124-L128 HydrophobicContact CG-CD1 3.8Å; Q124-L128 WeakPolarHBondContact O-CB 3.31Å; Q124-L128 PolarHBondContact O-N 2.83Å
125	K	67	Low	55.7	Low	135 Å²	135	94.1 Å²	94.1	59%	0.587	49%	0.49	S	S	*	.	H	α-helix	trans	-62.8	-48.5	177.1	-174.2	174.7	179.7	178.7	0	112.2	E121 E122 L127 L128 D129	E121-K125 VanDerWaalsContact O-CB 3.32Å; E121-K125 WeakPolarHBondContact O-CB 3.42Å; E121-K125 PolarHBondContact O-N 3.15Å; E122-K125 PolarHBondContact O-N 3.38Å; K125-L127 VanDerWaalsContact C-N 3.26Å; K125-L127 PolarHBondContact O-N 2.95Å; K125-L128 PolarHBondContact O-N 3.28Å; K125-D129 WeakPolarHBondContact O-CB 3.44Å; K125-D129 VanDerWaalsContact O-CG 3.26Å; K125-D129 PolarHBondContact O-N 2.99Å
126	V	57.5	Low	56.5	Low	64 Å²	64	95.6 Å²	95.6	39%	0.388	50%	0.497	S	S	.	.	H	α-helix	trans	-64.7	-29.6	178.9	169.2	0	0	0	0	112.2	E122 L123 K130	E122-V126 WeakPolarHBondContact O-CB 3.2Å; E122-V126 VanDerWaalsContact O-CG2 3.27Å; E122-V126 WeakPolarHBondContact O-CG2 3.17Å; E122-V126 PolarHBondContact O-N 3.37Å; L123-V126 PolarHBondContact O-N 3Å; V126-K130 HydrophobicContact CG1-CD 4.05Å; V126-K130 VanDerWaalsContact O-CB 3.29Å; V126-K130 WeakPolarHBondContact O-CB 3.3Å; V126-K130 WeakPolarHBondContact O-CD 3.27Å; V126-K130 WeakPolarHBondContact O-CG 3.28Å; V126-K130 PolarHBondContact O-N 3.06Å; V126-K130 VanDerWaalsContact O-N 3.09Å
127	L	54.4	Low	57.1	Low	84 Å²	84	98.6 Å²	98.6	44%	0.44	50%	0.496	S	S	.	.	H	α-helix	trans	-75.5	-43.4	173	-73.6	170.2	0	0	0	112.2	L123 Q124 K125 K130 V131	L123-L127 HydrophobicContact CG-CD1 4.06Å; L123-L127 WeakPolarHBondContact O-CB 3.27Å; L123-L127 VanDerWaalsContact O-CG 3.24Å; L123-L127 WeakPolarHBondContact O-CG 3.41Å; L123-L127 PolarHBondContact O-N 2.89Å; Q124-L127 PolarHBondContact O-N 3.11Å; K125-L127 VanDerWaalsContact C-N 3.26Å; K125-L127 PolarHBondContact O-N 2.95Å; L127-K130 PolarHBondContact O-N 3.12Å; L127-V131 WeakPolarHBondContact O-CB 3.11Å; L127-V131 VanDerWaalsContact O-CG2 3.29Å; L127-V131 WeakPolarHBondContact O-CG2 3.33Å; L127-V131 PolarHBondContact O-N 3.32Å
128	L	64.6	Low	57.7	Low	86 Å²	86	94.6 Å²	94.6	45%	0.45	48%	0.48	S	S	.	.	H	α-helix	trans	-61.1	-47.3	172.9	-94.6	139.8	0	0	0	111.4	Q124 K125 K130 V131 N132	Q124-L128 HydrophobicContact CG-CD1 3.8Å; Q124-L128 WeakPolarHBondContact O-CB 3.31Å; Q124-L128 PolarHBondContact O-N 2.83Å; K125-L128 PolarHBondContact O-N 3.28Å; L128-K130 PolarHBondContact O-N 3.24Å; L128-V131 PolarHBondContact O-N 2.91Å; L128-N132 WeakPolarHBondContact O-CB 3.45Å; L128-N132 PolarHBondContact O-N 3.08Å; L128-N132 PolarHBondContact O-ND2 3.14Å
129	D	65	Low	58.4	Low	80 Å²	80	96.3 Å²	96.3	43%	0.428	49%	0.493	S	S	.	.	H	α-helix	trans	-57.7	-47.4	175.3	-70.5	-15.2	0	0	0	110.6	K125 V133	K125-D129 WeakPolarHBondContact O-CB 3.44Å; K125-D129 VanDerWaalsContact O-CG 3.26Å; K125-D129 PolarHBondContact O-N 2.99Å; D129-V133 WeakPolarHBondContact O-CB 3.43Å; D129-V133 WeakPolarHBondContact O-CG2 3.33Å; D129-V133 PolarHBondContact O-N 3.48Å
130	K	56.3	Low	58.6	Low	111 Å²	111	98.5 Å²	98.5	48%	0.483	50%	0.504	S	S	.	.	H	α-helix	trans	-67.6	-36.1	179.1	-76.9	173.2	-178.9	173.3	0	113.9	Y111 V126 L127 L128 F134	Y111-K130 PolarHBondContact OH-NZ 3.04Å; V126-K130 HydrophobicContact CG1-CD 4.05Å; V126-K130 VanDerWaalsContact O-CB 3.29Å; V126-K130 WeakPolarHBondContact O-CB 3.3Å; V126-K130 WeakPolarHBondContact O-CD 3.27Å; V126-K130 WeakPolarHBondContact O-CG 3.28Å; V126-K130 PolarHBondContact O-N 3.06Å; V126-K130 VanDerWaalsContact O-N 3.09Å; L127-K130 PolarHBondContact O-N 3.12Å; L128-K130 PolarHBondContact O-N 3.24Å; K130-F134 VanDerWaalsContact O-CB 3.31Å; K130-F134 WeakPolarHBondContact O-CB 3.35Å; K130-F134 PolarHBondContact O-N 2.85Å
131	V	61.4	Low	58.6	Low	81 Å²	81	96.9 Å²	96.9	49%	0.491	50%	0.496	S	S	.	.	H	α-helix	trans	-74.6	-42	177.6	170.6	0	0	0	0	110.8	L127 L128 F134 L135	L127-V131 WeakPolarHBondContact O-CB 3.11Å; L127-V131 VanDerWaalsContact O-CG2 3.29Å; L127-V131 WeakPolarHBondContact O-CG2 3.33Å; L127-V131 PolarHBondContact O-N 3.32Å; L128-V131 PolarHBondContact O-N 2.91Å; V131-F134 PolarHBondContact O-N 3.25Å; V131-L135 HydrophobicContact CG1-CD1 3.96Å; V131-L135 HydrophobicContact CG1-CG 4.45Å; V131-L135 WeakPolarHBondContact O-CB 3.37Å; V131-L135 VanDerWaalsContact O-CG 3.3Å; V131-L135 WeakPolarHBondContact O-CG 3.45Å; V131-L135 PolarHBondContact O-N 2.89Å
132	N	60.7	Low	58.5	Low	82 Å²	82	92 Å²	92	44%	0.439	48%	0.479	S	S	.	.	H	α-helix	trans	-63	-46.6	174.9	-69.3	-15.9	0	0	0	110.9	L128 F134 L135 E136	L128-N132 WeakPolarHBondContact O-CB 3.45Å; L128-N132 PolarHBondContact O-N 3.08Å; L128-N132 PolarHBondContact O-ND2 3.14Å; N132-F134 VanDerWaalsContact C-N 3.3Å; N132-F134 PolarHBondContact O-N 3.01Å; N132-L135 PolarHBondContact O-N 3.25Å; N132-L135 VanDerWaalsContact O-N 3.17Å; N132-E136 VanDerWaalsContact O-CB 3.26Å; N132-E136 WeakPolarHBondContact O-CB 3.32Å; N132-E136 PolarHBondContact O-N 2.62Å
133	V	63.9	Low	58.2	Low	62 Å²	62	94.2 Å²	94.2	38%	0.376	49%	0.489	S	S	.	.	H	α-helix	trans	-62.9	-35.2	175.5	167.5	0	0	0	0	111.9	D129 Y137	D129-V133 WeakPolarHBondContact O-CB 3.43Å; D129-V133 WeakPolarHBondContact O-CG2 3.33Å; D129-V133 PolarHBondContact O-N 3.48Å; V133-Y137 HydrophobicContact CG1-CD2 3.56Å; V133-Y137 HydrophobicContact CG1-CE2 3.35Å; V133-Y137 WeakPolarHBondContact O-CB 3.49Å; V133-Y137 WeakPolarHBondContact O-CD2 3.12Å; V133-Y137 PolarHBondContact O-N 3.36Å
134	F	58	Low	58	Low	117 Å²	117	97.8 Å²	97.8	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-67.4	-43.7	172.5	178.5	-94	0	0	0	112	K130 V131 N132 S138 L224	K130-F134 VanDerWaalsContact O-CB 3.31Å; K130-F134 WeakPolarHBondContact O-CB 3.35Å; K130-F134 PolarHBondContact O-N 2.85Å; V131-F134 PolarHBondContact O-N 3.25Å; N132-F134 VanDerWaalsContact C-N 3.3Å; N132-F134 PolarHBondContact O-N 3.01Å; F134-S138 VanDerWaalsContact O-CB 3.26Å; F134-S138 WeakPolarHBondContact O-CB 3.49Å; F134-S138 PolarHBondContact O-N 3.5Å; F134-S138 PolarHBondContact O-OG 3.46Å; F134-L224 HydrophobicContact CE2-CD2 4.24Å; F134-L224 HydrophobicContact CZ-CD2 3.94Å
135	L	57.9	Low	57.8	Low	93 Å²	93	98.1 Å²	98.1	49%	0.487	51%	0.506	S	S	.	.	H	α-helix	trans	-63.6	-44.9	177.1	-73.4	168.6	0	0	0	111.4	V131 N132 S138 S139	V131-L135 HydrophobicContact CG1-CD1 3.96Å; V131-L135 HydrophobicContact CG1-CG 4.45Å; V131-L135 WeakPolarHBondContact O-CB 3.37Å; V131-L135 VanDerWaalsContact O-CG 3.3Å; V131-L135 WeakPolarHBondContact O-CG 3.45Å; V131-L135 PolarHBondContact O-N 2.89Å; N132-L135 PolarHBondContact O-N 3.25Å; N132-L135 VanDerWaalsContact O-N 3.17Å; L135-S138 WeakPolarHBondContact CA-OG 3.35Å; L135-S138 CarbonylContact O-C 3.58Å; L135-S138 PolarHBondContact O-N 3.2Å; L135-S138 PolarHBondContact O-OG 2.96Å; L135-S139 PolarHBondContact O-N 3.49Å; L135-S139 PolarHBondContact O-OG 3.13Å
136	E	64.7	Low	57.1	Low	121 Å²	121	95.4 Å²	95.4	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-60.5	-51.8	175.7	-174.4	176.7	-159.9	0	0	111.5	N132 S138 S139 T140	N132-E136 VanDerWaalsContact O-CB 3.26Å; N132-E136 WeakPolarHBondContact O-CB 3.32Å; N132-E136 PolarHBondContact O-N 2.62Å; E136-S138 PolarHBondContact O-N 2.57Å; E136-S139 PolarHBondContact O-N 3.17Å; E136-S139 VanDerWaalsContact O-N 3.14Å; E136-S139 PolarHBondContact O-OG 3.02Å; E136-S139 VanDerWaalsContact O-OG 3.08Å; E136-T140 WeakPolarHBondContact O-CG2 3.34Å; E136-T140 PolarHBondContact O-N 3.21Å; E136-T140 PolarHBondContact O-OG1 3.13Å; E136-T140 VanDerWaalsContact O-OG1 3.14Å
137	Y	59.8	Low	56.4	Low	149 Å²	149	98.1 Å²	98.1	58%	0.584	51%	0.508	S	S	*	.	H	α-helix	trans	-59.9	-35.9	173.7	-77.7	-52.5	0	0	0	112.2	V133 T140 L141	V133-Y137 HydrophobicContact CG1-CD2 3.56Å; V133-Y137 HydrophobicContact CG1-CE2 3.35Å; V133-Y137 WeakPolarHBondContact O-CB 3.49Å; V133-Y137 WeakPolarHBondContact O-CD2 3.12Å; V133-Y137 PolarHBondContact O-N 3.36Å; Y137-T140 WeakPolarHBondContact CA-OG1 3.47Å; Y137-T140 PolarHBondContact O-OG1 3.03Å; Y137-T140 VanDerWaalsContact O-OG1 3.11Å; Y137-L141 WeakPolarHBondContact O-CG 3.19Å; Y137-L141 PolarHBondContact O-N 3.36Å
138	S	57	Low	56	Low	61 Å²	61	96.5 Å²	96.5	43%	0.427	50%	0.503	S	S	.	.	H	α-helix	trans	-74.6	-19.2	178	77.1	0	0	0	0	114.9	F134 L135 E136	F134-S138 VanDerWaalsContact O-CB 3.26Å; F134-S138 WeakPolarHBondContact O-CB 3.49Å; F134-S138 PolarHBondContact O-N 3.5Å; F134-S138 PolarHBondContact O-OG 3.46Å; L135-S138 WeakPolarHBondContact CA-OG 3.35Å; L135-S138 CarbonylContact O-C 3.58Å; L135-S138 PolarHBondContact O-N 3.2Å; L135-S138 PolarHBondContact O-OG 2.96Å; E136-S138 PolarHBondContact O-N 2.57Å
139	S	59.3	Low	54.7	Low	96 Å²	96	100.5 Å²	100.5	67%	0.671	52%	0.519	S	S	*	.	H	α-helix	trans	-96.3	-18.9	174.4	62.1	0	0	0	0	113.4	L135 E136	L135-S139 PolarHBondContact O-N 3.49Å; L135-S139 PolarHBondContact O-OG 3.13Å; E136-S139 PolarHBondContact O-N 3.17Å; E136-S139 VanDerWaalsContact O-N 3.14Å; E136-S139 PolarHBondContact O-OG 3.02Å; E136-S139 VanDerWaalsContact O-OG 3.08Å
140	T	56.2	Low	53.8	Low	95 Å²	95	101.8 Å²	101.8	58%	0.583	53%	0.532	S	S	*	.	H	α-helix	trans	-83.3	-14.6	171	56.9	0	0	0	0	114.6	E136 Y137 S142	E136-T140 WeakPolarHBondContact O-CG2 3.34Å; E136-T140 PolarHBondContact O-N 3.21Å; E136-T140 PolarHBondContact O-OG1 3.13Å; E136-T140 VanDerWaalsContact O-OG1 3.14Å; Y137-T140 WeakPolarHBondContact CA-OG1 3.47Å; Y137-T140 PolarHBondContact O-OG1 3.03Å; Y137-T140 VanDerWaalsContact O-OG1 3.11Å; T140-S142 PolarHBondContact O-N 3.42Å
141	L	47.3	Very low	53.1	Low	70 Å²	70	102.4 Å²	102.4	37%	0.366	55%	0.547	S	S	.	.			trans	-72.6	114.2	176.6	-84.5	165.1	0	0	0	110.6	Y137 E145 V146	Y137-L141 WeakPolarHBondContact O-CG 3.19Å; Y137-L141 PolarHBondContact O-N 3.36Å; L141-E145 HydrophobicContact CD2-CB 3.76Å; L141-V146 HydrophobicContact CB-CG2 4.18Å; L141-V146 HydrophobicContact CD2-CG2 4.49Å
142	S	54.1	Low	52.1	Low	55 Å²	55	104.6 Å²	104.6	39%	0.385	55%	0.548	S	S	.	.			trans	-78	163	170.3	76.5	0	0	0	0	111.5	T140 E144 E145 V146	T140-S142 PolarHBondContact O-N 3.42Å; S142-E144 WeakPolarHBondContact CB-OE2 3.38Å; S142-E144 PolarHBondContact O-N 3.46Å; S142-E144 PolarHBondContact OG-OE2 3.32Å; S142-E145 PolarHBondContact O-N 2.99Å; S142-E145 VanDerWaalsContact O-N 3.13Å; S142-V146 PolarHBondContact O-N 2.88Å
143	E	51.6	Low	50.8	Low	159 Å²	159	108.9 Å²	108.9	74%	0.743	57%	0.565	S	S	*	*	H	α-helix	trans	-60.4	-31	-176.7	-162.9	162.9	-175.1	0	0	111.8	E145 V146 H147	E143-E145 PolarHBondContact O-N 3.22Å; E143-V146 PolarHBondContact O-N 2.75Å; E143-H147 PolarHBondContact O-N 3.47Å
144	E	47.8	Very low	49.6	Very low	137 Å²	137	113 Å²	113	64%	0.64	58%	0.583	S	S	*	*	H	α-helix	trans	-74	-21.7	178.4	-44.9	96.5	142.6	0	0	114.6	S142 H147	S142-E144 WeakPolarHBondContact CB-OE2 3.38Å; S142-E144 PolarHBondContact O-N 3.46Å; S142-E144 PolarHBondContact OG-OE2 3.32Å; E144-H147 CarbonylContact O-C 3.59Å
145	E	50	Low	48.5	Very low	123 Å²	123	113.4 Å²	113.4	58%	0.575	59%	0.59	S	S	*	*	H	α-helix	trans	-83.2	-26.5	172.9	-73.9	-145.1	120.3	0	0	112.7	L141 S142 E143 S217	L141-E145 HydrophobicContact CD2-CB 3.76Å; S142-E145 PolarHBondContact O-N 2.99Å; S142-E145 VanDerWaalsContact O-N 3.13Å; E143-E145 PolarHBondContact O-N 3.22Å; E145-S217 PolarHBondContact O-OG 3.28Å; E145-S217 VanDerWaalsContact O-OG 3.06Å
146	V	51.2	Low	47.2	Very low	77 Å²	77	119.9 Å²	119.9	47%	0.467	61%	0.608	S	S	.	*	H	α-helix	trans	-82.7	-41	175.1	-177.3	0	0	0	0	110.8	L141 S142 E143	L141-V146 HydrophobicContact CB-CG2 4.18Å; L141-V146 HydrophobicContact CD2-CG2 4.49Å; S142-V146 PolarHBondContact O-N 2.88Å; E143-V146 PolarHBondContact O-N 2.75Å
147	H	42.9	Very low	45.5	Very low	121 Å²	121	125.7 Å²	125.7	56%	0.56	62%	0.624	S	S	*	*			trans	-126.3	93.2	177.5	-71.2	-72.5	0	0	0	111.2	E143 E144 E149	E143-H147 PolarHBondContact O-N 3.47Å; E144-H147 CarbonylContact O-C 3.59Å; H147-E149 PolarHBondContact O-N 3.37Å
148	P	45.9	Very low	44	Very low	51 Å²	51	126.4 Å²	126.4	33%	0.331	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-67.7	119.9	164.2	-5.3	19.5	0	0	0	108.3	Y152	P148-Y152 HydrophobicContact CB-CE1 4.34Å; P148-Y152 VanDerWaalsContact CB-OH 3.26Å; P148-Y152 WeakPolarHBondContact CB-OH 3.49Å; P148-Y152 WeakPolarHBondContact CD-OH 3.27Å; P148-Y152 VanDerWaalsContact CG-OH 3.29Å; P148-Y152 WeakPolarHBondContact CG-OH 3.29Å; P148-Y152 VanDerWaalsContact O-CE2 3.29Å; P148-Y152 WeakPolarHBondContact O-CE2 3.24Å; P148-Y152 VanDerWaalsContact O-CZ 3.26Å; P148-Y152 PolarHBondContact O-OH 2.88Å
149	E	38.6	Very low	42.8	Very low	170 Å²	170	127.8 Å²	127.8	79%	0.794	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-64.6	148.2	-176.7	-65	-163.6	122.7	0	0	112.7	H147	H147-E149 PolarHBondContact O-N 3.37Å
150	P	44.9	Very low	41.7	Very low	107 Å²	107	130 Å²	130	70%	0.695	65%	0.649	S	S	*	*	S	Bend	trans	-63.3	153.1	165.1	-17.5	31.7	0	0	0	111.6
151	P	41.5	Very low	40.5	Very low	123 Å²	123	133 Å²	133	80%	0.799	66%	0.657	S	S	*	*	P	Polyproline II helix	cis	-91.8	131.3	11.4	33.6	-33.4	0	0	0	113.6	E153	P151-E153 PolarHBondContact O-N 3.48Å
152	Y	41.8	Very low	39.7	Very low	127 Å²	127	133.4 Å²	133.4	50%	0.498	68%	0.679	S	S	.	*			trans	-79	102.8	164.7	-68.1	-104.2	0	0	0	109	P148 I154	P148-Y152 HydrophobicContact CB-CE1 4.34Å; P148-Y152 VanDerWaalsContact CB-OH 3.26Å; P148-Y152 WeakPolarHBondContact CB-OH 3.49Å; P148-Y152 WeakPolarHBondContact CD-OH 3.27Å; P148-Y152 VanDerWaalsContact CG-OH 3.29Å; P148-Y152 WeakPolarHBondContact CG-OH 3.29Å; P148-Y152 VanDerWaalsContact O-CE2 3.29Å; P148-Y152 WeakPolarHBondContact O-CE2 3.24Å; P148-Y152 VanDerWaalsContact O-CZ 3.26Å; P148-Y152 PolarHBondContact O-OH 2.88Å; Y152-I154 VanDerWaalsContact C-N 3.3Å; Y152-I154 PolarHBondContact O-N 2.92Å
153	E	32.3	Very low	38.6	Very low	172 Å²	172	135.6 Å²	135.6	80%	0.804	69%	0.694	S	S	*	*			trans	-61.5	98.2	158.3	-75.3	-159.2	138.3	0	0	108.9	P151 I155	P151-E153 PolarHBondContact O-N 3.48Å; E153-I155 PolarHBondContact O-N 2.9Å
154	I	38	Very low	37.5	Very low	148 Å²	148	138.9 Å²	138.9	76%	0.759	70%	0.699	S	S	*	*			trans	-67.1	90.2	160.6	-58	176.3	0	0	0	105.4	Y152 R156	Y152-I154 VanDerWaalsContact C-N 3.3Å; Y152-I154 PolarHBondContact O-N 2.92Å; I154-R156 VanDerWaalsContact C-N 3.31Å; I154-R156 PolarHBondContact O-N 2.87Å
155	I	35.8	Very low	36.8	Very low	127 Å²	127	138.9 Å²	138.9	65%	0.651	71%	0.708	S	S	*	*			trans	-55.3	100.9	172.2	-61.5	175.3	0	0	0	106.6	E153 R157	E153-I155 PolarHBondContact O-N 2.9Å; I155-R157 VanDerWaalsContact C-N 3.34Å; I155-R157 PolarHBondContact O-N 3.29Å
156	R	30.7	Very low	36.1	Very low	228 Å²	228	138.6 Å²	138.6	86%	0.86	72%	0.715	S	S	*	*			trans	-58.9	101	173.7	-79.3	-178.2	171.1	-178.9	-2.2	106.5	I154 Q158	I154-R156 VanDerWaalsContact C-N 3.31Å; I154-R156 PolarHBondContact O-N 2.87Å; R156-Q158 PolarHBondContact O-N 3.42Å
157	R	28.7	Very low	35.1	Very low	243 Å²	243	146.3 Å²	146.3	92%	0.917	74%	0.736	S	S	*	*			trans	-66.2	85.6	158.9	-73.6	-169	175	-155.3	-2.3	106.4	I155	I155-R157 VanDerWaalsContact C-N 3.34Å; I155-R157 PolarHBondContact O-N 3.29Å
158	Q	27.9	Very low	34.8	Very low	165 Å²	165	148.1 Å²	148.1	77%	0.771	75%	0.749	S	S	*	*			trans	-48.3	131.5	176.9	-167	171.6	13.1	0	0	107.8	R156 V160	R156-Q158 PolarHBondContact O-N 3.42Å; Q158-V160 PolarHBondContact O-N 3.36Å
159	P	32.6	Very low	34.3	Very low	89 Å²	89	150.9 Å²	150.9	58%	0.578	77%	0.769	S	S	*	*			trans	-56.8	131.5	175.5	25	-33.1	0	0	0	108.2	E161	P159-E161 PolarHBondContact O-N 3.33Å
160	V	35.2	Very low	34	Very low	142 Å²	142	150.8 Å²	150.8	86%	0.861	77%	0.773	S	S	*	*			trans	-75.1	91.1	170	178.6	0	0	0	0	106.3	Q158	Q158-V160 PolarHBondContact O-N 3.36Å
161	E	32.4	Very low	33.6	Very low	158 Å²	158	154.1 Å²	154.1	74%	0.738	78%	0.777	S	S	*	*			trans	-56.1	134	-176.5	-138.7	63.2	-116.6	0	0	111	P159	P159-E161 PolarHBondContact O-N 3.33Å
162	G	30.6	Very low	33.4	Very low	80 Å²	80	159 Å²	159	83%	0.825	78%	0.779	S	S	*	*			trans	54.6	69.3	159.3	0	0	0	0	0	118.9
163	S	29.9	Very low	33	Very low	100 Å²	100	161.6 Å²	161.6	70%	0.699	79%	0.793	S	S	*	*			trans	-134.4	104.2	160	-158.6	0	0	0	0	113.7	V165	S163-V165 PolarHBondContact O-N 3.5Å
164	R	28.2	Very low	33	Very low	229 Å²	229	158.4 Å²	158.4	86%	0.864	79%	0.79	S	S	*	*			trans	-74.7	102.4	172.8	-77.7	178.2	171.4	160.7	-3.7	110	T166	R164-T166 PolarHBondContact O-N 3.13Å
165	V	34.1	Very low	32.8	Very low	136 Å²	136	156.4 Å²	156.4	82%	0.824	79%	0.789	S	S	*	*			trans	-81.1	68.4	168.2	-170	0	0	0	0	110.2	S163 R167	S163-V165 PolarHBondContact O-N 3.5Å; V165-R167 PolarHBondContact O-N 2.92Å
166	T	34.4	Very low	32.8	Very low	118 Å²	118	156.8 Å²	156.8	72%	0.724	80%	0.797	S	S	*	*			trans	-70.4	108.6	168.7	38.8	0	0	0	0	109.8	R164 L168	R164-T166 PolarHBondContact O-N 3.13Å; T166-L168 PolarHBondContact O-N 3.46Å; T166-L168 VanDerWaalsContact O-N 3.07Å
167	R	31.9	Very low	32.9	Very low	239 Å²	239	149.5 Å²	149.5	90%	0.902	79%	0.793	S	S	*	*			trans	-78.6	85.7	-178.1	-174.2	-171.6	-178	-172	0.9	111.8	V165	V165-R167 PolarHBondContact O-N 2.92Å
168	L	34.6	Very low	33.1	Very low	158 Å²	158	142.8 Å²	142.8	83%	0.827	78%	0.783	S	S	*	*			trans	-158.3	153.7	161.2	-111.1	171.5	0	0	0	113	T166	T166-L168 PolarHBondContact O-N 3.46Å; T166-L168 VanDerWaalsContact O-N 3.07Å
169	S	35.8	Very low	33.4	Very low	109 Å²	109	141.1 Å²	141.1	76%	0.762	78%	0.784	S	S	*	*			trans	66.9	111.5	164.6	-60.5	0	0	0	0	120.2
170	L	33.4	Very low	33.4	Very low	169 Å²	169	140.3 Å²	140.3	89%	0.885	79%	0.792	S	S	*	*			trans	-75.7	137.5	161.3	-68.4	64.3	0	0	0	110.7
171	K	36.9	Very low	33.1	Very low	177 Å²	177	141.1 Å²	141.1	77%	0.77	79%	0.792	S	S	*	*				-168.3	122.8	129.4	-122.3	164	179.6	170.5	0	112.8
172	R	37.4	Very low	32.9	Very low	224 Å²	224	141.2 Å²	141.2	85%	0.845	80%	0.796	S	S	*	*			trans	38.7	144.6	145	-60	173.5	-178	170.8	-1.9	120.4
173	K	32.8	Very low	33	Very low	183 Å²	183	142.1 Å²	142.1	80%	0.796	80%	0.795	S	S	*	*			cis	179.6	134.6	-14	169	177.4	166.2	-178.7	0	107.3
174	S	32.5	Very low	32.9	Very low	104 Å²	104	142.4 Å²	142.4	73%	0.727	80%	0.797	S	S	*	*			trans	59.9	163.6	173	35.4	0	0	0	0	116.6
175	S	33.4	Very low	33	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	80%	0.799	S	S	*	*			cis	-171.4	177.7	-26.7	53.4	0	0	0	0	107.5
176	V	35.7	Very low	32.8	Very low	135 Å²	135	141.3 Å²	141.3	82%	0.818	80%	0.8	S	S	*	*			cis	-145.9	147.4	13.3	-173.9	0	0	0	0	109.3
177	G	32.3	Very low	32.6	Very low	75 Å²	75	147.9 Å²	147.9	77%	0.773	81%	0.811	S	S	*	*			trans	80.3	152.4	159.5	0	0	0	0	0	116.8
178	S	33.5	Very low	32.4	Very low	102 Å²	102	139.9 Å²	139.9	71%	0.713	80%	0.803	S	S	*	*			cis	-152.7	155.1	-11.9	-170.9	0	0	0	0	110.3
179	T	34.9	Very low	31.9	Very low	129 Å²	129	144.2 Å²	144.2	79%	0.791	81%	0.808	S	S	*	*			trans	22.4	116.9	153.9	50.8	0	0	0	0	118.1
180	G	31.1	Very low	31.7	Very low	72 Å²	72	150.9 Å²	150.9	74%	0.742	82%	0.817	S	S	*	*			cis	173.7	-167.1	10.7	0	0	0	0	0	109.2
181	N	29.9	Very low	31.3	Very low	159 Å²	159	148 Å²	148	85%	0.85	81%	0.811	S	S	*	*			cis	-144.9	162.3	-4.4	-85.1	-30.6	0	0	0	108.4
182	I	27.5	Very low	31	Very low	161 Å²	161	146.6 Å²	146.6	83%	0.826	81%	0.81	S	S	*	*			trans	-137.3	128.7	-177.2	-61.8	174.9	0	0	0	110.8
183	A	32.4	Very low	30.5	Very low	98 Å²	98	142.3 Å²	142.3	81%	0.81	80%	0.804	S	S	*	*			trans	-118	119.3	170.8	0	0	0	0	0	111
184	S	29	Very low	30	Very low	107 Å²	107	138.7 Å²	138.7	75%	0.748	80%	0.802	S	S	*	*			trans	-104.2	109.2	-179.1	-68.2	0	0	0	0	111.9	K186	S184-K186 PolarHBondContact O-N 3.22Å
185	V	29.8	Very low	29.8	Very low	147 Å²	147	138.6 Å²	138.6	89%	0.891	80%	0.801	S	S	*	*			trans	-82.7	82.1	175.2	-173.6	0	0	0	0	110.9	R187	V185-R187 PolarHBondContact O-N 3.35Å
186	K	29.7	Very low	29.5	Very low	195 Å²	195	138.7 Å²	138.7	85%	0.848	80%	0.802	S	S	*	*			trans	-72.2	117.2	171.6	-173.4	178.2	-176.2	178.3	0	109.2	S184 G188	S184-K186 PolarHBondContact O-N 3.22Å; K186-G188 VanDerWaalsContact C-N 3.31Å; K186-G188 PolarHBondContact O-N 2.99Å
187	R	29.8	Very low	29.3	Very low	256 Å²	256	141.5 Å²	141.5	97%	0.966	81%	0.806	S	S	*	*			trans	-71.8	77.8	-174.4	-154.5	179.6	-158.3	-173.3	7	112.4	V185	V185-R187 PolarHBondContact O-N 3.35Å
188	G	27.8	Very low	29	Very low	70 Å²	70	144.7 Å²	144.7	72%	0.722	81%	0.811	S	S	*	*			trans	-75.5	136.9	-178.9	0	0	0	0	0	113.5	K186	K186-G188 VanDerWaalsContact C-N 3.31Å; K186-G188 PolarHBondContact O-N 2.99Å
189	R	25.2	Very low	28.8	Very low	249 Å²	249	143.6 Å²	143.6	94%	0.94	82%	0.815	S	S	*	*			trans	-78.9	121.1	160.9	-86.8	178.3	161.1	-175.2	-6.4	109.2
190	R	30.3	Very low	28.5	Very low	250 Å²	250	146.8 Å²	146.8	94%	0.943	82%	0.821	S	S	*	*			trans	-140.2	157.8	147.9	-75.8	-161.2	171.2	179.7	-2.8	109.7
191	S	25.5	Very low	28.4	Very low	109 Å²	109	149.8 Å²	149.8	76%	0.762	83%	0.825	S	S	*	*			trans	-111.2	-169.5	177.2	-169.5	0	0	0	0	108.9
192	I	30.2	Very low	28.3	Very low	146 Å²	146	146.3 Å²	146.3	75%	0.749	81%	0.813	S	S	*	*			trans	100.9	99	164.6	-54.6	163.2	0	0	0	115.5
193	N	27.8	Very low	28.4	Very low	135 Å²	135	145.6 Å²	145.6	72%	0.722	81%	0.811	S	S	*	*				50.7	115.4	127.3	-54.5	11.7	0	0	0	122.4
194	S	22.7	Very low	28.1	Very low	106 Å²	106	150.7 Å²	150.7	74%	0.741	82%	0.815	S	S	*	*				50	158.2	122.3	69.7	0	0	0	0	124.3
195	S	27.8	Very low	28.2	Very low	102 Å²	102	155 Å²	155	71%	0.713	82%	0.824	S	S	*	*			trans	70.8	96.6	166.6	50.5	0	0	0	0	119
196	S	25.9	Very low	28.1	Very low	109 Å²	109	156 Å²	156	76%	0.762	82%	0.824	S	S	*	*				24	129.5	126.5	56.5	0	0	0	0	120.8
197	E	31.4	Very low	28	Very low	194 Å²	194	151.8 Å²	151.8	91%	0.907	82%	0.819	S	S	*	*				-157.8	174.5	109.3	-116.8	171.1	-162.5	0	0	112.2
198	T	27.7	Very low	28.1	Very low	143 Å²	143	144 Å²	144	88%	0.877	80%	0.801	S	S	*	*			trans	-106.7	139.6	-165.1	50.6	0	0	0	0	114.1
199	G	29.4	Very low	28.4	Very low	79 Å²	79	147.8 Å²	147.8	81%	0.814	80%	0.804	S	S	*	*			trans	-173.1	125.1	165.9	0	0	0	0	0	112.6
200	Q	27.3	Very low	28.8	Very low	195 Å²	195	147.1 Å²	147.1	91%	0.911	80%	0.802	S	S	*	*			trans	-88.5	150.7	168.2	-67.5	178.5	-19	0	0	110
201	V	30.3	Very low	28.9	Very low	136 Å²	136	141.6 Å²	141.6	82%	0.824	79%	0.786	S	S	*	*			trans	-179.1	133.9	131.5	143.5	0	0	0	0	110.6
202	S	27.7	Very low	29.2	Very low	86 Å²	86	140.8 Å²	140.8	60%	0.601	78%	0.78	S	S	*	*			trans	17.8	119.8	165.9	64.9	0	0	0	0	122.2
203	D	27.9	Very low	29.4	Very low	145 Å²	145	135.9 Å²	135.9	78%	0.775	77%	0.765	S	S	*	*				67.7	157.4	128.3	-57	-48.8	0	0	0	122.6
204	F	27.8	Very low	29.9	Very low	206 Å²	206	135.4 Å²	135.4	90%	0.904	76%	0.757	S	S	*	*			trans	65.6	71.9	176.3	-63.9	-87.1	0	0	0	118.6
205	E	30.9	Very low	30.4	Very low	197 Å²	197	134.8 Å²	134.8	92%	0.921	75%	0.748	S	S	*	*			trans	-148	113.7	134.3	-132	179.6	-157.8	0	0	113.6
206	N	26.2	Very low	30.6	Very low	169 Å²	169	137.8 Å²	137.8	90%	0.904	74%	0.744	S	S	*	*			trans	-112.5	88.5	-174.3	-108.5	-42.6	0	0	0	111.4
207	S	27.8	Very low	31	Very low	106 Å²	106	134.4 Å²	134.4	74%	0.741	72%	0.72	S	S	*	*			trans	167.4	172.3	157.2	56.5	0	0	0	0	110.6
208	P	33.3	Very low	31.1	Very low	91 Å²	91	127.6 Å²	127.6	59%	0.591	70%	0.697	S	S	*	*	S	Bend	cis	-108	1.4	-20.1	34.5	-23.8	0	0	0	112.9	R210 H211	P208-R210 PolarHBondContact O-N 3.21Å; P208-H211 PolarHBondContact O-N 3.08Å; P208-H211 PolarHBondContact O-ND1 3.33Å
209	L	33.2	Very low	31.7	Very low	150 Å²	150	126.1 Å²	126.1	79%	0.785	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-36.8	-162	-71.8	167.2	0	0	0	115.6	H211 C212	L209-H211 PolarHBondContact O-N 3.31Å; L209-C212 WeakPolarHBondContact O-CB 3.17Å; L209-C212 PolarHBondContact O-N 3.22Å
210	R	33.5	Very low	32.2	Very low	235 Å²	235	125.8 Å²	125.8	89%	0.887	66%	0.661	S	S	*	*	H	α-helix	trans	-58.2	-18.6	179.2	-90.9	-168.5	170.5	-152.4	-4.7	114.4	P208 C212	P208-R210 PolarHBondContact O-N 3.21Å; R210-C212 VanDerWaalsContact C-N 3.34Å
211	H	32.6	Very low	32.7	Very low	134 Å²	134	119.4 Å²	119.4	62%	0.62	64%	0.638	S	S	*	*	H	α-helix	trans	-73.8	-22.1	174.6	-72	89	0	0	0	113.8	P208 L209	P208-H211 PolarHBondContact O-N 3.08Å; P208-H211 PolarHBondContact O-ND1 3.33Å; L209-H211 PolarHBondContact O-N 3.31Å
212	C	32.7	Very low	33	Very low	92 Å²	92	117.7 Å²	117.7	62%	0.622	62%	0.624	S	S	*	*	H	α-helix	trans	-75.2	-37.3	178.5	-165.9	0	0	0	0	111.9	L209 R210 K214 V215 R216	L209-C212 WeakPolarHBondContact O-CB 3.17Å; L209-C212 PolarHBondContact O-N 3.22Å; R210-C212 VanDerWaalsContact C-N 3.34Å; C212-K214 PolarHBondContact O-N 2.96Å; C212-V215 PolarHBondContact O-N 3.26Å; C212-R216 PolarHBondContact O-N 3.47Å; C212-R216 VanDerWaalsContact O-N 3.13Å
213	G	34.6	Very low	33.8	Very low	43 Å²	43	116 Å²	116	44%	0.443	61%	0.612	S	S	.	*	H	α-helix	trans	-59.7	-44.2	178.2	0	0	0	0	0	113.3	V215 R216 S217	G213-V215 VanDerWaalsContact C-N 3.32Å; G213-V215 PolarHBondContact O-N 3.26Å; G213-R216 WeakPolarHBondContact O-CA 3.45Å; G213-R216 WeakPolarHBondContact O-CB 3.49Å; G213-R216 PolarHBondContact O-N 2.93Å; G213-S217 PolarHBondContact O-N 2.82Å
214	K	37.6	Very low	34.7	Very low	126 Å²	126	112.2 Å²	112.2	55%	0.548	59%	0.592	S	S	.	*	H	α-helix	trans	-59.7	-39.2	179.8	-64.2	-169.8	176.3	-169	0	113	C212 A218	C212-K214 PolarHBondContact O-N 2.96Å; K214-A218 WeakPolarHBondContact O-CB 3.39Å; K214-A218 PolarHBondContact O-N 3Å
215	V	33.9	Very low	35.6	Very low	92 Å²	92	105.2 Å²	105.2	56%	0.558	56%	0.564	S	S	*	*	H	α-helix	trans	-70.5	-37	175	-178.9	0	0	0	0	111.1	C212 G213 I219	C212-V215 PolarHBondContact O-N 3.26Å; G213-V215 VanDerWaalsContact C-N 3.32Å; G213-V215 PolarHBondContact O-N 3.26Å; V215-I219 HydrophobicContact CG1-CD1 3.93Å; V215-I219 VanDerWaalsContact O-CG1 3.29Å; V215-I219 WeakPolarHBondContact O-CG1 3.29Å; V215-I219 PolarHBondContact O-N 2.67Å; V215-I219 VanDerWaalsContact O-N 3.1Å
216	R	31.1	Very low	36.5	Very low	166 Å²	166	97 Å²	97	63%	0.626	53%	0.533	S	S	*	.	H	α-helix	trans	-65.9	-46.9	177.7	-167.5	178.5	-177.8	-174	-2.1	111.9	C212 G213 I219 I220	C212-R216 PolarHBondContact O-N 3.47Å; C212-R216 VanDerWaalsContact O-N 3.13Å; G213-R216 WeakPolarHBondContact O-CA 3.45Å; G213-R216 WeakPolarHBondContact O-CB 3.49Å; G213-R216 PolarHBondContact O-N 2.93Å; R216-I219 PolarHBondContact O-N 3.19Å; R216-I220 HydrophobicContact CG-CD1 3.98Å; R216-I220 WeakPolarHBondContact O-CG1 3.47Å; R216-I220 PolarHBondContact O-N 2.86Å
217	S	34.9	Very low	37.9	Very low	38 Å²	38	93.2 Å²	93.2	27%	0.266	52%	0.517	S	S	.	.	H	α-helix	trans	-60.7	-45.5	176.2	-178.2	0	0	0	0	111.2	E145 G213 I219 I220 S221	E145-S217 PolarHBondContact O-OG 3.28Å; E145-S217 VanDerWaalsContact O-OG 3.06Å; G213-S217 PolarHBondContact O-N 2.82Å; S217-I219 VanDerWaalsContact C-N 3.28Å; S217-I219 PolarHBondContact O-N 3.05Å; S217-I220 PolarHBondContact O-N 3.39Å; S217-I220 VanDerWaalsContact O-N 3.08Å; S217-S221 PolarHBondContact O-N 3.47Å; S217-S221 PolarHBondContact O-OG 2.97Å
218	A	33.2	Very low	39.1	Very low	50 Å²	50	91 Å²	91	41%	0.413	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-24	176.4	0	0	0	0	0	115	K214 S221 N222	K214-A218 WeakPolarHBondContact O-CB 3.39Å; K214-A218 PolarHBondContact O-N 3Å; A218-S221 PolarHBondContact O-OG 2.86Å; A218-N222 PolarHBondContact O-ND2 2.74Å
219	I	40.6	Very low	40.2	Very low	113 Å²	113	87.9 Å²	87.9	58%	0.579	48%	0.478	S	S	*	.	H	α-helix	trans	-79.8	-39.3	171.5	-71.3	167.1	0	0	0	110.6	V215 R216 S217 S223	V215-I219 HydrophobicContact CG1-CD1 3.93Å; V215-I219 VanDerWaalsContact O-CG1 3.29Å; V215-I219 WeakPolarHBondContact O-CG1 3.29Å; V215-I219 PolarHBondContact O-N 2.67Å; V215-I219 VanDerWaalsContact O-N 3.1Å; R216-I219 PolarHBondContact O-N 3.19Å; S217-I219 VanDerWaalsContact C-N 3.28Å; S217-I219 PolarHBondContact O-N 3.05Å; I219-S223 PolarHBondContact O-N 3.22Å; I219-S223 VanDerWaalsContact O-N 3.16Å
220	I	40.1	Very low	41.3	Very low	71 Å²	71	81.9 Å²	81.9	36%	0.364	45%	0.446	S	S	.	.	H	α-helix	trans	-68.1	-45.5	179.4	-68.9	167.6	0	0	0	110.8	R216 S217 N222 S223 L224	R216-I220 HydrophobicContact CG-CD1 3.98Å; R216-I220 WeakPolarHBondContact O-CG1 3.47Å; R216-I220 PolarHBondContact O-N 2.86Å; S217-I220 PolarHBondContact O-N 3.39Å; S217-I220 VanDerWaalsContact O-N 3.08Å; I220-N222 PolarHBondContact O-N 2.92Å; I220-S223 WeakPolarHBondContact O-CA 3.23Å; I220-S223 WeakPolarHBondContact O-CB 3.27Å; I220-S223 PolarHBondContact O-N 3.04Å; I220-S223 PolarHBondContact O-OG 3.32Å; I220-L224 HydrophobicContact CG2-CD1 4.18Å; I220-L224 PolarHBondContact O-N 3.11Å
221	S	36.8	Very low	42.5	Very low	61 Å²	61	74 Å²	74	43%	0.427	42%	0.424	S	S	.	.	H	α-helix	trans	-58.9	-44.8	177.2	61.5	0	0	0	0	112.1	S217 A218 S223 L224 N225	S217-S221 PolarHBondContact O-N 3.47Å; S217-S221 PolarHBondContact O-OG 2.97Å; A218-S221 PolarHBondContact O-OG 2.86Å; S221-S223 PolarHBondContact O-N 3.13Å; S221-L224 PolarHBondContact O-N 3.38Å; S221-N225 PolarHBondContact O-N 3.01Å
222	N	37.7	Very low	43.7	Very low	100 Å²	100	73.4 Å²	73.4	54%	0.535	42%	0.423	S	S	.	.	H	α-helix	trans	-61.2	-28.3	173.4	-84.8	-63.8	0	0	0	113.6	A218 I220 L224	A218-N222 PolarHBondContact O-ND2 2.74Å; I220-N222 PolarHBondContact O-N 2.92Å; N222-L224 VanDerWaalsContact C-N 3.35Å
223	S	42.8	Very low	45	Very low	50 Å²	50	72 Å²	72	35%	0.35	41%	0.409	S	S	.	.	H	α-helix	trans	-77.4	-17.6	175	76.6	0	0	0	0	114.2	I219 I220 S221 V228	I219-S223 PolarHBondContact O-N 3.22Å; I219-S223 VanDerWaalsContact O-N 3.16Å; I220-S223 WeakPolarHBondContact O-CA 3.23Å; I220-S223 WeakPolarHBondContact O-CB 3.27Å; I220-S223 PolarHBondContact O-N 3.04Å; I220-S223 PolarHBondContact O-OG 3.32Å; S221-S223 PolarHBondContact O-N 3.13Å; S223-V228 WeakPolarHBondContact O-CB 3.47Å; S223-V228 VanDerWaalsContact O-CG1 3.3Å; S223-V228 WeakPolarHBondContact O-CG1 3.4Å
224	L	46.6	Very low	46.1	Very low	66 Å²	66	70.1 Å²	70.1	35%	0.346	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-1.4	177.5	-64.8	171.4	0	0	0	113.2	F134 I220 S221 N222 V229 S478	F134-L224 HydrophobicContact CE2-CD2 4.24Å; F134-L224 HydrophobicContact CZ-CD2 3.94Å; I220-L224 HydrophobicContact CG2-CD1 4.18Å; I220-L224 PolarHBondContact O-N 3.11Å; S221-L224 PolarHBondContact O-N 3.38Å; N222-L224 VanDerWaalsContact C-N 3.35Å; L224-V229 VanDerWaalsContact O-CG2 3.32Å; L224-V229 WeakPolarHBondContact O-CG2 3.19Å; L224-S478 PolarHBondContact O-OG 3.27Å
225	N	48.7	Very low	47.2	Very low	60 Å²	60	66.6 Å²	66.6	32%	0.321	38%	0.384	S	S	.	.	S	Bend	trans	-63.3	141.5	175.4	-77.4	-21.3	0	0	0	111.8	S221 P227 V228 V229	S221-N225 PolarHBondContact O-N 3.01Å; N225-P227 VanDerWaalsContact C-CD 3.49Å; N225-P227 VanDerWaalsContact O-N 3.12Å; N225-V228 PolarHBondContact O-N 2.87Å; N225-V229 PolarHBondContact O-N 2.94Å; N225-V229 VanDerWaalsContact O-N 3.13Å
226	G	49.7	Very low	48.6	Very low	25 Å²	25	65.3 Å²	65.3	26%	0.258	38%	0.379	S	S	.	.	H	α-helix	trans	-45.6	-45.6	-171.3	0	0	0	0	0	116	V228 V229 H230	G226-V228 PolarHBondContact O-N 3.5Å; G226-V229 PolarHBondContact O-N 2.98Å; G226-H230 VanDerWaalsContact O-CB 3.23Å; G226-H230 WeakPolarHBondContact O-CB 3.17Å; G226-H230 PolarHBondContact O-N 3.18Å
227	P	54.2	Low	50.1	Low	88 Å²	88	59 Å²	59	57%	0.571	36%	0.357	S	S	*	.	H	α-helix	trans	-62.9	-37.6	177.5	-25.6	35.9	0	0	0	114.4	N225 T231	N225-P227 VanDerWaalsContact C-CD 3.49Å; N225-P227 VanDerWaalsContact O-N 3.12Å; P227-T231 WeakPolarHBondContact O-CB 3.22Å; P227-T231 PolarHBondContact O-N 3.5Å; P227-T231 PolarHBondContact O-OG1 3.19Å
228	V	53.8	Low	51.6	Low	59 Å²	59	58.7 Å²	58.7	36%	0.358	35%	0.352	S	S	.	.	H	α-helix	trans	-70.6	-48.2	178.8	-175.9	0	0	0	0	109.6	S223 N225 G226 H230 T231 M232	S223-V228 WeakPolarHBondContact O-CB 3.47Å; S223-V228 VanDerWaalsContact O-CG1 3.3Å; S223-V228 WeakPolarHBondContact O-CG1 3.4Å; N225-V228 PolarHBondContact O-N 2.87Å; G226-V228 PolarHBondContact O-N 3.5Å; V228-H230 VanDerWaalsContact C-N 3.34Å; V228-H230 PolarHBondContact O-N 3.03Å; V228-T231 PolarHBondContact O-N 3.47Å; V228-T231 VanDerWaalsContact O-N 3.11Å; V228-M232 HydrophobicContact CG1-SD 4.33Å; V228-M232 WeakPolarHBondContact O-CG 3.39Å; V228-M232 PolarHBondContact O-N 3.38Å
229	V	56.7	Low	53	Low	26 Å²	26	59.2 Å²	59.2	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-59	-44.4	175.5	177	0	0	0	0	111	L224 N225 G226 T231 M232 L233 L507	L224-V229 VanDerWaalsContact O-CG2 3.32Å; L224-V229 WeakPolarHBondContact O-CG2 3.19Å; N225-V229 PolarHBondContact O-N 2.94Å; N225-V229 VanDerWaalsContact O-N 3.13Å; G226-V229 PolarHBondContact O-N 2.98Å; V229-T231 VanDerWaalsContact C-N 3.34Å; V229-T231 PolarHBondContact O-N 3.37Å; V229-M232 PolarHBondContact O-N 3.32Å; V229-L233 HydrophobicContact CG1-CD1 3.97Å; V229-L233 HydrophobicContact CG1-CG 4.41Å; V229-L233 WeakPolarHBondContact O-CB 3.36Å; V229-L233 WeakPolarHBondContact O-CG 3.44Å; V229-L233 PolarHBondContact O-N 3.5Å; V229-L507 HydrophobicContact CG1-CD1 4.2Å
230	H	55.7	Low	54	Low	24 Å²	24	58.2 Å²	58.2	11%	0.111	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-38.5	175.6	-179.2	-84.2	0	0	0	112.3	G226 V228 S234 A304	G226-H230 VanDerWaalsContact O-CB 3.23Å; G226-H230 WeakPolarHBondContact O-CB 3.17Å; G226-H230 PolarHBondContact O-N 3.18Å; V228-H230 VanDerWaalsContact C-N 3.34Å; V228-H230 PolarHBondContact O-N 3.03Å; H230-S234 VanDerWaalsContact O-CB 3.32Å; H230-S234 WeakPolarHBondContact O-CB 3.24Å; H230-S234 PolarHBondContact O-N 2.91Å; H230-S234 PolarHBondContact O-OG 3.35Å; H230-A304 PolarHBondContact CE1-O 2.96Å
231	T	57.9	Low	55.2	Low	71 Å²	71	55.7 Å²	55.7	44%	0.436	33%	0.334	S	S	.	.	H	α-helix	trans	-69.9	-36.6	176.2	-59.6	0	0	0	0	112.1	P227 V228 V229 S234 A235	P227-T231 WeakPolarHBondContact O-CB 3.22Å; P227-T231 PolarHBondContact O-N 3.5Å; P227-T231 PolarHBondContact O-OG1 3.19Å; V228-T231 PolarHBondContact O-N 3.47Å; V228-T231 VanDerWaalsContact O-N 3.11Å; V229-T231 VanDerWaalsContact C-N 3.34Å; V229-T231 PolarHBondContact O-N 3.37Å; T231-S234 PolarHBondContact O-OG 2.93Å; T231-A235 WeakPolarHBondContact O-CB 3.3Å; T231-A235 PolarHBondContact O-N 3.26Å
232	M	58.9	Low	56.5	Low	120 Å²	120	54.9 Å²	54.9	59%	0.591	33%	0.331	S	S	*	.	H	α-helix	trans	-66.3	-44.9	173.3	-71.8	178.3	64.9	0	0	111.6	V228 V229 A235 S236	V228-M232 HydrophobicContact CG1-SD 4.33Å; V228-M232 WeakPolarHBondContact O-CG 3.39Å; V228-M232 PolarHBondContact O-N 3.38Å; V229-M232 PolarHBondContact O-N 3.32Å; M232-A235 PolarHBondContact O-N 3.04Å; M232-S236 VanDerWaalsContact O-CB 3.29Å; M232-S236 WeakPolarHBondContact O-CB 3.35Å; M232-S236 PolarHBondContact O-N 3.19Å
233	L	60	Low	57.7	Low	62 Å²	62	51.7 Å²	51.7	33%	0.325	32%	0.317	S	S	.	.	H	α-helix	trans	-64.1	-42.7	176.3	-73.4	173.5	0	0	0	112.1	V229 S236 L237 F500 L507	V229-L233 HydrophobicContact CG1-CD1 3.97Å; V229-L233 HydrophobicContact CG1-CG 4.41Å; V229-L233 WeakPolarHBondContact O-CB 3.36Å; V229-L233 WeakPolarHBondContact O-CG 3.44Å; V229-L233 PolarHBondContact O-N 3.5Å; L233-S236 PolarHBondContact O-N 2.84Å; L233-L237 WeakPolarHBondContact O-CB 3.43Å; L233-L237 PolarHBondContact O-N 3.23Å; L233-F500 HydrophobicContact CB-CE2 4.04Å; L233-L507 HydrophobicContact CD1-CD1 4.05Å
234	S	56.9	Low	58.7	Low	4 Å²	4	52.4 Å²	52.4	3%	0.028	32%	0.316	C	S	.	.	H	α-helix	trans	-69.6	-38.2	177.8	72.4	0	0	0	0	112.1	H230 T231 I238 N305	H230-S234 VanDerWaalsContact O-CB 3.32Å; H230-S234 WeakPolarHBondContact O-CB 3.24Å; H230-S234 PolarHBondContact O-N 2.91Å; H230-S234 PolarHBondContact O-OG 3.35Å; T231-S234 PolarHBondContact O-OG 2.93Å; S234-I238 WeakPolarHBondContact O-CB 3.22Å; S234-I238 WeakPolarHBondContact O-CD1 3.31Å; S234-I238 WeakPolarHBondContact O-CG1 3.45Å; S234-I238 PolarHBondContact O-N 2.95Å; S234-N305 PolarHBondContact OG-ND2 3.27Å; S234-N305 PolarHBondContact OG-OD1 2.69Å
235	A	61	Low	59.6	Low	53 Å²	53	51.9 Å²	51.9	44%	0.438	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-43.2	172.8	0	0	0	0	0	112.1	T231 M232 I238 S239	T231-A235 WeakPolarHBondContact O-CB 3.3Å; T231-A235 PolarHBondContact O-N 3.26Å; M232-A235 PolarHBondContact O-N 3.04Å; A235-I238 PolarHBondContact O-N 3.23Å; A235-S239 WeakPolarHBondContact O-CB 3.45Å; A235-S239 PolarHBondContact O-N 3.25Å
236	S	63.1	Low	60.5	Low	65 Å²	65	52.5 Å²	52.5	46%	0.455	32%	0.318	S	S	.	.	H	α-helix	trans	-60.9	-46.9	176	-172.8	0	0	0	0	111.6	M232 L233 S239 M240	M232-S236 VanDerWaalsContact O-CB 3.29Å; M232-S236 WeakPolarHBondContact O-CB 3.35Å; M232-S236 PolarHBondContact O-N 3.19Å; L233-S236 PolarHBondContact O-N 2.84Å; S236-S239 WeakPolarHBondContact O-CB 3.44Å; S236-S239 PolarHBondContact O-N 2.91Å; S236-M240 WeakPolarHBondContact O-CB 3.25Å; S236-M240 PolarHBondContact O-N 3.46Å
237	L	63.8	Low	61.1	Low	34 Å²	34	54 Å²	54	18%	0.178	32%	0.322	C	S	.	.	H	α-helix	trans	-65.5	-41.5	176.1	178.7	156.9	0	0	0	111.7	L233 S239 M240 L241 S301 F500	L233-L237 WeakPolarHBondContact O-CB 3.43Å; L233-L237 PolarHBondContact O-N 3.23Å; L237-S239 VanDerWaalsContact C-N 3.27Å; L237-S239 PolarHBondContact O-N 3.44Å; L237-M240 PolarHBondContact O-N 3.33Å; L237-L241 HydrophobicContact CD2-CD1 3.42Å; L237-L241 VanDerWaalsContact CD2-CD1 3.42Å; L237-L241 HydrophobicContact CD2-CG 3.87Å; L237-L241 HydrophobicContact CG-CD1 4.34Å; L237-L241 HydrophobicContact CG-CG 4.34Å; L237-L241 WeakPolarHBondContact O-CB 3.4Å; L237-L241 WeakPolarHBondContact O-CG 3.27Å; L237-L241 PolarHBondContact O-N 2.76Å; L237-S301 WeakPolarHBondContact CD2-OG 3.32Å; L237-F500 HydrophobicContact CB-CE2 4.03Å; L237-F500 HydrophobicContact CB-CZ 4.18Å; L237-F500 HydrophobicContact CD1-CD1 3.79Å; L237-F500 HydrophobicContact CD1-CD2 4.13Å; L237-F500 HydrophobicContact CD1-CE1 3.43Å; L237-F500 VanDerWaalsContact CD1-CE1 3.43Å; L237-F500 HydrophobicContact CD1-CE2 3.74Å; L237-F500 HydrophobicContact CD1-CG 4.16Å; L237-F500 HydrophobicContact CD1-CZ 3.41Å; L237-F500 VanDerWaalsContact CD1-CZ 3.41Å; L237-F500 HydrophobicContact CG-CZ 4.38Å
238	I	65.4	Low	61.4	Low	30 Å²	30	51.6 Å²	51.6	15%	0.154	30%	0.304	C	S	.	.	H	α-helix	trans	-60.6	-39	175.3	-72.5	164.2	0	0	0	110.8	S234 A235 A242 I298 R302	S234-I238 WeakPolarHBondContact O-CB 3.22Å; S234-I238 WeakPolarHBondContact O-CD1 3.31Å; S234-I238 WeakPolarHBondContact O-CG1 3.45Å; S234-I238 PolarHBondContact O-N 2.95Å; A235-I238 PolarHBondContact O-N 3.23Å; I238-A242 VanDerWaalsContact O-CB 3.24Å; I238-A242 WeakPolarHBondContact O-CB 3.42Å; I238-A242 PolarHBondContact O-N 3.15Å; I238-I298 HydrophobicContact CG2-CG2 4.47Å; I238-R302 HydrophobicContact CD1-CG 3.92Å
239	S	62.4	Low	62	Low	61 Å²	61	50.2 Å²	50.2	43%	0.427	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-45.6	174.5	-167.3	0	0	0	0	112.1	A235 S236 L237 A242 S243	A235-S239 WeakPolarHBondContact O-CB 3.45Å; A235-S239 PolarHBondContact O-N 3.25Å; S236-S239 WeakPolarHBondContact O-CB 3.44Å; S236-S239 PolarHBondContact O-N 2.91Å; L237-S239 VanDerWaalsContact C-N 3.27Å; L237-S239 PolarHBondContact O-N 3.44Å; S239-A242 PolarHBondContact O-N 3.16Å; S239-S243 PolarHBondContact O-N 2.74Å; S239-S243 PolarHBondContact O-OG 2.83Å
240	M	61.8	Low	62.1	Low	92 Å²	92	55.2 Å²	55.2	45%	0.453	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-43.9	177.6	-175	-164	-65.9	0	0	112.2	S236 L237 S243 L244	S236-M240 WeakPolarHBondContact O-CB 3.25Å; S236-M240 PolarHBondContact O-N 3.46Å; L237-M240 PolarHBondContact O-N 3.33Å; M240-S243 PolarHBondContact O-N 3.46Å; M240-S243 PolarHBondContact O-OG 3.38Å; M240-L244 HydrophobicContact CG-CD1 4.17Å; M240-L244 WeakPolarHBondContact O-CB 3.26Å; M240-L244 VanDerWaalsContact O-CG 3.27Å; M240-L244 WeakPolarHBondContact O-CG 3.26Å; M240-L244 PolarHBondContact O-N 3.06Å
241	L	65.3	Low	62	Low	19 Å²	19	58.4 Å²	58.4	10%	0.099	34%	0.34	C	S	.	.	H	α-helix	trans	-67.8	-37.1	176.1	-71.1	-173	0	0	0	112	L237 H245 I294 L297 I298	L237-L241 HydrophobicContact CD2-CD1 3.42Å; L237-L241 VanDerWaalsContact CD2-CD1 3.42Å; L237-L241 HydrophobicContact CD2-CG 3.87Å; L237-L241 HydrophobicContact CG-CD1 4.34Å; L237-L241 HydrophobicContact CG-CG 4.34Å; L237-L241 WeakPolarHBondContact O-CB 3.4Å; L237-L241 WeakPolarHBondContact O-CG 3.27Å; L237-L241 PolarHBondContact O-N 2.76Å; L241-H245 WeakPolarHBondContact O-CB 3.3Å; L241-H245 PolarHBondContact O-N 2.94Å; L241-I294 HydrophobicContact CB-CG2 4.05Å; L241-I294 HydrophobicContact CD2-CG1 4.39Å; L241-I294 WeakPolarHBondContact O-CG2 3.27Å; L241-L297 HydrophobicContact CD1-CB 3.44Å; L241-L297 VanDerWaalsContact CD1-CB 3.44Å; L241-L297 HydrophobicContact CD1-CD1 4.22Å; L241-L297 HydrophobicContact CD1-CG 4.49Å; L241-L297 HydrophobicContact CD2-CD1 4.25Å; L241-I298 HydrophobicContact CB-CD1 3.96Å; L241-I298 HydrophobicContact CB-CG1 3.74Å; L241-I298 HydrophobicContact CD1-CG1 3.82Å; L241-I298 HydrophobicContact CG-CG1 4.48Å
242	A	64.1	Low	61.8	Low	44 Å²	44	60.5 Å²	60.5	36%	0.364	34%	0.343	S	S	.	.	H	α-helix	trans	-65	-43.7	174.3	0	0	0	0	0	111.8	I238 S239 H245 T246	I238-A242 VanDerWaalsContact O-CB 3.24Å; I238-A242 WeakPolarHBondContact O-CB 3.42Å; I238-A242 PolarHBondContact O-N 3.15Å; S239-A242 PolarHBondContact O-N 3.16Å; A242-H245 PolarHBondContact O-N 3.48Å; A242-T246 PolarHBondContact O-N 3.4Å; A242-T246 PolarHBondContact O-OG1 3.25Å
243	S	62.6	Low	61.5	Low	33 Å²	33	61.4 Å²	61.4	23%	0.231	35%	0.35	C	S	.	.	H	α-helix	trans	-66	-43.9	177.2	61	0	0	0	0	111.8	S239 M240 H245 T246 T247	S239-S243 PolarHBondContact O-N 2.74Å; S239-S243 PolarHBondContact O-OG 2.83Å; M240-S243 PolarHBondContact O-N 3.46Å; M240-S243 PolarHBondContact O-OG 3.38Å; S243-H245 VanDerWaalsContact C-N 3.33Å; S243-H245 PolarHBondContact O-N 3.06Å; S243-T246 WeakPolarHBondContact CA-OG1 3.37Å; S243-T246 PolarHBondContact O-N 3.2Å; S243-T246 VanDerWaalsContact O-N 3.16Å; S243-T246 PolarHBondContact O-OG1 2.81Å; S243-T247 PolarHBondContact O-N 3.37Å; S243-T247 PolarHBondContact O-OG1 3.4Å; S243-T247 VanDerWaalsContact O-OG1 3.1Å
244	L	63.9	Low	60.6	Low	64 Å²	64	63.3 Å²	63.3	34%	0.335	36%	0.361	S	S	.	.	H	α-helix	trans	-58.6	-43.3	173.1	-74.9	168.8	0	0	0	111.6	M240 T246 T247 L248 I294	M240-L244 HydrophobicContact CG-CD1 4.17Å; M240-L244 WeakPolarHBondContact O-CB 3.26Å; M240-L244 VanDerWaalsContact O-CG 3.27Å; M240-L244 WeakPolarHBondContact O-CG 3.26Å; M240-L244 PolarHBondContact O-N 3.06Å; L244-T246 PolarHBondContact O-N 3.19Å; L244-T247 PolarHBondContact O-N 3.31Å; L244-L248 WeakPolarHBondContact O-CB 3.4Å; L244-L248 VanDerWaalsContact O-CG 3.24Å; L244-L248 WeakPolarHBondContact O-CG 3.29Å; L244-L248 PolarHBondContact O-N 3.06Å; L244-I294 HydrophobicContact CB-CD1 4.4Å
245	H	66.1	Low	59.8	Low	56 Å²	56	68.9 Å²	68.9	26%	0.259	40%	0.397	S	S	.	.	H	α-helix	trans	-60	-44.5	174.7	-170.9	-65.9	0	0	0	111.7	L241 A242 S243 S249 I294	L241-H245 WeakPolarHBondContact O-CB 3.3Å; L241-H245 PolarHBondContact O-N 2.94Å; A242-H245 PolarHBondContact O-N 3.48Å; S243-H245 VanDerWaalsContact C-N 3.33Å; S243-H245 PolarHBondContact O-N 3.06Å; H245-S249 PolarHBondContact CE1-OG 2.65Å; H245-S249 PolarHBondContact ND1-OG 2.71Å; H245-S249 VanDerWaalsContact O-CB 3.31Å; H245-S249 WeakPolarHBondContact O-CB 3.14Å; H245-S249 PolarHBondContact O-N 3.25Å; H245-S249 PolarHBondContact O-OG 2.97Å; H245-I294 HydrophobicContact CB-CD1 4.38Å; H245-I294 HydrophobicContact CB-CG2 3.98Å
246	T	66.7	Low	58.8	Low	73 Å²	73	69.5 Å²	69.5	45%	0.448	41%	0.409	S	S	.	.	H	α-helix	trans	-64.7	-43.7	178.4	46.2	0	0	0	0	112.4	A242 S243 L244 S249 Q250	A242-T246 PolarHBondContact O-N 3.4Å; A242-T246 PolarHBondContact O-OG1 3.25Å; S243-T246 WeakPolarHBondContact CA-OG1 3.37Å; S243-T246 PolarHBondContact O-N 3.2Å; S243-T246 VanDerWaalsContact O-N 3.16Å; S243-T246 PolarHBondContact O-OG1 2.81Å; L244-T246 PolarHBondContact O-N 3.19Å; T246-S249 PolarHBondContact O-N 3.1Å; T246-Q250 WeakPolarHBondContact O-CB 3.45Å; T246-Q250 VanDerWaalsContact O-CG 3.27Å; T246-Q250 WeakPolarHBondContact O-CG 3.43Å; T246-Q250 PolarHBondContact O-N 3.08Å
247	T	63.2	Low	57.6	Low	56 Å²	56	72 Å²	72	34%	0.344	42%	0.421	S	S	.	.	H	α-helix	trans	-64.3	-48.1	178.4	-54.3	0	0	0	0	111.4	S243 L244 S249 Q250 T251	S243-T247 PolarHBondContact O-N 3.37Å; S243-T247 PolarHBondContact O-OG1 3.4Å; S243-T247 VanDerWaalsContact O-OG1 3.1Å; L244-T247 PolarHBondContact O-N 3.31Å; T247-S249 VanDerWaalsContact C-N 3.3Å; T247-S249 PolarHBondContact O-N 3.5Å; T247-Q250 PolarHBondContact O-N 3.33Å; T247-T251 PolarHBondContact O-N 3.4Å; T247-T251 PolarHBondContact O-OG1 2.86Å
248	L	60.9	Low	56	Low	37 Å²	37	75.7 Å²	75.7	19%	0.194	45%	0.449	C	S	.	.	H	α-helix	trans	-67.1	-29.5	180	-63.9	177.7	0	0	0	112.6	L244 T251 I287 L290 L291 I294	L244-L248 WeakPolarHBondContact O-CB 3.4Å; L244-L248 VanDerWaalsContact O-CG 3.24Å; L244-L248 WeakPolarHBondContact O-CG 3.29Å; L244-L248 PolarHBondContact O-N 3.06Å; L248-T251 WeakPolarHBondContact CA-OG1 3.43Å; L248-T251 PolarHBondContact O-OG1 3.04Å; L248-I287 HydrophobicContact CD2-CG2 4.21Å; L248-L290 HydrophobicContact CD1-CB 4.33Å; L248-L291 HydrophobicContact CB-CD1 3.84Å; L248-I294 HydrophobicContact CD1-CD1 4.25Å
249	S	64.7	Low	54.3	Low	30 Å²	30	79.3 Å²	79.3	21%	0.21	48%	0.477	C	S	.	.	H	α-helix	trans	-68.7	-47.3	170.7	-55.2	0	0	0	0	111.4	H245 T246 T247 T251 F252 D253	H245-S249 PolarHBondContact CE1-OG 2.65Å; H245-S249 PolarHBondContact ND1-OG 2.71Å; H245-S249 VanDerWaalsContact O-CB 3.31Å; H245-S249 WeakPolarHBondContact O-CB 3.14Å; H245-S249 PolarHBondContact O-N 3.25Å; H245-S249 PolarHBondContact O-OG 2.97Å; T246-S249 PolarHBondContact O-N 3.1Å; T247-S249 VanDerWaalsContact C-N 3.3Å; T247-S249 PolarHBondContact O-N 3.5Å; S249-T251 VanDerWaalsContact C-N 3.26Å; S249-T251 PolarHBondContact O-N 3.37Å; S249-F252 WeakPolarHBondContact O-CA 3.29Å; S249-F252 WeakPolarHBondContact O-CB 3.45Å; S249-F252 PolarHBondContact O-N 3.19Å; S249-D253 PolarHBondContact O-N 3.19Å
250	Q	59.3	Low	52.9	Low	132 Å²	132	84 Å²	84	62%	0.617	50%	0.496	S	S	*	.	H	α-helix	trans	-61.8	-32.6	179.7	-73.9	170.4	2.9	0	0	112.7	T246 T247 F252	T246-Q250 WeakPolarHBondContact O-CB 3.45Å; T246-Q250 VanDerWaalsContact O-CG 3.27Å; T246-Q250 WeakPolarHBondContact O-CG 3.43Å; T246-Q250 PolarHBondContact O-N 3.08Å; T247-Q250 PolarHBondContact O-N 3.33Å; Q250-F252 VanDerWaalsContact C-N 3.27Å; Q250-F252 PolarHBondContact O-N 2.82Å
251	T	54.7	Low	51.4	Low	90 Å²	90	87.4 Å²	87.4	55%	0.552	52%	0.515	S	S	*	.	H	α-helix	trans	-70.9	-18.3	172	50.4	0	0	0	0	114.2	T247 L248 S249	T247-T251 PolarHBondContact O-N 3.4Å; T247-T251 PolarHBondContact O-OG1 2.86Å; L248-T251 WeakPolarHBondContact CA-OG1 3.43Å; L248-T251 PolarHBondContact O-OG1 3.04Å; S249-T251 VanDerWaalsContact C-N 3.26Å; S249-T251 PolarHBondContact O-N 3.37Å
252	F	53.9	Low	49.7	Very low	116 Å²	116	91.8 Å²	91.8	51%	0.509	55%	0.547	S	S	.	.	H	α-helix	trans	-85.1	-33.8	176.3	-111.7	-83.1	0	0	0	112.7	S249 Q250 I287	S249-F252 WeakPolarHBondContact O-CA 3.29Å; S249-F252 WeakPolarHBondContact O-CB 3.45Å; S249-F252 PolarHBondContact O-N 3.19Å; Q250-F252 VanDerWaalsContact C-N 3.27Å; Q250-F252 PolarHBondContact O-N 2.82Å; F252-I287 HydrophobicContact CD2-CG2 4.17Å; F252-I287 HydrophobicContact CE2-CB 4.21Å; F252-I287 HydrophobicContact CE2-CG2 3.74Å
253	D	51.9	Low	48.1	Very low	138 Å²	138	97.9 Å²	97.9	74%	0.738	57%	0.573	S	S	*	*	H	α-helix	trans	-81.5	-8.2	-176.9	-71.2	-35.4	0	0	0	114.2	S249	S249-D253 PolarHBondContact O-N 3.19Å
254	N	40.2	Very low	46.5	Very low	103 Å²	103	102.8 Å²	102.8	55%	0.551	60%	0.602	S	S	*	*			trans	-131.5	74.2	-170.4	-159.6	19.3	0	0	0	113.4	G256	N254-G256 PolarHBondContact O-N 3.26Å
255	P	40.9	Very low	45.1	Very low	120 Å²	120	104.3 Å²	104.3	78%	0.779	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	19.1	-169.7	32.2	-38.5	0	0	0	115.6
256	G	39.3	Very low	43.4	Very low	67 Å²	67	108.7 Å²	108.7	69%	0.691	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	3.6	-174.9	0	0	0	0	0	116	N254	N254-G256 PolarHBondContact O-N 3.26Å
257	V	39.1	Very low	41.8	Very low	116 Å²	116	110.3 Å²	110.3	70%	0.703	66%	0.658	S	S	*	*			trans	-131.1	37	-170.3	-155.1	0	0	0	0	112.6
258	S	30	Very low	40.3	Very low	112 Å²	112	114.4 Å²	114.4	78%	0.783	68%	0.678	S	S	*	*			trans	-110.8	56.2	-178.7	57.4	0	0	0	0	112.6
259	S	29.2	Very low	38.9	Very low	106 Å²	106	118.4 Å²	118.4	74%	0.741	70%	0.703	S	S	*	*			trans	-149.3	74.5	174.3	64.7	0	0	0	0	112.4
260	I	32.7	Very low	37.4	Very low	159 Å²	159	123.8 Å²	123.8	82%	0.815	74%	0.735	S	S	*	*	S	Bend	trans	-157.9	124.4	161.1	-105.6	148.6	0	0	0	108.9
261	I	31.1	Very low	36	Very low	165 Å²	165	121.1 Å²	121.1	85%	0.846	74%	0.743	S	S	*	*			trans	56.1	84.1	166.9	-50.9	163.8	0	0	0	116.7
262	S	30	Very low	35	Very low	110 Å²	110	122.2 Å²	122.2	77%	0.769	75%	0.754	S	S	*	*			trans	-151.1	119.4	134.3	56.2	0	0	0	0	110
263	N	29.7	Very low	33.6	Very low	172 Å²	172	121.6 Å²	121.6	92%	0.92	76%	0.764	S	S	*	*			trans	-169.1	106.8	161.2	-107.4	-11.2	0	0	0	109.6
264	T	29.2	Very low	32.8	Very low	136 Å²	136	122.7 Å²	122.7	83%	0.834	77%	0.768	S	S	*	*			trans	-108	159.7	171.2	-58.5	0	0	0	0	108.3
265	S	34.6	Very low	32.4	Very low	96 Å²	96	123.2 Å²	123.2	67%	0.671	78%	0.78	S	S	*	*			trans	85.8	121.9	168	78.3	0	0	0	0	118.7
266	N	30.9	Very low	31.9	Very low	149 Å²	149	121 Å²	121	80%	0.797	78%	0.778	S	S	*	*			trans	41.4	114.9	131.4	-48.5	-5.5	0	0	0	117
267	S	32.7	Very low	31.7	Very low	107 Å²	107	123.2 Å²	123.2	75%	0.748	78%	0.781	S	S	*	*				177.4	159.4	62.9	42.7	0	0	0	0	112.7
268	N	31.4	Very low	31.1	Very low	142 Å²	142	125 Å²	125	76%	0.759	79%	0.786	S	S	*	*			trans	25.5	109.7	151.6	-57.9	2	0	0	0	120.3
269	T	30.9	Very low	31.1	Very low	120 Å²	120	125.3 Å²	125.3	74%	0.736	79%	0.788	S	S	*	*			trans	56.1	125.2	136.1	52.7	0	0	0	0	121.5
270	T	33.1	Very low	31.4	Very low	143 Å²	143	124.9 Å²	124.9	88%	0.877	79%	0.785	S	S	*	*			trans	62.5	127.8	146	55.9	0	0	0	0	120.4
271	G	31.6	Very low	31.4	Very low	76 Å²	76	124.2 Å²	124.2	78%	0.784	78%	0.782	S	S	*	*			trans	129.8	103.6	142	0	0	0	0	0	117.2
272	S	31.6	Very low	31.6	Very low	113 Å²	113	122.5 Å²	122.5	79%	0.79	78%	0.781	S	S	*	*			trans	-5.7	118.2	159.2	-61	0	0	0	0	120.5
273	C	26.3	Very low	32.2	Very low	104 Å²	104	126.1 Å²	126.1	70%	0.703	78%	0.784	S	S	*	*			trans	10.6	142.6	133.1	58.5	0	0	0	0	121.6
274	I	35	Very low	33	Very low	160 Å²	160	123.2 Å²	123.2	82%	0.821	77%	0.768	S	S	*	*				-179.2	156.2	112.9	-90.2	155.4	0	0	0	111.3
275	S	30.7	Very low	33.9	Very low	115 Å²	115	121 Å²	121	80%	0.804	76%	0.756	S	S	*	*			trans	-59.1	153.8	-169.5	54.6	0	0	0	0	119.7
276	G	30.3	Very low	34.5	Very low	73 Å²	73	122.4 Å²	122.4	75%	0.753	76%	0.755	S	S	*	*			trans	170	117	156.1	0	0	0	0	0	114.5
277	P	34.7	Very low	35.6	Very low	114 Å²	114	117.9 Å²	117.9	74%	0.74	73%	0.73	S	S	*	*			trans	-104.1	151.1	-174	37.5	-33.4	0	0	0	115.5
278	N	28	Very low	36.5	Very low	154 Å²	154	115.6 Å²	115.6	82%	0.824	72%	0.715	S	S	*	*			trans	150.6	109.5	133.4	-77.8	-27.6	0	0	0	113.9
279	S	30.2	Very low	37.4	Very low	117 Å²	117	114.8 Å²	114.8	82%	0.818	71%	0.706	S	S	*	*			trans	170.4	136.3	133.3	43.7	0	0	0	0	115.6
280	S	34	Very low	38.6	Very low	98 Å²	98	113.3 Å²	113.3	69%	0.685	69%	0.693	S	S	*	*			trans	19.7	115.6	155.3	56	0	0	0	0	124.2
281	I	33.2	Very low	39.9	Very low	144 Å²	144	108.4 Å²	108.4	74%	0.738	66%	0.661	S	S	*	*				52.3	125.5	123.3	-55	163	0	0	0	119.8	K283	I281-K283 HydrophobicContact CG2-CG 4.3Å
282	P	36.6	Very low	41.1	Very low	129 Å²	129	108.1 Å²	108.1	84%	0.838	65%	0.652	S	S	*	*				-128.1	141.1	123.9	35.7	-28.2	0	0	0	113.6
283	K	41.5	Very low	42.5	Very low	187 Å²	187	105.8 Å²	105.8	81%	0.813	63%	0.63	S	S	*	*			trans	-95	129	169.8	-67	178	179.8	177.1	0	109.3	I281 P285	I281-K283 HydrophobicContact CG2-CG 4.3Å; K283-P285 VanDerWaalsContact O-CD 3.26Å; K283-P285 WeakPolarHBondContact O-CD 3.3Å
284	N	45.6	Very low	44.2	Very low	111 Å²	111	101.3 Å²	101.3	59%	0.594	60%	0.598	S	S	*	*			trans	-75.2	110.8	-176.7	-100.8	-27.6	0	0	0	112.7	L286 I287	N284-L286 VanDerWaalsContact C-N 3.35Å; N284-L286 PolarHBondContact O-N 3.28Å; N284-I287 HydrophobicContact CB-CD1 4.08Å; N284-I287 HydrophobicContact CB-CG1 4.29Å
285	P	49.6	Very low	45.4	Very low	89 Å²	89	97 Å²	97	58%	0.578	58%	0.581	S	S	*	*	H	α-helix	trans	-73.1	-25.6	-173.9	30.2	-35.6	0	0	0	113.4	K283 I287 S288 H289	K283-P285 VanDerWaalsContact O-CD 3.26Å; K283-P285 WeakPolarHBondContact O-CD 3.3Å; P285-I287 VanDerWaalsContact C-N 3.32Å; P285-I287 PolarHBondContact O-N 3.41Å; P285-S288 PolarHBondContact O-N 3.13Å; P285-S288 PolarHBondContact O-OG 3.16Å; P285-H289 PolarHBondContact O-N 3.47Å
286	L	47.5	Very low	46.6	Very low	126 Å²	126	98.4 Å²	98.4	66%	0.66	57%	0.574	S	S	*	*	H	α-helix	trans	-61.1	-38.3	-178.9	-64.5	174.6	0	0	0	112.4	N284 H289 L290	N284-L286 VanDerWaalsContact C-N 3.35Å; N284-L286 PolarHBondContact O-N 3.28Å; L286-H289 PolarHBondContact O-N 2.92Å; L286-L290 WeakPolarHBondContact O-CG 3.32Å; L286-L290 PolarHBondContact O-N 3.15Å
287	I	53.2	Low	47.9	Very low	53 Å²	53	98.7 Å²	98.7	27%	0.272	56%	0.558	S	S	.	*	H	α-helix	trans	-67.7	-44.3	-178.5	-53.7	177	0	0	0	110.2	L248 F252 N284 P285 H289 L290 L291	L248-I287 HydrophobicContact CD2-CG2 4.21Å; F252-I287 HydrophobicContact CD2-CG2 4.17Å; F252-I287 HydrophobicContact CE2-CB 4.21Å; F252-I287 HydrophobicContact CE2-CG2 3.74Å; N284-I287 HydrophobicContact CB-CD1 4.08Å; N284-I287 HydrophobicContact CB-CG1 4.29Å; P285-I287 VanDerWaalsContact C-N 3.32Å; P285-I287 PolarHBondContact O-N 3.41Å; I287-H289 VanDerWaalsContact C-N 3.29Å; I287-H289 PolarHBondContact O-N 2.85Å; I287-L290 PolarHBondContact O-N 3.42Å; I287-L291 WeakPolarHBondContact O-CB 3.29Å; I287-L291 PolarHBondContact O-N 2.85Å
288	S	51.8	Low	49.2	Very low	60 Å²	60	94.1 Å²	94.1	42%	0.42	53%	0.527	S	S	.	.	H	α-helix	trans	-63.2	-32.5	173	37.1	0	0	0	0	113.2	P285 A292	P285-S288 PolarHBondContact O-N 3.13Å; P285-S288 PolarHBondContact O-OG 3.16Å; S288-A292 WeakPolarHBondContact O-CB 3.39Å; S288-A292 PolarHBondContact O-N 3.11Å; S288-A292 VanDerWaalsContact O-N 3.14Å
289	H	50.7	Low	50.2	Low	124 Å²	124	89.2 Å²	89.2	57%	0.574	51%	0.508	S	S	*	.	H	α-helix	trans	-71.7	-44.8	177.2	-158.4	56.9	0	0	0	111.6	P285 L286 I287 L291 A292 I293	P285-H289 PolarHBondContact O-N 3.47Å; L286-H289 PolarHBondContact O-N 2.92Å; I287-H289 VanDerWaalsContact C-N 3.29Å; I287-H289 PolarHBondContact O-N 2.85Å; H289-L291 PolarHBondContact O-N 3.49Å; H289-A292 PolarHBondContact O-N 2.86Å; H289-I293 VanDerWaalsContact O-CG1 3.3Å; H289-I293 WeakPolarHBondContact O-CG1 3.48Å; H289-I293 PolarHBondContact O-N 3.46Å
290	L	55.4	Low	51.3	Low	89 Å²	89	88 Å²	88	47%	0.466	50%	0.496	S	S	.	.	H	α-helix	trans	-58.6	-46.6	173	-75.1	166.9	0	0	0	111.8	L248 L286 I287 A292 I293 I294	L248-L290 HydrophobicContact CD1-CB 4.33Å; L286-L290 WeakPolarHBondContact O-CG 3.32Å; L286-L290 PolarHBondContact O-N 3.15Å; I287-L290 PolarHBondContact O-N 3.42Å; L290-A292 VanDerWaalsContact C-N 3.27Å; L290-A292 PolarHBondContact O-N 2.93Å; L290-I293 PolarHBondContact O-N 2.88Å; L290-I293 VanDerWaalsContact O-N 3.12Å; L290-I294 VanDerWaalsContact O-CG1 3.31Å; L290-I294 WeakPolarHBondContact O-CG1 3.39Å; L290-I294 PolarHBondContact O-N 3.44Å
291	L	59.7	Low	52.2	Low	41 Å²	41	84 Å²	84	22%	0.215	47%	0.467	C	S	.	.	H	α-helix	trans	-61.9	-34.4	179.2	-155.8	75.3	0	0	0	112.3	L248 I287 H289 P295	L248-L291 HydrophobicContact CB-CD1 3.84Å; I287-L291 WeakPolarHBondContact O-CB 3.29Å; I287-L291 PolarHBondContact O-N 2.85Å; H289-L291 PolarHBondContact O-N 3.49Å; L291-P295 WeakPolarHBondContact O-CD 3.41Å
292	A	56.9	Low	53.2	Low	70 Å²	70	84.1 Å²	84.1	58%	0.579	46%	0.459	S	S	*	.	H	α-helix	trans	-73.4	-30.7	174.7	0	0	0	0	0	113.8	S288 H289 L290	S288-A292 WeakPolarHBondContact O-CB 3.39Å; S288-A292 PolarHBondContact O-N 3.11Å; S288-A292 VanDerWaalsContact O-N 3.14Å; H289-A292 PolarHBondContact O-N 2.86Å; L290-A292 VanDerWaalsContact C-N 3.27Å; L290-A292 PolarHBondContact O-N 2.93Å
293	I	62.6	Low	53.9	Low	64 Å²	64	80.7 Å²	80.7	33%	0.328	44%	0.441	S	S	.	.	H	α-helix	trans	-79.2	-35.9	-178.8	-71.9	165.6	0	0	0	112.1	H289 L290 H296 L297	H289-I293 VanDerWaalsContact O-CG1 3.3Å; H289-I293 WeakPolarHBondContact O-CG1 3.48Å; H289-I293 PolarHBondContact O-N 3.46Å; L290-I293 PolarHBondContact O-N 2.88Å; L290-I293 VanDerWaalsContact O-N 3.12Å; I293-H296 WeakPolarHBondContact O-CA 3.33Å; I293-H296 VanDerWaalsContact O-CB 3.31Å; I293-H296 WeakPolarHBondContact O-CB 3.31Å; I293-H296 PolarHBondContact O-N 2.79Å; I293-L297 HydrophobicContact CG2-CD1 3.7Å; I293-L297 HydrophobicContact CG2-CG 3.78Å; I293-L297 PolarHBondContact O-N 3.47Å
294	I	60.7	Low	54.2	Low	9 Å²	9	73 Å²	73	5%	0.046	41%	0.413	C	S	.	.	H	α-helix	trans	-53.5	-46.8	-174.8	-72.6	161.5	0	0	0	113.7	L241 L244 H245 L248 L290 H296 L297 I298	L241-I294 HydrophobicContact CB-CG2 4.05Å; L241-I294 HydrophobicContact CD2-CG1 4.39Å; L241-I294 WeakPolarHBondContact O-CG2 3.27Å; L244-I294 HydrophobicContact CB-CD1 4.4Å; H245-I294 HydrophobicContact CB-CD1 4.38Å; H245-I294 HydrophobicContact CB-CG2 3.98Å; L248-I294 HydrophobicContact CD1-CD1 4.25Å; L290-I294 VanDerWaalsContact O-CG1 3.31Å; L290-I294 WeakPolarHBondContact O-CG1 3.39Å; L290-I294 PolarHBondContact O-N 3.44Å; I294-H296 PolarHBondContact O-N 3.29Å; I294-L297 PolarHBondContact O-N 2.9Å; I294-I298 HydrophobicContact CG2-CD1 3.62Å; I294-I298 HydrophobicContact CG2-CG1 4.25Å; I294-I298 WeakPolarHBondContact O-CG1 3.35Å; I294-I298 PolarHBondContact O-N 3.49Å
295	P	59.6	Low	54.2	Low	69 Å²	69	70.4 Å²	70.4	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-57.8	-33.2	175.8	-26.3	35.3	0	0	0	113.6	L291 A299	L291-P295 WeakPolarHBondContact O-CD 3.41Å; P295-A299 WeakPolarHBondContact O-CB 3.23Å; P295-A299 PolarHBondContact O-N 3.49Å
296	H	57.9	Low	53.9	Low	146 Å²	146	73.4 Å²	73.4	68%	0.676	41%	0.405	S	S	*	.	H	α-helix	trans	-74.1	-43.5	179.3	-135.9	66	0	0	0	111.4	I293 I294 A299 V300	I293-H296 WeakPolarHBondContact O-CA 3.33Å; I293-H296 VanDerWaalsContact O-CB 3.31Å; I293-H296 WeakPolarHBondContact O-CB 3.31Å; I293-H296 PolarHBondContact O-N 2.79Å; I294-H296 PolarHBondContact O-N 3.29Å; H296-A299 WeakPolarHBondContact O-CB 3.18Å; H296-A299 PolarHBondContact O-N 2.82Å; H296-V300 WeakPolarHBondContact O-CG2 3.39Å; H296-V300 PolarHBondContact O-N 2.83Å
297	L	56.5	Low	53.6	Low	78 Å²	78	72.9 Å²	72.9	41%	0.408	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-45.2	172.8	-68.4	175	0	0	0	111.5	L241 I293 I294 A299 V300 S301	L241-L297 HydrophobicContact CD1-CB 3.44Å; L241-L297 VanDerWaalsContact CD1-CB 3.44Å; L241-L297 HydrophobicContact CD1-CD1 4.22Å; L241-L297 HydrophobicContact CD1-CG 4.49Å; L241-L297 HydrophobicContact CD2-CD1 4.25Å; I293-L297 HydrophobicContact CG2-CD1 3.7Å; I293-L297 HydrophobicContact CG2-CG 3.78Å; I293-L297 PolarHBondContact O-N 3.47Å; I294-L297 PolarHBondContact O-N 2.9Å; L297-A299 VanDerWaalsContact C-N 3.28Å; L297-A299 PolarHBondContact O-N 3.13Å; L297-V300 PolarHBondContact O-N 3.41Å; L297-S301 PolarHBondContact O-N 3.48Å; L297-S301 PolarHBondContact O-OG 2.96Å
298	I	61.5	Low	52.7	Low	18 Å²	18	75.4 Å²	75.4	9%	0.092	43%	0.429	C	S	.	.	H	α-helix	trans	-60.6	-37.2	175.1	-67.4	170.2	0	0	0	111.2	I238 L241 I294 S301 R302	I238-I298 HydrophobicContact CG2-CG2 4.47Å; L241-I298 HydrophobicContact CB-CD1 3.96Å; L241-I298 HydrophobicContact CB-CG1 3.74Å; L241-I298 HydrophobicContact CD1-CG1 3.82Å; L241-I298 HydrophobicContact CG-CG1 4.48Å; I294-I298 HydrophobicContact CG2-CD1 3.62Å; I294-I298 HydrophobicContact CG2-CG1 4.25Å; I294-I298 WeakPolarHBondContact O-CG1 3.35Å; I294-I298 PolarHBondContact O-N 3.49Å; I298-S301 PolarHBondContact O-N 2.86Å; I298-R302 HydrophobicContact CG2-CG 4.47Å; I298-R302 WeakPolarHBondContact O-CB 3.49Å; I298-R302 VanDerWaalsContact O-CG 3.27Å; I298-R302 WeakPolarHBondContact O-CG 3.33Å; I298-R302 PolarHBondContact O-N 3.26Å
299	A	50.1	Low	51.6	Low	52 Å²	52	78.8 Å²	78.8	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-65.4	-44	175.2	0	0	0	0	0	112.2	P295 H296 L297 R302 A303	P295-A299 WeakPolarHBondContact O-CB 3.23Å; P295-A299 PolarHBondContact O-N 3.49Å; H296-A299 WeakPolarHBondContact O-CB 3.18Å; H296-A299 PolarHBondContact O-N 2.82Å; L297-A299 VanDerWaalsContact C-N 3.28Å; L297-A299 PolarHBondContact O-N 3.13Å; A299-R302 PolarHBondContact O-N 3.46Å; A299-A303 PolarHBondContact O-N 2.78Å
300	V	53.3	Low	50.6	Low	91 Å²	91	78.8 Å²	78.8	55%	0.552	45%	0.453	S	S	*	.	H	α-helix	trans	-60.3	-45.8	174.3	171.3	0	0	0	0	111.1	H296 L297 R302 A303 A304	H296-V300 WeakPolarHBondContact O-CG2 3.39Å; H296-V300 PolarHBondContact O-N 2.83Å; L297-V300 PolarHBondContact O-N 3.41Å; V300-R302 VanDerWaalsContact C-N 3.32Å; V300-R302 PolarHBondContact O-N 3.2Å; V300-A303 PolarHBondContact O-N 3.29Å; V300-A304 PolarHBondContact O-N 2.92Å
301	S	52.7	Low	49.4	Very low	13 Å²	13	78.8 Å²	78.8	9%	0.091	46%	0.461	C	S	.	.	H	α-helix	trans	-65.7	-32	177.8	-54.5	0	0	0	0	113.2	L237 L297 I298	L237-S301 WeakPolarHBondContact CD2-OG 3.32Å; L297-S301 PolarHBondContact O-N 3.48Å; L297-S301 PolarHBondContact O-OG 2.96Å; I298-S301 PolarHBondContact O-N 2.86Å
302	R	54.4	Low	48	Very low	148 Å²	148	84.5 Å²	84.5	56%	0.558	49%	0.491	S	S	*	.	H	α-helix	trans	-74.2	-37.2	173.1	-75.7	173.8	179.6	154.3	3.4	112.7	I238 I298 A299 V300 A304 N305	I238-R302 HydrophobicContact CD1-CG 3.92Å; I298-R302 HydrophobicContact CG2-CG 4.47Å; I298-R302 WeakPolarHBondContact O-CB 3.49Å; I298-R302 VanDerWaalsContact O-CG 3.27Å; I298-R302 WeakPolarHBondContact O-CG 3.33Å; I298-R302 PolarHBondContact O-N 3.26Å; A299-R302 PolarHBondContact O-N 3.46Å; V300-R302 VanDerWaalsContact C-N 3.32Å; V300-R302 PolarHBondContact O-N 3.2Å; R302-A304 VanDerWaalsContact C-N 3.28Å; R302-A304 PolarHBondContact O-N 3.5Å; R302-N305 PolarHBondContact O-N 2.83Å
303	A	51.4	Low	46.6	Very low	57 Å²	57	89 Å²	89	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-62	-39.1	174	0	0	0	0	0	111.3	A299 V300 N305 Q306	A299-A303 PolarHBondContact O-N 2.78Å; V300-A303 PolarHBondContact O-N 3.29Å; A303-N305 PolarHBondContact O-N 2.71Å; A303-N305 VanDerWaalsContact O-N 3.11Å; A303-Q306 PolarHBondContact O-N 2.92Å
304	A	46.9	Very low	44.9	Very low	25 Å²	25	91.6 Å²	91.6	21%	0.207	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.9	177.2	0	0	0	0	0	114.6	H230 V300 R302	H230-A304 PolarHBondContact CE1-O 2.96Å; V300-A304 PolarHBondContact O-N 2.92Å; R302-A304 VanDerWaalsContact C-N 3.28Å; R302-A304 PolarHBondContact O-N 3.5Å
305	N	45.3	Very low	43.1	Very low	56 Å²	56	96.8 Å²	96.8	30%	0.299	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98	2.5	174.6	-72.2	-0.1	0	0	0	113.7	S234 R302 A303	S234-N305 PolarHBondContact OG-ND2 3.27Å; S234-N305 PolarHBondContact OG-OD1 2.69Å; R302-N305 PolarHBondContact O-N 2.83Å; A303-N305 PolarHBondContact O-N 2.71Å; A303-N305 VanDerWaalsContact O-N 3.11Å
306	Q	45	Very low	41.6	Very low	153 Å²	153	99 Å²	99	72%	0.715	58%	0.58	S	S	*	*			trans	-95.9	4.8	-178.2	-66.9	-173.8	49.5	0	0	114.5	A303 S308	A303-Q306 PolarHBondContact O-N 2.92Å; Q306-S308 PolarHBondContact O-N 3.01Å; Q306-S308 VanDerWaalsContact O-N 3.09Å
307	V	40	Very low	40	Very low	114 Å²	114	96.7 Å²	96.7	69%	0.691	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-2.5	-172.5	-166.4	0	0	0	0	113.3	N309	V307-N309 PolarHBondContact O-N 3.28Å
308	S	33.7	Very low	38.6	Very low	107 Å²	107	101.1 Å²	101.1	75%	0.748	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	9.6	-179.5	-46.3	0	0	0	0	116.1	Q306	Q306-S308 PolarHBondContact O-N 3.01Å; Q306-S308 VanDerWaalsContact O-N 3.09Å
309	N	30.2	Very low	36.9	Very low	130 Å²	130	106.1 Å²	106.1	70%	0.695	64%	0.642	S	S	*	*			trans	-137.5	100.4	175	-89	-49.3	0	0	0	110.4	V307 S311	V307-N309 PolarHBondContact O-N 3.28Å; N309-S311 VanDerWaalsContact C-N 3.26Å; N309-S311 PolarHBondContact O-N 2.97Å
310	P	28.9	Very low	35.7	Very low	124 Å²	124	109.1 Å²	109.1	81%	0.805	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	11.6	-172.3	33.2	-37	0	0	0	115
311	S	29.9	Very low	34.2	Very low	90 Å²	90	116.1 Å²	116.1	63%	0.629	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-10.1	-162.4	51.6	0	0	0	0	116.9	N309	N309-S311 VanDerWaalsContact C-N 3.26Å; N309-S311 PolarHBondContact O-N 2.97Å
312	L	29.9	Very low	33	Very low	161 Å²	161	123.6 Å²	123.6	84%	0.843	71%	0.714	S	S	*	*			trans	-145.5	76.8	-172.4	-70.3	175.6	0	0	0	113.1
313	L	28.6	Very low	31.5	Very low	165 Å²	165	120.8 Å²	120.8	86%	0.864	72%	0.717	S	S	*	*			trans	-154.2	86.9	168.1	-112.5	157.6	0	0	0	111.8
314	S	26.1	Very low	30.4	Very low	117 Å²	117	125.5 Å²	125.5	82%	0.818	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-72.1	133.1	165.4	-57.2	0	0	0	0	109.8	P316	S314-P316 WeakPolarHBondContact O-CD 3.3Å
315	S	23.8	Very low	29.4	Very low	119 Å²	119	131.7 Å²	131.7	83%	0.832	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-66	125.4	-176.4	-48.8	0	0	0	0	113.5
316	P	27.2	Very low	28.7	Very low	116 Å²	116	134.5 Å²	134.5	75%	0.753	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-85.3	138.3	154	33.4	-28.4	0	0	0	109.8	S314	S314-P316 WeakPolarHBondContact O-CD 3.3Å
317	A	25.1	Very low	27.7	Very low	97 Å²	97	133.7 Å²	133.7	80%	0.802	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-80.7	158.5	-179	0	0	0	0	0	113.1
318	L	26.6	Very low	27.1	Very low	171 Å²	171	134.7 Å²	134.7	90%	0.895	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-64.6	155	166.5	-70.9	163	0	0	0	111.2
319	P	26.3	Very low	26.8	Very low	122 Å²	122	135.6 Å²	135.6	79%	0.792	78%	0.782	S	S	*	*				-123.8	161.9	129.5	9	11.1	0	0	0	112.8
320	S	24	Very low	26.6	Very low	116 Å²	116	135.7 Å²	135.7	81%	0.811	78%	0.783	S	S	*	*			trans	-87.6	175.4	-173.2	52.2	0	0	0	0	114.6
321	R	23	Very low	26.5	Very low	237 Å²	237	135.4 Å²	135.4	89%	0.894	77%	0.774	S	S	*	*			trans	-39.7	146	167.7	-61.8	172.7	172.8	173	-3.9	113.2
322	I	27	Very low	26.4	Very low	170 Å²	170	136.7 Å²	136.7	87%	0.872	77%	0.774	S	S	*	*				-164.6	161.9	118	-99.3	154.7	0	0	0	109.4
323	S	23.8	Very low	26.2	Very low	89 Å²	89	136.2 Å²	136.2	62%	0.622	77%	0.772	S	S	*	*			trans	-109.8	158.1	-166.6	52.2	0	0	0	0	114.4
324	N	26.2	Very low	26.1	Very low	156 Å²	156	133.8 Å²	133.8	83%	0.834	77%	0.769	S	S	*	*			trans	88.7	148.8	157.5	-56.9	-18.8	0	0	0	120
325	L	26.6	Very low	26	Very low	156 Å²	156	131.6 Å²	131.6	82%	0.817	77%	0.765	S	S	*	*			trans	-70	172.4	174	-106.8	70.5	0	0	0	112.1
326	P	30.3	Very low	26.1	Very low	115 Å²	115	133.1 Å²	133.1	75%	0.747	76%	0.762	S	S	*	*			cis	-143.8	-166.4	34.9	42.1	-20.7	0	0	0	117.5
327	N	25.6	Very low	26.2	Very low	135 Å²	135	137.5 Å²	137.5	72%	0.722	77%	0.77	S	S	*	*			trans	-46.5	162	169.4	-49.5	-22.5	0	0	0	112.7
328	N	25.4	Very low	26.2	Very low	135 Å²	135	136.2 Å²	136.2	72%	0.722	77%	0.766	S	S	*	*			cis	-175.2	146.5	48.2	-157	22.8	0	0	0	114.5
329	I	28.2	Very low	26.4	Very low	126 Å²	126	134.2 Å²	134.2	65%	0.646	77%	0.766	S	S	*	*			trans	51.4	124.4	142.7	-81.6	173.1	0	0	0	123.1
330	N	25.9	Very low	26.4	Very low	133 Å²	133	139.5 Å²	139.5	71%	0.711	77%	0.77	S	S	*	*			trans	65.9	155.6	147.3	-68.5	7.9	0	0	0	120.6
331	N	27.6	Very low	26.6	Very low	117 Å²	117	143.7 Å²	143.7	63%	0.626	78%	0.775	S	S	*	*			cis	-153.9	157.5	1.4	-129	-2.1	0	0	0	114.6
332	N	27.3	Very low	26.7	Very low	118 Å²	118	136.2 Å²	136.2	63%	0.631	76%	0.763	S	S	*	*			trans	57.9	124.9	148.2	-63	-18.3	0	0	0	123.6
333	N	25.9	Very low	26.7	Very low	151 Å²	151	131.4 Å²	131.4	81%	0.807	76%	0.755	S	S	*	*			trans	54.5	142	131	-64.9	-7.9	0	0	0	121.7
334	S	25.8	Very low	26.8	Very low	113 Å²	113	134.9 Å²	134.9	79%	0.79	77%	0.765	S	S	*	*			cis	-170	140.2	-2.3	46.6	0	0	0	0	113.4
335	G	24.3	Very low	27	Very low	72 Å²	72	132.1 Å²	132.1	74%	0.742	76%	0.756	S	S	*	*			trans	93.7	155.1	140.3	0	0	0	0	0	120.8
336	I	26.5	Very low	26.9	Very low	150 Å²	150	132.3 Å²	132.3	77%	0.769	76%	0.758	S	S	*	*			trans	61.1	85.8	155.6	-34.1	179.2	0	0	0	118.8
337	F	29.7	Very low	26.7	Very low	209 Å²	209	136.9 Å²	136.9	92%	0.917	76%	0.76	S	S	*	*				-177.9	162.1	106.4	-103.2	-71	0	0	0	109.3
338	G	24	Very low	26.6	Very low	70 Å²	70	136.1 Å²	136.1	72%	0.722	76%	0.763	S	S	*	*			trans	-160.2	156.2	-177.5	0	0	0	0	0	115.6
339	S	31.6	Very low	26.6	Very low	128 Å²	128	134.5 Å²	134.5	90%	0.895	76%	0.758	S	S	*	*			trans	-132.6	143.7	173.7	-72.6	0	0	0	0	109.8
340	R	26	Very low	26.5	Very low	233 Å²	233	135.4 Å²	135.4	88%	0.879	76%	0.762	S	S	*	*			trans	-92.7	155.2	-174.3	-51	-177.4	-170.3	-174.2	2.9	108.7
341	F	27.4	Very low	26.5	Very low	205 Å²	205	136 Å²	136	90%	0.899	77%	0.765	S	S	*	*				-141.5	128.2	57.2	-88.9	-95.6	0	0	0	114.4
342	A	25.7	Very low	26.5	Very low	79 Å²	79	135.5 Å²	135.5	65%	0.653	77%	0.766	S	S	*	*			trans	-81.7	-176.5	147	0	0	0	0	0	108.7
343	G	26.1	Very low	26.4	Very low	69 Å²	69	134.9 Å²	134.9	71%	0.711	76%	0.763	S	S	*	*				65.1	147.4	67.5	0	0	0	0	0	112.4
344	I	26.1	Very low	26.5	Very low	162 Å²	162	136.1 Å²	136.1	83%	0.831	76%	0.756	S	S	*	*			cis	-138.2	-138.5	12.8	-40.6	177	0	0	0	110
345	P	31	Very low	26.5	Very low	99 Å²	99	140.6 Å²	140.6	64%	0.643	76%	0.756	S	S	*	*			trans	-101.8	-176.5	-138.3	43.9	-33	0	0	0	114.1
346	N	24	Very low	26.7	Very low	160 Å²	160	144.4 Å²	144.4	86%	0.856	76%	0.758	S	S	*	*				-164.2	136.4	115.8	-98.3	-32.2	0	0	0	113.6
347	R	26.3	Very low	26.9	Very low	211 Å²	211	141.7 Å²	141.7	80%	0.796	75%	0.75	S	S	*	*			trans	-118.9	120.3	174.4	175.6	-162.4	-174.7	-161.9	4.2	108.7	V349	R347-V349 HydrophobicContact CG-CG2 4.3Å
348	P	24.2	Very low	26.8	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	74%	0.739	S	S	*	*			trans	-102.4	114.8	140.1	31.2	-24.2	0	0	0	107.3
349	V	24.5	Very low	27	Very low	102 Å²	102	143.1 Å²	143.1	62%	0.618	74%	0.741	S	S	*	*				64.2	115.7	62.6	-176.3	0	0	0	0	110.4	R347	R347-V349 HydrophobicContact CG-CG2 4.3Å
350	I	26.2	Very low	26.8	Very low	144 Å²	144	142.6 Å²	142.6	74%	0.738	73%	0.732	S	S	*	*			trans	-81.5	133.5	-179.6	-63.2	158	0	0	0	108.6	V352	I350-V352 HydrophobicContact CG2-CG2 4.07Å
351	N	25.6	Very low	27.1	Very low	146 Å²	146	136.7 Å²	136.7	78%	0.781	72%	0.724	S	S	*	*			trans	-165.2	133.2	136.4	-93.5	-17.7	0	0	0	106.6
352	V	27.4	Very low	27.4	Very low	107 Å²	107	133.4 Å²	133.4	65%	0.648	72%	0.716	S	S	*	*				64.9	117.4	52	-176	0	0	0	0	108.8	I350	I350-V352 HydrophobicContact CG2-CG2 4.07Å
353	D	26.5	Very low	27.6	Very low	105 Å²	105	135.9 Å²	135.9	56%	0.561	72%	0.718	S	S	*	*			cis	-147.4	175.1	31.8	-146.6	-4.1	0	0	0	112.9
354	R	26.9	Very low	28.1	Very low	177 Å²	177	138.4 Å²	138.4	67%	0.668	72%	0.72	S	S	*	*			trans	27.7	147.2	143	-73.5	164.4	-169.2	156.7	-11.1	121.3
355	R	27.5	Very low	28.3	Very low	207 Å²	207	137.5 Å²	137.5	78%	0.781	72%	0.717	S	S	*	*			cis	-166.5	154.4	19.8	-132.4	160.7	-159.8	178.8	4.4	112.6
356	L	28.1	Very low	28.6	Very low	151 Å²	151	138.1 Å²	138.1	79%	0.791	72%	0.72	S	S	*	*			trans	-63.1	159.1	147.5	-112.3	79.2	0	0	0	109.3
357	P	30.7	Very low	29.2	Very low	93 Å²	93	135.5 Å²	135.5	60%	0.604	72%	0.721	S	S	*	*			cis	-157.8	177	49.8	46.6	-26.2	0	0	0	119.5
358	Q	26.7	Very low	29.4	Very low	147 Å²	147	129.9 Å²	129.9	69%	0.687	72%	0.72	S	S	*	*			trans	59.1	139.9	132.9	-79.2	163.7	-53.6	0	0	124.6
359	Q	27.7	Very low	30	Very low	163 Å²	163	129.8 Å²	129.8	76%	0.762	72%	0.719	S	S	*	*			trans	77.8	148.6	140.9	-73.8	165.2	-42.2	0	0	118.3
360	V	29.1	Very low	30.4	Very low	116 Å²	116	130.9 Å²	130.9	70%	0.703	73%	0.726	S	S	*	*			cis	-137.4	160.3	1.7	108.5	0	0	0	0	109.7
361	P	32.3	Very low	30.9	Very low	109 Å²	109	129.6 Å²	129.6	71%	0.708	72%	0.724	S	S	*	*			trans	-102.4	160.5	-178.2	39.1	-31	0	0	0	114.2
362	D	32.5	Very low	31.3	Very low	136 Å²	136	128.8 Å²	128.8	73%	0.727	72%	0.719	S	S	*	*			trans	-140	128.6	157.8	-92.3	-61.4	0	0	0	107.6
363	N	30	Very low	31.5	Very low	132 Å²	132	129.4 Å²	129.4	71%	0.706	72%	0.719	S	S	*	*				71.2	131.6	88.3	-111.9	-21.4	0	0	0	112.5
364	V	36.2	Very low	31.8	Very low	122 Å²	122	129.9 Å²	129.9	74%	0.739	72%	0.721	S	S	*	*			cis	-143.3	123.7	22.7	175.7	0	0	0	0	111.7
365	D	32.1	Very low	32.2	Very low	143 Å²	143	127.9 Å²	127.9	77%	0.765	72%	0.723	S	S	*	*				41.7	174.7	119.6	-118.1	23	0	0	0	122.6
366	P	37	Very low	32.3	Very low	111 Å²	111	123.4 Å²	123.4	72%	0.721	72%	0.715	S	S	*	*				-135	175.3	-117.8	39.5	-18.2	0	0	0	116.9
367	A	35.9	Very low	32.5	Very low	105 Å²	105	122.8 Å²	122.8	87%	0.868	71%	0.708	S	S	*	*			trans	-147	115.4	162.6	0	0	0	0	0	112.7
368	A	31.1	Very low	32.4	Very low	93 Å²	93	125.1 Å²	125.1	77%	0.769	71%	0.71	S	S	*	*			trans	-109.8	-157.8	162.2	0	0	0	0	0	106.8
369	P	35.8	Very low	32.6	Very low	116 Å²	116	125 Å²	125	75%	0.753	71%	0.71	S	S	*	*			cis	-134.6	-135.2	-5.6	29.8	-2.9	0	0	0	110.7
370	V	33.9	Very low	32.6	Very low	126 Å²	126	123.8 Å²	123.8	76%	0.764	71%	0.709	S	S	*	*			trans	74.8	125.6	158.5	162.7	0	0	0	0	115.1
371	V	35.4	Very low	32.7	Very low	116 Å²	116	123.6 Å²	123.6	70%	0.703	71%	0.708	S	S	*	*			cis	-169.4	-179.5	-2.3	72.8	0	0	0	0	107.5
372	L	34.3	Very low	32.7	Very low	129 Å²	129	126.1 Å²	126.1	68%	0.675	71%	0.71	S	S	*	*			cis	-162.2	144.4	8.3	-169.8	59.3	0	0	0	108
373	D	32.8	Very low	32.3	Very low	121 Å²	121	126.8 Å²	126.8	65%	0.647	71%	0.713	S	S	*	*			trans	60.5	153.6	142.5	-79.4	31.3	0	0	0	125.1
374	N	32.4	Very low	32.5	Very low	114 Å²	114	125.2 Å²	125.2	61%	0.61	71%	0.711	S	S	*	*			cis	-166.8	169.2	-22.3	-135	-30.1	0	0	0	112
375	L	35	Very low	32.3	Very low	136 Å²	136	127 Å²	127	71%	0.712	71%	0.714	S	S	*	*			trans	59.9	146.3	149.5	-65.2	168.2	0	0	0	120.4
376	N	30.1	Very low	31.9	Very low	112 Å²	112	128.6 Å²	128.6	60%	0.599	72%	0.717	S	S	*	*			cis	-165.2	174	-25.6	-137.6	18.4	0	0	0	111.3
377	H	32.2	Very low	31.7	Very low	138 Å²	138	128.6 Å²	128.6	64%	0.639	72%	0.717	S	S	*	*			trans	68.7	121.1	158.5	-67.4	-35.7	0	0	0	117.6
378	E	29	Very low	31.6	Very low	142 Å²	142	129.7 Å²	129.7	66%	0.664	71%	0.713	S	S	*	*				77.4	145.6	71	-76.2	-168.8	112.1	0	0	113.2
379	Q	30.8	Very low	31.4	Very low	145 Å²	145	132.7 Å²	132.7	68%	0.678	71%	0.714	S	S	*	*			cis	-149.7	135.1	8.7	-119.4	158.9	30	0	0	107.4
380	N	26.7	Very low	31.3	Very low	137 Å²	137	133 Å²	133	73%	0.733	72%	0.716	S	S	*	*				87.6	166.5	98.6	-164.7	17	0	0	0	115.5
381	V	31.4	Very low	31	Very low	113 Å²	113	130.3 Å²	130.3	69%	0.685	71%	0.714	S	S	*	*			trans	98.4	98.4	161.7	-170.1	0	0	0	0	120
382	Q	32.1	Very low	30.9	Very low	162 Å²	162	131.1 Å²	131.1	76%	0.757	72%	0.719	S	S	*	*			trans	61	107.3	140.2	-89.7	65.2	-19	0	0	123.9
383	D	23.8	Very low	30.6	Very low	149 Å²	149	136.6 Å²	136.6	80%	0.797	73%	0.73	S	S	*	*				-67.2	177.4	125.7	-110.2	-41.7	0	0	0	110.7
384	P	34	Very low	30.3	Very low	100 Å²	100	135 Å²	135	65%	0.649	73%	0.734	S	S	*	*			cis	-131.7	-159.2	-11.9	34.4	-12.5	0	0	0	112.3
385	I	32.2	Very low	30.3	Very low	158 Å²	158	135.3 Å²	135.3	81%	0.81	74%	0.742	S	S	*	*			trans	152.8	113.9	133.8	-77.9	160.8	0	0	0	113.4
386	H	24.8	Very low	29.9	Very low	177 Å²	177	136 Å²	136	82%	0.819	75%	0.746	S	S	*	*			trans	-74.4	161.3	156.9	-93.2	-73.3	0	0	0	109.7
387	P	32.9	Very low	30	Very low	111 Å²	111	138.8 Å²	138.8	72%	0.721	76%	0.759	S	S	*	*				-160.5	-154.1	53.9	38.5	-12	0	0	0	117.1
388	V	32.1	Very low	29.8	Very low	129 Å²	129	139.1 Å²	139.1	78%	0.782	77%	0.765	S	S	*	*			trans	107.4	136	157.1	-168.2	0	0	0	0	117.3
389	I	28.6	Very low	30.2	Very low	155 Å²	155	137 Å²	137	80%	0.795	76%	0.764	S	S	*	*			trans	-131.5	-148.1	-173.4	-7.4	175.7	0	0	0	105.8
390	P	32.1	Very low	30.4	Very low	124 Å²	124	135.6 Å²	135.6	81%	0.805	77%	0.767	S	S	*	*			cis	-126.7	176.2	-22.8	31.7	-11.2	0	0	0	114.6
391	G	29.2	Very low	30.5	Very low	69 Å²	69	136.2 Å²	136.2	71%	0.711	77%	0.771	S	S	*	*			trans	144.8	141.5	163.6	0	0	0	0	0	112.9
392	V	32.2	Very low	30.6	Very low	133 Å²	133	138 Å²	138	81%	0.806	78%	0.775	S	S	*	*			cis	-145.7	122.3	4.5	170.5	0	0	0	0	110.8
393	R	28.9	Very low	30.4	Very low	244 Å²	244	138.7 Å²	138.7	92%	0.921	78%	0.779	S	S	*	*			trans	55.5	131.2	142.5	-148.2	177.9	-148.5	148.2	2.4	121.3
394	A	25.3	Very low	30.7	Very low	87 Å²	87	136 Å²	136	72%	0.719	78%	0.777	S	S	*	*			trans	-137.6	155.6	160.6	0	0	0	0	0	110.7
395	P	33.1	Very low	30.6	Very low	121 Å²	121	138 Å²	138	79%	0.786	78%	0.782	S	S	*	*			trans	-109.2	133.1	155.1	34.3	-24.2	0	0	0	109.7
396	L	25.7	Very low	30.4	Very low	151 Å²	151	141 Å²	141	79%	0.791	78%	0.784	S	S	*	*			cis	59.2	90.6	46.1	-73.6	175.1	0	0	0	115.2
397	I	33.6	Very low	30.8	Very low	169 Å²	169	138 Å²	138	87%	0.867	78%	0.78	S	S	*	*			trans	-133.5	141.7	142.5	-60.1	-176.5	0	0	0	106.3
398	N	27.7	Very low	30.3	Very low	146 Å²	146	136.9 Å²	136.9	78%	0.781	79%	0.789	S	S	*	*			trans	-130.5	175.8	-172.2	-122	5.7	0	0	0	111
399	P	37.8	Very low	30	Very low	96 Å²	96	134.1 Å²	134.1	62%	0.623	79%	0.786	S	S	*	*			trans	-109.6	-178.5	-152	43.6	-40.8	0	0	0	115.6
400	P	33.9	Very low	30.1	Very low	117 Å²	117	134.4 Å²	134.4	76%	0.76	79%	0.788	S	S	*	*			trans	-94	138.7	145.4	35.2	-27.7	0	0	0	110.9
401	N	28.1	Very low	29.8	Very low	149 Å²	149	135.6 Å²	135.6	80%	0.797	79%	0.787	S	S	*	*			cis	88.6	149	46.6	-86.5	-0.6	0	0	0	115.4
402	L	33.7	Very low	29.8	Very low	150 Å²	150	142.7 Å²	142.7	79%	0.785	80%	0.799	S	S	*	*			trans	88.9	100.9	-164.2	-60.7	152.6	0	0	0	112.2
403	E	29.5	Very low	29.7	Very low	177 Å²	177	140.5 Å²	140.5	83%	0.827	80%	0.795	S	S	*	*				73.5	129.4	62.4	-63.9	179.8	108.7	0	0	112.7
404	A	29.9	Very low	29.8	Very low	93 Å²	93	135.2 Å²	135.2	77%	0.769	79%	0.792	S	S	*	*			cis	-152.4	-171.8	2.3	0	0	0	0	0	113.4
405	D	30.3	Very low	30.2	Very low	141 Å²	141	138.3 Å²	138.3	75%	0.754	79%	0.792	S	S	*	*			trans	-2.6	126.8	176.6	-83.1	-60	0	0	0	124
406	R	27.9	Very low	30.2	Very low	222 Å²	222	138.8 Å²	138.8	84%	0.838	80%	0.795	S	S	*	*				39	151.1	100	-120.7	-173.2	179.5	-164.3	0.5	120.3
407	P	33.6	Very low	30.3	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	79%	0.789	S	S	*	*				-133.5	144.8	-60.5	39.4	-25.3	0	0	0	115.2
408	G	24	Very low	30.2	Very low	88 Å²	88	137.9 Å²	137.9	91%	0.907	79%	0.791	S	S	*	*			trans	85.4	164.7	152.4	0	0	0	0	0	118.7
409	G	25	Very low	30.2	Very low	70 Å²	70	141.5 Å²	141.5	72%	0.722	79%	0.793	S	S	*	*			trans	130.5	150.6	170.4	0	0	0	0	0	116.2
410	L	29.9	Very low	29.8	Very low	162 Å²	162	144.7 Å²	144.7	85%	0.848	80%	0.804	S	S	*	*			trans	64.6	115.2	163.9	-46.1	-177.4	0	0	0	117.3
411	L	26.9	Very low	29.6	Very low	149 Å²	149	143.6 Å²	143.6	78%	0.78	81%	0.805	S	S	*	*			cis	89.8	116.2	32.9	-65.6	174.9	0	0	0	115.9
412	F	28.8	Very low	29.6	Very low	217 Å²	217	144.4 Å²	144.4	95%	0.952	81%	0.81	S	S	*	*			trans	-178.7	143	143.6	-81.2	-60.4	0	0	0	106.9
413	A	29.3	Very low	29.4	Very low	88 Å²	88	140.7 Å²	140.7	73%	0.727	81%	0.807	S	S	*	*			cis	-156.5	170	-13.8	0	0	0	0	0	109.2
414	P	31.1	Very low	29.5	Very low	133 Å²	133	136.1 Å²	136.1	86%	0.864	81%	0.808	S	S	*	*			trans	-111	-162.2	-155.1	42.8	-37	0	0	0	118.9
415	Q	33.7	Very low	29.6	Very low	152 Å²	152	137.6 Å²	137.6	71%	0.71	81%	0.812	S	S	*	*			trans	-74.3	-173.3	-167.1	-53.7	177.6	-22.7	0	0	116.8	N417	Q415-N417 PolarHBondContact OE1-ND2 2.92Å
416	P	33.8	Very low	30.1	Very low	130 Å²	130	136.4 Å²	136.4	84%	0.844	81%	0.813	S	S	*	*				-137.6	176.9	95.9	39.4	-27.7	0	0	0	117
417	N	27	Very low	30.4	Very low	125 Å²	125	131.4 Å²	131.4	67%	0.668	81%	0.809	S	S	*	*			trans	-101	170.6	-176.9	-74.6	-91.5	0	0	0	113.4	Q415	Q415-N417 PolarHBondContact OE1-ND2 2.92Å
418	I	33	Very low	30.1	Very low	177 Å²	177	132.2 Å²	132.2	91%	0.908	81%	0.811	S	S	*	*			trans	-155.1	166.4	136.7	-101.9	151.3	0	0	0	109.5
419	R	26.2	Very low	30.5	Very low	221 Å²	221	134.4 Å²	134.4	83%	0.834	81%	0.807	S	S	*	*			trans	-137.3	179.5	-157.7	-111	-178.4	167.4	-169.6	-4.3	113.4
420	L	30	Very low	30.7	Very low	164 Å²	164	135.9 Å²	135.9	86%	0.859	81%	0.806	S	S	*	*			trans	80.9	120.1	169.8	-59.7	115.1	0	0	0	114.3
421	A	29	Very low	30.9	Very low	94 Å²	94	137.1 Å²	137.1	78%	0.777	81%	0.807	S	S	*	*				88	148	70.9	0	0	0	0	0	111.4
422	D	29.2	Very low	31	Very low	166 Å²	166	138.6 Å²	138.6	89%	0.888	81%	0.81	S	S	*	*			cis	-151.9	166.7	10.5	-169.4	20.4	0	0	0	112.3
423	G	29	Very low	31.1	Very low	71 Å²	71	133.2 Å²	133.2	73%	0.732	80%	0.799	S	S	*	*			trans	39.2	133.8	149.7	0	0	0	0	0	124.6
424	G	32	Very low	31.3	Very low	82 Å²	82	134.7 Å²	134.7	85%	0.845	80%	0.8	S	S	*	*			trans	158.5	124.9	158.9	0	0	0	0	0	115.6
425	S	31.4	Very low	31.5	Very low	123 Å²	123	135.5 Å²	135.5	86%	0.86	80%	0.796	S	S	*	*			trans	-95.1	158.7	-178.8	-71.2	0	0	0	0	113.7
426	P	40.9	Very low	31.7	Very low	117 Å²	117	132.8 Å²	132.8	76%	0.76	79%	0.792	S	S	*	*			trans	-91.1	178.1	-169.1	39.4	-39.1	0	0	0	114
427	P	34.6	Very low	31.8	Very low	117 Å²	117	131.9 Å²	131.9	76%	0.76	79%	0.786	S	S	*	*				-147.8	158.2	100.2	39.1	-23.8	0	0	0	117.5
428	V	28.1	Very low	32.2	Very low	131 Å²	131	130.4 Å²	130.4	79%	0.794	78%	0.781	S	S	*	*			trans	22	110.3	146.3	-171.7	0	0	0	0	120
429	V	32.5	Very low	32.6	Very low	134 Å²	134	129.1 Å²	129.1	81%	0.812	78%	0.775	S	S	*	*			trans	-144.7	139.4	137.6	177.8	0	0	0	0	109.5
430	S	27.8	Very low	33	Very low	100 Å²	100	125 Å²	125	70%	0.699	77%	0.769	S	S	*	*			trans	-86.6	138.5	177.4	-45.3	0	0	0	0	112.6
431	Q	34	Very low	33.1	Very low	189 Å²	189	124.5 Å²	124.5	88%	0.883	76%	0.76	S	S	*	*			trans	-157	166	159.3	-116.5	161.6	47.8	0	0	113.9
432	H	30.2	Very low	33.2	Very low	179 Å²	179	126.2 Å²	126.2	83%	0.829	75%	0.752	S	S	*	*			trans	-109.5	151.2	-155.6	-71.7	-109.7	0	0	0	115.2
433	S	30.5	Very low	33.5	Very low	105 Å²	105	123.2 Å²	123.2	73%	0.734	74%	0.74	S	S	*	*			trans	62.9	134.9	138.5	-167	0	0	0	0	120.6
434	T	34.2	Very low	33.8	Very low	119 Å²	119	122.7 Å²	122.7	73%	0.73	72%	0.722	S	S	*	*				-173.4	158.8	113.8	23.5	0	0	0	0	113.1
435	N	34.3	Very low	34.1	Very low	149 Å²	149	122.5 Å²	122.5	80%	0.797	70%	0.701	S	S	*	*			trans	90.6	136.7	168.7	-55.1	-60.2	0	0	0	117.6
436	P	37.7	Very low	34.7	Very low	96 Å²	96	121.7 Å²	121.7	62%	0.623	70%	0.695	S	S	*	*				-131.8	163.2	-123	32.1	-12.2	0	0	0	117.7	V438	P436-V438 HydrophobicContact CG-CG2 4.16Å; P436-V438 PolarHBondContact O-N 2.97Å
437	P	35.7	Very low	34.7	Very low	110 Å²	110	120.2 Å²	120.2	71%	0.714	69%	0.688	S	S	*	*			trans	-83.8	66.7	-171.3	35.5	-38.4	0	0	0	114.1
438	V	36.4	Very low	35	Very low	94 Å²	94	114.8 Å²	114.8	57%	0.57	65%	0.653	S	S	*	*	H	α-helix	trans	-82.1	-44.6	-173.4	-174.3	0	0	0	0	113.6	P436 L440 K441	P436-V438 HydrophobicContact CG-CG2 4.16Å; P436-V438 PolarHBondContact O-N 2.97Å; V438-L440 PolarHBondContact O-N 3.12Å; V438-K441 PolarHBondContact O-N 3.19Å
439	L	40.6	Very low	35.7	Very low	150 Å²	150	109.7 Å²	109.7	79%	0.785	63%	0.627	S	S	*	*	H	α-helix	trans	-63.8	-37.1	-171.1	-77.6	169.2	0	0	0	114.1	K441 H442 V443	L439-K441 PolarHBondContact O-N 3.21Å; L439-H442 PolarHBondContact O-N 3.24Å; L439-V443 PolarHBondContact O-N 3.33Å
440	L	34.5	Very low	36.7	Very low	135 Å²	135	106.6 Å²	106.6	71%	0.707	61%	0.606	S	S	*	*	H	α-helix	trans	-68.3	-34.3	-179.1	-103.2	165	0	0	0	113	V438 H442 V444	V438-L440 PolarHBondContact O-N 3.12Å; L440-H442 VanDerWaalsContact C-N 3.31Å; L440-H442 PolarHBondContact O-N 3Å; L440-V444 WeakPolarHBondContact O-CG2 3.12Å; L440-V444 PolarHBondContact O-N 3.44Å
441	K	31.9	Very low	37.7	Very low	153 Å²	153	103.2 Å²	103.2	67%	0.665	59%	0.587	S	S	*	*	H	α-helix	trans	-60.5	-42.9	172.8	-79.6	-171.9	171.1	-174.5	0	111.3	V438 L439 V443 V444 L445	V438-K441 PolarHBondContact O-N 3.19Å; L439-K441 PolarHBondContact O-N 3.21Å; K441-V443 PolarHBondContact O-N 3.16Å; K441-V444 PolarHBondContact O-N 3.25Å; K441-L445 WeakPolarHBondContact O-CG 3.32Å; K441-L445 PolarHBondContact O-N 3.28Å; K441-L445 VanDerWaalsContact O-N 3.15Å
442	H	32.1	Very low	38.4	Very low	130 Å²	130	98.2 Å²	98.2	60%	0.602	57%	0.565	S	S	*	*	H	α-helix	trans	-71	-28.5	-174.5	-132.4	-63.2	0	0	0	114	L439 L440	L439-H442 PolarHBondContact O-N 3.24Å; L440-H442 VanDerWaalsContact C-N 3.31Å; L440-H442 PolarHBondContact O-N 3Å
443	V	34.8	Very low	39.3	Very low	104 Å²	104	93.4 Å²	93.4	63%	0.63	55%	0.548	S	S	*	.	H	α-helix	trans	-78.9	-36.1	176.3	177.4	0	0	0	0	111.9	L439 K441	L439-V443 PolarHBondContact O-N 3.33Å; K441-V443 PolarHBondContact O-N 3.16Å
444	V	34.7	Very low	40.2	Very low	59 Å²	59	91.5 Å²	91.5	36%	0.358	54%	0.539	S	S	.	.	H	α-helix	trans	-70.9	-32.6	177.4	173.5	0	0	0	0	112.1	L440 K441 S446 S447 I450	L440-V444 WeakPolarHBondContact O-CG2 3.12Å; L440-V444 PolarHBondContact O-N 3.44Å; K441-V444 PolarHBondContact O-N 3.25Å; V444-S446 VanDerWaalsContact C-N 3.26Å; V444-S446 PolarHBondContact O-N 2.89Å; V444-S447 PolarHBondContact O-N 3.41Å; V444-I450 HydrophobicContact CG1-CG1 4.36Å
445	L	39.1	Very low	40.6	Very low	79 Å²	79	87.7 Å²	87.7	41%	0.414	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-59.7	-30.9	178.9	-84.1	165.9	0	0	0	114	K441 S447 I450	K441-L445 WeakPolarHBondContact O-CG 3.32Å; K441-L445 PolarHBondContact O-N 3.28Å; K441-L445 VanDerWaalsContact O-N 3.15Å; L445-S447 VanDerWaalsContact C-N 3.25Å; L445-S447 PolarHBondContact O-N 3.28Å; L445-I450 HydrophobicContact CD2-CD1 3.53Å; L445-I450 HydrophobicContact CG-CD1 3.95Å
446	S	43.8	Very low	41.5	Very low	105 Å²	105	86.4 Å²	86.4	73%	0.734	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-76.8	-4.7	-177.1	-58.2	0	0	0	0	114.9	V444	V444-S446 VanDerWaalsContact C-N 3.26Å; V444-S446 PolarHBondContact O-N 2.89Å
447	S	41.3	Very low	41.9	Very low	86 Å²	86	90.1 Å²	90.1	60%	0.601	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-134.3	34.5	-174.1	64.8	0	0	0	0	114.1	V444 L445	V444-S447 PolarHBondContact O-N 3.41Å; L445-S447 VanDerWaalsContact C-N 3.25Å; L445-S447 PolarHBondContact O-N 3.28Å
448	G	40.7	Very low	42.5	Very low	3 Å²	3	88.8 Å²	88.8	3%	0.031	51%	0.512	C	S	.	.	S	Bend	trans	53.3	74.6	166.1	0	0	0	0	0	114.7	Y464 L719	G448-Y464 CarbonylContact C-O 3.5Å; G448-L719 WeakPolarHBondContact O-CD1 3.17Å
449	G	41.8	Very low	43.2	Very low	25 Å²	25	86.4 Å²	86.4	26%	0.258	50%	0.5	S	S	.	.			trans	-165.2	44.4	-169.3	0	0	0	0	0	115.5
450	I	53.9	Low	43.9	Very low	69 Å²	69	83 Å²	83	35%	0.354	49%	0.485	S	S	.	.			trans	-118.3	129.1	169.4	-62.6	-175	0	0	0	108.7	V444 L445 I452 Y464	V444-I450 HydrophobicContact CG1-CG1 4.36Å; L445-I450 HydrophobicContact CD2-CD1 3.53Å; L445-I450 HydrophobicContact CG-CD1 3.95Å; I450-I452 PolarHBondContact O-N 2.97Å; I450-Y464 HydrophobicContact CB-CE1 4.35Å; I450-Y464 WeakPolarHBondContact O-CD1 3.26Å; I450-Y464 VanDerWaalsContact O-CE1 3.29Å; I450-Y464 WeakPolarHBondContact O-CE1 3.26Å
451	G	48.7	Very low	45.2	Very low	29 Å²	29	78.9 Å²	78.9	30%	0.299	46%	0.463	S	S	.	.			trans	-70.2	119.9	173.1	0	0	0	0	0	111	Q462	G451-Q462 CarbonylContact C-O 3.39Å; G451-Q462 VanDerWaalsContact CA-O 3.31Å; G451-Q462 WeakPolarHBondContact CA-O 3.46Å
452	I	49.8	Very low	46.8	Very low	83 Å²	83	74.3 Å²	74.3	43%	0.426	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.9	163	-52.2	177.7	0	0	0	106.4	I450 Q462 Y464	I450-I452 PolarHBondContact O-N 2.97Å; I452-Q462 PolarHBondContact N-O 3Å; I452-Q462 WeakPolarHBondContact O-CB 3.23Å; I452-Q462 PolarHBondContact O-N 3.36Å; I452-Y464 HydrophobicContact CD1-CD1 4.41Å; I452-Y464 HydrophobicContact CG1-CD1 4.5Å
453	T	47.8	Very low	48.7	Very low	78 Å²	78	70.1 Å²	70.1	48%	0.479	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	124.1	166.1	48.8	0	0	0	0	108	S455	T453-S455 PolarHBondContact O-N 3.03Å; T453-S455 VanDerWaalsContact O-N 3.09Å
454	A	49.5	Very low	50.9	Low	66 Å²	66	66.6 Å²	66.6	55%	0.545	40%	0.399	S	S	.	.	S	Bend	trans	-61.8	-20.3	-174.9	0	0	0	0	0	114	D458	A454-D458 HydrophobicContact CB-CB 4.14Å
455	S	44.1	Very low	53.1	Low	38 Å²	38	63.9 Å²	63.9	27%	0.266	38%	0.383	S	S	.	.	S	Bend	trans	-154.7	155	178.7	163.1	0	0	0	0	108.1	T453 H457 D458	T453-S455 PolarHBondContact O-N 3.03Å; T453-S455 VanDerWaalsContact O-N 3.09Å; S455-H457 PolarHBondContact O-N 3.42Å; S455-H457 PolarHBondContact OG-N 2.73Å; S455-H457 VanDerWaalsContact OG-N 3.14Å; S455-D458 VanDerWaalsContact CB-OD2 3.29Å; S455-D458 WeakPolarHBondContact CB-OD2 3.46Å; S455-D458 PolarHBondContact O-N 3.21Å
456	P	52.1	Low	55.3	Low	123 Å²	123	63.5 Å²	63.5	80%	0.799	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-10.3	168.8	26.4	-36.1	0	0	0	114.1
457	H	47.2	Very low	57.2	Low	174 Å²	174	58.6 Å²	58.6	81%	0.806	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-4.7	173	-59	-61.3	0	0	0	114	S455	S455-H457 PolarHBondContact O-N 3.42Å; S455-H457 PolarHBondContact OG-N 2.73Å; S455-H457 VanDerWaalsContact OG-N 3.14Å
458	D	47.3	Very low	59.3	Low	81 Å²	81	58.7 Å²	58.7	43%	0.433	34%	0.336	S	S	.	.			trans	-86.9	120.9	178.3	-93.3	-56.5	0	0	0	112.2	A454 S455 V460	A454-D458 HydrophobicContact CB-CB 4.14Å; S455-D458 VanDerWaalsContact CB-OD2 3.29Å; S455-D458 WeakPolarHBondContact CB-OD2 3.46Å; S455-D458 PolarHBondContact O-N 3.21Å; D458-V460 PolarHBondContact O-N 3.18Å
459	S	52.2	Low	61.4	Low	45 Å²	45	58.7 Å²	58.7	32%	0.315	34%	0.336	S	S	.	.			trans	-79	3.6	-175.8	63.3	0	0	0	0	115.3	S729 Q732	S459-S729 WeakPolarHBondContact O-CB 3.5Å; S459-S729 PolarHBondContact O-N 2.73Å; S459-Q732 VanDerWaalsContact CB-CD 3.46Å; S459-Q732 VanDerWaalsContact CB-NE2 3.25Å; S459-Q732 VanDerWaalsContact CB-OE1 3.31Å; S459-Q732 PolarHBondContact OG-NE2 3.25Å; S459-Q732 PolarHBondContact OG-OE1 2.85Å
460	V	54.5	Low	63.5	Low	77 Å²	77	59.9 Å²	59.9	47%	0.467	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-94.4	121.1	-174	-174.5	0	0	0	0	111.2	D458 Q462	D458-V460 PolarHBondContact O-N 3.18Å; V460-Q462 PolarHBondContact O-N 2.79Å
461	I	61.4	Low	64.8	Low	49 Å²	49	56.6 Å²	56.6	25%	0.251	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	98.3	177.4	-63.9	178.3	0	0	0	108.9	Y463	I461-Y463 HydrophobicContact CG2-CD2 4.37Å; I461-Y463 HydrophobicContact CG2-CE1 4.21Å; I461-Y463 HydrophobicContact CG2-CE2 3.84Å; I461-Y463 PolarHBondContact O-N 2.96Å
462	Q	65.5	Low	66.2	Low	58 Å²	58	57.2 Å²	57.2	27%	0.271	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	111.9	173.1	-65.3	-171.7	-11	0	0	111.2	G451 I452 V460	G451-Q462 CarbonylContact C-O 3.39Å; G451-Q462 VanDerWaalsContact CA-O 3.31Å; G451-Q462 WeakPolarHBondContact CA-O 3.46Å; I452-Q462 PolarHBondContact N-O 3Å; I452-Q462 WeakPolarHBondContact O-CB 3.23Å; I452-Q462 PolarHBondContact O-N 3.36Å; V460-Q462 PolarHBondContact O-N 2.79Å
463	Y	72.2	Confident	67.3	Low	42 Å²	42	53.3 Å²	53.3	17%	0.165	29%	0.294	C	S	.	.			trans	-77.6	152.7	169.9	-59.4	-88	0	0	0	111.1	I461 L719 R722 N723 I727	I461-Y463 HydrophobicContact CG2-CD2 4.37Å; I461-Y463 HydrophobicContact CG2-CE1 4.21Å; I461-Y463 HydrophobicContact CG2-CE2 3.84Å; I461-Y463 PolarHBondContact O-N 2.96Å; Y463-L719 HydrophobicContact CD1-CD2 4.26Å; Y463-R722 HydrophobicContact CD2-CB 3.62Å; Y463-R722 HydrophobicContact CE2-CB 3.57Å; Y463-R722 HydrophobicContact CE2-CG 4.42Å; Y463-N723 WeakPolarHBondContact CA-OD1 3.31Å; Y463-N723 WeakPolarHBondContact CB-OD1 3.45Å; Y463-N723 WeakPolarHBondContact CD2-OD1 3.44Å; Y463-N723 PolarHBondContact N-OD1 3.4Å; Y463-N723 PolarHBondContact O-ND2 3.39Å; Y463-N723 PolarHBondContact O-OD1 3.06Å; Y463-I727 HydrophobicContact CE2-CD1 4.26Å
464	Y	80.1	Confident	68.4	Low	30 Å²	30	51.2 Å²	51.2	12%	0.118	28%	0.28	C	S	.	.			trans	-130.8	157	167.1	65.1	-86.9	0	0	0	108.7	G448 I450 I452 N466 Q520 F521	G448-Y464 CarbonylContact C-O 3.5Å; I450-Y464 HydrophobicContact CB-CE1 4.35Å; I450-Y464 WeakPolarHBondContact O-CD1 3.26Å; I450-Y464 VanDerWaalsContact O-CE1 3.29Å; I450-Y464 WeakPolarHBondContact O-CE1 3.26Å; I452-Y464 HydrophobicContact CD1-CD1 4.41Å; I452-Y464 HydrophobicContact CG1-CD1 4.5Å; Y464-N466 VanDerWaalsContact CD2-OD1 3.29Å; Y464-N466 WeakPolarHBondContact CD2-OD1 3.09Å; Y464-N466 WeakPolarHBondContact CE2-OD1 3.42Å; Y464-Q520 HydrophobicContact CD2-CG 4.04Å; Y464-Q520 VanDerWaalsContact CD2-NE2 3.33Å; Y464-F521 WeakPolarHBondContact CA-O 3.41Å
465	C	82.8	Confident	69	Low	1 Å²	1	49.2 Å²	49.2	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.9	170.9	71.6	0	0	0	0	112	F521 L720	C465-F521 PolarHBondContact N-O 2.82Å; C465-F521 PolarHBondContact O-N 2.93Å; C465-L720 HydrophobicContact CB-CG 4.49Å
466	N	84.3	Confident	69.9	Low	72 Å²	72	49.3 Å²	49.3	39%	0.385	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.2	174.5	-67.8	8.1	0	0	0	109.3	Y464 L519 Q520	Y464-N466 VanDerWaalsContact CD2-OD1 3.29Å; Y464-N466 WeakPolarHBondContact CD2-OD1 3.09Å; Y464-N466 WeakPolarHBondContact CE2-OD1 3.42Å; N466-L519 CarbonylContact C-O 3.41Å; N466-L519 VanDerWaalsContact CA-O 3.29Å; N466-L519 WeakPolarHBondContact CA-O 3.26Å; N466-Q520 WeakPolarHBondContact OD1-CG 3.32Å
467	I	84	Confident	70.1	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.4	179.3	-69.3	-175.6	0	0	0	109.3	L519 F521 L527 F530 V708 E712	I467-L519 PolarHBondContact N-O 3.39Å; I467-L519 PolarHBondContact O-N 3.24Å; I467-F521 HydrophobicContact CB-CE2 4.29Å; I467-F521 HydrophobicContact CD1-CD2 4.39Å; I467-F521 HydrophobicContact CD1-CE2 4.24Å; I467-L527 HydrophobicContact CD1-CD1 3.29Å; I467-F530 HydrophobicContact CG2-CE1 4.4Å; I467-V708 HydrophobicContact CG2-CG1 3.46Å; I467-V708 VanDerWaalsContact CG2-CG1 3.46Å; I467-E712 HydrophobicContact CG1-CB 4.47Å
468	K	85.4	Confident	70.8	Confident	88 Å²	88	39.8 Å²	39.8	38%	0.383	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.9	174.3	-67.5	170.6	-175.5	170.6	0	110.2	I516 E712	K468-I516 HydrophobicContact CB-CG2 4.19Å; K468-I516 HydrophobicContact CD-CG2 4.45Å; K468-I516 HydrophobicContact CG-CG2 4.2Å; K468-E712 PolarHBondContact N-OE2 2.7Å
469	L	85.5	Confident	71.1	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	108.8	165	174.7	66.5	0	0	0	107.7	V471 C517 L519 L539 L543 L706 V708	L469-V471 HydrophobicContact CD2-CG2 4.07Å; L469-V471 HydrophobicContact CG-CG2 3.85Å; L469-C517 HydrophobicContact CB-CB 4.25Å; L469-C517 PolarHBondContact N-O 3.09Å; L469-C517 PolarHBondContact O-N 3.17Å; L469-L519 HydrophobicContact CB-CD1 4.02Å; L469-L519 HydrophobicContact CB-CG 4.49Å; L469-L519 HydrophobicContact CD2-CD1 4.29Å; L469-L539 HydrophobicContact CD1-CD2 4.41Å; L469-L539 HydrophobicContact CD2-CD2 4.24Å; L469-L543 HydrophobicContact CD2-CD1 4.48Å; L469-L706 HydrophobicContact CD1-CB 4.28Å; L469-L706 HydrophobicContact CD1-CD2 4.27Å; L469-V708 HydrophobicContact CB-CG2 4.33Å; L469-V708 HydrophobicContact CD1-CG2 3.48Å; L469-V708 VanDerWaalsContact CD1-CG2 3.48Å
470	H	84.2	Confident	71.4	Confident	49 Å²	49	40.2 Å²	40.2	23%	0.227	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.6	168.5	-67.4	-118.2	0	0	0	108.2	E514 F515 L706 F707	H470-E514 IonicContact CE1-OE1 2.75Å; H470-E514 IonicContact CG-OE1 3.28Å; H470-E514 IonicContact ND1-OE1 2.97Å; H470-E514 PolarHBondContact ND1-OE1 2.89Å; H470-F515 CarbonylContact C-O 3.55Å; H470-F515 WeakPolarHBondContact CA-O 3.47Å; H470-L706 WeakPolarHBondContact O-CA 3.47Å; H470-F707 HydrophobicContact CB-CB 4.21Å; H470-F707 HydrophobicContact CB-CD1 4.49Å; H470-F707 PolarHBondContact N-O 2.81Å; H470-F707 PolarHBondContact O-N 3.49Å
471	V	81.1	Confident	71.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	110.6	178.7	-175.5	0	0	0	0	107.5	L469 E514 F515 L674 L704 L706	L469-V471 HydrophobicContact CD2-CG2 4.07Å; L469-V471 HydrophobicContact CG-CG2 3.85Å; V471-E514 CarbonylContact O-C 3.57Å; V471-E514 WeakPolarHBondContact O-CA 3.48Å; V471-F515 HydrophobicContact CB-CB 4.4Å; V471-F515 PolarHBondContact N-O 3.32Å; V471-F515 PolarHBondContact O-N 3.48Å; V471-L674 HydrophobicContact CB-CD2 4.3Å; V471-L674 HydrophobicContact CG1-CD2 4.07Å; V471-L674 HydrophobicContact CG2-CD1 4.22Å; V471-L704 HydrophobicContact CG1-CD1 3.89Å; V471-L704 HydrophobicContact CG1-CG 4.38Å; V471-L706 HydrophobicContact CB-CD2 4.15Å; V471-L706 HydrophobicContact CG1-CD2 3.88Å; V471-L706 HydrophobicContact CG2-CD2 3.78Å
472	N	78.9	Confident	71.8	Confident	43 Å²	43	37.2 Å²	37.2	23%	0.23	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.7	172.7	-169.2	43.6	0	0	0	110.6	D474 N513 N705	N472-D474 PolarHBondContact ND2-OD1 3.32Å; N472-D474 PolarHBondContact ND2-OD2 3.21Å; N472-N513 CarbonylContact C-O 3.57Å; N472-N513 WeakPolarHBondContact CA-O 3.49Å; N472-N513 VanDerWaalsContact OD1-C 3.3Å; N472-N513 VanDerWaalsContact OD1-CB 3.24Å; N472-N513 WeakPolarHBondContact OD1-CB 3.34Å; N472-N513 PolarHBondContact OD1-O 3.18Å; N472-N705 HydrophobicContact CB-CB 4.25Å; N472-N705 PolarHBondContact N-O 2.92Å; N472-N705 PolarHBondContact O-N 3.39Å
473	I	73.9	Confident	71.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	99.7	-177.6	-54.5	-177.1	0	0	0	109.4	F475 N513 F515 L547 F678 M681 F702 E703 L704	I473-F475 HydrophobicContact CB-CE2 4.41Å; I473-F475 HydrophobicContact CG2-CD2 4.36Å; I473-F475 HydrophobicContact CG2-CE1 4.31Å; I473-F475 HydrophobicContact CG2-CE2 3.79Å; I473-F475 HydrophobicContact CG2-CZ 3.77Å; I473-N513 PolarHBondContact N-O 2.95Å; I473-N513 VanDerWaalsContact O-CB 3.25Å; I473-N513 WeakPolarHBondContact O-CB 3.5Å; I473-N513 PolarHBondContact O-ND2 2.89Å; I473-F515 HydrophobicContact CD1-CD2 4.28Å; I473-F515 HydrophobicContact CD1-CE2 3.84Å; I473-F515 HydrophobicContact CG1-CE2 4.35Å; I473-L547 HydrophobicContact CD1-CD1 4.01Å; I473-F678 HydrophobicContact CD1-CD2 3.91Å; I473-F678 HydrophobicContact CG2-CD2 4.24Å; I473-F678 HydrophobicContact CG2-CE2 3.96Å; I473-M681 HydrophobicContact CD1-CE 4.45Å; I473-F702 HydrophobicContact CG2-CB 4.32Å; I473-F702 HydrophobicContact CG2-CD2 4Å; I473-F702 HydrophobicContact CG2-CG 4.41Å; I473-E703 WeakPolarHBondContact CA-O 3.42Å; I473-L704 HydrophobicContact CG1-CD1 4.42Å
474	D	69.2	Low	71.4	Confident	34 Å²	34	46.8 Å²	46.8	18%	0.182	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	103.1	-172.3	-65.4	-56.6	0	0	0	111.3	N472 G476 F702 E703 N705	N472-D474 PolarHBondContact ND2-OD1 3.32Å; N472-D474 PolarHBondContact ND2-OD2 3.21Å; D474-G476 PolarHBondContact O-N 3.4Å; D474-F702 WeakPolarHBondContact O-CA 3.46Å; D474-E703 HydrophobicContact CB-CB 4.32Å; D474-E703 PolarHBondContact N-O 3.26Å; D474-E703 PolarHBondContact O-N 3.47Å; D474-N705 PolarHBondContact OD2-ND2 2.94Å
475	F	63.7	Low	70.8	Confident	25 Å²	25	46.4 Å²	46.4	11%	0.11	23%	0.234	C	C	.	.			trans	-77.2	42.4	178.4	-63.7	-82.6	0	0	0	113.4	I473 R510 F678 M681 F702	I473-F475 HydrophobicContact CB-CE2 4.41Å; I473-F475 HydrophobicContact CG2-CD2 4.36Å; I473-F475 HydrophobicContact CG2-CE1 4.31Å; I473-F475 HydrophobicContact CG2-CE2 3.79Å; I473-F475 HydrophobicContact CG2-CZ 3.77Å; F475-R510 VanDerWaalsContact O-CZ 3.27Å; F475-R510 PolarHBondContact O-NH1 2.87Å; F475-R510 PolarHBondContact O-NH2 2.95Å; F475-F678 AromaticContact CE1-CE2 3.7Å; F475-F678 HydrophobicContact CE1-CE2 3.7Å; F475-F678 HydrophobicContact CE1-CZ 4.35Å; F475-F678 AromaticContact CZ-CD2 3.99Å; F475-F678 HydrophobicContact CZ-CD2 3.99Å; F475-F678 AromaticContact CZ-CE2 3.59Å; F475-F678 HydrophobicContact CZ-CE2 3.59Å; F475-M681 HydrophobicContact CE2-CE 4.1Å; F475-M681 HydrophobicContact CE2-SD 4.49Å; F475-M681 HydrophobicContact CZ-CE 4.17Å; F475-F702 HydrophobicContact CD1-CB 4.03Å; F475-F702 HydrophobicContact CE1-CB 4.3Å
476	G	62.1	Low	70	Confident	40 Å²	40	54 Å²	54	41%	0.412	27%	0.269	S	S	.	.	S	Bend	trans	67.9	177.6	-175.8	0	0	0	0	0	114.5	D474 R510	D474-G476 PolarHBondContact O-N 3.4Å; G476-R510 PolarHBondContact O-NH1 2.89Å; G476-R510 VanDerWaalsContact O-NH1 3.17Å
477	P	57.4	Low	69.1	Low	79 Å²	79	52 Å²	52	51%	0.513	26%	0.259	S	S	.	.			trans	-63.8	144	-171	26.8	-35.5	0	0	0	112.7	T479	P477-T479 PolarHBondContact O-N 3.18Å
478	S	60.5	Low	68.2	Low	17 Å²	17	58.5 Å²	58.5	12%	0.119	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-27.3	177.6	53.2	0	0	0	0	112.7	L224 E480 S481 L482	L224-S478 PolarHBondContact O-OG 3.27Å; S478-E480 PolarHBondContact O-N 2.87Å; S478-S481 PolarHBondContact O-N 3.1Å; S478-L482 VanDerWaalsContact O-CG 3.29Å; S478-L482 WeakPolarHBondContact O-CG 3.45Å; S478-L482 PolarHBondContact O-N 3.05Å
479	T	53.7	Low	67.2	Low	59 Å²	59	59 Å²	59	36%	0.362	30%	0.298	S	S	.	.	H	α-helix	trans	-55.6	-46.2	-179.2	53.5	0	0	0	0	113.2	P477 S481 L482 R483	P477-T479 PolarHBondContact O-N 3.18Å; T479-S481 VanDerWaalsContact C-N 3.27Å; T479-S481 PolarHBondContact O-N 2.98Å; T479-L482 PolarHBondContact O-N 3.3Å; T479-R483 WeakPolarHBondContact O-CB 3.3Å; T479-R483 WeakPolarHBondContact O-CG 3.46Å; T479-R483 PolarHBondContact O-N 3.22Å
480	E	58.8	Low	65.7	Low	76 Å²	76	67 Å²	67	36%	0.355	34%	0.336	S	S	.	.	H	α-helix	trans	-72.9	-20.5	-177.8	-108.2	42.3	-119.6	0	0	113.3	S478 R483 R484	S478-E480 PolarHBondContact O-N 2.87Å; E480-R483 WeakPolarHBondContact OE1-CD 3.29Å; E480-R483 IonicContact OE1-CZ 3.11Å; E480-R483 IonicContact OE1-NE 3.58Å; E480-R483 IonicContact OE1-NH1 2.77Å; E480-R483 PolarHBondContact OE1-NH1 3.11Å; E480-R483 IonicContact OE2-CZ 3.29Å; E480-R483 IonicContact OE2-NH1 3.59Å; E480-R483 PolarHBondContact OE2-NH1 3.07Å; E480-R484 PolarHBondContact O-NE 2.69Å
481	S	60.3	Low	64.7	Low	12 Å²	12	70.9 Å²	70.9	8%	0.084	35%	0.354	C	S	.	.	H	α-helix	trans	-81.4	-42.3	169.3	-55.6	0	0	0	0	110.5	S478 T479 R484 L506 R510	S478-S481 PolarHBondContact O-N 3.1Å; T479-S481 VanDerWaalsContact C-N 3.27Å; T479-S481 PolarHBondContact O-N 2.98Å; S481-R484 PolarHBondContact O-N 3.47Å; S481-L506 VanDerWaalsContact O-CD2 3.27Å; S481-L506 WeakPolarHBondContact O-CD2 3.44Å; S481-R510 PolarHBondContact OG-NE 3.33Å; S481-R510 PolarHBondContact OG-NH2 2.96Å
482	L	64	Low	64	Low	51 Å²	51	77.9 Å²	77.9	27%	0.267	39%	0.385	S	S	.	.	H	α-helix	trans	-68.1	-35.8	178.9	-67.1	172.8	0	0	0	113	S478 T479 R484 I485 A503 L507	S478-L482 VanDerWaalsContact O-CG 3.29Å; S478-L482 WeakPolarHBondContact O-CG 3.45Å; S478-L482 PolarHBondContact O-N 3.05Å; T479-L482 PolarHBondContact O-N 3.3Å; L482-R484 PolarHBondContact O-N 2.98Å; L482-I485 HydrophobicContact CD2-CD1 3.71Å; L482-I485 WeakPolarHBondContact O-CB 3.23Å; L482-I485 WeakPolarHBondContact O-CG1 3.49Å; L482-I485 PolarHBondContact O-N 3.24Å; L482-I485 VanDerWaalsContact O-N 3.15Å; L482-A503 HydrophobicContact CD2-CB 3.55Å; L482-L507 HydrophobicContact CD2-CG 4.44Å
483	R	64.7	Low	63.2	Low	182 Å²	182	81.2 Å²	81.2	69%	0.687	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-23	174	-79.4	170.9	177.2	158.1	1.6	113.6	T479 E480 I485	T479-R483 WeakPolarHBondContact O-CB 3.3Å; T479-R483 WeakPolarHBondContact O-CG 3.46Å; T479-R483 PolarHBondContact O-N 3.22Å; E480-R483 WeakPolarHBondContact OE1-CD 3.29Å; E480-R483 IonicContact OE1-CZ 3.11Å; E480-R483 IonicContact OE1-NE 3.58Å; E480-R483 IonicContact OE1-NH1 2.77Å; E480-R483 PolarHBondContact OE1-NH1 3.11Å; E480-R483 IonicContact OE2-CZ 3.29Å; E480-R483 IonicContact OE2-NH1 3.59Å; E480-R483 PolarHBondContact OE2-NH1 3.07Å; R483-I485 VanDerWaalsContact C-N 3.31Å
484	R	65.4	Low	63	Low	120 Å²	120	85.3 Å²	85.3	45%	0.453	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.6	176.9	-73.9	-176.8	-104.9	-162.4	-11.3	113.7	E480 S481 L482 E698	E480-R484 PolarHBondContact O-NE 2.69Å; S481-R484 PolarHBondContact O-N 3.47Å; L482-R484 PolarHBondContact O-N 2.98Å; R484-E698 IonicContact CZ-OE1 2.67Å; R484-E698 IonicContact CZ-OE2 3.81Å; R484-E698 IonicContact NH1-OE1 3.39Å; R484-E698 IonicContact NH1-OE2 2.73Å; R484-E698 PolarHBondContact NH1-OE2 3.47Å; R484-E698 IonicContact NH2-OE1 3.44Å; R484-E698 PolarHBondContact NH2-OE1 3.05Å; R484-E698 IonicContact NH2-OE2 3.11Å; R484-E698 PolarHBondContact NH2-OE2 3.41Å; R484-E698 VanDerWaalsContact NH2-OE2 3.11Å
485	I	66.2	Low	63.1	Low	21 Å²	21	88.1 Å²	88.1	11%	0.108	42%	0.424	C	S	.	.			trans	-74.3	128.1	179.1	-60.4	171.5	0	0	0	110.1	L482 R483 F499 Q502 A503 L506	L482-I485 HydrophobicContact CD2-CD1 3.71Å; L482-I485 WeakPolarHBondContact O-CB 3.23Å; L482-I485 WeakPolarHBondContact O-CG1 3.49Å; L482-I485 PolarHBondContact O-N 3.24Å; L482-I485 VanDerWaalsContact O-N 3.15Å; R483-I485 VanDerWaalsContact C-N 3.31Å; I485-F499 HydrophobicContact CB-CD1 4.35Å; I485-F499 HydrophobicContact CG2-CD1 3.62Å; I485-F499 HydrophobicContact CG2-CE1 4.04Å; I485-Q502 HydrophobicContact CD1-CB 4.37Å; I485-Q502 HydrophobicContact CG2-CB 3.67Å; I485-Q502 HydrophobicContact CG2-CG 4.34Å; I485-A503 HydrophobicContact CD1-CB 3.73Å; I485-L506 HydrophobicContact CD1-CD2 4.15Å; I485-L506 HydrophobicContact CG1-CD2 4.15Å
486	Q	66.7	Low	63.1	Low	160 Å²	160	91.5 Å²	91.5	75%	0.748	44%	0.44	S	S	*	.			trans	-127.6	153.9	174.9	-62	-175.2	1.4	0	0	110	Q502	Q486-Q502 PolarHBondContact O-NE2 2.86Å; Q486-Q502 PolarHBondContact O-OE1 3.25Å
487	T	66.4	Low	63.6	Low	30 Å²	30	93.5 Å²	93.5	18%	0.184	44%	0.441	C	S	.	.			trans	-145.6	139.2	175.4	164.9	0	0	0	0	110.4	R489 R495 D498 F499	T487-R489 PolarHBondContact OG1-N 2.78Å; T487-R495 HydrophobicContact CG2-CG 3.53Å; T487-D498 PolarHBondContact OG1-OD2 2.83Å; T487-F499 HydrophobicContact CG2-CD1 4.2Å; T487-F499 HydrophobicContact CG2-CD2 3.86Å; T487-F499 HydrophobicContact CG2-CE1 3.98Å; T487-F499 HydrophobicContact CG2-CE2 3.64Å; T487-F499 HydrophobicContact CG2-CG 4.13Å; T487-F499 HydrophobicContact CG2-CZ 3.69Å
488	V	63.6	Low	64.2	Low	138 Å²	138	90.7 Å²	90.7	84%	0.836	42%	0.422	S	S	*	.			trans	-87.9	-6	-175.2	-171.5	0	0	0	0	111.4
489	R	63.9	Low	64.8	Low	98 Å²	98	94.1 Å²	94.1	37%	0.37	44%	0.435	S	S	.	.			trans	-74.4	136.4	-173.5	-65.4	-154.6	-169	126.6	30.2	113.2	T487 E494 R495 D498	T487-R489 PolarHBondContact OG1-N 2.78Å; R489-E494 VanDerWaalsContact CD-OE2 3.3Å; R489-E494 WeakPolarHBondContact CD-OE2 3.47Å; R489-R495 PolarHBondContact O-NE 3.07Å; R489-R495 PolarHBondContact O-NH2 2.96Å; R489-D498 IonicContact CZ-OD1 2.73Å; R489-D498 IonicContact CZ-OD2 3.11Å; R489-D498 IonicContact NE-OD2 2.74Å; R489-D498 PolarHBondContact NE-OD2 3.21Å; R489-D498 IonicContact NH1-OD1 2.85Å; R489-D498 PolarHBondContact NH1-OD1 3.4Å; R489-D498 IonicContact NH1-OD2 2.73Å; R489-D498 PolarHBondContact NH1-OD2 3.03Å; R489-D498 IonicContact NH2-OD1 3.8Å; R489-D498 PolarHBondContact NH2-OD1 3.11Å; R489-D498 IonicContact NH2-OD2 3.24Å; R489-D498 PolarHBondContact NH2-OD2 3.22Å
490	H	54.2	Low	65.5	Low	174 Å²	174	94.1 Å²	94.1	81%	0.806	43%	0.43	S	S	*	.			trans	-79.7	-40.1	-178.4	-73.6	-89.5	0	0	0	113	R495	H490-R495 PolarHBondContact O-NH2 3.24Å
491	E	64.9	Low	66.1	Low	130 Å²	130	94.7 Å²	94.7	61%	0.607	44%	0.435	S	S	*	.	S	Bend	trans	-72	135.2	-179.7	-70.2	-154	173.1	0	0	113	F493 E494 R495	E491-F493 PolarHBondContact O-N 2.77Å; E491-E494 HydrophobicContact CB-CB 4.38Å; E491-E494 HydrophobicContact CB-CG 4.27Å; E491-E494 PolarHBondContact O-N 2.87Å; E491-R495 WeakPolarHBondContact O-CB 3.26Å; E491-R495 PolarHBondContact O-N 2.85Å
492	F	65	Low	66.7	Low	147 Å²	147	97.9 Å²	97.9	65%	0.645	45%	0.448	S	S	*	.	H	α-helix	trans	-61.6	-41.1	-175.1	-174	-100.5	0	0	0	113.3	Q496	F492-Q496 VanDerWaalsContact CZ-NE2 3.26Å; F492-Q496 WeakPolarHBondContact O-CG 3.11Å; F492-Q496 PolarHBondContact O-N 3.27Å
493	F	63.6	Low	66.9	Low	113 Å²	113	96 Å²	96	50%	0.496	44%	0.44	S	S	.	.	H	α-helix	trans	-70.8	-47.7	-179.4	-177	-110.7	0	0	0	112	E491 R495 Q496 I497	E491-F493 PolarHBondContact O-N 2.77Å; F493-R495 VanDerWaalsContact C-N 3.29Å; F493-R495 PolarHBondContact O-N 2.73Å; F493-Q496 PolarHBondContact O-N 2.8Å; F493-I497 HydrophobicContact CD1-CD1 3.93Å; F493-I497 HydrophobicContact CE1-CD1 3.46Å; F493-I497 VanDerWaalsContact CE1-CD1 3.46Å; F493-I497 HydrophobicContact CE2-CD1 4.35Å; F493-I497 HydrophobicContact CZ-CD1 3.7Å; F493-I497 PolarHBondContact O-N 2.92Å
494	E	67.8	Low	66.9	Low	85 Å²	85	87.6 Å²	87.6	40%	0.397	41%	0.409	S	S	.	.	H	α-helix	trans	-62.1	-38.6	174.9	-62.4	-155.1	120.7	0	0	112.2	R489 E491 Q496 I497 D498	R489-E494 VanDerWaalsContact CD-OE2 3.3Å; R489-E494 WeakPolarHBondContact CD-OE2 3.47Å; E491-E494 HydrophobicContact CB-CB 4.38Å; E491-E494 HydrophobicContact CB-CG 4.27Å; E491-E494 PolarHBondContact O-N 2.87Å; E494-Q496 PolarHBondContact O-N 2.81Å; E494-I497 PolarHBondContact O-N 2.96Å; E494-D498 PolarHBondContact O-N 2.96Å
495	R	71.4	Confident	67	Low	94 Å²	94	85.8 Å²	85.8	36%	0.355	41%	0.408	S	S	.	.	H	α-helix	trans	-60.4	-42.7	174.9	-172.1	-174.3	-67.8	179.1	-1.5	111.7	T487 R489 H490 E491 F493 D498 F499	T487-R495 HydrophobicContact CG2-CG 3.53Å; R489-R495 PolarHBondContact O-NE 3.07Å; R489-R495 PolarHBondContact O-NH2 2.96Å; H490-R495 PolarHBondContact O-NH2 3.24Å; E491-R495 WeakPolarHBondContact O-CB 3.26Å; E491-R495 PolarHBondContact O-N 2.85Å; F493-R495 VanDerWaalsContact C-N 3.29Å; F493-R495 PolarHBondContact O-N 2.73Å; R495-D498 PolarHBondContact O-N 3.11Å; R495-F499 HydrophobicContact CG-CD2 3.86Å; R495-F499 HydrophobicContact CG-CE2 3.65Å; R495-F499 WeakPolarHBondContact O-CB 3.45Å; R495-F499 WeakPolarHBondContact O-CD2 3.25Å; R495-F499 PolarHBondContact O-N 2.94Å
496	Q	65.5	Low	67	Low	95 Å²	95	87 Å²	87	44%	0.444	42%	0.415	S	S	.	.	H	α-helix	trans	-66.2	-39.4	174.9	-76.4	-172.7	-8.7	0	0	112.7	F492 F493 E494 F499 F500	F492-Q496 VanDerWaalsContact CZ-NE2 3.26Å; F492-Q496 WeakPolarHBondContact O-CG 3.11Å; F492-Q496 PolarHBondContact O-N 3.27Å; F493-Q496 PolarHBondContact O-N 2.8Å; E494-Q496 PolarHBondContact O-N 2.81Å; Q496-F499 PolarHBondContact O-N 3.12Å; Q496-F500 WeakPolarHBondContact O-CB 3.03Å; Q496-F500 PolarHBondContact O-N 3.13Å
497	I	71.4	Confident	66.9	Low	82 Å²	82	79.9 Å²	79.9	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-63.1	-42.8	174.1	-71.6	174.5	0	0	0	110.9	F493 E494 F500 L501	F493-I497 HydrophobicContact CD1-CD1 3.93Å; F493-I497 HydrophobicContact CE1-CD1 3.46Å; F493-I497 VanDerWaalsContact CE1-CD1 3.46Å; F493-I497 HydrophobicContact CE2-CD1 4.35Å; F493-I497 HydrophobicContact CZ-CD1 3.7Å; F493-I497 PolarHBondContact O-N 2.92Å; E494-I497 PolarHBondContact O-N 2.96Å; I497-F500 PolarHBondContact O-N 3.05Å; I497-L501 VanDerWaalsContact O-CB 3.29Å; I497-L501 WeakPolarHBondContact O-CB 3.3Å; I497-L501 PolarHBondContact O-N 2.88Å
498	D	70.7	Confident	66.7	Low	21 Å²	21	82.4 Å²	82.4	11%	0.112	39%	0.39	C	S	.	.	H	α-helix	trans	-66.1	-44.2	176.7	-87.2	5.3	0	0	0	112.4	T487 R489 E494 R495 F500 L501 Q502	T487-D498 PolarHBondContact OG1-OD2 2.83Å; R489-D498 IonicContact CZ-OD1 2.73Å; R489-D498 IonicContact CZ-OD2 3.11Å; R489-D498 IonicContact NE-OD2 2.74Å; R489-D498 PolarHBondContact NE-OD2 3.21Å; R489-D498 IonicContact NH1-OD1 2.85Å; R489-D498 PolarHBondContact NH1-OD1 3.4Å; R489-D498 IonicContact NH1-OD2 2.73Å; R489-D498 PolarHBondContact NH1-OD2 3.03Å; R489-D498 IonicContact NH2-OD1 3.8Å; R489-D498 PolarHBondContact NH2-OD1 3.11Å; R489-D498 IonicContact NH2-OD2 3.24Å; R489-D498 PolarHBondContact NH2-OD2 3.22Å; E494-D498 PolarHBondContact O-N 2.96Å; R495-D498 PolarHBondContact O-N 3.11Å; D498-F500 VanDerWaalsContact C-N 3.32Å; D498-F500 PolarHBondContact O-N 3.09Å; D498-L501 PolarHBondContact O-N 2.82Å; D498-Q502 WeakPolarHBondContact O-CB 3.42Å; D498-Q502 WeakPolarHBondContact O-CG 3.41Å; D498-Q502 PolarHBondContact O-N 2.74Å
499	F	72.7	Confident	66.5	Low	89 Å²	89	79.1 Å²	79.1	39%	0.39	37%	0.371	S	S	.	.	H	α-helix	trans	-57.1	-47.1	172.6	-85.9	-58.6	0	0	0	110.9	I485 T487 R495 Q496 A503	I485-F499 HydrophobicContact CB-CD1 4.35Å; I485-F499 HydrophobicContact CG2-CD1 3.62Å; I485-F499 HydrophobicContact CG2-CE1 4.04Å; T487-F499 HydrophobicContact CG2-CD1 4.2Å; T487-F499 HydrophobicContact CG2-CD2 3.86Å; T487-F499 HydrophobicContact CG2-CE1 3.98Å; T487-F499 HydrophobicContact CG2-CE2 3.64Å; T487-F499 HydrophobicContact CG2-CG 4.13Å; T487-F499 HydrophobicContact CG2-CZ 3.69Å; R495-F499 HydrophobicContact CG-CD2 3.86Å; R495-F499 HydrophobicContact CG-CE2 3.65Å; R495-F499 WeakPolarHBondContact O-CB 3.45Å; R495-F499 WeakPolarHBondContact O-CD2 3.25Å; R495-F499 PolarHBondContact O-N 2.94Å; Q496-F499 PolarHBondContact O-N 3.12Å; F499-A503 WeakPolarHBondContact O-CB 3.24Å; F499-A503 PolarHBondContact O-N 3.41Å
500	F	69.4	Low	66.2	Low	59 Å²	59	76.8 Å²	76.8	26%	0.259	36%	0.362	S	S	.	.	H	α-helix	trans	-61.9	-44.4	176.9	178.6	-83.4	0	0	0	112	L233 L237 Q496 I497 D498 A503 S504	L233-F500 HydrophobicContact CB-CE2 4.04Å; L237-F500 HydrophobicContact CB-CE2 4.03Å; L237-F500 HydrophobicContact CB-CZ 4.18Å; L237-F500 HydrophobicContact CD1-CD1 3.79Å; L237-F500 HydrophobicContact CD1-CD2 4.13Å; L237-F500 HydrophobicContact CD1-CE1 3.43Å; L237-F500 VanDerWaalsContact CD1-CE1 3.43Å; L237-F500 HydrophobicContact CD1-CE2 3.74Å; L237-F500 HydrophobicContact CD1-CG 4.16Å; L237-F500 HydrophobicContact CD1-CZ 3.41Å; L237-F500 VanDerWaalsContact CD1-CZ 3.41Å; L237-F500 HydrophobicContact CG-CZ 4.38Å; Q496-F500 WeakPolarHBondContact O-CB 3.03Å; Q496-F500 PolarHBondContact O-N 3.13Å; I497-F500 PolarHBondContact O-N 3.05Å; D498-F500 VanDerWaalsContact C-N 3.32Å; D498-F500 PolarHBondContact O-N 3.09Å; F500-A503 PolarHBondContact O-N 3.2Å; F500-S504 WeakPolarHBondContact O-CB 3.49Å; F500-S504 PolarHBondContact O-N 3.21Å
501	L	71.2	Confident	66.2	Low	88 Å²	88	71 Å²	71	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-68.8	-43.5	-176.8	-176.2	59.9	0	0	0	111.3	I497 D498 N505	I497-L501 VanDerWaalsContact O-CB 3.29Å; I497-L501 WeakPolarHBondContact O-CB 3.3Å; I497-L501 PolarHBondContact O-N 2.88Å; D498-L501 PolarHBondContact O-N 2.82Å; L501-N505 VanDerWaalsContact O-CB 3.32Å; L501-N505 WeakPolarHBondContact O-CB 3.36Å; L501-N505 PolarHBondContact O-N 2.93Å; L501-N505 PolarHBondContact O-ND2 3.22Å
502	Q	71.8	Confident	65.7	Low	78 Å²	78	68.3 Å²	68.3	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-63.7	-46.9	173.7	-71.4	-171.7	67.6	0	0	111.4	I485 Q486 D498 S504 N505 L506	I485-Q502 HydrophobicContact CD1-CB 4.37Å; I485-Q502 HydrophobicContact CG2-CB 3.67Å; I485-Q502 HydrophobicContact CG2-CG 4.34Å; Q486-Q502 PolarHBondContact O-NE2 2.86Å; Q486-Q502 PolarHBondContact O-OE1 3.25Å; D498-Q502 WeakPolarHBondContact O-CB 3.42Å; D498-Q502 WeakPolarHBondContact O-CG 3.41Å; D498-Q502 PolarHBondContact O-N 2.74Å; Q502-S504 PolarHBondContact O-N 3.25Å; Q502-N505 PolarHBondContact O-N 2.77Å; Q502-L506 VanDerWaalsContact O-CB 3.31Å; Q502-L506 WeakPolarHBondContact O-CB 3.43Å; Q502-L506 PolarHBondContact O-N 3.26Å
503	A	68.1	Low	65.7	Low	12 Å²	12	62.5 Å²	62.5	10%	0.099	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-44.5	176.8	0	0	0	0	0	112	L482 I485 F499 F500 N505 L506 L507	L482-A503 HydrophobicContact CD2-CB 3.55Å; I485-A503 HydrophobicContact CD1-CB 3.73Å; F499-A503 WeakPolarHBondContact O-CB 3.24Å; F499-A503 PolarHBondContact O-N 3.41Å; F500-A503 PolarHBondContact O-N 3.2Å; A503-N505 VanDerWaalsContact C-N 3.35Å; A503-N505 PolarHBondContact O-N 3.07Å; A503-L506 PolarHBondContact O-N 3.12Å; A503-L507 WeakPolarHBondContact O-CB 3.44Å; A503-L507 VanDerWaalsContact O-CG 3.23Å; A503-L507 WeakPolarHBondContact O-CG 3.3Å; A503-L507 PolarHBondContact O-N 3.33Å
504	S	65.6	Low	65.9	Low	6 Å²	6	62.5 Å²	62.5	4%	0.042	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-41.7	177.1	-172	0	0	0	0	111.2	F500 Q502 K508	F500-S504 WeakPolarHBondContact O-CB 3.49Å; F500-S504 PolarHBondContact O-N 3.21Å; Q502-S504 PolarHBondContact O-N 3.25Å; S504-K508 VanDerWaalsContact O-CB 3.3Å; S504-K508 WeakPolarHBondContact O-CB 3.42Å; S504-K508 VanDerWaalsContact O-CD 3.26Å; S504-K508 WeakPolarHBondContact O-CD 3.42Å; S504-K508 WeakPolarHBondContact O-CG 3.47Å; S504-K508 PolarHBondContact O-N 3.14Å; S504-K508 VanDerWaalsContact OG-CE 3.3Å; S504-K508 WeakPolarHBondContact OG-CE 3.32Å; S504-K508 PolarHBondContact OG-NZ 3.21Å
505	N	66.6	Low	66	Low	81 Å²	81	60.1 Å²	60.1	43%	0.433	30%	0.3	S	S	.	.	H	α-helix	trans	-68.3	-41.9	177.4	-70.6	-16.5	0	0	0	112.3	L501 Q502 A503 K508 T509	L501-N505 VanDerWaalsContact O-CB 3.32Å; L501-N505 WeakPolarHBondContact O-CB 3.36Å; L501-N505 PolarHBondContact O-N 2.93Å; L501-N505 PolarHBondContact O-ND2 3.22Å; Q502-N505 PolarHBondContact O-N 2.77Å; A503-N505 VanDerWaalsContact C-N 3.35Å; A503-N505 PolarHBondContact O-N 3.07Å; N505-K508 WeakPolarHBondContact O-CB 3.46Å; N505-K508 PolarHBondContact O-N 2.99Å; N505-T509 PolarHBondContact O-N 3.11Å; N505-T509 PolarHBondContact O-OG1 3.34Å
506	L	66.2	Low	66.3	Low	47 Å²	47	59.2 Å²	59.2	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-66.1	-39.2	177.5	-173.3	63.8	0	0	0	112.5	S481 I485 Q502 A503 T509 R510	S481-L506 VanDerWaalsContact O-CD2 3.27Å; S481-L506 WeakPolarHBondContact O-CD2 3.44Å; I485-L506 HydrophobicContact CD1-CD2 4.15Å; I485-L506 HydrophobicContact CG1-CD2 4.15Å; Q502-L506 VanDerWaalsContact O-CB 3.31Å; Q502-L506 WeakPolarHBondContact O-CB 3.43Å; Q502-L506 PolarHBondContact O-N 3.26Å; A503-L506 PolarHBondContact O-N 3.12Å; L506-T509 WeakPolarHBondContact CA-OG1 3.33Å; L506-T509 PolarHBondContact O-OG1 3.19Å; L506-R510 PolarHBondContact O-N 3.02Å
507	L	64.8	Low	67	Low	10 Å²	10	55.1 Å²	55.1	5%	0.052	28%	0.284	C	S	.	.	H	α-helix	trans	-69.1	-33.7	172.5	-69.1	171.4	0	0	0	111.7	V229 L233 L482 A503 R510 S511	V229-L507 HydrophobicContact CG1-CD1 4.2Å; L233-L507 HydrophobicContact CD1-CD1 4.05Å; L482-L507 HydrophobicContact CD2-CG 4.44Å; A503-L507 WeakPolarHBondContact O-CB 3.44Å; A503-L507 VanDerWaalsContact O-CG 3.23Å; A503-L507 WeakPolarHBondContact O-CG 3.3Å; A503-L507 PolarHBondContact O-N 3.33Å; L507-R510 CarbonylContact O-C 3.55Å; L507-R510 PolarHBondContact O-N 2.74Å; L507-S511 PolarHBondContact O-N 2.86Å; L507-S511 PolarHBondContact O-OG 2.85Å
508	K	62.5	Low	67.5	Low	84 Å²	84	55.3 Å²	55.3	37%	0.365	29%	0.285	S	S	.	.	H	α-helix	trans	-70.1	-37.9	174.2	-76.9	162.2	-176.8	153	0	113.1	S504 N505 R510 S511	S504-K508 VanDerWaalsContact O-CB 3.3Å; S504-K508 WeakPolarHBondContact O-CB 3.42Å; S504-K508 VanDerWaalsContact O-CD 3.26Å; S504-K508 WeakPolarHBondContact O-CD 3.42Å; S504-K508 WeakPolarHBondContact O-CG 3.47Å; S504-K508 PolarHBondContact O-N 3.14Å; S504-K508 VanDerWaalsContact OG-CE 3.3Å; S504-K508 WeakPolarHBondContact OG-CE 3.32Å; S504-K508 PolarHBondContact OG-NZ 3.21Å; N505-K508 WeakPolarHBondContact O-CB 3.46Å; N505-K508 PolarHBondContact O-N 2.99Å; K508-R510 VanDerWaalsContact C-N 3.28Å; K508-S511 WeakPolarHBondContact CA-OG 3.43Å; K508-S511 PolarHBondContact O-N 2.82Å; K508-S511 VanDerWaalsContact O-N 3.12Å; K508-S511 PolarHBondContact O-OG 3.15Å; K508-S511 VanDerWaalsContact O-OG 3.13Å
509	T	59.8	Low	68.1	Low	68 Å²	68	54.5 Å²	54.5	42%	0.417	28%	0.281	S	S	.	.	H	α-helix	trans	-67.8	-32.4	174.5	49.6	0	0	0	0	111.5	N505 L506 S511	N505-T509 PolarHBondContact O-N 3.11Å; N505-T509 PolarHBondContact O-OG1 3.34Å; L506-T509 WeakPolarHBondContact CA-OG1 3.33Å; L506-T509 PolarHBondContact O-OG1 3.19Å; T509-S511 VanDerWaalsContact C-N 3.26Å; T509-S511 PolarHBondContact O-N 3.04Å
510	R	57.4	Low	68.5	Low	49 Å²	49	53.7 Å²	53.7	19%	0.185	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	14.3	168.5	-73.2	-178.1	158	-126.1	-8	114.9	F475 G476 S481 L506 L507 K508 N513	F475-R510 VanDerWaalsContact O-CZ 3.27Å; F475-R510 PolarHBondContact O-NH1 2.87Å; F475-R510 PolarHBondContact O-NH2 2.95Å; G476-R510 PolarHBondContact O-NH1 2.89Å; G476-R510 VanDerWaalsContact O-NH1 3.17Å; S481-R510 PolarHBondContact OG-NE 3.33Å; S481-R510 PolarHBondContact OG-NH2 2.96Å; L506-R510 PolarHBondContact O-N 3.02Å; L507-R510 CarbonylContact O-C 3.55Å; L507-R510 PolarHBondContact O-N 2.74Å; K508-R510 VanDerWaalsContact C-N 3.28Å; R510-N513 VanDerWaalsContact O-CG 3.3Å; R510-N513 PolarHBondContact O-ND2 3.15Å; R510-N513 PolarHBondContact O-OD1 3.09Å; R510-N513 VanDerWaalsContact O-OD1 3.11Å
511	S	53.1	Low	69.1	Low	53 Å²	53	51.6 Å²	51.6	37%	0.371	27%	0.27	S	S	.	.			trans	-133.3	91.9	173.6	70.7	0	0	0	0	110.2	L507 K508 T509	L507-S511 PolarHBondContact O-N 2.86Å; L507-S511 PolarHBondContact O-OG 2.85Å; K508-S511 WeakPolarHBondContact CA-OG 3.43Å; K508-S511 PolarHBondContact O-N 2.82Å; K508-S511 VanDerWaalsContact O-N 3.12Å; K508-S511 PolarHBondContact O-OG 3.15Å; K508-S511 VanDerWaalsContact O-OG 3.13Å; T509-S511 VanDerWaalsContact C-N 3.26Å; T509-S511 PolarHBondContact O-N 3.04Å
512	P	56.1	Low	69.6	Low	73 Å²	73	48.8 Å²	48.8	47%	0.474	26%	0.256	S	S	.	.				-136	93	79.4	35.5	-20.5	0	0	0	112.3	F515	P512-F515 WeakPolarHBondContact O-CE2 3.34Å; P512-F515 WeakPolarHBondContact O-CZ 3.35Å
513	N	63.5	Low	70	Confident	26 Å²	26	49 Å²	49	14%	0.139	25%	0.253	C	S	.	.			trans	-77.3	-22.9	177.4	-66.7	-5.9	0	0	0	113	N472 I473 R510 F515	N472-N513 CarbonylContact C-O 3.57Å; N472-N513 WeakPolarHBondContact CA-O 3.49Å; N472-N513 VanDerWaalsContact OD1-C 3.3Å; N472-N513 VanDerWaalsContact OD1-CB 3.24Å; N472-N513 WeakPolarHBondContact OD1-CB 3.34Å; N472-N513 PolarHBondContact OD1-O 3.18Å; I473-N513 PolarHBondContact N-O 2.95Å; I473-N513 VanDerWaalsContact O-CB 3.25Å; I473-N513 WeakPolarHBondContact O-CB 3.5Å; I473-N513 PolarHBondContact O-ND2 2.89Å; R510-N513 VanDerWaalsContact O-CG 3.3Å; R510-N513 PolarHBondContact O-ND2 3.15Å; R510-N513 PolarHBondContact O-OD1 3.09Å; R510-N513 VanDerWaalsContact O-OD1 3.11Å; N513-F515 WeakPolarHBondContact O-CD2 3.33Å; N513-F515 WeakPolarHBondContact O-CE2 3.41Å
514	E	68	Low	70.8	Confident	112 Å²	112	49.6 Å²	49.6	52%	0.523	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123.9	178	-173.1	-177.6	-175	0	0	111.8	H470 V471	H470-E514 IonicContact CE1-OE1 2.75Å; H470-E514 IonicContact CG-OE1 3.28Å; H470-E514 IonicContact ND1-OE1 2.97Å; H470-E514 PolarHBondContact ND1-OE1 2.89Å; V471-E514 CarbonylContact O-C 3.57Å; V471-E514 WeakPolarHBondContact O-CA 3.48Å
515	F	70.8	Confident	71.7	Confident	35 Å²	35	53.1 Å²	53.1	15%	0.154	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.1	173.8	-58.9	-92.6	0	0	0	109.7	H470 V471 I473 P512 N513 L674 S677 M681	H470-F515 CarbonylContact C-O 3.55Å; H470-F515 WeakPolarHBondContact CA-O 3.47Å; V471-F515 HydrophobicContact CB-CB 4.4Å; V471-F515 PolarHBondContact N-O 3.32Å; V471-F515 PolarHBondContact O-N 3.48Å; I473-F515 HydrophobicContact CD1-CD2 4.28Å; I473-F515 HydrophobicContact CD1-CE2 3.84Å; I473-F515 HydrophobicContact CG1-CE2 4.35Å; P512-F515 WeakPolarHBondContact O-CE2 3.34Å; P512-F515 WeakPolarHBondContact O-CZ 3.35Å; N513-F515 WeakPolarHBondContact O-CD2 3.33Å; N513-F515 WeakPolarHBondContact O-CE2 3.41Å; F515-L674 HydrophobicContact CB-CD2 3.7Å; F515-L674 HydrophobicContact CB-CG 4.47Å; F515-L674 HydrophobicContact CD1-CD2 4.07Å; F515-L674 HydrophobicContact CD2-CD2 3.53Å; F515-L674 HydrophobicContact CE2-CD2 4.19Å; F515-L674 HydrophobicContact CG-CD2 3.48Å; F515-L674 VanDerWaalsContact CG-CD2 3.48Å; F515-L674 HydrophobicContact CG-CG 4.47Å; F515-S677 VanDerWaalsContact CE1-CB 3.45Å; F515-M681 HydrophobicContact CE2-CE 4.11Å; F515-M681 HydrophobicContact CZ-CE 3.93Å
516	I	78	Confident	72.5	Confident	75 Å²	75	50.9 Å²	50.9	39%	0.385	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	103.2	178.4	-54.7	178.1	0	0	0	109.2	K468	K468-I516 HydrophobicContact CB-CG2 4.19Å; K468-I516 HydrophobicContact CD-CG2 4.45Å; K468-I516 HydrophobicContact CG-CG2 4.2Å
517	C	78.8	Confident	73.5	Confident	10 Å²	10	48.6 Å²	48.6	7%	0.068	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	123.2	174.2	-56.4	0	0	0	0	109.3	L469 L519 C670	L469-C517 HydrophobicContact CB-CB 4.25Å; L469-C517 PolarHBondContact N-O 3.09Å; L469-C517 PolarHBondContact O-N 3.17Å; C517-L519 HydrophobicContact CB-CD2 4.29Å; C517-C670 HydrophobicContact CB-CB 3.98Å
518	N	81.8	Confident	74.7	Confident	85 Å²	85	51.1 Å²	51.1	46%	0.455	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	105.7	176.3	-65.4	-87.3	0	0	0	108.5
519	L	83.2	Confident	75.9	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.6	-176.8	-54	-179	0	0	0	109.9	N466 I467 L469 C517 F521 F530 L667	N466-L519 CarbonylContact C-O 3.41Å; N466-L519 VanDerWaalsContact CA-O 3.29Å; N466-L519 WeakPolarHBondContact CA-O 3.26Å; I467-L519 PolarHBondContact N-O 3.39Å; I467-L519 PolarHBondContact O-N 3.24Å; L469-L519 HydrophobicContact CB-CD1 4.02Å; L469-L519 HydrophobicContact CB-CG 4.49Å; L469-L519 HydrophobicContact CD2-CD1 4.29Å; C517-L519 HydrophobicContact CB-CD2 4.29Å; L519-F521 HydrophobicContact CB-CE2 3.73Å; L519-F521 HydrophobicContact CB-CZ 4.09Å; L519-F521 HydrophobicContact CD1-CZ 4.38Å; L519-F530 HydrophobicContact CD1-CD2 4.22Å; L519-F530 HydrophobicContact CD1-CE1 4.4Å; L519-F530 HydrophobicContact CD1-CE2 3.42Å; L519-F530 VanDerWaalsContact CD1-CE2 3.42Å; L519-F530 HydrophobicContact CD1-CZ 3.54Å; L519-L667 HydrophobicContact CD1-CD1 4.06Å; L519-L667 HydrophobicContact CD2-CD1 3.84Å
520	Q	81.9	Confident	77.2	Confident	72 Å²	72	49 Å²	49	34%	0.336	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.5	179.5	-179	172.7	-3.6	0	0	110.7	Y464 N466 S663	Y464-Q520 HydrophobicContact CD2-CG 4.04Å; Y464-Q520 VanDerWaalsContact CD2-NE2 3.33Å; N466-Q520 WeakPolarHBondContact OD1-CG 3.32Å; Q520-S663 PolarHBondContact O-OG 2.73Å
521	F	82.4	Confident	78.8	Confident	15 Å²	15	47.6 Å²	47.6	7%	0.066	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133	178.6	-56.5	-90.3	0	0	0	110	Y464 C465 I467 L519 Q526 L527 F530 L720	Y464-F521 WeakPolarHBondContact CA-O 3.41Å; C465-F521 PolarHBondContact N-O 2.82Å; C465-F521 PolarHBondContact O-N 2.93Å; I467-F521 HydrophobicContact CB-CE2 4.29Å; I467-F521 HydrophobicContact CD1-CD2 4.39Å; I467-F521 HydrophobicContact CD1-CE2 4.24Å; L519-F521 HydrophobicContact CB-CE2 3.73Å; L519-F521 HydrophobicContact CB-CZ 4.09Å; L519-F521 HydrophobicContact CD1-CZ 4.38Å; F521-Q526 HydrophobicContact CD1-CB 4.04Å; F521-Q526 WeakPolarHBondContact CE1-O 3.15Å; F521-L527 HydrophobicContact CB-CB 4.22Å; F521-L527 HydrophobicContact CD1-CB 4.24Å; F521-L527 HydrophobicContact CD2-CD1 4.03Å; F521-L527 HydrophobicContact CE2-CD1 4.25Å; F521-L527 HydrophobicContact CG-CB 4.16Å; F521-L527 HydrophobicContact CG-CD1 4.29Å; F521-F530 HydrophobicContact CE1-CB 3.73Å; F521-F530 HydrophobicContact CE1-CD1 4.35Å; F521-F530 AromaticContact CE1-CG 3.99Å; F521-F530 HydrophobicContact CE1-CG 3.99Å; F521-F530 HydrophobicContact CE2-CD1 4.17Å; F521-F530 HydrophobicContact CE2-CE1 4.48Å; F521-F530 HydrophobicContact CZ-CB 3.8Å; F521-F530 AromaticContact CZ-CD1 3.59Å; F521-F530 HydrophobicContact CZ-CD1 3.59Å; F521-F530 HydrophobicContact CZ-CD2 4.03Å; F521-F530 HydrophobicContact CZ-CE1 4.17Å; F521-F530 AromaticContact CZ-CG 3.51Å; F521-F530 HydrophobicContact CZ-CG 3.51Å; F521-L720 HydrophobicContact CB-CD1 3.94Å
522	T	80.2	Confident	80.4	Confident	28 Å²	28	47.6 Å²	47.6	17%	0.172	25%	0.247	C	C	.	.	S	Bend	trans	-106.1	-22.1	176.3	51.2	0	0	0	0	112.6	N723	T522-N723 PolarHBondContact O-ND2 2.93Å
523	R	80.5	Confident	81.9	Confident	83 Å²	83	48 Å²	48	31%	0.313	25%	0.245	S	C	.	.	S	Bend	trans	-121.4	142.8	-178	-54.8	-176.1	-64.7	-177.2	-2.4	111.6	N525 Q526 D660 L720	R523-N525 WeakPolarHBondContact CB-OD1 3.24Å; R523-N525 PolarHBondContact O-N 3.41Å; R523-Q526 VanDerWaalsContact NE-OE1 3.09Å; R523-Q526 VanDerWaalsContact NH2-CD 3.33Å; R523-D660 IonicContact CZ-OD1 3.27Å; R523-D660 IonicContact CZ-OD2 3.1Å; R523-D660 IonicContact NE-OD1 3.41Å; R523-D660 IonicContact NH1-OD1 3.33Å; R523-D660 PolarHBondContact NH1-OD1 2.82Å; R523-D660 IonicContact NH1-OD2 2.86Å; R523-D660 PolarHBondContact NH1-OD2 3.5Å; R523-D660 IonicContact NH2-OD1 2.71Å; R523-D660 PolarHBondContact NH2-OD1 2.76Å; R523-D660 IonicContact NH2-OD2 3.31Å; R523-D660 PolarHBondContact NH2-OD2 2.92Å; R523-L720 WeakPolarHBondContact O-CD1 3.31Å
524	L	85.9	Confident	83	Confident	25 Å²	25	49.2 Å²	49.2	13%	0.131	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-39.2	-173.9	-175.6	68.5	0	0	0	112.5	L527 E528 R717 L720 M721 L724	L524-L527 WeakPolarHBondContact O-CB 3.24Å; L524-L527 PolarHBondContact O-N 3.43Å; L524-E528 HydrophobicContact CD1-CG 4.46Å; L524-E528 HydrophobicContact CG-CG 4.41Å; L524-E528 WeakPolarHBondContact O-CG 3.32Å; L524-E528 PolarHBondContact O-N 3.3Å; L524-R717 HydrophobicContact CD1-CG 3.74Å; L524-L720 HydrophobicContact CB-CB 4.21Å; L524-L720 HydrophobicContact CD1-CB 3.99Å; L524-M721 HydrophobicContact CD1-CG 4.14Å; L524-M721 HydrophobicContact CD2-CG 3.79Å; L524-L724 HydrophobicContact CD2-CD1 3.6Å
525	N	84	Confident	83.9	Confident	80 Å²	80	49.9 Å²	49.9	43%	0.428	25%	0.251	S	S	.	.	H	α-helix	trans	-58.7	-53.9	178.2	60.1	-28.2	0	0	0	111.7	R523 L527 E528 D529	R523-N525 WeakPolarHBondContact CB-OD1 3.24Å; R523-N525 PolarHBondContact O-N 3.41Å; N525-L527 PolarHBondContact O-N 3.21Å; N525-E528 CarbonylContact O-C 3.54Å; N525-E528 PolarHBondContact O-N 2.86Å; N525-D529 VanDerWaalsContact C-OD2 3.25Å; N525-D529 WeakPolarHBondContact O-CB 3.34Å; N525-D529 PolarHBondContact O-N 2.9Å
526	Q	83.9	Confident	84.6	Confident	33 Å²	33	52.1 Å²	52.1	15%	0.154	27%	0.271	C	S	.	.	H	α-helix	trans	-54.4	-31.8	179	-68.1	173.4	-57.3	0	0	113.3	F521 R523 F530	F521-Q526 HydrophobicContact CD1-CB 4.04Å; F521-Q526 WeakPolarHBondContact CE1-O 3.15Å; R523-Q526 VanDerWaalsContact NE-OE1 3.09Å; R523-Q526 VanDerWaalsContact NH2-CD 3.33Å; Q526-F530 VanDerWaalsContact O-CB 3.25Å; Q526-F530 WeakPolarHBondContact O-CB 3.4Å; Q526-F530 PolarHBondContact O-N 3.22Å; Q526-F530 VanDerWaalsContact O-N 3.15Å
527	L	87.9	Confident	84.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-75.1	-41.7	175.5	172.2	63.5	0	0	0	112.5	I467 F521 L524 N525 W531 Y713 R717 L720	I467-L527 HydrophobicContact CD1-CD1 3.29Å; F521-L527 HydrophobicContact CB-CB 4.22Å; F521-L527 HydrophobicContact CD1-CB 4.24Å; F521-L527 HydrophobicContact CD2-CD1 4.03Å; F521-L527 HydrophobicContact CE2-CD1 4.25Å; F521-L527 HydrophobicContact CG-CB 4.16Å; F521-L527 HydrophobicContact CG-CD1 4.29Å; L524-L527 WeakPolarHBondContact O-CB 3.24Å; L524-L527 PolarHBondContact O-N 3.43Å; N525-L527 PolarHBondContact O-N 3.21Å; L527-W531 VanDerWaalsContact O-CB 3.31Å; L527-W531 WeakPolarHBondContact O-CB 3.29Å; L527-W531 PolarHBondContact O-N 3.37Å; L527-W531 VanDerWaalsContact O-N 3.09Å; L527-Y713 HydrophobicContact CD1-CD2 3.76Å; L527-Y713 HydrophobicContact CD1-CE2 4.03Å; L527-Y713 HydrophobicContact CD2-CE2 4.49Å; L527-Y713 HydrophobicContact CG-CD2 4.1Å; L527-Y713 HydrophobicContact CG-CE2 3.9Å; L527-R717 HydrophobicContact CD2-CB 4Å; L527-L720 HydrophobicContact CB-CD1 4.06Å; L527-L720 HydrophobicContact CD2-CD1 3.85Å
528	E	88.8	Confident	85.1	Confident	63 Å²	63	50.9 Å²	50.9	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-71.7	-37.1	177.9	-67.7	-174.4	136.7	0	0	111.5	L524 N525 W531 A532 R717	L524-E528 HydrophobicContact CD1-CG 4.46Å; L524-E528 HydrophobicContact CG-CG 4.41Å; L524-E528 WeakPolarHBondContact O-CG 3.32Å; L524-E528 PolarHBondContact O-N 3.3Å; N525-E528 CarbonylContact O-C 3.54Å; N525-E528 PolarHBondContact O-N 2.86Å; E528-W531 PolarHBondContact O-N 3.25Å; E528-A532 PolarHBondContact O-N 2.86Å; E528-R717 IonicContact OE1-CZ 2.71Å; E528-R717 IonicContact OE1-NE 3.72Å; E528-R717 PolarHBondContact OE1-NE 3.49Å; E528-R717 IonicContact OE1-NH2 2.94Å; E528-R717 PolarHBondContact OE1-NH2 3.39Å
529	D	87.3	Confident	85.3	Confident	91 Å²	91	47.2 Å²	47.2	49%	0.487	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-53.6	172.7	-60.6	-35.9	0	0	0	110.9	N525 W531 A532 D533	N525-D529 VanDerWaalsContact C-OD2 3.25Å; N525-D529 WeakPolarHBondContact O-CB 3.34Å; N525-D529 PolarHBondContact O-N 2.9Å; D529-W531 PolarHBondContact O-N 3.08Å; D529-A532 WeakPolarHBondContact O-CB 3.19Å; D529-A532 PolarHBondContact O-N 2.93Å; D529-D533 PolarHBondContact O-N 2.71Å
530	F	88.5	Confident	85.3	Confident	17 Å²	17	50.8 Å²	50.8	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-55.5	-38.6	174.8	164.6	-98.8	0	0	0	112.5	I467 L519 F521 Q526 D533 Y534 L539 V708	I467-F530 HydrophobicContact CG2-CE1 4.4Å; L519-F530 HydrophobicContact CD1-CD2 4.22Å; L519-F530 HydrophobicContact CD1-CE1 4.4Å; L519-F530 HydrophobicContact CD1-CE2 3.42Å; L519-F530 VanDerWaalsContact CD1-CE2 3.42Å; L519-F530 HydrophobicContact CD1-CZ 3.54Å; F521-F530 HydrophobicContact CE1-CB 3.73Å; F521-F530 HydrophobicContact CE1-CD1 4.35Å; F521-F530 AromaticContact CE1-CG 3.99Å; F521-F530 HydrophobicContact CE1-CG 3.99Å; F521-F530 HydrophobicContact CE2-CD1 4.17Å; F521-F530 HydrophobicContact CE2-CE1 4.48Å; F521-F530 HydrophobicContact CZ-CB 3.8Å; F521-F530 AromaticContact CZ-CD1 3.59Å; F521-F530 HydrophobicContact CZ-CD1 3.59Å; F521-F530 HydrophobicContact CZ-CD2 4.03Å; F521-F530 HydrophobicContact CZ-CE1 4.17Å; F521-F530 AromaticContact CZ-CG 3.51Å; F521-F530 HydrophobicContact CZ-CG 3.51Å; Q526-F530 VanDerWaalsContact O-CB 3.25Å; Q526-F530 WeakPolarHBondContact O-CB 3.4Å; Q526-F530 PolarHBondContact O-N 3.22Å; Q526-F530 VanDerWaalsContact O-N 3.15Å; F530-D533 PolarHBondContact O-N 2.89Å; F530-Y534 WeakPolarHBondContact O-CB 3.45Å; F530-Y534 PolarHBondContact O-N 2.89Å; F530-L539 HydrophobicContact CD2-CD2 4.33Å; F530-L539 HydrophobicContact CE2-CD2 3.64Å; F530-L539 HydrophobicContact CZ-CD2 4.27Å; F530-V708 HydrophobicContact CE1-CG2 4.37Å; F530-V708 HydrophobicContact CZ-CG2 4.06Å
531	W	89.7	Confident	85.3	Confident	19 Å²	19	55.4 Å²	55.4	7%	0.072	28%	0.284	C	S	.	.	H	α-helix	trans	-73	-33.4	178.8	-175.9	-101.5	0	0	0	112.3	L527 E528 D529 Y534 Q535 V708 R710 Y713	L527-W531 VanDerWaalsContact O-CB 3.31Å; L527-W531 WeakPolarHBondContact O-CB 3.29Å; L527-W531 PolarHBondContact O-N 3.37Å; L527-W531 VanDerWaalsContact O-N 3.09Å; E528-W531 PolarHBondContact O-N 3.25Å; D529-W531 PolarHBondContact O-N 3.08Å; W531-Y534 HydrophobicContact CD2-CD1 4.42Å; W531-Y534 AromaticContact CE3-CD1 3.79Å; W531-Y534 HydrophobicContact CE3-CD1 3.79Å; W531-Y534 HydrophobicContact CE3-CE1 4.35Å; W531-Y534 HydrophobicContact CH2-CD1 4.19Å; W531-Y534 HydrophobicContact CH2-CE1 4.02Å; W531-Y534 AromaticContact CZ3-CD1 3.65Å; W531-Y534 HydrophobicContact CZ3-CD1 3.65Å; W531-Y534 AromaticContact CZ3-CE1 3.74Å; W531-Y534 HydrophobicContact CZ3-CE1 3.74Å; W531-Y534 PolarHBondContact O-N 3.5Å; W531-Q535 HydrophobicContact CD2-CG 4.41Å; W531-Q535 HydrophobicContact CZ2-CG 4.33Å; W531-Q535 WeakPolarHBondContact O-CB 3.43Å; W531-Q535 WeakPolarHBondContact O-CG 3.4Å; W531-Q535 PolarHBondContact O-N 3.2Å; W531-V708 HydrophobicContact CE3-CG1 4.38Å; W531-V708 HydrophobicContact CZ3-CB 4.13Å; W531-V708 HydrophobicContact CZ3-CG1 3.85Å; W531-R710 HydrophobicContact CH2-CB 3.89Å; W531-R710 HydrophobicContact CH2-CG 4.07Å; W531-R710 HydrophobicContact CZ2-CB 4.37Å; W531-R710 HydrophobicContact CZ2-CG 4.06Å; W531-Y713 HydrophobicContact CB-CD2 3.73Å; W531-Y713 HydrophobicContact CB-CE2 3.26Å; W531-Y713 AromaticContact CD1-CE1 3.66Å; W531-Y713 AromaticContact CD1-CE2 3.78Å; W531-Y713 AromaticContact CD1-CZ 3.37Å; W531-Y713 AromaticContact CD2-CD1 3.71Å; W531-Y713 HydrophobicContact CD2-CD1 3.71Å; W531-Y713 AromaticContact CD2-CD2 3.53Å; W531-Y713 HydrophobicContact CD2-CD2 3.53Å; W531-Y713 AromaticContact CD2-CE1 3.9Å; W531-Y713 HydrophobicContact CD2-CE1 3.9Å; W531-Y713 AromaticContact CD2-CE2 3.74Å; W531-Y713 HydrophobicContact CD2-CE2 3.74Å; W531-Y713 AromaticContact CD2-CG 3.52Å; W531-Y713 HydrophobicContact CD2-CG 3.52Å; W531-Y713 AromaticContact CD2-CZ 3.91Å; W531-Y713 AromaticContact CE2-CD1 3.6Å; W531-Y713 AromaticContact CE2-CE1 3.74Å; W531-Y713 AromaticContact CE2-CG 3.9Å; W531-Y713 HydrophobicContact CE3-CD1 4.12Å; W531-Y713 AromaticContact CE3-CD2 3.63Å; W531-Y713 HydrophobicContact CE3-CD2 3.63Å; W531-Y713 HydrophobicContact CE3-CE2 4.3Å; W531-Y713 AromaticContact CE3-CG 3.54Å; W531-Y713 HydrophobicContact CE3-CG 3.54Å; W531-Y713 HydrophobicContact CG-CD1 4.14Å; W531-Y713 AromaticContact CG-CD2 3.59Å; W531-Y713 HydrophobicContact CG-CD2 3.59Å; W531-Y713 AromaticContact CG-CE1 3.85Å; W531-Y713 HydrophobicContact CG-CE1 3.85Å; W531-Y713 AromaticContact CG-CE2 3.28Å; W531-Y713 HydrophobicContact CG-CE2 3.28Å; W531-Y713 HydrophobicContact CG-CG 4.02Å; W531-Y713 AromaticContact CG-CZ 3.4Å; W531-Y713 HydrophobicContact CH2-CD1 4.34Å; W531-Y713 HydrophobicContact CH2-CG 4.3Å; W531-Y713 AromaticContact CZ2-CD1 3.94Å; W531-Y713 HydrophobicContact CZ2-CD1 3.94Å; W531-Y713 HydrophobicContact CZ2-CE1 4.42Å; W531-Y713 HydrophobicContact CZ2-CG 4.28Å; W531-Y713 HydrophobicContact CZ3-CD1 4.42Å; W531-Y713 HydrophobicContact CZ3-CD2 4.45Å; W531-Y713 AromaticContact CZ3-CG 3.94Å; W531-Y713 HydrophobicContact CZ3-CG 3.94Å; W531-Y713 AromaticContact NE1-CD1 3.94Å; W531-Y713 AromaticContact NE1-CE1 3.56Å; W531-Y713 AromaticContact NE1-CZ 3.81Å
532	A	86.7	Confident	85.2	Confident	53 Å²	53	60.9 Å²	60.9	44%	0.438	31%	0.305	S	S	.	.	H	α-helix	trans	-65.4	-41.3	170.3	0	0	0	0	0	111.8	E528 D529 Q535 S536	E528-A532 PolarHBondContact O-N 2.86Å; D529-A532 WeakPolarHBondContact O-CB 3.19Å; D529-A532 PolarHBondContact O-N 2.93Å; A532-Q535 PolarHBondContact O-N 2.73Å; A532-S536 VanDerWaalsContact O-CB 3.23Å; A532-S536 WeakPolarHBondContact O-CB 3.47Å; A532-S536 PolarHBondContact O-N 3.39Å; A532-S536 PolarHBondContact O-OG 2.97Å
533	D	87.2	Confident	85.4	Confident	81 Å²	81	60 Å²	60	43%	0.433	30%	0.299	S	S	.	.	H	α-helix	trans	-66	-35.7	174.5	-79.3	-19	0	0	0	112.8	D529 F530 S536 G537 A538 L539	D529-D533 PolarHBondContact O-N 2.71Å; F530-D533 PolarHBondContact O-N 2.89Å; D533-S536 WeakPolarHBondContact CA-OG 3.21Å; D533-S536 PolarHBondContact O-OG 3.12Å; D533-G537 CarbonylContact O-C 3.58Å; D533-G537 PolarHBondContact O-N 3.49Å; D533-A538 HydrophobicContact CB-CB 4.38Å; D533-A538 PolarHBondContact O-N 3.43Å; D533-L539 HydrophobicContact CB-CB 4.23Å; D533-L539 WeakPolarHBondContact O-CB 3.29Å; D533-L539 PolarHBondContact O-N 2.91Å
534	Y	87.4	Confident	85.3	Confident	51 Å²	51	57 Å²	57	20%	0.2	29%	0.289	C	S	.	.	H	α-helix	trans	-68.9	-45.3	172.5	174.2	-107.2	0	0	0	112	F530 W531 G537 L539 L706 V708	F530-Y534 WeakPolarHBondContact O-CB 3.45Å; F530-Y534 PolarHBondContact O-N 2.89Å; W531-Y534 HydrophobicContact CD2-CD1 4.42Å; W531-Y534 AromaticContact CE3-CD1 3.79Å; W531-Y534 HydrophobicContact CE3-CD1 3.79Å; W531-Y534 HydrophobicContact CE3-CE1 4.35Å; W531-Y534 HydrophobicContact CH2-CD1 4.19Å; W531-Y534 HydrophobicContact CH2-CE1 4.02Å; W531-Y534 AromaticContact CZ3-CD1 3.65Å; W531-Y534 HydrophobicContact CZ3-CD1 3.65Å; W531-Y534 AromaticContact CZ3-CE1 3.74Å; W531-Y534 HydrophobicContact CZ3-CE1 3.74Å; W531-Y534 PolarHBondContact O-N 3.5Å; Y534-G537 PolarHBondContact O-N 2.97Å; Y534-L539 HydrophobicContact CD2-CD2 4.4Å; Y534-L706 HydrophobicContact CD2-CB 4.45Å; Y534-L706 HydrophobicContact CE2-CB 4.03Å; Y534-V708 HydrophobicContact CD1-CB 4.28Å; Y534-V708 HydrophobicContact CD1-CG2 4.4Å; Y534-V708 HydrophobicContact CD2-CB 4.42Å; Y534-V708 HydrophobicContact CD2-CG2 3.79Å; Y534-V708 HydrophobicContact CE1-CB 3.88Å; Y534-V708 HydrophobicContact CE1-CG2 4.3Å; Y534-V708 HydrophobicContact CE2-CB 4.03Å; Y534-V708 HydrophobicContact CE2-CG2 3.67Å; Y534-V708 HydrophobicContact CG-CG2 4.16Å; Y534-V708 PolarHBondContact OH-N 3.41Å
535	Q	87.3	Confident	84.9	Confident	127 Å²	127	59 Å²	59	59%	0.593	31%	0.305	S	S	*	.	H	α-helix	trans	-72.4	-33.9	-178.7	-75.9	-163.9	-31.2	0	0	114.1	W531 A532 G537	W531-Q535 HydrophobicContact CD2-CG 4.41Å; W531-Q535 HydrophobicContact CZ2-CG 4.33Å; W531-Q535 WeakPolarHBondContact O-CB 3.43Å; W531-Q535 WeakPolarHBondContact O-CG 3.4Å; W531-Q535 PolarHBondContact O-N 3.2Å; A532-Q535 PolarHBondContact O-N 2.73Å; Q535-G537 VanDerWaalsContact C-N 3.28Å
536	S	85.9	Confident	84.4	Confident	81 Å²	81	56.9 Å²	56.9	57%	0.566	29%	0.293	S	S	*	.	H	α-helix	trans	-75.7	-17.4	174.4	61.4	0	0	0	0	113.1	A532 D533 A538	A532-S536 VanDerWaalsContact O-CB 3.23Å; A532-S536 WeakPolarHBondContact O-CB 3.47Å; A532-S536 PolarHBondContact O-N 3.39Å; A532-S536 PolarHBondContact O-OG 2.97Å; D533-S536 WeakPolarHBondContact CA-OG 3.21Å; D533-S536 PolarHBondContact O-OG 3.12Å; S536-A538 VanDerWaalsContact C-N 3.26Å; S536-A538 WeakPolarHBondContact OG-CB 3.47Å; S536-A538 PolarHBondContact OG-N 3.33Å
537	G	84.2	Confident	83.9	Confident	19 Å²	19	55.7 Å²	55.7	20%	0.196	29%	0.288	C	S	.	.	S	Bend	trans	79.4	1.2	-171	0	0	0	0	0	114.1	D533 Y534 Q535 L539 R540 Y541	D533-G537 CarbonylContact O-C 3.58Å; D533-G537 PolarHBondContact O-N 3.49Å; Y534-G537 PolarHBondContact O-N 2.97Å; Q535-G537 VanDerWaalsContact C-N 3.28Å; G537-L539 PolarHBondContact O-N 3.33Å; G537-R540 WeakPolarHBondContact O-CA 3.49Å; G537-R540 VanDerWaalsContact O-CB 3.26Å; G537-R540 WeakPolarHBondContact O-CB 3.38Å; G537-R540 PolarHBondContact O-N 2.93Å; G537-Y541 VanDerWaalsContact O-CD2 3.24Å; G537-Y541 WeakPolarHBondContact O-CD2 3.48Å; G537-Y541 PolarHBondContact O-N 3.29Å; G537-Y541 VanDerWaalsContact O-N 3.08Å
538	A	82.8	Confident	83.1	Confident	40 Å²	40	61.9 Å²	61.9	33%	0.331	31%	0.311	S	S	.	.	H	α-helix	trans	-54.4	-39.7	175.2	0	0	0	0	0	111.9	D533 S536 R540 Y541 Y542	D533-A538 HydrophobicContact CB-CB 4.38Å; D533-A538 PolarHBondContact O-N 3.43Å; S536-A538 VanDerWaalsContact C-N 3.26Å; S536-A538 WeakPolarHBondContact OG-CB 3.47Å; S536-A538 PolarHBondContact OG-N 3.33Å; A538-R540 VanDerWaalsContact C-N 3.32Å; A538-R540 PolarHBondContact O-N 3.05Å; A538-Y541 PolarHBondContact O-N 2.79Å; A538-Y542 WeakPolarHBondContact O-CB 3.47Å; A538-Y542 PolarHBondContact O-N 2.85Å
539	L	85.1	Confident	82	Confident	9 Å²	9	61.4 Å²	61.4	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-37.3	173.3	-176.3	63	0	0	0	112.7	L469 F530 D533 Y534 G537 L543 L706	L469-L539 HydrophobicContact CD1-CD2 4.41Å; L469-L539 HydrophobicContact CD2-CD2 4.24Å; F530-L539 HydrophobicContact CD2-CD2 4.33Å; F530-L539 HydrophobicContact CE2-CD2 3.64Å; F530-L539 HydrophobicContact CZ-CD2 4.27Å; D533-L539 HydrophobicContact CB-CB 4.23Å; D533-L539 WeakPolarHBondContact O-CB 3.29Å; D533-L539 PolarHBondContact O-N 2.91Å; Y534-L539 HydrophobicContact CD2-CD2 4.4Å; G537-L539 PolarHBondContact O-N 3.33Å; L539-L543 HydrophobicContact CD1-CD1 4.08Å; L539-L543 HydrophobicContact CD1-CG 4.2Å; L539-L543 HydrophobicContact CG-CD1 4.06Å; L539-L543 WeakPolarHBondContact O-CB 3.37Å; L539-L543 VanDerWaalsContact O-CG 3.29Å; L539-L543 WeakPolarHBondContact O-CG 3.48Å; L539-L543 PolarHBondContact O-N 3.06Å; L539-L706 HydrophobicContact CB-CD1 4.35Å; L539-L706 HydrophobicContact CD2-CD1 4.16Å; L539-L706 HydrophobicContact CG-CD1 3.95Å
540	R	84.5	Confident	80.3	Confident	80 Å²	80	63.2 Å²	63.2	30%	0.302	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-47.5	175.1	-166.1	-165.8	-168.8	-146	2.4	110.2	G537 A538 M544 E703 L704 L706	G537-R540 WeakPolarHBondContact O-CA 3.49Å; G537-R540 VanDerWaalsContact O-CB 3.26Å; G537-R540 WeakPolarHBondContact O-CB 3.38Å; G537-R540 PolarHBondContact O-N 2.93Å; A538-R540 VanDerWaalsContact C-N 3.32Å; A538-R540 PolarHBondContact O-N 3.05Å; R540-M544 WeakPolarHBondContact O-CB 3.4Å; R540-M544 PolarHBondContact O-N 3.01Å; R540-E703 IonicContact CZ-OE1 3.14Å; R540-E703 IonicContact NH2-OE1 2.71Å; R540-E703 PolarHBondContact NH2-OE1 2.67Å; R540-L704 HydrophobicContact CG-CB 4.48Å; R540-L704 HydrophobicContact CG-CD2 3.93Å; R540-L704 PolarHBondContact NE-O 2.95Å; R540-L704 PolarHBondContact NH2-O 2.87Å; R540-L706 HydrophobicContact CB-CD1 4.02Å
541	Y	82	Confident	78	Confident	169 Å²	169	72.4 Å²	72.4	66%	0.663	36%	0.355	S	S	*	.	H	α-helix	trans	-65	-39.6	178.6	-72.7	-72.4	0	0	0	112.6	G537 A538 S545	G537-Y541 VanDerWaalsContact O-CD2 3.24Å; G537-Y541 WeakPolarHBondContact O-CD2 3.48Å; G537-Y541 PolarHBondContact O-N 3.29Å; G537-Y541 VanDerWaalsContact O-N 3.08Å; A538-Y541 PolarHBondContact O-N 2.79Å; Y541-S545 WeakPolarHBondContact O-CB 3.49Å; Y541-S545 PolarHBondContact O-N 2.71Å; Y541-S545 PolarHBondContact O-OG 2.95Å
542	Y	80.3	Confident	75.6	Confident	130 Å²	130	75.7 Å²	75.7	51%	0.51	37%	0.374	S	S	.	.	H	α-helix	trans	-65.7	-51	176.9	-176.8	-110.9	0	0	0	112.1	A538 M544 S545 I546 I671	A538-Y542 WeakPolarHBondContact O-CB 3.47Å; A538-Y542 PolarHBondContact O-N 2.85Å; Y542-M544 VanDerWaalsContact C-N 3.32Å; Y542-M544 PolarHBondContact O-N 3.05Å; Y542-S545 PolarHBondContact O-N 3.27Å; Y542-S545 PolarHBondContact O-OG 3.27Å; Y542-I546 HydrophobicContact CD1-CD1 3.89Å; Y542-I546 HydrophobicContact CD2-CD1 4.4Å; Y542-I546 HydrophobicContact CE1-CD1 3.5Å; Y542-I546 HydrophobicContact CE2-CD1 4.05Å; Y542-I546 HydrophobicContact CG-CD1 4.33Å; Y542-I546 WeakPolarHBondContact O-CG1 3.22Å; Y542-I546 PolarHBondContact O-N 3.44Å; Y542-I546 VanDerWaalsContact O-N 3.1Å; Y542-I671 HydrophobicContact CE1-CD1 3.97Å
543	L	82.6	Confident	73	Confident	9 Å²	9	83.5 Å²	83.5	5%	0.047	39%	0.392	C	S	.	.	H	α-helix	trans	-62.1	-39.7	176.5	-69.8	174.5	0	0	0	112	L469 L539 I546 L547 I671 L704 L706	L469-L543 HydrophobicContact CD2-CD1 4.48Å; L539-L543 HydrophobicContact CD1-CD1 4.08Å; L539-L543 HydrophobicContact CD1-CG 4.2Å; L539-L543 HydrophobicContact CG-CD1 4.06Å; L539-L543 WeakPolarHBondContact O-CB 3.37Å; L539-L543 VanDerWaalsContact O-CG 3.29Å; L539-L543 WeakPolarHBondContact O-CG 3.48Å; L539-L543 PolarHBondContact O-N 3.06Å; L543-I546 PolarHBondContact O-N 3.27Å; L543-L547 WeakPolarHBondContact O-CG 3.39Å; L543-L547 PolarHBondContact O-N 3.33Å; L543-I671 HydrophobicContact CD2-CD1 3.78Å; L543-I671 HydrophobicContact CD2-CG1 3.59Å; L543-L704 HydrophobicContact CB-CD2 3.71Å; L543-L704 HydrophobicContact CD1-CD2 4.35Å; L543-L706 HydrophobicContact CD1-CD1 4.04Å; L543-L706 HydrophobicContact CD1-CD2 3.83Å
544	M	80.2	Confident	70.1	Confident	20 Å²	20	84.4 Å²	84.4	10%	0.099	40%	0.404	C	S	.	.	H	α-helix	trans	-69.5	-32.6	178.2	-165.1	177.9	-137	0	0	112.8	R540 Y542 R548 F702	R540-M544 WeakPolarHBondContact O-CB 3.4Å; R540-M544 PolarHBondContact O-N 3.01Å; Y542-M544 VanDerWaalsContact C-N 3.32Å; Y542-M544 PolarHBondContact O-N 3.05Å; M544-R548 VanDerWaalsContact O-CB 3.31Å; M544-R548 WeakPolarHBondContact O-CB 3.23Å; M544-R548 VanDerWaalsContact O-CG 3.24Å; M544-R548 WeakPolarHBondContact O-CG 3.4Å; M544-R548 PolarHBondContact O-N 3.46Å; M544-F702 HydrophobicContact CE-CD2 4.23Å; M544-F702 HydrophobicContact CE-CE2 4.08Å; M544-F702 WeakPolarHBondContact CE-O 3.45Å; M544-F702 HydrophobicContact CG-CE2 4.15Å; M544-F702 HydrophobicContact CG-CZ 4.26Å
545	S	76.5	Confident	67.3	Low	66 Å²	66	91.1 Å²	91.1	46%	0.462	44%	0.435	S	S	.	.	H	α-helix	trans	-70.7	-36.2	174.6	76.7	0	0	0	0	111.9	Y541 Y542 R548 S549	Y541-S545 WeakPolarHBondContact O-CB 3.49Å; Y541-S545 PolarHBondContact O-N 2.71Å; Y541-S545 PolarHBondContact O-OG 2.95Å; Y542-S545 PolarHBondContact O-N 3.27Å; Y542-S545 PolarHBondContact O-OG 3.27Å; S545-R548 PolarHBondContact O-N 3.31Å; S545-S549 VanDerWaalsContact O-CB 3.31Å; S545-S549 WeakPolarHBondContact O-CB 3.42Å; S545-S549 PolarHBondContact O-N 3.31Å
546	I	73.6	Confident	64.5	Low	37 Å²	37	93.9 Å²	93.9	19%	0.19	45%	0.445	C	S	.	.	H	α-helix	trans	-66.6	-46.9	174.9	-65.8	168.4	0	0	0	111.4	Y542 L543 R548 S549 I671	Y542-I546 HydrophobicContact CD1-CD1 3.89Å; Y542-I546 HydrophobicContact CD2-CD1 4.4Å; Y542-I546 HydrophobicContact CE1-CD1 3.5Å; Y542-I546 HydrophobicContact CE2-CD1 4.05Å; Y542-I546 HydrophobicContact CG-CD1 4.33Å; Y542-I546 WeakPolarHBondContact O-CG1 3.22Å; Y542-I546 PolarHBondContact O-N 3.44Å; Y542-I546 VanDerWaalsContact O-N 3.1Å; L543-I546 PolarHBondContact O-N 3.27Å; I546-R548 VanDerWaalsContact C-N 3.29Å; I546-R548 PolarHBondContact O-N 3.44Å; I546-S549 PolarHBondContact O-N 3.27Å; I546-S549 VanDerWaalsContact O-N 3.1Å; I546-I671 HydrophobicContact CD1-CD1 4.38Å; I546-I671 HydrophobicContact CD1-CG2 3.88Å; I546-I671 HydrophobicContact CG2-CG2 3.87Å
547	L	73.4	Confident	61.7	Low	8 Å²	8	93.7 Å²	93.7	4%	0.042	46%	0.456	C	S	.	.	H	α-helix	trans	-69	-25.6	178.7	-66.7	177.5	0	0	0	113.2	I473 L543 N675 F678 F702 L704	I473-L547 HydrophobicContact CD1-CD1 4.01Å; L543-L547 WeakPolarHBondContact O-CG 3.39Å; L543-L547 PolarHBondContact O-N 3.33Å; L547-N675 HydrophobicContact CD2-CB 4.23Å; L547-F678 HydrophobicContact CB-CD1 4.34Å; L547-F678 HydrophobicContact CB-CE1 4.31Å; L547-F678 HydrophobicContact CD2-CB 3.88Å; L547-F678 HydrophobicContact CD2-CD1 4.1Å; L547-F678 HydrophobicContact CD2-CG 3.99Å; L547-F678 VanDerWaalsContact O-CE1 3.29Å; L547-F678 WeakPolarHBondContact O-CE1 3.24Å; L547-F702 HydrophobicContact CB-CE2 4.32Å; L547-F702 HydrophobicContact CB-CZ 3.91Å; L547-F702 HydrophobicContact CD1-CE2 4.4Å; L547-L704 HydrophobicContact CD1-CD1 3.63Å
548	R	70.9	Confident	59.1	Low	130 Å²	130	101.9 Å²	101.9	49%	0.491	49%	0.489	S	S	.	.	H	α-helix	trans	-79.7	-22.4	169.8	-74.8	174	170.9	165.9	-3.4	113.2	M544 S545 I546 E550 F702	M544-R548 VanDerWaalsContact O-CB 3.31Å; M544-R548 WeakPolarHBondContact O-CB 3.23Å; M544-R548 VanDerWaalsContact O-CG 3.24Å; M544-R548 WeakPolarHBondContact O-CG 3.4Å; M544-R548 PolarHBondContact O-N 3.46Å; S545-R548 PolarHBondContact O-N 3.31Å; I546-R548 VanDerWaalsContact C-N 3.29Å; I546-R548 PolarHBondContact O-N 3.44Å; R548-E550 PolarHBondContact O-N 3.45Å; R548-F702 HydrophobicContact CG-CE1 3.94Å; R548-F702 HydrophobicContact CG-CZ 3.91Å
549	S	65.5	Low	56.4	Low	53 Å²	53	105.4 Å²	105.4	37%	0.371	51%	0.508	S	S	.	.			trans	-80	108.6	-179.9	-176.2	0	0	0	0	111.1	S545 I546 R551	S545-S549 VanDerWaalsContact O-CB 3.31Å; S545-S549 WeakPolarHBondContact O-CB 3.42Å; S545-S549 PolarHBondContact O-N 3.31Å; I546-S549 PolarHBondContact O-N 3.27Å; I546-S549 VanDerWaalsContact O-N 3.1Å; S549-R551 PolarHBondContact O-N 3.49Å
550	E	52.7	Low	53.8	Low	128 Å²	128	110.6 Å²	110.6	60%	0.598	54%	0.543	S	S	*	.			trans	-70.7	1.4	177.3	-51.9	-165.9	142.5	0	0	113.6	R548 R682	R548-E550 PolarHBondContact O-N 3.45Å; E550-R682 IonicContact OE1-CZ 2.86Å; E550-R682 IonicContact OE1-NH1 2.74Å; E550-R682 PolarHBondContact OE1-NH1 2.95Å; E550-R682 IonicContact OE1-NH2 3.03Å; E550-R682 PolarHBondContact OE1-NH2 3.15Å
551	R	40.4	Very low	51.1	Low	211 Å²	211	115.7 Å²	115.7	80%	0.796	57%	0.57	S	S	*	*			trans	-106.5	81.6	-179.4	-64	-168.1	-174.7	93.1	0.6	112.2	S549 R553	S549-R551 PolarHBondContact O-N 3.49Å; R551-R553 VanDerWaalsContact C-N 3.26Å; R551-R553 PolarHBondContact O-N 3.35Å
552	N	39.2	Very low	48.7	Very low	88 Å²	88	116.8 Å²	116.8	47%	0.471	58%	0.581	S	S	.	*			trans	-66.7	88.9	150.7	-72	-74.6	0	0	0	108.5	S554 N675 H679	N552-S554 PolarHBondContact O-N 2.78Å; N552-S554 VanDerWaalsContact O-N 3.11Å; N552-N675 PolarHBondContact ND2-ND2 2.93Å; N552-N675 PolarHBondContact OD1-ND2 3.44Å; N552-H679 PolarHBondContact ND2-CD2 3.2Å; N552-H679 PolarHBondContact ND2-NE2 2.87Å; N552-H679 VanDerWaalsContact ND2-NE2 3.15Å
553	R	30.3	Very low	46.2	Very low	217 Å²	217	118.3 Å²	118.3	82%	0.819	60%	0.596	S	S	*	*			trans	-66	107.5	161.8	-94	-171.2	176.2	-101.7	3.6	107	R551 F555	R551-R553 VanDerWaalsContact C-N 3.26Å; R551-R553 PolarHBondContact O-N 3.35Å; R553-F555 PolarHBondContact O-N 2.99Å; R553-F555 VanDerWaalsContact O-N 3.17Å
554	S	27.5	Very low	43.7	Very low	99 Å²	99	123.4 Å²	123.4	69%	0.692	63%	0.63	S	S	*	*			trans	-54.6	121.5	166.8	-177.6	0	0	0	0	108.4	N552 F556	N552-S554 PolarHBondContact O-N 2.78Å; N552-S554 VanDerWaalsContact O-N 3.11Å; S554-F556 VanDerWaalsContact C-N 3.31Å; S554-F556 PolarHBondContact OG-N 3.27Å; S554-F556 PolarHBondContact OG-O 3.25Å
555	F	29.2	Very low	41.4	Very low	193 Å²	193	127.5 Å²	127.5	85%	0.846	66%	0.661	S	S	*	*			trans	-90.4	1.9	174.5	-120.4	-87.5	0	0	0	112.8	R553	R553-F555 PolarHBondContact O-N 2.99Å; R553-F555 VanDerWaalsContact O-N 3.17Å
556	F	28.5	Very low	39.1	Very low	185 Å²	185	133.5 Å²	133.5	81%	0.811	68%	0.681	S	S	*	*	S	Bend	trans	-99.5	107.8	172.1	-78.4	-85.5	0	0	0	110.8	S554	S554-F556 VanDerWaalsContact C-N 3.31Å; S554-F556 PolarHBondContact OG-N 3.27Å; S554-F556 PolarHBondContact OG-O 3.25Å
557	G	27.2	Very low	37	Very low	76 Å²	76	137.9 Å²	137.9	78%	0.784	72%	0.715	S	S	*	*	S	Bend	trans	13	100.6	164.7	0	0	0	0	0	120.8
558	E	28.5	Very low	34.9	Very low	191 Å²	191	143.5 Å²	143.5	89%	0.893	76%	0.755	S	S	*	*				-151.8	149.3	111.9	-105	-156	137.6	0	0	111.3
559	P	26.7	Very low	32.9	Very low	114 Å²	114	142.7 Å²	142.7	74%	0.74	77%	0.769	S	S	*	*			trans	-88	169.5	-179.9	36.6	-34.7	0	0	0	113.1
560	P	30.5	Very low	31.4	Very low	119 Å²	119	146.4 Å²	146.4	77%	0.773	79%	0.79	S	S	*	*			trans	-100.6	153.5	-162.5	37.5	-34.7	0	0	0	115
561	Q	26.8	Very low	30.4	Very low	186 Å²	186	146.3 Å²	146.3	87%	0.869	80%	0.797	S	S	*	*			trans	-175.5	129.7	134.4	-105.9	169	25.9	0	0	112.4
562	Q	32	Very low	30	Very low	192 Å²	192	143.4 Å²	143.4	90%	0.897	79%	0.793	S	S	*	*				-178.7	130.5	115.6	-95.7	173.4	11	0	0	111
563	I	27.3	Very low	29.6	Very low	163 Å²	163	146.6 Å²	146.6	84%	0.836	81%	0.805	S	S	*	*			trans	-126.6	127.3	174.3	-67.8	170	0	0	0	103
564	P	30	Very low	29.6	Very low	115 Å²	115	143.9 Å²	143.9	75%	0.747	80%	0.801	S	S	*	*				-141.1	-174.8	76	37.5	-15.9	0	0	0	112.3
565	S	32.2	Very low	30	Very low	107 Å²	107	144.6 Å²	144.6	75%	0.748	80%	0.801	S	S	*	*			cis	-142.3	159.2	21	-58.8	0	0	0	0	113.6
566	Q	29.6	Very low	30.4	Very low	191 Å²	191	141.2 Å²	141.2	89%	0.893	80%	0.796	S	S	*	*			trans	-87.7	150.3	176.1	-59	175.5	11.4	0	0	111.2
567	S	29.5	Very low	30.9	Very low	130 Å²	130	137.7 Å²	137.7	91%	0.909	79%	0.792	S	S	*	*			trans	-147.6	94.9	168.8	-68.4	0	0	0	0	109.8
568	S	28.1	Very low	31.1	Very low	125 Å²	125	141.3 Å²	141.3	87%	0.874	79%	0.793	S	S	*	*			trans	-151.2	104.2	173.6	174	0	0	0	0	108
569	S	29.3	Very low	31.5	Very low	113 Å²	113	136 Å²	136	79%	0.79	78%	0.782	S	S	*	*			trans	-102.2	127.3	-166.5	53.8	0	0	0	0	113.6
570	V	33.5	Very low	31.8	Very low	132 Å²	132	138.6 Å²	138.6	80%	0.8	79%	0.789	S	S	*	*			trans	-145.8	116.3	154.3	179.8	0	0	0	0	107.6
571	V	31.6	Very low	32.1	Very low	125 Å²	125	135.8 Å²	135.8	76%	0.758	78%	0.781	S	S	*	*			trans	45	122.3	151.9	-172.4	0	0	0	0	116.7
572	E	31.6	Very low	32.4	Very low	151 Å²	151	137 Å²	137	71%	0.706	78%	0.778	S	S	*	*				-166	145.5	72.9	-164.8	151.6	-165.5	0	0	116
573	Q	30.8	Very low	32.5	Very low	154 Å²	154	133.7 Å²	133.7	72%	0.72	76%	0.762	S	S	*	*			trans	59.6	136.7	155.2	-76.1	170.7	37.6	0	0	124.7
574	H	31.9	Very low	32.8	Very low	160 Å²	160	131.2 Å²	131.2	74%	0.741	75%	0.751	S	S	*	*			trans	87.1	104.1	144.1	-109.7	-106.2	0	0	0	122.9
575	V	35	Very low	33	Very low	114 Å²	114	132.8 Å²	132.8	69%	0.691	75%	0.748	S	S	*	*				57.2	131.5	124.5	172.6	0	0	0	0	119.2
576	V	38.6	Very low	33	Very low	123 Å²	123	133.4 Å²	133.4	75%	0.745	75%	0.747	S	S	*	*			cis	-157.1	154.5	-6.5	120.9	0	0	0	0	107.3
577	P	38.8	Very low	33.3	Very low	110 Å²	110	128.4 Å²	128.4	71%	0.714	74%	0.739	S	S	*	*			trans	-88.9	163.4	-172.2	36.5	-37.8	0	0	0	114.4
578	D	31.6	Very low	33.5	Very low	153 Å²	153	129.4 Å²	129.4	82%	0.818	73%	0.734	S	S	*	*				-167.4	165.7	124.3	-135	-33.3	0	0	0	114.1
579	A	36.2	Very low	33.8	Very low	79 Å²	79	127.6 Å²	127.6	65%	0.653	73%	0.726	S	S	*	*			trans	55.9	148.7	145.8	0	0	0	0	0	122.1
580	L	33.5	Very low	34.2	Very low	169 Å²	169	128.2 Å²	128.2	89%	0.885	73%	0.725	S	S	*	*			cis	-172.7	151	-26.1	-124.7	160.1	0	0	0	108.8
581	G	35.4	Very low	34.4	Very low	59 Å²	59	128.9 Å²	128.9	61%	0.608	72%	0.724	S	S	*	*			trans	125.8	128.6	166.1	0	0	0	0	0	114.1
582	R	34.2	Very low	34.5	Very low	213 Å²	213	130.4 Å²	130.4	80%	0.804	73%	0.728	S	S	*	*				79.2	135.3	51.9	-71	-172.5	152.8	-136.2	6.2	112.1
583	Q	34	Very low	34.9	Very low	121 Å²	121	132 Å²	132	57%	0.565	74%	0.735	S	S	*	*			cis	-165	161	10.2	-119.2	173.7	-83.6	0	0	112.7
584	N	34.2	Very low	35.1	Very low	112 Å²	112	127.4 Å²	127.4	60%	0.599	73%	0.73	S	S	*	*			trans	65.8	164.7	142.2	-68.5	13.9	0	0	0	121.9
585	E	33.8	Very low	35.5	Very low	148 Å²	148	126.3 Å²	126.3	69%	0.692	73%	0.734	S	S	*	*			cis	-162.5	134.3	-35.8	-105.2	176.5	106.1	0	0	106.5
586	V	32	Very low	35.4	Very low	119 Å²	119	127.7 Å²	127.7	72%	0.721	74%	0.738	S	S	*	*				63.7	110.4	88.7	-176.9	0	0	0	0	117.1
587	A	36.1	Very low	35.2	Very low	87 Å²	87	128.2 Å²	128.2	72%	0.719	74%	0.74	S	S	*	*			trans	-169.9	121.1	147.8	0	0	0	0	0	108
588	N	33.2	Very low	34.9	Very low	151 Å²	151	127.1 Å²	127.1	81%	0.807	74%	0.741	S	S	*	*				70.3	142.6	69.8	-65.5	-20.2	0	0	0	113.5
589	A	35.2	Very low	35	Very low	86 Å²	86	126.2 Å²	126.2	71%	0.711	74%	0.741	S	S	*	*			cis	-168.4	177.8	-15.4	0	0	0	0	0	107
590	V	37	Very low	34.8	Very low	126 Å²	126	127.4 Å²	127.4	76%	0.764	74%	0.741	S	S	*	*			cis	-128.7	-134.4	4.2	-146.2	0	0	0	0	108.4
591	D	38.7	Very low	34.8	Very low	147 Å²	147	127.5 Å²	127.5	79%	0.786	74%	0.742	S	S	*	*			cis	-151.1	149.2	-0.5	-104.2	-47	0	0	0	107.5
592	N	33.4	Very low	34.4	Very low	157 Å²	157	132.9 Å²	132.9	84%	0.84	75%	0.753	S	S	*	*			trans	-166.1	137.7	173.4	-159.8	18.8	0	0	0	114.1
593	E	39.7	Very low	34.5	Very low	183 Å²	183	127.3 Å²	127.3	86%	0.855	75%	0.745	S	S	*	*			trans	-152	131.2	175.8	-83.5	-73.8	158.6	0	0	108.4
594	G	35.6	Very low	34.3	Very low	59 Å²	59	128.2 Å²	128.2	61%	0.608	75%	0.754	S	S	*	*			cis	-179.2	-168.4	-2.6	0	0	0	0	0	112.1
595	V	39.3	Very low	33.9	Very low	137 Å²	137	129.8 Å²	129.8	83%	0.83	76%	0.762	S	S	*	*			trans	77	74.3	166.4	-161.5	0	0	0	0	119.1
596	D	33.9	Very low	33.7	Very low	143 Å²	143	131.4 Å²	131.4	77%	0.765	77%	0.77	S	S	*	*				64.4	139.2	111.9	-85.1	-37.7	0	0	0	126.8
597	V	33.3	Very low	33.7	Very low	133 Å²	133	129.8 Å²	129.8	81%	0.806	76%	0.764	S	S	*	*			trans	66.9	132.1	140	168	0	0	0	0	119
598	A	33.6	Very low	33.6	Very low	87 Å²	87	136.2 Å²	136.2	72%	0.719	77%	0.769	S	S	*	*			cis	-171.1	178	-13.5	0	0	0	0	0	107.5
599	V	33	Very low	33.5	Very low	135 Å²	135	135.6 Å²	135.6	82%	0.818	77%	0.766	S	S	*	*			cis	-153.2	160.2	-0.2	97.4	0	0	0	0	108.1
600	P	32.8	Very low	33.5	Very low	103 Å²	103	137 Å²	137	67%	0.669	77%	0.771	S	S	*	*			trans	-108.5	172.4	-174.1	39.3	-30.6	0	0	0	114.8
601	L	31.5	Very low	33.5	Very low	171 Å²	171	134.9 Å²	134.9	90%	0.895	77%	0.766	S	S	*	*			trans	164.6	171.4	133.9	-87.2	160.3	0	0	0	113.7
602	M	27.6	Very low	33.3	Very low	172 Å²	172	135.4 Å²	135.4	85%	0.847	76%	0.764	S	S	*	*			trans	-119	-163.6	177.6	-41.9	-175.4	70.4	0	0	110.5
603	P	37.5	Very low	33.5	Very low	97 Å²	97	133 Å²	133	63%	0.63	75%	0.751	S	S	*	*			cis	-127.8	-163.1	-33.9	30.5	-8.9	0	0	0	112.6
604	N	28.4	Very low	33.3	Very low	139 Å²	139	130.8 Å²	130.8	74%	0.743	75%	0.745	S	S	*	*			trans	89.4	130.9	156.6	-64.9	-11.9	0	0	0	121.4
605	N	26.7	Very low	33.4	Very low	146 Å²	146	132.5 Å²	132.5	78%	0.781	75%	0.748	S	S	*	*			trans	12.4	132	148.9	-53.2	-10.4	0	0	0	120.5
606	E	30	Very low	33.3	Very low	181 Å²	181	132.3 Å²	132.3	85%	0.846	74%	0.742	S	S	*	*				-174	128.9	96.4	-100.8	-161.1	131.6	0	0	116.6
607	S	31.2	Very low	33.4	Very low	86 Å²	86	131 Å²	131	60%	0.601	74%	0.735	S	S	*	*			trans	78.4	147.6	138.7	86.3	0	0	0	0	123.2
608	R	34.1	Very low	33.5	Very low	221 Å²	221	131.1 Å²	131.1	83%	0.834	73%	0.73	S	S	*	*			trans	74.8	141.5	151.5	-72.1	166.5	171.2	147.9	-2.5	120.5
609	N	31.8	Very low	33.4	Very low	139 Å²	139	132.7 Å²	132.7	74%	0.743	74%	0.736	S	S	*	*			cis	-169.7	171.4	-25.9	-119.6	20.7	0	0	0	110.8
610	S	34.8	Very low	33.4	Very low	116 Å²	116	130.3 Å²	130.3	81%	0.811	74%	0.738	S	S	*	*			trans	72.5	143.6	171.9	-47.8	0	0	0	0	114.4
611	A	35.8	Very low	33.4	Very low	80 Å²	80	128.7 Å²	128.7	66%	0.661	74%	0.74	S	S	*	*			cis	-169.8	169.8	-3.5	0	0	0	0	0	107.2
612	E	36.1	Very low	33.6	Very low	158 Å²	158	126.5 Å²	126.5	74%	0.738	74%	0.739	S	S	*	*			cis	-172.9	164.6	-17	-97.6	173.9	100.3	0	0	104.9
613	N	36.1	Very low	33.7	Very low	106 Å²	106	123.6 Å²	123.6	57%	0.567	74%	0.736	S	S	*	*			cis	-162.4	143.8	-0.8	-115.5	-24.7	0	0	0	109.8
614	N	36.4	Very low	33.5	Very low	138 Å²	138	124 Å²	124	74%	0.738	74%	0.741	S	S	*	*			trans	59.7	151.2	143.5	-55	-25.7	0	0	0	120.5
615	S	38	Very low	33.7	Very low	94 Å²	94	128.5 Å²	128.5	66%	0.657	75%	0.748	S	S	*	*			cis	-166.1	151.3	4.2	20.4	0	0	0	0	112.3
616	N	36.4	Very low	33.9	Very low	133 Å²	133	127.4 Å²	127.4	71%	0.711	75%	0.749	S	S	*	*			trans	68.1	150.6	143	-67.3	41.4	0	0	0	120
617	D	37	Very low	34.2	Very low	117 Å²	117	125.1 Å²	125.1	63%	0.626	75%	0.746	S	S	*	*			cis	-156.2	149.4	-1.8	-109.7	-22.2	0	0	0	115.4
618	I	35	Very low	33.9	Very low	135 Å²	135	128.1 Å²	128.1	69%	0.692	76%	0.756	S	S	*	*			trans	54.6	100.4	139.2	-57.2	164.8	0	0	0	122
619	S	30.9	Very low	34.1	Very low	120 Å²	120	122.4 Å²	122.4	84%	0.839	75%	0.747	S	S	*	*				36.7	134.2	119	-50.2	0	0	0	0	125.3
620	G	34	Very low	33.9	Very low	84 Å²	84	125 Å²	125	87%	0.866	75%	0.752	S	S	*	*			trans	129.2	140.2	148.6	0	0	0	0	0	115.1
621	G	32.7	Very low	33.8	Very low	69 Å²	69	126.3 Å²	126.3	71%	0.711	76%	0.755	S	S	*	*			cis	166.9	148.7	-7.8	0	0	0	0	0	112.3
622	S	34.6	Very low	33.5	Very low	126 Å²	126	127.7 Å²	127.7	88%	0.881	76%	0.759	S	S	*	*			trans	64.8	119.7	174.2	-58.5	0	0	0	0	117.3
623	S	29.7	Very low	33.3	Very low	111 Å²	111	123.4 Å²	123.4	78%	0.776	76%	0.758	S	S	*	*				70.6	112	63.3	-166.1	0	0	0	0	113
624	S	34.5	Very low	33.2	Very low	106 Å²	106	126.8 Å²	126.8	74%	0.741	77%	0.768	S	S	*	*				178.3	153.8	72.5	48	0	0	0	0	115.1
625	R	31.7	Very low	32.8	Very low	232 Å²	232	126.3 Å²	126.3	88%	0.875	77%	0.765	S	S	*	*			trans	44.1	131.5	151.4	-99.6	178.4	174.2	162.5	-1.7	123.6
626	P	31.1	Very low	32.5	Very low	124 Å²	124	128.5 Å²	128.5	81%	0.805	78%	0.775	S	S	*	*			trans	-87.5	151.3	157.4	36.4	-32.8	0	0	0	112.7
627	V	35.1	Very low	32.3	Very low	132 Å²	132	127.6 Å²	127.6	80%	0.8	78%	0.779	S	S	*	*			trans	-143.2	130.9	173.5	-178.4	0	0	0	0	112.1
628	N	26.9	Very low	31.8	Very low	150 Å²	150	130.5 Å²	130.5	80%	0.802	79%	0.789	S	S	*	*			trans	-118.9	165.7	158.3	-114.4	-40.6	0	0	0	105.8
629	P	37.1	Very low	31.7	Very low	100 Å²	100	135.5 Å²	135.5	65%	0.649	80%	0.8	S	S	*	*			cis	-143	-166.3	14.5	43.7	-24.3	0	0	0	115.6
630	K	27.8	Very low	31.6	Very low	194 Å²	194	133.9 Å²	133.9	84%	0.843	79%	0.789	S	S	*	*			trans	60.6	132.5	152.1	-79.2	-178.9	173.7	178.8	0	120.8
631	V	32.4	Very low	31.4	Very low	144 Å²	144	136 Å²	136	87%	0.873	78%	0.781	S	S	*	*				-171.6	163.5	115.3	143.3	0	0	0	0	110.8
632	S	30.5	Very low	31.3	Very low	108 Å²	108	141.4 Å²	141.4	76%	0.755	79%	0.787	S	S	*	*			trans	-86.1	165.8	-164.9	52.2	0	0	0	0	117.9
633	G	32.1	Very low	30.9	Very low	68 Å²	68	142.4 Å²	142.4	70%	0.701	78%	0.782	S	S	*	*			trans	-170.9	80.2	166.9	0	0	0	0	0	119.4
634	F	32.8	Very low	31.3	Very low	178 Å²	178	141.9 Å²	141.9	78%	0.781	78%	0.776	S	S	*	*			trans	50.3	102.9	145.9	-64.1	-81.6	0	0	0	125
635	N	29.5	Very low	31.2	Very low	128 Å²	128	141.7 Å²	141.7	68%	0.684	78%	0.782	S	S	*	*				68.2	139.3	109.8	-64.5	14.7	0	0	0	126.4
636	T	30.5	Very low	30.9	Very low	140 Å²	140	141 Å²	141	86%	0.859	78%	0.781	S	S	*	*			trans	71.5	146.1	146.9	43.4	0	0	0	0	119.9
637	S	32.9	Very low	30.9	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	79%	0.785	S	S	*	*			cis	-144	163	10.4	52.7	0	0	0	0	113.9
638	E	25.8	Very low	30.5	Very low	178 Å²	178	140.7 Å²	140.7	83%	0.832	78%	0.782	S	S	*	*			trans	-95.4	167.9	175.5	-56.8	168.6	110.8	0	0	112.4
639	Y	32.7	Very low	30.6	Very low	239 Å²	239	139.1 Å²	139.1	94%	0.937	78%	0.777	S	S	*	*			trans	158.9	158.7	145.1	-86.5	-61.3	0	0	0	110.5
640	S	29.2	Very low	30.1	Very low	86 Å²	86	141.4 Å²	141.4	60%	0.601	78%	0.784	S	S	*	*				-160.6	165.1	-64.2	-169.2	0	0	0	0	110.5
641	N	29.3	Very low	30	Very low	129 Å²	129	138.1 Å²	138.1	69%	0.69	78%	0.783	S	S	*	*			trans	55.3	121.4	161.8	-61.8	-31.6	0	0	0	120.8
642	H	31.7	Very low	29.7	Very low	183 Å²	183	135.9 Å²	135.9	85%	0.847	78%	0.779	S	S	*	*				-174.5	158.9	91.2	-99.8	-73.8	0	0	0	113.2
643	N	26.2	Very low	29.6	Very low	146 Å²	146	135.7 Å²	135.7	78%	0.781	78%	0.778	S	S	*	*			trans	-164.2	-178.2	-172.5	-150.5	16.5	0	0	0	107.5
644	P	37.7	Very low	29.3	Very low	100 Å²	100	139 Å²	139	65%	0.649	79%	0.79	S	S	*	*				-116.1	-179.5	-50.5	37.6	-24.4	0	0	0	112.6
645	A	31.5	Very low	29.1	Very low	103 Å²	103	133.8 Å²	133.8	85%	0.851	78%	0.776	S	S	*	*			trans	-153.6	154.9	160.7	0	0	0	0	0	113.1
646	Y	27.2	Very low	29.1	Very low	218 Å²	218	133.8 Å²	133.8	86%	0.855	78%	0.776	S	S	*	*			trans	-103.1	149.9	-171.3	-72.8	-106.6	0	0	0	114.1
647	S	30.6	Very low	29	Very low	127 Å²	127	135.4 Å²	135.4	89%	0.888	78%	0.776	S	S	*	*				-163.9	162.1	128.6	-114.7	0	0	0	0	112.5
648	T	26.5	Very low	28.8	Very low	121 Å²	121	133.1 Å²	133.1	74%	0.742	76%	0.764	S	S	*	*			trans	-116.3	178.4	-156.1	-47.2	0	0	0	0	113.1
649	V	28.5	Very low	29.4	Very low	117 Å²	117	128 Å²	128	71%	0.709	74%	0.74	S	S	*	*			trans	83.3	102.9	164	-170.6	0	0	0	0	114.1
650	N	27.7	Very low	29.7	Very low	148 Å²	148	120 Å²	120	79%	0.791	71%	0.713	S	S	*	*				-170	152.6	61.1	-122.4	-20.6	0	0	0	112.8
651	P	25.5	Very low	30.3	Very low	125 Å²	125	121.2 Å²	121.2	81%	0.812	71%	0.71	S	S	*	*			trans	-103.3	95.5	177.2	36.3	-29.3	0	0	0	114.2
652	A	25.7	Very low	31.2	Very low	97 Å²	97	119.9 Å²	119.9	80%	0.802	70%	0.703	S	S	*	*			trans	-158.2	142.1	165.9	0	0	0	0	0	110.4
653	S	28.9	Very low	31.9	Very low	105 Å²	105	112.1 Å²	112.1	73%	0.734	67%	0.669	S	S	*	*			cis	-144.9	146.4	-5.3	47.9	0	0	0	0	110.5	S655	S653-S655 PolarHBondContact O-N 3.37Å
654	S	25.7	Very low	33	Very low	136 Å²	136	110.5 Å²	110.5	95%	0.951	66%	0.66	S	S	*	*			trans	-91.6	79.9	-161.4	56.9	0	0	0	0	114.3
655	S	28.1	Very low	33.8	Very low	70 Å²	70	109.2 Å²	109.2	49%	0.49	65%	0.647	S	S	.	*			trans	-117.7	-35.9	175.7	54.3	0	0	0	0	114.5	S653 M657 A658	S653-S655 PolarHBondContact O-N 3.37Å; S655-M657 PolarHBondContact O-N 3.38Å; S655-A658 PolarHBondContact O-N 3.05Å
656	N	29.5	Very low	35.1	Very low	128 Å²	128	108.2 Å²	108.2	68%	0.684	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-15.4	-163.2	-69.2	-25.8	0	0	0	116.3
657	M	27.4	Very low	36.8	Very low	173 Å²	173	99.6 Å²	99.6	85%	0.852	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-17.2	176	-82.8	-174.3	157	0	0	114.1	S655 Q659	S655-M657 PolarHBondContact O-N 3.38Å; M657-Q659 VanDerWaalsContact C-N 3.29Å; M657-Q659 PolarHBondContact O-N 2.87Å
658	A	30	Very low	38.4	Very low	66 Å²	66	96.4 Å²	96.4	55%	0.545	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.7	-12.4	-178	0	0	0	0	0	114.1	S655 N662	S655-A658 PolarHBondContact O-N 3.05Å; A658-N662 PolarHBondContact O-ND2 3.33Å
659	Q	38.2	Very low	40.2	Very low	70 Å²	70	94.2 Å²	94.2	33%	0.327	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86	-30.6	179.3	-72.6	-169.2	-26	0	0	113.5	M657 N662	M657-Q659 VanDerWaalsContact C-N 3.29Å; M657-Q659 PolarHBondContact O-N 2.87Å; Q659-N662 PolarHBondContact O-N 3.26Å
660	D	37.8	Very low	41.9	Very low	71 Å²	71	89.8 Å²	89.8	38%	0.38	53%	0.533	S	S	.	.	H	α-helix	trans	-66	-40.8	-177.1	-87	40.3	0	0	0	112.3	R523 N662	R523-D660 IonicContact CZ-OD1 3.27Å; R523-D660 IonicContact CZ-OD2 3.1Å; R523-D660 IonicContact NE-OD1 3.41Å; R523-D660 IonicContact NH1-OD1 3.33Å; R523-D660 PolarHBondContact NH1-OD1 2.82Å; R523-D660 IonicContact NH1-OD2 2.86Å; R523-D660 PolarHBondContact NH1-OD2 3.5Å; R523-D660 IonicContact NH2-OD1 2.71Å; R523-D660 PolarHBondContact NH2-OD1 2.76Å; R523-D660 IonicContact NH2-OD2 3.31Å; R523-D660 PolarHBondContact NH2-OD2 2.92Å; D660-N662 VanDerWaalsContact C-N 3.33Å; D660-N662 PolarHBondContact O-N 3.06Å
661	E	42.2	Very low	43.8	Very low	112 Å²	112	83.6 Å²	83.6	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-53.4	-43.6	173.3	-79	-71.9	127.9	0	0	113	S663 L664 N665	E661-S663 PolarHBondContact O-N 2.94Å; E661-L664 PolarHBondContact O-N 2.91Å; E661-N665 WeakPolarHBondContact O-CB 3.31Å; E661-N665 VanDerWaalsContact O-CG 3.29Å; E661-N665 PolarHBondContact O-N 3.07Å; E661-N665 PolarHBondContact O-ND2 2.97Å; E661-N665 PolarHBondContact OE2-ND2 3.35Å
662	N	48.5	Very low	45.9	Very low	101 Å²	101	81.3 Å²	81.3	54%	0.54	48%	0.479	S	S	.	.	H	α-helix	trans	-64.4	-41.2	-165	-81.3	-28.7	0	0	0	114	A658 Q659 D660 L664 M666	A658-N662 PolarHBondContact O-ND2 3.33Å; Q659-N662 PolarHBondContact O-N 3.26Å; D660-N662 VanDerWaalsContact C-N 3.33Å; D660-N662 PolarHBondContact O-N 3.06Å; N662-L664 VanDerWaalsContact C-N 3.35Å; N662-M666 WeakPolarHBondContact O-CB 3.43Å; N662-M666 VanDerWaalsContact O-CG 3.25Å; N662-M666 WeakPolarHBondContact O-CG 3.49Å; N662-M666 PolarHBondContact O-N 3.45Å
663	S	46.7	Very low	47.8	Very low	20 Å²	20	79 Å²	79	14%	0.14	46%	0.46	C	S	.	.	H	α-helix	trans	-67.8	-36	179.3	-71.5	0	0	0	0	112.1	Q520 E661 L667	Q520-S663 PolarHBondContact O-OG 2.73Å; E661-S663 PolarHBondContact O-N 2.94Å; S663-L667 PolarHBondContact O-N 3.47Å
664	L	49.1	Very low	49.7	Very low	112 Å²	112	74.4 Å²	74.4	59%	0.586	43%	0.427	S	S	*	.	H	α-helix	trans	-73.8	-45.4	177.9	-158.9	76.8	0	0	0	110.8	E661 N662 M666 L667 T668	E661-L664 PolarHBondContact O-N 2.91Å; N662-L664 VanDerWaalsContact C-N 3.35Å; L664-M666 VanDerWaalsContact C-N 3.28Å; L664-M666 PolarHBondContact O-N 2.94Å; L664-L667 WeakPolarHBondContact O-CB 3.29Å; L664-L667 PolarHBondContact O-N 3.45Å; L664-T668 PolarHBondContact O-N 2.94Å; L664-T668 PolarHBondContact O-OG1 2.97Å; L664-T668 VanDerWaalsContact O-OG1 3.14Å
665	N	55.2	Low	51.7	Low	73 Å²	73	68.1 Å²	68.1	39%	0.39	38%	0.383	S	S	.	.	H	α-helix	trans	-64.4	-31.1	179.5	-70.7	-25.8	0	0	0	112.8	E661 S669	E661-N665 WeakPolarHBondContact O-CB 3.31Å; E661-N665 VanDerWaalsContact O-CG 3.29Å; E661-N665 PolarHBondContact O-N 3.07Å; E661-N665 PolarHBondContact O-ND2 2.97Å; E661-N665 PolarHBondContact OE2-ND2 3.35Å; N665-S669 VanDerWaalsContact O-CB 3.28Å; N665-S669 WeakPolarHBondContact O-CB 3.31Å; N665-S669 PolarHBondContact O-N 2.99Å
666	M	57.5	Low	53.6	Low	83 Å²	83	71.7 Å²	71.7	41%	0.409	39%	0.385	S	S	.	.	H	α-helix	trans	-65.8	-40.8	170.2	-78	-65.8	-65.5	0	0	112.7	N662 L664 C670	N662-M666 WeakPolarHBondContact O-CB 3.43Å; N662-M666 VanDerWaalsContact O-CG 3.25Å; N662-M666 WeakPolarHBondContact O-CG 3.49Å; N662-M666 PolarHBondContact O-N 3.45Å; L664-M666 VanDerWaalsContact C-N 3.28Å; L664-M666 PolarHBondContact O-N 2.94Å; M666-C670 WeakPolarHBondContact O-CB 3.41Å; M666-C670 PolarHBondContact O-N 3.4Å; M666-C670 PolarHBondContact O-SG 3.04Å
667	L	62.6	Low	55.2	Low	36 Å²	36	67.1 Å²	67.1	19%	0.188	36%	0.363	C	S	.	.	H	α-helix	trans	-64.1	-48.7	173.6	-169.8	90.3	0	0	0	110.3	L519 S663 L664 S669 C670 I671	L519-L667 HydrophobicContact CD1-CD1 4.06Å; L519-L667 HydrophobicContact CD2-CD1 3.84Å; S663-L667 PolarHBondContact O-N 3.47Å; L664-L667 WeakPolarHBondContact O-CB 3.29Å; L664-L667 PolarHBondContact O-N 3.45Å; L667-S669 PolarHBondContact O-N 3.02Å; L667-C670 WeakPolarHBondContact O-CB 3.39Å; L667-C670 PolarHBondContact O-N 3.1Å; L667-C670 VanDerWaalsContact O-N 3.17Å; L667-I671 HydrophobicContact CD2-CD1 3.91Å; L667-I671 HydrophobicContact CG-CD1 3.87Å; L667-I671 WeakPolarHBondContact O-CB 3.31Å; L667-I671 VanDerWaalsContact O-CG1 3.29Å; L667-I671 WeakPolarHBondContact O-CG1 3.39Å; L667-I671 PolarHBondContact O-N 3.1Å
668	T	64	Low	57.1	Low	61 Å²	61	59 Å²	59	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-57.3	-45.1	177.5	-57.1	0	0	0	0	111.8	L664 C670 I671 E672	L664-T668 PolarHBondContact O-N 2.94Å; L664-T668 PolarHBondContact O-OG1 2.97Å; L664-T668 VanDerWaalsContact O-OG1 3.14Å; T668-C670 PolarHBondContact O-N 3.39Å; T668-I671 PolarHBondContact O-N 3.4Å; T668-E672 PolarHBondContact O-N 3.09Å
669	S	64.8	Low	58.8	Low	74 Å²	74	58.5 Å²	58.5	52%	0.517	31%	0.31	S	S	.	.	H	α-helix	trans	-63.6	-40	176.8	-170.2	0	0	0	0	112.4	N665 L667 E672 A673	N665-S669 VanDerWaalsContact O-CB 3.28Å; N665-S669 WeakPolarHBondContact O-CB 3.31Å; N665-S669 PolarHBondContact O-N 2.99Å; L667-S669 PolarHBondContact O-N 3.02Å; S669-E672 PolarHBondContact O-N 3.42Å; S669-A673 WeakPolarHBondContact O-CB 3.38Å; S669-A673 PolarHBondContact O-N 2.88Å
670	C	64.7	Low	59.8	Low	24 Å²	24	63.2 Å²	63.2	16%	0.162	32%	0.324	C	S	.	.	H	α-helix	trans	-63.7	-40.7	172.9	-71	0	0	0	0	112.3	C517 M666 L667 T668 A673 L674	C517-C670 HydrophobicContact CB-CB 3.98Å; M666-C670 WeakPolarHBondContact O-CB 3.41Å; M666-C670 PolarHBondContact O-N 3.4Å; M666-C670 PolarHBondContact O-SG 3.04Å; L667-C670 WeakPolarHBondContact O-CB 3.39Å; L667-C670 PolarHBondContact O-N 3.1Å; L667-C670 VanDerWaalsContact O-N 3.17Å; T668-C670 PolarHBondContact O-N 3.39Å; C670-A673 PolarHBondContact O-N 3.02Å; C670-L674 WeakPolarHBondContact O-CB 3.44Å; C670-L674 PolarHBondContact O-N 3.02Å
671	I	68.3	Low	60.7	Low	19 Å²	19	60.7 Å²	60.7	10%	0.097	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-41.6	177.3	-73.2	172.9	0	0	0	111.2	Y542 L543 I546 L667 T668 L674 N675	Y542-I671 HydrophobicContact CE1-CD1 3.97Å; L543-I671 HydrophobicContact CD2-CD1 3.78Å; L543-I671 HydrophobicContact CD2-CG1 3.59Å; I546-I671 HydrophobicContact CD1-CD1 4.38Å; I546-I671 HydrophobicContact CD1-CG2 3.88Å; I546-I671 HydrophobicContact CG2-CG2 3.87Å; L667-I671 HydrophobicContact CD2-CD1 3.91Å; L667-I671 HydrophobicContact CG-CD1 3.87Å; L667-I671 WeakPolarHBondContact O-CB 3.31Å; L667-I671 VanDerWaalsContact O-CG1 3.29Å; L667-I671 WeakPolarHBondContact O-CG1 3.39Å; L667-I671 PolarHBondContact O-N 3.1Å; T668-I671 PolarHBondContact O-N 3.4Å; I671-L674 WeakPolarHBondContact O-CB 3.25Å; I671-L674 PolarHBondContact O-N 2.71Å; I671-N675 WeakPolarHBondContact O-CB 3.29Å; I671-N675 PolarHBondContact O-N 2.71Å
672	E	68.3	Low	61.5	Low	76 Å²	76	57.9 Å²	57.9	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-43.5	172.2	-77.1	-166.3	-171.6	0	0	111.9	T668 S669 L674 N675 R676	T668-E672 PolarHBondContact O-N 3.09Å; S669-E672 PolarHBondContact O-N 3.42Å; E672-L674 VanDerWaalsContact C-N 3.31Å; E672-L674 PolarHBondContact O-N 3.31Å; E672-N675 PolarHBondContact O-N 3.15Å; E672-R676 VanDerWaalsContact O-CB 3.24Å; E672-R676 WeakPolarHBondContact O-CB 3.43Å; E672-R676 WeakPolarHBondContact O-CD 3.5Å; E672-R676 WeakPolarHBondContact O-CG 3.45Å; E672-R676 PolarHBondContact O-N 3.4Å; E672-R676 IonicContact OE2-CZ 3.75Å; E672-R676 IonicContact OE2-NE 3.92Å; E672-R676 PolarHBondContact OE2-NE 2.82Å; E672-R676 IonicContact OE2-NH2 2.82Å; E672-R676 PolarHBondContact OE2-NH2 3.46Å
673	A	66.2	Low	61.7	Low	50 Å²	50	63 Å²	63	41%	0.413	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-39.6	177.4	0	0	0	0	0	111.8	S669 C670 S677	S669-A673 WeakPolarHBondContact O-CB 3.38Å; S669-A673 PolarHBondContact O-N 2.88Å; C670-A673 PolarHBondContact O-N 3.02Å; A673-S677 VanDerWaalsContact O-CB 3.29Å; A673-S677 WeakPolarHBondContact O-CB 3.49Å; A673-S677 PolarHBondContact O-N 2.84Å; A673-S677 PolarHBondContact O-OG 2.88Å
674	L	69.3	Low	61.8	Low	8 Å²	8	70.7 Å²	70.7	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-58.3	-55.2	169.3	-89.1	162.1	0	0	0	111.3	V471 F515 C670 I671 E672 R676 S677 F678	V471-L674 HydrophobicContact CB-CD2 4.3Å; V471-L674 HydrophobicContact CG1-CD2 4.07Å; V471-L674 HydrophobicContact CG2-CD1 4.22Å; F515-L674 HydrophobicContact CB-CD2 3.7Å; F515-L674 HydrophobicContact CB-CG 4.47Å; F515-L674 HydrophobicContact CD1-CD2 4.07Å; F515-L674 HydrophobicContact CD2-CD2 3.53Å; F515-L674 HydrophobicContact CE2-CD2 4.19Å; F515-L674 HydrophobicContact CG-CD2 3.48Å; F515-L674 VanDerWaalsContact CG-CD2 3.48Å; F515-L674 HydrophobicContact CG-CG 4.47Å; C670-L674 WeakPolarHBondContact O-CB 3.44Å; C670-L674 PolarHBondContact O-N 3.02Å; I671-L674 WeakPolarHBondContact O-CB 3.25Å; I671-L674 PolarHBondContact O-N 2.71Å; E672-L674 VanDerWaalsContact C-N 3.31Å; E672-L674 PolarHBondContact O-N 3.31Å; L674-R676 PolarHBondContact O-N 3.35Å; L674-S677 CarbonylContact O-C 3.46Å; L674-S677 WeakPolarHBondContact O-CA 3.37Å; L674-S677 WeakPolarHBondContact O-CB 3.43Å; L674-S677 PolarHBondContact O-N 3.26Å; L674-F678 WeakPolarHBondContact O-CB 3.09Å; L674-F678 PolarHBondContact O-N 3.19Å
675	N	68.3	Low	61.7	Low	3 Å²	3	68 Å²	68	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-40.3	-175.2	-157.7	6	0	0	0	112.4	L547 N552 I671 E672 S677 F678 H679	L547-N675 HydrophobicContact CD2-CB 4.23Å; N552-N675 PolarHBondContact ND2-ND2 2.93Å; N552-N675 PolarHBondContact OD1-ND2 3.44Å; I671-N675 WeakPolarHBondContact O-CB 3.29Å; I671-N675 PolarHBondContact O-N 2.71Å; E672-N675 PolarHBondContact O-N 3.15Å; N675-S677 PolarHBondContact O-N 3.49Å; N675-F678 PolarHBondContact O-N 3.23Å; N675-H679 WeakPolarHBondContact O-CB 3.41Å; N675-H679 PolarHBondContact O-N 3.34Å
676	R	66.8	Low	61.2	Low	146 Å²	146	69.4 Å²	69.4	55%	0.551	33%	0.328	S	S	*	.	H	α-helix	trans	-59.5	-34.1	171.9	-67.8	165.3	-166.3	-85.8	7.5	111.6	E672 L674 R680	E672-R676 VanDerWaalsContact O-CB 3.24Å; E672-R676 WeakPolarHBondContact O-CB 3.43Å; E672-R676 WeakPolarHBondContact O-CD 3.5Å; E672-R676 WeakPolarHBondContact O-CG 3.45Å; E672-R676 PolarHBondContact O-N 3.4Å; E672-R676 IonicContact OE2-CZ 3.75Å; E672-R676 IonicContact OE2-NE 3.92Å; E672-R676 PolarHBondContact OE2-NE 2.82Å; E672-R676 IonicContact OE2-NH2 2.82Å; E672-R676 PolarHBondContact OE2-NH2 3.46Å; L674-R676 PolarHBondContact O-N 3.35Å; R676-R680 WeakPolarHBondContact O-CD 3.28Å; R676-R680 WeakPolarHBondContact O-CG 3.38Å; R676-R680 PolarHBondContact O-N 3.07Å
677	S	63.8	Low	60.3	Low	31 Å²	31	71 Å²	71	22%	0.217	34%	0.342	C	S	.	.	H	α-helix	trans	-79	-42	177.1	-58.4	0	0	0	0	112.5	F515 A673 L674 N675 H679 R680 M681	F515-S677 VanDerWaalsContact CE1-CB 3.45Å; A673-S677 VanDerWaalsContact O-CB 3.29Å; A673-S677 WeakPolarHBondContact O-CB 3.49Å; A673-S677 PolarHBondContact O-N 2.84Å; A673-S677 PolarHBondContact O-OG 2.88Å; L674-S677 CarbonylContact O-C 3.46Å; L674-S677 WeakPolarHBondContact O-CA 3.37Å; L674-S677 WeakPolarHBondContact O-CB 3.43Å; L674-S677 PolarHBondContact O-N 3.26Å; N675-S677 PolarHBondContact O-N 3.49Å; S677-H679 PolarHBondContact O-N 2.93Å; S677-R680 WeakPolarHBondContact O-CA 3.47Å; S677-R680 WeakPolarHBondContact O-CB 3.43Å; S677-R680 PolarHBondContact O-N 3.09Å; S677-M681 WeakPolarHBondContact O-CG 3.43Å; S677-M681 PolarHBondContact O-N 3.16Å
678	F	66.8	Low	59.1	Low	4 Å²	4	71.8 Å²	71.8	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-59.7	-45.6	174.1	-174.9	-107.1	0	0	0	111.7	I473 F475 L547 L674 N675 R680 M681 R682 F702	I473-F678 HydrophobicContact CD1-CD2 3.91Å; I473-F678 HydrophobicContact CG2-CD2 4.24Å; I473-F678 HydrophobicContact CG2-CE2 3.96Å; F475-F678 AromaticContact CE1-CE2 3.7Å; F475-F678 HydrophobicContact CE1-CE2 3.7Å; F475-F678 HydrophobicContact CE1-CZ 4.35Å; F475-F678 AromaticContact CZ-CD2 3.99Å; F475-F678 HydrophobicContact CZ-CD2 3.99Å; F475-F678 AromaticContact CZ-CE2 3.59Å; F475-F678 HydrophobicContact CZ-CE2 3.59Å; L547-F678 HydrophobicContact CB-CD1 4.34Å; L547-F678 HydrophobicContact CB-CE1 4.31Å; L547-F678 HydrophobicContact CD2-CB 3.88Å; L547-F678 HydrophobicContact CD2-CD1 4.1Å; L547-F678 HydrophobicContact CD2-CG 3.99Å; L547-F678 VanDerWaalsContact O-CE1 3.29Å; L547-F678 WeakPolarHBondContact O-CE1 3.24Å; L674-F678 WeakPolarHBondContact O-CB 3.09Å; L674-F678 PolarHBondContact O-N 3.19Å; N675-F678 PolarHBondContact O-N 3.23Å; F678-R680 VanDerWaalsContact C-N 3.32Å; F678-R680 PolarHBondContact O-N 2.9Å; F678-M681 HydrophobicContact CD2-CE 4.23Å; F678-M681 PolarHBondContact O-N 3.45Å; F678-R682 WeakPolarHBondContact O-CB 3.16Å; F678-R682 PolarHBondContact O-N 2.87Å; F678-F702 HydrophobicContact CE1-CE1 4.5Å; F678-F702 HydrophobicContact CE2-CD1 4.4Å; F678-F702 HydrophobicContact CE2-CE1 4.44Å; F678-F702 HydrophobicContact CE2-CG 4.49Å; F678-F702 AromaticContact CZ-CD1 3.94Å; F678-F702 HydrophobicContact CZ-CD1 3.94Å; F678-F702 AromaticContact CZ-CE1 3.73Å; F678-F702 HydrophobicContact CZ-CE1 3.73Å; F678-F702 HydrophobicContact CZ-CG 4.47Å; F678-F702 HydrophobicContact CZ-CZ 4.07Å
679	H	65	Low	57.5	Low	55 Å²	55	75.5 Å²	75.5	26%	0.255	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-33	171.4	-80.2	-34.3	0	0	0	113.5	N552 N675 S677 R683	N552-H679 PolarHBondContact ND2-CD2 3.2Å; N552-H679 PolarHBondContact ND2-NE2 2.87Å; N552-H679 VanDerWaalsContact ND2-NE2 3.15Å; N675-H679 WeakPolarHBondContact O-CB 3.41Å; N675-H679 PolarHBondContact O-N 3.34Å; S677-H679 PolarHBondContact O-N 2.93Å; H679-R683 WeakPolarHBondContact O-CB 3.37Å; H679-R683 WeakPolarHBondContact O-CG 3.44Å; H679-R683 PolarHBondContact O-N 3.33Å
680	R	59.5	Low	56.2	Low	168 Å²	168	76.5 Å²	76.5	63%	0.634	38%	0.384	S	S	*	.	H	α-helix	trans	-68.7	-35.6	173.6	-77.4	165.5	176.7	172.7	-1.8	112.4	R676 S677 F678 R684	R676-R680 WeakPolarHBondContact O-CD 3.28Å; R676-R680 WeakPolarHBondContact O-CG 3.38Å; R676-R680 PolarHBondContact O-N 3.07Å; S677-R680 WeakPolarHBondContact O-CA 3.47Å; S677-R680 WeakPolarHBondContact O-CB 3.43Å; S677-R680 PolarHBondContact O-N 3.09Å; F678-R680 VanDerWaalsContact C-N 3.32Å; F678-R680 PolarHBondContact O-N 2.9Å; R680-R684 WeakPolarHBondContact O-CG 3.29Å; R680-R684 PolarHBondContact O-N 3.23Å
681	M	57	Low	55.1	Low	18 Å²	18	80 Å²	80	9%	0.089	40%	0.4	C	S	.	.	H	α-helix	trans	-67.5	-53.4	172.4	-64.3	-171.4	-65	0	0	110.2	I473 F475 F515 S677 F678 R683 R684	I473-M681 HydrophobicContact CD1-CE 4.45Å; F475-M681 HydrophobicContact CE2-CE 4.1Å; F475-M681 HydrophobicContact CE2-SD 4.49Å; F475-M681 HydrophobicContact CZ-CE 4.17Å; F515-M681 HydrophobicContact CE2-CE 4.11Å; F515-M681 HydrophobicContact CZ-CE 3.93Å; S677-M681 WeakPolarHBondContact O-CG 3.43Å; S677-M681 PolarHBondContact O-N 3.16Å; F678-M681 HydrophobicContact CD2-CE 4.23Å; F678-M681 PolarHBondContact O-N 3.45Å; M681-R683 PolarHBondContact O-N 2.82Å; M681-R683 VanDerWaalsContact O-N 3.15Å; M681-R684 PolarHBondContact O-N 2.94Å
682	R	59	Low	53.5	Low	54 Å²	54	83 Å²	83	20%	0.204	42%	0.421	C	S	.	.	H	α-helix	trans	-58.2	-29.5	179.6	-163.4	170.2	177.8	-146.7	-10.1	113.6	E550 F678 V686 F699	E550-R682 IonicContact OE1-CZ 2.86Å; E550-R682 IonicContact OE1-NH1 2.74Å; E550-R682 PolarHBondContact OE1-NH1 2.95Å; E550-R682 IonicContact OE1-NH2 3.03Å; E550-R682 PolarHBondContact OE1-NH2 3.15Å; F678-R682 WeakPolarHBondContact O-CB 3.16Å; F678-R682 PolarHBondContact O-N 2.87Å; R682-V686 VanDerWaalsContact O-CG2 3.3Å; R682-V686 WeakPolarHBondContact O-CG2 3.46Å; R682-F699 HydrophobicContact CG-CD1 4.15Å; R682-F699 HydrophobicContact CG-CE1 4.41Å
683	R	53.5	Low	52.2	Low	207 Å²	207	85.6 Å²	85.6	78%	0.781	44%	0.442	S	S	*	.	H	α-helix	trans	-79.8	-20.2	172.7	-78.1	-170.9	178.8	-146.7	0.5	115.1	H679 M681 T687	H679-R683 WeakPolarHBondContact O-CB 3.37Å; H679-R683 WeakPolarHBondContact O-CG 3.44Å; H679-R683 PolarHBondContact O-N 3.33Å; M681-R683 PolarHBondContact O-N 2.82Å; M681-R683 VanDerWaalsContact O-N 3.15Å; R683-T687 PolarHBondContact O-OG1 2.79Å
684	R	49.2	Very low	51.1	Low	183 Å²	183	91.1 Å²	91.1	69%	0.691	46%	0.459	S	S	*	.	H	α-helix	trans	-79.4	-36.2	-176.3	-84.6	173.1	169.4	177.5	-4.2	113.1	R680 M681 T687	R680-R684 WeakPolarHBondContact O-CG 3.29Å; R680-R684 PolarHBondContact O-N 3.23Å; M681-R684 PolarHBondContact O-N 2.94Å; R684-T687 PolarHBondContact O-OG1 2.98Å
685	E	46.1	Very low	50	Low	55 Å²	55	94.5 Å²	94.5	26%	0.257	48%	0.475	S	S	.	.	H	α-helix	trans	-76.5	-27.8	178.6	-67.8	178.2	139.3	0	0	112.7	T687 S688 F699	E685-T687 PolarHBondContact O-N 2.91Å; E685-T687 VanDerWaalsContact O-N 3.15Å; E685-S688 PolarHBondContact O-OG 3.26Å; E685-F699 HydrophobicContact CB-CZ 4.09Å; E685-F699 WeakPolarHBondContact OE2-CE1 3.45Å
686	V	44.5	Very low	48.7	Very low	103 Å²	103	98.3 Å²	98.3	62%	0.624	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.8	175.7	175.2	0	0	0	0	113.3	R682 S688	R682-V686 VanDerWaalsContact O-CG2 3.3Å; R682-V686 WeakPolarHBondContact O-CG2 3.46Å; V686-S688 PolarHBondContact O-N 3.02Å; V686-S688 VanDerWaalsContact O-N 3.09Å
687	T	39.4	Very low	47.4	Very low	115 Å²	115	96.7 Å²	96.7	71%	0.706	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	14.2	179.7	-13.6	0	0	0	0	114.7	R683 R684 E685	R683-T687 PolarHBondContact O-OG1 2.79Å; R684-T687 PolarHBondContact O-OG1 2.98Å; E685-T687 PolarHBondContact O-N 2.91Å; E685-T687 VanDerWaalsContact O-N 3.15Å
688	S	36.3	Very low	46.5	Very low	53 Å²	53	100.1 Å²	100.1	37%	0.371	51%	0.513	S	S	.	.			trans	-100.5	114.1	174.4	50.7	0	0	0	0	110.4	E685 V686 S690	E685-S688 PolarHBondContact O-OG 3.26Å; V686-S688 PolarHBondContact O-N 3.02Å; V686-S688 VanDerWaalsContact O-N 3.09Å; S688-S690 VanDerWaalsContact C-N 3.25Å; S688-S690 PolarHBondContact O-N 3.02Å
689	P	31.7	Very low	45.6	Very low	139 Å²	139	102.3 Å²	102.3	90%	0.903	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	42.8	-162.5	35.6	-38.8	0	0	0	114.3
690	S	36.6	Very low	45	Very low	96 Å²	96	103.9 Å²	103.9	67%	0.671	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.3	11.7	-170.4	58.7	0	0	0	0	116.7	S688	S688-S690 VanDerWaalsContact C-N 3.25Å; S688-S690 PolarHBondContact O-N 3.02Å
691	L	40.9	Very low	44.9	Very low	96 Å²	96	106.3 Å²	106.3	50%	0.503	54%	0.541	S	S	.	.			trans	-99.2	127.4	-175.7	-90.5	59.8	0	0	0	112.9	Q695	L691-Q695 VanDerWaalsContact CD2-OE1 3.25Å
692	P	36	Very low	45.5	Very low	83 Å²	83	105.9 Å²	105.9	54%	0.539	54%	0.539	S	S	.	.			trans	-65.2	154.5	173.1	-23.3	34.6	0	0	0	114.3	E694 Q695	P692-E694 PolarHBondContact O-N 3.15Å; P692-Q695 PolarHBondContact O-N 3.42Å
693	T	40.9	Very low	46.2	Very low	130 Å²	130	108.3 Å²	108.3	80%	0.798	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-56.1	-24.3	-170.4	-41.1	0	0	0	0	115.5	Q695 V696	T693-Q695 VanDerWaalsContact C-N 3.29Å; T693-Q695 PolarHBondContact O-N 2.95Å; T693-V696 WeakPolarHBondContact O-CG2 3.43Å
694	E	42.9	Very low	47.4	Very low	166 Å²	166	98.4 Å²	98.4	78%	0.776	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-64.6	-28.7	179.5	-67.2	-174.9	110.6	0	0	113.7	P692 V696 N697	P692-E694 PolarHBondContact O-N 3.15Å; E694-V696 PolarHBondContact O-N 3.17Å; E694-V696 VanDerWaalsContact O-N 3.11Å; E694-N697 PolarHBondContact O-N 2.8Å
695	Q	45	Very low	48.9	Very low	80 Å²	80	92.9 Å²	92.9	37%	0.374	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-70.7	-9.7	-174.4	-60.2	-167.4	28.1	0	0	113.7	L691 P692 T693 N697 E698	L691-Q695 VanDerWaalsContact CD2-OE1 3.25Å; P692-Q695 PolarHBondContact O-N 3.42Å; T693-Q695 VanDerWaalsContact C-N 3.29Å; T693-Q695 PolarHBondContact O-N 2.95Å; Q695-N697 PolarHBondContact O-N 3.41Å; Q695-E698 PolarHBondContact O-N 3.17Å
696	V	42.5	Very low	50.8	Low	83 Å²	83	91.9 Å²	91.9	50%	0.503	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-60.7	-28.5	172.2	-178	0	0	0	0	111.8	T693 E694	T693-V696 WeakPolarHBondContact O-CG2 3.43Å; E694-V696 PolarHBondContact O-N 3.17Å; E694-V696 VanDerWaalsContact O-N 3.11Å
697	N	39.7	Very low	52.7	Low	111 Å²	111	92.8 Å²	92.8	59%	0.594	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-75.1	-21.5	178.9	-80.5	-24.2	0	0	0	114.2	E694 Q695 F699 I700	E694-N697 PolarHBondContact O-N 2.8Å; Q695-N697 PolarHBondContact O-N 3.41Å; N697-F699 PolarHBondContact O-N 2.86Å; N697-I700 HydrophobicContact CB-CD1 4.34Å; N697-I700 WeakPolarHBondContact O-CB 3.47Å; N697-I700 WeakPolarHBondContact O-CG1 3.29Å; N697-I700 PolarHBondContact O-N 2.9Å; N697-I700 VanDerWaalsContact O-N 3.12Å; N697-I700 WeakPolarHBondContact OD1-CD1 3.33Å
698	E	43.8	Very low	54.9	Low	103 Å²	103	87.5 Å²	87.5	48%	0.481	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-65.8	-31.5	-179.1	-159.8	176.3	-151.9	0	0	111.1	R484 Q695 I700 R701	R484-E698 IonicContact CZ-OE1 2.67Å; R484-E698 IonicContact CZ-OE2 3.81Å; R484-E698 IonicContact NH1-OE1 3.39Å; R484-E698 IonicContact NH1-OE2 2.73Å; R484-E698 PolarHBondContact NH1-OE2 3.47Å; R484-E698 IonicContact NH2-OE1 3.44Å; R484-E698 PolarHBondContact NH2-OE1 3.05Å; R484-E698 IonicContact NH2-OE2 3.11Å; R484-E698 PolarHBondContact NH2-OE2 3.41Å; R484-E698 VanDerWaalsContact NH2-OE2 3.11Å; Q695-E698 PolarHBondContact O-N 3.17Å; E698-I700 PolarHBondContact O-N 3.05Å; E698-I700 VanDerWaalsContact O-N 3.07Å; E698-R701 PolarHBondContact O-N 3.45Å
699	F	47.5	Very low	57.2	Low	51 Å²	51	86.5 Å²	86.5	22%	0.224	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-63.2	-9.5	173.8	-76.9	-81.2	0	0	0	115.3	R682 E685 N697 R701	R682-F699 HydrophobicContact CG-CD1 4.15Å; R682-F699 HydrophobicContact CG-CE1 4.41Å; E685-F699 HydrophobicContact CB-CZ 4.09Å; E685-F699 WeakPolarHBondContact OE2-CE1 3.45Å; N697-F699 PolarHBondContact O-N 2.86Å; F699-R701 VanDerWaalsContact C-N 3.35Å
700	I	52.3	Low	59.8	Low	88 Å²	88	87.4 Å²	87.4	45%	0.451	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-78.5	-23.6	178.1	-57.6	175.1	0	0	0	111	N697 E698 F702	N697-I700 HydrophobicContact CB-CD1 4.34Å; N697-I700 WeakPolarHBondContact O-CB 3.47Å; N697-I700 WeakPolarHBondContact O-CG1 3.29Å; N697-I700 PolarHBondContact O-N 2.9Å; N697-I700 VanDerWaalsContact O-N 3.12Å; N697-I700 WeakPolarHBondContact OD1-CD1 3.33Å; E698-I700 PolarHBondContact O-N 3.05Å; E698-I700 VanDerWaalsContact O-N 3.07Å; I700-F702 PolarHBondContact O-N 2.84Å
701	R	59.4	Low	61.9	Low	218 Å²	218	92.1 Å²	92.1	82%	0.823	44%	0.44	S	S	*	.			trans	-91.3	66.4	179.4	-66	-173.6	178	-170.5	-0	112.1	E698 F699	E698-R701 PolarHBondContact O-N 3.45Å; F699-R701 VanDerWaalsContact C-N 3.35Å
702	F	69.6	Low	63.9	Low	10 Å²	10	90.3 Å²	90.3	4%	0.044	43%	0.429	C	S	.	.			trans	-107	144.7	162.2	69.4	-89.7	0	0	0	110.6	I473 D474 F475 M544 L547 R548 F678 I700	I473-F702 HydrophobicContact CG2-CB 4.32Å; I473-F702 HydrophobicContact CG2-CD2 4Å; I473-F702 HydrophobicContact CG2-CG 4.41Å; D474-F702 WeakPolarHBondContact O-CA 3.46Å; F475-F702 HydrophobicContact CD1-CB 4.03Å; F475-F702 HydrophobicContact CE1-CB 4.3Å; M544-F702 HydrophobicContact CE-CD2 4.23Å; M544-F702 HydrophobicContact CE-CE2 4.08Å; M544-F702 WeakPolarHBondContact CE-O 3.45Å; M544-F702 HydrophobicContact CG-CE2 4.15Å; M544-F702 HydrophobicContact CG-CZ 4.26Å; L547-F702 HydrophobicContact CB-CE2 4.32Å; L547-F702 HydrophobicContact CB-CZ 3.91Å; L547-F702 HydrophobicContact CD1-CE2 4.4Å; R548-F702 HydrophobicContact CG-CE1 3.94Å; R548-F702 HydrophobicContact CG-CZ 3.91Å; F678-F702 HydrophobicContact CE1-CE1 4.5Å; F678-F702 HydrophobicContact CE2-CD1 4.4Å; F678-F702 HydrophobicContact CE2-CE1 4.44Å; F678-F702 HydrophobicContact CE2-CG 4.49Å; F678-F702 AromaticContact CZ-CD1 3.94Å; F678-F702 HydrophobicContact CZ-CD1 3.94Å; F678-F702 AromaticContact CZ-CE1 3.73Å; F678-F702 HydrophobicContact CZ-CE1 3.73Å; F678-F702 HydrophobicContact CZ-CG 4.47Å; F678-F702 HydrophobicContact CZ-CZ 4.07Å; I700-F702 PolarHBondContact O-N 2.84Å
703	E	72	Confident	66.3	Low	104 Å²	104	87 Å²	87	49%	0.486	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	144.2	166.1	-73	-132.5	98.6	0	0	110.9	I473 D474 R540	I473-E703 WeakPolarHBondContact CA-O 3.42Å; D474-E703 HydrophobicContact CB-CB 4.32Å; D474-E703 PolarHBondContact N-O 3.26Å; D474-E703 PolarHBondContact O-N 3.47Å; R540-E703 IonicContact CZ-OE1 3.14Å; R540-E703 IonicContact NH2-OE1 2.71Å; R540-E703 PolarHBondContact NH2-OE1 2.67Å
704	L	79.5	Confident	68.5	Low	0 Å²	0	83.6 Å²	83.6	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.9	172.4	-170.4	100.6	0	0	0	108.6	V471 I473 R540 L543 L547 L706	V471-L704 HydrophobicContact CG1-CD1 3.89Å; V471-L704 HydrophobicContact CG1-CG 4.38Å; I473-L704 HydrophobicContact CG1-CD1 4.42Å; R540-L704 HydrophobicContact CG-CB 4.48Å; R540-L704 HydrophobicContact CG-CD2 3.93Å; R540-L704 PolarHBondContact NE-O 2.95Å; R540-L704 PolarHBondContact NH2-O 2.87Å; L543-L704 HydrophobicContact CB-CD2 3.71Å; L543-L704 HydrophobicContact CD1-CD2 4.35Å; L547-L704 HydrophobicContact CD1-CD1 3.63Å; L704-L706 HydrophobicContact CD2-CD1 4.21Å; L704-L706 HydrophobicContact CD2-CD2 3.79Å; L704-L706 HydrophobicContact CD2-CG 3.95Å; L704-L706 HydrophobicContact CG-CD2 4.22Å
705	N	80.4	Confident	70.5	Confident	67 Å²	67	80.2 Å²	80.2	36%	0.358	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.9	-179.6	-79.1	-45	0	0	0	109.9	N472 D474	N472-N705 HydrophobicContact CB-CB 4.25Å; N472-N705 PolarHBondContact N-O 2.92Å; N472-N705 PolarHBondContact O-N 3.39Å; D474-N705 PolarHBondContact OD2-ND2 2.94Å
706	L	85.1	Confident	72.3	Confident	33 Å²	33	76.6 Å²	76.6	17%	0.173	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.2	-176.8	-60.3	-177.2	0	0	0	110.3	L469 H470 V471 Y534 L539 R540 L543 L704	L469-L706 HydrophobicContact CD1-CB 4.28Å; L469-L706 HydrophobicContact CD1-CD2 4.27Å; H470-L706 WeakPolarHBondContact O-CA 3.47Å; V471-L706 HydrophobicContact CB-CD2 4.15Å; V471-L706 HydrophobicContact CG1-CD2 3.88Å; V471-L706 HydrophobicContact CG2-CD2 3.78Å; Y534-L706 HydrophobicContact CD2-CB 4.45Å; Y534-L706 HydrophobicContact CE2-CB 4.03Å; L539-L706 HydrophobicContact CB-CD1 4.35Å; L539-L706 HydrophobicContact CD2-CD1 4.16Å; L539-L706 HydrophobicContact CG-CD1 3.95Å; R540-L706 HydrophobicContact CB-CD1 4.02Å; L543-L706 HydrophobicContact CD1-CD1 4.04Å; L543-L706 HydrophobicContact CD1-CD2 3.83Å; L704-L706 HydrophobicContact CD2-CD1 4.21Å; L704-L706 HydrophobicContact CD2-CD2 3.79Å; L704-L706 HydrophobicContact CD2-CG 3.95Å; L704-L706 HydrophobicContact CG-CD2 4.22Å
707	F	85.3	Confident	74.3	Confident	123 Å²	123	76.7 Å²	76.7	54%	0.539	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	124.2	173.5	177.7	-92.4	0	0	0	111.5	H470	H470-F707 HydrophobicContact CB-CB 4.21Å; H470-F707 HydrophobicContact CB-CD1 4.49Å; H470-F707 PolarHBondContact N-O 2.81Å; H470-F707 PolarHBondContact O-N 3.49Å
708	V	85	Confident	76.3	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.024	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.8	169.5	-178.8	0	0	0	0	108.6	I467 L469 F530 W531 Y534 R710	I467-V708 HydrophobicContact CG2-CG1 3.46Å; I467-V708 VanDerWaalsContact CG2-CG1 3.46Å; L469-V708 HydrophobicContact CB-CG2 4.33Å; L469-V708 HydrophobicContact CD1-CG2 3.48Å; L469-V708 VanDerWaalsContact CD1-CG2 3.48Å; F530-V708 HydrophobicContact CE1-CG2 4.37Å; F530-V708 HydrophobicContact CZ-CG2 4.06Å; W531-V708 HydrophobicContact CE3-CG1 4.38Å; W531-V708 HydrophobicContact CZ3-CB 4.13Å; W531-V708 HydrophobicContact CZ3-CG1 3.85Å; Y534-V708 HydrophobicContact CD1-CB 4.28Å; Y534-V708 HydrophobicContact CD1-CG2 4.4Å; Y534-V708 HydrophobicContact CD2-CB 4.42Å; Y534-V708 HydrophobicContact CD2-CG2 3.79Å; Y534-V708 HydrophobicContact CE1-CB 3.88Å; Y534-V708 HydrophobicContact CE1-CG2 4.3Å; Y534-V708 HydrophobicContact CE2-CB 4.03Å; Y534-V708 HydrophobicContact CE2-CG2 3.67Å; Y534-V708 HydrophobicContact CG-CG2 4.16Å; Y534-V708 PolarHBondContact OH-N 3.41Å; V708-R710 PolarHBondContact O-N 3.14Å; V708-R710 VanDerWaalsContact O-N 3.14Å
709	S	85.6	Confident	78.1	Confident	32 Å²	32	71.1 Å²	71.1	22%	0.224	32%	0.321	C	S	.	.			trans	-67.3	111.8	176.3	175.5	0	0	0	0	110.7	R711 E712 Y713	S709-R711 PolarHBondContact O-N 3.41Å; S709-R711 VanDerWaalsContact O-N 3.09Å; S709-R711 PolarHBondContact OG-N 2.87Å; S709-E712 WeakPolarHBondContact O-CA 3.42Å; S709-E712 WeakPolarHBondContact O-CB 3.4Å; S709-E712 PolarHBondContact O-N 3.36Å; S709-E712 PolarHBondContact OG-N 3.47Å; S709-Y713 PolarHBondContact O-N 3.34Å
710	R	86.2	Confident	79.8	Confident	157 Å²	157	68.7 Å²	68.7	59%	0.592	31%	0.311	S	S	*	.	H	α-helix	trans	-54.6	-30.7	173.2	-176	173.9	177	172.8	2.6	112.2	W531 V708 Y713 E714	W531-R710 HydrophobicContact CH2-CB 3.89Å; W531-R710 HydrophobicContact CH2-CG 4.07Å; W531-R710 HydrophobicContact CZ2-CB 4.37Å; W531-R710 HydrophobicContact CZ2-CG 4.06Å; V708-R710 PolarHBondContact O-N 3.14Å; V708-R710 VanDerWaalsContact O-N 3.14Å; R710-Y713 PolarHBondContact O-N 3.28Å; R710-E714 HydrophobicContact CG-CG 3.97Å; R710-E714 IonicContact CZ-OE1 3.8Å; R710-E714 VanDerWaalsContact CZ-OE1 3.24Å; R710-E714 IonicContact NE-OE1 3.01Å; R710-E714 PolarHBondContact NE-OE1 3.17Å; R710-E714 IonicContact NH2-OE1 3.47Å; R710-E714 PolarHBondContact NH2-OE1 3.11Å; R710-E714 WeakPolarHBondContact O-CG 3.23Å; R710-E714 PolarHBondContact O-N 3.33Å
711	R	80.6	Confident	81.1	Confident	195 Å²	195	67.9 Å²	67.9	74%	0.736	31%	0.306	S	S	*	.	H	α-helix	trans	-68.4	-36.1	175.6	-175.1	179.6	-69.9	164	-0.4	112.1	S709 N715	S709-R711 PolarHBondContact O-N 3.41Å; S709-R711 VanDerWaalsContact O-N 3.09Å; S709-R711 PolarHBondContact OG-N 2.87Å; R711-N715 WeakPolarHBondContact O-CB 3.36Å; R711-N715 PolarHBondContact O-N 3.42Å; R711-N715 VanDerWaalsContact O-N 3.12Å; R711-N715 PolarHBondContact O-ND2 3.23Å
712	E	82.9	Confident	81.8	Confident	59 Å²	59	63 Å²	63	28%	0.276	29%	0.288	S	S	.	.	H	α-helix	trans	-68.3	-43	173.7	-67.7	-178.3	173.4	0	0	110.8	I467 K468 S709 N715 G716	I467-E712 HydrophobicContact CG1-CB 4.47Å; K468-E712 PolarHBondContact N-OE2 2.7Å; S709-E712 WeakPolarHBondContact O-CA 3.42Å; S709-E712 WeakPolarHBondContact O-CB 3.4Å; S709-E712 PolarHBondContact O-N 3.36Å; S709-E712 PolarHBondContact OG-N 3.47Å; E712-N715 PolarHBondContact O-N 2.75Å; E712-G716 PolarHBondContact O-N 3.4Å
713	Y	87.1	Confident	81.8	Confident	14 Å²	14	65 Å²	65	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-57	-57.3	173.6	170.2	-102	0	0	0	112.8	L527 W531 S709 R710 N715 G716 R717	L527-Y713 HydrophobicContact CD1-CD2 3.76Å; L527-Y713 HydrophobicContact CD1-CE2 4.03Å; L527-Y713 HydrophobicContact CD2-CE2 4.49Å; L527-Y713 HydrophobicContact CG-CD2 4.1Å; L527-Y713 HydrophobicContact CG-CE2 3.9Å; W531-Y713 HydrophobicContact CB-CD2 3.73Å; W531-Y713 HydrophobicContact CB-CE2 3.26Å; W531-Y713 AromaticContact CD1-CE1 3.66Å; W531-Y713 AromaticContact CD1-CE2 3.78Å; W531-Y713 AromaticContact CD1-CZ 3.37Å; W531-Y713 AromaticContact CD2-CD1 3.71Å; W531-Y713 HydrophobicContact CD2-CD1 3.71Å; W531-Y713 AromaticContact CD2-CD2 3.53Å; W531-Y713 HydrophobicContact CD2-CD2 3.53Å; W531-Y713 AromaticContact CD2-CE1 3.9Å; W531-Y713 HydrophobicContact CD2-CE1 3.9Å; W531-Y713 AromaticContact CD2-CE2 3.74Å; W531-Y713 HydrophobicContact CD2-CE2 3.74Å; W531-Y713 AromaticContact CD2-CG 3.52Å; W531-Y713 HydrophobicContact CD2-CG 3.52Å; W531-Y713 AromaticContact CD2-CZ 3.91Å; W531-Y713 AromaticContact CE2-CD1 3.6Å; W531-Y713 AromaticContact CE2-CE1 3.74Å; W531-Y713 AromaticContact CE2-CG 3.9Å; W531-Y713 HydrophobicContact CE3-CD1 4.12Å; W531-Y713 AromaticContact CE3-CD2 3.63Å; W531-Y713 HydrophobicContact CE3-CD2 3.63Å; W531-Y713 HydrophobicContact CE3-CE2 4.3Å; W531-Y713 AromaticContact CE3-CG 3.54Å; W531-Y713 HydrophobicContact CE3-CG 3.54Å; W531-Y713 HydrophobicContact CG-CD1 4.14Å; W531-Y713 AromaticContact CG-CD2 3.59Å; W531-Y713 HydrophobicContact CG-CD2 3.59Å; W531-Y713 AromaticContact CG-CE1 3.85Å; W531-Y713 HydrophobicContact CG-CE1 3.85Å; W531-Y713 AromaticContact CG-CE2 3.28Å; W531-Y713 HydrophobicContact CG-CE2 3.28Å; W531-Y713 HydrophobicContact CG-CG 4.02Å; W531-Y713 AromaticContact CG-CZ 3.4Å; W531-Y713 HydrophobicContact CH2-CD1 4.34Å; W531-Y713 HydrophobicContact CH2-CG 4.3Å; W531-Y713 AromaticContact CZ2-CD1 3.94Å; W531-Y713 HydrophobicContact CZ2-CD1 3.94Å; W531-Y713 HydrophobicContact CZ2-CE1 4.42Å; W531-Y713 HydrophobicContact CZ2-CG 4.28Å; W531-Y713 HydrophobicContact CZ3-CD1 4.42Å; W531-Y713 HydrophobicContact CZ3-CD2 4.45Å; W531-Y713 AromaticContact CZ3-CG 3.94Å; W531-Y713 HydrophobicContact CZ3-CG 3.94Å; W531-Y713 AromaticContact NE1-CD1 3.94Å; W531-Y713 AromaticContact NE1-CE1 3.56Å; W531-Y713 AromaticContact NE1-CZ 3.81Å; S709-Y713 PolarHBondContact O-N 3.34Å; R710-Y713 PolarHBondContact O-N 3.28Å; Y713-N715 VanDerWaalsContact C-N 3.3Å; Y713-N715 PolarHBondContact O-N 3.37Å; Y713-G716 PolarHBondContact O-N 3.17Å; Y713-G716 VanDerWaalsContact O-N 3.16Å; Y713-R717 VanDerWaalsContact O-CB 3.28Å; Y713-R717 WeakPolarHBondContact O-CB 3.25Å; Y713-R717 PolarHBondContact O-N 3.49Å
714	E	86.9	Confident	81.7	Confident	57 Å²	57	66.1 Å²	66.1	27%	0.266	31%	0.307	S	S	.	.	H	α-helix	trans	-63.2	-37.2	-176.8	-57.8	-84	-165.1	0	0	111.1	R710 C718	R710-E714 HydrophobicContact CG-CG 3.97Å; R710-E714 IonicContact CZ-OE1 3.8Å; R710-E714 VanDerWaalsContact CZ-OE1 3.24Å; R710-E714 IonicContact NE-OE1 3.01Å; R710-E714 PolarHBondContact NE-OE1 3.17Å; R710-E714 IonicContact NH2-OE1 3.47Å; R710-E714 PolarHBondContact NH2-OE1 3.11Å; R710-E714 WeakPolarHBondContact O-CG 3.23Å; R710-E714 PolarHBondContact O-N 3.33Å; E714-C718 WeakPolarHBondContact O-CB 3.4Å; E714-C718 PolarHBondContact O-N 3.02Å; E714-C718 PolarHBondContact O-SG 3.29Å; E714-C718 VanDerWaalsContact O-SG 3.33Å
715	N	83.6	Confident	80.8	Confident	96 Å²	96	74.8 Å²	74.8	51%	0.513	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-49.3	173.3	-77	-10.3	0	0	0	111.6	R711 E712 Y713 R717 C718 L719	R711-N715 WeakPolarHBondContact O-CB 3.36Å; R711-N715 PolarHBondContact O-N 3.42Å; R711-N715 VanDerWaalsContact O-N 3.12Å; R711-N715 PolarHBondContact O-ND2 3.23Å; E712-N715 PolarHBondContact O-N 2.75Å; Y713-N715 VanDerWaalsContact C-N 3.3Å; Y713-N715 PolarHBondContact O-N 3.37Å; N715-R717 VanDerWaalsContact C-N 3.31Å; N715-R717 PolarHBondContact O-N 2.93Å; N715-C718 PolarHBondContact O-N 2.88Å; N715-L719 WeakPolarHBondContact O-CD1 3.33Å; N715-L719 WeakPolarHBondContact O-CG 3.48Å; N715-L719 PolarHBondContact O-N 3.08Å
716	G	83.7	Confident	79.4	Confident	3 Å²	3	77.1 Å²	77.1	3%	0.031	36%	0.362	C	S	.	.	H	α-helix	trans	-61	-40.9	178.8	0	0	0	0	0	112.1	E712 Y713 L719 L720	E712-G716 PolarHBondContact O-N 3.4Å; Y713-G716 PolarHBondContact O-N 3.17Å; Y713-G716 VanDerWaalsContact O-N 3.16Å; G716-L719 WeakPolarHBondContact O-CA 3.49Å; G716-L719 WeakPolarHBondContact O-CB 3.35Å; G716-L719 PolarHBondContact O-N 2.81Å; G716-L719 VanDerWaalsContact O-N 3.09Å; G716-L720 WeakPolarHBondContact O-CG 3.4Å; G716-L720 PolarHBondContact O-N 2.97Å
717	R	85	Confident	77.8	Confident	85 Å²	85	78.9 Å²	78.9	32%	0.321	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-45.2	173.9	-165.6	-175.7	-178.6	-122.9	-8.7	111.8	L524 L527 E528 Y713 N715 L719 L720 M721	L524-R717 HydrophobicContact CD1-CG 3.74Å; L527-R717 HydrophobicContact CD2-CB 4Å; E528-R717 IonicContact OE1-CZ 2.71Å; E528-R717 IonicContact OE1-NE 3.72Å; E528-R717 PolarHBondContact OE1-NE 3.49Å; E528-R717 IonicContact OE1-NH2 2.94Å; E528-R717 PolarHBondContact OE1-NH2 3.39Å; Y713-R717 VanDerWaalsContact O-CB 3.28Å; Y713-R717 WeakPolarHBondContact O-CB 3.25Å; Y713-R717 PolarHBondContact O-N 3.49Å; N715-R717 VanDerWaalsContact C-N 3.31Å; N715-R717 PolarHBondContact O-N 2.93Å; R717-L719 VanDerWaalsContact C-N 3.28Å; R717-L719 PolarHBondContact O-N 3.17Å; R717-L720 PolarHBondContact O-N 3.39Å; R717-M721 WeakPolarHBondContact O-CB 3.39Å; R717-M721 WeakPolarHBondContact O-CG 3.29Å; R717-M721 PolarHBondContact O-N 3.08Å
718	C	81.9	Confident	76	Confident	70 Å²	70	76 Å²	76	47%	0.473	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-27.2	173.1	-72.6	0	0	0	0	113.8	E714 N715	E714-C718 WeakPolarHBondContact O-CB 3.4Å; E714-C718 PolarHBondContact O-N 3.02Å; E714-C718 PolarHBondContact O-SG 3.29Å; E714-C718 VanDerWaalsContact O-SG 3.33Å; N715-C718 PolarHBondContact O-N 2.88Å
719	L	81.1	Confident	74.5	Confident	27 Å²	27	76.7 Å²	76.7	14%	0.141	37%	0.369	C	S	.	.	H	α-helix	trans	-74.4	-49.2	173.1	-76.7	152.1	0	0	0	111.3	G448 Y463 N715 G716 R717 M721 R722	G448-L719 WeakPolarHBondContact O-CD1 3.17Å; Y463-L719 HydrophobicContact CD1-CD2 4.26Å; N715-L719 WeakPolarHBondContact O-CD1 3.33Å; N715-L719 WeakPolarHBondContact O-CG 3.48Å; N715-L719 PolarHBondContact O-N 3.08Å; G716-L719 WeakPolarHBondContact O-CA 3.49Å; G716-L719 WeakPolarHBondContact O-CB 3.35Å; G716-L719 PolarHBondContact O-N 2.81Å; G716-L719 VanDerWaalsContact O-N 3.09Å; R717-L719 VanDerWaalsContact C-N 3.28Å; R717-L719 PolarHBondContact O-N 3.17Å; L719-M721 VanDerWaalsContact C-N 3.32Å; L719-M721 PolarHBondContact O-N 3.4Å; L719-R722 WeakPolarHBondContact O-CA 3.42Å; L719-R722 VanDerWaalsContact O-CB 3.23Å; L719-R722 WeakPolarHBondContact O-CB 3.48Å; L719-R722 PolarHBondContact O-N 3.09Å
720	L	82.8	Confident	72.8	Confident	1 Å²	1	81.4 Å²	81.4	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-69.8	-27	-180	-61.6	-172.9	0	0	0	112.9	C465 F521 R523 L524 L527 G716 R717 R722 N723	C465-L720 HydrophobicContact CB-CG 4.49Å; F521-L720 HydrophobicContact CB-CD1 3.94Å; R523-L720 WeakPolarHBondContact O-CD1 3.31Å; L524-L720 HydrophobicContact CB-CB 4.21Å; L524-L720 HydrophobicContact CD1-CB 3.99Å; L527-L720 HydrophobicContact CB-CD1 4.06Å; L527-L720 HydrophobicContact CD2-CD1 3.85Å; G716-L720 WeakPolarHBondContact O-CG 3.4Å; G716-L720 PolarHBondContact O-N 2.97Å; R717-L720 PolarHBondContact O-N 3.39Å; L720-R722 PolarHBondContact O-N 3.44Å; L720-R722 VanDerWaalsContact O-N 3.17Å; L720-N723 WeakPolarHBondContact O-CB 3.28Å; L720-N723 PolarHBondContact O-N 3.37Å
721	M	80.2	Confident	70.9	Confident	71 Å²	71	78.4 Å²	78.4	35%	0.35	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.5	166.1	-80	-150.6	-61.4	0	0	113.9	L524 R717 L719	L524-M721 HydrophobicContact CD1-CG 4.14Å; L524-M721 HydrophobicContact CD2-CG 3.79Å; R717-M721 WeakPolarHBondContact O-CB 3.39Å; R717-M721 WeakPolarHBondContact O-CG 3.29Å; R717-M721 PolarHBondContact O-N 3.08Å; L719-M721 VanDerWaalsContact C-N 3.32Å; L719-M721 PolarHBondContact O-N 3.4Å
722	R	72.6	Confident	69.5	Low	114 Å²	114	72.9 Å²	72.9	43%	0.43	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-23.7	168.4	-61.2	-175.2	173.4	110.2	-1.3	112.8	Y463 L719 L720 L724 R725 I727	Y463-R722 HydrophobicContact CD2-CB 3.62Å; Y463-R722 HydrophobicContact CE2-CB 3.57Å; Y463-R722 HydrophobicContact CE2-CG 4.42Å; L719-R722 WeakPolarHBondContact O-CA 3.42Å; L719-R722 VanDerWaalsContact O-CB 3.23Å; L719-R722 WeakPolarHBondContact O-CB 3.48Å; L719-R722 PolarHBondContact O-N 3.09Å; L720-R722 PolarHBondContact O-N 3.44Å; L720-R722 VanDerWaalsContact O-N 3.17Å; R722-L724 PolarHBondContact O-N 3.14Å; R722-R725 CarbonylContact O-C 3.59Å; R722-R725 PolarHBondContact O-N 3Å; R722-I727 HydrophobicContact CB-CD1 4.22Å; R722-I727 HydrophobicContact CG-CD1 4.41Å
723	N	70.9	Confident	68.2	Low	53 Å²	53	74.9 Å²	74.9	28%	0.283	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-31.1	172.8	-66.1	-8	0	0	0	111.4	Y463 T522 L720 R725	Y463-N723 WeakPolarHBondContact CA-OD1 3.31Å; Y463-N723 WeakPolarHBondContact CB-OD1 3.45Å; Y463-N723 WeakPolarHBondContact CD2-OD1 3.44Å; Y463-N723 PolarHBondContact N-OD1 3.4Å; Y463-N723 PolarHBondContact O-ND2 3.39Å; Y463-N723 PolarHBondContact O-OD1 3.06Å; T522-N723 PolarHBondContact O-ND2 2.93Å; L720-N723 WeakPolarHBondContact O-CB 3.28Å; L720-N723 PolarHBondContact O-N 3.37Å; N723-R725 PolarHBondContact O-N 3.28Å
724	L	68.5	Low	66.8	Low	127 Å²	127	78 Å²	78	67%	0.665	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-1.2	176.2	-57.7	-178.5	0	0	0	113.9	L524 R722	L524-L724 HydrophobicContact CD2-CD1 3.6Å; R722-L724 PolarHBondContact O-N 3.14Å
725	R	61.2	Low	65.1	Low	182 Å²	182	79 Å²	79	69%	0.687	42%	0.421	S	S	*	.	S	Bend	trans	-125.4	109	176.8	-63.2	-178.5	-176.5	-162.3	-0.9	107.4	R722 N723 I727	R722-R725 CarbonylContact O-C 3.59Å; R722-R725 PolarHBondContact O-N 3Å; N723-R725 PolarHBondContact O-N 3.28Å; R725-I727 VanDerWaalsContact C-N 3.32Å; R725-I727 PolarHBondContact O-N 2.91Å
726	S	52.2	Low	63.6	Low	117 Å²	117	76.7 Å²	76.7	82%	0.818	42%	0.416	S	S	*	.			trans	-60	92.9	176.3	38.4	0	0	0	0	110.8	P728	S726-P728 VanDerWaalsContact O-CD 3.31Å; S726-P728 WeakPolarHBondContact O-CD 3.47Å
727	I	50.3	Low	62.1	Low	69 Å²	69	80.5 Å²	80.5	35%	0.354	44%	0.442	S	S	.	.			trans	-80.3	112.2	167.4	-62.5	175	0	0	0	105.5	Y463 R722 R725	Y463-I727 HydrophobicContact CE2-CD1 4.26Å; R722-I727 HydrophobicContact CB-CD1 4.22Å; R722-I727 HydrophobicContact CG-CD1 4.41Å; R725-I727 VanDerWaalsContact C-N 3.32Å; R725-I727 PolarHBondContact O-N 2.91Å
728	P	47.6	Very low	60.6	Low	62 Å²	62	80.7 Å²	80.7	40%	0.403	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-58.6	143.2	174.4	-19.7	32.9	0	0	0	109.1	S726 Q732 L733	S726-P728 VanDerWaalsContact O-CD 3.31Å; S726-P728 WeakPolarHBondContact O-CD 3.47Å; P728-Q732 HydrophobicContact CB-CB 3.93Å; P728-L733 HydrophobicContact CB-CG 4.47Å
729	S	54	Low	59.2	Low	19 Å²	19	84.4 Å²	84.4	13%	0.133	47%	0.471	C	S	.	.			trans	-49.9	148.2	173.7	59.7	0	0	0	0	111	S459 C731 Q732 L733	S459-S729 WeakPolarHBondContact O-CB 3.5Å; S459-S729 PolarHBondContact O-N 2.73Å; S729-C731 PolarHBondContact O-N 2.75Å; S729-C731 VanDerWaalsContact O-N 3.08Å; S729-Q732 WeakPolarHBondContact O-CA 3.36Å; S729-Q732 WeakPolarHBondContact O-CB 3.36Å; S729-Q732 PolarHBondContact O-N 3.31Å; S729-Q732 WeakPolarHBondContact OG-CG 3.49Å; S729-Q732 PolarHBondContact OG-N 2.86Å; S729-Q732 PolarHBondContact OG-OE1 3.41Å; S729-L733 PolarHBondContact O-N 2.98Å; S729-L733 VanDerWaalsContact O-N 3.08Å
730	L	49.8	Very low	57.4	Low	131 Å²	131	89.8 Å²	89.8	69%	0.686	50%	0.499	S	S	*	.	H	α-helix	trans	-58.1	-28.7	178.2	-167.4	146.1	0	0	0	111.3	L733 V734	L730-L733 PolarHBondContact O-N 3.49Å; L730-V734 HydrophobicContact CD2-CG2 3.85Å; L730-V734 WeakPolarHBondContact O-CB 3.48Å; L730-V734 VanDerWaalsContact O-CG2 3.31Å; L730-V734 WeakPolarHBondContact O-CG2 3.31Å; L730-V734 PolarHBondContact O-N 3.27Å
731	C	46.4	Very low	55.4	Low	94 Å²	94	95.6 Å²	95.6	64%	0.635	54%	0.535	S	S	*	.	H	α-helix	trans	-59.1	-48.3	169.3	-57	0	0	0	0	112.9	S729 L733 V734 S735	S729-C731 PolarHBondContact O-N 2.75Å; S729-C731 VanDerWaalsContact O-N 3.08Å; C731-L733 PolarHBondContact O-N 2.95Å; C731-V734 PolarHBondContact O-N 3.01Å; C731-S735 PolarHBondContact O-N 3.36Å; C731-S735 PolarHBondContact O-OG 3.39Å
732	Q	51.1	Low	53.6	Low	80 Å²	80	97.8 Å²	97.8	37%	0.374	55%	0.554	S	S	.	*	H	α-helix	trans	-63.9	-38.8	175.7	-78.6	161.2	-38.1	0	0	112.6	S459 P728 S729 V734 S735 A736	S459-Q732 VanDerWaalsContact CB-CD 3.46Å; S459-Q732 VanDerWaalsContact CB-NE2 3.25Å; S459-Q732 VanDerWaalsContact CB-OE1 3.31Å; S459-Q732 PolarHBondContact OG-NE2 3.25Å; S459-Q732 PolarHBondContact OG-OE1 2.85Å; P728-Q732 HydrophobicContact CB-CB 3.93Å; S729-Q732 WeakPolarHBondContact O-CA 3.36Å; S729-Q732 WeakPolarHBondContact O-CB 3.36Å; S729-Q732 PolarHBondContact O-N 3.31Å; S729-Q732 WeakPolarHBondContact OG-CG 3.49Å; S729-Q732 PolarHBondContact OG-N 2.86Å; S729-Q732 PolarHBondContact OG-OE1 3.41Å; Q732-V734 VanDerWaalsContact C-N 3.35Å; Q732-S735 PolarHBondContact O-N 2.76Å; Q732-A736 VanDerWaalsContact O-CB 3.3Å; Q732-A736 WeakPolarHBondContact O-CB 3.44Å; Q732-A736 PolarHBondContact O-N 3.37Å
733	L	56.1	Low	51.8	Low	100 Å²	100	100 Å²	100	52%	0.524	58%	0.575	S	S	.	*	H	α-helix	trans	-65.4	-37.8	175	-81.5	164.7	0	0	0	112	P728 S729 L730 C731 S737	P728-L733 HydrophobicContact CB-CG 4.47Å; S729-L733 PolarHBondContact O-N 2.98Å; S729-L733 VanDerWaalsContact O-N 3.08Å; L730-L733 PolarHBondContact O-N 3.49Å; C731-L733 PolarHBondContact O-N 2.95Å; L733-S737 WeakPolarHBondContact O-CB 3.46Å; L733-S737 PolarHBondContact O-N 2.85Å
734	V	56.8	Low	50.4	Low	81 Å²	81	104.4 Å²	104.4	49%	0.491	60%	0.603	S	S	.	*	H	α-helix	trans	-66.9	-46.6	172.8	168.7	0	0	0	0	111.1	L730 C731 Q732 A736 S737 S738	L730-V734 HydrophobicContact CD2-CG2 3.85Å; L730-V734 WeakPolarHBondContact O-CB 3.48Å; L730-V734 VanDerWaalsContact O-CG2 3.31Å; L730-V734 WeakPolarHBondContact O-CG2 3.31Å; L730-V734 PolarHBondContact O-N 3.27Å; C731-V734 PolarHBondContact O-N 3.01Å; Q732-V734 VanDerWaalsContact C-N 3.35Å; V734-A736 VanDerWaalsContact C-N 3.32Å; V734-A736 PolarHBondContact O-N 3.04Å; V734-S737 WeakPolarHBondContact O-CA 3.41Å; V734-S737 WeakPolarHBondContact O-CB 3.29Å; V734-S737 PolarHBondContact O-N 3.15Å; V734-S737 VanDerWaalsContact O-N 3.09Å; V734-S738 PolarHBondContact O-N 3.09Å; V734-S738 PolarHBondContact O-OG 3.14Å
735	S	52.5	Low	48.7	Very low	76 Å²	76	102.9 Å²	102.9	53%	0.531	61%	0.609	S	S	.	*	H	α-helix	trans	-62.1	-36.5	176.5	-63	0	0	0	0	113	C731 Q732 S738	C731-S735 PolarHBondContact O-N 3.36Å; C731-S735 PolarHBondContact O-OG 3.39Å; Q732-S735 PolarHBondContact O-N 2.76Å; S735-S738 WeakPolarHBondContact O-CB 3.3Å; S735-S738 PolarHBondContact O-N 3.29Å
736	A	50.7	Low	47.8	Very low	48 Å²	48	100.1 Å²	100.1	40%	0.397	61%	0.612	S	S	.	*	H	α-helix	trans	-69.4	-37	172.4	0	0	0	0	0	111.9	Q732 V734 S738 L739	Q732-A736 VanDerWaalsContact O-CB 3.3Å; Q732-A736 WeakPolarHBondContact O-CB 3.44Å; Q732-A736 PolarHBondContact O-N 3.37Å; V734-A736 VanDerWaalsContact C-N 3.32Å; V734-A736 PolarHBondContact O-N 3.04Å; A736-S738 PolarHBondContact O-N 3.14Å; A736-L739 PolarHBondContact O-N 3.21Å; A736-L739 VanDerWaalsContact O-N 3.14Å
737	S	51.9	Low	47.1	Very low	84 Å²	84	101.3 Å²	101.3	59%	0.587	61%	0.61	S	S	*	*	H	α-helix	trans	-64.3	-27.9	173.6	-170.1	0	0	0	0	112.8	L733 V734 L739 L740	L733-S737 WeakPolarHBondContact O-CB 3.46Å; L733-S737 PolarHBondContact O-N 2.85Å; V734-S737 WeakPolarHBondContact O-CA 3.41Å; V734-S737 WeakPolarHBondContact O-CB 3.29Å; V734-S737 PolarHBondContact O-N 3.15Å; V734-S737 VanDerWaalsContact O-N 3.09Å; S737-L739 PolarHBondContact O-N 3.38Å; S737-L740 PolarHBondContact O-N 3.37Å
738	S	53.7	Low	46.7	Very low	88 Å²	88	103.5 Å²	103.5	62%	0.615	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-16.6	174.3	-54.2	0	0	0	0	113.9	V734 S735 A736	V734-S738 PolarHBondContact O-N 3.09Å; V734-S738 PolarHBondContact O-OG 3.14Å; S735-S738 WeakPolarHBondContact O-CB 3.3Å; S735-S738 PolarHBondContact O-N 3.29Å; A736-S738 PolarHBondContact O-N 3.14Å
739	L	52.2	Low	46.3	Very low	148 Å²	148	106.7 Å²	106.7	78%	0.775	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	2.9	179.3	-71.7	161.6	0	0	0	113.1	A736 S737	A736-L739 PolarHBondContact O-N 3.21Å; A736-L739 VanDerWaalsContact O-N 3.14Å; S737-L739 PolarHBondContact O-N 3.38Å
740	L	44.6	Very low	45.6	Very low	141 Å²	141	110.2 Å²	110.2	74%	0.738	67%	0.674	S	S	*	*			trans	-125.5	56.1	-173.9	-72.8	168.1	0	0	0	111.8	S737	S737-L740 PolarHBondContact O-N 3.37Å
741	T	41	Very low	45.2	Very low	123 Å²	123	110.2 Å²	110.2	76%	0.755	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-79.9	123.2	164	48.1	0	0	0	0	110
742	P	40.9	Very low	45	Very low	116 Å²	116	111.6 Å²	111.6	75%	0.753	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-74.1	164.6	179.1	31.9	-35.8	0	0	0	112.7
743	D	35.5	Very low	45.1	Very low	162 Å²	162	117.1 Å²	117.1	87%	0.866	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-56.6	150.8	-166.2	-58	-82.7	0	0	0	116.6
744	T	40.7	Very low	44.6	Very low	144 Å²	144	118 Å²	118	88%	0.883	74%	0.738	S	S	*	*			trans	-143.8	114.1	148.8	-40	0	0	0	0	109
745	A	34.4	Very low	43.9	Very low	95 Å²	95	119.9 Å²	119.9	79%	0.785	75%	0.751	S	S	*	*			trans	-85.5	138	-174.5	0	0	0	0	0	112.6
746	V	42.4	Very low	43.4	Very low	125 Å²	125	122.3 Å²	122.3	76%	0.758	76%	0.763	S	S	*	*			trans	-148.1	108.1	156.7	178.2	0	0	0	0	111.1
747	N	37.9	Very low	43	Very low	142 Å²	142	126.7 Å²	126.7	76%	0.759	79%	0.785	S	S	*	*			trans	50.9	148.1	143.9	-56	-14.4	0	0	0	124.4
748	S	40.6	Very low	42.5	Very low	115 Å²	115	129.4 Å²	129.4	80%	0.804	80%	0.797	S	S	*	*			trans	75.6	146.2	155.2	71.9	0	0	0	0	119.8
749	V	39	Very low	41.7	Very low	128 Å²	128	132.1 Å²	132.1	78%	0.776	81%	0.809	S	S	*	*			cis	-172.7	144.2	-45	127.7	0	0	0	0	108
750	S	38.8	Very low	41	Very low	94 Å²	94	131 Å²	131	66%	0.657	81%	0.811	S	S	*	*			trans	57.9	114.4	170.9	52.2	0	0	0	0	119.1
751	T	41.3	Very low	40.7	Very low	130 Å²	130	130.2 Å²	130.2	80%	0.798	82%	0.817	S	S	*	*				60.3	134.1	99	2.9	0	0	0	0	114.8
752	T	44	Very low	40.7	Very low	124 Å²	124	130.8 Å²	130.8	76%	0.761	82%	0.822	S	S	*	*			cis	-154.8	172.4	28.6	52.6	0	0	0	0	111.6
753	P	52.6	Low	40.7	Very low	195 Å²	195	132.2 Å²	132.2	100%	1.266	83%	0.829	S	S	*	*			cis	-109.2	0	-16.4	39.2	-29.5	0	0	0	113.5

Retrieved 753 of 753 residues in 138.3 ms (Link to these results)

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