A0A096MPP3_PAPAN Loading...

cyclin-dependent kinase

AlphaFold DB , UniProt , Accession A0A096MPP3, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 795 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	45.3	Very low	46.3	Very low	257 Å²	257	164.4 Å²	164.4	100%	1.266	84%	0.838	S	S	*	*				0	140.6	0	-70.9	178	174.3	0	0	107.6
2	G	35.2	Very low	49.2	Very low	77 Å²	77	157.3 Å²	157.3	79%	0.794	81%	0.809	S	S	*	*			trans	142.1	47.6	-174.2	0	0	0	0	0	112.5
3	D	43.1	Very low	50.1	Low	150 Å²	150	155.1 Å²	155.1	80%	0.802	80%	0.798	S	S	*	*			trans	-81	121.9	166.9	-78.8	-35.1	0	0	0	108.5
4	E	41.3	Very low	51.6	Low	199 Å²	199	151.6 Å²	151.6	93%	0.93	78%	0.782	S	S	*	*			trans	-115.9	118.5	157.3	-69.7	-165.6	139.9	0	0	108.2
5	K	45	Very low	53.2	Low	182 Å²	182	147.7 Å²	147.7	79%	0.791	76%	0.759	S	S	*	*			trans	-102	115.1	179.4	-71	-179.3	178.5	176.4	0	109.4	S7	K5-S7 PolarHBondContact O-N 2.99Å
6	D	45.5	Very low	54.8	Low	156 Å²	156	143.6 Å²	143.6	83%	0.834	74%	0.738	S	S	*	*			trans	-62.3	110.1	169.2	-87.9	-44.6	0	0	0	110.6	W8	D6-W8 PolarHBondContact O-N 3.07Å
7	S	38.2	Very low	55.9	Low	107 Å²	107	140.6 Å²	140.6	75%	0.748	72%	0.723	S	S	*	*			trans	-84.8	98.7	-178.3	-174	0	0	0	0	110.6	K5 K9	K5-S7 PolarHBondContact O-N 2.99Å; S7-K9 PolarHBondContact O-N 3.35Å
8	W	43.4	Very low	56.8	Low	233 Å²	233	140.4 Å²	140.4	88%	0.883	72%	0.719	S	S	*	*			trans	-63.8	101.6	173.1	-70.1	82.4	0	0	0	110.5	D6 V10	D6-W8 PolarHBondContact O-N 3.07Å; W8-V10 PolarHBondContact O-N 2.9Å
9	K	50.1	Low	58.1	Low	196 Å²	196	136.8 Å²	136.8	85%	0.852	70%	0.698	S	S	*	*			trans	-68.4	103.1	174.4	-72.4	-171.5	176.3	-176.3	0	110.6	S7 K11	S7-K9 PolarHBondContact O-N 3.35Å; K9-K11 PolarHBondContact O-N 3.07Å
10	V	51.8	Low	59.2	Low	133 Å²	133	137.3 Å²	137.3	81%	0.806	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-64.7	126.2	166.7	-178.1	0	0	0	0	108.4	W8	W8-V10 PolarHBondContact O-N 2.9Å
11	K	70.4	Confident	60.3	Low	118 Å²	118	137.2 Å²	137.2	51%	0.513	69%	0.69	S	S	.	*	P	Polyproline II helix	trans	-67	143.6	174.7	-72.3	-168.8	175.4	-166.4	0	110.9	K9 E15 I16	K9-K11 PolarHBondContact O-N 3.07Å; K11-E15 WeakPolarHBondContact CA-OE2 3.41Å; K11-E15 HydrophobicContact CB-CB 4.33Å; K11-E15 WeakPolarHBondContact CB-OE2 3.3Å; K11-I16 HydrophobicContact CB-CD1 4.43Å; K11-I16 HydrophobicContact CB-CG1 4.2Å
12	T	80.7	Confident	62.1	Low	80 Å²	80	130.3 Å²	130.3	49%	0.491	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-72.5	161.1	175.7	71.2	0	0	0	0	111.2	D14 E15 I16	T12-D14 PolarHBondContact O-N 2.8Å; T12-E15 PolarHBondContact N-OE2 2.91Å; T12-E15 PolarHBondContact O-N 2.8Å; T12-E15 WeakPolarHBondContact OG1-CG 3.32Å; T12-E15 PolarHBondContact OG1-N 3.28Å; T12-I16 WeakPolarHBondContact O-CG1 3.46Å; T12-I16 PolarHBondContact O-N 2.83Å
13	L	61.6	Low	64.1	Low	128 Å²	128	134.7 Å²	134.7	67%	0.67	64%	0.643	S	S	*	*	H	α-helix	trans	-59.2	-37.5	178.1	-172.5	62.2	0	0	0	111.6	I16 L17	L13-I16 PolarHBondContact O-N 2.85Å; L13-L17 HydrophobicContact CG-CD1 4.13Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.38Å; L13-L17 PolarHBondContact O-N 3.04Å
14	D	71.1	Confident	65.9	Low	106 Å²	106	134.5 Å²	134.5	57%	0.567	64%	0.635	S	S	*	*	H	α-helix	trans	-66.9	-39.1	177.5	-68.5	-31.6	0	0	0	113	T12 I16 L17 Q18	T12-D14 PolarHBondContact O-N 2.8Å; D14-I16 VanDerWaalsContact C-N 3.26Å; D14-I16 PolarHBondContact O-N 3.01Å; D14-L17 PolarHBondContact O-N 3.22Å; D14-Q18 WeakPolarHBondContact O-CB 3.19Å; D14-Q18 VanDerWaalsContact O-CG 3.3Å; D14-Q18 WeakPolarHBondContact O-CG 3.41Å; D14-Q18 PolarHBondContact O-N 3.32Å
15	E	75.4	Confident	67.8	Low	94 Å²	94	128.9 Å²	128.9	44%	0.439	61%	0.608	S	S	.	*	H	α-helix	trans	-61.5	-37.6	173.6	-71.1	177.3	127.3	0	0	111.5	K11 T12 E19	K11-E15 WeakPolarHBondContact CA-OE2 3.41Å; K11-E15 HydrophobicContact CB-CB 4.33Å; K11-E15 WeakPolarHBondContact CB-OE2 3.3Å; T12-E15 PolarHBondContact N-OE2 2.91Å; T12-E15 PolarHBondContact O-N 2.8Å; T12-E15 WeakPolarHBondContact OG1-CG 3.32Å; T12-E15 PolarHBondContact OG1-N 3.28Å; E15-E19 WeakPolarHBondContact O-CB 3.47Å; E15-E19 PolarHBondContact O-N 3.46Å
16	I	78.6	Confident	69.2	Low	82 Å²	82	125.5 Å²	125.5	42%	0.421	60%	0.596	S	S	.	*	H	α-helix	trans	-70.6	-39.5	177.3	-63.7	168.3	0	0	0	111	K11 T12 L13 D14 K20	K11-I16 HydrophobicContact CB-CD1 4.43Å; K11-I16 HydrophobicContact CB-CG1 4.2Å; T12-I16 WeakPolarHBondContact O-CG1 3.46Å; T12-I16 PolarHBondContact O-N 2.83Å; L13-I16 PolarHBondContact O-N 2.85Å; D14-I16 VanDerWaalsContact C-N 3.26Å; D14-I16 PolarHBondContact O-N 3.01Å; I16-K20 PolarHBondContact O-N 3.38Å
17	L	73.6	Confident	70.7	Confident	92 Å²	92	124.7 Å²	124.7	48%	0.482	59%	0.587	S	S	.	*	H	α-helix	trans	-69.1	-40.4	176.3	-71.4	170.7	0	0	0	112.1	L13 D14 K20 K21	L13-L17 HydrophobicContact CG-CD1 4.13Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.38Å; L13-L17 PolarHBondContact O-N 3.04Å; D14-L17 PolarHBondContact O-N 3.22Å; L17-K20 PolarHBondContact O-N 3.23Å; L17-K21 PolarHBondContact O-N 2.92Å
18	Q	72.9	Confident	72.7	Confident	138 Å²	138	124.8 Å²	124.8	65%	0.645	58%	0.575	S	S	*	*	H	α-helix	trans	-64.6	-43.8	175.1	-73.1	-178.6	20	0	0	111.7	D14 K20 K21 R22	D14-Q18 WeakPolarHBondContact O-CB 3.19Å; D14-Q18 VanDerWaalsContact O-CG 3.3Å; D14-Q18 WeakPolarHBondContact O-CG 3.41Å; D14-Q18 PolarHBondContact O-N 3.32Å; Q18-K20 VanDerWaalsContact C-N 3.35Å; Q18-K20 PolarHBondContact O-N 2.72Å; Q18-K21 PolarHBondContact O-N 3.26Å; Q18-R22 WeakPolarHBondContact O-CB 3.46Å; Q18-R22 PolarHBondContact O-N 3.27Å
19	E	81.3	Confident	74.4	Confident	72 Å²	72	121 Å²	121	34%	0.336	57%	0.565	S	S	.	*	H	α-helix	trans	-63.7	-38.9	175	-169.9	73.8	-104.1	0	0	111.8	E15 R22 R23	E15-E19 WeakPolarHBondContact O-CB 3.47Å; E15-E19 PolarHBondContact O-N 3.46Å; E19-R22 PolarHBondContact O-N 2.85Å; E19-R22 IonicContact OE1-CZ 3.01Å; E19-R22 VanDerWaalsContact OE1-CZ 3.23Å; E19-R22 IonicContact OE1-NE 3.21Å; E19-R22 PolarHBondContact OE1-NE 3.38Å; E19-R22 IonicContact OE1-NH2 2.72Å; E19-R22 PolarHBondContact OE1-NH2 3.06Å; E19-R23 WeakPolarHBondContact O-CG 3.47Å; E19-R23 PolarHBondContact O-N 3.36Å
20	K	79.6	Confident	75.6	Confident	145 Å²	145	114.1 Å²	114.1	63%	0.63	55%	0.545	S	S	*	.	H	α-helix	trans	-60.5	-46.2	172	-89	-172.9	172.6	-177.4	0	112.1	I16 L17 Q18 R23 K24	I16-K20 PolarHBondContact O-N 3.38Å; L17-K20 PolarHBondContact O-N 3.23Å; Q18-K20 VanDerWaalsContact C-N 3.35Å; Q18-K20 PolarHBondContact O-N 2.72Å; K20-R23 PolarHBondContact O-N 2.84Å; K20-K24 PolarHBondContact O-N 3.36Å; K20-K24 VanDerWaalsContact O-N 3.1Å
21	K	83.3	Confident	76.6	Confident	137 Å²	137	114 Å²	114	60%	0.596	54%	0.536	S	S	*	.	H	α-helix	trans	-60.9	-48.2	177.4	-166.4	-169.1	-178.2	-155.5	0	111	L17 Q18 R23 K24 E25	L17-K21 PolarHBondContact O-N 2.92Å; Q18-K21 PolarHBondContact O-N 3.26Å; K21-R23 VanDerWaalsContact C-N 3.28Å; K21-R23 PolarHBondContact O-N 2.82Å; K21-K24 PolarHBondContact O-N 2.67Å; K21-K24 VanDerWaalsContact O-N 3.11Å; K21-E25 WeakPolarHBondContact CE-OE1 3.09Å; K21-E25 IonicContact NZ-OE1 3.26Å; K21-E25 PolarHBondContact NZ-OE1 2.82Å; K21-E25 PolarHBondContact O-N 3.01Å
22	R	82.3	Confident	76.8	Confident	112 Å²	112	113 Å²	113	42%	0.423	54%	0.535	S	S	.	.	H	α-helix	trans	-61.5	-32.4	179.6	-158.3	-165.7	66.2	64.2	8.1	112.8	Q18 E19 Q26	Q18-R22 WeakPolarHBondContact O-CB 3.46Å; Q18-R22 PolarHBondContact O-N 3.27Å; E19-R22 PolarHBondContact O-N 2.85Å; E19-R22 IonicContact OE1-CZ 3.01Å; E19-R22 VanDerWaalsContact OE1-CZ 3.23Å; E19-R22 IonicContact OE1-NE 3.21Å; E19-R22 PolarHBondContact OE1-NE 3.38Å; E19-R22 IonicContact OE1-NH2 2.72Å; E19-R22 PolarHBondContact OE1-NH2 3.06Å; R22-Q26 WeakPolarHBondContact O-CG 3.4Å; R22-Q26 PolarHBondContact O-N 3.43Å
23	R	76.6	Confident	76.3	Confident	168 Å²	168	116.3 Å²	116.3	63%	0.634	54%	0.542	S	S	*	.	H	α-helix	trans	-68.4	-47.8	170.6	-80	-174.5	172	-147.2	-1.3	112.4	E19 K20 K21 E25 Q26 E27	E19-R23 WeakPolarHBondContact O-CG 3.47Å; E19-R23 PolarHBondContact O-N 3.36Å; K20-R23 PolarHBondContact O-N 2.84Å; K21-R23 VanDerWaalsContact C-N 3.28Å; K21-R23 PolarHBondContact O-N 2.82Å; R23-E25 VanDerWaalsContact C-N 3.31Å; R23-E25 PolarHBondContact O-N 2.72Å; R23-Q26 WeakPolarHBondContact O-CA 3.06Å; R23-Q26 WeakPolarHBondContact O-CB 3.29Å; R23-Q26 PolarHBondContact O-N 2.91Å; R23-E27 PolarHBondContact O-N 3.04Å
24	K	82.1	Confident	76.6	Confident	147 Å²	147	119.7 Å²	119.7	64%	0.639	55%	0.546	S	S	*	.	H	α-helix	trans	-58.2	-44.1	179.5	-166.3	-175.9	179.1	-168.7	0	111.8	K20 K21 Q26 E27 E28	K20-K24 PolarHBondContact O-N 3.36Å; K20-K24 VanDerWaalsContact O-N 3.1Å; K21-K24 PolarHBondContact O-N 2.67Å; K21-K24 VanDerWaalsContact O-N 3.11Å; K24-Q26 PolarHBondContact O-N 3.25Å; K24-E27 PolarHBondContact O-N 3.35Å; K24-E28 WeakPolarHBondContact O-CB 3.5Å; K24-E28 PolarHBondContact O-N 3.35Å
25	E	81.3	Confident	76.2	Confident	80 Å²	80	119.6 Å²	119.6	37%	0.374	55%	0.545	S	S	.	.	H	α-helix	trans	-63.1	-21.8	175	-68.6	174.8	-165.1	0	0	113.6	K21 R23 K29	K21-E25 WeakPolarHBondContact CE-OE1 3.09Å; K21-E25 IonicContact NZ-OE1 3.26Å; K21-E25 PolarHBondContact NZ-OE1 2.82Å; K21-E25 PolarHBondContact O-N 3.01Å; R23-E25 VanDerWaalsContact C-N 3.31Å; R23-E25 PolarHBondContact O-N 2.72Å; E25-K29 WeakPolarHBondContact O-CD 3.49Å; E25-K29 WeakPolarHBondContact O-CG 3.42Å
26	Q	74.3	Confident	75.5	Confident	112 Å²	112	122.2 Å²	122.2	52%	0.523	56%	0.555	S	S	.	*	H	α-helix	trans	-85.6	-33.8	173.8	-74.4	-172	-56.2	0	0	112.8	R22 R23 K24 A30	R22-Q26 WeakPolarHBondContact O-CG 3.4Å; R22-Q26 PolarHBondContact O-N 3.43Å; R23-Q26 WeakPolarHBondContact O-CA 3.06Å; R23-Q26 WeakPolarHBondContact O-CB 3.29Å; R23-Q26 PolarHBondContact O-N 2.91Å; K24-Q26 PolarHBondContact O-N 3.25Å; Q26-A30 WeakPolarHBondContact O-CB 3.34Å; Q26-A30 PolarHBondContact O-N 3.1Å; Q26-A30 VanDerWaalsContact O-N 3.13Å
27	E	76.7	Confident	74.3	Confident	139 Å²	139	122.9 Å²	122.9	65%	0.65	56%	0.56	S	S	*	*	H	α-helix	trans	-68.3	-46.8	174.1	-69.7	177.5	130.9	0	0	111	R23 K24 K29 A30 E31	R23-E27 PolarHBondContact O-N 3.04Å; K24-E27 PolarHBondContact O-N 3.35Å; E27-K29 VanDerWaalsContact C-N 3.34Å; E27-K29 PolarHBondContact O-N 3.47Å; E27-A30 CarbonylContact O-C 3.39Å; E27-A30 WeakPolarHBondContact O-CA 3.08Å; E27-A30 WeakPolarHBondContact O-CB 3.44Å; E27-A30 PolarHBondContact O-N 2.97Å; E27-E31 PolarHBondContact O-N 2.7Å
28	E	79.4	Confident	73.2	Confident	109 Å²	109	120.9 Å²	120.9	51%	0.509	55%	0.553	S	S	.	*	H	α-helix	trans	-58.6	-42.8	177.2	-170.7	173.8	173.8	0	0	112	K24 A30 E31 I32	K24-E28 WeakPolarHBondContact O-CB 3.5Å; K24-E28 PolarHBondContact O-N 3.35Å; E28-A30 VanDerWaalsContact C-N 3.31Å; E28-A30 PolarHBondContact O-N 3.45Å; E28-E31 PolarHBondContact O-N 2.94Å; E28-I32 HydrophobicContact CG-CD1 4.38Å; E28-I32 WeakPolarHBondContact O-CG1 3.26Å; E28-I32 PolarHBondContact O-N 3.41Å
29	K	80.3	Confident	72.1	Confident	152 Å²	152	119.3 Å²	119.3	66%	0.661	55%	0.549	S	S	*	.	H	α-helix	trans	-67.4	-26.4	172.9	-78.8	175.2	178.5	164.4	0	113.8	E25 E27 K33	E25-K29 WeakPolarHBondContact O-CD 3.49Å; E25-K29 WeakPolarHBondContact O-CG 3.42Å; E27-K29 VanDerWaalsContact C-N 3.34Å; E27-K29 PolarHBondContact O-N 3.47Å; K29-K33 WeakPolarHBondContact O-CB 3.39Å; K29-K33 PolarHBondContact O-N 2.72Å
30	A	74.1	Confident	70.6	Confident	53 Å²	53	121.6 Å²	121.6	44%	0.438	56%	0.564	S	S	.	*	H	α-helix	trans	-77.9	-33.1	174.1	0	0	0	0	0	111.9	Q26 E27 E28 K33 R34	Q26-A30 WeakPolarHBondContact O-CB 3.34Å; Q26-A30 PolarHBondContact O-N 3.1Å; Q26-A30 VanDerWaalsContact O-N 3.13Å; E27-A30 CarbonylContact O-C 3.39Å; E27-A30 WeakPolarHBondContact O-CA 3.08Å; E27-A30 WeakPolarHBondContact O-CB 3.44Å; E27-A30 PolarHBondContact O-N 2.97Å; E28-A30 VanDerWaalsContact C-N 3.31Å; E28-A30 PolarHBondContact O-N 3.45Å; A30-K33 PolarHBondContact O-N 3.4Å; A30-R34 WeakPolarHBondContact O-CG 3.25Å; A30-R34 PolarHBondContact O-N 2.89Å; A30-R34 VanDerWaalsContact O-N 3.11Å
31	E	73.9	Confident	68.9	Low	131 Å²	131	124 Å²	124	61%	0.612	57%	0.569	S	S	*	*	H	α-helix	trans	-71.7	-47.5	178.1	-171.6	153	-125.2	0	0	112.2	E27 E28 K33 R34 L35	E27-E31 PolarHBondContact O-N 2.7Å; E28-E31 PolarHBondContact O-N 2.94Å; E31-K33 PolarHBondContact O-N 3.07Å; E31-R34 WeakPolarHBondContact O-CA 3.35Å; E31-R34 WeakPolarHBondContact O-CB 3.41Å; E31-R34 PolarHBondContact O-N 2.96Å; E31-L35 PolarHBondContact O-N 3.16Å
32	I	73.1	Confident	67	Low	95 Å²	95	123.3 Å²	123.3	49%	0.487	57%	0.571	S	S	.	*	H	α-helix	trans	-55.4	-36	171.5	-65.9	164.8	0	0	0	111.2	E28 K36	E28-I32 HydrophobicContact CG-CD1 4.38Å; E28-I32 WeakPolarHBondContact O-CG1 3.26Å; E28-I32 PolarHBondContact O-N 3.41Å; I32-K36 PolarHBondContact O-N 2.67Å
33	K	71.9	Confident	65.2	Low	150 Å²	150	122.3 Å²	122.3	65%	0.652	58%	0.582	S	S	*	*	H	α-helix	trans	-78.4	-14	177.2	-167.3	167.5	-176.8	175.1	0	114	K29 A30 E31	K29-K33 WeakPolarHBondContact O-CB 3.39Å; K29-K33 PolarHBondContact O-N 2.72Å; A30-K33 PolarHBondContact O-N 3.4Å; E31-K33 PolarHBondContact O-N 3.07Å
34	R	66.6	Low	63.5	Low	200 Å²	200	122.9 Å²	122.9	76%	0.755	59%	0.589	S	S	*	*	H	α-helix	trans	-82.5	-43.9	168.5	-76.8	178.4	177.3	-176.1	1.6	111.3	A30 E31 N37 S38	A30-R34 WeakPolarHBondContact O-CG 3.25Å; A30-R34 PolarHBondContact O-N 2.89Å; A30-R34 VanDerWaalsContact O-N 3.11Å; E31-R34 WeakPolarHBondContact O-CA 3.35Å; E31-R34 WeakPolarHBondContact O-CB 3.41Å; E31-R34 PolarHBondContact O-N 2.96Å; R34-N37 WeakPolarHBondContact O-CA 3.3Å; R34-N37 WeakPolarHBondContact O-CB 3.4Å; R34-N37 PolarHBondContact O-N 2.91Å; R34-S38 PolarHBondContact O-N 2.7Å
35	L	62.3	Low	61.2	Low	104 Å²	104	125.8 Å²	125.8	55%	0.545	60%	0.596	S	S	.	*	H	α-helix	trans	-58.2	-49.4	177.5	-72.1	159.9	0	0	0	111.4	E31 N37 S38	E31-L35 PolarHBondContact O-N 3.16Å; L35-N37 PolarHBondContact O-N 3.49Å; L35-S38 PolarHBondContact O-N 2.64Å; L35-S38 PolarHBondContact O-OG 2.91Å
36	K	62.2	Low	59.1	Low	149 Å²	149	129.5 Å²	129.5	65%	0.648	62%	0.618	S	S	*	*	H	α-helix	trans	-58.8	-18.9	173.9	-74.8	-159.1	170.1	-162.1	0	115.2	I32	I32-K36 PolarHBondContact O-N 2.67Å
37	N	53	Low	57.1	Low	96 Å²	96	129.7 Å²	129.7	51%	0.513	63%	0.632	S	S	.	*	H	α-helix	trans	-95.7	-6	178.9	-77.3	9.5	0	0	0	113.9	R34 L35	R34-N37 WeakPolarHBondContact O-CA 3.3Å; R34-N37 WeakPolarHBondContact O-CB 3.4Å; R34-N37 PolarHBondContact O-N 2.91Å; L35-N37 PolarHBondContact O-N 3.49Å
38	S	50.7	Low	55.1	Low	49 Å²	49	131.5 Å²	131.5	34%	0.343	65%	0.645	S	S	.	*	H	α-helix	trans	-82.2	-45.3	166.1	42.2	0	0	0	0	111.1	R34 L35 D40 R41 D42	R34-S38 PolarHBondContact O-N 2.7Å; L35-S38 PolarHBondContact O-N 2.64Å; L35-S38 PolarHBondContact O-OG 2.91Å; S38-D40 VanDerWaalsContact C-N 3.3Å; S38-D40 PolarHBondContact O-N 3.04Å; S38-R41 WeakPolarHBondContact O-CA 3.17Å; S38-R41 WeakPolarHBondContact O-CB 3.31Å; S38-R41 PolarHBondContact O-N 2.73Å; S38-D42 PolarHBondContact O-N 2.81Å
39	D	49.6	Very low	52.8	Low	106 Å²	106	135 Å²	135	57%	0.567	66%	0.661	S	S	*	*	H	α-helix	trans	-69.7	-33	-167.9	-46.6	-8.9	0	0	0	111.1	R41 S43	D39-R41 PolarHBondContact O-N 3.07Å; D39-S43 WeakPolarHBondContact O-CB 3.13Å; D39-S43 PolarHBondContact O-OG 2.82Å
40	D	48.6	Very low	50.5	Low	120 Å²	120	136.8 Å²	136.8	64%	0.642	67%	0.672	S	S	*	*	H	α-helix	trans	-66.2	-6.2	169.9	-93.5	-4.1	0	0	0	114.6	S38	S38-D40 VanDerWaalsContact C-N 3.3Å; S38-D40 PolarHBondContact O-N 3.04Å
41	R	45.2	Very low	48.2	Very low	196 Å²	196	137.5 Å²	137.5	74%	0.74	69%	0.685	S	S	*	*	H	α-helix	trans	-108.8	-41.1	-177.8	-76.2	-175.9	158.2	-151.5	-7.2	114.5	S38 D39 S43	S38-R41 WeakPolarHBondContact O-CA 3.17Å; S38-R41 WeakPolarHBondContact O-CB 3.31Å; S38-R41 PolarHBondContact O-N 2.73Å; D39-R41 PolarHBondContact O-N 3.07Å; R41-S43 VanDerWaalsContact C-N 3.34Å
42	D	42.5	Very low	46.2	Very low	121 Å²	121	139.6 Å²	139.6	65%	0.647	69%	0.694	S	S	*	*	H	α-helix	trans	-75.7	-27.9	179.1	-69.2	-33.9	0	0	0	111.4	S38 K44	S38-D42 PolarHBondContact O-N 2.81Å; D42-K44 PolarHBondContact O-N 2.85Å
43	S	44.3	Very low	44.2	Very low	92 Å²	92	141.5 Å²	141.5	64%	0.643	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	11.5	171.6	54.2	0	0	0	0	115.8	D39 R41	D39-S43 WeakPolarHBondContact O-CB 3.13Å; D39-S43 PolarHBondContact O-OG 2.82Å; R41-S43 VanDerWaalsContact C-N 3.34Å
44	K	40.9	Very low	42.2	Very low	180 Å²	180	146.4 Å²	146.4	78%	0.783	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.8	19.4	-171.5	-125.6	166.2	-167.5	155.5	0	115	D42	D42-K44 PolarHBondContact O-N 2.85Å
45	R	35.2	Very low	40.7	Very low	207 Å²	207	143.1 Å²	143.1	78%	0.781	72%	0.717	S	S	*	*	S	Bend	trans	-110.9	-19.9	-173.9	-161	164.7	-174.6	-174.2	-3.8	115.7
46	D	37	Very low	39.2	Very low	159 Å²	159	145.3 Å²	145.3	85%	0.85	72%	0.724	S	S	*	*			trans	-107.1	89.6	-174.8	-63.6	-29.6	0	0	0	112.4
47	S	31.9	Very low	37.8	Very low	115 Å²	115	146.5 Å²	146.5	80%	0.804	73%	0.725	S	S	*	*			trans	-161.3	133	160.6	60.5	0	0	0	0	109.4
48	L	34	Very low	36.5	Very low	177 Å²	177	150.9 Å²	150.9	93%	0.927	74%	0.744	S	S	*	*			trans	-107.1	177.6	-172.4	-91.3	165.1	0	0	0	113.4
49	E	32.6	Very low	35.6	Very low	182 Å²	182	154.7 Å²	154.7	85%	0.85	76%	0.757	S	S	*	*			trans	94.9	171.7	155.2	-142.1	152.1	-115.3	0	0	119.2
50	E	31.5	Very low	34.6	Very low	190 Å²	190	158 Å²	158	89%	0.888	77%	0.772	S	S	*	*			trans	-92.5	-179.9	-154.1	-52.4	177.3	137.1	0	0	112.1
51	G	26.4	Very low	33.7	Very low	68 Å²	68	158 Å²	158	70%	0.701	78%	0.777	S	S	*	*			cis	176.3	-178.4	2.7	0	0	0	0	0	112.2
52	E	31.4	Very low	33	Very low	175 Å²	175	156.5 Å²	156.5	82%	0.818	78%	0.782	S	S	*	*			trans	58.3	127.6	159	-62	-138.7	123.5	0	0	124.3
53	L	31.5	Very low	32.2	Very low	136 Å²	136	161.8 Å²	161.8	71%	0.712	79%	0.793	S	S	*	*			trans	51.6	119.9	131.4	-58.7	172.9	0	0	0	122.2
54	R	29.1	Very low	31.4	Very low	252 Å²	252	165.5 Å²	165.5	95%	0.951	81%	0.805	S	S	*	*				-159.6	160.6	99	-104.6	172.6	-169.2	-146.5	0.5	112.7
55	D	34.3	Very low	30.9	Very low	131 Å²	131	161.5 Å²	161.5	70%	0.701	80%	0.8	S	S	*	*			trans	-138.2	179.1	-164.3	-175.3	24.3	0	0	0	111.3
56	H	32.3	Very low	31	Very low	151 Å²	151	157 Å²	157	70%	0.699	80%	0.797	S	S	*	*			trans	81.7	153.8	169.3	-57.2	-3.7	0	0	0	117.5
57	R	31.1	Very low	30.6	Very low	174 Å²	174	158.5 Å²	158.5	66%	0.657	79%	0.793	S	S	*	*			cis	-173.3	138.9	-29.4	-179.5	-158.1	-88.7	-120.6	4	106.6	E59	R57-E59 IonicContact CZ-OE2 3.17Å; R57-E59 IonicContact NH1-OE1 3.71Å; R57-E59 IonicContact NH1-OE2 3.54Å; R57-E59 PolarHBondContact NH1-OE2 3.31Å
58	M	25.5	Very low	30.5	Very low	187 Å²	187	160.8 Å²	160.8	92%	0.921	78%	0.784	S	S	*	*			trans	-162.9	144.6	136.3	-115.9	175.3	-74	0	0	112
59	E	31.8	Very low	30.3	Very low	130 Å²	130	161.4 Å²	161.4	61%	0.607	77%	0.774	S	S	*	*			trans	-106	167.1	-179.1	-65	150.1	92	0	0	110.5	R57	R57-E59 IonicContact CZ-OE2 3.17Å; R57-E59 IonicContact NH1-OE1 3.71Å; R57-E59 IonicContact NH1-OE2 3.54Å; R57-E59 PolarHBondContact NH1-OE2 3.31Å
60	I	30.1	Very low	30.1	Very low	174 Å²	174	157.5 Å²	157.5	89%	0.892	76%	0.756	S	S	*	*				-165	153.7	127.1	-102.1	156.2	0	0	0	110.4
61	T	28.8	Very low	29.9	Very low	120 Å²	120	155 Å²	155	74%	0.736	75%	0.748	S	S	*	*			trans	-103.3	158	-167.3	52.8	0	0	0	0	113.3
62	I	30	Very low	30.1	Very low	166 Å²	166	156.3 Å²	156.3	85%	0.851	75%	0.747	S	S	*	*			trans	-139.9	135.5	145.4	-69.2	-167.7	0	0	0	109
63	R	27.2	Very low	30.1	Very low	231 Å²	231	155.8 Å²	155.8	87%	0.872	75%	0.746	S	S	*	*			trans	-90.2	155	167.2	-76	173.6	163.2	166.9	-6.6	110.5
64	N	27.4	Very low	30.2	Very low	170 Å²	170	157.9 Å²	157.9	91%	0.909	75%	0.752	S	S	*	*			trans	-159.4	161.4	132.9	-107.9	-28.7	0	0	0	113.8
65	S	28.9	Very low	30.3	Very low	96 Å²	96	152.4 Å²	152.4	67%	0.671	74%	0.742	S	S	*	*			trans	-94.8	150.8	-169.9	-169.9	0	0	0	0	113.4
66	P	37.3	Very low	30.2	Very low	112 Å²	112	157.1 Å²	157.1	73%	0.727	75%	0.75	S	S	*	*			trans	-78.7	151	162.2	34	-35.2	0	0	0	111.5
67	Y	29	Very low	30.1	Very low	192 Å²	192	153.4 Å²	153.4	75%	0.753	75%	0.752	S	S	*	*			trans	-165.3	124.7	166.8	-128.4	-80.4	0	0	0	114.1
68	R	30.7	Very low	30.2	Very low	163 Å²	163	154.6 Å²	154.6	62%	0.615	77%	0.765	S	S	*	*			trans	59.7	161.4	157.8	-89.2	177.8	153.8	121	6.5	118.8	E70	R68-E70 IonicContact CZ-OE1 3.6Å; R68-E70 IonicContact NE-OE1 3.08Å; R68-E70 PolarHBondContact NE-OE1 3.5Å; R68-E70 IonicContact NE-OE2 2.69Å; R68-E70 IonicContact NH2-OE1 3.27Å; R68-E70 PolarHBondContact NH2-OE1 2.97Å
69	R	28.8	Very low	30.5	Very low	190 Å²	190	155 Å²	155	72%	0.717	76%	0.764	S	S	*	*			cis	-127.5	146	8.9	-93.4	-157.6	145.4	85.6	13.6	110.5
70	E	29	Very low	30.4	Very low	100 Å²	100	156.6 Å²	156.6	47%	0.467	78%	0.777	S	S	.	*				62.5	130.7	81.7	-59.9	168.2	-175.1	0	0	111.5	R68	R68-E70 IonicContact CZ-OE1 3.6Å; R68-E70 IonicContact NE-OE1 3.08Å; R68-E70 PolarHBondContact NE-OE1 3.5Å; R68-E70 IonicContact NE-OE2 2.69Å; R68-E70 IonicContact NH2-OE1 3.27Å; R68-E70 PolarHBondContact NH2-OE1 2.97Å
71	D	27.7	Very low	30.5	Very low	138 Å²	138	154.5 Å²	154.5	74%	0.738	77%	0.768	S	S	*	*			cis	-147.7	145	28	-87.5	-53.7	0	0	0	113.6
72	S	30.5	Very low	30.8	Very low	95 Å²	95	153.3 Å²	153.3	66%	0.664	77%	0.765	S	S	*	*				77.6	151.8	102.6	90.9	0	0	0	0	116.4
73	M	30.1	Very low	30.9	Very low	163 Å²	163	153.4 Å²	153.4	80%	0.803	77%	0.766	S	S	*	*			cis	-124	151.7	6.2	-75.9	173.1	167.6	0	0	109.6
74	E	33.6	Very low	31.3	Very low	181 Å²	181	147.1 Å²	147.1	85%	0.846	76%	0.764	S	S	*	*				60.3	138.9	62.1	-71.9	-177.9	-176.4	0	0	114.5
75	D	32.3	Very low	31.6	Very low	137 Å²	137	146.9 Å²	146.9	73%	0.733	76%	0.76	S	S	*	*			cis	-162.4	152.2	-13.8	170.9	50.2	0	0	0	110.2
76	R	32.7	Very low	31.9	Very low	230 Å²	230	151.3 Å²	151.3	87%	0.868	77%	0.767	S	S	*	*			trans	149	128.9	141.7	-85.2	-178.8	174.1	150.3	1.4	112.6
77	G	29.2	Very low	31.7	Very low	72 Å²	72	151.5 Å²	151.5	74%	0.742	77%	0.769	S	S	*	*			trans	-122.8	176.2	163.8	0	0	0	0	0	111.3
78	E	33	Very low	31.9	Very low	200 Å²	200	148.5 Å²	148.5	94%	0.935	77%	0.773	S	S	*	*			trans	-152.6	145.5	159	-112.3	163.8	-158.7	0	0	107
79	E	32.7	Very low	32	Very low	194 Å²	194	149.6 Å²	149.6	91%	0.907	79%	0.785	S	S	*	*			trans	-103	140.2	-174.5	-56.7	177.2	132	0	0	109.9
80	D	30.2	Very low	32.2	Very low	164 Å²	164	149.9 Å²	149.9	88%	0.877	79%	0.794	S	S	*	*			trans	-161.6	173.5	147.9	-137.7	-18.1	0	0	0	115.2
81	D	32.3	Very low	32.3	Very low	131 Å²	131	153.9 Å²	153.9	70%	0.701	82%	0.815	S	S	*	*			trans	-64.5	135.1	-154	-112.9	-24.5	0	0	0	120.8	L83	D81-L83 PolarHBondContact O-N 3.31Å
82	S	33.2	Very low	32.8	Very low	95 Å²	95	152.3 Å²	152.3	66%	0.664	82%	0.815	S	S	*	*				32.6	82.3	114.4	-48.1	0	0	0	0	121.6
83	L	34.1	Very low	33.4	Very low	168 Å²	168	160.1 Å²	160.1	88%	0.88	83%	0.83	S	S	*	*			trans	-144.8	109.9	151	-85.2	-171.9	0	0	0	114.8	D81	D81-L83 PolarHBondContact O-N 3.31Å
84	A	34.1	Very low	34	Very low	99 Å²	99	160.7 Å²	160.7	82%	0.818	83%	0.828	S	S	*	*			trans	-92.1	105.1	172.8	0	0	0	0	0	112.1	K86	A84-K86 PolarHBondContact O-N 3.37Å
85	I	35.1	Very low	34.2	Very low	164 Å²	164	160.5 Å²	160.5	84%	0.841	83%	0.827	S	S	*	*			trans	-73.5	115.8	-176.8	-59.3	176.1	0	0	0	111.2
86	K	33.6	Very low	34.6	Very low	189 Å²	189	163.8 Å²	163.8	82%	0.822	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-79.9	142.7	171.2	-67.6	176.2	-179.3	171.9	0	110.9	A84	A84-K86 PolarHBondContact O-N 3.37Å
87	P	33.8	Very low	35	Very low	116 Å²	116	156.2 Å²	156.2	75%	0.753	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-67.7	142.9	174.5	28.5	-34.4	0	0	0	111.5
88	P	32.9	Very low	35.7	Very low	129 Å²	129	159.7 Å²	159.7	84%	0.838	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-75.7	133.5	-170.9	29.1	-35.2	0	0	0	113.2
89	Q	32.3	Very low	36.2	Very low	186 Å²	186	157.8 Å²	157.8	87%	0.869	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-82	127.5	171.8	-69.1	-179.2	-24.1	0	0	111	M91	Q89-M91 PolarHBondContact O-N 3.37Å
90	Q	33.9	Very low	36.8	Very low	196 Å²	196	158.9 Å²	158.9	92%	0.916	81%	0.805	S	S	*	*			trans	-78.6	106.4	174.8	-74.8	-172.8	-22.3	0	0	111.6	S92	Q90-S92 PolarHBondContact O-N 2.73Å
91	M	32	Very low	37.6	Very low	185 Å²	185	158.8 Å²	158.8	91%	0.911	80%	0.796	S	S	*	*			trans	-66.6	113.8	171.7	-74.1	-84	-83.9	0	0	111.2	Q89 R93	Q89-M91 PolarHBondContact O-N 3.37Å; M91-R93 PolarHBondContact O-N 2.81Å
92	S	37.9	Very low	38.3	Very low	105 Å²	105	156.5 Å²	156.5	73%	0.734	78%	0.784	S	S	*	*			trans	-75.1	118.7	-178	62.8	0	0	0	0	112.8	Q90 K94	Q90-S92 PolarHBondContact O-N 2.73Å; S92-K94 PolarHBondContact O-N 3.44Å
93	R	43	Very low	38.9	Very low	259 Å²	259	158.6 Å²	158.6	98%	0.977	78%	0.784	S	S	*	*			trans	-60.2	99.7	171	-76.1	177.3	168.4	176	-3.6	111.2	M91	M91-R93 PolarHBondContact O-N 2.81Å
94	K	41.3	Very low	39.6	Very low	174 Å²	174	158 Å²	158	76%	0.757	77%	0.774	S	S	*	*			trans	-137.2	-15.9	172.4	-142.4	172.7	-176.2	179.6	0	117	S92	S92-K94 PolarHBondContact O-N 3.44Å
95	E	38.7	Very low	40.3	Very low	177 Å²	177	161.9 Å²	161.9	83%	0.827	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-84.4	-30.6	-170.6	-61.3	-178.1	129	0	0	114.8	A97 H98	E95-A97 PolarHBondContact O-N 2.68Å; E95-H98 PolarHBondContact O-N 2.9Å
96	K	40.5	Very low	41	Very low	207 Å²	207	162.2 Å²	162.2	90%	0.9	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-68.7	2.2	-177.8	-65.2	-168.7	176.4	-174.8	0	114.9
97	A	42.3	Very low	41.6	Very low	71 Å²	71	159.5 Å²	159.5	59%	0.587	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-90.1	-22.2	175.1	0	0	0	0	0	114.3	E95	E95-A97 PolarHBondContact O-N 2.68Å
98	H	42.9	Very low	42.3	Very low	145 Å²	145	162.2 Å²	162.2	67%	0.671	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-46.1	-176.9	-89.8	-112.7	0	0	0	112.7	E95 R100 K101	E95-H98 PolarHBondContact O-N 2.9Å; H98-R100 PolarHBondContact O-N 2.96Å; H98-K101 WeakPolarHBondContact O-CB 3.26Å; H98-K101 PolarHBondContact O-N 2.97Å
99	H	43	Very low	43	Very low	159 Å²	159	166.5 Å²	166.5	74%	0.736	75%	0.753	S	S	*	*	H	α-helix	trans	-60.1	-25.8	-172.1	-153.9	-46.9	0	0	0	114.2	K101	H99-K101 VanDerWaalsContact C-N 3.32Å; H99-K101 PolarHBondContact O-N 3.09Å
100	R	45.7	Very low	43.8	Very low	217 Å²	217	168 Å²	168	82%	0.819	75%	0.75	S	S	*	*	H	α-helix	trans	-83.3	-2	179.2	-135.3	175.9	-169.7	-178.5	3	114.2	H98	H98-R100 PolarHBondContact O-N 2.96Å
101	K	46.4	Very low	44.5	Very low	162 Å²	162	166.7 Å²	166.7	70%	0.704	74%	0.744	S	S	*	*	H	α-helix	trans	-97.2	-27.2	-176.6	-135.3	170.6	-172.8	174.5	0	113.3	H98 H99	H98-K101 WeakPolarHBondContact O-CB 3.26Å; H98-K101 PolarHBondContact O-N 2.97Å; H99-K101 VanDerWaalsContact C-N 3.32Å; H99-K101 PolarHBondContact O-N 3.09Å
102	D	46.7	Very low	45.4	Very low	84 Å²	84	168.8 Å²	168.8	45%	0.449	74%	0.741	S	S	.	*	H	α-helix	trans	-89.4	-21.8	-176.4	-70	-53	0	0	0	114.5	R105 K106	D102-R105 WeakPolarHBondContact O-CB 3.29Å; D102-R105 PolarHBondContact O-N 3.16Å; D102-R105 VanDerWaalsContact O-N 3.11Å; D102-R105 WeakPolarHBondContact OD1-CD 3.35Å; D102-R105 IonicContact OD1-NH1 3.98Å; D102-K106 PolarHBondContact O-N 3.09Å; D102-K106 VanDerWaalsContact O-N 3.09Å
103	E	47.8	Very low	45.9	Very low	138 Å²	138	168.2 Å²	168.2	65%	0.645	74%	0.738	S	S	*	*	H	α-helix	trans	-61.7	-47.8	168.3	-69.4	-158.7	114	0	0	111.8	R105 K106 E107	E103-R105 PolarHBondContact O-N 2.85Å; E103-K106 PolarHBondContact O-N 3.29Å; E103-E107 PolarHBondContact O-N 3.11Å; E103-E107 VanDerWaalsContact O-N 3.1Å
104	K	47.7	Very low	46.2	Very low	157 Å²	157	164.8 Å²	164.8	68%	0.683	73%	0.732	S	S	*	*	H	α-helix	trans	-63.4	-10.9	173.7	-81.3	-169.4	170.8	-175.9	0	114.1
105	R	49.7	Very low	46	Very low	180 Å²	180	162.5 Å²	162.5	68%	0.679	74%	0.738	S	S	*	*	H	α-helix	trans	-88.6	-32.7	168.2	-87.2	176.8	159.4	173.1	-5.7	113.5	D102 E103	D102-R105 WeakPolarHBondContact O-CB 3.29Å; D102-R105 PolarHBondContact O-N 3.16Å; D102-R105 VanDerWaalsContact O-N 3.11Å; D102-R105 WeakPolarHBondContact OD1-CD 3.35Å; D102-R105 IonicContact OD1-NH1 3.98Å; E103-R105 PolarHBondContact O-N 2.85Å
106	K	48.6	Very low	46.4	Very low	171 Å²	171	158.9 Å²	158.9	74%	0.743	74%	0.739	S	S	*	*	H	α-helix	trans	-66.2	-43.5	172.4	-76.7	-176.8	175.3	177.2	0	111.2	D102 E103 R109	D102-K106 PolarHBondContact O-N 3.09Å; D102-K106 VanDerWaalsContact O-N 3.09Å; E103-K106 PolarHBondContact O-N 3.29Å; K106-R109 PolarHBondContact O-N 2.94Å
107	E	46.7	Very low	46.9	Very low	131 Å²	131	158.7 Å²	158.7	61%	0.612	74%	0.741	S	S	*	*	H	α-helix	trans	-61.6	-50.3	-178.6	-169	169.5	-132.2	0	0	112.5	E103 R109 R110	E103-E107 PolarHBondContact O-N 3.11Å; E103-E107 VanDerWaalsContact O-N 3.1Å; E107-R109 PolarHBondContact O-N 3.44Å; E107-R109 VanDerWaalsContact O-N 3.09Å; E107-R110 PolarHBondContact O-N 3.23Å
108	K	48.5	Very low	47.2	Very low	174 Å²	174	158.1 Å²	158.1	76%	0.757	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-13.3	176.7	-81.9	-165.3	172.2	-171.2	0	115.2
109	R	47.8	Very low	47.8	Very low	219 Å²	219	154.7 Å²	154.7	83%	0.826	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-16.5	172.8	-97.4	-177.3	166.6	178.1	-5.2	113.7	K106 E107	K106-R109 PolarHBondContact O-N 2.94Å; E107-R109 PolarHBondContact O-N 3.44Å; E107-R109 VanDerWaalsContact O-N 3.09Å
110	R	49.2	Very low	48.3	Very low	216 Å²	216	156.2 Å²	156.2	82%	0.815	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-15.7	175.6	-71.5	-176.2	169.3	177.5	-4.6	114.1	E107	E107-R110 PolarHBondContact O-N 3.23Å
111	H	48.6	Very low	48.5	Very low	170 Å²	170	154 Å²	154	79%	0.787	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	30.3	178.6	-78.4	-76.8	0	0	0	114.2
112	R	50.3	Low	48.9	Very low	228 Å²	228	149.3 Å²	149.3	86%	0.86	74%	0.74	S	S	*	*			trans	-135.1	29.8	177.9	-108.4	-175	-177.9	-166.6	-0.8	114.8
113	S	48.6	Very low	49.3	Very low	94 Å²	94	154.7 Å²	154.7	66%	0.657	75%	0.754	S	S	*	*			trans	-100.5	49	175.9	58.2	0	0	0	0	112.9
114	H	48.6	Very low	49.7	Very low	187 Å²	187	152.9 Å²	152.9	87%	0.866	75%	0.753	S	S	*	*	S	Bend	trans	-153.4	152.6	163.3	-86.9	-64.1	0	0	0	109.9
115	S	37.9	Very low	50.1	Low	126 Å²	126	151.1 Å²	151.1	88%	0.881	75%	0.745	S	S	*	*			trans	64.4	111.7	-164.7	-164.5	0	0	0	0	113.7
116	A	47.7	Very low	50.9	Low	101 Å²	101	149.1 Å²	149.1	84%	0.835	74%	0.743	S	S	*	*			trans	-137	97.3	-179.7	0	0	0	0	0	110.1
117	E	49.7	Very low	51.6	Low	202 Å²	202	148.5 Å²	148.5	94%	0.944	74%	0.741	S	S	*	*			trans	-153.5	155.1	168.7	-117.2	170.2	-171.6	0	0	109.8
118	G	49.4	Very low	52.5	Low	60 Å²	60	148 Å²	148	62%	0.619	74%	0.739	S	S	*	*			trans	104.4	27.8	-179.6	0	0	0	0	0	117.1	K120	G118-K120 VanDerWaalsContact C-N 3.33Å; G118-K120 PolarHBondContact O-N 3.37Å; G118-K120 VanDerWaalsContact O-N 3.09Å
119	G	54.6	Low	53.6	Low	73 Å²	73	146.4 Å²	146.4	75%	0.753	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-3.7	-167.9	0	0	0	0	0	119.5
120	K	53.6	Low	54.9	Low	191 Å²	191	140.5 Å²	140.5	83%	0.83	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	-52.6	-174.3	-70	-174	177.9	-179.8	0	114.8	G118 A122 R123	G118-K120 VanDerWaalsContact C-N 3.33Å; G118-K120 PolarHBondContact O-N 3.37Å; G118-K120 VanDerWaalsContact O-N 3.09Å; K120-A122 VanDerWaalsContact C-N 3.32Å; K120-A122 PolarHBondContact O-N 3.31Å; K120-R123 PolarHBondContact O-N 3.1Å
121	H	51	Low	56.2	Low	170 Å²	170	135.8 Å²	135.8	79%	0.787	70%	0.696	S	S	*	*	H	α-helix	trans	-65.5	-29.9	-177.4	-98.6	-42.6	0	0	0	114.4	R123 K125	H121-R123 VanDerWaalsContact C-N 3.28Å; H121-R123 PolarHBondContact O-N 3.04Å; H121-K125 PolarHBondContact O-N 3.04Å
122	A	53.7	Low	57.5	Low	63 Å²	63	131.9 Å²	131.9	52%	0.521	68%	0.679	S	S	.	*	H	α-helix	trans	-60.1	-37.4	-179.4	0	0	0	0	0	112.9	K120 K125 E126	K120-A122 VanDerWaalsContact C-N 3.32Å; K120-A122 PolarHBondContact O-N 3.31Å; A122-K125 PolarHBondContact O-N 2.68Å; A122-E126 WeakPolarHBondContact O-CB 3.4Å; A122-E126 PolarHBondContact O-N 3.22Å
123	R	54.6	Low	58.9	Low	197 Å²	197	129.8 Å²	129.8	74%	0.743	67%	0.671	S	S	*	*	H	α-helix	trans	-73.7	-30.7	-170.7	-142.7	174.3	-172.2	-173.8	1.5	113.4	K120 H121 K127	K120-R123 PolarHBondContact O-N 3.1Å; H121-R123 VanDerWaalsContact C-N 3.28Å; H121-R123 PolarHBondContact O-N 3.04Å; R123-K127 PolarHBondContact O-N 3.26Å
124	V	56.8	Low	60.3	Low	101 Å²	101	132.4 Å²	132.4	61%	0.612	67%	0.666	S	S	*	*	H	α-helix	trans	-72	-48.4	173	-178.9	0	0	0	0	109.9	E126 K127 E128	V124-E126 PolarHBondContact O-N 3.42Å; V124-E126 VanDerWaalsContact O-N 3.17Å; V124-K127 PolarHBondContact O-N 3.32Å; V124-K127 VanDerWaalsContact O-N 3.14Å; V124-E128 PolarHBondContact O-N 2.96Å
125	K	56.7	Low	61.9	Low	120 Å²	120	129 Å²	129	52%	0.522	65%	0.649	S	S	.	*	H	α-helix	trans	-66.8	-15.4	-179.9	-156.6	157.6	-166.6	156.4	0	113.7	H121 A122 R129	H121-K125 PolarHBondContact O-N 3.04Å; A122-K125 PolarHBondContact O-N 2.68Å; K125-R129 WeakPolarHBondContact O-CD 3.45Å; K125-R129 VanDerWaalsContact O-CG 3.23Å; K125-R129 WeakPolarHBondContact O-CG 3.37Å
126	E	65.9	Low	63.9	Low	137 Å²	137	129.6 Å²	129.6	64%	0.64	63%	0.632	S	S	*	*	H	α-helix	trans	-83.1	-46.3	170.1	-171.3	158.9	-133.8	0	0	112	A122 V124 E128 R129 E130	A122-E126 WeakPolarHBondContact O-CB 3.4Å; A122-E126 PolarHBondContact O-N 3.22Å; V124-E126 PolarHBondContact O-N 3.42Å; V124-E126 VanDerWaalsContact O-N 3.17Å; E126-E128 VanDerWaalsContact C-N 3.34Å; E126-E128 PolarHBondContact O-N 3.15Å; E126-R129 PolarHBondContact O-N 3.42Å; E126-E130 PolarHBondContact O-N 2.97Å
127	K	64.5	Low	65.6	Low	158 Å²	158	129.9 Å²	129.9	69%	0.687	62%	0.616	S	S	*	*	H	α-helix	trans	-57.8	-44	173.5	-77.5	-170.8	171.8	-168.5	0	112.6	R123 V124 R129 E130 H131	R123-K127 PolarHBondContact O-N 3.26Å; V124-K127 PolarHBondContact O-N 3.32Å; V124-K127 VanDerWaalsContact O-N 3.14Å; K127-R129 PolarHBondContact O-N 2.88Å; K127-E130 WeakPolarHBondContact O-CB 3.43Å; K127-E130 PolarHBondContact O-N 2.93Å; K127-E130 VanDerWaalsContact O-N 3.16Å; K127-H131 PolarHBondContact O-N 3.11Å
128	E	65.7	Low	66.8	Low	122 Å²	122	127.8 Å²	127.8	57%	0.57	60%	0.599	S	S	*	*	H	α-helix	trans	-56.9	-48.7	176.9	-177.7	-175.7	-152.5	0	0	111.6	V124 E126 E130 H131 E132	V124-E128 PolarHBondContact O-N 2.96Å; E126-E128 VanDerWaalsContact C-N 3.34Å; E126-E128 PolarHBondContact O-N 3.15Å; E128-E130 VanDerWaalsContact C-N 3.3Å; E128-E130 PolarHBondContact O-N 3.11Å; E128-H131 PolarHBondContact O-N 3.49Å; E128-E132 WeakPolarHBondContact O-CB 3.36Å; E128-E132 PolarHBondContact O-N 2.74Å
129	R	71.4	Confident	68.3	Low	140 Å²	140	129.7 Å²	129.7	53%	0.528	59%	0.592	S	S	.	*	H	α-helix	trans	-66.9	-27.7	176.2	-72.7	172.3	174.6	164.9	-6.4	113.4	K125 E126 K127 R133	K125-R129 WeakPolarHBondContact O-CD 3.45Å; K125-R129 VanDerWaalsContact O-CG 3.23Å; K125-R129 WeakPolarHBondContact O-CG 3.37Å; E126-R129 PolarHBondContact O-N 3.42Å; K127-R129 PolarHBondContact O-N 2.88Å; R129-R133 WeakPolarHBondContact O-CD 3.3Å; R129-R133 VanDerWaalsContact O-CG 3.24Å; R129-R133 WeakPolarHBondContact O-CG 3.47Å; R129-R133 PolarHBondContact O-N 3.38Å
130	E	73.5	Confident	69.6	Low	94 Å²	94	132.6 Å²	132.6	44%	0.439	59%	0.586	S	S	.	*	H	α-helix	trans	-73	-44.9	173.2	-160.3	-168.3	157.8	0	0	111.1	E126 K127 E128 E132 R133 R134	E126-E130 PolarHBondContact O-N 2.97Å; K127-E130 WeakPolarHBondContact O-CB 3.43Å; K127-E130 PolarHBondContact O-N 2.93Å; K127-E130 VanDerWaalsContact O-N 3.16Å; E128-E130 VanDerWaalsContact C-N 3.3Å; E128-E130 PolarHBondContact O-N 3.11Å; E130-E132 VanDerWaalsContact C-N 3.32Å; E130-E132 PolarHBondContact O-N 2.74Å; E130-R133 PolarHBondContact O-N 2.71Å; E130-R134 WeakPolarHBondContact O-CG 3.4Å; E130-R134 PolarHBondContact O-N 2.99Å; E130-R134 IonicContact OE1-CZ 2.66Å; E130-R134 VanDerWaalsContact OE1-CZ 3.27Å; E130-R134 IonicContact OE1-NE 3.24Å; E130-R134 PolarHBondContact OE1-NE 2.73Å; E130-R134 VanDerWaalsContact OE1-NE 3.08Å; E130-R134 IonicContact OE1-NH2 2.67Å; E130-R134 PolarHBondContact OE1-NH2 3.42Å
131	H	76.8	Confident	70.9	Confident	117 Å²	117	129 Å²	129	54%	0.542	57%	0.572	S	S	.	*	H	α-helix	trans	-58.4	-44.9	173.7	-178.1	-113.3	0	0	0	111.5	K127 E128 R133 R134 K135	K127-H131 PolarHBondContact O-N 3.11Å; E128-H131 PolarHBondContact O-N 3.49Å; H131-R133 VanDerWaalsContact C-N 3.32Å; H131-R133 PolarHBondContact O-N 3.12Å; H131-R134 CarbonylContact O-C 3.59Å; H131-R134 PolarHBondContact O-N 2.79Å; H131-R134 VanDerWaalsContact O-N 3.14Å; H131-K135 PolarHBondContact O-N 3.29Å
132	E	75.7	Confident	72.3	Confident	89 Å²	89	124.2 Å²	124.2	42%	0.416	55%	0.552	S	S	.	*	H	α-helix	trans	-59.5	-39.9	176.4	-162.2	-161.9	-175.4	0	0	112.5	E128 E130 K135 R136	E128-E132 WeakPolarHBondContact O-CB 3.36Å; E128-E132 PolarHBondContact O-N 2.74Å; E130-E132 VanDerWaalsContact C-N 3.32Å; E130-E132 PolarHBondContact O-N 2.74Å; E132-K135 PolarHBondContact O-N 2.74Å; E132-R136 VanDerWaalsContact O-CG 3.31Å; E132-R136 WeakPolarHBondContact O-CG 3.46Å; E132-R136 PolarHBondContact O-N 3.31Å; E132-R136 IonicContact OE1-CZ 2.69Å; E132-R136 IonicContact OE1-NE 3.73Å; E132-R136 PolarHBondContact OE1-NE 3.19Å; E132-R136 IonicContact OE1-NH2 1.81Å; E132-R136 PolarHBondContact OE1-NH2 3.48Å
133	R	80.8	Confident	73.9	Confident	183 Å²	183	127.2 Å²	127.2	69%	0.691	55%	0.553	S	S	*	*	H	α-helix	trans	-66.3	-42.5	173.4	-73	168.5	-176.6	-168.7	3.4	112.3	R129 E130 H131 K135 R136 H137	R129-R133 WeakPolarHBondContact O-CD 3.3Å; R129-R133 VanDerWaalsContact O-CG 3.24Å; R129-R133 WeakPolarHBondContact O-CG 3.47Å; R129-R133 PolarHBondContact O-N 3.38Å; E130-R133 PolarHBondContact O-N 2.71Å; H131-R133 VanDerWaalsContact C-N 3.32Å; H131-R133 PolarHBondContact O-N 3.12Å; R133-K135 VanDerWaalsContact C-N 3.27Å; R133-K135 PolarHBondContact O-N 3.48Å; R133-R136 PolarHBondContact O-N 3.17Å; R133-H137 WeakPolarHBondContact O-CB 3.29Å; R133-H137 PolarHBondContact O-N 3.17Å
134	R	78.3	Confident	75.4	Confident	150 Å²	150	120.6 Å²	120.6	57%	0.566	54%	0.541	S	S	*	.	H	α-helix	trans	-65.3	-29.1	176.2	-68.1	175	-177.6	-145.4	6	112.1	E130 H131 R138	E130-R134 WeakPolarHBondContact O-CG 3.4Å; E130-R134 PolarHBondContact O-N 2.99Å; E130-R134 IonicContact OE1-CZ 2.66Å; E130-R134 VanDerWaalsContact OE1-CZ 3.27Å; E130-R134 IonicContact OE1-NE 3.24Å; E130-R134 PolarHBondContact OE1-NE 2.73Å; E130-R134 VanDerWaalsContact OE1-NE 3.08Å; E130-R134 IonicContact OE1-NH2 2.67Å; E130-R134 PolarHBondContact OE1-NH2 3.42Å; H131-R134 CarbonylContact O-C 3.59Å; H131-R134 PolarHBondContact O-N 2.79Å; H131-R134 VanDerWaalsContact O-N 3.14Å; R134-R138 PolarHBondContact O-N 3.06Å; R134-R138 PolarHBondContact O-NE 3.24Å
135	K	82.2	Confident	76.7	Confident	115 Å²	115	123.6 Å²	123.6	50%	0.5	54%	0.541	S	S	.	.	H	α-helix	trans	-69.6	-56.2	170.1	178.4	168.3	174.4	171.6	0	111.2	H131 E132 R133 H137 R138 E139	H131-K135 PolarHBondContact O-N 3.29Å; E132-K135 PolarHBondContact O-N 2.74Å; R133-K135 VanDerWaalsContact C-N 3.27Å; R133-K135 PolarHBondContact O-N 3.48Å; K135-H137 VanDerWaalsContact C-N 3.29Å; K135-H137 PolarHBondContact O-N 3.35Å; K135-R138 PolarHBondContact O-N 3.49Å; K135-E139 WeakPolarHBondContact CE-OE1 3.33Å; K135-E139 HydrophobicContact CG-CG 4.46Å; K135-E139 WeakPolarHBondContact CG-OE1 3.31Å; K135-E139 IonicContact NZ-OE1 3.1Å; K135-E139 WeakPolarHBondContact O-CG 3.38Å; K135-E139 PolarHBondContact O-N 2.96Å
136	R	78.6	Confident	77.9	Confident	139 Å²	139	124.6 Å²	124.6	53%	0.525	54%	0.542	S	S	.	.	H	α-helix	trans	-54.9	-40.9	178.6	-68.6	165.8	-176.7	-102.9	7.4	112.8	E132 R133 E139 E140	E132-R136 VanDerWaalsContact O-CG 3.31Å; E132-R136 WeakPolarHBondContact O-CG 3.46Å; E132-R136 PolarHBondContact O-N 3.31Å; E132-R136 IonicContact OE1-CZ 2.69Å; E132-R136 IonicContact OE1-NE 3.73Å; E132-R136 PolarHBondContact OE1-NE 3.19Å; E132-R136 IonicContact OE1-NH2 1.81Å; E132-R136 PolarHBondContact OE1-NH2 3.48Å; R133-R136 PolarHBondContact O-N 3.17Å; R136-E139 PolarHBondContact O-N 3.08Å; R136-E140 WeakPolarHBondContact O-CG 2.99Å; R136-E140 PolarHBondContact O-N 3.26Å
137	H	84.3	Confident	78.8	Confident	107 Å²	107	122.5 Å²	122.5	50%	0.495	53%	0.532	S	S	.	.	H	α-helix	trans	-65.7	-37.2	177.1	-174.9	-93.5	0	0	0	113.1	R133 K135 Q141	R133-H137 WeakPolarHBondContact O-CB 3.29Å; R133-H137 PolarHBondContact O-N 3.17Å; K135-H137 VanDerWaalsContact C-N 3.29Å; K135-H137 PolarHBondContact O-N 3.35Å; H137-Q141 PolarHBondContact CE1-NE2 2.97Å; H137-Q141 VanDerWaalsContact CE1-NE2 3.33Å; H137-Q141 WeakPolarHBondContact O-CG 3.47Å; H137-Q141 PolarHBondContact O-N 2.81Å; H137-Q141 VanDerWaalsContact O-N 3.08Å
138	R	74.5	Confident	79.9	Confident	157 Å²	157	122.4 Å²	122.4	59%	0.592	53%	0.528	S	S	*	.	H	α-helix	trans	-66.4	-46.1	172.1	-79.9	-172.1	-80.9	-171.3	0.2	110.8	R134 K135 E140 Q141 D142	R134-R138 PolarHBondContact O-N 3.06Å; R134-R138 PolarHBondContact O-NE 3.24Å; K135-R138 PolarHBondContact O-N 3.49Å; R138-E140 VanDerWaalsContact C-N 3.3Å; R138-E140 PolarHBondContact O-N 2.95Å; R138-Q141 PolarHBondContact O-N 2.83Å; R138-D142 WeakPolarHBondContact O-CB 3.49Å; R138-D142 PolarHBondContact O-N 2.88Å
139	E	80.9	Confident	80.9	Confident	100 Å²	100	120.3 Å²	120.3	47%	0.467	52%	0.518	S	S	.	.	H	α-helix	trans	-58.3	-38	176	-67.5	167.1	168	0	0	112.8	K135 R136 K143	K135-E139 WeakPolarHBondContact CE-OE1 3.33Å; K135-E139 HydrophobicContact CG-CG 4.46Å; K135-E139 WeakPolarHBondContact CG-OE1 3.31Å; K135-E139 IonicContact NZ-OE1 3.1Å; K135-E139 WeakPolarHBondContact O-CG 3.38Å; K135-E139 PolarHBondContact O-N 2.96Å; R136-E139 PolarHBondContact O-N 3.08Å; E139-K143 VanDerWaalsContact O-CB 3.29Å; E139-K143 WeakPolarHBondContact O-CB 3.49Å; E139-K143 PolarHBondContact O-N 2.87Å
140	E	83.1	Confident	81.5	Confident	135 Å²	135	119.7 Å²	119.7	63%	0.631	52%	0.515	S	S	*	.	H	α-helix	trans	-68.5	-41.6	174.2	-76.1	-176.4	149.5	0	0	112.9	R136 R138 K143 A144	R136-E140 WeakPolarHBondContact O-CG 2.99Å; R136-E140 PolarHBondContact O-N 3.26Å; R138-E140 VanDerWaalsContact C-N 3.3Å; R138-E140 PolarHBondContact O-N 2.95Å; E140-K143 PolarHBondContact O-N 3.25Å; E140-A144 WeakPolarHBondContact O-CB 3.38Å; E140-A144 PolarHBondContact O-N 3.15Å
141	Q	80	Confident	82.2	Confident	116 Å²	116	121.1 Å²	121.1	54%	0.542	52%	0.522	S	S	.	.	H	α-helix	trans	-63.7	-42	173.8	-75.9	-172.8	-18.9	0	0	112	H137 R138 A144 R145	H137-Q141 PolarHBondContact CE1-NE2 2.97Å; H137-Q141 VanDerWaalsContact CE1-NE2 3.33Å; H137-Q141 WeakPolarHBondContact O-CG 3.47Å; H137-Q141 PolarHBondContact O-N 2.81Å; H137-Q141 VanDerWaalsContact O-N 3.08Å; R138-Q141 PolarHBondContact O-N 2.83Å; Q141-A144 PolarHBondContact O-N 3.03Å; Q141-R145 PolarHBondContact O-N 2.86Å
142	D	81	Confident	82.6	Confident	68 Å²	68	121 Å²	121	36%	0.364	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-39.8	177.4	-117.3	34.4	0	0	0	112.2	R138 R146	R138-D142 WeakPolarHBondContact O-CB 3.49Å; R138-D142 PolarHBondContact O-N 2.88Å; D142-R146 VanDerWaalsContact CB-NH1 3.34Å; D142-R146 WeakPolarHBondContact O-CG 3.38Å; D142-R146 PolarHBondContact O-N 2.79Å; D142-R146 VanDerWaalsContact O-N 3.09Å; D142-R146 IonicContact OD2-CZ 3.69Å; D142-R146 IonicContact OD2-NH1 3.76Å; D142-R146 PolarHBondContact OD2-NH1 2.9Å; D142-R146 IonicContact OD2-NH2 3.13Å; D142-R146 PolarHBondContact OD2-NH2 2.98Å
143	K	86.7	Confident	82.9	Confident	126 Å²	126	125.7 Å²	125.7	55%	0.548	53%	0.534	S	S	.	.	H	α-helix	trans	-65.1	-44.2	172	-177.1	179.6	174	-175.2	0	111.4	E139 E140 R145 R146 E147	E139-K143 VanDerWaalsContact O-CB 3.29Å; E139-K143 WeakPolarHBondContact O-CB 3.49Å; E139-K143 PolarHBondContact O-N 2.87Å; E140-K143 PolarHBondContact O-N 3.25Å; K143-R145 PolarHBondContact O-N 3.39Å; K143-R146 PolarHBondContact O-N 2.83Å; K143-E147 WeakPolarHBondContact CE-OE1 3.36Å; K143-E147 WeakPolarHBondContact O-CB 3.45Å; K143-E147 WeakPolarHBondContact O-CG 3.03Å; K143-E147 PolarHBondContact O-N 3.16Å
144	A	86.9	Confident	82.9	Confident	59 Å²	59	124.2 Å²	124.2	49%	0.488	53%	0.528	S	S	.	.	H	α-helix	trans	-61.7	-41.9	177	0	0	0	0	0	112	E140 Q141 E147 W148	E140-A144 WeakPolarHBondContact O-CB 3.38Å; E140-A144 PolarHBondContact O-N 3.15Å; Q141-A144 PolarHBondContact O-N 3.03Å; A144-E147 PolarHBondContact O-N 3.01Å; A144-W148 WeakPolarHBondContact O-CB 3.42Å; A144-W148 PolarHBondContact O-N 2.65Å
145	R	83.1	Confident	83.3	Confident	164 Å²	164	122.9 Å²	122.9	62%	0.619	53%	0.529	S	S	*	.	H	α-helix	trans	-58.6	-51.4	173.5	-174.1	-173.2	-68.9	-101.6	4.7	111.4	Q141 K143 E147 W148 E149	Q141-R145 PolarHBondContact O-N 2.86Å; K143-R145 PolarHBondContact O-N 3.39Å; R145-E147 VanDerWaalsContact C-N 3.3Å; R145-E147 PolarHBondContact O-N 3.39Å; R145-W148 PolarHBondContact O-N 3.43Å; R145-E149 PolarHBondContact O-N 3.02Å
146	R	81.8	Confident	83.2	Confident	140 Å²	140	122.9 Å²	122.9	53%	0.528	53%	0.532	S	S	.	.	H	α-helix	trans	-63.5	-32	178.2	-68.9	176.6	-173.4	104.6	9.2	113	D142 K143 R150	D142-R146 VanDerWaalsContact CB-NH1 3.34Å; D142-R146 WeakPolarHBondContact O-CG 3.38Å; D142-R146 PolarHBondContact O-N 2.79Å; D142-R146 VanDerWaalsContact O-N 3.09Å; D142-R146 IonicContact OD2-CZ 3.69Å; D142-R146 IonicContact OD2-NH1 3.76Å; D142-R146 PolarHBondContact OD2-NH1 2.9Å; D142-R146 IonicContact OD2-NH2 3.13Å; D142-R146 PolarHBondContact OD2-NH2 2.98Å; K143-R146 PolarHBondContact O-N 2.83Å; R146-R150 VanDerWaalsContact O-CB 3.26Å; R146-R150 WeakPolarHBondContact O-CB 3.39Å; R146-R150 PolarHBondContact O-N 2.87Å
147	E	85.2	Confident	83.3	Confident	93 Å²	93	119.2 Å²	119.2	44%	0.435	53%	0.531	S	S	.	.	H	α-helix	trans	-75	-38.2	174.3	-77.5	178.7	-166.9	0	0	112.5	K143 A144 R145 R150 Q151	K143-E147 WeakPolarHBondContact CE-OE1 3.36Å; K143-E147 WeakPolarHBondContact O-CB 3.45Å; K143-E147 WeakPolarHBondContact O-CG 3.03Å; K143-E147 PolarHBondContact O-N 3.16Å; A144-E147 PolarHBondContact O-N 3.01Å; R145-E147 VanDerWaalsContact C-N 3.3Å; R145-E147 PolarHBondContact O-N 3.39Å; E147-R150 PolarHBondContact O-N 2.71Å; E147-Q151 WeakPolarHBondContact O-CB 3.47Å; E147-Q151 PolarHBondContact O-N 2.82Å
148	W	88.4	Confident	83.3	Confident	157 Å²	157	121.5 Å²	121.5	60%	0.595	54%	0.535	S	S	*	.	H	α-helix	trans	-63.6	-46.2	173.2	-178.8	88.4	0	0	0	112.2	A144 R145 R150 Q151 K152	A144-W148 WeakPolarHBondContact O-CB 3.42Å; A144-W148 PolarHBondContact O-N 2.65Å; R145-W148 PolarHBondContact O-N 3.43Å; W148-R150 VanDerWaalsContact C-N 3.34Å; W148-R150 PolarHBondContact O-N 3.38Å; W148-Q151 CarbonylContact O-C 3.59Å; W148-Q151 WeakPolarHBondContact O-CA 3.32Å; W148-Q151 WeakPolarHBondContact O-CB 3.37Å; W148-Q151 PolarHBondContact O-N 3.47Å; W148-Q151 VanDerWaalsContact O-N 3.1Å; W148-K152 HydrophobicContact CH2-CD 3.79Å; W148-K152 HydrophobicContact CZ2-CD 4.25Å; W148-K152 HydrophobicContact CZ3-CD 4.02Å; W148-K152 PolarHBondContact O-N 3.24Å
149	E	85	Confident	83.7	Confident	78 Å²	78	117.8 Å²	117.8	36%	0.364	53%	0.525	S	S	.	.	H	α-helix	trans	-60.1	-43	174	-73.8	173.7	-155.3	0	0	112.1	R145 Q151 K152 R153	R145-E149 PolarHBondContact O-N 3.02Å; E149-Q151 VanDerWaalsContact C-N 3.26Å; E149-Q151 PolarHBondContact O-N 2.9Å; E149-K152 PolarHBondContact O-N 3.4Å; E149-R153 WeakPolarHBondContact O-CG 3.37Å; E149-R153 PolarHBondContact O-N 3.34Å
150	R	85.3	Confident	83.9	Confident	127 Å²	127	119 Å²	119	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-62.8	-34.1	175.3	-172.2	-173.8	-63.6	139.5	-1.7	111.6	R146 E147 W148 R154	R146-R150 VanDerWaalsContact O-CB 3.26Å; R146-R150 WeakPolarHBondContact O-CB 3.39Å; R146-R150 PolarHBondContact O-N 2.87Å; E147-R150 PolarHBondContact O-N 2.71Å; W148-R150 VanDerWaalsContact C-N 3.34Å; W148-R150 PolarHBondContact O-N 3.38Å; R150-R154 WeakPolarHBondContact O-CB 3.32Å; R150-R154 WeakPolarHBondContact O-CD 3.27Å; R150-R154 WeakPolarHBondContact O-CG 3.24Å; R150-R154 PolarHBondContact O-N 2.97Å
151	Q	87	Confident	83.9	Confident	123 Å²	123	115.7 Å²	115.7	58%	0.575	52%	0.522	S	S	*	.	H	α-helix	trans	-71.1	-46.9	173.6	-175.9	161.2	-45.6	0	0	111.6	E147 W148 E149 R153 R154 E155	E147-Q151 WeakPolarHBondContact O-CB 3.47Å; E147-Q151 PolarHBondContact O-N 2.82Å; W148-Q151 CarbonylContact O-C 3.59Å; W148-Q151 WeakPolarHBondContact O-CA 3.32Å; W148-Q151 WeakPolarHBondContact O-CB 3.37Å; W148-Q151 PolarHBondContact O-N 3.47Å; W148-Q151 VanDerWaalsContact O-N 3.1Å; E149-Q151 VanDerWaalsContact C-N 3.26Å; E149-Q151 PolarHBondContact O-N 2.9Å; Q151-R153 PolarHBondContact O-N 3Å; Q151-R154 CarbonylContact O-C 3.46Å; Q151-R154 WeakPolarHBondContact O-CA 3.48Å; Q151-R154 WeakPolarHBondContact O-CB 3.5Å; Q151-R154 PolarHBondContact O-N 2.92Å; Q151-E155 PolarHBondContact O-N 3.18Å
152	K	86.4	Confident	84.1	Confident	115 Å²	115	118.5 Å²	118.5	50%	0.5	53%	0.528	S	S	.	.	H	α-helix	trans	-57.8	-44.8	176.2	-169.7	173.7	-179.1	179.6	0	111.9	W148 E149 R154 E155 M156	W148-K152 HydrophobicContact CH2-CD 3.79Å; W148-K152 HydrophobicContact CZ2-CD 4.25Å; W148-K152 HydrophobicContact CZ3-CD 4.02Å; W148-K152 PolarHBondContact O-N 3.24Å; E149-K152 PolarHBondContact O-N 3.4Å; K152-R154 PolarHBondContact O-N 3.18Å; K152-E155 WeakPolarHBondContact O-CB 3.5Å; K152-E155 PolarHBondContact O-N 2.91Å; K152-E155 VanDerWaalsContact O-N 3.14Å; K152-M156 WeakPolarHBondContact O-CG 3.48Å; K152-M156 PolarHBondContact O-N 3.24Å
153	R	81.2	Confident	84.2	Confident	187 Å²	187	122.1 Å²	122.1	71%	0.706	54%	0.536	S	S	*	.	H	α-helix	trans	-61.5	-39	173.4	-69.8	-175.7	-170.9	-162.1	4.2	112.7	E149 Q151 E155 A157	E149-R153 WeakPolarHBondContact O-CG 3.37Å; E149-R153 PolarHBondContact O-N 3.34Å; Q151-R153 PolarHBondContact O-N 3Å; R153-E155 VanDerWaalsContact C-N 3.3Å; R153-E155 PolarHBondContact O-N 2.82Å; R153-A157 WeakPolarHBondContact O-CB 3.35Å; R153-A157 PolarHBondContact O-N 3.46Å; R153-A157 VanDerWaalsContact O-N 3.13Å
154	R	81.8	Confident	84	Confident	152 Å²	152	119.5 Å²	119.5	57%	0.574	53%	0.526	S	S	*	.	H	α-helix	trans	-69.2	-25.8	174.7	-75.3	167.9	170.8	-177.8	-4.4	113.1	R150 Q151 K152 R158	R150-R154 WeakPolarHBondContact O-CB 3.32Å; R150-R154 WeakPolarHBondContact O-CD 3.27Å; R150-R154 WeakPolarHBondContact O-CG 3.24Å; R150-R154 PolarHBondContact O-N 2.97Å; Q151-R154 CarbonylContact O-C 3.46Å; Q151-R154 WeakPolarHBondContact O-CA 3.48Å; Q151-R154 WeakPolarHBondContact O-CB 3.5Å; Q151-R154 PolarHBondContact O-N 2.92Å; K152-R154 PolarHBondContact O-N 3.18Å; R154-R158 WeakPolarHBondContact O-CD 3.35Å; R154-R158 VanDerWaalsContact O-CG 3.27Å; R154-R158 WeakPolarHBondContact O-CG 3.47Å; R154-R158 PolarHBondContact O-N 3.37Å
155	E	85.3	Confident	83.7	Confident	123 Å²	123	124.6 Å²	124.6	58%	0.575	53%	0.533	S	S	*	.	H	α-helix	trans	-78.2	-50.3	177.1	-169.2	145.6	-135.3	0	0	111.2	Q151 K152 R153 A157 R158 E159	Q151-E155 PolarHBondContact O-N 3.18Å; K152-E155 WeakPolarHBondContact O-CB 3.5Å; K152-E155 PolarHBondContact O-N 2.91Å; K152-E155 VanDerWaalsContact O-N 3.14Å; R153-E155 VanDerWaalsContact C-N 3.3Å; R153-E155 PolarHBondContact O-N 2.82Å; E155-A157 VanDerWaalsContact C-N 3.27Å; E155-A157 PolarHBondContact O-N 3.13Å; E155-R158 WeakPolarHBondContact O-CB 3.29Å; E155-R158 PolarHBondContact O-N 3.32Å; E155-E159 PolarHBondContact O-N 3.37Å
156	M	80.9	Confident	83.8	Confident	114 Å²	114	120.7 Å²	120.7	56%	0.562	52%	0.524	S	S	*	.	H	α-helix	trans	-52	-44.3	171.4	-66	-65.8	-70	0	0	112.2	K152 R158 E159 H160	K152-M156 WeakPolarHBondContact O-CG 3.48Å; K152-M156 PolarHBondContact O-N 3.24Å; M156-R158 VanDerWaalsContact C-N 3.34Å; M156-R158 PolarHBondContact O-N 2.97Å; M156-E159 PolarHBondContact O-N 3.3Å; M156-H160 WeakPolarHBondContact O-CB 3.35Å; M156-H160 PolarHBondContact O-N 3.01Å
157	A	81.3	Confident	84.2	Confident	62 Å²	62	121.1 Å²	121.1	51%	0.512	53%	0.525	S	S	.	.	H	α-helix	trans	-64.3	-34.6	177.6	0	0	0	0	0	113.5	R153 E155 S161	R153-A157 WeakPolarHBondContact O-CB 3.35Å; R153-A157 PolarHBondContact O-N 3.46Å; R153-A157 VanDerWaalsContact O-N 3.13Å; E155-A157 VanDerWaalsContact C-N 3.27Å; E155-A157 PolarHBondContact O-N 3.13Å; A157-S161 WeakPolarHBondContact O-CB 3.38Å; A157-S161 PolarHBondContact O-N 2.78Å; A157-S161 VanDerWaalsContact O-N 3.09Å
158	R	83.3	Confident	84.2	Confident	156 Å²	156	122 Å²	122	59%	0.589	53%	0.532	S	S	*	.	H	α-helix	trans	-72.5	-37.5	174.3	-72.7	168.8	-173.9	134.6	-8	111.6	R154 E155 M156 S161 R162	R154-R158 WeakPolarHBondContact O-CD 3.35Å; R154-R158 VanDerWaalsContact O-CG 3.27Å; R154-R158 WeakPolarHBondContact O-CG 3.47Å; R154-R158 PolarHBondContact O-N 3.37Å; E155-R158 WeakPolarHBondContact O-CB 3.29Å; E155-R158 PolarHBondContact O-N 3.32Å; M156-R158 VanDerWaalsContact C-N 3.34Å; M156-R158 PolarHBondContact O-N 2.97Å; R158-S161 CarbonylContact O-C 3.59Å; R158-S161 PolarHBondContact O-N 2.96Å; R158-R162 WeakPolarHBondContact O-CG 3.35Å; R158-R162 PolarHBondContact O-N 2.81Å
159	E	83.6	Confident	84.1	Confident	79 Å²	79	118.5 Å²	118.5	37%	0.369	52%	0.523	S	S	.	.	H	α-helix	trans	-66	-47	177.5	-161.1	-164.8	-161.4	0	0	111.2	E155 M156 S161 R162 R163	E155-E159 PolarHBondContact O-N 3.37Å; M156-E159 PolarHBondContact O-N 3.3Å; E159-S161 VanDerWaalsContact C-N 3.29Å; E159-S161 PolarHBondContact O-N 3.36Å; E159-R162 WeakPolarHBondContact O-CB 3.42Å; E159-R162 PolarHBondContact O-N 3.16Å; E159-R163 PolarHBondContact O-N 3.25Å; E159-R163 IonicContact OE1-CZ 3.2Å; E159-R163 VanDerWaalsContact OE1-CZ 3.29Å; E159-R163 IonicContact OE1-NH1 2.9Å; E159-R163 IonicContact OE1-NH2 3.88Å; E159-R163 PolarHBondContact OE1-NH2 2.93Å; E159-R163 IonicContact OE2-CZ 2.91Å; E159-R163 IonicContact OE2-NH1 2.85Å; E159-R163 PolarHBondContact OE2-NH1 3.32Å; E159-R163 IonicContact OE2-NH2 2.63Å; E159-R163 PolarHBondContact OE2-NH2 2.79Å
160	H	84.4	Confident	84	Confident	125 Å²	125	121.3 Å²	121.3	58%	0.579	54%	0.536	S	S	*	.	H	α-helix	trans	-56.8	-42.4	171.5	-171.3	-64.5	0	0	0	111.8	M156 R162 R163 E164	M156-H160 WeakPolarHBondContact O-CB 3.35Å; M156-H160 PolarHBondContact O-N 3.01Å; H160-R162 PolarHBondContact O-N 3.18Å; H160-R163 PolarHBondContact O-N 3.13Å; H160-E164 PolarHBondContact O-N 2.93Å
161	S	83	Confident	84	Confident	66 Å²	66	119.4 Å²	119.4	46%	0.462	54%	0.535	S	S	.	.	H	α-helix	trans	-68.8	-14.2	175.9	-176.9	0	0	0	0	114.5	A157 R158 E159	A157-S161 WeakPolarHBondContact O-CB 3.38Å; A157-S161 PolarHBondContact O-N 2.78Å; A157-S161 VanDerWaalsContact O-N 3.09Å; R158-S161 CarbonylContact O-C 3.59Å; R158-S161 PolarHBondContact O-N 2.96Å; E159-S161 VanDerWaalsContact C-N 3.29Å; E159-S161 PolarHBondContact O-N 3.36Å
162	R	84.7	Confident	83.9	Confident	175 Å²	175	120.1 Å²	120.1	66%	0.66	54%	0.538	S	S	*	.	H	α-helix	trans	-84	-53.5	167.7	-71	176.9	-178.2	-162.4	1.1	110.2	R158 E159 H160 E164 R165 D166	R158-R162 WeakPolarHBondContact O-CG 3.35Å; R158-R162 PolarHBondContact O-N 2.81Å; E159-R162 WeakPolarHBondContact O-CB 3.42Å; E159-R162 PolarHBondContact O-N 3.16Å; H160-R162 PolarHBondContact O-N 3.18Å; R162-E164 VanDerWaalsContact C-N 3.29Å; R162-E164 PolarHBondContact O-N 3.48Å; R162-R165 WeakPolarHBondContact O-CA 3.45Å; R162-R165 VanDerWaalsContact O-CB 3.31Å; R162-R165 WeakPolarHBondContact O-CB 3.41Å; R162-R165 PolarHBondContact O-N 2.83Å; R162-D166 VanDerWaalsContact O-CG 3.25Å; R162-D166 PolarHBondContact O-N 2.9Å
163	R	83.4	Confident	83.9	Confident	143 Å²	143	121.6 Å²	121.6	54%	0.54	54%	0.541	S	S	.	.	H	α-helix	trans	-50.7	-46	179.1	-69	-177.2	177.6	121.8	1.6	112.8	E159 H160 D166 R167	E159-R163 PolarHBondContact O-N 3.25Å; E159-R163 IonicContact OE1-CZ 3.2Å; E159-R163 VanDerWaalsContact OE1-CZ 3.29Å; E159-R163 IonicContact OE1-NH1 2.9Å; E159-R163 IonicContact OE1-NH2 3.88Å; E159-R163 PolarHBondContact OE1-NH2 2.93Å; E159-R163 IonicContact OE2-CZ 2.91Å; E159-R163 IonicContact OE2-NH1 2.85Å; E159-R163 PolarHBondContact OE2-NH1 3.32Å; E159-R163 IonicContact OE2-NH2 2.63Å; E159-R163 PolarHBondContact OE2-NH2 2.79Å; H160-R163 PolarHBondContact O-N 3.13Å; R163-D166 PolarHBondContact O-N 3.14Å; R163-R167 WeakPolarHBondContact O-CB 3.39Å; R163-R167 PolarHBondContact O-N 3.31Å
164	E	81.3	Confident	84.1	Confident	71 Å²	71	118.7 Å²	118.7	33%	0.332	53%	0.533	S	S	.	.	H	α-helix	trans	-69.7	-30.2	177.3	-81.6	-68.8	108.8	0	0	113.8	H160 R162 R167 L168	H160-E164 PolarHBondContact O-N 2.93Å; R162-E164 VanDerWaalsContact C-N 3.29Å; R162-E164 PolarHBondContact O-N 3.48Å; E164-R167 WeakPolarHBondContact OE1-CD 3.47Å; E164-R167 IonicContact OE1-CZ 3.96Å; E164-R167 IonicContact OE1-NE 3.29Å; E164-R167 IonicContact OE1-NH1 2.64Å; E164-R167 PolarHBondContact OE1-NH1 2.88Å; E164-L168 WeakPolarHBondContact O-CB 3.46Å; E164-L168 VanDerWaalsContact O-CG 3.26Å; E164-L168 WeakPolarHBondContact O-CG 3.37Å; E164-L168 PolarHBondContact O-N 2.58Å
165	R	81.6	Confident	84.3	Confident	167 Å²	167	120.1 Å²	120.1	63%	0.63	54%	0.538	S	S	*	.	H	α-helix	trans	-66.8	-47.7	173	-177.3	-171.7	-57.9	-156.1	-2.2	110.7	R162 R167 L168 E169	R162-R165 WeakPolarHBondContact O-CA 3.45Å; R162-R165 VanDerWaalsContact O-CB 3.31Å; R162-R165 WeakPolarHBondContact O-CB 3.41Å; R162-R165 PolarHBondContact O-N 2.83Å; R165-R167 VanDerWaalsContact C-N 3.28Å; R165-R167 PolarHBondContact O-N 3.15Å; R165-L168 PolarHBondContact O-N 2.99Å; R165-E169 PolarHBondContact O-N 3.45Å
166	D	85.7	Confident	84.3	Confident	81 Å²	81	118.9 Å²	118.9	43%	0.433	53%	0.533	S	S	.	.	H	α-helix	trans	-64.5	-37.8	-177.8	-53.6	-24.9	0	0	0	110.3	R162 R163 E169 Q170	R162-D166 VanDerWaalsContact O-CG 3.25Å; R162-D166 PolarHBondContact O-N 2.9Å; R163-D166 PolarHBondContact O-N 3.14Å; D166-E169 PolarHBondContact O-N 2.93Å; D166-Q170 WeakPolarHBondContact O-CG 3.44Å; D166-Q170 PolarHBondContact O-N 3.08Å
167	R	89.8	Confident	84.5	Confident	150 Å²	150	122.3 Å²	122.3	57%	0.566	54%	0.539	S	S	*	.	H	α-helix	trans	-62.3	-44.1	172	-170	-173.2	-168.6	-177.5	3.8	113	R163 E164 R165 Q170 L171	R163-R167 WeakPolarHBondContact O-CB 3.39Å; R163-R167 PolarHBondContact O-N 3.31Å; E164-R167 WeakPolarHBondContact OE1-CD 3.47Å; E164-R167 IonicContact OE1-CZ 3.96Å; E164-R167 IonicContact OE1-NE 3.29Å; E164-R167 IonicContact OE1-NH1 2.64Å; E164-R167 PolarHBondContact OE1-NH1 2.88Å; R165-R167 VanDerWaalsContact C-N 3.28Å; R165-R167 PolarHBondContact O-N 3.15Å; R167-Q170 PolarHBondContact O-N 2.91Å; R167-L171 PolarHBondContact O-N 3.32Å
168	L	85	Confident	84.7	Confident	111 Å²	111	123.5 Å²	123.5	58%	0.581	53%	0.534	S	S	*	.	H	α-helix	trans	-65.1	-40.3	175.7	-75.8	168.4	0	0	0	111.7	E164 R165 L171 E172	E164-L168 WeakPolarHBondContact O-CB 3.46Å; E164-L168 VanDerWaalsContact O-CG 3.26Å; E164-L168 WeakPolarHBondContact O-CG 3.37Å; E164-L168 PolarHBondContact O-N 2.58Å; R165-L168 PolarHBondContact O-N 2.99Å; L168-L171 WeakPolarHBondContact O-CB 3.47Å; L168-L171 PolarHBondContact O-N 3.38Å; L168-E172 PolarHBondContact O-N 3.17Å
169	E	86.4	Confident	85	Confident	83 Å²	83	124.3 Å²	124.3	39%	0.388	54%	0.537	S	S	.	.	H	α-helix	trans	-66.7	-37.9	177.3	-158.6	-171.4	146.6	0	0	111.8	R165 D166 E172 R173	R165-E169 PolarHBondContact O-N 3.45Å; D166-E169 PolarHBondContact O-N 2.93Å; E169-E172 PolarHBondContact O-N 3.2Å; E169-R173 WeakPolarHBondContact O-CB 3.21Å; E169-R173 WeakPolarHBondContact O-CG 3.34Å; E169-R173 PolarHBondContact O-N 3.45Å; E169-R173 IonicContact OE1-CZ 2.92Å; E169-R173 IonicContact OE1-NE 3.39Å; E169-R173 PolarHBondContact OE1-NE 3.47Å; E169-R173 IonicContact OE1-NH2 2.67Å; E169-R173 PolarHBondContact OE1-NH2 2.85Å
170	Q	82.9	Confident	85.3	Confident	137 Å²	137	125.3 Å²	125.3	64%	0.64	54%	0.54	S	S	*	.	H	α-helix	trans	-62.4	-41.3	171.7	-72.3	177.8	21.5	0	0	112.2	D166 R167 K174	D166-Q170 WeakPolarHBondContact O-CG 3.44Å; D166-Q170 PolarHBondContact O-N 3.08Å; R167-Q170 PolarHBondContact O-N 2.91Å; Q170-K174 WeakPolarHBondContact O-CB 3.28Å; Q170-K174 PolarHBondContact O-N 3.05Å
171	L	85.8	Confident	85.2	Confident	87 Å²	87	124.5 Å²	124.5	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-63.9	-40.1	174.5	-88.6	161.1	0	0	0	112.5	R167 L168 K174 R175	R167-L171 PolarHBondContact O-N 3.32Å; L168-L171 WeakPolarHBondContact O-CB 3.47Å; L168-L171 PolarHBondContact O-N 3.38Å; L171-K174 PolarHBondContact O-N 2.7Å; L171-R175 WeakPolarHBondContact O-CG 3.37Å; L171-R175 PolarHBondContact O-N 3.23Å
172	E	83.9	Confident	85.1	Confident	138 Å²	138	130 Å²	130	65%	0.645	55%	0.549	S	S	*	.	H	α-helix	trans	-66.7	-47.4	175.6	-175.3	162.3	-139.5	0	0	111.5	L168 E169 K174 R175 E176	L168-E172 PolarHBondContact O-N 3.17Å; E169-E172 PolarHBondContact O-N 3.2Å; E172-K174 VanDerWaalsContact C-N 3.25Å; E172-K174 PolarHBondContact O-N 3.4Å; E172-R175 PolarHBondContact O-N 3.05Å; E172-R175 VanDerWaalsContact O-N 3.12Å; E172-E176 PolarHBondContact O-N 3.49Å
173	R	86.7	Confident	85.2	Confident	147 Å²	147	126.4 Å²	126.4	56%	0.555	54%	0.54	S	S	*	.	H	α-helix	trans	-57.7	-35.5	173.3	-70.1	168.7	178.8	-147.6	4.3	112.1	E169 R177	E169-R173 WeakPolarHBondContact O-CB 3.21Å; E169-R173 WeakPolarHBondContact O-CG 3.34Å; E169-R173 PolarHBondContact O-N 3.45Å; E169-R173 IonicContact OE1-CZ 2.92Å; E169-R173 IonicContact OE1-NE 3.39Å; E169-R173 PolarHBondContact OE1-NE 3.47Å; E169-R173 IonicContact OE1-NH2 2.67Å; E169-R173 PolarHBondContact OE1-NH2 2.85Å; R173-R177 VanDerWaalsContact O-CG 3.32Å; R173-R177 WeakPolarHBondContact O-CG 3.25Å; R173-R177 PolarHBondContact O-N 2.65Å
174	K	85.9	Confident	85.3	Confident	125 Å²	125	124.7 Å²	124.7	54%	0.543	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-48.6	173	-175.6	177	176.2	179.8	0	111.7	Q170 L171 E172 E176 R177 E178	Q170-K174 WeakPolarHBondContact O-CB 3.28Å; Q170-K174 PolarHBondContact O-N 3.05Å; L171-K174 PolarHBondContact O-N 2.7Å; E172-K174 VanDerWaalsContact C-N 3.25Å; E172-K174 PolarHBondContact O-N 3.4Å; K174-E176 VanDerWaalsContact C-N 3.28Å; K174-E176 PolarHBondContact O-N 3.18Å; K174-R177 WeakPolarHBondContact O-CB 3.31Å; K174-R177 PolarHBondContact O-N 3.42Å; K174-E178 WeakPolarHBondContact CE-OE1 3.32Å; K174-E178 PolarHBondContact O-N 2.8Å
175	R	86.1	Confident	85.4	Confident	183 Å²	183	126.1 Å²	126.1	69%	0.691	54%	0.544	S	S	*	.	H	α-helix	trans	-60.5	-36.4	176.5	-74.1	173.8	172.7	-179.4	-1.2	112.5	L171 E172 E178 R179	L171-R175 WeakPolarHBondContact O-CG 3.37Å; L171-R175 PolarHBondContact O-N 3.23Å; E172-R175 PolarHBondContact O-N 3.05Å; E172-R175 VanDerWaalsContact O-N 3.12Å; R175-E178 PolarHBondContact O-N 3.41Å; R175-R179 WeakPolarHBondContact O-CB 3.43Å; R175-R179 PolarHBondContact O-N 2.87Å
176	E	85.4	Confident	85.8	Confident	97 Å²	97	124 Å²	124	45%	0.453	54%	0.54	S	S	.	.	H	α-helix	trans	-66.9	-41.1	176.3	-156.6	-145.9	-171.8	0	0	111.9	E172 K174 R179 K180	E172-E176 PolarHBondContact O-N 3.49Å; K174-E176 VanDerWaalsContact C-N 3.28Å; K174-E176 PolarHBondContact O-N 3.18Å; E176-R179 PolarHBondContact O-N 3.05Å; E176-K180 VanDerWaalsContact CD-CE 3.48Å; E176-K180 WeakPolarHBondContact O-CG 3.5Å; E176-K180 PolarHBondContact O-N 3.46Å; E176-K180 WeakPolarHBondContact OE1-CE 3.4Å; E176-K180 IonicContact OE1-NZ 3.32Å; E176-K180 PolarHBondContact OE1-NZ 3.47Å; E176-K180 IonicContact OE2-NZ 2.69Å; E176-K180 PolarHBondContact OE2-NZ 2.9Å
177	R	85.1	Confident	85.8	Confident	185 Å²	185	126 Å²	126	70%	0.698	55%	0.546	S	S	*	.	H	α-helix	trans	-62.3	-46.3	172.7	-71.4	170	179.8	-173	-1	111.8	R173 K174 R179 K180 M181	R173-R177 VanDerWaalsContact O-CG 3.32Å; R173-R177 WeakPolarHBondContact O-CG 3.25Å; R173-R177 PolarHBondContact O-N 2.65Å; K174-R177 WeakPolarHBondContact O-CB 3.31Å; K174-R177 PolarHBondContact O-N 3.42Å; R177-R179 VanDerWaalsContact C-N 3.31Å; R177-R179 PolarHBondContact O-N 2.95Å; R177-K180 PolarHBondContact O-N 3.16Å; R177-M181 WeakPolarHBondContact O-CG 3.49Å; R177-M181 PolarHBondContact O-N 2.9Å
178	E	85.5	Confident	85.5	Confident	88 Å²	88	124.7 Å²	124.7	41%	0.411	55%	0.546	S	S	.	.	H	α-helix	trans	-61.4	-38.6	176.1	-73	174.9	-161	0	0	112.3	K174 R175 M181 R182	K174-E178 WeakPolarHBondContact CE-OE1 3.32Å; K174-E178 PolarHBondContact O-N 2.8Å; R175-E178 PolarHBondContact O-N 3.41Å; E178-M181 PolarHBondContact O-N 3.12Å; E178-R182 WeakPolarHBondContact O-CG 3.49Å; E178-R182 PolarHBondContact O-N 3.01Å
179	R	87.8	Confident	85.4	Confident	173 Å²	173	128.4 Å²	128.4	65%	0.653	55%	0.553	S	S	*	*	H	α-helix	trans	-62.3	-50.2	173.2	-179.9	177.3	172.9	169.4	-0.4	111.4	R175 E176 R177 M181 R182 E183	R175-R179 WeakPolarHBondContact O-CB 3.43Å; R175-R179 PolarHBondContact O-N 2.87Å; E176-R179 PolarHBondContact O-N 3.05Å; R177-R179 VanDerWaalsContact C-N 3.31Å; R177-R179 PolarHBondContact O-N 2.95Å; R179-M181 VanDerWaalsContact C-N 3.31Å; R179-M181 PolarHBondContact O-N 3.28Å; R179-R182 PolarHBondContact O-N 2.85Å; R179-R182 VanDerWaalsContact O-N 3.14Å; R179-E183 WeakPolarHBondContact O-CB 3.38Å; R179-E183 PolarHBondContact O-N 3.18Å
180	K	89.9	Confident	85.5	Confident	100 Å²	100	127.6 Å²	127.6	44%	0.435	55%	0.549	S	S	.	.	H	α-helix	trans	-59.4	-39.5	177.8	-73.3	169.6	-178.6	167.7	0	112	E176 R177 E183 Q184	E176-K180 VanDerWaalsContact CD-CE 3.48Å; E176-K180 WeakPolarHBondContact O-CG 3.5Å; E176-K180 PolarHBondContact O-N 3.46Å; E176-K180 WeakPolarHBondContact OE1-CE 3.4Å; E176-K180 IonicContact OE1-NZ 3.32Å; E176-K180 PolarHBondContact OE1-NZ 3.47Å; E176-K180 IonicContact OE2-NZ 2.69Å; E176-K180 PolarHBondContact OE2-NZ 2.9Å; R177-K180 PolarHBondContact O-N 3.16Å; K180-E183 PolarHBondContact O-N 3.48Å; K180-Q184 WeakPolarHBondContact O-CG 3.3Å; K180-Q184 PolarHBondContact O-N 2.9Å
181	M	84.1	Confident	85.6	Confident	107 Å²	107	125.6 Å²	125.6	53%	0.527	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-43.5	173.7	-72.6	-63.7	-67.2	0	0	112.7	R177 E178 R179 E183 Q185	R177-M181 WeakPolarHBondContact O-CG 3.49Å; R177-M181 PolarHBondContact O-N 2.9Å; E178-M181 PolarHBondContact O-N 3.12Å; R179-M181 VanDerWaalsContact C-N 3.31Å; R179-M181 PolarHBondContact O-N 3.28Å; M181-E183 VanDerWaalsContact C-N 3.32Å; M181-Q185 WeakPolarHBondContact O-CB 3.26Å; M181-Q185 WeakPolarHBondContact O-CG 3.26Å; M181-Q185 PolarHBondContact O-N 3.31Å
182	R	81.2	Confident	85.7	Confident	182 Å²	182	128.4 Å²	128.4	69%	0.687	55%	0.548	S	S	*	.	H	α-helix	trans	-66	-35.2	175.3	-72.2	177.7	-178.5	-165.1	1.6	112.3	E178 R179 K186	E178-R182 WeakPolarHBondContact O-CG 3.49Å; E178-R182 PolarHBondContact O-N 3.01Å; R179-R182 PolarHBondContact O-N 2.85Å; R179-R182 VanDerWaalsContact O-N 3.14Å; R182-K186 WeakPolarHBondContact O-CB 3.45Å; R182-K186 PolarHBondContact O-N 2.95Å
183	E	85.5	Confident	85.9	Confident	100 Å²	100	125.1 Å²	125.1	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-68.3	-48	177.8	-158.9	140.6	-137.8	0	0	110.7	R179 K180 M181 Q185 K186 E187	R179-E183 WeakPolarHBondContact O-CB 3.38Å; R179-E183 PolarHBondContact O-N 3.18Å; K180-E183 PolarHBondContact O-N 3.48Å; M181-E183 VanDerWaalsContact C-N 3.32Å; E183-Q185 PolarHBondContact O-N 2.83Å; E183-K186 WeakPolarHBondContact O-CA 3.42Å; E183-K186 WeakPolarHBondContact O-CB 3.3Å; E183-K186 PolarHBondContact O-N 3.26Å; E183-K186 VanDerWaalsContact O-N 3.07Å; E183-E187 WeakPolarHBondContact O-CG 3.45Å; E183-E187 PolarHBondContact O-N 3.04Å
184	Q	84.8	Confident	85.9	Confident	106 Å²	106	125.1 Å²	125.1	50%	0.495	53%	0.533	S	S	.	.	H	α-helix	trans	-60.2	-40.5	171.8	-73.6	-178.6	-10.1	0	0	113	K180 K186 E187 Q188	K180-Q184 WeakPolarHBondContact O-CG 3.3Å; K180-Q184 PolarHBondContact O-N 2.9Å; Q184-K186 VanDerWaalsContact C-N 3.29Å; Q184-K186 PolarHBondContact O-N 3.38Å; Q184-E187 PolarHBondContact O-N 2.63Å; Q184-Q188 WeakPolarHBondContact O-CB 3.43Å; Q184-Q188 WeakPolarHBondContact O-CG 3.3Å; Q184-Q188 PolarHBondContact O-N 2.85Å
185	Q	84.9	Confident	86	Confident	101 Å²	101	124 Å²	124	47%	0.472	53%	0.529	S	S	.	.	H	α-helix	trans	-64.1	-33.6	174.2	-76.7	-178.2	6.2	0	0	112.6	M181 E183 R189	M181-Q185 WeakPolarHBondContact O-CB 3.26Å; M181-Q185 WeakPolarHBondContact O-CG 3.26Å; M181-Q185 PolarHBondContact O-N 3.31Å; E183-Q185 PolarHBondContact O-N 2.83Å; Q185-R189 VanDerWaalsContact O-CG 3.27Å; Q185-R189 WeakPolarHBondContact O-CG 3.46Å; Q185-R189 PolarHBondContact O-N 3.3Å
186	K	88.7	Confident	86.1	Confident	124 Å²	124	121.9 Å²	121.9	54%	0.539	52%	0.522	S	S	.	.	H	α-helix	trans	-70.2	-45	174	179.3	177.2	173.6	-68.3	0	111	R182 E183 Q184 R189 E190	R182-K186 WeakPolarHBondContact O-CB 3.45Å; R182-K186 PolarHBondContact O-N 2.95Å; E183-K186 WeakPolarHBondContact O-CA 3.42Å; E183-K186 WeakPolarHBondContact O-CB 3.3Å; E183-K186 PolarHBondContact O-N 3.26Å; E183-K186 VanDerWaalsContact O-N 3.07Å; Q184-K186 VanDerWaalsContact C-N 3.29Å; Q184-K186 PolarHBondContact O-N 3.38Å; K186-R189 PolarHBondContact O-N 3.4Å; K186-E190 IonicContact NZ-OE1 3.69Å; K186-E190 PolarHBondContact NZ-OE1 2.97Å; K186-E190 PolarHBondContact O-N 3.45Å
187	E	86.4	Confident	86.1	Confident	122 Å²	122	122 Å²	122	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-60.5	-44.5	175.2	-70.7	-177.5	146.4	0	0	112	E183 Q184 R189 E190 Q191	E183-E187 WeakPolarHBondContact O-CG 3.45Å; E183-E187 PolarHBondContact O-N 3.04Å; Q184-E187 PolarHBondContact O-N 2.63Å; E187-R189 VanDerWaalsContact C-N 3.3Å; E187-R189 PolarHBondContact O-N 3.33Å; E187-E190 PolarHBondContact O-N 3.47Å; E187-Q191 VanDerWaalsContact O-CB 3.26Å; E187-Q191 WeakPolarHBondContact O-CB 3.45Å; E187-Q191 PolarHBondContact O-N 2.85Å
188	Q	84.2	Confident	86.1	Confident	122 Å²	122	115.4 Å²	115.4	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-61.9	-34.8	174.7	-73.6	-177	12.5	0	0	113	Q184 K192	Q184-Q188 WeakPolarHBondContact O-CB 3.43Å; Q184-Q188 WeakPolarHBondContact O-CG 3.3Å; Q184-Q188 PolarHBondContact O-N 2.85Å; Q188-K192 WeakPolarHBondContact O-CB 3.46Å; Q188-K192 WeakPolarHBondContact O-CG 3.44Å; Q188-K192 PolarHBondContact O-N 2.85Å; Q188-K192 VanDerWaalsContact O-N 3.07Å
189	R	83.1	Confident	86.2	Confident	189 Å²	189	115.9 Å²	115.9	71%	0.713	51%	0.505	S	S	*	.	H	α-helix	trans	-69.4	-43.9	174.1	-74.3	172.1	-175.6	-153.3	2	111.5	Q185 K186 E187 K192 E193	Q185-R189 VanDerWaalsContact O-CG 3.27Å; Q185-R189 WeakPolarHBondContact O-CG 3.46Å; Q185-R189 PolarHBondContact O-N 3.3Å; K186-R189 PolarHBondContact O-N 3.4Å; E187-R189 VanDerWaalsContact C-N 3.3Å; E187-R189 PolarHBondContact O-N 3.33Å; R189-K192 PolarHBondContact O-N 3Å; R189-E193 WeakPolarHBondContact O-CB 3.21Å; R189-E193 PolarHBondContact O-N 3.03Å
190	E	87.4	Confident	86	Confident	66 Å²	66	113.4 Å²	113.4	31%	0.308	50%	0.501	S	S	.	.	H	α-helix	trans	-64.8	-38.8	175.1	-75.5	-174.7	-144.7	0	0	112.4	K186 E187 E193 R194	K186-E190 IonicContact NZ-OE1 3.69Å; K186-E190 PolarHBondContact NZ-OE1 2.97Å; K186-E190 PolarHBondContact O-N 3.45Å; E187-E190 PolarHBondContact O-N 3.47Å; E190-E193 PolarHBondContact O-N 2.89Å; E190-R194 WeakPolarHBondContact O-CB 3.38Å; E190-R194 VanDerWaalsContact O-CG 3.22Å; E190-R194 WeakPolarHBondContact O-CG 3.13Å; E190-R194 PolarHBondContact O-N 3.11Å; E190-R194 IonicContact OE2-NH2 2.69Å; E190-R194 PolarHBondContact OE2-NH2 3.31Å; E190-R194 VanDerWaalsContact OE2-NH2 3.14Å
191	Q	85.7	Confident	85.7	Confident	95 Å²	95	114.6 Å²	114.6	44%	0.444	50%	0.503	S	S	.	.	H	α-helix	trans	-60.1	-52.8	175.4	-175.8	67.6	14.8	0	0	110.6	E187 E193 R194 E195	E187-Q191 VanDerWaalsContact O-CB 3.26Å; E187-Q191 WeakPolarHBondContact O-CB 3.45Å; E187-Q191 PolarHBondContact O-N 2.85Å; Q191-E193 VanDerWaalsContact C-N 3.27Å; Q191-E193 PolarHBondContact O-N 3.04Å; Q191-R194 WeakPolarHBondContact O-CB 3.42Å; Q191-R194 PolarHBondContact O-N 3.45Å; Q191-R194 VanDerWaalsContact O-N 3.12Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.5Å; Q191-E195 PolarHBondContact NE2-OE1 3.24Å; Q191-E195 WeakPolarHBondContact O-CG 3.49Å; Q191-E195 PolarHBondContact O-N 3.41Å
192	K	88.4	Confident	85.7	Confident	147 Å²	147	117 Å²	117	64%	0.639	51%	0.506	S	S	*	.	H	α-helix	trans	-59.7	-34.5	175.2	-73.9	179	177.3	-177	0	112.8	Q188 R189 R196	Q188-K192 WeakPolarHBondContact O-CB 3.46Å; Q188-K192 WeakPolarHBondContact O-CG 3.44Å; Q188-K192 PolarHBondContact O-N 2.85Å; Q188-K192 VanDerWaalsContact O-N 3.07Å; R189-K192 PolarHBondContact O-N 3Å; K192-R196 WeakPolarHBondContact O-CB 3.22Å; K192-R196 PolarHBondContact O-N 2.95Å
193	E	87.1	Confident	85.9	Confident	68 Å²	68	114 Å²	114	32%	0.318	50%	0.498	S	S	.	.	H	α-helix	trans	-74.7	-33.3	176.2	-149.3	-161.6	-166.9	0	0	113	R189 E190 Q191 R196 R197	R189-E193 WeakPolarHBondContact O-CB 3.21Å; R189-E193 PolarHBondContact O-N 3.03Å; E190-E193 PolarHBondContact O-N 2.89Å; Q191-E193 VanDerWaalsContact C-N 3.27Å; Q191-E193 PolarHBondContact O-N 3.04Å; E193-R196 IonicContact OE1-NH2 3.15Å; E193-R196 PolarHBondContact OE1-NH2 3.28Å; E193-R197 WeakPolarHBondContact O-CB 3.41Å; E193-R197 WeakPolarHBondContact O-CG 3.36Å; E193-R197 PolarHBondContact O-N 3.42Å; E193-R197 IonicContact OE1-CZ 2.93Å; E193-R197 IonicContact OE1-NH1 2.64Å; E193-R197 IonicContact OE1-NH2 3.83Å; E193-R197 PolarHBondContact OE1-NH2 3.27Å; E193-R197 IonicContact OE2-CZ 3.91Å; E193-R197 IonicContact OE2-NH1 3.97Å; E193-R197 PolarHBondContact OE2-NH1 2.91Å; E193-R197 IonicContact OE2-NH2 2.73Å; E193-R197 PolarHBondContact OE2-NH2 3.49Å
194	R	87.4	Confident	85.6	Confident	148 Å²	148	113.7 Å²	113.7	56%	0.558	50%	0.496	S	S	*	.	H	α-helix	trans	-66.4	-41.2	171.4	-72.1	168.4	-166	-171.1	8.7	111	E190 Q191 R197 A198	E190-R194 WeakPolarHBondContact O-CB 3.38Å; E190-R194 VanDerWaalsContact O-CG 3.22Å; E190-R194 WeakPolarHBondContact O-CG 3.13Å; E190-R194 PolarHBondContact O-N 3.11Å; E190-R194 IonicContact OE2-NH2 2.69Å; E190-R194 PolarHBondContact OE2-NH2 3.31Å; E190-R194 VanDerWaalsContact OE2-NH2 3.14Å; Q191-R194 WeakPolarHBondContact O-CB 3.42Å; Q191-R194 PolarHBondContact O-N 3.45Å; Q191-R194 VanDerWaalsContact O-N 3.12Å; R194-R197 PolarHBondContact O-N 3.31Å; R194-A198 WeakPolarHBondContact O-CB 3.4Å; R194-A198 PolarHBondContact O-N 2.9Å
195	E	86.5	Confident	85.4	Confident	100 Å²	100	117 Å²	117	47%	0.467	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-49.7	174.1	-74.8	163.5	-172	0	0	111.2	Q191 R197 A198 E199	Q191-E195 WeakPolarHBondContact CG-OE1 3.5Å; Q191-E195 PolarHBondContact NE2-OE1 3.24Å; Q191-E195 WeakPolarHBondContact O-CG 3.49Å; Q191-E195 PolarHBondContact O-N 3.41Å; E195-R197 VanDerWaalsContact C-N 3.35Å; E195-R197 PolarHBondContact O-N 3.06Å; E195-A198 CarbonylContact O-C 3.28Å; E195-A198 WeakPolarHBondContact O-CA 3.47Å; E195-A198 WeakPolarHBondContact O-CB 3.48Å; E195-A198 PolarHBondContact O-N 3.26Å; E195-E199 PolarHBondContact O-N 3.01Å
196	R	88.3	Confident	85	Confident	140 Å²	140	115.8 Å²	115.8	53%	0.528	50%	0.498	S	S	.	.	H	α-helix	trans	-54.7	-47.9	174.2	-168.6	-173	72.8	-149.5	-8.2	111.8	K192 E193 A198 E199 E200	K192-R196 WeakPolarHBondContact O-CB 3.22Å; K192-R196 PolarHBondContact O-N 2.95Å; E193-R196 IonicContact OE1-NH2 3.15Å; E193-R196 PolarHBondContact OE1-NH2 3.28Å; R196-A198 VanDerWaalsContact C-N 3.25Å; R196-A198 PolarHBondContact O-N 3.47Å; R196-E199 PolarHBondContact O-N 3.47Å; R196-E200 VanDerWaalsContact O-CB 3.25Å; R196-E200 WeakPolarHBondContact O-CB 3.42Å; R196-E200 PolarHBondContact O-N 3.24Å
197	R	85.6	Confident	84.3	Confident	100 Å²	100	112 Å²	112	38%	0.377	49%	0.49	S	S	.	.	H	α-helix	trans	-65.1	-25.6	175.8	-72.5	-171.9	-172	95.3	1	113.3	E193 R194 E195 R201	E193-R197 WeakPolarHBondContact O-CB 3.41Å; E193-R197 WeakPolarHBondContact O-CG 3.36Å; E193-R197 PolarHBondContact O-N 3.42Å; E193-R197 IonicContact OE1-CZ 2.93Å; E193-R197 IonicContact OE1-NH1 2.64Å; E193-R197 IonicContact OE1-NH2 3.83Å; E193-R197 PolarHBondContact OE1-NH2 3.27Å; E193-R197 IonicContact OE2-CZ 3.91Å; E193-R197 IonicContact OE2-NH1 3.97Å; E193-R197 PolarHBondContact OE2-NH1 2.91Å; E193-R197 IonicContact OE2-NH2 2.73Å; E193-R197 PolarHBondContact OE2-NH2 3.49Å; R194-R197 PolarHBondContact O-N 3.31Å; E195-R197 VanDerWaalsContact C-N 3.35Å; E195-R197 PolarHBondContact O-N 3.06Å; R197-R201 WeakPolarHBondContact O-CG 3.39Å; R197-R201 PolarHBondContact O-N 2.93Å; R197-R201 PolarHBondContact O-NE 2.84Å; R197-R201 PolarHBondContact O-NH1 2.63Å
198	A	86.5	Confident	83.6	Confident	45 Å²	45	114.2 Å²	114.2	37%	0.372	49%	0.493	S	S	.	.	H	α-helix	trans	-79.2	-39.3	175.9	0	0	0	0	0	111.9	R194 E195 R196 R201 R202	R194-A198 WeakPolarHBondContact O-CB 3.4Å; R194-A198 PolarHBondContact O-N 2.9Å; E195-A198 CarbonylContact O-C 3.28Å; E195-A198 WeakPolarHBondContact O-CA 3.47Å; E195-A198 WeakPolarHBondContact O-CB 3.48Å; E195-A198 PolarHBondContact O-N 3.26Å; R196-A198 VanDerWaalsContact C-N 3.25Å; R196-A198 PolarHBondContact O-N 3.47Å; A198-R201 PolarHBondContact O-N 2.85Å; A198-R202 PolarHBondContact O-N 3.43Å
199	E	86.3	Confident	82.9	Confident	99 Å²	99	117.2 Å²	117.2	46%	0.463	50%	0.499	S	S	.	.	H	α-helix	trans	-65.4	-41.7	172.6	-164.4	-164.2	160.9	0	0	111.5	E195 R196 R202 K203	E195-E199 PolarHBondContact O-N 3.01Å; R196-E199 PolarHBondContact O-N 3.47Å; E199-R202 CarbonylContact O-C 3.42Å; E199-R202 WeakPolarHBondContact O-CA 3.33Å; E199-R202 WeakPolarHBondContact O-CB 3.43Å; E199-R202 PolarHBondContact O-N 3.22Å; E199-K203 WeakPolarHBondContact O-CG 3.49Å; E199-K203 PolarHBondContact O-N 3.35Å; E199-K203 WeakPolarHBondContact OE1-CE 3.42Å; E199-K203 IonicContact OE1-NZ 2.81Å; E199-K203 PolarHBondContact OE1-NZ 3.26Å
200	E	84.6	Confident	82	Confident	121 Å²	121	114.1 Å²	114.1	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-58	-50.1	173.4	-175.6	172.8	-146.9	0	0	111.5	R196 R202 K203 E204	R196-E200 VanDerWaalsContact O-CB 3.25Å; R196-E200 WeakPolarHBondContact O-CB 3.42Å; R196-E200 PolarHBondContact O-N 3.24Å; E200-R202 VanDerWaalsContact C-N 3.25Å; E200-R202 PolarHBondContact O-N 2.99Å; E200-K203 PolarHBondContact O-N 2.84Å; E200-E204 PolarHBondContact O-N 3.21Å
201	R	83.4	Confident	80.8	Confident	125 Å²	125	115.7 Å²	115.7	47%	0.472	51%	0.507	S	S	.	.	H	α-helix	trans	-64	-25.7	172	-73.3	-174.9	-57.4	-95.3	-0.7	113.8	R197 A198 R205	R197-R201 WeakPolarHBondContact O-CG 3.39Å; R197-R201 PolarHBondContact O-N 2.93Å; R197-R201 PolarHBondContact O-NE 2.84Å; R197-R201 PolarHBondContact O-NH1 2.63Å; A198-R201 PolarHBondContact O-N 2.85Å; R201-R205 WeakPolarHBondContact O-CD 3.38Å; R201-R205 VanDerWaalsContact O-CG 3.23Å; R201-R205 WeakPolarHBondContact O-CG 3.36Å; R201-R205 PolarHBondContact O-N 3.47Å
202	R	83.6	Confident	79.5	Confident	158 Å²	158	114.7 Å²	114.7	60%	0.596	51%	0.51	S	S	*	.	H	α-helix	trans	-71.5	-51.2	172.5	175.1	-174.7	158.5	174.8	-2.5	109.8	A198 E199 E200 E204 R205 E206	A198-R202 PolarHBondContact O-N 3.43Å; E199-R202 CarbonylContact O-C 3.42Å; E199-R202 WeakPolarHBondContact O-CA 3.33Å; E199-R202 WeakPolarHBondContact O-CB 3.43Å; E199-R202 PolarHBondContact O-N 3.22Å; E200-R202 VanDerWaalsContact C-N 3.25Å; E200-R202 PolarHBondContact O-N 2.99Å; R202-E204 VanDerWaalsContact C-N 3.28Å; R202-E204 PolarHBondContact O-N 3.35Å; R202-R205 CarbonylContact O-C 3.59Å; R202-R205 WeakPolarHBondContact O-CA 3.41Å; R202-R205 WeakPolarHBondContact O-CB 3.45Å; R202-R205 PolarHBondContact O-N 3.11Å; R202-E206 IonicContact CZ-OE2 2.78Å; R202-E206 IonicContact NE-OE2 3.7Å; R202-E206 PolarHBondContact NE-OE2 3.36Å; R202-E206 VanDerWaalsContact NE-OE2 3.13Å; R202-E206 IonicContact NH2-OE1 3.95Å; R202-E206 IonicContact NH2-OE2 3.83Å; R202-E206 WeakPolarHBondContact O-CB 3.39Å; R202-E206 PolarHBondContact O-N 3.33Å
203	K	85.3	Confident	78	Confident	119 Å²	119	110.1 Å²	110.1	52%	0.517	50%	0.5	S	S	.	.	H	α-helix	trans	-58.5	-38.7	177.1	-71	175	-176.6	170.1	0	111.7	E199 E200 R205 E206 A207	E199-K203 WeakPolarHBondContact O-CG 3.49Å; E199-K203 PolarHBondContact O-N 3.35Å; E199-K203 WeakPolarHBondContact OE1-CE 3.42Å; E199-K203 IonicContact OE1-NZ 2.81Å; E199-K203 PolarHBondContact OE1-NZ 3.26Å; E200-K203 PolarHBondContact O-N 2.84Å; K203-R205 PolarHBondContact O-N 3.23Å; K203-E206 WeakPolarHBondContact O-CB 3.23Å; K203-E206 PolarHBondContact O-N 2.95Å; K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 3.2Å
204	E	79.6	Confident	76.6	Confident	92 Å²	92	113.2 Å²	113.2	43%	0.43	51%	0.514	S	S	.	.	H	α-helix	trans	-61.3	-41.7	172.8	-161.9	-147.8	152.4	0	0	112.3	E200 R202 E206 R208	E200-E204 PolarHBondContact O-N 3.21Å; R202-E204 VanDerWaalsContact C-N 3.28Å; R202-E204 PolarHBondContact O-N 3.35Å; E204-E206 VanDerWaalsContact C-N 3.35Å; E204-R208 WeakPolarHBondContact O-CB 3.48Å; E204-R208 WeakPolarHBondContact O-CG 3.19Å; E204-R208 PolarHBondContact O-N 3.45Å; E204-R208 IonicContact OE1-CZ 3.23Å; E204-R208 IonicContact OE1-NE 3.16Å; E204-R208 PolarHBondContact OE1-NE 3.27Å; E204-R208 IonicContact OE1-NH2 2.7Å; E204-R208 PolarHBondContact OE1-NH2 3.49Å
205	R	79.6	Confident	75.1	Confident	176 Å²	176	112.7 Å²	112.7	66%	0.664	52%	0.518	S	S	*	.	H	α-helix	trans	-70.3	-30.4	174.9	-71.7	168.2	176.2	-164.1	-2.7	112.8	R201 R202 K203 R209	R201-R205 WeakPolarHBondContact O-CD 3.38Å; R201-R205 VanDerWaalsContact O-CG 3.23Å; R201-R205 WeakPolarHBondContact O-CG 3.36Å; R201-R205 PolarHBondContact O-N 3.47Å; R202-R205 CarbonylContact O-C 3.59Å; R202-R205 WeakPolarHBondContact O-CA 3.41Å; R202-R205 WeakPolarHBondContact O-CB 3.45Å; R202-R205 PolarHBondContact O-N 3.11Å; K203-R205 PolarHBondContact O-N 3.23Å; R205-R209 VanDerWaalsContact O-CG 3.28Å; R205-R209 WeakPolarHBondContact O-CG 3.46Å; R205-R209 PolarHBondContact O-N 2.91Å; R205-R209 VanDerWaalsContact O-N 3.16Å
206	E	77.6	Confident	73.5	Confident	75 Å²	75	116.3 Å²	116.3	35%	0.35	53%	0.527	S	S	.	.	H	α-helix	trans	-70.4	-52.5	177	-145.6	132.6	-148	0	0	109.2	R202 K203 E204 R208 R209 E210	R202-E206 IonicContact CZ-OE2 2.78Å; R202-E206 IonicContact NE-OE2 3.7Å; R202-E206 PolarHBondContact NE-OE2 3.36Å; R202-E206 VanDerWaalsContact NE-OE2 3.13Å; R202-E206 IonicContact NH2-OE1 3.95Å; R202-E206 IonicContact NH2-OE2 3.83Å; R202-E206 WeakPolarHBondContact O-CB 3.39Å; R202-E206 PolarHBondContact O-N 3.33Å; K203-E206 WeakPolarHBondContact O-CB 3.23Å; K203-E206 PolarHBondContact O-N 2.95Å; E204-E206 VanDerWaalsContact C-N 3.35Å; E206-R208 PolarHBondContact O-N 3.13Å; E206-R209 CarbonylContact O-C 3.56Å; E206-R209 WeakPolarHBondContact O-CA 3.49Å; E206-R209 VanDerWaalsContact O-CB 3.31Å; E206-R209 WeakPolarHBondContact O-CB 3.47Å; E206-R209 PolarHBondContact O-N 2.86Å; E206-E210 PolarHBondContact O-N 3.12Å
207	A	74.1	Confident	71.9	Confident	44 Å²	44	114.1 Å²	114.1	36%	0.364	53%	0.529	S	S	.	.	H	α-helix	trans	-58.9	-41	173	0	0	0	0	0	113.1	K203 R209 E210 V211	K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 3.2Å; A207-R209 PolarHBondContact O-N 2.88Å; A207-E210 PolarHBondContact O-N 3.13Å; A207-V211 WeakPolarHBondContact O-CG2 3.24Å; A207-V211 PolarHBondContact O-N 3.31Å
208	R	71.4	Confident	70.3	Confident	170 Å²	170	117 Å²	117	64%	0.642	55%	0.549	S	S	*	.	H	α-helix	trans	-61.6	-30.5	172.6	-76.9	173.6	-176.3	-107.8	9.6	112.7	E204 E206 S212	E204-R208 WeakPolarHBondContact O-CB 3.48Å; E204-R208 WeakPolarHBondContact O-CG 3.19Å; E204-R208 PolarHBondContact O-N 3.45Å; E204-R208 IonicContact OE1-CZ 3.23Å; E204-R208 IonicContact OE1-NE 3.16Å; E204-R208 PolarHBondContact OE1-NE 3.27Å; E204-R208 IonicContact OE1-NH2 2.7Å; E204-R208 PolarHBondContact OE1-NH2 3.49Å; E206-R208 PolarHBondContact O-N 3.13Å; R208-S212 VanDerWaalsContact O-CB 3.29Å; R208-S212 WeakPolarHBondContact O-CB 3.34Å; R208-S212 PolarHBondContact O-N 2.98Å; R208-S212 VanDerWaalsContact O-N 3.1Å
209	R	70.6	Confident	68.5	Low	184 Å²	184	124.7 Å²	124.7	69%	0.694	57%	0.568	S	S	*	*	H	α-helix	trans	-76.1	-40.2	173.8	-75.6	166.5	172.3	-179.4	-4.1	111.8	R205 E206 A207 S212 A213	R205-R209 VanDerWaalsContact O-CG 3.28Å; R205-R209 WeakPolarHBondContact O-CG 3.46Å; R205-R209 PolarHBondContact O-N 2.91Å; R205-R209 VanDerWaalsContact O-N 3.16Å; E206-R209 CarbonylContact O-C 3.56Å; E206-R209 WeakPolarHBondContact O-CA 3.49Å; E206-R209 VanDerWaalsContact O-CB 3.31Å; E206-R209 WeakPolarHBondContact O-CB 3.47Å; E206-R209 PolarHBondContact O-N 2.86Å; A207-R209 PolarHBondContact O-N 2.88Å; R209-S212 CarbonylContact O-C 3.54Å; R209-S212 PolarHBondContact O-N 3.44Å; R209-A213 WeakPolarHBondContact O-CB 3.44Å; R209-A213 PolarHBondContact O-N 3.11Å
210	E	64.1	Low	66.5	Low	124 Å²	124	127.2 Å²	127.2	58%	0.579	58%	0.58	S	S	*	*	H	α-helix	trans	-62.6	-46.1	175.3	-68.4	172.7	153.5	0	0	111.4	E206 A207 S212 A213 H214	E206-E210 PolarHBondContact O-N 3.12Å; A207-E210 PolarHBondContact O-N 3.13Å; E210-S212 VanDerWaalsContact C-N 3.32Å; E210-S212 PolarHBondContact O-N 3.35Å; E210-A213 WeakPolarHBondContact O-CB 3.47Å; E210-A213 PolarHBondContact O-N 2.86Å; E210-A213 VanDerWaalsContact O-N 3.11Å; E210-H214 PolarHBondContact O-CD2 3.1Å; E210-H214 PolarHBondContact O-N 3.39Å
211	V	61.2	Low	64.6	Low	100 Å²	100	128.6 Å²	128.6	61%	0.606	59%	0.591	S	S	*	*	H	α-helix	trans	-59.2	-43.1	171.9	171.9	0	0	0	0	110.9	A207 A213 H214 H215	A207-V211 WeakPolarHBondContact O-CG2 3.24Å; A207-V211 PolarHBondContact O-N 3.31Å; V211-A213 VanDerWaalsContact C-N 3.3Å; V211-A213 PolarHBondContact O-N 3.35Å; V211-H214 PolarHBondContact O-N 3.34Å; V211-H215 WeakPolarHBondContact O-CB 3.46Å; V211-H215 PolarHBondContact O-N 3.49Å
212	S	57.5	Low	62.6	Low	73 Å²	73	133.6 Å²	133.6	51%	0.51	61%	0.612	S	S	.	*	H	α-helix	trans	-68.6	-25.6	176.3	-171.4	0	0	0	0	113.8	R208 R209 E210 R216	R208-S212 VanDerWaalsContact O-CB 3.29Å; R208-S212 WeakPolarHBondContact O-CB 3.34Å; R208-S212 PolarHBondContact O-N 2.98Å; R208-S212 VanDerWaalsContact O-N 3.1Å; R209-S212 CarbonylContact O-C 3.54Å; R209-S212 PolarHBondContact O-N 3.44Å; E210-S212 VanDerWaalsContact C-N 3.32Å; E210-S212 PolarHBondContact O-N 3.35Å; S212-R216 PolarHBondContact O-N 2.87Å
213	A	57.7	Low	60.3	Low	51 Å²	51	129.6 Å²	129.6	42%	0.421	62%	0.619	S	S	.	*	H	α-helix	trans	-77.2	-46.3	175.2	0	0	0	0	0	110.7	R209 E210 V211 H215 R216 T217	R209-A213 WeakPolarHBondContact O-CB 3.44Å; R209-A213 PolarHBondContact O-N 3.11Å; E210-A213 WeakPolarHBondContact O-CB 3.47Å; E210-A213 PolarHBondContact O-N 2.86Å; E210-A213 VanDerWaalsContact O-N 3.11Å; V211-A213 VanDerWaalsContact C-N 3.3Å; V211-A213 PolarHBondContact O-N 3.35Å; A213-H215 PolarHBondContact O-N 2.59Å; A213-R216 WeakPolarHBondContact O-CA 3.43Å; A213-R216 WeakPolarHBondContact O-CB 3.48Å; A213-R216 PolarHBondContact O-N 2.82Å; A213-T217 PolarHBondContact O-N 3.46Å; A213-T217 PolarHBondContact O-OG1 2.89Å
214	H	57.3	Low	57.9	Low	133 Å²	133	129.4 Å²	129.4	62%	0.616	62%	0.624	S	S	*	*	H	α-helix	trans	-55.6	-39	169.7	-90.2	-77.7	0	0	0	112.1	E210 V211 R216 T217 M218	E210-H214 PolarHBondContact O-CD2 3.1Å; E210-H214 PolarHBondContact O-N 3.39Å; V211-H214 PolarHBondContact O-N 3.34Å; H214-R216 VanDerWaalsContact C-N 3.27Å; H214-R216 PolarHBondContact O-N 2.88Å; H214-T217 PolarHBondContact O-OG1 3.49Å; H214-M218 WeakPolarHBondContact O-CB 3.34Å; H214-M218 VanDerWaalsContact O-CG 3.31Å; H214-M218 WeakPolarHBondContact O-CG 3.2Å; H214-M218 PolarHBondContact O-N 3.03Å; H214-M218 VanDerWaalsContact O-N 3.11Å
215	H	56.4	Low	55.9	Low	137 Å²	137	133.5 Å²	133.5	63%	0.634	64%	0.641	S	S	*	*	H	α-helix	trans	-74.2	-17	177.2	-137.8	-20.6	0	0	0	113.7	V211 A213	V211-H215 WeakPolarHBondContact O-CB 3.46Å; V211-H215 PolarHBondContact O-N 3.49Å; A213-H215 PolarHBondContact O-N 2.59Å
216	R	53.8	Low	53.7	Low	176 Å²	176	129.9 Å²	129.9	66%	0.664	64%	0.638	S	S	*	*	H	α-helix	trans	-85.2	-44.3	172.7	-177.5	177.6	-72.4	-171.5	-4.3	111.7	S212 A213 H214 M218 R219	S212-R216 PolarHBondContact O-N 2.87Å; A213-R216 WeakPolarHBondContact O-CA 3.43Å; A213-R216 WeakPolarHBondContact O-CB 3.48Å; A213-R216 PolarHBondContact O-N 2.82Å; H214-R216 VanDerWaalsContact C-N 3.27Å; H214-R216 PolarHBondContact O-N 2.88Å; R216-M218 VanDerWaalsContact C-N 3.28Å; R216-M218 PolarHBondContact O-N 3.04Å; R216-R219 WeakPolarHBondContact O-CA 3.29Å; R216-R219 PolarHBondContact O-N 2.68Å
217	T	54.1	Low	51.7	Low	94 Å²	94	135.8 Å²	135.8	58%	0.577	66%	0.662	S	S	*	*	H	α-helix	trans	-64.2	-34.2	176.2	53.6	0	0	0	0	111.9	A213 H214 R219	A213-T217 PolarHBondContact O-N 3.46Å; A213-T217 PolarHBondContact O-OG1 2.89Å; H214-T217 PolarHBondContact O-OG1 3.49Å; T217-R219 PolarHBondContact O-N 3.5Å
218	M	51.2	Low	49.7	Very low	160 Å²	160	138.4 Å²	138.4	79%	0.788	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	6	168.8	-76.9	-73.8	-172.9	0	0	115.1	H214 R216	H214-M218 WeakPolarHBondContact O-CB 3.34Å; H214-M218 VanDerWaalsContact O-CG 3.31Å; H214-M218 WeakPolarHBondContact O-CG 3.2Å; H214-M218 PolarHBondContact O-N 3.03Å; H214-M218 VanDerWaalsContact O-N 3.11Å; R216-M218 VanDerWaalsContact C-N 3.28Å; R216-M218 PolarHBondContact O-N 3.04Å
219	R	48.3	Very low	47.8	Very low	207 Å²	207	135.1 Å²	135.1	78%	0.781	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.6	12.7	-174	-152.2	178.1	-179	-86.6	0.5	114.4	R216 T217	R216-R219 WeakPolarHBondContact O-CA 3.29Å; R216-R219 PolarHBondContact O-N 2.68Å; T217-R219 PolarHBondContact O-N 3.5Å
220	E	44.7	Very low	46	Very low	153 Å²	153	134.9 Å²	134.9	72%	0.715	69%	0.693	S	S	*	*	S	Bend	trans	-102.4	-11.4	173.8	-70.9	-179.4	155.4	0	0	113
221	D	44.2	Very low	44.4	Very low	149 Å²	149	140.2 Å²	140.2	80%	0.797	71%	0.708	S	S	*	*	S	Bend	trans	-91	115.7	166.4	-116.8	-22.9	0	0	0	110.8
222	Y	42.9	Very low	43	Very low	231 Å²	231	141.5 Å²	141.5	91%	0.906	72%	0.722	S	S	*	*	S	Bend	trans	100.6	100.8	-171.6	-76.9	-79	0	0	0	115.3
223	G	34.7	Very low	41.8	Very low	73 Å²	73	149.7 Å²	149.7	75%	0.753	74%	0.741	S	S	*	*			trans	-115.1	179.7	-162.2	0	0	0	0	0	118.3
224	D	34.7	Very low	40.7	Very low	115 Å²	115	152.5 Å²	152.5	62%	0.615	76%	0.758	S	S	*	*			trans	68.2	100.9	151.4	-165.4	37.7	0	0	0	120.3
225	K	37.6	Very low	40.2	Very low	179 Å²	179	152 Å²	152	78%	0.778	77%	0.767	S	S	*	*				-172.7	111	105.9	-100.3	144.8	-167.6	151.6	0	117.4
226	V	34.1	Very low	39.8	Very low	100 Å²	100	150.9 Å²	150.9	61%	0.606	77%	0.771	S	S	*	*				58.4	116.4	121.6	-179.6	0	0	0	0	121.6
227	K	35.1	Very low	38.7	Very low	199 Å²	199	153.8 Å²	153.8	87%	0.865	78%	0.782	S	S	*	*			trans	72.1	148.6	152	-71.3	168.4	-167.5	172.9	0	119.1
228	A	32	Very low	38.4	Very low	98 Å²	98	154.8 Å²	154.8	81%	0.81	79%	0.79	S	S	*	*			cis	-158.7	166.4	-11.9	0	0	0	0	0	113.7
229	S	31.8	Very low	38.5	Very low	102 Å²	102	152.5 Å²	152.5	71%	0.713	79%	0.788	S	S	*	*			trans	-38.4	139.7	177.3	-170.8	0	0	0	0	119.3
230	H	32.8	Very low	37.6	Very low	178 Å²	178	153.3 Å²	153.3	82%	0.824	79%	0.791	S	S	*	*				-165.1	150.9	105.8	-122.9	-94.1	0	0	0	115.8
231	W	30.4	Very low	36.8	Very low	237 Å²	237	153.6 Å²	153.6	90%	0.898	79%	0.792	S	S	*	*			trans	-79.9	145.8	164.9	-80.3	-15.6	0	0	0	111.7
232	S	31.3	Very low	36.1	Very low	126 Å²	126	155.8 Å²	155.8	88%	0.881	79%	0.789	S	S	*	*				-179.4	171.9	119.8	-84.8	0	0	0	0	115
233	R	32	Very low	35.3	Very low	245 Å²	245	154 Å²	154	93%	0.925	79%	0.786	S	S	*	*			trans	-69.2	160.7	-170.4	-62.9	170.3	169.5	-179.1	-5.3	115.6
234	S	35.8	Very low	35.1	Very low	110 Å²	110	157.5 Å²	157.5	77%	0.769	78%	0.783	S	S	*	*			trans	-55.5	166.7	163.9	-12	0	0	0	0	113.4
235	P	46.1	Very low	34.9	Very low	124 Å²	124	159.8 Å²	159.8	81%	0.805	80%	0.795	S	S	*	*			cis	-136.5	-126.9	49.3	30.2	-2.8	0	0	0	116.7
236	P	48.8	Very low	34.4	Very low	112 Å²	112	154.7 Å²	154.7	73%	0.727	79%	0.792	S	S	*	*				-126.6	174.5	-111.2	41.2	-24	0	0	0	118.2
237	R	29.2	Very low	34.2	Very low	238 Å²	238	157.2 Å²	157.2	90%	0.898	80%	0.802	S	S	*	*			trans	12	159.6	156.1	-61.4	-174.5	179.4	-163.8	1.6	121.1
238	P	48.8	Very low	33.8	Very low	114 Å²	114	151.2 Å²	151.2	74%	0.74	79%	0.786	S	S	*	*			cis	-127.3	-123.6	-43.8	39.3	-19.7	0	0	0	108.1
239	P	52.8	Low	33.7	Very low	113 Å²	113	157.9 Å²	157.9	73%	0.734	79%	0.79	S	S	*	*				-117	-179.3	-56.1	40.2	-26	0	0	0	113.5
240	R	29.9	Very low	33.8	Very low	224 Å²	224	162.5 Å²	162.5	85%	0.845	80%	0.797	S	S	*	*			trans	175	148.1	150	-96.9	-178.2	164.2	164.9	-2.4	107.8
241	E	28.2	Very low	34.4	Very low	159 Å²	159	160.2 Å²	160.2	74%	0.743	80%	0.798	S	S	*	*				65.6	141.2	50.8	-67.3	-169.3	141.8	0	0	114.2
242	R	29.1	Very low	34.3	Very low	194 Å²	194	152.2 Å²	152.2	73%	0.732	79%	0.79	S	S	*	*			cis	-173.1	119.7	-8.2	168	-171.1	-156.4	-92.1	3.9	110.1
243	F	26.9	Very low	34.3	Very low	193 Å²	193	155.8 Å²	155.8	85%	0.846	79%	0.792	S	S	*	*			trans	56.4	177.5	164.2	-78.2	-113.4	0	0	0	116.2
244	E	29.8	Very low	34.2	Very low	147 Å²	147	149.4 Å²	149.4	69%	0.687	79%	0.792	S	S	*	*			cis	-143.9	167.9	14.8	-77.4	-173.3	159.4	0	0	113.1
245	L	30.7	Very low	34.1	Very low	164 Å²	164	155.6 Å²	155.6	86%	0.859	80%	0.798	S	S	*	*			trans	65.9	150.8	160.9	-63.3	147.1	0	0	0	117.5
246	G	27.5	Very low	33.9	Very low	71 Å²	71	155.8 Å²	155.8	73%	0.732	80%	0.8	S	S	*	*			cis	118.3	139.5	8.4	0	0	0	0	0	111.1
247	D	28.8	Very low	32.9	Very low	153 Å²	153	154.8 Å²	154.8	82%	0.818	80%	0.8	S	S	*	*			cis	-165.7	159.4	-3.5	176.3	35.2	0	0	0	111.4
248	S	27.7	Very low	34.2	Very low	74 Å²	74	149.1 Å²	149.1	52%	0.517	80%	0.795	S	S	.	*			trans	84.7	149.7	149	86.8	0	0	0	0	124.6
249	R	29.6	Very low	33.5	Very low	237 Å²	237	148 Å²	148	89%	0.894	80%	0.795	S	S	*	*			trans	96.3	121.2	148	-68.4	158.8	-161.6	-137.5	-2.8	122.8
250	K	33.7	Very low	32.3	Very low	199 Å²	199	152 Å²	152	87%	0.865	80%	0.804	S	S	*	*			trans	-85.1	-175.7	153.7	-69.7	-176.4	176.6	-179.3	0	109.4
251	P	44.9	Very low	32.4	Very low	131 Å²	131	150.6 Å²	150.6	85%	0.851	80%	0.804	S	S	*	*			cis	-146.3	-159.8	16.1	45.4	-23.1	0	0	0	117.1
252	G	28.4	Very low	33.4	Very low	69 Å²	69	149 Å²	149	71%	0.711	81%	0.807	S	S	*	*			trans	106.5	120.1	172.1	0	0	0	0	0	112.8
253	E	32.4	Very low	33.5	Very low	201 Å²	201	143.8 Å²	143.8	94%	0.939	81%	0.805	S	S	*	*			cis	82.7	103.5	37.2	-66.5	-154	130.2	0	0	116.9
254	A	29.3	Very low	33.7	Very low	110 Å²	110	142.6 Å²	142.6	91%	0.909	80%	0.802	S	S	*	*			trans	-168.5	152.9	148.9	0	0	0	0	0	111.6
255	R	33.5	Very low	33.7	Very low	241 Å²	241	141.7 Å²	141.7	91%	0.909	80%	0.802	S	S	*	*			trans	-149.5	149.1	172.2	-128.5	-177.4	-173.5	-170.1	3.7	108.1
256	P	41.1	Very low	33.6	Very low	128 Å²	128	141.3 Å²	141.3	83%	0.831	79%	0.793	S	S	*	*				-152.4	-164.6	98.3	39.3	-19.5	0	0	0	115.2
257	A	29.6	Very low	33.7	Very low	90 Å²	90	144.3 Å²	144.3	74%	0.744	79%	0.788	S	S	*	*			trans	-124.2	-149.5	177.7	0	0	0	0	0	108.8
258	P	54.7	Low	33.6	Very low	120 Å²	120	143.9 Å²	143.9	78%	0.779	78%	0.781	S	S	*	*			cis	-143.6	169.7	-3.1	43.3	-23.5	0	0	0	119.4
259	A	34.3	Very low	33.4	Very low	90 Å²	90	147.5 Å²	147.5	74%	0.744	79%	0.788	S	S	*	*			trans	19.2	152.3	143.3	0	0	0	0	0	126.2
260	Q	28.3	Very low	33.2	Very low	197 Å²	197	142.7 Å²	142.7	92%	0.921	78%	0.777	S	S	*	*			trans	-166.2	168.2	130.6	-109.3	166.4	69.4	0	0	115.1
261	K	32.7	Very low	32.9	Very low	194 Å²	194	141 Å²	141	84%	0.843	77%	0.772	S	S	*	*			trans	-127.1	169.8	171.4	-61.8	-176	177.3	-177.3	0	109.4
262	P	47.8	Very low	32	Very low	126 Å²	126	142.6 Å²	142.6	82%	0.818	77%	0.768	S	S	*	*				-158.4	-165.4	94.4	41.7	-21.1	0	0	0	116.5
263	A	32.5	Very low	32	Very low	84 Å²	84	151 Å²	151	69%	0.694	78%	0.778	S	S	*	*			trans	81.9	-172.7	163.2	0	0	0	0	0	119.2
264	Q	30.8	Very low	31.8	Very low	168 Å²	168	147.9 Å²	147.9	79%	0.785	77%	0.768	S	S	*	*				-172.1	178.1	-90.8	-94.4	167.2	-70.7	0	0	110.1
265	L	29.2	Very low	31.7	Very low	129 Å²	129	149.1 Å²	149.1	68%	0.675	76%	0.759	S	S	*	*			cis	-163.2	163.7	2.1	-119.1	162.5	0	0	0	110.8
266	K	29.6	Very low	31.4	Very low	156 Å²	156	144.8 Å²	144.8	68%	0.678	75%	0.753	S	S	*	*			trans	20.2	152	144.2	-90.5	179.6	168.1	-130.5	0	123.7
267	E	28.2	Very low	30.6	Very low	133 Å²	133	143.5 Å²	143.5	62%	0.621	75%	0.747	S	S	*	*			cis	-161.8	178.2	3	-155.8	145.4	-150.4	0	0	114.1
268	E	26.7	Very low	30.6	Very low	145 Å²	145	145.6 Å²	145.6	68%	0.678	75%	0.746	S	S	*	*			trans	85.1	152.9	165.8	-52	-101.4	82.6	0	0	115.7
269	K	24.7	Very low	29.3	Very low	150 Å²	150	146.2 Å²	146.2	65%	0.652	74%	0.742	S	S	*	*			cis	-146.8	-158.9	-1.8	-152.3	73.7	-174.7	-174.1	0	111.5
270	M	25.2	Very low	28.9	Very low	135 Å²	135	149.8 Å²	149.8	67%	0.665	74%	0.743	S	S	*	*			trans	-97.9	-173.4	176.9	-62	123.5	63.8	0	0	111.3
271	E	27.4	Very low	28.9	Very low	164 Å²	164	147 Å²	147	77%	0.766	74%	0.735	S	S	*	*			cis	-157.6	170.5	17.6	-152	145	-152.2	0	0	115.8
272	E	26.8	Very low	28.6	Very low	165 Å²	165	144.7 Å²	144.7	77%	0.771	73%	0.73	S	S	*	*			trans	-72.8	148.1	179.1	160.6	-166.2	-94.6	0	0	114.7
273	R	26.6	Very low	27.6	Very low	244 Å²	244	143.3 Å²	143.3	92%	0.921	72%	0.723	S	S	*	*				-171	171.4	129.2	-110.7	-178.3	177	-170.1	-4.1	117.3
274	D	29.4	Very low	27.4	Very low	136 Å²	136	146.8 Å²	146.8	73%	0.727	73%	0.73	S	S	*	*			trans	-128.6	-176.1	-166.5	179.9	30.8	0	0	0	110.5
275	L	27	Very low	27.3	Very low	136 Å²	136	144.3 Å²	144.3	71%	0.712	73%	0.732	S	S	*	*			trans	83.9	126.3	178.4	-49.1	177.6	0	0	0	113.9
276	L	26.4	Very low	27.5	Very low	150 Å²	150	144.6 Å²	144.6	79%	0.785	73%	0.73	S	S	*	*				82.3	132.4	53.7	-88.5	170.4	0	0	0	114.3
277	S	25.9	Very low	27.6	Very low	101 Å²	101	145.3 Å²	145.3	71%	0.706	73%	0.728	S	S	*	*			trans	67.3	157.7	171.8	-57.1	0	0	0	0	115.4
278	D	27.7	Very low	27.6	Very low	134 Å²	134	147.2 Å²	147.2	72%	0.717	73%	0.734	S	S	*	*			cis	-134.8	144.4	3.4	-92.9	-50.8	0	0	0	108.8
279	L	28.2	Very low	27.8	Very low	133 Å²	133	146.6 Å²	146.6	70%	0.696	74%	0.74	S	S	*	*				64.2	133.2	82.1	-96.7	174.3	0	0	0	116.5
280	Q	25.1	Very low	28.1	Very low	165 Å²	165	144.3 Å²	144.3	77%	0.771	74%	0.743	S	S	*	*			trans	65.7	155.4	156.9	-76.4	157.6	-26.6	0	0	118
281	D	28.8	Very low	28.4	Very low	140 Å²	140	143.1 Å²	143.1	75%	0.749	75%	0.748	S	S	*	*			cis	-168.1	-151.6	-27.4	-149	-46.8	0	0	0	105.5
282	I	26.7	Very low	28.4	Very low	145 Å²	145	139.1 Å²	139.1	74%	0.744	74%	0.743	S	S	*	*			trans	73.4	100.9	163.5	-48.1	173.5	0	0	0	113.3
283	S	25.8	Very low	28.6	Very low	97 Å²	97	140.2 Å²	140.2	68%	0.678	75%	0.748	S	S	*	*				82	121.8	53.8	84.1	0	0	0	0	116.4
284	D	29.7	Very low	28.8	Very low	157 Å²	157	133.3 Å²	133.3	84%	0.84	74%	0.738	S	S	*	*			trans	49.6	124	153.2	-65.5	-34	0	0	0	122.9
285	S	29	Very low	28.9	Very low	116 Å²	116	132 Å²	132	81%	0.811	74%	0.739	S	S	*	*			trans	179	148.8	133.2	32.7	0	0	0	0	112.4
286	E	33.3	Very low	29	Very low	135 Å²	135	130.6 Å²	130.6	63%	0.631	74%	0.74	S	S	*	*			cis	-163	150.6	-20.1	-112.3	-153.6	145.8	0	0	111.6
287	R	30.3	Very low	29.1	Very low	170 Å²	170	127.9 Å²	127.9	64%	0.642	74%	0.74	S	S	*	*			trans	68.7	125.6	140.6	-72.6	179.1	-172.6	-179.6	18.1	124.9
288	K	29.5	Very low	29.2	Very low	173 Å²	173	131.6 Å²	131.6	75%	0.752	75%	0.746	S	S	*	*			trans	74.9	154.2	131.9	-65	174.9	-178.5	-172.8	0	117.7
289	T	29.5	Very low	29.2	Very low	132 Å²	132	130.6 Å²	130.6	81%	0.81	75%	0.75	S	S	*	*			cis	-126.9	172.8	13.3	52.5	0	0	0	0	114.6
290	S	32.1	Very low	29.1	Very low	102 Å²	102	127.8 Å²	127.8	71%	0.713	75%	0.753	S	S	*	*			trans	-76.3	-178.7	165.3	65	0	0	0	0	112
291	S	30.4	Very low	29.1	Very low	111 Å²	111	126.2 Å²	126.2	78%	0.776	76%	0.76	S	S	*	*			cis	-141.7	-170.5	5	-50.3	0	0	0	0	108.7
292	A	28.9	Very low	28.9	Very low	79 Å²	79	122.7 Å²	122.7	65%	0.653	76%	0.757	S	S	*	*			cis	-153.8	156.7	3.6	0	0	0	0	0	108.1
293	E	30.9	Very low	29	Very low	188 Å²	188	120.3 Å²	120.3	88%	0.879	75%	0.753	S	S	*	*				62	134.6	77.5	-57.4	-163.3	128.8	0	0	117.2
294	S	31.1	Very low	29.2	Very low	100 Å²	100	123.4 Å²	123.4	70%	0.699	76%	0.757	S	S	*	*			cis	-171.6	168.2	-17	-164.8	0	0	0	0	111.4
295	S	31	Very low	29.2	Very low	108 Å²	108	124 Å²	124	76%	0.755	75%	0.754	S	S	*	*			trans	62.8	156.8	155.5	52.7	0	0	0	0	119.9
296	S	29	Very low	29.4	Very low	106 Å²	106	126.6 Å²	126.6	74%	0.741	75%	0.754	S	S	*	*			cis	-171.1	145.2	-17.6	48.4	0	0	0	0	112.3
297	A	28.6	Very low	29.1	Very low	93 Å²	93	128.4 Å²	128.4	77%	0.769	76%	0.762	S	S	*	*			trans	45	149.8	143.4	0	0	0	0	0	125.1
298	E	28.2	Very low	29.2	Very low	179 Å²	179	128.8 Å²	128.8	84%	0.836	77%	0.771	S	S	*	*			trans	87.1	127.4	153.6	-60.4	-147.1	159.4	0	0	123.8
299	S	27.5	Very low	29.1	Very low	114 Å²	114	129.5 Å²	129.5	80%	0.797	78%	0.777	S	S	*	*			trans	74.2	145.4	135.3	-63	0	0	0	0	123.7
300	G	25.3	Very low	29.4	Very low	74 Å²	74	131.3 Å²	131.3	76%	0.763	78%	0.776	S	S	*	*			trans	95	131.8	173.3	0	0	0	0	0	114.1
301	S	25.6	Very low	29.6	Very low	132 Å²	132	135.2 Å²	135.2	92%	0.923	78%	0.783	S	S	*	*			cis	92.3	125.4	17.6	-160.3	0	0	0	0	116.1
302	G	24.5	Very low	29.8	Very low	66 Å²	66	139.1 Å²	139.1	68%	0.68	79%	0.789	S	S	*	*			trans	92.9	131.7	-178.3	0	0	0	0	0	113.2
303	S	28.8	Very low	30.2	Very low	94 Å²	94	144.3 Å²	144.3	66%	0.657	80%	0.8	S	S	*	*			cis	105.6	150.9	14.6	79.4	0	0	0	0	115.7
304	E	30.4	Very low	30.3	Very low	163 Å²	163	144.3 Å²	144.3	76%	0.762	80%	0.8	S	S	*	*			trans	65.8	148.5	170.9	-68.9	122.6	-110.5	0	0	116.7
305	E	29.4	Very low	30.6	Very low	169 Å²	169	147.4 Å²	147.4	79%	0.79	80%	0.804	S	S	*	*			cis	-136.3	143	6.9	-63.6	177.9	151.8	0	0	108.5
306	E	33.3	Very low	30.8	Very low	171 Å²	171	148.5 Å²	148.5	80%	0.799	80%	0.797	S	S	*	*				66.9	154.8	83.3	-55	177.9	-171	0	0	114.4
307	E	26.9	Very low	30.8	Very low	172 Å²	172	146.7 Å²	146.7	80%	0.804	80%	0.795	S	S	*	*			cis	-110	-179.1	4.6	-23.4	90.2	144.1	0	0	112.8
308	E	32	Very low	31	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	79%	0.79	S	S	*	*			cis	81.2	155.2	0.2	-43.5	-154.6	141.7	0	0	116.9
309	E	28.3	Very low	31	Very low	189 Å²	189	144.7 Å²	144.7	88%	0.883	79%	0.79	S	S	*	*			cis	-116.9	163.4	24.4	-62.1	166.4	147.5	0	0	112.2
310	E	36	Very low	31.1	Very low	169 Å²	169	144 Å²	144	79%	0.79	79%	0.785	S	S	*	*			cis	89.2	135.1	43.6	-54.2	-138.6	128.6	0	0	116.2
311	E	34.6	Very low	31.3	Very low	185 Å²	185	149.9 Å²	149.9	86%	0.864	79%	0.792	S	S	*	*				-135.8	-162	103.3	-37.8	97.9	136.6	0	0	118.8
312	E	35.8	Very low	31.5	Very low	192 Å²	192	152.5 Å²	152.5	90%	0.897	79%	0.79	S	S	*	*			trans	-63.4	173.8	-173.8	-57.9	176.7	95.3	0	0	117.2
313	E	36.1	Very low	31.7	Very low	188 Å²	188	155.5 Å²	155.5	88%	0.879	80%	0.8	S	S	*	*			cis	-141.8	174.3	24.5	-44.9	164.3	116.8	0	0	109.9
314	E	34.2	Very low	31.9	Very low	188 Å²	188	160 Å²	160	88%	0.879	81%	0.811	S	S	*	*			cis	-155	-154.7	3.9	-155	-172.8	-175.2	0	0	109.1
315	E	37.6	Very low	31.8	Very low	166 Å²	166	161 Å²	161	78%	0.776	82%	0.816	S	S	*	*			trans	-141.9	166.4	-172.9	-102.1	-85.5	74	0	0	111.6
316	E	34.4	Very low	31.9	Very low	130 Å²	130	161.6 Å²	161.6	61%	0.607	82%	0.819	S	S	*	*			cis	-151.9	175.3	1	-172.5	-91.4	135.1	0	0	108.3	S318	E316-S318 WeakPolarHBondContact OE1-CB 3.48Å; E316-S318 PolarHBondContact OE1-N 2.96Å; E316-S318 PolarHBondContact OE1-OG 3.21Å
317	G	28.7	Very low	31.8	Very low	69 Å²	69	162.4 Å²	162.4	71%	0.711	82%	0.822	S	S	*	*			trans	166.9	73.5	156.9	0	0	0	0	0	119.8
318	S	32.5	Very low	31.9	Very low	93 Å²	93	162.9 Å²	162.9	65%	0.65	83%	0.825	S	S	*	*			trans	-64.9	168.7	174.6	-54.3	0	0	0	0	114.7	E316	E316-S318 WeakPolarHBondContact OE1-CB 3.48Å; E316-S318 PolarHBondContact OE1-N 2.96Å; E316-S318 PolarHBondContact OE1-OG 3.21Å
319	T	28.9	Very low	31.8	Very low	137 Å²	137	163.5 Å²	163.5	84%	0.84	83%	0.827	S	S	*	*			cis	-157.9	-176.1	6.2	-7.7	0	0	0	0	112.6
320	S	30.5	Very low	32	Very low	99 Å²	99	163.3 Å²	163.3	69%	0.692	83%	0.826	S	S	*	*			trans	-75.4	166.1	-176.1	54.5	0	0	0	0	119.1
321	E	27.8	Very low	31.8	Very low	198 Å²	198	163.7 Å²	163.7	93%	0.925	83%	0.828	S	S	*	*			trans	-162.5	155.3	132.5	-113.8	166.5	-150.1	0	0	112.1
322	E	31.6	Very low	31.7	Very low	187 Å²	187	162.7 Å²	162.7	87%	0.874	82%	0.824	S	S	*	*			trans	-134.7	153.3	-176.8	-61.6	-179.8	139.6	0	0	111.2
323	S	28.4	Very low	31.5	Very low	128 Å²	128	161.7 Å²	161.7	90%	0.895	82%	0.819	S	S	*	*			trans	-174.8	162.3	150.9	5.7	0	0	0	0	113.2
324	E	31.6	Very low	31.2	Very low	188 Å²	188	161.2 Å²	161.2	88%	0.879	82%	0.817	S	S	*	*			trans	-124.4	161.4	179.1	-58	174.6	128.3	0	0	110.6
325	E	28.9	Very low	31.1	Very low	186 Å²	186	160.9 Å²	160.9	87%	0.869	82%	0.815	S	S	*	*			trans	172.5	130.4	163.7	-97.4	158.3	-150.2	0	0	105.2
326	E	31.8	Very low	30.9	Very low	181 Å²	181	160.8 Å²	160.8	85%	0.846	82%	0.815	S	S	*	*			cis	70.2	135.6	44.7	-58.4	-164.4	154.7	0	0	112.2
327	E	30.5	Very low	30.6	Very low	187 Å²	187	160.3 Å²	160.3	87%	0.874	82%	0.821	S	S	*	*			cis	-135.3	-148.2	12.9	-65.3	-178.1	120.8	0	0	114
328	E	30.6	Very low	30.7	Very low	183 Å²	183	160 Å²	160	86%	0.855	82%	0.817	S	S	*	*			trans	-88.7	167.1	-160.9	-50.7	172.2	145.5	0	0	116.7
329	E	29.2	Very low	30.8	Very low	190 Å²	190	160.7 Å²	160.7	89%	0.888	82%	0.822	S	S	*	*			trans	172.7	156.1	131.7	-96.3	-179	-171.2	0	0	110.8
330	E	32.2	Very low	30.9	Very low	185 Å²	185	161.1 Å²	161.1	86%	0.864	82%	0.82	S	S	*	*			trans	-125.6	-134.5	177.1	-73.4	-79.9	17.2	0	0	110
331	E	31.7	Very low	31.2	Very low	177 Å²	177	160.6 Å²	160.6	83%	0.827	82%	0.816	S	S	*	*			cis	-159.6	179.2	-2.1	-156.4	166.8	-167.1	0	0	109.2
332	E	32.6	Very low	31.5	Very low	164 Å²	164	158.9 Å²	158.9	77%	0.766	81%	0.808	S	S	*	*			trans	70.9	123.8	172.5	-61.3	-170.7	159.5	0	0	118.2
333	E	32.6	Very low	31.7	Very low	172 Å²	172	158.9 Å²	158.9	80%	0.804	81%	0.808	S	S	*	*				77.8	154.2	95.5	-58.1	-150.2	158.7	0	0	114.8
334	E	30	Very low	31.9	Very low	177 Å²	177	156.4 Å²	156.4	83%	0.827	80%	0.795	S	S	*	*			cis	-135.4	176.7	18.4	-67.9	-179.4	121.1	0	0	113.4
335	E	31.3	Very low	32.2	Very low	181 Å²	181	152.7 Å²	152.7	85%	0.846	79%	0.79	S	S	*	*			trans	-75.3	168.5	157.3	-58.3	-167.5	154	0	0	112.2
336	E	32.3	Very low	32.5	Very low	165 Å²	165	151.1 Å²	151.1	77%	0.771	78%	0.782	S	S	*	*			trans	-163.4	167.8	135.1	-112.6	-72.8	160.1	0	0	112.2
337	T	28.5	Very low	32.7	Very low	120 Å²	120	150 Å²	150	74%	0.736	78%	0.777	S	S	*	*			trans	-83.7	173.6	-164.4	67.3	0	0	0	0	113.8
338	G	31.2	Very low	32.9	Very low	61 Å²	61	146.3 Å²	146.3	63%	0.629	77%	0.772	S	S	*	*			cis	145.2	160.4	-7.7	0	0	0	0	0	113.1
339	S	33.9	Very low	33	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	77%	0.767	S	S	*	*			trans	65.8	155.4	166.6	-59.3	0	0	0	0	119.1
340	N	31.2	Very low	33.2	Very low	146 Å²	146	141.6 Å²	141.6	78%	0.781	77%	0.765	S	S	*	*			cis	-169.7	175.2	-21.1	-97.2	-13.6	0	0	0	107.1
341	S	36.9	Very low	33.2	Very low	87 Å²	87	141.3 Å²	141.3	61%	0.608	76%	0.764	S	S	*	*			cis	-123	-109.4	-0.9	-50.4	0	0	0	0	109.1
342	E	35.3	Very low	33.1	Very low	162 Å²	162	139.8 Å²	139.8	76%	0.757	77%	0.767	S	S	*	*			cis	-171.6	131.7	-16.5	-125.3	140.9	-108.9	0	0	104.5
343	E	35.3	Very low	33	Very low	188 Å²	188	136.8 Å²	136.8	88%	0.879	76%	0.763	S	S	*	*			cis	-134.3	-156.6	-22.1	-60.9	-173.1	96.5	0	0	105.4
344	A	32	Very low	33	Very low	76 Å²	76	136.8 Å²	136.8	63%	0.628	76%	0.764	S	S	*	*			cis	-156.7	145.3	-2.4	0	0	0	0	0	107.2
345	S	38.8	Very low	33	Very low	109 Å²	109	136.8 Å²	136.8	76%	0.762	76%	0.763	S	S	*	*				59.5	120.7	93.8	98.6	0	0	0	0	115.5
346	E	35.5	Very low	33.1	Very low	153 Å²	153	135.2 Å²	135.2	72%	0.715	76%	0.756	S	S	*	*			cis	-150.1	147	12.7	-72.8	-159.3	107.6	0	0	114.5
347	Q	34.8	Very low	32.8	Very low	158 Å²	158	134.4 Å²	134.4	74%	0.738	75%	0.754	S	S	*	*			trans	57.7	138.4	139.2	-62.9	177.7	45.5	0	0	120.6
348	S	34.4	Very low	32.7	Very low	110 Å²	110	133 Å²	133	77%	0.769	75%	0.749	S	S	*	*			cis	-163.1	-178	0.2	-98.1	0	0	0	0	111.8
349	A	33.4	Very low	32.6	Very low	90 Å²	90	139.2 Å²	139.2	74%	0.744	76%	0.762	S	S	*	*			trans	-84	-164.9	171	0	0	0	0	0	111.5
350	E	32.1	Very low	32.4	Very low	184 Å²	184	141.9 Å²	141.9	86%	0.86	77%	0.768	S	S	*	*			cis	-144.8	162.3	19.4	-60.5	167.4	119	0	0	108.5
351	E	33.6	Very low	32.5	Very low	178 Å²	178	143.5 Å²	143.5	83%	0.832	77%	0.771	S	S	*	*			cis	76	124.9	31	-64.1	-64.3	133.7	0	0	115.7
352	V	29.4	Very low	32.4	Very low	146 Å²	146	145.1 Å²	145.1	89%	0.885	77%	0.769	S	S	*	*			trans	-151.7	138.8	-175.4	-175.8	0	0	0	0	110.9
353	S	30.3	Very low	32.2	Very low	100 Å²	100	145.8 Å²	145.8	70%	0.699	76%	0.764	S	S	*	*			trans	-138.8	137.6	-178.4	58.8	0	0	0	0	115.2
354	E	32.1	Very low	32	Very low	173 Å²	173	144.4 Å²	144.4	81%	0.808	76%	0.758	S	S	*	*			trans	64.9	97	140.9	-65.8	173.8	-170.7	0	0	121.5
355	E	29.5	Very low	31.8	Very low	176 Å²	176	146.6 Å²	146.6	82%	0.822	76%	0.759	S	S	*	*				74	140.5	109.5	-85.4	-178.2	-162.1	0	0	125.6
356	E	33.6	Very low	31.3	Very low	148 Å²	148	148 Å²	148	69%	0.692	75%	0.753	S	S	*	*			trans	89.8	154.3	143.5	-80.3	-61.3	129.3	0	0	124.7
357	M	26.2	Very low	31.1	Very low	148 Å²	148	146.2 Å²	146.2	73%	0.729	75%	0.748	S	S	*	*			trans	71.6	90.3	168.7	-62.9	-65.5	156	0	0	122.2
358	S	27.9	Very low	30.8	Very low	90 Å²	90	146.1 Å²	146.1	63%	0.629	75%	0.748	S	S	*	*				39.1	133.3	116.7	66.1	0	0	0	0	123.3
359	E	28	Very low	30.3	Very low	193 Å²	193	147.5 Å²	147.5	90%	0.902	75%	0.746	S	S	*	*				179.9	159.8	96.7	-92.2	-175.4	158.4	0	0	112
360	D	30.1	Very low	29.8	Very low	165 Å²	165	150 Å²	150	88%	0.882	75%	0.746	S	S	*	*			trans	-125.5	134.1	-177.7	-109.5	-46.4	0	0	0	109.9
361	E	32.1	Very low	29.4	Very low	180 Å²	180	146.8 Å²	146.8	84%	0.841	74%	0.738	S	S	*	*			trans	-131.1	106.9	168.4	-82.7	-154.9	146	0	0	114.3
362	E	34.8	Very low	29.4	Very low	121 Å²	121	144.3 Å²	144.3	57%	0.565	74%	0.736	S	S	*	*				61.2	116.5	123.3	-52.5	-131.8	106.4	0	0	123.7
363	R	32	Very low	29.8	Very low	175 Å²	175	143 Å²	143	66%	0.66	73%	0.73	S	S	*	*			trans	80.1	125	131	-71.2	-176.4	-168.1	119	17.3	123.8
364	E	31.4	Very low	29.8	Very low	160 Å²	160	146.9 Å²	146.9	75%	0.748	74%	0.737	S	S	*	*			trans	68.5	156.2	131.6	-62.5	169.1	-153.6	0	0	118.7
365	N	26.8	Very low	29.8	Very low	121 Å²	121	143.6 Å²	143.6	65%	0.647	73%	0.733	S	S	*	*			cis	-147	157.3	1.7	-156.9	19.2	0	0	0	114.4
366	E	29.4	Very low	29.9	Very low	140 Å²	140	145.3 Å²	145.3	65%	0.654	73%	0.732	S	S	*	*			trans	28.2	135.4	148.6	-84.1	-177.2	121.4	0	0	127.1
367	N	30.1	Very low	29.5	Very low	114 Å²	114	146.9 Å²	146.9	61%	0.61	74%	0.737	S	S	*	*				89.9	106.3	127.2	-71.5	-25.9	0	0	0	125.4
368	H	28.4	Very low	29.9	Very low	157 Å²	157	146.6 Å²	146.6	73%	0.727	74%	0.738	S	S	*	*				90.3	127.4	120	-96.9	-62.9	0	0	0	125.4
369	L	25.2	Very low	30.1	Very low	138 Å²	138	154.5 Å²	154.5	72%	0.723	75%	0.754	S	S	*	*			trans	92.8	118.2	142.9	-63.4	168.9	0	0	0	123.8
370	L	23	Very low	30.2	Very low	143 Å²	143	152.6 Å²	152.6	75%	0.749	75%	0.75	S	S	*	*			trans	69.3	113.2	133.3	-62.2	172	0	0	0	124.2
371	V	24	Very low	30.3	Very low	116 Å²	116	150.1 Å²	150.1	70%	0.703	75%	0.746	S	S	*	*				67.1	106.5	123.1	-178.5	0	0	0	0	121.2
372	V	33.8	Very low	30.1	Very low	127 Å²	127	144.8 Å²	144.8	77%	0.77	74%	0.74	S	S	*	*				38.3	121.3	123	-176.2	0	0	0	0	118
373	P	38	Very low	29.9	Very low	118 Å²	118	147.8 Å²	147.8	77%	0.766	75%	0.754	S	S	*	*				-154.1	144.7	89.9	39.1	-19.2	0	0	0	120.7
374	E	28.9	Very low	29.9	Very low	182 Å²	182	144.8 Å²	144.8	85%	0.85	76%	0.759	S	S	*	*			trans	29.6	130.2	130.9	-81.9	-166.6	156.3	0	0	126.1
375	S	33.7	Very low	29.9	Very low	103 Å²	103	145.4 Å²	145.4	72%	0.72	76%	0.762	S	S	*	*				94.4	158.2	117.3	-163.9	0	0	0	0	123.3
376	R	30	Very low	30.1	Very low	213 Å²	213	149 Å²	149	80%	0.804	78%	0.775	S	S	*	*			trans	73.3	144.1	172.9	-69.4	174	173.6	157.2	-0.7	117.7
377	F	25.8	Very low	30.3	Very low	180 Å²	180	146.5 Å²	146.5	79%	0.789	78%	0.779	S	S	*	*			cis	-151.2	162.9	25.1	-131.3	-72.3	0	0	0	112.7
378	D	33.8	Very low	30.4	Very low	143 Å²	143	150.4 Å²	150.4	77%	0.765	79%	0.793	S	S	*	*			trans	-71.5	159.5	175.7	-49.5	-94.4	0	0	0	116.3
379	R	32.3	Very low	30.5	Very low	256 Å²	256	151.6 Å²	151.6	97%	0.966	80%	0.799	S	S	*	*			trans	-158.4	166.3	144.5	-132.3	173.5	173.7	153.7	-0.7	114.1
380	D	30	Very low	30.9	Very low	152 Å²	152	154 Å²	154	81%	0.813	81%	0.806	S	S	*	*			trans	-140.6	147.8	-152.3	171.6	39.6	0	0	0	113.5
381	S	32.8	Very low	31.4	Very low	113 Å²	113	152.9 Å²	152.9	79%	0.79	81%	0.805	S	S	*	*			trans	155.7	143.8	172.8	56.2	0	0	0	0	109.4
382	G	28.1	Very low	31.7	Very low	69 Å²	69	150.4 Å²	150.4	71%	0.711	80%	0.804	S	S	*	*			cis	123	140.5	8	0	0	0	0	0	111.2
383	E	30.7	Very low	31.5	Very low	184 Å²	184	154.4 Å²	154.4	86%	0.86	81%	0.814	S	S	*	*			cis	-160.6	164.9	-4.3	-58.9	-175.8	72.8	0	0	110.2
384	S	32.6	Very low	31.1	Very low	112 Å²	112	152.6 Å²	152.6	78%	0.783	82%	0.817	S	S	*	*			trans	69.3	158.7	156.9	74.9	0	0	0	0	119.7
385	E	30.1	Very low	31.1	Very low	173 Å²	173	150.5 Å²	150.5	81%	0.808	82%	0.817	S	S	*	*			cis	-141.4	140.3	8.6	-67.6	179.5	146.7	0	0	109.5
386	E	32.1	Very low	31.8	Very low	195 Å²	195	150.8 Å²	150.8	91%	0.911	82%	0.816	S	S	*	*				54.7	144.4	97.8	-59	-165.6	-171.5	0	0	118
387	A	33.2	Very low	31.8	Very low	89 Å²	89	149.3 Å²	149.3	74%	0.736	82%	0.818	S	S	*	*			cis	-153.5	-179.9	-11.2	0	0	0	0	0	108.4
388	E	31.7	Very low	32.1	Very low	196 Å²	196	146.3 Å²	146.3	92%	0.916	82%	0.82	S	S	*	*				-159.3	-178.8	51.2	-67.6	-171.9	138.4	0	0	112.9
389	E	31.9	Very low	31.8	Very low	182 Å²	182	145.3 Å²	145.3	85%	0.85	82%	0.824	S	S	*	*			trans	-116.5	168.1	-174.8	-54.8	-175.6	126	0	0	115.3
390	E	32.5	Very low	31.7	Very low	187 Å²	187	137.5 Å²	137.5	87%	0.874	81%	0.814	S	S	*	*			trans	-164.8	157	150.6	-109	-81.4	114.3	0	0	111.3
391	V	33.2	Very low	31.8	Very low	120 Å²	120	138.5 Å²	138.5	73%	0.727	82%	0.818	S	S	*	*			trans	-145.8	148.5	-158.9	-179.6	0	0	0	0	112.5
392	G	30.3	Very low	31.8	Very low	65 Å²	65	139.4 Å²	139.4	67%	0.67	82%	0.819	S	S	*	*			cis	137.3	125.1	-2.5	0	0	0	0	0	113.1
393	E	29.2	Very low	32	Very low	210 Å²	210	145 Å²	145	98%	0.981	83%	0.827	S	S	*	*			trans	-144.4	157	-177.6	-80.3	-159.4	125.3	0	0	115
394	G	29.4	Very low	32	Very low	80 Å²	80	139.3 Å²	139.3	83%	0.825	82%	0.818	S	S	*	*			trans	106.6	59.4	144.4	0	0	0	0	0	120.5
395	T	30.2	Very low	32	Very low	139 Å²	139	142.4 Å²	142.4	85%	0.853	83%	0.826	S	S	*	*			trans	-82	176.2	163.2	14.4	0	0	0	0	112
396	P	48.9	Very low	32.1	Very low	109 Å²	109	144.6 Å²	144.6	71%	0.708	83%	0.828	S	S	*	*			cis	-135.6	170.2	-4.9	39.1	-22.5	0	0	0	116.4
397	Q	28.5	Very low	32.5	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	81%	0.814	S	S	*	*				-162.3	136.9	118.9	-114.2	176.4	-3.3	0	0	115.5
398	S	31.9	Very low	32.8	Very low	117 Å²	117	141.6 Å²	141.6	82%	0.818	82%	0.816	S	S	*	*			trans	41.7	103.3	163.1	58.4	0	0	0	0	120.3
399	S	27.6	Very low	32.9	Very low	122 Å²	122	139.9 Å²	139.9	85%	0.853	81%	0.813	S	S	*	*			trans	-80.8	152.2	165.3	54	0	0	0	0	114.5
400	A	30.7	Very low	33.2	Very low	91 Å²	91	136.2 Å²	136.2	75%	0.752	81%	0.807	S	S	*	*			trans	-170.3	125.4	135.4	0	0	0	0	0	112
401	L	31.4	Very low	33.5	Very low	173 Å²	173	133.5 Å²	133.5	91%	0.906	81%	0.806	S	S	*	*			trans	150.7	112.4	141.1	-85.1	177.7	0	0	0	113.7
402	T	32.8	Very low	33.6	Very low	133 Å²	133	132.5 Å²	132.5	82%	0.816	81%	0.81	S	S	*	*			trans	-158.2	161.7	148	54.5	0	0	0	0	105.9
403	E	33.5	Very low	34	Very low	185 Å²	185	137.4 Å²	137.4	86%	0.864	82%	0.82	S	S	*	*			cis	-128.5	162.5	6.8	-62.5	166.7	137	0	0	109.2
404	G	30.1	Very low	34.5	Very low	66 Å²	66	132 Å²	132	68%	0.68	81%	0.806	S	S	*	*				85.9	126.4	98.1	0	0	0	0	0	113.1
405	D	32.9	Very low	35.1	Very low	176 Å²	176	134.2 Å²	134.2	94%	0.941	81%	0.806	S	S	*	*			cis	-146	176.3	8.6	-81.8	-42.7	0	0	0	113.5
406	Y	31.2	Very low	35.5	Very low	220 Å²	220	134.5 Å²	134.5	86%	0.863	80%	0.801	S	S	*	*			trans	-148.4	164.6	-159.3	119.9	-51.7	0	0	0	111.8
407	V	42	Very low	35.2	Very low	101 Å²	101	137.2 Å²	137.2	61%	0.612	80%	0.804	S	S	*	*			cis	-166.6	153.8	-23.4	76.2	0	0	0	0	107.9
408	P	39.3	Very low	36	Very low	120 Å²	120	135.3 Å²	135.3	78%	0.779	80%	0.799	S	S	*	*			trans	-80.7	151	174.2	31	-35.6	0	0	0	114.6
409	D	34.2	Very low	36.6	Very low	160 Å²	160	138.5 Å²	138.5	86%	0.856	80%	0.798	S	S	*	*	S	Bend	trans	-54.5	126.9	-168.7	-78.4	-66.8	0	0	0	118.1
410	S	36.7	Very low	37.8	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	80%	0.798	S	S	*	*				177.2	138.9	120.3	-78.3	0	0	0	0	110.1	A412	S410-A412 PolarHBondContact O-N 2.88Å
411	P	38.7	Very low	38.5	Very low	131 Å²	131	143.8 Å²	143.8	85%	0.851	79%	0.793	S	S	*	*			trans	-70.4	102.7	-177.9	27.9	-34.1	0	0	0	111.7	L413	P411-L413 PolarHBondContact O-N 3.42Å
412	A	35.9	Very low	39.2	Very low	98 Å²	98	143 Å²	143	81%	0.81	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-61.9	125.7	166.1	0	0	0	0	0	109.5	S410	S410-A412 PolarHBondContact O-N 2.88Å
413	L	39	Very low	39.9	Very low	168 Å²	168	142 Å²	142	88%	0.88	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-56.5	142.7	173.7	-71	167	0	0	0	110.1	P411	P411-L413 PolarHBondContact O-N 3.42Å
414	S	40.6	Very low	40.7	Very low	97 Å²	97	141.5 Å²	141.5	68%	0.678	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-55.8	147.7	-179.2	49.3	0	0	0	0	111.6	I416	S414-I416 PolarHBondContact O-N 3.38Å
415	P	40.9	Very low	41.5	Very low	126 Å²	126	146.5 Å²	146.5	82%	0.818	78%	0.78	S	S	*	*			trans	-60.5	107.9	177.2	-21.3	32.7	0	0	0	109.9	E417	P415-E417 PolarHBondContact O-N 3.11Å; P415-E417 VanDerWaalsContact O-N 3.07Å
416	I	38.4	Very low	42.3	Very low	146 Å²	146	146.1 Å²	146.1	75%	0.749	78%	0.776	S	S	*	*			trans	-62.9	113.3	163.9	-64.9	175	0	0	0	105.6	S414 L418	S414-I416 PolarHBondContact O-N 3.38Å; I416-L418 VanDerWaalsContact C-N 3.27Å; I416-L418 PolarHBondContact O-N 3.1Å
417	E	42.4	Very low	43	Very low	165 Å²	165	139.5 Å²	139.5	77%	0.771	76%	0.76	S	S	*	*			trans	-57.7	97.7	164.1	-74.6	-165.8	134	0	0	108.1	P415 K419	P415-E417 PolarHBondContact O-N 3.11Å; P415-E417 VanDerWaalsContact O-N 3.07Å; E417-K419 VanDerWaalsContact C-N 3.25Å; E417-K419 PolarHBondContact O-N 2.94Å
418	L	45.3	Very low	43.2	Very low	143 Å²	143	138.6 Å²	138.6	75%	0.749	76%	0.764	S	S	*	*			trans	-63.1	92.9	169.2	-81.3	168.4	0	0	0	107.4	I416 Q420	I416-L418 VanDerWaalsContact C-N 3.27Å; I416-L418 PolarHBondContact O-N 3.1Å; L418-Q420 VanDerWaalsContact C-N 3.29Å; L418-Q420 WeakPolarHBondContact O-CG 3.34Å; L418-Q420 PolarHBondContact O-N 2.88Å
419	K	45.9	Very low	43.7	Very low	184 Å²	184	141.3 Å²	141.3	80%	0.8	77%	0.771	S	S	*	*			trans	-59.5	96.1	165.4	-73	-174.3	176.1	179.6	0	107.7	E417 E421	E417-K419 VanDerWaalsContact C-N 3.25Å; E417-K419 PolarHBondContact O-N 2.94Å; K419-E421 PolarHBondContact O-N 2.84Å
420	Q	51	Low	44.5	Very low	183 Å²	183	141.6 Å²	141.6	86%	0.855	77%	0.767	S	S	*	*			trans	-72.9	34	-178.3	-66	-170	-6.4	0	0	113.4	L418	L418-Q420 VanDerWaalsContact C-N 3.29Å; L418-Q420 WeakPolarHBondContact O-CG 3.34Å; L418-Q420 PolarHBondContact O-N 2.88Å
421	E	47.1	Very low	45.6	Very low	140 Å²	140	139.8 Å²	139.8	65%	0.654	77%	0.765	S	S	*	*			trans	-108.7	90.2	156.9	-74.2	-144.2	134.9	0	0	108.5	K419 K424	K419-E421 PolarHBondContact O-N 2.84Å; E421-K424 IonicContact OE1-NZ 3.4Å; E421-K424 PolarHBondContact OE1-NZ 3.07Å; E421-K424 IonicContact OE2-NZ 2.71Å
422	L	44.2	Very low	47.4	Very low	157 Å²	157	137.2 Å²	137.2	82%	0.822	75%	0.749	S	S	*	*			trans	-51.8	138	153.3	-73.7	167.5	0	0	0	108	K424	L422-K424 PolarHBondContact O-N 3.28Å
423	P	48.3	Very low	49.9	Very low	112 Å²	112	134.8 Å²	134.8	73%	0.727	72%	0.719	S	S	*	*			trans	-51.2	138.2	176.1	-27.6	34.9	0	0	0	111.3	Y425	P423-Y425 PolarHBondContact O-N 2.88Å
424	K	50.6	Low	52.3	Low	175 Å²	175	128.5 Å²	128.5	76%	0.761	69%	0.689	S	S	*	*	S	Bend	trans	-70.6	66.5	-178	-73.8	171.3	178.3	138.5	0	111.6	E421 L422	E421-K424 IonicContact OE1-NZ 3.4Å; E421-K424 PolarHBondContact OE1-NZ 3.07Å; E421-K424 IonicContact OE2-NZ 2.71Å; L422-K424 PolarHBondContact O-N 3.28Å
425	Y	45.9	Very low	54.6	Low	171 Å²	171	124.6 Å²	124.6	67%	0.671	66%	0.661	S	S	*	*			trans	-139.6	62.9	-173.7	-124.6	-86.6	0	0	0	113.1	P423 P427	P423-Y425 PolarHBondContact O-N 2.88Å; Y425-P427 HydrophobicContact CD1-CG 4.04Å; Y425-P427 HydrophobicContact CE1-CG 3.93Å
426	L	50.5	Low	56.9	Low	167 Å²	167	124.5 Å²	124.5	87%	0.874	65%	0.65	S	S	*	*			trans	-119.9	65.2	159.4	-71.5	176.3	0	0	0	111.3	A428	L426-A428 PolarHBondContact O-N 2.98Å
427	P	45.5	Very low	59.4	Low	81 Å²	81	119.8 Å²	119.8	53%	0.526	63%	0.625	S	S	.	*			trans	-74.2	45.2	171.9	35.3	-37.5	0	0	0	111.8	Y425 L429	Y425-P427 HydrophobicContact CD1-CG 4.04Å; Y425-P427 HydrophobicContact CE1-CG 3.93Å; P427-L429 VanDerWaalsContact C-N 3.29Å; P427-L429 PolarHBondContact O-N 2.8Å
428	A	47.2	Very low	61.8	Low	83 Å²	83	112.3 Å²	112.3	69%	0.686	59%	0.59	S	S	*	*	S	Bend	trans	-74.6	-15.1	-172.9	0	0	0	0	0	114.1	L426	L426-A428 PolarHBondContact O-N 2.98Å
429	L	50.1	Low	64.1	Low	176 Å²	176	110.4 Å²	110.4	92%	0.921	58%	0.577	S	S	*	*	S	Bend	trans	-136.7	11.8	-177.7	-71.6	176	0	0	0	114.1	P427	P427-L429 VanDerWaalsContact C-N 3.29Å; P427-L429 PolarHBondContact O-N 2.8Å
430	Q	50.8	Low	66.3	Low	166 Å²	166	104.8 Å²	104.8	78%	0.776	56%	0.56	S	S	*	*	S	Bend	trans	-94.9	116.5	170	-169.8	154.4	3.4	0	0	109.2
431	G	59	Low	68.2	Low	66 Å²	66	99.5 Å²	99.5	68%	0.68	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-61.8	144.6	-179.6	0	0	0	0	0	112.3	R433	G431-R433 PolarHBondContact O-N 3.27Å
432	C	77.4	Confident	70.2	Confident	78 Å²	78	95.3 Å²	95.3	53%	0.527	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-50.9	134	178.4	-54.9	0	0	0	0	111.3	I503 V505	C432-I503 WeakPolarHBondContact CB-O 3.48Å; C432-V505 HydrophobicContact CB-CG1 4.18Å; C432-V505 HydrophobicContact CB-CG2 4.05Å
433	R	88.5	Confident	72.3	Confident	46 Å²	46	93.1 Å²	93.1	17%	0.174	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-61.4	151.7	179.3	-69.9	173.1	56.7	-158.4	5	110.8	G431 E437 D457 E502 V504 V505	G431-R433 PolarHBondContact O-N 3.27Å; R433-E437 IonicContact CZ-OE2 2.75Å; R433-E437 IonicContact NE-OE2 3.48Å; R433-E437 PolarHBondContact NE-OE2 2.82Å; R433-E437 IonicContact NH2-OE2 2.66Å; R433-E437 PolarHBondContact NH2-OE2 2.77Å; R433-D457 IonicContact CZ-OD1 3.92Å; R433-D457 IonicContact CZ-OD2 3.69Å; R433-D457 IonicContact NH1-OD1 3.55Å; R433-D457 IonicContact NH1-OD2 3.14Å; R433-D457 PolarHBondContact NH1-OD2 3.04Å; R433-D457 VanDerWaalsContact NH2-CG 3.28Å; R433-D457 IonicContact NH2-OD1 3.56Å; R433-D457 PolarHBondContact NH2-OD1 2.69Å; R433-D457 IonicContact NH2-OD2 2.63Å; R433-D457 PolarHBondContact NH2-OD2 3.35Å; R433-E502 WeakPolarHBondContact CD-OE1 3.46Å; R433-E502 VanDerWaalsContact CD-OE2 3.29Å; R433-E502 WeakPolarHBondContact CD-OE2 3.49Å; R433-E502 IonicContact CZ-OE1 2.78Å; R433-E502 IonicContact NE-OE1 2.67Å; R433-E502 IonicContact NH1-OE1 3.58Å; R433-E502 PolarHBondContact NH1-OE1 3.37Å; R433-V504 HydrophobicContact CB-CG1 3.98Å; R433-V504 WeakPolarHBondContact O-CA 3.49Å; R433-V504 VanDerWaalsContact O-CB 3.29Å; R433-V504 WeakPolarHBondContact O-CB 3.41Å; R433-V505 PolarHBondContact O-N 3.35Å; R433-V505 VanDerWaalsContact O-N 3.09Å
434	S	87.6	Confident	74	Confident	36 Å²	36	90.9 Å²	90.9	25%	0.252	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-71.1	136.6	173.9	-179.5	0	0	0	0	109.9	E436 E437 V505	S434-E436 PolarHBondContact O-N 3.33Å; S434-E436 VanDerWaalsContact O-N 3.09Å; S434-E436 WeakPolarHBondContact OG-CB 3.22Å; S434-E436 PolarHBondContact OG-N 3.26Å; S434-E436 VanDerWaalsContact OG-N 3.16Å; S434-E437 VanDerWaalsContact O-CB 3.31Å; S434-E437 WeakPolarHBondContact O-CB 3.33Å; S434-E437 WeakPolarHBondContact O-CG 3.49Å; S434-E437 PolarHBondContact O-N 3.41Å; S434-V505 CarbonylContact C-O 3.45Å; S434-V505 VanDerWaalsContact CA-O 3.3Å; S434-V505 WeakPolarHBondContact CA-O 3.45Å
435	V	89.9	Confident	75.2	Confident	16 Å²	16	87.3 Å²	87.3	10%	0.097	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-59.2	-20.2	170	73.7	0	0	0	0	112.1	E437 F438 L466 V504 V505 Y513	V435-E437 PolarHBondContact O-N 2.87Å; V435-F438 PolarHBondContact O-N 3.43Å; V435-L466 HydrophobicContact CG2-CD1 4.37Å; V435-V504 HydrophobicContact CB-CG2 4.12Å; V435-V504 HydrophobicContact CG2-CG2 4.12Å; V435-V505 PolarHBondContact N-O 3.11Å; V435-Y513 HydrophobicContact CB-CD2 4.12Å; V435-Y513 HydrophobicContact CB-CE2 4.29Å; V435-Y513 HydrophobicContact CG1-CE2 4.26Å; V435-Y513 HydrophobicContact CG2-CD1 4.49Å; V435-Y513 HydrophobicContact CG2-CD2 3.61Å; V435-Y513 HydrophobicContact CG2-CE2 3.75Å; V435-Y513 HydrophobicContact CG2-CG 4.03Å
436	E	89.1	Confident	76.5	Confident	123 Å²	123	85.4 Å²	85.4	58%	0.575	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-69.9	-13.5	175.5	-60.6	168.6	173.2	0	0	112.8	S434 F438 K458	S434-E436 PolarHBondContact O-N 3.33Å; S434-E436 VanDerWaalsContact O-N 3.09Å; S434-E436 WeakPolarHBondContact OG-CB 3.22Å; S434-E436 PolarHBondContact OG-N 3.26Å; S434-E436 VanDerWaalsContact OG-N 3.16Å; E436-F438 PolarHBondContact O-N 2.64Å; E436-K458 PolarHBondContact O-NZ 2.94Å
437	E	90.3	Very high	77.1	Confident	47 Å²	47	79.4 Å²	79.4	22%	0.22	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-72.9	-8	167.4	-60.7	-169.7	-162.2	0	0	113.2	R433 S434 V435 K458 K459	R433-E437 IonicContact CZ-OE2 2.75Å; R433-E437 IonicContact NE-OE2 3.48Å; R433-E437 PolarHBondContact NE-OE2 2.82Å; R433-E437 IonicContact NH2-OE2 2.66Å; R433-E437 PolarHBondContact NH2-OE2 2.77Å; S434-E437 VanDerWaalsContact O-CB 3.31Å; S434-E437 WeakPolarHBondContact O-CB 3.33Å; S434-E437 WeakPolarHBondContact O-CG 3.49Å; S434-E437 PolarHBondContact O-N 3.41Å; V435-E437 PolarHBondContact O-N 2.87Å; E437-K458 WeakPolarHBondContact O-CB 3.39Å; E437-K458 WeakPolarHBondContact O-CD 3.23Å; E437-K458 WeakPolarHBondContact O-CG 3.36Å; E437-K458 PolarHBondContact O-N 3.46Å; E437-K459 IonicContact OE1-NZ 2.91Å; E437-K459 PolarHBondContact OE1-NZ 3.25Å; E437-K459 WeakPolarHBondContact OE2-CD 3.13Å; E437-K459 WeakPolarHBondContact OE2-CE 3.35Å; E437-K459 IonicContact OE2-NZ 3.75Å; E437-K459 PolarHBondContact OE2-NZ 2.89Å
438	F	93.7	Very high	77.6	Confident	8 Å²	8	80.4 Å²	80.4	4%	0.035	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134	179.4	-60.8	-97.7	0	0	0	110.2	V435 E436 A455 K456 D457 V464 L466 V504 V515	V435-F438 PolarHBondContact O-N 3.43Å; E436-F438 PolarHBondContact O-N 2.64Å; F438-A455 HydrophobicContact CB-CB 4.4Å; F438-K456 CarbonylContact C-O 3.57Å; F438-K456 WeakPolarHBondContact CA-O 3.42Å; F438-D457 HydrophobicContact CD1-CB 3.98Å; F438-D457 HydrophobicContact CE1-CB 3.78Å; F438-D457 WeakPolarHBondContact CE1-OD2 3.46Å; F438-V464 HydrophobicContact CD1-CG2 3.74Å; F438-V464 HydrophobicContact CE1-CG2 3.98Å; F438-L466 HydrophobicContact CB-CD1 3.94Å; F438-L466 HydrophobicContact CD1-CD2 4.28Å; F438-L466 HydrophobicContact CG-CD1 4.39Å; F438-L466 HydrophobicContact CG-CD2 4.43Å; F438-V504 HydrophobicContact CD2-CG2 4.48Å; F438-V504 HydrophobicContact CE2-CB 4.35Å; F438-V504 HydrophobicContact CE2-CG1 3.74Å; F438-V504 HydrophobicContact CE2-CG2 4.34Å; F438-V504 HydrophobicContact CZ-CG1 4.16Å; F438-V515 HydrophobicContact CE1-CG1 4.04Å; F438-V515 HydrophobicContact CE1-CG2 4.42Å; F438-V515 HydrophobicContact CZ-CG1 4.38Å; F438-V515 HydrophobicContact CZ-CG2 4.12Å
439	Q	93.6	Very high	78.2	Confident	103 Å²	103	79.3 Å²	79.3	48%	0.481	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	98.3	171.7	-175.4	-177.1	3.1	0	0	108.8	L441 A455 K456 K458	Q439-L441 HydrophobicContact CG-CD2 4.04Å; Q439-L441 PolarHBondContact O-N 2.95Å; Q439-A455 CarbonylContact O-C 3.58Å; Q439-A455 VanDerWaalsContact O-CA 3.22Å; Q439-A455 WeakPolarHBondContact O-CA 3.47Å; Q439-K456 HydrophobicContact CB-CB 4.31Å; Q439-K456 PolarHBondContact N-O 2.91Å; Q439-K456 PolarHBondContact O-N 2.9Å; Q439-K458 HydrophobicContact CB-CG 4.46Å
440	C	92	Very high	79.3	Confident	67 Å²	67	71.4 Å²	71.4	45%	0.453	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	123.8	169.5	-64.7	0	0	0	0	110.1
441	L	90.6	Very high	80.9	Confident	71 Å²	71	63.8 Å²	63.8	37%	0.372	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-57.3	-176.8	-57.6	177.8	0	0	0	110.7	Q439 R454 K456 I463	Q439-L441 HydrophobicContact CG-CD2 4.04Å; Q439-L441 PolarHBondContact O-N 2.95Å; L441-R454 WeakPolarHBondContact CB-O 3.35Å; L441-R454 VanDerWaalsContact CD1-NH1 3.31Å; L441-R454 PolarHBondContact N-O 2.89Å; L441-K456 HydrophobicContact CD1-CB 4.32Å; L441-K456 HydrophobicContact CD2-CB 4.49Å; L441-I463 HydrophobicContact CD1-CD1 3.79Å
442	N	90.2	Very high	82.3	Confident	53 Å²	53	61.6 Å²	61.6	28%	0.283	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	156.9	-179.7	58.3	-78.1	0	0	0	111.7	Y453 R454 S742	N442-Y453 CarbonylContact O-C 3.58Å; N442-Y453 WeakPolarHBondContact O-CA 3.49Å; N442-R454 PolarHBondContact N-O 3.18Å; N442-R454 PolarHBondContact O-N 2.99Å; N442-S742 PolarHBondContact ND2-O 3.04Å
443	R	88.5	Confident	83	Confident	111 Å²	111	60.2 Å²	60.2	42%	0.419	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.4	168	-160.2	-177.9	-148.7	-167.2	3.7	108.7	E446 V451 Y453	R443-E446 VanDerWaalsContact CZ-CD 3.5Å; R443-E446 IonicContact CZ-OE1 2.71Å; R443-E446 IonicContact CZ-OE2 3.29Å; R443-E446 VanDerWaalsContact CZ-OE2 3.26Å; R443-E446 IonicContact NH1-OE1 2.88Å; R443-E446 IonicContact NH1-OE2 2.73Å; R443-E446 PolarHBondContact NH1-OE2 3.03Å; R443-E446 IonicContact NH2-OE1 2.78Å; R443-E446 PolarHBondContact NH2-OE1 3.49Å; R443-E446 IonicContact NH2-OE2 3.15Å; R443-E446 PolarHBondContact NH2-OE2 2.97Å; R443-V451 HydrophobicContact CG-CG1 4.09Å; R443-V451 VanDerWaalsContact NH2-CG1 3.33Å; R443-V451 VanDerWaalsContact NH2-CG2 3.34Å; R443-Y453 HydrophobicContact CB-CD1 4.38Å; R443-Y453 HydrophobicContact CG-CD1 4.41Å; R443-Y453 HydrophobicContact CG-CE1 4.34Å
444	I	83.4	Confident	83.2	Confident	64 Å²	64	59.7 Å²	59.7	33%	0.328	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-59.7	169.5	-56.2	173.1	0	0	0	107.9	V452 R454 Y518	I444-V452 HydrophobicContact CB-CB 4.49Å; I444-V452 HydrophobicContact CB-CG1 4.48Å; I444-V452 HydrophobicContact CD1-CG1 4.2Å; I444-V452 PolarHBondContact N-O 3.06Å; I444-R454 HydrophobicContact CD1-CB 3.87Å; I444-R454 HydrophobicContact CG1-CB 3.89Å; I444-Y518 HydrophobicContact CD1-CD2 4.06Å; I444-Y518 HydrophobicContact CD1-CE2 3.81Å
445	E	74.8	Confident	83.5	Confident	101 Å²	101	58 Å²	58	47%	0.472	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.2	-166.4	-163.5	178.1	-169.8	0	0	112.7	V451 V452	E445-V451 WeakPolarHBondContact O-CG1 3.23Å; E445-V452 HydrophobicContact CB-CB 4.23Å; E445-V452 HydrophobicContact CB-CG2 4.35Å; E445-V452 PolarHBondContact N-O 3.26Å; E445-V452 PolarHBondContact O-N 3Å
446	E	73.2	Confident	83.8	Confident	130 Å²	130	59.8 Å²	59.8	61%	0.607	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	111.2	168.1	172.8	158.3	-120.4	0	0	108.6	R443 V451	R443-E446 VanDerWaalsContact CZ-CD 3.5Å; R443-E446 IonicContact CZ-OE1 2.71Å; R443-E446 IonicContact CZ-OE2 3.29Å; R443-E446 VanDerWaalsContact CZ-OE2 3.26Å; R443-E446 IonicContact NH1-OE1 2.88Å; R443-E446 IonicContact NH1-OE2 2.73Å; R443-E446 PolarHBondContact NH1-OE2 3.03Å; R443-E446 IonicContact NH2-OE1 2.78Å; R443-E446 PolarHBondContact NH2-OE1 3.49Å; R443-E446 IonicContact NH2-OE2 3.15Å; R443-E446 PolarHBondContact NH2-OE2 2.97Å; E446-V451 HydrophobicContact CG-CG2 4.48Å
447	G	63.4	Low	84.1	Confident	42 Å²	42	54.1 Å²	54.1	43%	0.433	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	177.7	-177.6	0	0	0	0	0	112.2	Y449 G450	G447-Y449 PolarHBondContact O-N 3.47Å; G447-Y449 VanDerWaalsContact O-N 3.16Å; G447-G450 PolarHBondContact N-O 3.07Å; G447-G450 PolarHBondContact O-N 2.88Å; G447-G450 VanDerWaalsContact O-O 3.04Å
448	T	55.8	Low	84.3	Confident	102 Å²	102	58 Å²	58	63%	0.626	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-39.6	-177.1	-49.9	0	0	0	0	113
449	Y	59.8	Low	84.3	Confident	60 Å²	60	64.5 Å²	64.5	24%	0.235	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.1	-172.3	-54.1	-64.5	0	0	0	114.5	G447 L583	G447-Y449 PolarHBondContact O-N 3.47Å; G447-Y449 VanDerWaalsContact O-N 3.16Å; Y449-L583 WeakPolarHBondContact OH-CD2 3.45Å; Y449-L583 VanDerWaalsContact OH-CG 3.3Å; Y449-L583 WeakPolarHBondContact OH-CG 3.44Å
450	G	73.1	Confident	84.2	Confident	9 Å²	9	63 Å²	63	9%	0.093	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-164.9	-178.6	0	0	0	0	0	115	G447 R468	G447-G450 PolarHBondContact N-O 3.07Å; G447-G450 PolarHBondContact O-N 2.88Å; G447-G450 VanDerWaalsContact O-O 3.04Å; G450-R468 WeakPolarHBondContact CA-O 3.19Å
451	V	84.4	Confident	84.3	Confident	6 Å²	6	64.8 Å²	64.8	4%	0.036	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.2	179.2	-176.8	0	0	0	0	108.9	R443 E445 E446 Y453 R468	R443-V451 HydrophobicContact CG-CG1 4.09Å; R443-V451 VanDerWaalsContact NH2-CG1 3.33Å; R443-V451 VanDerWaalsContact NH2-CG2 3.34Å; E445-V451 WeakPolarHBondContact O-CG1 3.23Å; E446-V451 HydrophobicContact CG-CG2 4.48Å; V451-Y453 HydrophobicContact CB-CE2 3.88Å; V451-Y453 HydrophobicContact CG1-CD2 4.2Å; V451-Y453 HydrophobicContact CG1-CE1 4.14Å; V451-Y453 HydrophobicContact CG1-CE2 3.5Å; V451-Y453 VanDerWaalsContact CG1-CZ 3.47Å; V451-R468 PolarHBondContact N-O 2.85Å; V451-R468 PolarHBondContact O-N 3.24Å
452	V	89.3	Confident	84.5	Confident	20 Å²	20	65.6 Å²	65.6	12%	0.121	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130.1	-178.3	-167.8	0	0	0	0	110.1	I444 E445 A465 L466 K467	I444-V452 HydrophobicContact CB-CB 4.49Å; I444-V452 HydrophobicContact CB-CG1 4.48Å; I444-V452 HydrophobicContact CD1-CG1 4.2Å; I444-V452 PolarHBondContact N-O 3.06Å; E445-V452 HydrophobicContact CB-CB 4.23Å; E445-V452 HydrophobicContact CB-CG2 4.35Å; E445-V452 PolarHBondContact N-O 3.26Å; E445-V452 PolarHBondContact O-N 3Å; V452-A465 HydrophobicContact CG1-CB 4.29Å; V452-L466 WeakPolarHBondContact CA-O 3.3Å; V452-K467 HydrophobicContact CG2-CB 4.38Å; V452-K467 HydrophobicContact CG2-CG 4.25Å
453	Y	91.1	Very high	84.6	Confident	50 Å²	50	65.3 Å²	65.3	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139	177.7	-57.1	-93.8	0	0	0	110.6	N442 R443 V451 A465 L466 R468 Y513	N442-Y453 CarbonylContact O-C 3.58Å; N442-Y453 WeakPolarHBondContact O-CA 3.49Å; R443-Y453 HydrophobicContact CB-CD1 4.38Å; R443-Y453 HydrophobicContact CG-CD1 4.41Å; R443-Y453 HydrophobicContact CG-CE1 4.34Å; V451-Y453 HydrophobicContact CB-CE2 3.88Å; V451-Y453 HydrophobicContact CG1-CD2 4.2Å; V451-Y453 HydrophobicContact CG1-CE1 4.14Å; V451-Y453 HydrophobicContact CG1-CE2 3.5Å; V451-Y453 VanDerWaalsContact CG1-CZ 3.47Å; Y453-A465 WeakPolarHBondContact O-CA 3.48Å; Y453-L466 PolarHBondContact N-O 2.85Å; Y453-L466 PolarHBondContact O-N 3.08Å; Y453-R468 HydrophobicContact CE2-CB 4.3Å; Y453-Y513 HydrophobicContact CD2-CE1 4.25Å; Y453-Y513 HydrophobicContact CE2-CE1 4.2Å
454	R	93.5	Very high	84.9	Confident	35 Å²	35	60 Å²	60	13%	0.132	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.2	162.8	-167.2	173.4	177.6	-87.2	0.2	106.9	L441 N442 I444 I463 Y518 E743	L441-R454 WeakPolarHBondContact CB-O 3.35Å; L441-R454 VanDerWaalsContact CD1-NH1 3.31Å; L441-R454 PolarHBondContact N-O 2.89Å; N442-R454 PolarHBondContact N-O 3.18Å; N442-R454 PolarHBondContact O-N 2.99Å; I444-R454 HydrophobicContact CD1-CB 3.87Å; I444-R454 HydrophobicContact CG1-CB 3.89Å; R454-I463 HydrophobicContact CG-CG2 3.72Å; R454-Y518 WeakPolarHBondContact CD-OH 3.39Å; R454-Y518 HydrophobicContact CG-CD2 4.25Å; R454-Y518 HydrophobicContact CG-CE2 3.96Å; R454-Y518 VanDerWaalsContact NE-CZ 3.31Å; R454-Y518 PolarHBondContact NE-OH 2.66Å; R454-E743 IonicContact CZ-OE1 3.15Å; R454-E743 IonicContact NE-OE1 3.97Å; R454-E743 PolarHBondContact NE-OE1 3.01Å; R454-E743 IonicContact NH2-OE1 2.7Å; R454-E743 PolarHBondContact NH2-OE1 3.23Å
455	A	94.6	Very high	85.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	164.1	179.5	0	0	0	0	0	111.1	F438 Q439 I463 V464 L466	F438-A455 HydrophobicContact CB-CB 4.4Å; Q439-A455 CarbonylContact O-C 3.58Å; Q439-A455 VanDerWaalsContact O-CA 3.22Å; Q439-A455 WeakPolarHBondContact O-CA 3.47Å; A455-I463 CarbonylContact O-C 3.38Å; A455-I463 WeakPolarHBondContact O-CA 3.41Å; A455-V464 HydrophobicContact CB-CG2 4.17Å; A455-V464 PolarHBondContact N-O 2.79Å; A455-V464 PolarHBondContact O-N 3.07Å; A455-L466 HydrophobicContact CB-CD1 3.5Å; A455-L466 VanDerWaalsContact CB-CD1 3.5Å; A455-L466 HydrophobicContact CB-CG 3.77Å
456	K	95.7	Very high	86.2	Confident	53 Å²	53	52.5 Å²	52.5	23%	0.23	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.6	171.5	-157.5	179.9	-159.8	-158.9	0	109.3	F438 Q439 L441 K458 D461 E462 I463	F438-K456 CarbonylContact C-O 3.57Å; F438-K456 WeakPolarHBondContact CA-O 3.42Å; Q439-K456 HydrophobicContact CB-CB 4.31Å; Q439-K456 PolarHBondContact N-O 2.91Å; Q439-K456 PolarHBondContact O-N 2.9Å; L441-K456 HydrophobicContact CD1-CB 4.32Å; L441-K456 HydrophobicContact CD2-CB 4.49Å; K456-K458 PolarHBondContact O-N 2.94Å; K456-D461 WeakPolarHBondContact CE-O 3.32Å; K456-D461 WeakPolarHBondContact CE-OD1 3.47Å; K456-D461 VanDerWaalsContact CE-OD2 3.26Å; K456-D461 WeakPolarHBondContact CE-OD2 3.5Å; K456-D461 IonicContact NZ-OD1 2.69Å; K456-D461 PolarHBondContact NZ-OD1 2.84Å; K456-D461 IonicContact NZ-OD2 3.58Å; K456-D461 PolarHBondContact NZ-OD2 2.85Å; K456-E462 CarbonylContact C-O 3.58Å; K456-E462 VanDerWaalsContact CA-O 3.32Å; K456-E462 WeakPolarHBondContact CA-O 3.48Å; K456-I463 HydrophobicContact CB-CD1 4.28Å; K456-I463 HydrophobicContact CG-CD1 4.06Å
457	D	95.5	Very high	86.9	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	123.2	170.4	-171.6	-31.9	0	0	0	109	R433 F438 K459 D461 E462	R433-D457 IonicContact CZ-OD1 3.92Å; R433-D457 IonicContact CZ-OD2 3.69Å; R433-D457 IonicContact NH1-OD1 3.55Å; R433-D457 IonicContact NH1-OD2 3.14Å; R433-D457 PolarHBondContact NH1-OD2 3.04Å; R433-D457 VanDerWaalsContact NH2-CG 3.28Å; R433-D457 IonicContact NH2-OD1 3.56Å; R433-D457 PolarHBondContact NH2-OD1 2.69Å; R433-D457 IonicContact NH2-OD2 2.63Å; R433-D457 PolarHBondContact NH2-OD2 3.35Å; F438-D457 HydrophobicContact CD1-CB 3.98Å; F438-D457 HydrophobicContact CE1-CB 3.78Å; F438-D457 WeakPolarHBondContact CE1-OD2 3.46Å; D457-K459 PolarHBondContact O-N 3.33Å; D457-K459 WeakPolarHBondContact OD1-CB 3.43Å; D457-K459 PolarHBondContact OD1-N 3.17Å; D457-D461 VanDerWaalsContact O-CA 3.25Å; D457-D461 WeakPolarHBondContact O-CA 3.47Å; D457-D461 PolarHBondContact O-N 3.33Å; D457-E462 PolarHBondContact N-O 2.75Å
458	K	94.1	Very high	88	Confident	129 Å²	129	49 Å²	49	56%	0.561	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.2	-177.6	-62.2	170.6	-173.5	172.7	0	113.7	E436 E437 Q439 K456	E436-K458 PolarHBondContact O-NZ 2.94Å; E437-K458 WeakPolarHBondContact O-CB 3.39Å; E437-K458 WeakPolarHBondContact O-CD 3.23Å; E437-K458 WeakPolarHBondContact O-CG 3.36Å; E437-K458 PolarHBondContact O-N 3.46Å; Q439-K458 HydrophobicContact CB-CG 4.46Å; K456-K458 PolarHBondContact O-N 2.94Å
459	K	92.8	Very high	89	Confident	144 Å²	144	44.1 Å²	44.1	63%	0.626	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-38.6	177.1	-72.9	-178.4	174.9	155.2	0	113	E437 D457	E437-K459 IonicContact OE1-NZ 2.91Å; E437-K459 PolarHBondContact OE1-NZ 3.25Å; E437-K459 WeakPolarHBondContact OE2-CD 3.13Å; E437-K459 WeakPolarHBondContact OE2-CE 3.35Å; E437-K459 IonicContact OE2-NZ 3.75Å; E437-K459 PolarHBondContact OE2-NZ 2.89Å; D457-K459 PolarHBondContact O-N 3.33Å; D457-K459 WeakPolarHBondContact OD1-CB 3.43Å; D457-K459 PolarHBondContact OD1-N 3.17Å
460	T	93.3	Very high	89.5	Confident	72 Å²	72	46.1 Å²	46.1	44%	0.442	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-9.4	-177.2	61.1	0	0	0	0	114	E462	T460-E462 PolarHBondContact O-N 2.63Å; T460-E462 VanDerWaalsContact O-N 3.16Å; T460-E462 PolarHBondContact OG1-N 3.13Å
461	D	93	Very high	89.2	Confident	104 Å²	104	47.4 Å²	47.4	56%	0.556	22%	0.221	S	C	*	.			trans	64.1	6.3	-173.5	-143.3	52.3	0	0	0	114.3	K456 D457	K456-D461 WeakPolarHBondContact CE-O 3.32Å; K456-D461 WeakPolarHBondContact CE-OD1 3.47Å; K456-D461 VanDerWaalsContact CE-OD2 3.26Å; K456-D461 WeakPolarHBondContact CE-OD2 3.5Å; K456-D461 IonicContact NZ-OD1 2.69Å; K456-D461 PolarHBondContact NZ-OD1 2.84Å; K456-D461 IonicContact NZ-OD2 3.58Å; K456-D461 PolarHBondContact NZ-OD2 2.85Å; D457-D461 VanDerWaalsContact O-CA 3.25Å; D457-D461 WeakPolarHBondContact O-CA 3.47Å; D457-D461 PolarHBondContact O-N 3.33Å
462	E	94.1	Very high	88.1	Confident	87 Å²	87	52.2 Å²	52.2	41%	0.407	24%	0.243	S	C	.	.			trans	-76.4	152.4	-179.7	-69.1	-179.9	-148.3	0	0	113.6	K456 D457 T460 R501	K456-E462 CarbonylContact C-O 3.58Å; K456-E462 VanDerWaalsContact CA-O 3.32Å; K456-E462 WeakPolarHBondContact CA-O 3.48Å; D457-E462 PolarHBondContact N-O 2.75Å; T460-E462 PolarHBondContact O-N 2.63Å; T460-E462 VanDerWaalsContact O-N 3.16Å; T460-E462 PolarHBondContact OG1-N 3.13Å; E462-R501 IonicContact OE2-CZ 3.18Å; E462-R501 IonicContact OE2-NH1 2.68Å; E462-R501 PolarHBondContact OE2-NH1 2.84Å; E462-R501 IonicContact OE2-NH2 2.82Å; E462-R501 PolarHBondContact OE2-NH2 3.46Å
463	I	94.2	Very high	86.5	Confident	47 Å²	47	61.6 Å²	61.6	24%	0.241	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	129.4	172.4	-53.4	-64.1	0	0	0	110.3	L441 R454 A455 K456 Y518	L441-I463 HydrophobicContact CD1-CD1 3.79Å; R454-I463 HydrophobicContact CG-CG2 3.72Å; A455-I463 CarbonylContact O-C 3.38Å; A455-I463 WeakPolarHBondContact O-CA 3.41Å; K456-I463 HydrophobicContact CB-CD1 4.28Å; K456-I463 HydrophobicContact CG-CD1 4.06Å; I463-Y518 HydrophobicContact CB-CD1 4.14Å; I463-Y518 HydrophobicContact CG2-CD1 3.4Å; I463-Y518 HydrophobicContact CG2-CD2 4.46Å; I463-Y518 HydrophobicContact CG2-CE1 3.93Å; I463-Y518 HydrophobicContact CG2-CG 3.69Å
464	V	94.3	Very high	84.6	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.2	-179.8	-62.9	0	0	0	0	111.4	F438 A455 L466 V515	F438-V464 HydrophobicContact CD1-CG2 3.74Å; F438-V464 HydrophobicContact CE1-CG2 3.98Å; A455-V464 HydrophobicContact CB-CG2 4.17Å; A455-V464 PolarHBondContact N-O 2.79Å; A455-V464 PolarHBondContact O-N 3.07Å; V464-L466 HydrophobicContact CG2-CD2 4.19Å; V464-L466 HydrophobicContact CG2-CG 4.46Å; V464-V515 HydrophobicContact CB-CG1 3.95Å; V464-V515 HydrophobicContact CG1-CG1 4.11Å; V464-V515 HydrophobicContact CG2-CG1 4.06Å
465	A	93.4	Very high	82.8	Confident	8 Å²	8	72.5 Å²	72.5	7%	0.066	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.2	169.5	0	0	0	0	0	109.9	V452 Y453 M516	V452-A465 HydrophobicContact CG1-CB 4.29Å; Y453-A465 WeakPolarHBondContact O-CA 3.48Å; A465-M516 HydrophobicContact CB-CB 4.34Å; A465-M516 HydrophobicContact CB-CE 4.19Å; A465-M516 PolarHBondContact N-O 3.13Å; A465-M516 PolarHBondContact O-N 2.75Å
466	L	91.4	Very high	80.9	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	104.1	175.6	-60.5	-178.6	0	0	0	109.7	V435 F438 V452 Y453 A455 V464 R468 Y513 I514 V515	V435-L466 HydrophobicContact CG2-CD1 4.37Å; F438-L466 HydrophobicContact CB-CD1 3.94Å; F438-L466 HydrophobicContact CD1-CD2 4.28Å; F438-L466 HydrophobicContact CG-CD1 4.39Å; F438-L466 HydrophobicContact CG-CD2 4.43Å; V452-L466 WeakPolarHBondContact CA-O 3.3Å; Y453-L466 PolarHBondContact N-O 2.85Å; Y453-L466 PolarHBondContact O-N 3.08Å; A455-L466 HydrophobicContact CB-CD1 3.5Å; A455-L466 VanDerWaalsContact CB-CD1 3.5Å; A455-L466 HydrophobicContact CB-CG 3.77Å; V464-L466 HydrophobicContact CG2-CD2 4.19Å; V464-L466 HydrophobicContact CG2-CG 4.46Å; L466-R468 PolarHBondContact O-N 2.69Å; L466-Y513 HydrophobicContact CB-CD1 4.01Å; L466-I514 WeakPolarHBondContact CA-O 3.35Å; L466-V515 HydrophobicContact CD2-CB 4.2Å; L466-V515 HydrophobicContact CD2-CG1 4.08Å; L466-V515 HydrophobicContact CD2-CG2 3.7Å
467	K	88.1	Confident	79.5	Confident	12 Å²	12	80.4 Å²	80.4	5%	0.052	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	105.8	171	-175.2	178.3	-168.9	-178.8	0	108.6	V452 L469 E485 Y513 I514 M516 D580	V452-K467 HydrophobicContact CG2-CB 4.38Å; V452-K467 HydrophobicContact CG2-CG 4.25Å; K467-L469 PolarHBondContact O-N 2.9Å; K467-E485 IonicContact NZ-OE1 2.69Å; K467-E485 PolarHBondContact NZ-OE1 3.1Å; K467-E485 IonicContact NZ-OE2 3.69Å; K467-Y513 WeakPolarHBondContact O-CA 3.38Å; K467-I514 PolarHBondContact N-O 2.97Å; K467-I514 PolarHBondContact O-N 3.48Å; K467-M516 HydrophobicContact CB-CE 3.69Å; K467-D580 IonicContact NZ-OD1 2.66Å; K467-D580 PolarHBondContact NZ-OD1 3.07Å
468	R	86.5	Confident	78	Confident	85 Å²	85	82.7 Å²	82.7	32%	0.321	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	118.2	173.9	-169.2	-177	64.2	-171.9	-1.7	109.2	G450 V451 Y453 L466 K470 Y513	G450-R468 WeakPolarHBondContact CA-O 3.19Å; V451-R468 PolarHBondContact N-O 2.85Å; V451-R468 PolarHBondContact O-N 3.24Å; Y453-R468 HydrophobicContact CE2-CB 4.3Å; L466-R468 PolarHBondContact O-N 2.69Å; R468-K470 PolarHBondContact O-N 3.11Å; R468-Y513 HydrophobicContact CB-CD1 3.57Å; R468-Y513 HydrophobicContact CB-CE1 3.46Å; R468-Y513 VanDerWaalsContact CB-CE1 3.46Å; R468-Y513 HydrophobicContact CB-CG 4.35Å; R468-Y513 HydrophobicContact CG-CD1 3.96Å; R468-Y513 HydrophobicContact CG-CE1 3.64Å; R468-Y513 HydrophobicContact CG-CE2 4.17Å; R468-Y513 HydrophobicContact CG-CG 4.4Å
469	L	77.8	Confident	76.7	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.4	172.9	-68.9	178.4	0	0	0	109.9	K467 M471 F478 I486 I512 I514	K467-L469 PolarHBondContact O-N 2.9Å; L469-M471 PolarHBondContact O-N 3.19Å; L469-F478 HydrophobicContact CD1-CE2 4.13Å; L469-F478 HydrophobicContact CD1-CZ 3.63Å; L469-I486 HydrophobicContact CD1-CD1 4.21Å; L469-I512 HydrophobicContact CD1-CG2 4.1Å; L469-I512 PolarHBondContact N-O 2.71Å; L469-I514 HydrophobicContact CD1-CD1 4.33Å; L469-I514 HydrophobicContact CD1-CG1 4.11Å; L469-I514 HydrophobicContact CD2-CD1 3.81Å; L469-I514 HydrophobicContact CD2-CG1 4.16Å; L469-I514 HydrophobicContact CG-CD1 4.29Å; L469-I514 HydrophobicContact CG-CG1 4.09Å
470	K	69.4	Low	75.5	Confident	102 Å²	102	73.9 Å²	73.9	44%	0.443	36%	0.355	S	S	.	.			trans	-85.8	97	176.6	-176.7	-172.7	170.7	-136.3	0	108.4	R468 E472	R468-K470 PolarHBondContact O-N 3.11Å; K470-E472 IonicContact NZ-OE1 2.8Å; K470-E472 PolarHBondContact NZ-OE1 2.87Å; K470-E472 PolarHBondContact O-N 1.81Å
471	M	66.4	Low	74.2	Confident	35 Å²	35	74.7 Å²	74.7	17%	0.172	36%	0.361	C	S	.	.			trans	-60.4	106.7	167.6	-56.4	-62.8	-84.4	0	0	108.2	L469 F478 P479 M509 I512	L469-M471 PolarHBondContact O-N 3.19Å; M471-F478 HydrophobicContact CE-CB 4.26Å; M471-F478 HydrophobicContact CE-CD2 3.95Å; M471-F478 HydrophobicContact CE-CG 4.39Å; M471-F478 HydrophobicContact SD-CD2 3.98Å; M471-F478 HydrophobicContact SD-CE2 4.34Å; M471-P479 VanDerWaalsContact SD-CD 3.54Å; M471-P479 HydrophobicContact SD-CG 4.32Å; M471-M509 HydrophobicContact CE-CB 4.47Å; M471-M509 WeakPolarHBondContact CG-O 3.25Å; M471-I512 HydrophobicContact CE-CD1 4.42Å; M471-I512 HydrophobicContact SD-CD1 4.34Å
472	E	60.9	Low	73	Confident	107 Å²	107	70.2 Å²	70.2	50%	0.5	34%	0.337	S	S	.	.			trans	-72.3	158.3	167.8	-56.2	-139.9	135.3	0	0	109	K470 E474	K470-E472 IonicContact NZ-OE1 2.8Å; K470-E472 PolarHBondContact NZ-OE1 2.87Å; K470-E472 PolarHBondContact O-N 1.81Å; E472-E474 HydrophobicContact CB-CG 4.36Å; E472-E474 PolarHBondContact O-N 3.1Å
473	K	55.5	Low	71.9	Confident	218 Å²	218	70.5 Å²	70.5	95%	0.948	34%	0.341	S	S	*	.			trans	-78.9	48	178.2	-66.9	-171.2	176.8	-176.1	0	111.8
474	E	52.8	Low	70.7	Confident	99 Å²	99	75.6 Å²	75.6	46%	0.463	36%	0.357	S	S	.	.			trans	-64.1	141.7	167.4	-65.2	-164.7	120.8	0	0	109.1	E472 E476 P479	E472-E474 HydrophobicContact CB-CG 4.36Å; E472-E474 PolarHBondContact O-N 3.1Å; E474-E476 PolarHBondContact O-N 2.65Å; E474-P479 WeakPolarHBondContact OE2-CA 3.46Å
475	K	54.5	Low	69.5	Low	215 Å²	215	76.1 Å²	76.1	94%	0.935	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-4.1	-177.3	-64.8	179	-178.5	174.7	0	113.3
476	E	55.9	Low	68.6	Low	182 Å²	182	76.6 Å²	76.6	85%	0.85	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	8.9	-168.2	-54.4	-164.6	154.5	0	0	113.5	E474	E474-E476 PolarHBondContact O-N 2.65Å
477	G	65.4	Low	67.9	Low	37 Å²	37	80.3 Å²	80.3	38%	0.381	38%	0.381	S	S	.	.	S	Bend	trans	104.7	-114.4	167.5	0	0	0	0	0	114.5
478	F	65.2	Low	67.2	Low	52 Å²	52	80 Å²	80	23%	0.228	38%	0.38	C	S	.	.	S	Bend	trans	-83.2	131.3	-173.7	-174.1	-78.1	0	0	0	111.2	L469 M471 I480 L483 I486 I512	L469-F478 HydrophobicContact CD1-CE2 4.13Å; L469-F478 HydrophobicContact CD1-CZ 3.63Å; M471-F478 HydrophobicContact CE-CB 4.26Å; M471-F478 HydrophobicContact CE-CD2 3.95Å; M471-F478 HydrophobicContact CE-CG 4.39Å; M471-F478 HydrophobicContact SD-CD2 3.98Å; M471-F478 HydrophobicContact SD-CE2 4.34Å; F478-I480 PolarHBondContact O-N 2.58Å; F478-L483 HydrophobicContact CD1-CD1 4.26Å; F478-L483 HydrophobicContact CD1-CD2 3.74Å; F478-L483 HydrophobicContact CD1-CG 3.6Å; F478-L483 HydrophobicContact CE1-CD2 3.48Å; F478-L483 VanDerWaalsContact CE1-CD2 3.48Å; F478-L483 HydrophobicContact CE1-CG 3.58Å; F478-L483 HydrophobicContact CZ-CD2 4.31Å; F478-I486 HydrophobicContact CE1-CD1 4.45Å; F478-I486 HydrophobicContact CZ-CD1 4.06Å; F478-I512 HydrophobicContact CD2-CD1 3.68Å; F478-I512 HydrophobicContact CE2-CD1 3.57Å; F478-I512 HydrophobicContact CE2-CG2 4.18Å
479	P	64.9	Low	66.6	Low	1 Å²	1	76.2 Å²	76.2	1%	0.006	37%	0.366	C	S	.	.			trans	-59.1	126.4	-173.9	-26.1	34.2	0	0	0	114.2	M471 E474 T481 S482 L483	M471-P479 VanDerWaalsContact SD-CD 3.54Å; M471-P479 HydrophobicContact SD-CG 4.32Å; E474-P479 WeakPolarHBondContact OE2-CA 3.46Å; P479-T481 WeakPolarHBondContact CB-OG1 3.47Å; P479-T481 PolarHBondContact O-N 3.19Å; P479-S482 PolarHBondContact O-N 2.66Å; P479-L483 PolarHBondContact O-N 2.91Å
480	I	68.1	Low	66.6	Low	87 Å²	87	79.9 Å²	79.9	45%	0.446	39%	0.385	S	S	.	.	H	α-helix	trans	-62.4	-29.6	177.6	-58.9	175.6	0	0	0	110.7	F478 R484	F478-I480 PolarHBondContact O-N 2.58Å; I480-R484 WeakPolarHBondContact O-CG 3.47Å; I480-R484 PolarHBondContact O-N 2.87Å
481	T	66.4	Low	67.1	Low	90 Å²	90	79.5 Å²	79.5	55%	0.552	38%	0.384	S	S	*	.	H	α-helix	trans	-59.6	-46.4	171.3	45.3	0	0	0	0	112.2	P479 R484 E485	P479-T481 WeakPolarHBondContact CB-OG1 3.47Å; P479-T481 PolarHBondContact O-N 3.19Å; T481-R484 WeakPolarHBondContact O-CB 3.43Å; T481-R484 PolarHBondContact O-N 3.45Å; T481-E485 PolarHBondContact O-N 3.24Å
482	S	68.6	Low	67.8	Low	9 Å²	9	77.9 Å²	77.9	6%	0.063	38%	0.376	C	S	.	.	H	α-helix	trans	-69.6	-34.5	179.5	-58.8	0	0	0	0	112.9	P479 R484 E485 I486	P479-S482 PolarHBondContact O-N 2.66Å; S482-R484 VanDerWaalsContact C-N 3.3Å; S482-R484 PolarHBondContact O-N 2.93Å; S482-E485 PolarHBondContact O-N 3.39Å; S482-I486 WeakPolarHBondContact O-CB 3.38Å; S482-I486 WeakPolarHBondContact O-CD1 3.38Å; S482-I486 VanDerWaalsContact O-CG1 3.29Å; S482-I486 WeakPolarHBondContact O-CG1 3.5Å; S482-I486 PolarHBondContact O-N 3Å
483	L	70.4	Confident	69	Low	93 Å²	93	78.9 Å²	78.9	49%	0.487	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-37.2	171.9	-69.1	178.1	0	0	0	111.9	F478 P479 N487	F478-L483 HydrophobicContact CD1-CD1 4.26Å; F478-L483 HydrophobicContact CD1-CD2 3.74Å; F478-L483 HydrophobicContact CD1-CG 3.6Å; F478-L483 HydrophobicContact CE1-CD2 3.48Å; F478-L483 VanDerWaalsContact CE1-CD2 3.48Å; F478-L483 HydrophobicContact CE1-CG 3.58Å; F478-L483 HydrophobicContact CZ-CD2 4.31Å; P479-L483 PolarHBondContact O-N 2.91Å; L483-N487 WeakPolarHBondContact O-CB 3.41Å; L483-N487 PolarHBondContact O-N 3.26Å
484	R	68.9	Low	70.9	Confident	154 Å²	154	70.5 Å²	70.5	58%	0.581	35%	0.345	S	S	*	.	H	α-helix	trans	-68.1	-43.3	175.3	-70.7	168.4	-178.9	153.4	2.2	111.9	I480 T481 S482 N487 T488	I480-R484 WeakPolarHBondContact O-CG 3.47Å; I480-R484 PolarHBondContact O-N 2.87Å; T481-R484 WeakPolarHBondContact O-CB 3.43Å; T481-R484 PolarHBondContact O-N 3.45Å; S482-R484 VanDerWaalsContact C-N 3.3Å; S482-R484 PolarHBondContact O-N 2.93Å; R484-N487 PolarHBondContact O-N 3.4Å; R484-T488 VanDerWaalsContact O-CB 3.27Å; R484-T488 WeakPolarHBondContact O-CB 3.43Å; R484-T488 PolarHBondContact O-N 3.33Å; R484-T488 PolarHBondContact O-OG1 3.05Å
485	E	69.9	Low	72.9	Confident	11 Å²	11	70 Å²	70	5%	0.051	35%	0.35	C	S	.	.	H	α-helix	trans	-57.1	-50.7	174.4	-175.5	179.6	175.5	0	0	110.6	K467 T481 S482 N487 T488 I489 F581	K467-E485 IonicContact NZ-OE1 2.69Å; K467-E485 PolarHBondContact NZ-OE1 3.1Å; K467-E485 IonicContact NZ-OE2 3.69Å; T481-E485 PolarHBondContact O-N 3.24Å; S482-E485 PolarHBondContact O-N 3.39Å; E485-N487 PolarHBondContact O-N 2.81Å; E485-T488 PolarHBondContact O-N 3.09Å; E485-I489 HydrophobicContact CG-CD1 3.75Å; E485-I489 VanDerWaalsContact O-CG1 3.32Å; E485-I489 WeakPolarHBondContact O-CG1 3.25Å; E485-I489 PolarHBondContact O-N 2.89Å; E485-F581 HydrophobicContact CG-CB 4.4Å
486	I	74.5	Confident	74.9	Confident	18 Å²	18	60.2 Å²	60.2	9%	0.092	31%	0.308	C	S	.	.	H	α-helix	trans	-53.5	-54.8	175.5	-73.7	160.7	0	0	0	111.4	L469 F478 S482 T488 I489 L490 I503 I514	L469-I486 HydrophobicContact CD1-CD1 4.21Å; F478-I486 HydrophobicContact CE1-CD1 4.45Å; F478-I486 HydrophobicContact CZ-CD1 4.06Å; S482-I486 WeakPolarHBondContact O-CB 3.38Å; S482-I486 WeakPolarHBondContact O-CD1 3.38Å; S482-I486 VanDerWaalsContact O-CG1 3.29Å; S482-I486 WeakPolarHBondContact O-CG1 3.5Å; S482-I486 PolarHBondContact O-N 3Å; I486-T488 VanDerWaalsContact C-N 3.32Å; I486-T488 PolarHBondContact O-N 3.15Å; I486-I489 PolarHBondContact O-N 3.26Å; I486-L490 HydrophobicContact CG2-CD1 3.72Å; I486-L490 WeakPolarHBondContact O-CB 3.49Å; I486-L490 VanDerWaalsContact O-CG 3.26Å; I486-L490 WeakPolarHBondContact O-CG 3.35Å; I486-L490 PolarHBondContact O-N 3.49Å; I486-I503 HydrophobicContact CB-CD1 4.47Å; I486-I503 HydrophobicContact CD1-CD1 3.62Å; I486-I503 HydrophobicContact CD1-CG1 4.33Å; I486-I503 HydrophobicContact CG1-CD1 3.92Å; I486-I503 HydrophobicContact CG1-CG1 4.46Å; I486-I503 HydrophobicContact CG2-CD1 3.71Å; I486-I514 HydrophobicContact CD1-CD1 4.49Å; I486-I514 HydrophobicContact CG1-CD1 3.77Å; I486-I514 HydrophobicContact CG1-CG1 4.32Å
487	N	75.3	Confident	76.7	Confident	78 Å²	78	51.6 Å²	51.6	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-64.4	-36.9	-176.2	-170.1	50.9	0	0	0	112.4	L483 R484 E485 K491	L483-N487 WeakPolarHBondContact O-CB 3.41Å; L483-N487 PolarHBondContact O-N 3.26Å; R484-N487 PolarHBondContact O-N 3.4Å; E485-N487 PolarHBondContact O-N 2.81Å; N487-K491 WeakPolarHBondContact O-CG 3.06Å; N487-K491 PolarHBondContact O-N 2.87Å
488	T	73.4	Confident	77.9	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-66.7	-48.1	178.6	-54.5	0	0	0	0	111.2	R484 E485 I486 K491 A492 I558 F581 A584	R484-T488 VanDerWaalsContact O-CB 3.27Å; R484-T488 WeakPolarHBondContact O-CB 3.43Å; R484-T488 PolarHBondContact O-N 3.33Å; R484-T488 PolarHBondContact O-OG1 3.05Å; E485-T488 PolarHBondContact O-N 3.09Å; I486-T488 VanDerWaalsContact C-N 3.32Å; I486-T488 PolarHBondContact O-N 3.15Å; T488-K491 PolarHBondContact O-N 3.45Å; T488-A492 WeakPolarHBondContact O-CB 3.43Å; T488-A492 PolarHBondContact O-N 3.08Å; T488-A492 VanDerWaalsContact O-N 3.15Å; T488-I558 HydrophobicContact CG2-CB 4.44Å; T488-I558 HydrophobicContact CG2-CD1 3.78Å; T488-I558 HydrophobicContact CG2-CG1 3.99Å; T488-I558 HydrophobicContact CG2-CG2 3.56Å; T488-F581 HydrophobicContact CG2-CD1 4.39Å; T488-A584 HydrophobicContact CG2-CB 4Å
489	I	74.3	Confident	78.9	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-71.3	-35.1	-177.9	-53.5	163.2	0	0	0	111.5	E485 I486 K491 A492 V498 V500 F581	E485-I489 HydrophobicContact CG-CD1 3.75Å; E485-I489 VanDerWaalsContact O-CG1 3.32Å; E485-I489 WeakPolarHBondContact O-CG1 3.25Å; E485-I489 PolarHBondContact O-N 2.89Å; I486-I489 PolarHBondContact O-N 3.26Å; I489-K491 PolarHBondContact O-N 3Å; I489-A492 PolarHBondContact O-N 2.96Å; I489-A492 VanDerWaalsContact O-N 3.16Å; I489-V498 WeakPolarHBondContact CG2-O 3.3Å; I489-V500 HydrophobicContact CB-CG2 3.96Å; I489-V500 HydrophobicContact CD1-CG2 4.01Å; I489-V500 HydrophobicContact CG2-CB 4.15Å; I489-V500 HydrophobicContact CG2-CG2 3.51Å; I489-F581 HydrophobicContact CD1-CB 4.03Å; I489-F581 HydrophobicContact CD1-CD2 4.05Å; I489-F581 HydrophobicContact CD1-CG 4.34Å; I489-F581 HydrophobicContact CG1-CB 3.71Å; I489-F581 HydrophobicContact CG1-CD2 3.62Å; I489-F581 HydrophobicContact CG1-CE2 4.44Å; I489-F581 HydrophobicContact CG1-CG 3.71Å
490	L	78.5	Confident	80	Confident	78 Å²	78	50.2 Å²	50.2	41%	0.408	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-27.7	177	-73.7	173	0	0	0	113.2	I486 Q493 V500	I486-L490 HydrophobicContact CG2-CD1 3.72Å; I486-L490 WeakPolarHBondContact O-CB 3.49Å; I486-L490 VanDerWaalsContact O-CG 3.26Å; I486-L490 WeakPolarHBondContact O-CG 3.35Å; I486-L490 PolarHBondContact O-N 3.49Å; L490-Q493 PolarHBondContact O-NE2 3.13Å; L490-V500 HydrophobicContact CD2-CB 4.48Å; L490-V500 HydrophobicContact CD2-CG1 4.19Å
491	K	78.3	Confident	80.9	Confident	93 Å²	93	49.7 Å²	49.7	40%	0.404	25%	0.249	S	C	.	.	H	α-helix	trans	-76.4	-40.7	170.3	-69.2	172.1	176.4	-174.1	0	112.5	N487 T488 I489 Q493 E586	N487-K491 WeakPolarHBondContact O-CG 3.06Å; N487-K491 PolarHBondContact O-N 2.87Å; T488-K491 PolarHBondContact O-N 3.45Å; I489-K491 PolarHBondContact O-N 3Å; K491-Q493 VanDerWaalsContact C-N 3.26Å; K491-Q493 PolarHBondContact O-N 2.72Å; K491-E586 VanDerWaalsContact NZ-CD 3.29Å; K491-E586 IonicContact NZ-OE1 3.4Å; K491-E586 PolarHBondContact NZ-OE1 3.28Å; K491-E586 IonicContact NZ-OE2 3.8Å; K491-E586 PolarHBondContact NZ-OE2 3.29Å
492	A	81.7	Confident	81.8	Confident	2 Å²	2	47.7 Å²	47.7	2%	0.017	23%	0.233	C	C	.	.			trans	-81.1	50.7	-171.2	0	0	0	0	0	114.7	T488 I489 H494 I497 L553 I558	T488-A492 WeakPolarHBondContact O-CB 3.43Å; T488-A492 PolarHBondContact O-N 3.08Å; T488-A492 VanDerWaalsContact O-N 3.15Å; I489-A492 PolarHBondContact O-N 2.96Å; I489-A492 VanDerWaalsContact O-N 3.16Å; A492-H494 PolarHBondContact O-N 3.33Å; A492-I497 HydrophobicContact CB-CD1 4.07Å; A492-I497 WeakPolarHBondContact O-CG2 3.48Å; A492-L553 HydrophobicContact CB-CD2 3.61Å; A492-I558 HydrophobicContact CB-CD1 4.1Å
493	Q	87.3	Confident	82.7	Confident	128 Å²	128	49.6 Å²	49.6	60%	0.598	24%	0.242	S	C	*	.			trans	-81.6	101.7	-178	-65.1	-171.7	43.1	0	0	112.1	L490 K491	L490-Q493 PolarHBondContact O-NE2 3.13Å; K491-Q493 VanDerWaalsContact C-N 3.26Å; K491-Q493 PolarHBondContact O-N 2.72Å
494	H	93.8	Very high	83.6	Confident	42 Å²	42	45.1 Å²	45.1	19%	0.194	22%	0.219	C	C	.	.			trans	-145	148.4	-177.4	-176.1	-105.5	0	0	0	112.2	A492 N496 I497 H552	A492-H494 PolarHBondContact O-N 3.33Å; H494-N496 PolarHBondContact CE1-OD1 3.26Å; H494-N496 PolarHBondContact ND1-N 3.16Å; H494-N496 VanDerWaalsContact ND1-N 3.12Å; H494-N496 PolarHBondContact O-N 3.02Å; H494-I497 HydrophobicContact CB-CB 4.21Å; H494-I497 HydrophobicContact CB-CD1 3.77Å; H494-I497 HydrophobicContact CB-CG1 3.93Å; H494-I497 PolarHBondContact O-N 3.3Å; H494-H552 HydrophobicContact CB-CB 4.28Å; H494-H552 AromaticContact CD2-CG 3.86Å; H494-H552 AromaticContact CD2-ND1 3.8Å; H494-H552 AromaticContact CG-CG 3.81Å
495	P	94.8	Very high	84.6	Confident	88 Å²	88	40.3 Å²	40.3	57%	0.571	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.4	176.9	-30.8	38	0	0	0	114.4	I497 K577	P495-I497 VanDerWaalsContact C-N 3.35Å; P495-I497 PolarHBondContact O-N 3.37Å; P495-K577 PolarHBondContact O-NZ 3.24Å
496	N	96.4	Very high	85.3	Confident	9 Å²	9	40.5 Å²	40.5	5%	0.048	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	23.3	177.1	-56.8	114.6	0	0	0	114.7	H494 Q545 L576 K577 V578	H494-N496 PolarHBondContact CE1-OD1 3.26Å; H494-N496 PolarHBondContact ND1-N 3.16Å; H494-N496 VanDerWaalsContact ND1-N 3.12Å; H494-N496 PolarHBondContact O-N 3.02Å; N496-Q545 VanDerWaalsContact CB-O 3.26Å; N496-Q545 WeakPolarHBondContact CB-O 3.22Å; N496-Q545 WeakPolarHBondContact ND2-CB 3.28Å; N496-Q545 WeakPolarHBondContact ND2-CG 3.46Å; N496-Q545 PolarHBondContact ND2-OE1 3.44Å; N496-L576 VanDerWaalsContact CA-O 3.3Å; N496-L576 WeakPolarHBondContact CA-O 3.02Å; N496-L576 WeakPolarHBondContact CB-O 3.49Å; N496-L576 PolarHBondContact ND2-O 3.37Å; N496-K577 WeakPolarHBondContact O-CA 3.36Å; N496-V578 PolarHBondContact O-N 3.09Å
497	I	93.8	Very high	85.6	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-126.2	149.9	174.2	-62.5	178.5	0	0	0	109.9	A492 H494 P495 T499 L553 K577 F581	A492-I497 HydrophobicContact CB-CD1 4.07Å; A492-I497 WeakPolarHBondContact O-CG2 3.48Å; H494-I497 HydrophobicContact CB-CB 4.21Å; H494-I497 HydrophobicContact CB-CD1 3.77Å; H494-I497 HydrophobicContact CB-CG1 3.93Å; H494-I497 PolarHBondContact O-N 3.3Å; P495-I497 VanDerWaalsContact C-N 3.35Å; P495-I497 PolarHBondContact O-N 3.37Å; I497-T499 PolarHBondContact O-N 3.48Å; I497-L553 HydrophobicContact CD1-CD1 4.45Å; I497-L553 HydrophobicContact CD1-CD2 3.74Å; I497-L553 HydrophobicContact CD1-CG 3.81Å; I497-K577 PolarHBondContact O-NZ 3.49Å; I497-F581 HydrophobicContact CG2-CE2 3.8Å; I497-F581 HydrophobicContact CG2-CZ 3.67Å
498	V	90.8	Very high	85.7	Confident	10 Å²	10	43.9 Å²	43.9	6%	0.061	24%	0.235	C	C	.	.			trans	-70.9	111.8	172.7	175.2	0	0	0	0	110	I489 M516 L569 K577 V578	I489-V498 WeakPolarHBondContact CG2-O 3.3Å; V498-M516 HydrophobicContact CG1-CB 3.97Å; V498-M516 HydrophobicContact CG1-CG 4.24Å; V498-M516 HydrophobicContact CG1-SD 3.88Å; V498-L569 HydrophobicContact CG2-CD1 3.8Å; V498-L569 HydrophobicContact CG2-CG 4.49Å; V498-K577 HydrophobicContact CG2-CB 3.96Å; V498-V578 WeakPolarHBondContact CG2-O 3.38Å; V498-V578 PolarHBondContact N-O 2.98Å
499	T	87.8	Confident	85.5	Confident	38 Å²	38	49.7 Å²	49.7	23%	0.233	26%	0.264	C	S	.	.			trans	-78.2	125.9	-179	-32.5	0	0	0	0	111.2	I497 M516 N517	I497-T499 PolarHBondContact O-N 3.48Å; T499-M516 WeakPolarHBondContact O-CA 3.12Å; T499-N517 WeakPolarHBondContact CB-ND2 3.07Å; T499-N517 PolarHBondContact O-N 3Å; T499-N517 VanDerWaalsContact O-N 3.08Å; T499-N517 PolarHBondContact OG1-ND2 3.44Å
500	V	87.3	Confident	85.4	Confident	14 Å²	14	54.7 Å²	54.7	9%	0.085	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	132.1	163.7	169.3	0	0	0	0	109	I489 L490 I514 M516	I489-V500 HydrophobicContact CB-CG2 3.96Å; I489-V500 HydrophobicContact CD1-CG2 4.01Å; I489-V500 HydrophobicContact CG2-CB 4.15Å; I489-V500 HydrophobicContact CG2-CG2 3.51Å; L490-V500 HydrophobicContact CD2-CB 4.48Å; L490-V500 HydrophobicContact CD2-CG1 4.19Å; V500-I514 HydrophobicContact CB-CG2 4.24Å; V500-I514 HydrophobicContact CG1-CG2 3.72Å; V500-I514 HydrophobicContact CG2-CG2 3.51Å; V500-M516 HydrophobicContact CG2-CG 3.94Å
501	R	86.9	Confident	85.6	Confident	75 Å²	75	54.7 Å²	54.7	28%	0.283	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-51.6	176.3	-64.2	-178.6	173.3	-151.2	-5.1	111.5	E462 V515 N517	E462-R501 IonicContact OE2-CZ 3.18Å; E462-R501 IonicContact OE2-NH1 2.68Å; E462-R501 PolarHBondContact OE2-NH1 2.84Å; E462-R501 IonicContact OE2-NH2 2.82Å; E462-R501 PolarHBondContact OE2-NH2 3.46Å; R501-V515 HydrophobicContact CB-CB 4.43Å; R501-V515 HydrophobicContact CB-CG1 4.34Å; R501-V515 PolarHBondContact N-O 2.8Å; R501-N517 VanDerWaalsContact CZ-OD1 3.29Å; R501-N517 PolarHBondContact NE-OD1 2.89Å; R501-N517 PolarHBondContact NH2-OD1 3.05Å
502	E	86	Confident	85.9	Confident	49 Å²	49	50.9 Å²	50.9	23%	0.229	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	175.1	-174.7	61	172.7	127.5	0	0	111.2	R433 V504 V515	R433-E502 WeakPolarHBondContact CD-OE1 3.46Å; R433-E502 VanDerWaalsContact CD-OE2 3.29Å; R433-E502 WeakPolarHBondContact CD-OE2 3.49Å; R433-E502 IonicContact CZ-OE1 2.78Å; R433-E502 IonicContact NE-OE1 2.67Å; R433-E502 IonicContact NH1-OE1 3.58Å; R433-E502 PolarHBondContact NH1-OE1 3.37Å; E502-V504 HydrophobicContact CG-CG1 3.92Å; E502-V504 VanDerWaalsContact OE2-CG1 3.3Å; E502-V504 WeakPolarHBondContact OE2-CG1 3.1Å; E502-V515 HydrophobicContact CG-CB 3.8Å; E502-V515 HydrophobicContact CG-CG1 4.45Å; E502-V515 HydrophobicContact CG-CG2 3.67Å; E502-V515 PolarHBondContact O-N 3.13Å
503	I	87.4	Confident	86.2	Confident	48 Å²	48	52.1 Å²	52.1	25%	0.246	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.5	171.9	-60.8	157.8	0	0	0	107.7	C432 I486 I512	C432-I503 WeakPolarHBondContact CB-O 3.48Å; I486-I503 HydrophobicContact CB-CD1 4.47Å; I486-I503 HydrophobicContact CD1-CD1 3.62Å; I486-I503 HydrophobicContact CD1-CG1 4.33Å; I486-I503 HydrophobicContact CG1-CD1 3.92Å; I486-I503 HydrophobicContact CG1-CG1 4.46Å; I486-I503 HydrophobicContact CG2-CD1 3.71Å; I503-I512 HydrophobicContact CG2-CG2 3.71Å
504	V	89.6	Confident	86.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.6	-177.1	-58.6	0	0	0	0	111.1	R433 V435 F438 E502 Y513 V515	R433-V504 HydrophobicContact CB-CG1 3.98Å; R433-V504 WeakPolarHBondContact O-CA 3.49Å; R433-V504 VanDerWaalsContact O-CB 3.29Å; R433-V504 WeakPolarHBondContact O-CB 3.41Å; V435-V504 HydrophobicContact CB-CG2 4.12Å; V435-V504 HydrophobicContact CG2-CG2 4.12Å; F438-V504 HydrophobicContact CD2-CG2 4.48Å; F438-V504 HydrophobicContact CE2-CB 4.35Å; F438-V504 HydrophobicContact CE2-CG1 3.74Å; F438-V504 HydrophobicContact CE2-CG2 4.34Å; F438-V504 HydrophobicContact CZ-CG1 4.16Å; E502-V504 HydrophobicContact CG-CG1 3.92Å; E502-V504 VanDerWaalsContact OE2-CG1 3.3Å; E502-V504 WeakPolarHBondContact OE2-CG1 3.1Å; V504-Y513 PolarHBondContact N-O 3.42Å; V504-Y513 PolarHBondContact O-N 3.4Å; V504-V515 HydrophobicContact CB-CG2 4.21Å; V504-V515 HydrophobicContact CG1-CG2 3.55Å; V504-V515 HydrophobicContact CG2-CG2 3.65Å
505	V	88.3	Confident	86.1	Confident	53 Å²	53	44.1 Å²	44.1	32%	0.321	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141.1	-172.1	-60.3	0	0	0	0	110.2	C432 R433 S434 V435 K511 I512	C432-V505 HydrophobicContact CB-CG1 4.18Å; C432-V505 HydrophobicContact CB-CG2 4.05Å; R433-V505 PolarHBondContact O-N 3.35Å; R433-V505 VanDerWaalsContact O-N 3.09Å; S434-V505 CarbonylContact C-O 3.45Å; S434-V505 VanDerWaalsContact CA-O 3.3Å; S434-V505 WeakPolarHBondContact CA-O 3.45Å; V435-V505 PolarHBondContact N-O 3.11Å; V505-K511 CarbonylContact C-O 3.55Å; V505-I512 HydrophobicContact CG1-CG1 4.21Å; V505-I512 HydrophobicContact CG1-CG2 4.34Å
506	G	85.6	Confident	85.9	Confident	15 Å²	15	41 Å²	41	16%	0.155	22%	0.216	C	C	.	.			trans	-98.2	-173.8	169.9	0	0	0	0	0	112.5	N508 K511	G506-N508 PolarHBondContact O-N 3.41Å; G506-K511 PolarHBondContact N-O 2.99Å
507	S	81	Confident	85.7	Confident	77 Å²	77	42.7 Å²	42.7	54%	0.538	23%	0.225	S	C	.	.	S	Bend	trans	-55.2	-6.3	179.8	65.2	0	0	0	0	117.3	K511	S507-K511 PolarHBondContact OG-NZ 2.85Å
508	N	76.5	Confident	85.6	Confident	90 Å²	90	44 Å²	44	48%	0.481	23%	0.231	S	C	.	.	S	Bend	trans	-148.2	152.3	-174	-60.7	81.8	0	0	0	109.4	G506 D510 K511	G506-N508 PolarHBondContact O-N 3.41Å; N508-D510 PolarHBondContact O-N 3.14Å; N508-D510 VanDerWaalsContact O-N 3.13Å; N508-K511 HydrophobicContact CB-CG 4.43Å; N508-K511 WeakPolarHBondContact O-CB 3.32Å; N508-K511 PolarHBondContact O-N 2.9Å
509	M	69.1	Low	85.6	Confident	127 Å²	127	44.2 Å²	44.2	63%	0.626	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.4	178.3	-63.5	-168.4	75.4	0	0	114.1	M471 K511 I512	M471-M509 HydrophobicContact CE-CB 4.47Å; M471-M509 WeakPolarHBondContact CG-O 3.25Å; M509-K511 PolarHBondContact O-N 2.9Å; M509-I512 WeakPolarHBondContact O-CD1 3.31Å; M509-I512 WeakPolarHBondContact O-CG1 3.23Å
510	D	73.4	Confident	85.7	Confident	111 Å²	111	44.1 Å²	44.1	59%	0.594	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-2.2	173	-51.3	-63.3	0	0	0	114.1	N508	N508-D510 PolarHBondContact O-N 3.14Å; N508-D510 VanDerWaalsContact O-N 3.13Å
511	K	82.4	Confident	85.9	Confident	78 Å²	78	44.1 Å²	44.1	34%	0.339	23%	0.228	S	C	.	.			trans	-114.4	48.8	-175.5	-64.1	-177.5	179.7	179.6	0	111.8	V505 G506 S507 N508 M509 Y513	V505-K511 CarbonylContact C-O 3.55Å; G506-K511 PolarHBondContact N-O 2.99Å; S507-K511 PolarHBondContact OG-NZ 2.85Å; N508-K511 HydrophobicContact CB-CG 4.43Å; N508-K511 WeakPolarHBondContact O-CB 3.32Å; N508-K511 PolarHBondContact O-N 2.9Å; M509-K511 PolarHBondContact O-N 2.9Å; K511-Y513 HydrophobicContact CB-CE2 4.05Å; K511-Y513 WeakPolarHBondContact O-CD2 3.44Å; K511-Y513 WeakPolarHBondContact O-CE2 3.48Å
512	I	84.9	Confident	86.1	Confident	14 Å²	14	42.7 Å²	42.7	7%	0.072	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.6	176.5	-52.8	173.4	0	0	0	109.3	L469 M471 F478 I503 V505 M509	L469-I512 HydrophobicContact CD1-CG2 4.1Å; L469-I512 PolarHBondContact N-O 2.71Å; M471-I512 HydrophobicContact CE-CD1 4.42Å; M471-I512 HydrophobicContact SD-CD1 4.34Å; F478-I512 HydrophobicContact CD2-CD1 3.68Å; F478-I512 HydrophobicContact CE2-CD1 3.57Å; F478-I512 HydrophobicContact CE2-CG2 4.18Å; I503-I512 HydrophobicContact CG2-CG2 3.71Å; V505-I512 HydrophobicContact CG1-CG1 4.21Å; V505-I512 HydrophobicContact CG1-CG2 4.34Å; M509-I512 WeakPolarHBondContact O-CD1 3.31Å; M509-I512 WeakPolarHBondContact O-CG1 3.23Å
513	Y	87.9	Confident	86.4	Confident	28 Å²	28	40.4 Å²	40.4	11%	0.11	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.3	-174.7	-59.8	-109.8	0	0	0	110.1	V435 Y453 L466 K467 R468 V504 K511	V435-Y513 HydrophobicContact CB-CD2 4.12Å; V435-Y513 HydrophobicContact CB-CE2 4.29Å; V435-Y513 HydrophobicContact CG1-CE2 4.26Å; V435-Y513 HydrophobicContact CG2-CD1 4.49Å; V435-Y513 HydrophobicContact CG2-CD2 3.61Å; V435-Y513 HydrophobicContact CG2-CE2 3.75Å; V435-Y513 HydrophobicContact CG2-CG 4.03Å; Y453-Y513 HydrophobicContact CD2-CE1 4.25Å; Y453-Y513 HydrophobicContact CE2-CE1 4.2Å; L466-Y513 HydrophobicContact CB-CD1 4.01Å; K467-Y513 WeakPolarHBondContact O-CA 3.38Å; R468-Y513 HydrophobicContact CB-CD1 3.57Å; R468-Y513 HydrophobicContact CB-CE1 3.46Å; R468-Y513 VanDerWaalsContact CB-CE1 3.46Å; R468-Y513 HydrophobicContact CB-CG 4.35Å; R468-Y513 HydrophobicContact CG-CD1 3.96Å; R468-Y513 HydrophobicContact CG-CE1 3.64Å; R468-Y513 HydrophobicContact CG-CE2 4.17Å; R468-Y513 HydrophobicContact CG-CG 4.4Å; V504-Y513 PolarHBondContact N-O 3.42Å; V504-Y513 PolarHBondContact O-N 3.4Å; K511-Y513 HydrophobicContact CB-CE2 4.05Å; K511-Y513 WeakPolarHBondContact O-CD2 3.44Å; K511-Y513 WeakPolarHBondContact O-CE2 3.48Å
514	I	88	Confident	86.6	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.6	166.6	-58.1	-179.4	0	0	0	107.5	L466 K467 L469 I486 V500 M516	L466-I514 WeakPolarHBondContact CA-O 3.35Å; K467-I514 PolarHBondContact N-O 2.97Å; K467-I514 PolarHBondContact O-N 3.48Å; L469-I514 HydrophobicContact CD1-CD1 4.33Å; L469-I514 HydrophobicContact CD1-CG1 4.11Å; L469-I514 HydrophobicContact CD2-CD1 3.81Å; L469-I514 HydrophobicContact CD2-CG1 4.16Å; L469-I514 HydrophobicContact CG-CD1 4.29Å; L469-I514 HydrophobicContact CG-CG1 4.09Å; I486-I514 HydrophobicContact CD1-CD1 4.49Å; I486-I514 HydrophobicContact CG1-CD1 3.77Å; I486-I514 HydrophobicContact CG1-CG1 4.32Å; V500-I514 HydrophobicContact CB-CG2 4.24Å; V500-I514 HydrophobicContact CG1-CG2 3.72Å; V500-I514 HydrophobicContact CG2-CG2 3.51Å; I514-M516 HydrophobicContact CG2-CG 3.96Å; I514-M516 HydrophobicContact CG2-SD 4.47Å
515	V	90.1	Very high	86.6	Confident	1 Å²	1	41 Å²	41	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.8	175	-169.9	0	0	0	0	108.5	F438 V464 L466 R501 E502 V504	F438-V515 HydrophobicContact CE1-CG1 4.04Å; F438-V515 HydrophobicContact CE1-CG2 4.42Å; F438-V515 HydrophobicContact CZ-CG1 4.38Å; F438-V515 HydrophobicContact CZ-CG2 4.12Å; V464-V515 HydrophobicContact CB-CG1 3.95Å; V464-V515 HydrophobicContact CG1-CG1 4.11Å; V464-V515 HydrophobicContact CG2-CG1 4.06Å; L466-V515 HydrophobicContact CD2-CB 4.2Å; L466-V515 HydrophobicContact CD2-CG1 4.08Å; L466-V515 HydrophobicContact CD2-CG2 3.7Å; R501-V515 HydrophobicContact CB-CB 4.43Å; R501-V515 HydrophobicContact CB-CG1 4.34Å; R501-V515 PolarHBondContact N-O 2.8Å; E502-V515 HydrophobicContact CG-CB 3.8Å; E502-V515 HydrophobicContact CG-CG1 4.45Å; E502-V515 HydrophobicContact CG-CG2 3.67Å; E502-V515 PolarHBondContact O-N 3.13Å; V504-V515 HydrophobicContact CB-CG2 4.21Å; V504-V515 HydrophobicContact CG1-CG2 3.55Å; V504-V515 HydrophobicContact CG2-CG2 3.65Å
516	M	91.2	Very high	86.6	Confident	22 Å²	22	38.7 Å²	38.7	11%	0.108	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	157.8	-178.7	-60.9	175.7	-61.2	0	0	110.7	A465 K467 V498 T499 V500 I514 Y518	A465-M516 HydrophobicContact CB-CB 4.34Å; A465-M516 HydrophobicContact CB-CE 4.19Å; A465-M516 PolarHBondContact N-O 3.13Å; A465-M516 PolarHBondContact O-N 2.75Å; K467-M516 HydrophobicContact CB-CE 3.69Å; V498-M516 HydrophobicContact CG1-CB 3.97Å; V498-M516 HydrophobicContact CG1-CG 4.24Å; V498-M516 HydrophobicContact CG1-SD 3.88Å; T499-M516 WeakPolarHBondContact O-CA 3.12Å; V500-M516 HydrophobicContact CG2-CG 3.94Å; I514-M516 HydrophobicContact CG2-CG 3.96Å; I514-M516 HydrophobicContact CG2-SD 4.47Å; M516-Y518 PolarHBondContact O-N 2.98Å
517	N	91.2	Very high	86.9	Confident	44 Å²	44	38.2 Å²	38.2	24%	0.235	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	126.5	163.2	-77.2	-23.9	0	0	0	109.5	T499 R501	T499-N517 WeakPolarHBondContact CB-ND2 3.07Å; T499-N517 PolarHBondContact O-N 3Å; T499-N517 VanDerWaalsContact O-N 3.08Å; T499-N517 PolarHBondContact OG1-ND2 3.44Å; R501-N517 VanDerWaalsContact CZ-OD1 3.29Å; R501-N517 PolarHBondContact NE-OD1 2.89Å; R501-N517 PolarHBondContact NH2-OD1 3.05Å
518	Y	91.8	Very high	87.4	Confident	29 Å²	29	40.6 Å²	40.6	11%	0.114	20%	0.201	C	C	.	.			trans	-69.6	142.4	170.6	174.8	-118.3	0	0	0	109.6	I444 R454 I463 M516 E520 S742 E743	I444-Y518 HydrophobicContact CD1-CD2 4.06Å; I444-Y518 HydrophobicContact CD1-CE2 3.81Å; R454-Y518 WeakPolarHBondContact CD-OH 3.39Å; R454-Y518 HydrophobicContact CG-CD2 4.25Å; R454-Y518 HydrophobicContact CG-CE2 3.96Å; R454-Y518 VanDerWaalsContact NE-CZ 3.31Å; R454-Y518 PolarHBondContact NE-OH 2.66Å; I463-Y518 HydrophobicContact CB-CD1 4.14Å; I463-Y518 HydrophobicContact CG2-CD1 3.4Å; I463-Y518 HydrophobicContact CG2-CD2 4.46Å; I463-Y518 HydrophobicContact CG2-CE1 3.93Å; I463-Y518 HydrophobicContact CG2-CG 3.69Å; M516-Y518 PolarHBondContact O-N 2.98Å; Y518-E520 HydrophobicContact CD1-CG 4.31Å; Y518-E520 HydrophobicContact CE1-CB 4.35Å; Y518-E520 HydrophobicContact CE1-CG 3.78Å; Y518-S742 PolarHBondContact OH-OG 3.09Å; Y518-E743 HydrophobicContact CE1-CG 4.48Å; Y518-E743 WeakPolarHBondContact OH-CG 3.5Å
519	V	92.2	Very high	87.9	Confident	14 Å²	14	40.3 Å²	40.3	9%	0.085	20%	0.203	C	C	.	.			trans	-135.3	139	171.9	-170.6	0	0	0	0	106.3	L569 L570 K577	V519-L569 HydrophobicContact CB-CB 3.76Å; V519-L569 HydrophobicContact CB-CD1 3.92Å; V519-L569 HydrophobicContact CB-CG 4.49Å; V519-L569 HydrophobicContact CG1-CB 3.58Å; V519-L569 HydrophobicContact CG2-CB 4.3Å; V519-L569 HydrophobicContact CG2-CD1 4.17Å; V519-L570 VanDerWaalsContact CG1-C 3.47Å; V519-K577 HydrophobicContact CG2-CD 3.82Å
520	E	89.6	Confident	88.7	Confident	37 Å²	37	35.1 Å²	35.1	17%	0.173	18%	0.177	C	C	.	.	S	Bend	trans	-85.4	-29.8	-153.1	-52.5	96.6	113	0	0	113	Y518 S571 H572 A740 S742	Y518-E520 HydrophobicContact CD1-CG 4.31Å; Y518-E520 HydrophobicContact CE1-CB 4.35Å; Y518-E520 HydrophobicContact CE1-CG 3.78Å; E520-S571 VanDerWaalsContact OE2-CA 3.23Å; E520-S571 WeakPolarHBondContact OE2-CA 3.42Å; E520-S571 VanDerWaalsContact OE2-CB 3.3Å; E520-S571 WeakPolarHBondContact OE2-CB 3.49Å; E520-H572 VanDerWaalsContact CB-CE1 3.47Å; E520-H572 WeakPolarHBondContact CB-CE1 3.47Å; E520-H572 WeakPolarHBondContact CG-ND1 3.4Å; E520-H572 IonicContact OE1-CE1 2.69Å; E520-H572 IonicContact OE1-CG 2.7Å; E520-H572 PolarHBondContact OE1-N 3.16Å; E520-H572 IonicContact OE1-ND1 2.7Å; E520-H572 PolarHBondContact OE1-ND1 3.24Å; E520-A740 HydrophobicContact CB-CB 3.94Å; E520-A740 WeakPolarHBondContact O-CB 3.07Å; E520-S742 PolarHBondContact O-OG 3.2Å; E520-S742 VanDerWaalsContact O-OG 3.04Å
521	H	90.4	Very high	89.2	Confident	13 Å²	13	39.8 Å²	39.8	6%	0.06	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.8	-178.8	-54.6	-90.7	0	0	0	111.9	L526 L569 L570 H572 W738 A740	H521-L526 HydrophobicContact CB-CB 4.43Å; H521-L526 HydrophobicContact CB-CD2 4.38Å; H521-L569 CarbonylContact O-C 3.31Å; H521-L569 VanDerWaalsContact O-CA 3.23Å; H521-L569 WeakPolarHBondContact O-CA 3.31Å; H521-L570 WeakPolarHBondContact CB-O 3.43Å; H521-L570 PolarHBondContact CD2-O 2.94Å; H521-L570 PolarHBondContact N-O 3.03Å; H521-L570 PolarHBondContact O-N 3.35Å; H521-H572 AromaticContact CE1-NE2 4Å; H521-H572 AromaticContact NE2-CD2 3.54Å; H521-H572 AromaticContact NE2-CE1 3.81Å; H521-H572 AromaticContact NE2-NE2 3.1Å; H521-H572 PolarHBondContact NE2-NE2 3.37Å; H521-H572 VanDerWaalsContact NE2-NE2 3.1Å; H521-W738 PolarHBondContact CE1-O 2.92Å; H521-W738 PolarHBondContact NE2-O 3.49Å; H521-W738 VanDerWaalsContact NE2-O 3.1Å; H521-A740 WeakPolarHBondContact CE1-CA 3.4Å; H521-A740 PolarHBondContact CE1-N 3.18Å
522	D	91.4	Very high	89.3	Confident	46 Å²	46	43.1 Å²	43.1	25%	0.246	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.3	154.4	69.1	98	0	0	0	109.7	K524 S525 L526 L569	D522-K524 VanDerWaalsContact C-N 3.26Å; D522-K524 PolarHBondContact O-N 2.68Å; D522-S525 PolarHBondContact O-N 2.69Å; D522-S525 WeakPolarHBondContact OD1-CA 3.39Å; D522-S525 WeakPolarHBondContact OD1-CB 3.44Å; D522-S525 PolarHBondContact OD1-N 3.14Å; D522-S525 PolarHBondContact OD1-OG 2.86Å; D522-S525 WeakPolarHBondContact OD2-CB 3.48Å; D522-S525 PolarHBondContact OD2-OG 3.37Å; D522-L526 WeakPolarHBondContact O-CB 3.29Å; D522-L526 PolarHBondContact O-N 3.36Å; D522-L569 HydrophobicContact CB-CD2 3.86Å
523	L	92.2	Very high	89.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-32.7	-168.5	-165.4	57.6	0	0	0	111.3	L526 M527 F534 T565 L568 L570 L576 L631	L523-L526 HydrophobicContact CD1-CD2 4.37Å; L523-L526 PolarHBondContact O-N 2.84Å; L523-M527 HydrophobicContact CG-SD 4.05Å; L523-M527 WeakPolarHBondContact O-CB 3.38Å; L523-M527 WeakPolarHBondContact O-CG 3.41Å; L523-M527 PolarHBondContact O-N 3.09Å; L523-F534 HydrophobicContact CD1-CE2 3.72Å; L523-F534 HydrophobicContact CD1-CZ 3.58Å; L523-T565 WeakPolarHBondContact CB-O 3.41Å; L523-T565 PolarHBondContact N-O 3.2Å; L523-L568 HydrophobicContact CB-CB 4.11Å; L523-L568 VanDerWaalsContact CB-O 3.29Å; L523-L568 WeakPolarHBondContact CB-O 3.46Å; L523-L568 HydrophobicContact CD2-CB 3.92Å; L523-L568 HydrophobicContact CD2-CD1 4.03Å; L523-L568 PolarHBondContact N-O 3.13Å; L523-L570 HydrophobicContact CD1-CB 4.45Å; L523-L570 HydrophobicContact CD1-CD2 4.17Å; L523-L576 HydrophobicContact CD2-CD1 4.14Å; L523-L631 HydrophobicContact CD2-CD2 4.01Å; L523-L631 HydrophobicContact CG-CD2 4.38Å
524	K	91.3	Very high	89.7	Confident	37 Å²	37	44.3 Å²	44.3	16%	0.161	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-54.9	173.8	-176.1	51.2	168.8	-179.3	0	112.2	D522 L526 M527 E528 T565 E630	D522-K524 VanDerWaalsContact C-N 3.26Å; D522-K524 PolarHBondContact O-N 2.68Å; K524-L526 VanDerWaalsContact C-N 3.25Å; K524-L526 PolarHBondContact O-N 3.12Å; K524-M527 PolarHBondContact O-N 3.32Å; K524-E528 WeakPolarHBondContact CE-OE1 3.33Å; K524-E528 WeakPolarHBondContact O-CG 3.46Å; K524-E528 PolarHBondContact O-N 2.79Å; K524-E528 VanDerWaalsContact O-N 3.14Å; K524-T565 PolarHBondContact N-O 2.63Å; K524-E630 IonicContact NZ-OE1 3.98Å; K524-E630 PolarHBondContact NZ-OE1 2.93Å
525	S	89.5	Confident	89.9	Confident	25 Å²	25	49.5 Å²	49.5	18%	0.175	25%	0.248	C	C	.	.	H	α-helix	trans	-57.2	-40	176.6	-86.9	0	0	0	0	113.2	D522 E528 T529 K741	D522-S525 PolarHBondContact O-N 2.69Å; D522-S525 WeakPolarHBondContact OD1-CA 3.39Å; D522-S525 WeakPolarHBondContact OD1-CB 3.44Å; D522-S525 PolarHBondContact OD1-N 3.14Å; D522-S525 PolarHBondContact OD1-OG 2.86Å; D522-S525 WeakPolarHBondContact OD2-CB 3.48Å; D522-S525 PolarHBondContact OD2-OG 3.37Å; S525-E528 PolarHBondContact O-N 3.02Å; S525-T529 PolarHBondContact O-N 2.55Å; S525-T529 PolarHBondContact O-OG1 3.19Å; S525-K741 WeakPolarHBondContact O-CE 3.25Å; S525-K741 PolarHBondContact O-NZ 2.96Å; S525-K741 PolarHBondContact OG-NZ 3.32Å
526	L	90.1	Very high	90.1	Very high	3 Å²	3	52 Å²	52	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-53.8	179.3	176.2	56.9	0	0	0	109.8	H521 D522 L523 K524 E528 T529 M530 F534 L570 W738	H521-L526 HydrophobicContact CB-CB 4.43Å; H521-L526 HydrophobicContact CB-CD2 4.38Å; D522-L526 WeakPolarHBondContact O-CB 3.29Å; D522-L526 PolarHBondContact O-N 3.36Å; L523-L526 HydrophobicContact CD1-CD2 4.37Å; L523-L526 PolarHBondContact O-N 2.84Å; K524-L526 VanDerWaalsContact C-N 3.25Å; K524-L526 PolarHBondContact O-N 3.12Å; L526-E528 PolarHBondContact O-N 3.28Å; L526-T529 WeakPolarHBondContact O-CA 3.39Å; L526-T529 PolarHBondContact O-N 2.92Å; L526-T529 PolarHBondContact O-OG1 3.29Å; L526-M530 HydrophobicContact CD1-CG 3.86Å; L526-M530 HydrophobicContact CD1-SD 4.18Å; L526-M530 HydrophobicContact CG-CE 4.43Å; L526-M530 HydrophobicContact CG-CG 4.12Å; L526-M530 HydrophobicContact CG-SD 4.04Å; L526-M530 WeakPolarHBondContact O-CG 3.43Å; L526-M530 PolarHBondContact O-N 2.89Å; L526-F534 HydrophobicContact CD2-CZ 4.17Å; L526-L570 HydrophobicContact CD2-CD2 3.81Å; L526-W738 HydrophobicContact CD1-CB 3.68Å; L526-W738 HydrophobicContact CD1-CD2 3.66Å; L526-W738 HydrophobicContact CD1-CE3 3.99Å; L526-W738 HydrophobicContact CD1-CG 3.52Å; L526-W738 HydrophobicContact CD2-CD2 4.3Å; L526-W738 HydrophobicContact CD2-CE3 3.82Å; L526-W738 HydrophobicContact CD2-CZ3 4.08Å; L526-W738 HydrophobicContact CG-CE3 4.5Å
527	M	91.7	Very high	90.2	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-30.2	179.8	-69.1	167.3	70.8	0	0	113.6	L523 K524 T529 M530 F534 T565 E630 L631 Q634	L523-M527 HydrophobicContact CG-SD 4.05Å; L523-M527 WeakPolarHBondContact O-CB 3.38Å; L523-M527 WeakPolarHBondContact O-CG 3.41Å; L523-M527 PolarHBondContact O-N 3.09Å; K524-M527 PolarHBondContact O-N 3.32Å; M527-T529 VanDerWaalsContact C-N 3.27Å; M527-T529 PolarHBondContact O-N 3.28Å; M527-M530 HydrophobicContact CB-CE 4.44Å; M527-M530 HydrophobicContact CG-CE 3.87Å; M527-F534 HydrophobicContact CG-CD2 4.47Å; M527-F534 HydrophobicContact CG-CE2 3.75Å; M527-F534 HydrophobicContact CG-CZ 4.49Å; M527-F534 HydrophobicContact SD-CE2 4.09Å; M527-T565 HydrophobicContact SD-CG2 4.43Å; M527-E630 HydrophobicContact CE-CG 3.81Å; M527-E630 WeakPolarHBondContact CE-O 3.25Å; M527-L631 HydrophobicContact CE-CD2 4.21Å; M527-L631 HydrophobicContact SD-CD2 3.91Å; M527-Q634 PolarHBondContact O-NE2 3.34Å
528	E	90.1	Very high	90.4	Very high	126 Å²	126	49.8 Å²	49.8	59%	0.589	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.9	172.6	-71.3	174.4	176.7	0	0	114.4	K524 S525 L526 K741	K524-E528 WeakPolarHBondContact CE-OE1 3.33Å; K524-E528 WeakPolarHBondContact O-CG 3.46Å; K524-E528 PolarHBondContact O-N 2.79Å; K524-E528 VanDerWaalsContact O-N 3.14Å; S525-E528 PolarHBondContact O-N 3.02Å; L526-E528 PolarHBondContact O-N 3.28Å; E528-K741 IonicContact OE2-NZ 2.7Å
529	T	86.9	Confident	90.7	Very high	84 Å²	84	48.4 Å²	48.4	52%	0.515	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-19	179.1	56.5	0	0	0	0	114.4	S525 L526 M527	S525-T529 PolarHBondContact O-N 2.55Å; S525-T529 PolarHBondContact O-OG1 3.19Å; L526-T529 WeakPolarHBondContact O-CA 3.39Å; L526-T529 PolarHBondContact O-N 2.92Å; L526-T529 PolarHBondContact O-OG1 3.29Å; M527-T529 VanDerWaalsContact C-N 3.27Å; M527-T529 PolarHBondContact O-N 3.28Å
530	M	86.8	Confident	90.9	Very high	19 Å²	19	47.8 Å²	47.8	9%	0.094	24%	0.244	C	C	.	.			trans	-71.2	128.7	175.8	-65.7	-164.5	-59.2	0	0	111.4	L526 M527 Q532 F534 Q634 W738	L526-M530 HydrophobicContact CD1-CG 3.86Å; L526-M530 HydrophobicContact CD1-SD 4.18Å; L526-M530 HydrophobicContact CG-CE 4.43Å; L526-M530 HydrophobicContact CG-CG 4.12Å; L526-M530 HydrophobicContact CG-SD 4.04Å; L526-M530 WeakPolarHBondContact O-CG 3.43Å; L526-M530 PolarHBondContact O-N 2.89Å; M527-M530 HydrophobicContact CB-CE 4.44Å; M527-M530 HydrophobicContact CG-CE 3.87Å; M530-Q532 WeakPolarHBondContact CB-O 3.4Å; M530-Q532 PolarHBondContact O-N 2.82Å; M530-F534 HydrophobicContact CE-CD1 3.96Å; M530-F534 HydrophobicContact CE-CD2 3.82Å; M530-F534 HydrophobicContact CE-CE1 3.65Å; M530-F534 HydrophobicContact CE-CE2 3.5Å; M530-F534 VanDerWaalsContact CE-CE2 3.5Å; M530-F534 HydrophobicContact CE-CG 4.05Å; M530-F534 HydrophobicContact CE-CZ 3.4Å; M530-F534 HydrophobicContact SD-CD1 4.38Å; M530-F534 HydrophobicContact SD-CE1 3.91Å; M530-F534 HydrophobicContact SD-CZ 4.1Å; M530-Q634 PolarHBondContact O-NE2 3.25Å; M530-W738 HydrophobicContact SD-CD2 4.33Å; M530-W738 VanDerWaalsContact SD-CE2 3.51Å; M530-W738 HydrophobicContact SD-CH2 4.12Å; M530-W738 HydrophobicContact SD-CZ2 3.39Å; M530-W738 WeakPolarHBondContact SD-CZ2 3.36Å
531	K	83.6	Confident	91.3	Very high	209 Å²	209	46.4 Å²	46.4	91%	0.909	24%	0.238	S	C	*	.	S	Bend	trans	-71.2	-17.1	179.8	-65.7	-179	-179.8	175.5	0	114.2
532	Q	84.7	Confident	91.6	Very high	148 Å²	148	45.8 Å²	45.8	69%	0.692	24%	0.235	S	C	*	.	S	Bend	trans	-136.4	153.4	179.6	-71.1	179.1	-35	0	0	108.6	M530 Q634	M530-Q532 WeakPolarHBondContact CB-O 3.4Å; M530-Q532 PolarHBondContact O-N 2.82Å; Q532-Q634 PolarHBondContact O-NE2 3.02Å
533	P	88.6	Confident	92	Very high	58 Å²	58	43.6 Å²	43.6	38%	0.377	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-60.8	164.6	168.7	-20.5	32.4	0	0	0	112.1	Q634	P533-Q634 HydrophobicContact CB-CG 3.99Å; P533-Q634 HydrophobicContact CG-CG 4.08Å; P533-Q634 VanDerWaalsContact N-OE1 3.17Å
534	F	92	Very high	92.3	Very high	9 Å²	9	44.9 Å²	44.9	4%	0.039	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-59.8	139.8	165.3	-69.7	-67.5	0	0	0	110.3	L523 L526 M527 M530 E538 V539 L542 L570 L631 W738	L523-F534 HydrophobicContact CD1-CE2 3.72Å; L523-F534 HydrophobicContact CD1-CZ 3.58Å; L526-F534 HydrophobicContact CD2-CZ 4.17Å; M527-F534 HydrophobicContact CG-CD2 4.47Å; M527-F534 HydrophobicContact CG-CE2 3.75Å; M527-F534 HydrophobicContact CG-CZ 4.49Å; M527-F534 HydrophobicContact SD-CE2 4.09Å; M530-F534 HydrophobicContact CE-CD1 3.96Å; M530-F534 HydrophobicContact CE-CD2 3.82Å; M530-F534 HydrophobicContact CE-CE1 3.65Å; M530-F534 HydrophobicContact CE-CE2 3.5Å; M530-F534 VanDerWaalsContact CE-CE2 3.5Å; M530-F534 HydrophobicContact CE-CG 4.05Å; M530-F534 HydrophobicContact CE-CZ 3.4Å; M530-F534 HydrophobicContact SD-CD1 4.38Å; M530-F534 HydrophobicContact SD-CE1 3.91Å; M530-F534 HydrophobicContact SD-CZ 4.1Å; F534-E538 VanDerWaalsContact CA-OE2 3.25Å; F534-E538 WeakPolarHBondContact CA-OE2 3.48Å; F534-E538 HydrophobicContact CB-CB 4.1Å; F534-E538 HydrophobicContact CD1-CB 4.18Å; F534-V539 HydrophobicContact CB-CG2 3.56Å; F534-L542 HydrophobicContact CD1-CD1 4.11Å; F534-L542 HydrophobicContact CD2-CD1 3.9Å; F534-L542 HydrophobicContact CE1-CD1 3.99Å; F534-L542 HydrophobicContact CE2-CD1 3.77Å; F534-L542 HydrophobicContact CG-CD1 4.06Å; F534-L542 HydrophobicContact CZ-CD1 3.82Å; F534-L570 HydrophobicContact CZ-CD2 4.42Å; F534-L631 HydrophobicContact CD2-CD2 3.65Å; F534-L631 HydrophobicContact CE2-CD2 3.66Å; F534-W738 HydrophobicContact CD1-CH2 4.38Å; F534-W738 AromaticContact CE1-CH2 3.73Å; F534-W738 HydrophobicContact CE1-CH2 3.73Å; F534-W738 HydrophobicContact CE1-CZ2 4.3Å; F534-W738 HydrophobicContact CE1-CZ3 4.35Å
535	L	92.9	Very high	92.6	Very high	110 Å²	110	43.6 Å²	43.6	58%	0.576	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-67	152.4	172.9	-60.1	177.4	0	0	0	110.2	G537 E538 V539	L535-G537 PolarHBondContact O-N 3.36Å; L535-G537 VanDerWaalsContact O-N 3.11Å; L535-E538 HydrophobicContact CB-CG 4.22Å; L535-E538 PolarHBondContact N-OE2 2.75Å; L535-E538 WeakPolarHBondContact O-CA 3.44Å; L535-E538 WeakPolarHBondContact O-CB 3.5Å; L535-E538 PolarHBondContact O-N 3.16Å; L535-V539 PolarHBondContact O-N 2.87Å
536	P	93.6	Very high	93	Very high	53 Å²	53	42.4 Å²	42.4	34%	0.344	22%	0.216	S	C	.	.	H	α-helix	trans	-57.4	-33	-175.7	-27.2	35.4	0	0	0	114.4	V539 K540 P727	P536-V539 PolarHBondContact O-N 3.33Å; P536-K540 WeakPolarHBondContact O-CB 3.18Å; P536-K540 WeakPolarHBondContact O-CG 3.48Å; P536-K540 PolarHBondContact O-N 2.98Å; P536-P727 HydrophobicContact CB-CG 3.85Å
537	G	94.9	Very high	93.4	Very high	5 Å²	5	42.3 Å²	42.3	5%	0.052	22%	0.215	C	C	.	.	H	α-helix	trans	-69.3	-33.1	173.2	0	0	0	0	0	114.2	L535 T541 L728 I730	L535-G537 PolarHBondContact O-N 3.36Å; L535-G537 VanDerWaalsContact O-N 3.11Å; G537-T541 PolarHBondContact O-N 2.87Å; G537-T541 PolarHBondContact O-OG1 3.03Å; G537-L728 VanDerWaalsContact CA-O 3.3Å; G537-L728 WeakPolarHBondContact CA-O 3.48Å; G537-I730 PolarHBondContact O-N 3.21Å
538	E	95	Very high	93.7	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.07	24%	0.239	C	C	.	.	H	α-helix	trans	-68.2	-46.9	170.8	-64.6	174	144	0	0	110.1	F534 L535 K540 T541 L542 I730 F735 P736	F534-E538 VanDerWaalsContact CA-OE2 3.25Å; F534-E538 WeakPolarHBondContact CA-OE2 3.48Å; F534-E538 HydrophobicContact CB-CB 4.1Å; F534-E538 HydrophobicContact CD1-CB 4.18Å; L535-E538 HydrophobicContact CB-CG 4.22Å; L535-E538 PolarHBondContact N-OE2 2.75Å; L535-E538 WeakPolarHBondContact O-CA 3.44Å; L535-E538 WeakPolarHBondContact O-CB 3.5Å; L535-E538 PolarHBondContact O-N 3.16Å; E538-K540 VanDerWaalsContact C-N 3.32Å; E538-K540 PolarHBondContact O-N 3.29Å; E538-T541 PolarHBondContact O-N 3.43Å; E538-T541 VanDerWaalsContact O-N 3.13Å; E538-L542 WeakPolarHBondContact O-CG 3.35Å; E538-L542 PolarHBondContact O-N 3.43Å; E538-I730 HydrophobicContact CG-CD1 3.59Å; E538-I730 HydrophobicContact CG-CG1 4.28Å; E538-F735 HydrophobicContact CB-CE1 3.94Å; E538-F735 HydrophobicContact CB-CZ 3.87Å; E538-F735 HydrophobicContact CG-CE1 4.2Å; E538-F735 HydrophobicContact CG-CZ 4.24Å; E538-P736 WeakPolarHBondContact OE1-CD 3.45Å
539	V	96.5	Very high	94.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-44.3	176.9	179.1	0	0	0	0	110.8	F534 L535 P536 T541 L542 M543 F628 L631 L632	F534-V539 HydrophobicContact CB-CG2 3.56Å; L535-V539 PolarHBondContact O-N 2.87Å; P536-V539 PolarHBondContact O-N 3.33Å; V539-T541 PolarHBondContact O-N 3.25Å; V539-L542 PolarHBondContact O-N 3.43Å; V539-M543 HydrophobicContact CG1-CG 4.16Å; V539-M543 VanDerWaalsContact O-CB 3.31Å; V539-M543 WeakPolarHBondContact O-CB 3.33Å; V539-M543 VanDerWaalsContact O-CG 3.23Å; V539-M543 WeakPolarHBondContact O-CG 3.15Å; V539-M543 PolarHBondContact O-N 3.15Å; V539-F628 HydrophobicContact CG1-CD2 3.82Å; V539-F628 HydrophobicContact CG1-CE2 3.78Å; V539-L631 HydrophobicContact CG1-CB 4.08Å; V539-L631 HydrophobicContact CG1-CD1 4.35Å; V539-L631 HydrophobicContact CG2-CB 4.25Å; V539-L632 HydrophobicContact CG1-CD2 4.13Å; V539-L632 HydrophobicContact CG1-CG 4.35Å; V539-L632 HydrophobicContact CG2-CD2 4.34Å
540	K	97.4	Very high	94.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.6	-46.4	174.8	-77.5	177.8	-173.1	-166.7	0	111.8	P536 E538 M543 I544 Y722 F723 E725 P727 P729	P536-K540 WeakPolarHBondContact O-CB 3.18Å; P536-K540 WeakPolarHBondContact O-CG 3.48Å; P536-K540 PolarHBondContact O-N 2.98Å; E538-K540 VanDerWaalsContact C-N 3.32Å; E538-K540 PolarHBondContact O-N 3.29Å; K540-M543 PolarHBondContact O-N 2.79Å; K540-I544 VanDerWaalsContact O-CG1 3.29Å; K540-I544 WeakPolarHBondContact O-CG1 3.48Å; K540-I544 PolarHBondContact O-N 3.21Å; K540-Y722 HydrophobicContact CD-CE1 4.29Å; K540-Y722 WeakPolarHBondContact CD-O 3.5Å; K540-Y722 WeakPolarHBondContact CE-O 3.38Å; K540-Y722 HydrophobicContact CG-CD1 4.19Å; K540-Y722 HydrophobicContact CG-CE1 3.57Å; K540-Y722 PolarHBondContact NZ-O 3.17Å; K540-F723 HydrophobicContact CB-CD1 4.1Å; K540-F723 HydrophobicContact CB-CE1 4.33Å; K540-F723 HydrophobicContact CG-CD1 4.1Å; K540-F723 HydrophobicContact CG-CE1 4.33Å; K540-E725 PolarHBondContact NZ-O 3.09Å; K540-E725 IonicContact NZ-OE1 3.57Å; K540-E725 PolarHBondContact NZ-OE1 3.07Å; K540-P727 VanDerWaalsContact CD-O 3.28Å; K540-P727 WeakPolarHBondContact CD-O 3.31Å; K540-P727 WeakPolarHBondContact CE-O 3.49Å; K540-P727 PolarHBondContact NZ-O 3.44Å; K540-P729 HydrophobicContact CB-CB 4.04Å; K540-P729 HydrophobicContact CB-CG 4.03Å
541	T	97.5	Very high	95.1	Very high	8 Å²	8	39.7 Å²	39.7	5%	0.049	19%	0.191	C	C	.	.	H	α-helix	trans	-67.2	-38.8	178.7	-63.2	0	0	0	0	113.3	G537 E538 V539 Q545 P729 I730 P732 F735	G537-T541 PolarHBondContact O-N 2.87Å; G537-T541 PolarHBondContact O-OG1 3.03Å; E538-T541 PolarHBondContact O-N 3.43Å; E538-T541 VanDerWaalsContact O-N 3.13Å; V539-T541 PolarHBondContact O-N 3.25Å; T541-Q545 WeakPolarHBondContact O-CB 3.3Å; T541-Q545 WeakPolarHBondContact O-CG 3.49Å; T541-Q545 PolarHBondContact O-N 3.34Å; T541-Q545 VanDerWaalsContact O-N 3.13Å; T541-P729 WeakPolarHBondContact OG1-CA 3.35Å; T541-P729 VanDerWaalsContact OG1-CB 3.24Å; T541-P729 WeakPolarHBondContact OG1-CB 3.23Å; T541-I730 WeakPolarHBondContact CB-O 3.21Å; T541-I730 WeakPolarHBondContact CG2-O 3.5Å; T541-I730 PolarHBondContact OG1-N 3.49Å; T541-I730 PolarHBondContact OG1-O 3.4Å; T541-P732 HydrophobicContact CG2-CG 4.18Å; T541-F735 HydrophobicContact CG2-CE2 3.72Å; T541-F735 HydrophobicContact CG2-CZ 4.19Å
542	L	97.7	Very high	95.7	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-64.3	-42.4	173.2	-66	175.8	0	0	0	111.4	F534 E538 V539 Q545 L546 L570 L576 L631 F735	F534-L542 HydrophobicContact CD1-CD1 4.11Å; F534-L542 HydrophobicContact CD2-CD1 3.9Å; F534-L542 HydrophobicContact CE1-CD1 3.99Å; F534-L542 HydrophobicContact CE2-CD1 3.77Å; F534-L542 HydrophobicContact CG-CD1 4.06Å; F534-L542 HydrophobicContact CZ-CD1 3.82Å; E538-L542 WeakPolarHBondContact O-CG 3.35Å; E538-L542 PolarHBondContact O-N 3.43Å; V539-L542 PolarHBondContact O-N 3.43Å; L542-Q545 PolarHBondContact O-N 3.19Å; L542-L546 WeakPolarHBondContact O-CB 3.41Å; L542-L546 PolarHBondContact O-N 2.83Å; L542-L570 HydrophobicContact CD2-CD1 3.77Å; L542-L570 HydrophobicContact CD2-CD2 4.27Å; L542-L576 HydrophobicContact CB-CD1 4.16Å; L542-L576 HydrophobicContact CD2-CB 4.21Å; L542-L576 HydrophobicContact CD2-CD1 3.93Å; L542-L631 HydrophobicContact CB-CD1 4.37Å; L542-L631 HydrophobicContact CD1-CD2 4Å; L542-F735 HydrophobicContact CD1-CE1 4.26Å; L542-F735 HydrophobicContact CD2-CE1 3.81Å; L542-F735 HydrophobicContact CD2-CZ 3.96Å; L542-F735 HydrophobicContact CG-CE1 3.92Å; L542-F735 HydrophobicContact CG-CZ 3.91Å
543	M	98.4	Very high	96.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.5	-42.7	178.6	-74.5	-63.1	-62.2	0	0	112.6	V539 K540 Q545 L546 L547 V624 F628 L631 F703 F723	V539-M543 HydrophobicContact CG1-CG 4.16Å; V539-M543 VanDerWaalsContact O-CB 3.31Å; V539-M543 WeakPolarHBondContact O-CB 3.33Å; V539-M543 VanDerWaalsContact O-CG 3.23Å; V539-M543 WeakPolarHBondContact O-CG 3.15Å; V539-M543 PolarHBondContact O-N 3.15Å; K540-M543 PolarHBondContact O-N 2.79Å; M543-Q545 VanDerWaalsContact C-N 3.33Å; M543-Q545 PolarHBondContact O-N 2.85Å; M543-L546 PolarHBondContact O-N 3.31Å; M543-L546 HydrophobicContact SD-CD2 4.33Å; M543-L547 WeakPolarHBondContact O-CB 3.46Å; M543-L547 WeakPolarHBondContact O-CD1 3.12Å; M543-L547 VanDerWaalsContact O-CG 3.22Å; M543-L547 WeakPolarHBondContact O-CG 3.42Å; M543-L547 PolarHBondContact O-N 3.01Å; M543-V624 HydrophobicContact CE-CG1 3.59Å; M543-F628 HydrophobicContact CE-CB 3.69Å; M543-F628 HydrophobicContact CE-CD1 4.46Å; M543-F628 HydrophobicContact CE-CD2 4.26Å; M543-F628 HydrophobicContact CE-CG 3.91Å; M543-F628 HydrophobicContact CG-CD2 3.84Å; M543-F628 HydrophobicContact CG-CE2 4.37Å; M543-F628 HydrophobicContact CG-CG 4.44Å; M543-F628 HydrophobicContact SD-CB 3.73Å; M543-F628 HydrophobicContact SD-CD2 4.02Å; M543-F628 HydrophobicContact SD-CG 4.09Å; M543-L631 HydrophobicContact CG-CD1 4.33Å; M543-L631 HydrophobicContact SD-CD1 4.07Å; M543-F703 HydrophobicContact CE-CE2 3.75Å; M543-F703 HydrophobicContact CE-CZ 4.22Å; M543-F723 HydrophobicContact CB-CE1 3.85Å; M543-F723 HydrophobicContact CB-CZ 3.94Å
544	I	98.4	Very high	96.4	Very high	26 Å²	26	22.4 Å²	22.4	13%	0.133	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-44.6	174.1	-69.9	163.8	0	0	0	110.7	K540 L547 R548 L718 F723 P729	K540-I544 VanDerWaalsContact O-CG1 3.29Å; K540-I544 WeakPolarHBondContact O-CG1 3.48Å; K540-I544 PolarHBondContact O-N 3.21Å; I544-L547 PolarHBondContact O-N 2.99Å; I544-R548 WeakPolarHBondContact O-CB 3.32Å; I544-R548 VanDerWaalsContact O-CG 3.3Å; I544-R548 WeakPolarHBondContact O-CG 3.32Å; I544-R548 PolarHBondContact O-N 2.84Å; I544-L718 HydrophobicContact CG2-CD2 4.14Å; I544-F723 HydrophobicContact CD1-CB 4.13Å; I544-F723 HydrophobicContact CD1-CD1 3.67Å; I544-F723 HydrophobicContact CD1-CE1 4.37Å; I544-F723 HydrophobicContact CD1-CG 4.05Å; I544-F723 HydrophobicContact CG1-CB 4.43Å; I544-F723 HydrophobicContact CG1-CD1 3.49Å; I544-F723 VanDerWaalsContact CG1-CD1 3.49Å; I544-F723 HydrophobicContact CG1-CD2 4.47Å; I544-F723 HydrophobicContact CG1-CE1 3.77Å; I544-F723 HydrophobicContact CG1-CG 3.87Å; I544-F723 HydrophobicContact CG1-CZ 4.37Å; I544-P729 HydrophobicContact CD1-CB 3.81Å; I544-P729 HydrophobicContact CD1-CG 3.51Å
545	Q	98.3	Very high	96.4	Very high	10 Å²	10	26 Å²	26	5%	0.047	13%	0.128	C	C	.	.	H	α-helix	trans	-65.9	-41.3	178.3	-75.5	-171.7	83.4	0	0	112.7	N496 T541 L542 M543 R548 G549 G574 L576	N496-Q545 VanDerWaalsContact CB-O 3.26Å; N496-Q545 WeakPolarHBondContact CB-O 3.22Å; N496-Q545 WeakPolarHBondContact ND2-CB 3.28Å; N496-Q545 WeakPolarHBondContact ND2-CG 3.46Å; N496-Q545 PolarHBondContact ND2-OE1 3.44Å; T541-Q545 WeakPolarHBondContact O-CB 3.3Å; T541-Q545 WeakPolarHBondContact O-CG 3.49Å; T541-Q545 PolarHBondContact O-N 3.34Å; T541-Q545 VanDerWaalsContact O-N 3.13Å; L542-Q545 PolarHBondContact O-N 3.19Å; M543-Q545 VanDerWaalsContact C-N 3.33Å; M543-Q545 PolarHBondContact O-N 2.85Å; Q545-R548 PolarHBondContact O-N 3.39Å; Q545-G549 PolarHBondContact O-N 2.88Å; Q545-G574 PolarHBondContact NE2-O 2.72Å; Q545-L576 HydrophobicContact CB-CB 4Å; Q545-L576 HydrophobicContact CB-CD2 4.38Å
546	L	98.5	Very high	96.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-49	174.4	176.9	58	0	0	0	110.9	L542 M543 R548 G549 V550 L568 L576 V578 V624 I627	L542-L546 WeakPolarHBondContact O-CB 3.41Å; L542-L546 PolarHBondContact O-N 2.83Å; M543-L546 PolarHBondContact O-N 3.31Å; M543-L546 HydrophobicContact SD-CD2 4.33Å; L546-R548 PolarHBondContact O-N 2.73Å; L546-G549 PolarHBondContact O-N 3.42Å; L546-V550 HydrophobicContact CD1-CG2 4.03Å; L546-V550 HydrophobicContact CG-CG2 4.48Å; L546-V550 WeakPolarHBondContact O-CG2 3.47Å; L546-V550 PolarHBondContact O-N 3.17Å; L546-L568 HydrophobicContact CD1-CD1 4Å; L546-L568 HydrophobicContact CD1-CD2 3.68Å; L546-L568 HydrophobicContact CD2-CD1 4.03Å; L546-L576 HydrophobicContact CB-CD2 4.13Å; L546-V578 HydrophobicContact CD1-CG2 3.93Å; L546-V624 HydrophobicContact CD2-CG1 4.2Å; L546-V624 HydrophobicContact CD2-CG2 4.13Å; L546-V624 HydrophobicContact CG-CG2 4.22Å; L546-I627 HydrophobicContact CD2-CB 4.46Å; L546-I627 HydrophobicContact CD2-CD1 4.39Å; L546-I627 HydrophobicContact CD2-CG2 3.94Å
547	L	98.6	Very high	96.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63	-39.5	179	-72.2	165.9	0	0	0	112.4	M543 I544 V550 K551 M621 V624 F703 L718 F723	M543-L547 WeakPolarHBondContact O-CB 3.46Å; M543-L547 WeakPolarHBondContact O-CD1 3.12Å; M543-L547 VanDerWaalsContact O-CG 3.22Å; M543-L547 WeakPolarHBondContact O-CG 3.42Å; M543-L547 PolarHBondContact O-N 3.01Å; I544-L547 PolarHBondContact O-N 2.99Å; L547-V550 PolarHBondContact O-N 2.98Å; L547-K551 VanDerWaalsContact O-CB 3.26Å; L547-K551 WeakPolarHBondContact O-CB 3.47Å; L547-K551 PolarHBondContact O-N 3.44Å; L547-M621 HydrophobicContact CD2-CE 3.79Å; L547-V624 HydrophobicContact CD2-CG1 4.03Å; L547-F703 HydrophobicContact CD1-CZ 4.11Å; L547-F703 HydrophobicContact CD2-CE1 3.87Å; L547-F703 HydrophobicContact CD2-CZ 3.81Å; L547-F703 HydrophobicContact CG-CZ 4.47Å; L547-L718 HydrophobicContact CB-CD1 4.42Å; L547-L718 HydrophobicContact CB-CD2 3.58Å; L547-L718 HydrophobicContact CB-CG 3.76Å; L547-L718 HydrophobicContact CD1-CD2 4.35Å; L547-F723 HydrophobicContact CD1-CE2 3.88Å; L547-F723 HydrophobicContact CD1-CZ 3.88Å
548	R	98.3	Very high	95.8	Very high	137 Å²	137	28.5 Å²	28.5	52%	0.517	13%	0.126	S	C	.	.	H	α-helix	trans	-60.8	-44.2	172.4	-73.4	173.4	-179.9	175.3	0.6	111.8	I544 Q545 L546 H552 L718	I544-R548 WeakPolarHBondContact O-CB 3.32Å; I544-R548 VanDerWaalsContact O-CG 3.3Å; I544-R548 WeakPolarHBondContact O-CG 3.32Å; I544-R548 PolarHBondContact O-N 2.84Å; Q545-R548 PolarHBondContact O-N 3.39Å; L546-R548 PolarHBondContact O-N 2.73Å; R548-H552 WeakPolarHBondContact O-CB 3.48Å; R548-H552 PolarHBondContact O-N 3.44Å; R548-L718 HydrophobicContact CG-CD1 4.04Å; R548-L718 HydrophobicContact CG-CD2 3.9Å
549	G	97.1	Very high	95.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-47	175.2	0	0	0	0	0	113	Q545 L546 H552 L553	Q545-G549 PolarHBondContact O-N 2.88Å; L546-G549 PolarHBondContact O-N 3.42Å; G549-H552 PolarHBondContact O-N 3.38Å; G549-L553 WeakPolarHBondContact O-CG 3.35Å; G549-L553 PolarHBondContact O-N 2.92Å; G549-L553 VanDerWaalsContact O-N 3.16Å
550	V	97.3	Very high	95.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-67.6	-41	179.2	175.4	0	0	0	0	111.6	L546 L547 H552 L553 H554 L563 D620 M621 V624 A714	L546-V550 HydrophobicContact CD1-CG2 4.03Å; L546-V550 HydrophobicContact CG-CG2 4.48Å; L546-V550 WeakPolarHBondContact O-CG2 3.47Å; L546-V550 PolarHBondContact O-N 3.17Å; L547-V550 PolarHBondContact O-N 2.98Å; V550-H552 PolarHBondContact O-N 3.49Å; V550-L553 WeakPolarHBondContact O-CB 3.47Å; V550-L553 PolarHBondContact O-N 3.1Å; V550-H554 WeakPolarHBondContact CG1-CE1 3.19Å; V550-H554 PolarHBondContact O-N 2.95Å; V550-L563 HydrophobicContact CG2-CD1 3.75Å; V550-L563 HydrophobicContact CG2-CD2 4.45Å; V550-D620 HydrophobicContact CG1-CB 4.38Å; V550-M621 HydrophobicContact CG1-SD 3.89Å; V550-V624 HydrophobicContact CG2-CG2 4.16Å; V550-A714 HydrophobicContact CB-CB 4.44Å; V550-A714 HydrophobicContact CG1-CB 4.09Å
551	K	97.4	Very high	94.8	Very high	42 Å²	42	28.7 Å²	28.7	18%	0.183	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-48	174.5	-164.8	-133.8	-170	-64.2	0	111.2	L547 L553 H554 D555 A714 E715 L718	L547-K551 VanDerWaalsContact O-CB 3.26Å; L547-K551 WeakPolarHBondContact O-CB 3.47Å; L547-K551 PolarHBondContact O-N 3.44Å; K551-L553 VanDerWaalsContact C-N 3.26Å; K551-L553 PolarHBondContact O-N 3.4Å; K551-H554 PolarHBondContact O-N 2.56Å; K551-H554 VanDerWaalsContact O-N 3.12Å; K551-D555 WeakPolarHBondContact CD-OD2 3.41Å; K551-D555 WeakPolarHBondContact CE-OD2 3.46Å; K551-D555 IonicContact NZ-OD1 2.94Å; K551-D555 PolarHBondContact NZ-OD1 3.15Å; K551-D555 IonicContact NZ-OD2 3.95Å; K551-D555 PolarHBondContact NZ-OD2 2.96Å; K551-D555 WeakPolarHBondContact O-CB 3.15Å; K551-D555 PolarHBondContact O-N 3.48Å; K551-A714 HydrophobicContact CB-CB 3.76Å; K551-A714 HydrophobicContact CG-CB 4.27Å; K551-E715 HydrophobicContact CD-CB 4.44Å; K551-E715 WeakPolarHBondContact CE-OE2 3.49Å; K551-E715 HydrophobicContact CG-CB 4.2Å; K551-E715 IonicContact NZ-OE2 2.67Å; K551-E715 PolarHBondContact NZ-OE2 2.86Å; K551-L718 HydrophobicContact CB-CD1 4.4Å
552	H	95.9	Very high	94.3	Very high	38 Å²	38	28.8 Å²	28.8	18%	0.176	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-36.2	176.9	177.3	93.2	0	0	0	112.8	H494 R548 G549 V550 N556	H494-H552 HydrophobicContact CB-CB 4.28Å; H494-H552 AromaticContact CD2-CG 3.86Å; H494-H552 AromaticContact CD2-ND1 3.8Å; H494-H552 AromaticContact CG-CG 3.81Å; R548-H552 WeakPolarHBondContact O-CB 3.48Å; R548-H552 PolarHBondContact O-N 3.44Å; G549-H552 PolarHBondContact O-N 3.38Å; V550-H552 PolarHBondContact O-N 3.49Å; H552-N556 PolarHBondContact CE1-ND2 2.82Å; H552-N556 WeakPolarHBondContact O-CB 3.25Å; H552-N556 PolarHBondContact O-N 2.81Å; H552-N556 PolarHBondContact O-ND2 3.22Å
553	L	93.7	Very high	94.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.1	-47.6	173.5	-69.3	173.1	0	0	0	111.8	A492 I497 G549 V550 K551 N556 W557 I558 H560 F581	A492-L553 HydrophobicContact CB-CD2 3.61Å; I497-L553 HydrophobicContact CD1-CD1 4.45Å; I497-L553 HydrophobicContact CD1-CD2 3.74Å; I497-L553 HydrophobicContact CD1-CG 3.81Å; G549-L553 WeakPolarHBondContact O-CG 3.35Å; G549-L553 PolarHBondContact O-N 2.92Å; G549-L553 VanDerWaalsContact O-N 3.16Å; V550-L553 WeakPolarHBondContact O-CB 3.47Å; V550-L553 PolarHBondContact O-N 3.1Å; K551-L553 VanDerWaalsContact C-N 3.26Å; K551-L553 PolarHBondContact O-N 3.4Å; L553-N556 CarbonylContact O-C 3.51Å; L553-N556 PolarHBondContact O-N 3.14Å; L553-N556 VanDerWaalsContact O-N 3.17Å; L553-W557 PolarHBondContact O-N 3.46Å; L553-I558 CarbonylContact C-O 3.52Å; L553-I558 HydrophobicContact CB-CB 4.3Å; L553-I558 HydrophobicContact CD2-CB 4.17Å; L553-I558 HydrophobicContact CD2-CD1 4.21Å; L553-I558 HydrophobicContact CD2-CG2 3.98Å; L553-I558 WeakPolarHBondContact O-CA 3.29Å; L553-I558 WeakPolarHBondContact O-CB 3.42Å; L553-I558 PolarHBondContact O-N 3.23Å; L553-H560 HydrophobicContact CD1-CB 4.34Å; L553-F581 HydrophobicContact CD1-CE1 3.7Å; L553-F581 HydrophobicContact CD1-CZ 4.1Å; L553-F581 HydrophobicContact CD2-CE1 3.54Å; L553-F581 HydrophobicContact CD2-CZ 4.09Å; L553-F581 HydrophobicContact CG-CE1 4.27Å
554	H	94.4	Very high	93.9	Very high	15 Å²	15	29.7 Å²	29.7	7%	0.069	13%	0.13	C	C	.	.	H	α-helix	trans	-64.1	-42.5	-179.9	-65.7	177.3	0	0	0	111.7	V550 K551 N556 W557 I558 Y587 T617 D620	V550-H554 WeakPolarHBondContact CG1-CE1 3.19Å; V550-H554 PolarHBondContact O-N 2.95Å; K551-H554 PolarHBondContact O-N 2.56Å; K551-H554 VanDerWaalsContact O-N 3.12Å; H554-N556 PolarHBondContact O-N 3.06Å; H554-W557 PolarHBondContact O-N 3.07Å; H554-I558 PolarHBondContact CD2-O 2.95Å; H554-Y587 PolarHBondContact O-OH 3.13Å; H554-Y587 VanDerWaalsContact O-OH 3.06Å; H554-T617 HydrophobicContact CB-CG2 3.79Å; H554-T617 PolarHBondContact CE1-O 3.13Å; H554-T617 VanDerWaalsContact CG-CG2 3.43Å; H554-T617 WeakPolarHBondContact ND1-CB 3.36Å; H554-D620 IonicContact CD2-OD2 2.64Å; H554-D620 IonicContact CE1-OD2 3.04Å; H554-D620 IonicContact NE2-OD2 3.33Å; H554-D620 PolarHBondContact NE2-OD2 3.33Å
555	D	93.6	Very high	93.6	Very high	84 Å²	84	28.5 Å²	28.5	45%	0.449	12%	0.124	S	C	.	.	H	α-helix	trans	-59.1	-34	173.4	-65.8	-8.1	0	0	0	112.4	K551 W557	K551-D555 WeakPolarHBondContact CD-OD2 3.41Å; K551-D555 WeakPolarHBondContact CE-OD2 3.46Å; K551-D555 IonicContact NZ-OD1 2.94Å; K551-D555 PolarHBondContact NZ-OD1 3.15Å; K551-D555 IonicContact NZ-OD2 3.95Å; K551-D555 PolarHBondContact NZ-OD2 2.96Å; K551-D555 WeakPolarHBondContact O-CB 3.15Å; K551-D555 PolarHBondContact O-N 3.48Å; D555-W557 VanDerWaalsContact C-N 3.28Å; D555-W557 PolarHBondContact O-N 3.5Å
556	N	90.2	Very high	93.3	Very high	66 Å²	66	29.5 Å²	29.5	35%	0.353	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	14.9	175.6	-77.3	-87.3	0	0	0	113.5	H552 L553 H554 I558	H552-N556 PolarHBondContact CE1-ND2 2.82Å; H552-N556 WeakPolarHBondContact O-CB 3.25Å; H552-N556 PolarHBondContact O-N 2.81Å; H552-N556 PolarHBondContact O-ND2 3.22Å; L553-N556 CarbonylContact O-C 3.51Å; L553-N556 PolarHBondContact O-N 3.14Å; L553-N556 VanDerWaalsContact O-N 3.17Å; H554-N556 PolarHBondContact O-N 3.06Å; N556-I558 VanDerWaalsContact C-N 3.3Å; N556-I558 HydrophobicContact CB-CD1 4.13Å; N556-I558 PolarHBondContact O-N 3.5Å
557	W	89.3	Confident	93	Very high	155 Å²	155	29.9 Å²	29.9	59%	0.587	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	27.8	179	-53.9	85.1	0	0	0	114.6	L553 H554 D555 E586 Y587	L553-W557 PolarHBondContact O-N 3.46Å; H554-W557 PolarHBondContact O-N 3.07Å; D555-W557 VanDerWaalsContact C-N 3.28Å; D555-W557 PolarHBondContact O-N 3.5Å; W557-E586 CarbonylContact O-C 3.59Å; W557-E586 VanDerWaalsContact O-CA 3.24Å; W557-E586 WeakPolarHBondContact O-CA 3.38Å; W557-Y587 VanDerWaalsContact C-CE1 3.4Å; W557-Y587 VanDerWaalsContact CA-CE1 3.49Å; W557-Y587 HydrophobicContact CB-CD1 4.49Å; W557-Y587 HydrophobicContact CB-CE1 4.4Å; W557-Y587 AromaticContact CE3-CD2 3.95Å; W557-Y587 HydrophobicContact CE3-CD2 3.95Å; W557-Y587 AromaticContact CE3-CE2 3.47Å; W557-Y587 HydrophobicContact CE3-CE2 3.47Å; W557-Y587 VanDerWaalsContact CE3-CE2 3.47Å; W557-Y587 AromaticContact CE3-CZ 3.85Å; W557-Y587 HydrophobicContact CZ3-CD2 4.43Å; W557-Y587 AromaticContact CZ3-CE2 3.79Å; W557-Y587 HydrophobicContact CZ3-CE2 3.79Å; W557-Y587 WeakPolarHBondContact O-CD1 3.49Å; W557-Y587 PolarHBondContact O-N 3.27Å
558	I	88.3	Confident	92.8	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.7	-178.5	-60.8	161.9	0	0	0	110.4	T488 A492 L553 H554 N556 A584	T488-I558 HydrophobicContact CG2-CB 4.44Å; T488-I558 HydrophobicContact CG2-CD1 3.78Å; T488-I558 HydrophobicContact CG2-CG1 3.99Å; T488-I558 HydrophobicContact CG2-CG2 3.56Å; A492-I558 HydrophobicContact CB-CD1 4.1Å; L553-I558 CarbonylContact C-O 3.52Å; L553-I558 HydrophobicContact CB-CB 4.3Å; L553-I558 HydrophobicContact CD2-CB 4.17Å; L553-I558 HydrophobicContact CD2-CD1 4.21Å; L553-I558 HydrophobicContact CD2-CG2 3.98Å; L553-I558 WeakPolarHBondContact O-CA 3.29Å; L553-I558 WeakPolarHBondContact O-CB 3.42Å; L553-I558 PolarHBondContact O-N 3.23Å; H554-I558 PolarHBondContact CD2-O 2.95Å; N556-I558 VanDerWaalsContact C-N 3.3Å; N556-I558 HydrophobicContact CB-CD1 4.13Å; N556-I558 PolarHBondContact O-N 3.5Å; I558-A584 HydrophobicContact CG2-CB 4.22Å
559	L	89.1	Confident	92.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	135.3	164.6	-54.7	-177	0	0	0	109.8	R561 A584 R585 Y587 Y594 Y615 T617	L559-R561 HydrophobicContact CB-CG 3.71Å; L559-A584 WeakPolarHBondContact O-CA 3.38Å; L559-A584 WeakPolarHBondContact O-CB 3.3Å; L559-R585 PolarHBondContact N-O 3.26Å; L559-R585 PolarHBondContact O-N 3.36Å; L559-Y587 HydrophobicContact CD1-CD1 4.45Å; L559-Y587 HydrophobicContact CD1-CG 4.5Å; L559-Y587 HydrophobicContact CD2-CD1 3.46Å; L559-Y587 VanDerWaalsContact CD2-CD1 3.46Å; L559-Y587 HydrophobicContact CD2-CE1 3.72Å; L559-Y587 HydrophobicContact CD2-CG 4.12Å; L559-Y587 HydrophobicContact CG-CD1 3.57Å; L559-Y587 HydrophobicContact CG-CE1 4.32Å; L559-Y587 HydrophobicContact CG-CG 4.07Å; L559-Y594 HydrophobicContact CD1-CE2 4.5Å; L559-Y615 HydrophobicContact CD1-CD2 4.47Å; L559-T617 HydrophobicContact CD2-CG2 3.85Å
560	H	90	Very high	92.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.			trans	-80.1	-44.9	178.8	-166.7	-87.2	0	0	0	112.1	L553 D562 L563 V578 G579 F581 D620	L553-H560 HydrophobicContact CD1-CB 4.34Å; H560-D562 PolarHBondContact CE1-O 2.78Å; H560-D562 VanDerWaalsContact ND1-C 3.28Å; H560-D562 PolarHBondContact ND1-O 3.05Å; H560-D562 PolarHBondContact O-N 3.25Å; H560-L563 HydrophobicContact CB-CD1 4.46Å; H560-L563 HydrophobicContact CB-CD2 4.15Å; H560-L563 HydrophobicContact CB-CG 3.92Å; H560-L563 WeakPolarHBondContact ND1-CD2 3.46Å; H560-L563 PolarHBondContact ND1-N 2.86Å; H560-V578 WeakPolarHBondContact NE2-CG1 3.24Å; H560-G579 PolarHBondContact NE2-O 2.83Å; H560-F581 AromaticContact CD2-CD1 3.85Å; H560-F581 AromaticContact CD2-CE1 3.55Å; H560-F581 AromaticContact CD2-CZ 4Å; H560-D620 PolarHBondContact N-OD2 3.11Å
561	R	88.1	Confident	92.3	Very high	18 Å²	18	26.6 Å²	26.6	7%	0.068	13%	0.129	C	C	.	.			trans	64.7	-3.7	173.6	-54.9	169.1	66.2	-110.3	-0.7	116.2	L559 L583 T595 V597 Y615 D620	L559-R561 HydrophobicContact CB-CG 3.71Å; R561-L583 PolarHBondContact NH1-O 2.7Å; R561-T595 PolarHBondContact NH2-O 3.25Å; R561-V597 VanDerWaalsContact NH2-CG2 3.31Å; R561-Y615 PolarHBondContact NE-OH 2.78Å; R561-Y615 PolarHBondContact NH2-OH 3.27Å; R561-D620 PolarHBondContact N-OD1 3.09Å
562	D	87.9	Confident	91.8	Very high	11 Å²	11	27.3 Å²	27.3	6%	0.059	13%	0.133	C	C	.	.			trans	-142.5	45.4	177	-165.5	15.5	0	0	0	112.2	H560 K564 N567 L583 V599	H560-D562 PolarHBondContact CE1-O 2.78Å; H560-D562 VanDerWaalsContact ND1-C 3.28Å; H560-D562 PolarHBondContact ND1-O 3.05Å; H560-D562 PolarHBondContact O-N 3.25Å; D562-K564 PolarHBondContact O-N 3.08Å; D562-K564 IonicContact OD1-NZ 3.35Å; D562-K564 PolarHBondContact OD1-NZ 3.24Å; D562-K564 IonicContact OD2-NZ 2.74Å; D562-K564 PolarHBondContact OD2-NZ 3.49Å; D562-N567 PolarHBondContact O-ND2 3.31Å; D562-N567 VanDerWaalsContact O-ND2 3.13Å; D562-N567 PolarHBondContact OD2-ND2 3.3Å; D562-L583 HydrophobicContact CB-CB 4.14Å; D562-L583 HydrophobicContact CB-CD1 3.76Å; D562-L583 HydrophobicContact CB-CG 4.46Å; D562-V599 WeakPolarHBondContact OD1-CG1 3.36Å
563	L	93.8	Very high	91.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.147	C	C	.	.			trans	-74	118.8	173.1	-73.6	176	0	0	0	109.9	V550 H560 V578 Y603 D620 V624 I627	V550-L563 HydrophobicContact CG2-CD1 3.75Å; V550-L563 HydrophobicContact CG2-CD2 4.45Å; H560-L563 HydrophobicContact CB-CD1 4.46Å; H560-L563 HydrophobicContact CB-CD2 4.15Å; H560-L563 HydrophobicContact CB-CG 3.92Å; H560-L563 WeakPolarHBondContact ND1-CD2 3.46Å; H560-L563 PolarHBondContact ND1-N 2.86Å; L563-V578 HydrophobicContact CD2-CG1 3.77Å; L563-Y603 WeakPolarHBondContact O-CB 3.27Å; L563-D620 HydrophobicContact CD1-CB 3.71Å; L563-V624 HydrophobicContact CD1-CG2 4.02Å; L563-I627 HydrophobicContact CB-CD1 4.15Å
564	K	93.3	Very high	91.3	Very high	19 Å²	19	28.2 Å²	28.2	8%	0.083	15%	0.147	C	C	.	.			trans	-155.7	160.3	178.5	56.7	179.9	-174.9	-67.4	0	110.4	D562 S566 N567 L568 T600 Y603	D562-K564 PolarHBondContact O-N 3.08Å; D562-K564 IonicContact OD1-NZ 3.35Å; D562-K564 PolarHBondContact OD1-NZ 3.24Å; D562-K564 IonicContact OD2-NZ 2.74Å; D562-K564 PolarHBondContact OD2-NZ 3.49Å; K564-S566 WeakPolarHBondContact CD-OG 3.16Å; K564-S566 WeakPolarHBondContact CE-OG 3.03Å; K564-S566 WeakPolarHBondContact CG-OG 3.43Å; K564-S566 PolarHBondContact O-N 2.99Å; K564-S566 VanDerWaalsContact O-N 3.14Å; K564-N567 WeakPolarHBondContact CE-OD1 3.49Å; K564-N567 HydrophobicContact CG-CB 3.97Å; K564-N567 VanDerWaalsContact NZ-CG 3.3Å; K564-N567 PolarHBondContact NZ-ND2 3.13Å; K564-N567 PolarHBondContact NZ-OD1 2.87Å; K564-N567 WeakPolarHBondContact O-CA 3.05Å; K564-N567 PolarHBondContact O-N 3.07Å; K564-L568 PolarHBondContact O-N 3.19Å; K564-T600 HydrophobicContact CD-CG2 4.21Å; K564-Y603 HydrophobicContact CB-CD1 4.46Å; K564-Y603 HydrophobicContact CB-CD2 3.48Å; K564-Y603 VanDerWaalsContact CB-CD2 3.48Å; K564-Y603 HydrophobicContact CB-CE1 4.37Å; K564-Y603 HydrophobicContact CB-CE2 3.36Å; K564-Y603 HydrophobicContact CB-CG 4.07Å
565	T	93.3	Very high	91.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.7	-175.6	46	0	0	0	0	114.9	L523 K524 M527 Y603 I627 E630	L523-T565 WeakPolarHBondContact CB-O 3.41Å; L523-T565 PolarHBondContact N-O 3.2Å; K524-T565 PolarHBondContact N-O 2.63Å; M527-T565 HydrophobicContact SD-CG2 4.43Å; T565-Y603 PolarHBondContact OG1-OH 3.35Å; T565-Y603 VanDerWaalsContact OG1-OH 3.05Å; T565-I627 HydrophobicContact CG2-CG1 4.32Å; T565-I627 HydrophobicContact CG2-CG2 4.22Å; T565-E630 HydrophobicContact CG2-CG 4.25Å; T565-E630 VanDerWaalsContact CG2-OE2 3.27Å; T565-E630 WeakPolarHBondContact CG2-OE2 3.41Å; T565-E630 PolarHBondContact OG1-OE2 2.8Å; T565-E630 VanDerWaalsContact OG1-OE2 3.07Å
566	S	90.4	Very high	91.5	Very high	31 Å²	31	26.3 Å²	26.3	22%	0.217	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-25	170.3	62.6	0	0	0	0	113.3	K564 L568	K564-S566 WeakPolarHBondContact CD-OG 3.16Å; K564-S566 WeakPolarHBondContact CE-OG 3.03Å; K564-S566 WeakPolarHBondContact CG-OG 3.43Å; K564-S566 PolarHBondContact O-N 2.99Å; K564-S566 VanDerWaalsContact O-N 3.14Å; S566-L568 VanDerWaalsContact C-N 3.31Å
567	N	92.6	Very high	91.8	Very high	9 Å²	9	24.6 Å²	24.6	5%	0.048	13%	0.126	C	C	.	.	S	Bend	trans	-92.4	3.7	-178.2	-69.7	30.2	0	0	0	111.7	D562 K564 G579	D562-N567 PolarHBondContact O-ND2 3.31Å; D562-N567 VanDerWaalsContact O-ND2 3.13Å; D562-N567 PolarHBondContact OD2-ND2 3.3Å; K564-N567 WeakPolarHBondContact CE-OD1 3.49Å; K564-N567 HydrophobicContact CG-CB 3.97Å; K564-N567 VanDerWaalsContact NZ-CG 3.3Å; K564-N567 PolarHBondContact NZ-ND2 3.13Å; K564-N567 PolarHBondContact NZ-OD1 2.87Å; K564-N567 WeakPolarHBondContact O-CA 3.05Å; K564-N567 PolarHBondContact O-N 3.07Å; N567-G579 PolarHBondContact O-N 3.36Å
568	L	95.2	Very high	92	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.7	170.2	-58.8	-174.8	0	0	0	108.5	L523 L546 K564 S566 L576 V578 I627	L523-L568 HydrophobicContact CB-CB 4.11Å; L523-L568 VanDerWaalsContact CB-O 3.29Å; L523-L568 WeakPolarHBondContact CB-O 3.46Å; L523-L568 HydrophobicContact CD2-CB 3.92Å; L523-L568 HydrophobicContact CD2-CD1 4.03Å; L523-L568 PolarHBondContact N-O 3.13Å; L546-L568 HydrophobicContact CD1-CD1 4Å; L546-L568 HydrophobicContact CD1-CD2 3.68Å; L546-L568 HydrophobicContact CD2-CD1 4.03Å; K564-L568 PolarHBondContact O-N 3.19Å; S566-L568 VanDerWaalsContact C-N 3.31Å; L568-L576 HydrophobicContact CD1-CD1 4.38Å; L568-V578 HydrophobicContact CD2-CB 4.34Å; L568-V578 HydrophobicContact CD2-CG1 4.42Å; L568-V578 HydrophobicContact CD2-CG2 3.88Å; L568-I627 HydrophobicContact CD1-CD1 4.12Å; L568-I627 HydrophobicContact CD1-CG2 3.93Å
569	L	94.6	Very high	92	Very high	42 Å²	42	17.4 Å²	17.4	22%	0.22	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	147.4	177.4	-49.9	-177.5	0	0	0	109.7	V498 V519 H521 D522 L576 K577	V498-L569 HydrophobicContact CG2-CD1 3.8Å; V498-L569 HydrophobicContact CG2-CG 4.49Å; V519-L569 HydrophobicContact CB-CB 3.76Å; V519-L569 HydrophobicContact CB-CD1 3.92Å; V519-L569 HydrophobicContact CB-CG 4.49Å; V519-L569 HydrophobicContact CG1-CB 3.58Å; V519-L569 HydrophobicContact CG2-CB 4.3Å; V519-L569 HydrophobicContact CG2-CD1 4.17Å; H521-L569 CarbonylContact O-C 3.31Å; H521-L569 VanDerWaalsContact O-CA 3.23Å; H521-L569 WeakPolarHBondContact O-CA 3.31Å; D522-L569 HydrophobicContact CB-CD2 3.86Å; L569-L576 CarbonylContact O-C 3.55Å; L569-L576 WeakPolarHBondContact O-CA 3.35Å; L569-K577 PolarHBondContact N-O 2.79Å; L569-K577 PolarHBondContact O-N 3.33Å
570	L	94.4	Very high	91.6	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.1	178.8	-175.6	62.6	0	0	0	109.8	V519 H521 L523 L526 F534 L542 L576 F735 W738	V519-L570 VanDerWaalsContact CG1-C 3.47Å; H521-L570 WeakPolarHBondContact CB-O 3.43Å; H521-L570 PolarHBondContact CD2-O 2.94Å; H521-L570 PolarHBondContact N-O 3.03Å; H521-L570 PolarHBondContact O-N 3.35Å; L523-L570 HydrophobicContact CD1-CB 4.45Å; L523-L570 HydrophobicContact CD1-CD2 4.17Å; L526-L570 HydrophobicContact CD2-CD2 3.81Å; F534-L570 HydrophobicContact CZ-CD2 4.42Å; L542-L570 HydrophobicContact CD2-CD1 3.77Å; L542-L570 HydrophobicContact CD2-CD2 4.27Å; L570-L576 HydrophobicContact CD1-CB 4.3Å; L570-F735 HydrophobicContact CD2-CD1 4.47Å; L570-W738 HydrophobicContact CD2-CZ3 4.15Å
571	S	92.4	Very high	90.7	Very high	24 Å²	24	19.9 Å²	19.9	17%	0.168	11%	0.113	C	C	.	.			trans	-86.1	164.9	175.6	74.4	0	0	0	0	112.7	E520 A573 G574 I575	E520-S571 VanDerWaalsContact OE2-CA 3.23Å; E520-S571 WeakPolarHBondContact OE2-CA 3.42Å; E520-S571 VanDerWaalsContact OE2-CB 3.3Å; E520-S571 WeakPolarHBondContact OE2-CB 3.49Å; S571-A573 PolarHBondContact O-N 3.34Å; S571-A573 VanDerWaalsContact O-N 3.08Å; S571-A573 PolarHBondContact OG-N 2.88Å; S571-G574 PolarHBondContact O-N 3.18Å; S571-G574 VanDerWaalsContact O-N 3.11Å; S571-I575 PolarHBondContact N-O 2.9Å; S571-I575 PolarHBondContact OG-N 3.39Å
572	H	87.3	Confident	89.6	Confident	58 Å²	58	20 Å²	20	27%	0.269	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.3	172.7	-67.3	111.8	0	0	0	114.1	E520 H521 T737 W738 E743	E520-H572 VanDerWaalsContact CB-CE1 3.47Å; E520-H572 WeakPolarHBondContact CB-CE1 3.47Å; E520-H572 WeakPolarHBondContact CG-ND1 3.4Å; E520-H572 IonicContact OE1-CE1 2.69Å; E520-H572 IonicContact OE1-CG 2.7Å; E520-H572 PolarHBondContact OE1-N 3.16Å; E520-H572 IonicContact OE1-ND1 2.7Å; E520-H572 PolarHBondContact OE1-ND1 3.24Å; H521-H572 AromaticContact CE1-NE2 4Å; H521-H572 AromaticContact NE2-CD2 3.54Å; H521-H572 AromaticContact NE2-CE1 3.81Å; H521-H572 AromaticContact NE2-NE2 3.1Å; H521-H572 PolarHBondContact NE2-NE2 3.37Å; H521-H572 VanDerWaalsContact NE2-NE2 3.1Å; H572-T737 HydrophobicContact CB-CG2 4Å; H572-T737 WeakPolarHBondContact O-CG2 3.3Å; H572-W738 PolarHBondContact CD2-O 2.67Å; H572-W738 PolarHBondContact NE2-O 3.06Å; H572-E743 IonicContact CE1-OE2 2.67Å
573	A	88.3	Confident	88.4	Confident	57 Å²	57	21 Å²	21	47%	0.471	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	20.2	175.9	0	0	0	0	0	113.1	S571 I575 P732	S571-A573 PolarHBondContact O-N 3.34Å; S571-A573 VanDerWaalsContact O-N 3.08Å; S571-A573 PolarHBondContact OG-N 2.88Å; A573-I575 HydrophobicContact CB-CG1 4.4Å; A573-I575 PolarHBondContact O-N 2.91Å; A573-I575 VanDerWaalsContact O-N 3.14Å; A573-P732 CarbonylContact C-O 3.58Å; A573-P732 CarbonylContact O-C 3.14Å; A573-P732 VanDerWaalsContact O-CB 3.32Å; A573-P732 WeakPolarHBondContact O-CB 3.47Å
574	G	91.1	Very high	87	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	68.2	9.8	179.6	0	0	0	0	0	115	Q545 S571 L576 P732	Q545-G574 PolarHBondContact NE2-O 2.72Å; S571-G574 PolarHBondContact O-N 3.18Å; S571-G574 VanDerWaalsContact O-N 3.11Å; G574-L576 PolarHBondContact O-N 3.2Å; G574-P732 WeakPolarHBondContact CA-O 3.46Å
575	I	95.6	Very high	85.8	Confident	57 Å²	57	24.1 Å²	24.1	29%	0.292	14%	0.139	S	C	.	.			trans	-86	115.4	-178.1	-52.4	-58.7	0	0	0	109.9	S571 A573 P732	S571-I575 PolarHBondContact N-O 2.9Å; S571-I575 PolarHBondContact OG-N 3.39Å; A573-I575 HydrophobicContact CB-CG1 4.4Å; A573-I575 PolarHBondContact O-N 2.91Å; A573-I575 VanDerWaalsContact O-N 3.14Å; I575-P732 HydrophobicContact CD1-CB 3.82Å; I575-P732 HydrophobicContact CD1-CG 4.16Å
576	L	96.7	Very high	84	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	136.5	175.1	177.4	151.4	0	0	0	110.3	N496 L523 L542 Q545 L546 L568 L569 L570 G574	N496-L576 VanDerWaalsContact CA-O 3.3Å; N496-L576 WeakPolarHBondContact CA-O 3.02Å; N496-L576 WeakPolarHBondContact CB-O 3.49Å; N496-L576 PolarHBondContact ND2-O 3.37Å; L523-L576 HydrophobicContact CD2-CD1 4.14Å; L542-L576 HydrophobicContact CB-CD1 4.16Å; L542-L576 HydrophobicContact CD2-CB 4.21Å; L542-L576 HydrophobicContact CD2-CD1 3.93Å; Q545-L576 HydrophobicContact CB-CB 4Å; Q545-L576 HydrophobicContact CB-CD2 4.38Å; L546-L576 HydrophobicContact CB-CD2 4.13Å; L568-L576 HydrophobicContact CD1-CD1 4.38Å; L569-L576 CarbonylContact O-C 3.55Å; L569-L576 WeakPolarHBondContact O-CA 3.35Å; L570-L576 HydrophobicContact CD1-CB 4.3Å; G574-L576 PolarHBondContact O-N 3.2Å
577	K	95.7	Very high	82.5	Confident	31 Å²	31	29 Å²	29	14%	0.135	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.4	177.1	-74.8	179.5	169	-62.5	0	111.9	P495 N496 I497 V498 V519 L569	P495-K577 PolarHBondContact O-NZ 3.24Å; N496-K577 WeakPolarHBondContact O-CA 3.36Å; I497-K577 PolarHBondContact O-NZ 3.49Å; V498-K577 HydrophobicContact CG2-CB 3.96Å; V519-K577 HydrophobicContact CG2-CD 3.82Å; L569-K577 PolarHBondContact N-O 2.79Å; L569-K577 PolarHBondContact O-N 3.33Å
578	V	94.7	Very high	80.2	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	133.6	170.8	-176.1	0	0	0	0	110	N496 V498 L546 H560 L563 L568 F581	N496-V578 PolarHBondContact O-N 3.09Å; V498-V578 WeakPolarHBondContact CG2-O 3.38Å; V498-V578 PolarHBondContact N-O 2.98Å; L546-V578 HydrophobicContact CD1-CG2 3.93Å; H560-V578 WeakPolarHBondContact NE2-CG1 3.24Å; L563-V578 HydrophobicContact CD2-CG1 3.77Å; L568-V578 HydrophobicContact CD2-CB 4.34Å; L568-V578 HydrophobicContact CD2-CG1 4.42Å; L568-V578 HydrophobicContact CD2-CG2 3.88Å; V578-F581 HydrophobicContact CG1-CZ 4.26Å
579	G	88	Confident	77.2	Confident	4 Å²	4	36.1 Å²	36.1	4%	0.041	21%	0.212	C	C	.	.			trans	-142.8	179.1	-178.6	0	0	0	0	0	114.7	H560 N567	H560-G579 PolarHBondContact NE2-O 2.83Å; N567-G579 PolarHBondContact O-N 3.36Å
580	D	79.4	Confident	74.9	Confident	48 Å²	48	38.6 Å²	38.6	26%	0.257	23%	0.231	S	C	.	.			trans	55.2	73.5	-172.6	-166.1	31.3	0	0	0	115.5	K467 G582	K467-D580 IonicContact NZ-OD1 2.66Å; K467-D580 PolarHBondContact NZ-OD1 3.07Å; D580-G582 PolarHBondContact O-N 3.18Å; D580-G582 VanDerWaalsContact O-N 3.11Å
581	F	72.8	Confident	72.9	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.018	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-77.4	18.3	176.6	-67.7	-95	0	0	0	114	E485 T488 I489 I497 L553 H560 V578 L583 A584	E485-F581 HydrophobicContact CG-CB 4.4Å; T488-F581 HydrophobicContact CG2-CD1 4.39Å; I489-F581 HydrophobicContact CD1-CB 4.03Å; I489-F581 HydrophobicContact CD1-CD2 4.05Å; I489-F581 HydrophobicContact CD1-CG 4.34Å; I489-F581 HydrophobicContact CG1-CB 3.71Å; I489-F581 HydrophobicContact CG1-CD2 3.62Å; I489-F581 HydrophobicContact CG1-CE2 4.44Å; I489-F581 HydrophobicContact CG1-CG 3.71Å; I497-F581 HydrophobicContact CG2-CE2 3.8Å; I497-F581 HydrophobicContact CG2-CZ 3.67Å; L553-F581 HydrophobicContact CD1-CE1 3.7Å; L553-F581 HydrophobicContact CD1-CZ 4.1Å; L553-F581 HydrophobicContact CD2-CE1 3.54Å; L553-F581 HydrophobicContact CD2-CZ 4.09Å; L553-F581 HydrophobicContact CG-CE1 4.27Å; H560-F581 AromaticContact CD2-CD1 3.85Å; H560-F581 AromaticContact CD2-CE1 3.55Å; H560-F581 AromaticContact CD2-CZ 4Å; V578-F581 HydrophobicContact CG1-CZ 4.26Å; F581-L583 PolarHBondContact O-N 2.97Å; F581-A584 HydrophobicContact CB-CB 3.9Å; F581-A584 HydrophobicContact CD1-CB 3.78Å; F581-A584 HydrophobicContact CG-CB 4.36Å; F581-A584 WeakPolarHBondContact O-CB 3.38Å; F581-A584 PolarHBondContact O-N 2.69Å
582	G	63.5	Low	70.8	Confident	21 Å²	21	47.5 Å²	47.5	22%	0.216	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-61.3	-15.4	-177.2	0	0	0	0	0	115.3	D580	D580-G582 PolarHBondContact O-N 3.18Å; D580-G582 VanDerWaalsContact O-N 3.11Å
583	L	63.6	Low	68.8	Low	31 Å²	31	48.4 Å²	48.4	16%	0.162	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-113.5	-0.9	172.5	-77.1	179.9	0	0	0	114.8	Y449 R561 D562 F581 V597 V599	Y449-L583 WeakPolarHBondContact OH-CD2 3.45Å; Y449-L583 VanDerWaalsContact OH-CG 3.3Å; Y449-L583 WeakPolarHBondContact OH-CG 3.44Å; R561-L583 PolarHBondContact NH1-O 2.7Å; D562-L583 HydrophobicContact CB-CB 4.14Å; D562-L583 HydrophobicContact CB-CD1 3.76Å; D562-L583 HydrophobicContact CB-CG 4.46Å; F581-L583 PolarHBondContact O-N 2.97Å; L583-V597 HydrophobicContact CD1-CG1 3.72Å; L583-V599 HydrophobicContact CD1-CB 3.8Å; L583-V599 HydrophobicContact CD1-CG1 4.33Å; L583-V599 HydrophobicContact CD1-CG2 3.48Å; L583-V599 VanDerWaalsContact CD1-CG2 3.48Å; L583-V599 HydrophobicContact CG-CG2 4.46Å
584	A	64.6	Low	67.2	Low	13 Å²	13	47.5 Å²	47.5	11%	0.107	27%	0.272	C	S	.	.			trans	-64.6	148.6	-174.5	0	0	0	0	0	111.5	T488 I558 L559 F581	T488-A584 HydrophobicContact CG2-CB 4Å; I558-A584 HydrophobicContact CG2-CB 4.22Å; L559-A584 WeakPolarHBondContact O-CA 3.38Å; L559-A584 WeakPolarHBondContact O-CB 3.3Å; F581-A584 HydrophobicContact CB-CB 3.9Å; F581-A584 HydrophobicContact CD1-CB 3.78Å; F581-A584 HydrophobicContact CG-CB 4.36Å; F581-A584 WeakPolarHBondContact O-CB 3.38Å; F581-A584 PolarHBondContact O-N 2.69Å
585	R	66.8	Low	65.4	Low	72 Å²	72	51.5 Å²	51.5	27%	0.272	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135.7	178.7	-75	-172.3	168.1	150.5	-0.2	110.9	L559 Y587 T595	L559-R585 PolarHBondContact N-O 3.26Å; L559-R585 PolarHBondContact O-N 3.36Å; R585-Y587 PolarHBondContact O-N 3.37Å; R585-T595 PolarHBondContact NH1-OG1 3.02Å; R585-T595 PolarHBondContact NH2-OG1 3.01Å
586	E	57.4	Low	63.3	Low	92 Å²	92	53.9 Å²	53.9	43%	0.43	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	127	159.5	-65.9	174.9	-160.2	0	0	108.6	K491 W557 Y594	K491-E586 VanDerWaalsContact NZ-CD 3.29Å; K491-E586 IonicContact NZ-OE1 3.4Å; K491-E586 PolarHBondContact NZ-OE1 3.28Å; K491-E586 IonicContact NZ-OE2 3.8Å; K491-E586 PolarHBondContact NZ-OE2 3.29Å; W557-E586 CarbonylContact O-C 3.59Å; W557-E586 VanDerWaalsContact O-CA 3.24Å; W557-E586 WeakPolarHBondContact O-CA 3.38Å; E586-Y594 PolarHBondContact O-OH 2.84Å
587	Y	58.7	Low	61.2	Low	44 Å²	44	54.4 Å²	54.4	17%	0.173	32%	0.319	C	S	.	.			trans	-103.6	160.6	168.4	76	-86.3	0	0	0	110.1	H554 W557 L559 R585 Y594 T617	H554-Y587 PolarHBondContact O-OH 3.13Å; H554-Y587 VanDerWaalsContact O-OH 3.06Å; W557-Y587 VanDerWaalsContact C-CE1 3.4Å; W557-Y587 VanDerWaalsContact CA-CE1 3.49Å; W557-Y587 HydrophobicContact CB-CD1 4.49Å; W557-Y587 HydrophobicContact CB-CE1 4.4Å; W557-Y587 AromaticContact CE3-CD2 3.95Å; W557-Y587 HydrophobicContact CE3-CD2 3.95Å; W557-Y587 AromaticContact CE3-CE2 3.47Å; W557-Y587 HydrophobicContact CE3-CE2 3.47Å; W557-Y587 VanDerWaalsContact CE3-CE2 3.47Å; W557-Y587 AromaticContact CE3-CZ 3.85Å; W557-Y587 HydrophobicContact CZ3-CD2 4.43Å; W557-Y587 AromaticContact CZ3-CE2 3.79Å; W557-Y587 HydrophobicContact CZ3-CE2 3.79Å; W557-Y587 WeakPolarHBondContact O-CD1 3.49Å; W557-Y587 PolarHBondContact O-N 3.27Å; L559-Y587 HydrophobicContact CD1-CD1 4.45Å; L559-Y587 HydrophobicContact CD1-CG 4.5Å; L559-Y587 HydrophobicContact CD2-CD1 3.46Å; L559-Y587 VanDerWaalsContact CD2-CD1 3.46Å; L559-Y587 HydrophobicContact CD2-CE1 3.72Å; L559-Y587 HydrophobicContact CD2-CG 4.12Å; L559-Y587 HydrophobicContact CG-CD1 3.57Å; L559-Y587 HydrophobicContact CG-CE1 4.32Å; L559-Y587 HydrophobicContact CG-CG 4.07Å; R585-Y587 PolarHBondContact O-N 3.37Å; Y587-Y594 WeakPolarHBondContact CA-OH 3.5Å; Y587-T617 HydrophobicContact CE1-CG2 3.83Å; Y587-T617 HydrophobicContact CE2-CG2 4.47Å; Y587-T617 WeakPolarHBondContact OH-CG2 3.44Å
588	G	43.6	Very low	59.2	Low	32 Å²	32	59.5 Å²	59.5	33%	0.33	35%	0.352	S	S	.	.			trans	-175.2	175.3	-178.6	0	0	0	0	0	110.8	P590 L591	G588-P590 CarbonylContact O-C 3.54Å; G588-P590 VanDerWaalsContact O-O 3.1Å; G588-L591 PolarHBondContact O-N 3.36Å
589	S	31.8	Very low	57.5	Low	127 Å²	127	60.9 Å²	60.9	89%	0.888	36%	0.36	S	S	*	.	S	Bend	trans	-87.9	135.2	175.5	-169	0	0	0	0	111
590	P	45.6	Very low	56.8	Low	93 Å²	93	63.3 Å²	63.3	60%	0.604	38%	0.375	S	S	*	.	S	Bend	cis	-74.5	152.5	-10.5	32.3	-35.5	0	0	0	111.9	G588 K592	G588-P590 CarbonylContact O-C 3.54Å; G588-P590 VanDerWaalsContact O-O 3.1Å; P590-K592 PolarHBondContact O-N 3.19Å
591	L	52.9	Low	57.1	Low	70 Å²	70	62.6 Å²	62.6	37%	0.366	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-58	127.5	170.9	-69.9	171.9	0	0	0	109.4	G588 E614	G588-L591 PolarHBondContact O-N 3.36Å; L591-E614 HydrophobicContact CB-CG 4.48Å
592	K	49.6	Very low	58.2	Low	142 Å²	142	66.7 Å²	66.7	62%	0.617	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-103.3	137.8	-178.6	-69.6	175.1	-175.6	171.7	0	109.9	P590 Y594	P590-K592 PolarHBondContact O-N 3.19Å; K592-Y594 VanDerWaalsContact O-CD2 3.3Å; K592-Y594 WeakPolarHBondContact O-CD2 3.36Å; K592-Y594 PolarHBondContact O-N 2.76Å
593	A	44.7	Very low	59.6	Low	78 Å²	78	66.2 Å²	66.2	65%	0.645	38%	0.378	S	S	*	.			trans	-54.5	110	174.3	0	0	0	0	0	110.6	K613	A593-K613 WeakPolarHBondContact CA-O 3.45Å; A593-K613 HydrophobicContact CB-CB 4.44Å
594	Y	55.3	Low	61.1	Low	38 Å²	38	66.3 Å²	66.3	15%	0.149	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-93.4	139.2	-173.6	-71.1	-59.4	0	0	0	111.3	L559 E586 Y587 K592 K613 Y615	L559-Y594 HydrophobicContact CD1-CE2 4.5Å; E586-Y594 PolarHBondContact O-OH 2.84Å; Y587-Y594 WeakPolarHBondContact CA-OH 3.5Å; K592-Y594 VanDerWaalsContact O-CD2 3.3Å; K592-Y594 WeakPolarHBondContact O-CD2 3.36Å; K592-Y594 PolarHBondContact O-N 2.76Å; Y594-K613 PolarHBondContact N-O 3.23Å; Y594-Y615 WeakPolarHBondContact CB-OH 3.49Å; Y594-Y615 HydrophobicContact CD2-CD2 4.28Å; Y594-Y615 HydrophobicContact CD2-CE1 4.12Å; Y594-Y615 AromaticContact CD2-CE2 3.88Å; Y594-Y615 HydrophobicContact CD2-CE2 3.88Å; Y594-Y615 AromaticContact CD2-CZ 3.81Å; Y594-Y615 HydrophobicContact CG-CE1 4.45Å; Y594-Y615 HydrophobicContact CG-CE2 4.47Å
595	T	52.9	Low	62.5	Low	83 Å²	83	65.7 Å²	65.7	51%	0.509	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-51.2	134.9	170.8	58.2	0	0	0	0	111.6	R561 R585	R561-T595 PolarHBondContact NH2-O 3.25Å; R585-T595 PolarHBondContact NH1-OG1 3.02Å; R585-T595 PolarHBondContact NH2-OG1 3.01Å
596	P	50.4	Low	63.9	Low	107 Å²	107	62.3 Å²	62.3	70%	0.695	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-59.2	149.2	179.6	24.2	-33.8	0	0	0	111.7	V598	P596-V598 PolarHBondContact O-N 3.46Å
597	V	53.9	Low	65.6	Low	13 Å²	13	58.1 Å²	58.1	8%	0.079	34%	0.339	C	S	.	.			trans	-84.8	105	-175.1	177.6	0	0	0	0	110	R561 L583 V599 R604	R561-V597 VanDerWaalsContact NH2-CG2 3.31Å; L583-V597 HydrophobicContact CD1-CG1 3.72Å; V597-V599 HydrophobicContact CG1-CB 4.04Å; V597-V599 PolarHBondContact O-N 2.81Å; V597-R604 VanDerWaalsContact O-CZ 3.3Å; V597-R604 PolarHBondContact O-NH2 3.45Å
598	V	52.8	Low	67.1	Low	137 Å²	137	57.7 Å²	57.7	83%	0.83	34%	0.339	S	S	*	.			trans	-86.2	49.9	179.5	-163	0	0	0	0	111.2	P596	P596-V598 PolarHBondContact O-N 3.46Å
599	V	60.1	Low	69.4	Low	29 Å²	29	57 Å²	57	18%	0.176	33%	0.328	C	S	.	.	S	Bend	trans	-137.9	170.1	-179.6	-179.3	0	0	0	0	110.2	D562 L583 V597 L601 R604	D562-V599 WeakPolarHBondContact OD1-CG1 3.36Å; L583-V599 HydrophobicContact CD1-CB 3.8Å; L583-V599 HydrophobicContact CD1-CG1 4.33Å; L583-V599 HydrophobicContact CD1-CG2 3.48Å; L583-V599 VanDerWaalsContact CD1-CG2 3.48Å; L583-V599 HydrophobicContact CG-CG2 4.46Å; V597-V599 HydrophobicContact CG1-CB 4.04Å; V597-V599 PolarHBondContact O-N 2.81Å; V599-L601 PolarHBondContact O-N 3.11Å; V599-R604 PolarHBondContact O-NH2 2.89Å
600	T	71.6	Confident	72.3	Confident	56 Å²	56	51 Å²	51	34%	0.344	29%	0.286	S	S	.	.			trans	-21.3	111.3	-172.9	-52.2	0	0	0	0	115.8	K564 W602 Y603	K564-T600 HydrophobicContact CD-CG2 4.21Å; T600-W602 VanDerWaalsContact C-N 3.32Å; T600-W602 HydrophobicContact CG2-CB 4.47Å; T600-W602 PolarHBondContact O-N 3.04Å; T600-Y603 HydrophobicContact CG2-CD2 3.9Å; T600-Y603 HydrophobicContact CG2-CE2 3.86Å
601	L	86.9	Confident	74.3	Confident	33 Å²	33	48.2 Å²	48.2	17%	0.173	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-60.7	-34.9	-176.2	-68.2	165.8	0	0	0	114.2	V599 Y603 R604 K641 D643 Q646	V599-L601 PolarHBondContact O-N 3.11Å; L601-Y603 PolarHBondContact O-N 3.48Å; L601-Y603 VanDerWaalsContact O-N 3.07Å; L601-R604 WeakPolarHBondContact O-CB 3.27Å; L601-R604 PolarHBondContact O-N 2.7Å; L601-K641 VanDerWaalsContact CD1-C 3.5Å; L601-D643 WeakPolarHBondContact CD2-OD1 3.32Å; L601-Q646 HydrophobicContact CB-CG 4.3Å; L601-Q646 WeakPolarHBondContact O-CG 3.35Å; L601-Q646 PolarHBondContact O-NE2 3.08Å; L601-Q646 PolarHBondContact O-OE1 2.97Å
602	W	94.6	Very high	75.9	Confident	89 Å²	89	46.1 Å²	46.1	34%	0.337	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-65.7	-20.1	-159.8	-57.7	-13.3	0	0	0	115.8	T600 P636 F638 P639 G640 Q646	T600-W602 VanDerWaalsContact C-N 3.32Å; T600-W602 HydrophobicContact CG2-CB 4.47Å; T600-W602 PolarHBondContact O-N 3.04Å; W602-P636 HydrophobicContact CD2-CB 4.23Å; W602-P636 HydrophobicContact CD2-CG 4.46Å; W602-P636 HydrophobicContact CE3-CB 3.67Å; W602-P636 HydrophobicContact CE3-CG 3.53Å; W602-P636 HydrophobicContact CH2-CG 4.45Å; W602-P636 HydrophobicContact CZ3-CB 4.18Å; W602-P636 HydrophobicContact CZ3-CG 3.53Å; W602-F638 WeakPolarHBondContact CA-O 3.2Å; W602-P639 HydrophobicContact CD2-CB 4.48Å; W602-G640 VanDerWaalsContact CD1-N 3.31Å; W602-G640 PolarHBondContact NE1-O 3.45Å; W602-Q646 PolarHBondContact O-NE2 2.98Å
603	Y	94.9	Very high	77.2	Confident	12 Å²	12	46.3 Å²	46.3	5%	0.047	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-111.3	2.7	-179.9	-47.5	-91.7	0	0	0	111.9	L563 K564 T565 T600 L601 A605 S623 C626 I627 E630	L563-Y603 WeakPolarHBondContact O-CB 3.27Å; K564-Y603 HydrophobicContact CB-CD1 4.46Å; K564-Y603 HydrophobicContact CB-CD2 3.48Å; K564-Y603 VanDerWaalsContact CB-CD2 3.48Å; K564-Y603 HydrophobicContact CB-CE1 4.37Å; K564-Y603 HydrophobicContact CB-CE2 3.36Å; K564-Y603 HydrophobicContact CB-CG 4.07Å; T565-Y603 PolarHBondContact OG1-OH 3.35Å; T565-Y603 VanDerWaalsContact OG1-OH 3.05Å; T600-Y603 HydrophobicContact CG2-CD2 3.9Å; T600-Y603 HydrophobicContact CG2-CE2 3.86Å; L601-Y603 PolarHBondContact O-N 3.48Å; L601-Y603 VanDerWaalsContact O-N 3.07Å; Y603-A605 PolarHBondContact O-N 3.09Å; Y603-S623 PolarHBondContact O-OG 3.07Å; Y603-S623 VanDerWaalsContact O-OG 3.13Å; Y603-C626 HydrophobicContact CD1-CB 3.7Å; Y603-C626 HydrophobicContact CE1-CB 4.49Å; Y603-C626 HydrophobicContact CG-CB 4.46Å; Y603-I627 HydrophobicContact CD1-CG1 3.92Å; Y603-I627 HydrophobicContact CE1-CG1 3.92Å; Y603-E630 WeakPolarHBondContact CE1-OE2 3.46Å; Y603-E630 PolarHBondContact OH-OE2 3.39Å
604	R	93.4	Very high	79	Confident	32 Å²	32	48.6 Å²	48.6	12%	0.121	27%	0.265	C	S	.	.			trans	-74.2	130.5	-173.8	-162.9	-175.5	-60.5	159.8	10	111	V597 V599 L601 L608 L609 W622 D643	V597-R604 VanDerWaalsContact O-CZ 3.3Å; V597-R604 PolarHBondContact O-NH2 3.45Å; V599-R604 PolarHBondContact O-NH2 2.89Å; L601-R604 WeakPolarHBondContact O-CB 3.27Å; L601-R604 PolarHBondContact O-N 2.7Å; R604-L608 HydrophobicContact CG-CB 3.76Å; R604-L608 HydrophobicContact CG-CD1 3.92Å; R604-L608 HydrophobicContact CG-CG 4.5Å; R604-L609 HydrophobicContact CB-CD2 4.42Å; R604-L609 HydrophobicContact CB-CG 4.39Å; R604-L609 HydrophobicContact CG-CD2 4.46Å; R604-L609 HydrophobicContact CG-CG 4.3Å; R604-W622 PolarHBondContact O-NE1 3.33Å; R604-D643 IonicContact CZ-OD1 3.87Å; R604-D643 IonicContact NH1-OD1 2.63Å; R604-D643 PolarHBondContact NH1-OD1 2.83Å; R604-D643 IonicContact NH1-OD2 3.99Å; R604-D643 IonicContact NH2-OD1 3.66Å
605	A	94.9	Very high	80.4	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.008	26%	0.26	C	S	.	.			trans	-65.6	148.8	179.3	0	0	0	0	0	113	Y603 E607 L608 L609 V619 W622	Y603-A605 PolarHBondContact O-N 3.09Å; A605-E607 VanDerWaalsContact C-N 3.3Å; A605-E607 VanDerWaalsContact CB-CD 3.48Å; A605-E607 HydrophobicContact CB-CG 4.48Å; A605-E607 WeakPolarHBondContact CB-OE1 3.48Å; A605-E607 WeakPolarHBondContact CB-OE2 3.46Å; A605-E607 PolarHBondContact O-N 3.04Å; A605-L608 HydrophobicContact CB-CD1 4.5Å; A605-L608 WeakPolarHBondContact O-CB 3.36Å; A605-L608 PolarHBondContact O-N 3.04Å; A605-L608 VanDerWaalsContact O-N 3.08Å; A605-L609 PolarHBondContact O-N 2.95Å; A605-V619 HydrophobicContact CB-CB 4.27Å; A605-V619 HydrophobicContact CB-CG1 4.39Å; A605-W622 VanDerWaalsContact CA-CD1 3.42Å; A605-W622 HydrophobicContact CB-CB 3.77Å; A605-W622 HydrophobicContact CB-CD2 4.4Å; A605-W622 HydrophobicContact CB-CG 3.75Å
606	P	94.9	Very high	82.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-33.9	-173.3	26.1	-35.4	0	0	0	112.6	L608 L609 L610 W622 I647 W662 Y706	P606-L608 VanDerWaalsContact C-N 3.28Å; P606-L608 PolarHBondContact O-N 3.11Å; P606-L609 PolarHBondContact O-N 3.42Å; P606-L609 VanDerWaalsContact O-N 3.13Å; P606-L610 WeakPolarHBondContact O-CB 3.34Å; P606-L610 VanDerWaalsContact O-CG 3.32Å; P606-L610 WeakPolarHBondContact O-CG 3.41Å; P606-L610 PolarHBondContact O-N 2.74Å; P606-W622 VanDerWaalsContact CD-CD2 3.49Å; P606-W622 HydrophobicContact CG-CE3 4.11Å; P606-W622 HydrophobicContact CG-CH2 3.94Å; P606-W622 HydrophobicContact CG-CZ2 4.4Å; P606-W622 HydrophobicContact CG-CZ3 3.78Å; P606-I647 HydrophobicContact CB-CD1 3.73Å; P606-W662 HydrophobicContact CB-CH2 4.34Å; P606-W662 HydrophobicContact CB-CZ3 4.06Å; P606-W662 HydrophobicContact CG-CH2 4.46Å; P606-W662 HydrophobicContact CG-CZ3 4.22Å; P606-Y706 HydrophobicContact CB-CD1 4.08Å; P606-Y706 HydrophobicContact CB-CE1 4.12Å; P606-Y706 HydrophobicContact CG-CD1 3.87Å; P606-Y706 HydrophobicContact CG-CE1 4.25Å
607	E	93.6	Very high	84.2	Confident	5 Å²	5	42 Å²	42	2%	0.023	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-35.2	175.2	65	-84.7	-161.3	0	0	112.7	A605 G611 A612 V619 W662 P708 R711	A605-E607 VanDerWaalsContact C-N 3.3Å; A605-E607 VanDerWaalsContact CB-CD 3.48Å; A605-E607 HydrophobicContact CB-CG 4.48Å; A605-E607 WeakPolarHBondContact CB-OE1 3.48Å; A605-E607 WeakPolarHBondContact CB-OE2 3.46Å; A605-E607 PolarHBondContact O-N 3.04Å; E607-G611 PolarHBondContact O-N 3.45Å; E607-A612 HydrophobicContact CB-CB 3.92Å; E607-A612 VanDerWaalsContact O-CB 3.24Å; E607-A612 WeakPolarHBondContact O-CB 3.47Å; E607-A612 PolarHBondContact O-N 2.89Å; E607-V619 HydrophobicContact CG-CG1 4.44Å; E607-V619 WeakPolarHBondContact OE1-CG1 3.26Å; E607-W662 HydrophobicContact CB-CH2 3.9Å; E607-W662 HydrophobicContact CB-CZ2 3.91Å; E607-P708 HydrophobicContact CB-CG 4.13Å; E607-P708 HydrophobicContact CG-CG 3.94Å; E607-R711 IonicContact OE1-CZ 3.41Å; E607-R711 IonicContact OE1-NH1 2.74Å; E607-R711 PolarHBondContact OE1-NH1 3.42Å; E607-R711 IonicContact OE1-NH2 3.52Å; E607-R711 PolarHBondContact OE1-NH2 3.25Å; E607-R711 IonicContact OE2-CZ 3.44Å; E607-R711 IonicContact OE2-NH1 2.74Å; E607-R711 PolarHBondContact OE2-NH1 3.09Å; E607-R711 IonicContact OE2-NH2 2.65Å; E607-R711 PolarHBondContact OE2-NH2 2.9Å
608	L	91.4	Very high	86.2	Confident	34 Å²	34	41.8 Å²	41.8	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-75.9	-28.6	176	-62.3	178.4	0	0	0	112.6	R604 A605 P606 Y615 V619	R604-L608 HydrophobicContact CG-CB 3.76Å; R604-L608 HydrophobicContact CG-CD1 3.92Å; R604-L608 HydrophobicContact CG-CG 4.5Å; A605-L608 HydrophobicContact CB-CD1 4.5Å; A605-L608 WeakPolarHBondContact O-CB 3.36Å; A605-L608 PolarHBondContact O-N 3.04Å; A605-L608 VanDerWaalsContact O-N 3.08Å; P606-L608 VanDerWaalsContact C-N 3.28Å; P606-L608 PolarHBondContact O-N 3.11Å; L608-Y615 HydrophobicContact CD2-CD1 3.36Å; L608-Y615 HydrophobicContact CD2-CD2 4.05Å; L608-Y615 HydrophobicContact CD2-CE1 3.4Å; L608-Y615 VanDerWaalsContact CD2-CE1 3.4Å; L608-Y615 HydrophobicContact CD2-CE2 4.08Å; L608-Y615 HydrophobicContact CD2-CG 3.67Å; L608-V619 HydrophobicContact CD1-CB 4.04Å; L608-V619 HydrophobicContact CD1-CG1 3.9Å; L608-V619 HydrophobicContact CD2-CG1 4.26Å; L608-V619 HydrophobicContact CG-CG1 4.01Å
609	L	91.8	Very high	88.2	Confident	19 Å²	19	35.4 Å²	35.4	10%	0.099	19%	0.187	C	C	.	.	H	α-helix	trans	-77.1	-34.4	175.4	-68.2	165	0	0	0	111.6	R604 A605 P606 G611 D643 Q646 I647	R604-L609 HydrophobicContact CB-CD2 4.42Å; R604-L609 HydrophobicContact CB-CG 4.39Å; R604-L609 HydrophobicContact CG-CD2 4.46Å; R604-L609 HydrophobicContact CG-CG 4.3Å; A605-L609 PolarHBondContact O-N 2.95Å; P606-L609 PolarHBondContact O-N 3.42Å; P606-L609 VanDerWaalsContact O-N 3.13Å; L609-G611 VanDerWaalsContact C-N 3.34Å; L609-D643 HydrophobicContact CD2-CB 3.99Å; L609-Q646 HydrophobicContact CD1-CB 4.29Å; L609-Q646 HydrophobicContact CD1-CG 3.62Å; L609-Q646 HydrophobicContact CD2-CB 4.12Å; L609-Q646 HydrophobicContact CD2-CG 3.97Å; L609-Q646 HydrophobicContact CG-CG 4.47Å; L609-I647 HydrophobicContact CB-CB 4.38Å; L609-I647 HydrophobicContact CB-CD1 4.25Å; L609-I647 HydrophobicContact CD1-CB 4.29Å; L609-I647 HydrophobicContact CD1-CD1 4.07Å
610	L	91.5	Very high	89.9	Confident	1 Å²	1	34 Å²	34	1%	0.005	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	0.2	180	-63.5	171.3	0	0	0	113.8	P606 I647 W662 Y665 L668 A670 V671 F676	P606-L610 WeakPolarHBondContact O-CB 3.34Å; P606-L610 VanDerWaalsContact O-CG 3.32Å; P606-L610 WeakPolarHBondContact O-CG 3.41Å; P606-L610 PolarHBondContact O-N 2.74Å; L610-I647 HydrophobicContact CD1-CD1 4.46Å; L610-I647 HydrophobicContact CD2-CG1 4.17Å; L610-I647 HydrophobicContact CG-CD1 4.33Å; L610-I647 HydrophobicContact CG-CG1 4.42Å; L610-W662 HydrophobicContact CD1-CH2 3.92Å; L610-W662 HydrophobicContact CD1-CZ3 3.78Å; L610-Y665 HydrophobicContact CD1-CD2 4.25Å; L610-Y665 HydrophobicContact CD1-CE2 3.73Å; L610-L668 HydrophobicContact CB-CB 4.25Å; L610-L668 HydrophobicContact CB-CD1 3.9Å; L610-L668 HydrophobicContact CD1-CD1 3.73Å; L610-L668 HydrophobicContact CG-CD1 4.46Å; L610-A670 HydrophobicContact CB-CB 4.28Å; L610-A670 HydrophobicContact CD2-CB 3.96Å; L610-A670 VanDerWaalsContact O-CB 3.31Å; L610-A670 WeakPolarHBondContact O-CB 3.2Å; L610-A670 PolarHBondContact O-N 2.89Å; L610-V671 HydrophobicContact CD1-CG2 4.37Å; L610-V671 HydrophobicContact CD2-CG2 4.01Å; L610-F676 HydrophobicContact CD2-CE2 3.88Å; L610-F676 HydrophobicContact CD2-CZ 3.8Å
611	G	87.9	Confident	91.2	Very high	34 Å²	34	31.5 Å²	31.5	35%	0.351	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	22.4	168.6	0	0	0	0	0	116	E607 L609 K613 P669	E607-G611 PolarHBondContact O-N 3.45Å; L609-G611 VanDerWaalsContact C-N 3.34Å; G611-K613 PolarHBondContact O-N 3.48Å; G611-P669 WeakPolarHBondContact O-CG 3.21Å
612	A	86.4	Confident	91.7	Very high	25 Å²	25	29.9 Å²	29.9	21%	0.207	16%	0.155	C	C	.	.			trans	-58.9	128.3	171.3	0	0	0	0	0	110.8	E607 L668	E607-A612 HydrophobicContact CB-CB 3.92Å; E607-A612 VanDerWaalsContact O-CB 3.24Å; E607-A612 WeakPolarHBondContact O-CB 3.47Å; E607-A612 PolarHBondContact O-N 2.89Å; A612-L668 HydrophobicContact CB-CD2 4.29Å
613	K	78.3	Confident	91.8	Very high	147 Å²	147	26.1 Å²	26.1	64%	0.639	14%	0.142	S	C	*	.	S	Bend	trans	-79.6	-31.1	-177.4	-64.4	178	-177.8	172.7	0	112.8	A593 Y594 G611	A593-K613 WeakPolarHBondContact CA-O 3.45Å; A593-K613 HydrophobicContact CB-CB 4.44Å; Y594-K613 PolarHBondContact N-O 3.23Å; G611-K613 PolarHBondContact O-N 3.48Å
614	E	81.3	Confident	92	Very high	126 Å²	126	25.5 Å²	25.5	59%	0.589	14%	0.14	S	C	*	.			trans	-111.6	135.3	-177.1	-70.5	168.9	-150.3	0	0	109.1	L591	L591-E614 HydrophobicContact CB-CG 4.48Å
615	Y	84.5	Confident	92.2	Very high	14 Å²	14	24 Å²	24	6%	0.055	13%	0.134	C	C	.	.			trans	-160.9	157.9	-179.6	55.3	-94.1	0	0	0	110.7	L559 R561 Y594 L608 V619	L559-Y615 HydrophobicContact CD1-CD2 4.47Å; R561-Y615 PolarHBondContact NE-OH 2.78Å; R561-Y615 PolarHBondContact NH2-OH 3.27Å; Y594-Y615 WeakPolarHBondContact CB-OH 3.49Å; Y594-Y615 HydrophobicContact CD2-CD2 4.28Å; Y594-Y615 HydrophobicContact CD2-CE1 4.12Å; Y594-Y615 AromaticContact CD2-CE2 3.88Å; Y594-Y615 HydrophobicContact CD2-CE2 3.88Å; Y594-Y615 AromaticContact CD2-CZ 3.81Å; Y594-Y615 HydrophobicContact CG-CE1 4.45Å; Y594-Y615 HydrophobicContact CG-CE2 4.47Å; L608-Y615 HydrophobicContact CD2-CD1 3.36Å; L608-Y615 HydrophobicContact CD2-CD2 4.05Å; L608-Y615 HydrophobicContact CD2-CE1 3.4Å; L608-Y615 VanDerWaalsContact CD2-CE1 3.4Å; L608-Y615 HydrophobicContact CD2-CE2 4.08Å; L608-Y615 HydrophobicContact CD2-CG 3.67Å; Y615-V619 HydrophobicContact CD2-CG1 3.78Å; Y615-V619 HydrophobicContact CD2-CG2 4.22Å; Y615-V619 HydrophobicContact CG-CG1 4.04Å
616	S	88.6	Confident	92.4	Very high	40 Å²	40	24 Å²	24	28%	0.28	13%	0.133	S	C	.	.			trans	-132.4	-158.9	-170.7	65.3	0	0	0	0	111.1	A618 V619	S616-A618 PolarHBondContact O-N 3.15Å; S616-V619 WeakPolarHBondContact O-CG2 3.18Å; S616-V619 PolarHBondContact O-N 2.81Å
617	T	94.1	Very high	92.5	Very high	36 Å²	36	24 Å²	24	22%	0.221	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-29.8	175.9	50.7	0	0	0	0	114.5	H554 L559 Y587 V619 D620 M621	H554-T617 HydrophobicContact CB-CG2 3.79Å; H554-T617 PolarHBondContact CE1-O 3.13Å; H554-T617 VanDerWaalsContact CG-CG2 3.43Å; H554-T617 WeakPolarHBondContact ND1-CB 3.36Å; L559-T617 HydrophobicContact CD2-CG2 3.85Å; Y587-T617 HydrophobicContact CE1-CG2 3.83Å; Y587-T617 HydrophobicContact CE2-CG2 4.47Å; Y587-T617 WeakPolarHBondContact OH-CG2 3.44Å; T617-V619 PolarHBondContact O-N 2.76Å; T617-V619 VanDerWaalsContact O-N 3.11Å; T617-D620 PolarHBondContact O-N 3.1Å; T617-D620 VanDerWaalsContact O-N 3.1Å; T617-M621 PolarHBondContact O-N 3.28Å
618	A	95.7	Very high	92.7	Very high	7 Å²	7	23.7 Å²	23.7	6%	0.058	13%	0.132	C	C	.	.	H	α-helix	trans	-56.1	-27.9	-179.5	0	0	0	0	0	114.5	S616 D620 M621 W622 P708 R711	S616-A618 PolarHBondContact O-N 3.15Å; A618-D620 VanDerWaalsContact C-N 3.33Å; A618-D620 PolarHBondContact O-N 2.86Å; A618-M621 PolarHBondContact O-N 2.99Å; A618-W622 PolarHBondContact O-N 3.03Å; A618-W622 VanDerWaalsContact O-N 3.09Å; A618-P708 HydrophobicContact CB-CB 3.85Å; A618-R711 WeakPolarHBondContact O-CD 3.37Å; A618-R711 PolarHBondContact O-NH1 2.94Å
619	V	94.8	Very high	92.9	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.024	12%	0.124	C	C	.	.	H	α-helix	trans	-67.7	-34.3	179	-54.1	0	0	0	0	112.3	A605 E607 L608 Y615 S616 T617 S623	A605-V619 HydrophobicContact CB-CB 4.27Å; A605-V619 HydrophobicContact CB-CG1 4.39Å; E607-V619 HydrophobicContact CG-CG1 4.44Å; E607-V619 WeakPolarHBondContact OE1-CG1 3.26Å; L608-V619 HydrophobicContact CD1-CB 4.04Å; L608-V619 HydrophobicContact CD1-CG1 3.9Å; L608-V619 HydrophobicContact CD2-CG1 4.26Å; L608-V619 HydrophobicContact CG-CG1 4.01Å; Y615-V619 HydrophobicContact CD2-CG1 3.78Å; Y615-V619 HydrophobicContact CD2-CG2 4.22Å; Y615-V619 HydrophobicContact CG-CG1 4.04Å; S616-V619 WeakPolarHBondContact O-CG2 3.18Å; S616-V619 PolarHBondContact O-N 2.81Å; T617-V619 PolarHBondContact O-N 2.76Å; T617-V619 VanDerWaalsContact O-N 3.11Å; V619-S623 PolarHBondContact O-N 3Å; V619-S623 PolarHBondContact O-OG 3.08Å
620	D	96.2	Very high	93.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-71.7	-38.1	174.9	-70	-27.6	0	0	0	109.8	V550 H554 H560 R561 L563 T617 A618 W622 S623 V624	V550-D620 HydrophobicContact CG1-CB 4.38Å; H554-D620 IonicContact CD2-OD2 2.64Å; H554-D620 IonicContact CE1-OD2 3.04Å; H554-D620 IonicContact NE2-OD2 3.33Å; H554-D620 PolarHBondContact NE2-OD2 3.33Å; H560-D620 PolarHBondContact N-OD2 3.11Å; R561-D620 PolarHBondContact N-OD1 3.09Å; L563-D620 HydrophobicContact CD1-CB 3.71Å; T617-D620 PolarHBondContact O-N 3.1Å; T617-D620 VanDerWaalsContact O-N 3.1Å; A618-D620 VanDerWaalsContact C-N 3.33Å; A618-D620 PolarHBondContact O-N 2.86Å; D620-W622 PolarHBondContact O-N 3.38Å; D620-S623 CarbonylContact O-C 3.6Å; D620-S623 WeakPolarHBondContact O-CA 3.05Å; D620-S623 VanDerWaalsContact O-CB 3.25Å; D620-S623 WeakPolarHBondContact O-CB 3.25Å; D620-S623 PolarHBondContact O-N 3.42Å; D620-V624 WeakPolarHBondContact O-CG2 3.39Å; D620-V624 PolarHBondContact O-N 3.41Å
621	M	98.4	Very high	93.4	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-35.6	179.3	-57.6	-47.6	-55.4	0	0	113.4	L547 V550 T617 A618 S623 V624 G625 F703 R711 I712 A714	L547-M621 HydrophobicContact CD2-CE 3.79Å; V550-M621 HydrophobicContact CG1-SD 3.89Å; T617-M621 PolarHBondContact O-N 3.28Å; A618-M621 PolarHBondContact O-N 2.99Å; M621-S623 VanDerWaalsContact C-N 3.33Å; M621-V624 WeakPolarHBondContact O-CB 3.45Å; M621-V624 PolarHBondContact O-N 3.14Å; M621-G625 PolarHBondContact O-N 2.82Å; M621-F703 HydrophobicContact CE-CD1 3.87Å; M621-F703 HydrophobicContact CE-CE1 3.52Å; M621-R711 HydrophobicContact CB-CG 4.5Å; M621-I712 WeakPolarHBondContact CG-O 3.22Å; M621-A714 HydrophobicContact CE-CB 4.07Å; M621-A714 HydrophobicContact SD-CB 3.77Å
622	W	98	Very high	93.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63	-41.4	169.4	177.2	-83.1	0	0	0	111.9	R604 A605 P606 A618 D620 V624 G625 C626 F638 V650 L654 L704	R604-W622 PolarHBondContact O-NE1 3.33Å; A605-W622 VanDerWaalsContact CA-CD1 3.42Å; A605-W622 HydrophobicContact CB-CB 3.77Å; A605-W622 HydrophobicContact CB-CD2 4.4Å; A605-W622 HydrophobicContact CB-CG 3.75Å; P606-W622 VanDerWaalsContact CD-CD2 3.49Å; P606-W622 HydrophobicContact CG-CE3 4.11Å; P606-W622 HydrophobicContact CG-CH2 3.94Å; P606-W622 HydrophobicContact CG-CZ2 4.4Å; P606-W622 HydrophobicContact CG-CZ3 3.78Å; A618-W622 PolarHBondContact O-N 3.03Å; A618-W622 VanDerWaalsContact O-N 3.09Å; D620-W622 PolarHBondContact O-N 3.38Å; W622-V624 VanDerWaalsContact C-N 3.31Å; W622-V624 PolarHBondContact O-N 2.97Å; W622-G625 PolarHBondContact O-N 2.96Å; W622-G625 VanDerWaalsContact O-N 3.15Å; W622-C626 PolarHBondContact NE1-SG 2.91Å; W622-C626 VanDerWaalsContact NE1-SG 3.36Å; W622-C626 PolarHBondContact O-N 3.15Å; W622-C626 PolarHBondContact O-SG 2.89Å; W622-F638 HydrophobicContact CZ2-CD2 4.37Å; W622-F638 AromaticContact CZ2-CE2 3.75Å; W622-F638 HydrophobicContact CZ2-CE2 3.75Å; W622-F638 HydrophobicContact CZ2-CZ 4.46Å; W622-V650 HydrophobicContact CH2-CG1 3.54Å; W622-V650 HydrophobicContact CZ2-CG1 3.63Å; W622-V650 HydrophobicContact CZ2-CG2 4.06Å; W622-L654 HydrophobicContact CH2-CD1 3.52Å; W622-L654 HydrophobicContact CZ2-CD1 4.43Å; W622-L654 HydrophobicContact CZ3-CD1 4.14Å; W622-L704 HydrophobicContact CD2-CD2 4.14Å; W622-L704 HydrophobicContact CE3-CD2 4.22Å; W622-L704 HydrophobicContact CH2-CD2 4.44Å; W622-L704 HydrophobicContact CZ2-CD2 4.34Å; W622-L704 HydrophobicContact CZ3-CB 4.32Å; W622-L704 HydrophobicContact CZ3-CD2 4.38Å; W622-L704 VanDerWaalsContact CZ3-O 3.31Å; W622-L704 WeakPolarHBondContact CZ3-O 3.33Å
623	S	97.6	Very high	93.9	Very high	9 Å²	9	20.4 Å²	20.4	6%	0.063	10%	0.104	C	C	.	.	H	α-helix	trans	-63.3	-39.5	177.4	-52.6	0	0	0	0	111	Y603 V619 D620 M621 C626 I627	Y603-S623 PolarHBondContact O-OG 3.07Å; Y603-S623 VanDerWaalsContact O-OG 3.13Å; V619-S623 PolarHBondContact O-N 3Å; V619-S623 PolarHBondContact O-OG 3.08Å; D620-S623 CarbonylContact O-C 3.6Å; D620-S623 WeakPolarHBondContact O-CA 3.05Å; D620-S623 VanDerWaalsContact O-CB 3.25Å; D620-S623 WeakPolarHBondContact O-CB 3.25Å; D620-S623 PolarHBondContact O-N 3.42Å; M621-S623 VanDerWaalsContact C-N 3.33Å; S623-C626 WeakPolarHBondContact O-CB 3.34Å; S623-C626 PolarHBondContact O-N 3.29Å; S623-I627 WeakPolarHBondContact O-CD1 3.4Å; S623-I627 VanDerWaalsContact O-CG1 3.25Å; S623-I627 WeakPolarHBondContact O-CG1 3.37Å; S623-I627 PolarHBondContact O-N 3.27Å
624	V	98.5	Very high	94.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.8	-42.9	171.6	171.1	0	0	0	0	111.5	M543 L546 L547 V550 L563 D620 M621 W622 C626 I627 F628 F703	M543-V624 HydrophobicContact CE-CG1 3.59Å; L546-V624 HydrophobicContact CD2-CG1 4.2Å; L546-V624 HydrophobicContact CD2-CG2 4.13Å; L546-V624 HydrophobicContact CG-CG2 4.22Å; L547-V624 HydrophobicContact CD2-CG1 4.03Å; V550-V624 HydrophobicContact CG2-CG2 4.16Å; L563-V624 HydrophobicContact CD1-CG2 4.02Å; D620-V624 WeakPolarHBondContact O-CG2 3.39Å; D620-V624 PolarHBondContact O-N 3.41Å; M621-V624 WeakPolarHBondContact O-CB 3.45Å; M621-V624 PolarHBondContact O-N 3.14Å; W622-V624 VanDerWaalsContact C-N 3.31Å; W622-V624 PolarHBondContact O-N 2.97Å; V624-C626 PolarHBondContact O-N 2.88Å; V624-I627 PolarHBondContact O-N 2.89Å; V624-F628 PolarHBondContact O-N 2.86Å; V624-F703 HydrophobicContact CG1-CD1 4.35Å; V624-F703 HydrophobicContact CG1-CE1 4.09Å; V624-F703 HydrophobicContact CG1-CE2 4.3Å; V624-F703 HydrophobicContact CG1-CZ 4.07Å
625	G	98	Very high	95.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.3	-41.1	172.9	0	0	0	0	0	113.6	M621 W622 I627 F628 G629	M621-G625 PolarHBondContact O-N 2.82Å; W622-G625 PolarHBondContact O-N 2.96Å; W622-G625 VanDerWaalsContact O-N 3.15Å; G625-I627 VanDerWaalsContact C-N 3.34Å; G625-I627 PolarHBondContact O-N 3.29Å; G625-F628 PolarHBondContact O-N 3.43Å; G625-G629 PolarHBondContact O-N 2.69Å; G625-G629 VanDerWaalsContact O-N 3.15Å
626	C	98.1	Very high	95.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-39.6	174.4	-64.4	0	0	0	0	112.4	Y603 W622 S623 V624 E630	Y603-C626 HydrophobicContact CD1-CB 3.7Å; Y603-C626 HydrophobicContact CE1-CB 4.49Å; Y603-C626 HydrophobicContact CG-CB 4.46Å; W622-C626 PolarHBondContact NE1-SG 2.91Å; W622-C626 VanDerWaalsContact NE1-SG 3.36Å; W622-C626 PolarHBondContact O-N 3.15Å; W622-C626 PolarHBondContact O-SG 2.89Å; S623-C626 WeakPolarHBondContact O-CB 3.34Å; S623-C626 PolarHBondContact O-N 3.29Å; V624-C626 PolarHBondContact O-N 2.88Å; C626-E630 PolarHBondContact O-N 3.09Å; C626-E630 VanDerWaalsContact O-N 3.1Å
627	I	98.1	Very high	95.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-68	-41.9	176.6	-69.4	160	0	0	0	110.9	L546 L563 T565 L568 Y603 S623 V624 G625 G629 E630 L631	L546-I627 HydrophobicContact CD2-CB 4.46Å; L546-I627 HydrophobicContact CD2-CD1 4.39Å; L546-I627 HydrophobicContact CD2-CG2 3.94Å; L563-I627 HydrophobicContact CB-CD1 4.15Å; T565-I627 HydrophobicContact CG2-CG1 4.32Å; T565-I627 HydrophobicContact CG2-CG2 4.22Å; L568-I627 HydrophobicContact CD1-CD1 4.12Å; L568-I627 HydrophobicContact CD1-CG2 3.93Å; Y603-I627 HydrophobicContact CD1-CG1 3.92Å; Y603-I627 HydrophobicContact CE1-CG1 3.92Å; S623-I627 WeakPolarHBondContact O-CD1 3.4Å; S623-I627 VanDerWaalsContact O-CG1 3.25Å; S623-I627 WeakPolarHBondContact O-CG1 3.37Å; S623-I627 PolarHBondContact O-N 3.27Å; V624-I627 PolarHBondContact O-N 2.89Å; G625-I627 VanDerWaalsContact C-N 3.34Å; G625-I627 PolarHBondContact O-N 3.29Å; I627-G629 PolarHBondContact O-N 2.83Å; I627-E630 PolarHBondContact O-N 2.9Å; I627-E630 VanDerWaalsContact O-N 3.13Å; I627-L631 HydrophobicContact CG2-CD1 4.07Å; I627-L631 HydrophobicContact CG2-CG 4.28Å; I627-L631 WeakPolarHBondContact O-CG 3.37Å; I627-L631 PolarHBondContact O-N 3.27Å
628	F	98	Very high	96	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-57.1	-47.7	175.5	-175.1	-151.7	0	0	0	111.6	V539 M543 V624 G625 E630 L631 L632 L692 L699 M700 F703 Y722	V539-F628 HydrophobicContact CG1-CD2 3.82Å; V539-F628 HydrophobicContact CG1-CE2 3.78Å; M543-F628 HydrophobicContact CE-CB 3.69Å; M543-F628 HydrophobicContact CE-CD1 4.46Å; M543-F628 HydrophobicContact CE-CD2 4.26Å; M543-F628 HydrophobicContact CE-CG 3.91Å; M543-F628 HydrophobicContact CG-CD2 3.84Å; M543-F628 HydrophobicContact CG-CE2 4.37Å; M543-F628 HydrophobicContact CG-CG 4.44Å; M543-F628 HydrophobicContact SD-CB 3.73Å; M543-F628 HydrophobicContact SD-CD2 4.02Å; M543-F628 HydrophobicContact SD-CG 4.09Å; V624-F628 PolarHBondContact O-N 2.86Å; G625-F628 PolarHBondContact O-N 3.43Å; F628-E630 VanDerWaalsContact C-N 3.33Å; F628-E630 PolarHBondContact O-N 2.81Å; F628-L631 PolarHBondContact O-N 2.92Å; F628-L632 HydrophobicContact CD2-CD1 3.93Å; F628-L632 HydrophobicContact CD2-CG 4.3Å; F628-L632 HydrophobicContact CE2-CD1 3.78Å; F628-L632 HydrophobicContact CE2-CD2 4.38Å; F628-L632 HydrophobicContact CE2-CG 4.21Å; F628-L632 HydrophobicContact CG-CD1 4.44Å; F628-L632 HydrophobicContact CZ-CD1 4.18Å; F628-L632 WeakPolarHBondContact O-CD1 3.46Å; F628-L632 WeakPolarHBondContact O-CG 3.39Å; F628-L632 PolarHBondContact O-N 3.15Å; F628-L692 HydrophobicContact CE1-CD1 4.42Å; F628-L692 HydrophobicContact CE2-CD2 4.34Å; F628-L692 HydrophobicContact CZ-CD1 4.32Å; F628-L692 HydrophobicContact CZ-CD2 3.86Å; F628-L699 HydrophobicContact CE1-CD2 4.4Å; F628-L699 HydrophobicContact CE1-CG 4.47Å; F628-M700 HydrophobicContact CD1-CB 4.15Å; F628-M700 HydrophobicContact CD1-CE 3.78Å; F628-M700 HydrophobicContact CE1-CB 4.02Å; F628-M700 HydrophobicContact CE1-CE 4.09Å; F628-M700 HydrophobicContact CG-CE 4.2Å; F628-F703 HydrophobicContact CD1-CD2 4.34Å; F628-F703 HydrophobicContact CD1-CE2 4.49Å; F628-Y722 AromaticContact CE2-CE1 3.85Å; F628-Y722 HydrophobicContact CE2-CE1 3.85Å; F628-Y722 HydrophobicContact CZ-CD1 4.24Å; F628-Y722 AromaticContact CZ-CE1 3.52Å; F628-Y722 HydrophobicContact CZ-CE1 3.52Å; F628-Y722 AromaticContact CZ-CZ 3.76Å
629	G	96.1	Very high	96	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.2	-34.3	175.1	0	0	0	0	0	114	G625 I627 T633	G625-G629 PolarHBondContact O-N 2.69Å; G625-G629 VanDerWaalsContact O-N 3.15Å; I627-G629 PolarHBondContact O-N 2.83Å; G629-T633 PolarHBondContact O-N 3.38Å; G629-T633 PolarHBondContact O-OG1 3.07Å
630	E	95.9	Very high	95.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-72.6	-39.4	175.1	-178.4	166.1	-154.3	0	0	112.4	K524 M527 T565 Y603 C626 I627 F628 L632 T633 Q634 K635 P636	K524-E630 IonicContact NZ-OE1 3.98Å; K524-E630 PolarHBondContact NZ-OE1 2.93Å; M527-E630 HydrophobicContact CE-CG 3.81Å; M527-E630 WeakPolarHBondContact CE-O 3.25Å; T565-E630 HydrophobicContact CG2-CG 4.25Å; T565-E630 VanDerWaalsContact CG2-OE2 3.27Å; T565-E630 WeakPolarHBondContact CG2-OE2 3.41Å; T565-E630 PolarHBondContact OG1-OE2 2.8Å; T565-E630 VanDerWaalsContact OG1-OE2 3.07Å; Y603-E630 WeakPolarHBondContact CE1-OE2 3.46Å; Y603-E630 PolarHBondContact OH-OE2 3.39Å; C626-E630 PolarHBondContact O-N 3.09Å; C626-E630 VanDerWaalsContact O-N 3.1Å; I627-E630 PolarHBondContact O-N 2.9Å; I627-E630 VanDerWaalsContact O-N 3.13Å; F628-E630 VanDerWaalsContact C-N 3.33Å; F628-E630 PolarHBondContact O-N 2.81Å; E630-L632 VanDerWaalsContact C-N 3.35Å; E630-L632 PolarHBondContact O-N 2.86Å; E630-T633 PolarHBondContact O-N 3.08Å; E630-Q634 VanDerWaalsContact O-CA 3.25Å; E630-Q634 WeakPolarHBondContact O-CA 3.48Å; E630-Q634 PolarHBondContact O-N 2.83Å; E630-K635 WeakPolarHBondContact CA-O 3.41Å; E630-P636 WeakPolarHBondContact OE1-CD 3.5Å; E630-P636 WeakPolarHBondContact OE1-CG 3.46Å
631	L	95.8	Very high	95.7	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-44.3	176.5	-74	171.6	0	0	0	112.2	L523 M527 F534 V539 L542 M543 I627 F628 T633	L523-L631 HydrophobicContact CD2-CD2 4.01Å; L523-L631 HydrophobicContact CG-CD2 4.38Å; M527-L631 HydrophobicContact CE-CD2 4.21Å; M527-L631 HydrophobicContact SD-CD2 3.91Å; F534-L631 HydrophobicContact CD2-CD2 3.65Å; F534-L631 HydrophobicContact CE2-CD2 3.66Å; V539-L631 HydrophobicContact CG1-CB 4.08Å; V539-L631 HydrophobicContact CG1-CD1 4.35Å; V539-L631 HydrophobicContact CG2-CB 4.25Å; L542-L631 HydrophobicContact CB-CD1 4.37Å; L542-L631 HydrophobicContact CD1-CD2 4Å; M543-L631 HydrophobicContact CG-CD1 4.33Å; M543-L631 HydrophobicContact SD-CD1 4.07Å; I627-L631 HydrophobicContact CG2-CD1 4.07Å; I627-L631 HydrophobicContact CG2-CG 4.28Å; I627-L631 WeakPolarHBondContact O-CG 3.37Å; I627-L631 PolarHBondContact O-N 3.27Å; F628-L631 PolarHBondContact O-N 2.92Å; L631-T633 VanDerWaalsContact C-N 3.32Å; L631-T633 PolarHBondContact O-N 3.26Å
632	L	94.4	Very high	95.4	Very high	12 Å²	12	27.3 Å²	27.3	6%	0.063	14%	0.14	C	C	.	.	H	α-helix	trans	-68.9	-25.5	179.8	-65.4	161.4	0	0	0	113.8	V539 F628 E630 F688 L692 M700	V539-L632 HydrophobicContact CG1-CD2 4.13Å; V539-L632 HydrophobicContact CG1-CG 4.35Å; V539-L632 HydrophobicContact CG2-CD2 4.34Å; F628-L632 HydrophobicContact CD2-CD1 3.93Å; F628-L632 HydrophobicContact CD2-CG 4.3Å; F628-L632 HydrophobicContact CE2-CD1 3.78Å; F628-L632 HydrophobicContact CE2-CD2 4.38Å; F628-L632 HydrophobicContact CE2-CG 4.21Å; F628-L632 HydrophobicContact CG-CD1 4.44Å; F628-L632 HydrophobicContact CZ-CD1 4.18Å; F628-L632 WeakPolarHBondContact O-CD1 3.46Å; F628-L632 WeakPolarHBondContact O-CG 3.39Å; F628-L632 PolarHBondContact O-N 3.15Å; E630-L632 VanDerWaalsContact C-N 3.35Å; E630-L632 PolarHBondContact O-N 2.86Å; L632-F688 HydrophobicContact CB-CE1 4.26Å; L632-F688 HydrophobicContact CD1-CD1 4.06Å; L632-F688 HydrophobicContact CD1-CE1 4.14Å; L632-L692 HydrophobicContact CD1-CD1 3.8Å; L632-L692 HydrophobicContact CD1-CD2 3.77Å; L632-L692 HydrophobicContact CD1-CG 3.92Å; L632-L692 HydrophobicContact CD2-CD2 3.88Å; L632-M700 HydrophobicContact CD1-CE 3.65Å
633	T	92.4	Very high	95	Very high	29 Å²	29	31 Å²	31	18%	0.178	16%	0.16	C	C	.	.	H	α-helix	trans	-122.5	-2.9	-169.2	63.1	0	0	0	0	115	G629 E630 L631 K635 F688 L691	G629-T633 PolarHBondContact O-N 3.38Å; G629-T633 PolarHBondContact O-OG1 3.07Å; E630-T633 PolarHBondContact O-N 3.08Å; L631-T633 VanDerWaalsContact C-N 3.32Å; L631-T633 PolarHBondContact O-N 3.26Å; T633-K635 WeakPolarHBondContact O-CG 3.2Å; T633-K635 PolarHBondContact O-N 3.15Å; T633-K635 VanDerWaalsContact O-N 3.11Å; T633-K635 PolarHBondContact OG1-O 3.46Å; T633-F688 HydrophobicContact CG2-CD1 4.31Å; T633-F688 HydrophobicContact CG2-CE1 3.57Å; T633-F688 HydrophobicContact CG2-CZ 4.15Å; T633-L691 HydrophobicContact CG2-CD1 3.77Å
634	Q	92.3	Very high	94.7	Very high	50 Å²	50	34.5 Å²	34.5	23%	0.234	18%	0.177	C	C	.	.	S	Bend	trans	52.5	17.8	-168.2	-61.6	178.5	-77.5	0	0	114.7	M527 M530 Q532 P533 E630	M527-Q634 PolarHBondContact O-NE2 3.34Å; M530-Q634 PolarHBondContact O-NE2 3.25Å; Q532-Q634 PolarHBondContact O-NE2 3.02Å; P533-Q634 HydrophobicContact CB-CG 3.99Å; P533-Q634 HydrophobicContact CG-CG 4.08Å; P533-Q634 VanDerWaalsContact N-OE1 3.17Å; E630-Q634 VanDerWaalsContact O-CA 3.25Å; E630-Q634 WeakPolarHBondContact O-CA 3.48Å; E630-Q634 PolarHBondContact O-N 2.83Å
635	K	92.4	Very high	94.5	Very high	145 Å²	145	36.8 Å²	36.8	63%	0.63	19%	0.189	S	C	*	.	S	Bend	trans	-134.2	133.7	-172.1	-70.6	163.5	-172.1	163.2	0	110.2	E630 T633 L637	E630-K635 WeakPolarHBondContact CA-O 3.41Å; T633-K635 WeakPolarHBondContact O-CG 3.2Å; T633-K635 PolarHBondContact O-N 3.15Å; T633-K635 VanDerWaalsContact O-N 3.11Å; T633-K635 PolarHBondContact OG1-O 3.46Å; K635-L637 PolarHBondContact O-N 3.17Å
636	P	94.3	Very high	94.3	Very high	21 Å²	21	36.8 Å²	36.8	14%	0.136	19%	0.189	C	C	.	.			trans	-51.1	134.8	176.3	-25.3	31.5	0	0	0	111.3	W602 E630 P639	W602-P636 HydrophobicContact CD2-CB 4.23Å; W602-P636 HydrophobicContact CD2-CG 4.46Å; W602-P636 HydrophobicContact CE3-CB 3.67Å; W602-P636 HydrophobicContact CE3-CG 3.53Å; W602-P636 HydrophobicContact CH2-CG 4.45Å; W602-P636 HydrophobicContact CZ3-CB 4.18Å; W602-P636 HydrophobicContact CZ3-CG 3.53Å; E630-P636 WeakPolarHBondContact OE1-CD 3.5Å; E630-P636 WeakPolarHBondContact OE1-CG 3.46Å; P636-P639 HydrophobicContact CB-CB 4.33Å
637	L	94.9	Very high	94.1	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.19	C	C	.	.	S	Bend	trans	-60.4	-52.4	-174.8	-175.4	61.6	0	0	0	111.1	K635 R687 F688 L704	K635-L637 PolarHBondContact O-N 3.17Å; L637-R687 PolarHBondContact O-NH1 3.29Å; L637-R687 PolarHBondContact O-NH2 2.96Å; L637-R687 VanDerWaalsContact O-NH2 3.15Å; L637-F688 HydrophobicContact CD1-CE2 3.71Å; L637-F688 HydrophobicContact CD1-CZ 3.65Å; L637-L704 HydrophobicContact CD2-CD1 3.64Å; L637-L704 HydrophobicContact CD2-CD2 4.1Å
638	F	96	Very high	93.9	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	20%	0.2	C	C	.	.	S	Bend	trans	-124.8	84	-177.8	-51.4	-60.5	0	0	0	111.2	W602 W622 G640 Q646 V650 D653 L654 L704	W602-F638 WeakPolarHBondContact CA-O 3.2Å; W622-F638 HydrophobicContact CZ2-CD2 4.37Å; W622-F638 AromaticContact CZ2-CE2 3.75Å; W622-F638 HydrophobicContact CZ2-CE2 3.75Å; W622-F638 HydrophobicContact CZ2-CZ 4.46Å; F638-G640 PolarHBondContact O-N 3.49Å; F638-Q646 VanDerWaalsContact CB-NE2 3.27Å; F638-Q646 PolarHBondContact O-NE2 3Å; F638-Q646 PolarHBondContact O-OE1 3.49Å; F638-V650 HydrophobicContact CB-CG2 4.13Å; F638-V650 HydrophobicContact CD1-CG2 4Å; F638-V650 HydrophobicContact CD2-CG2 3.72Å; F638-V650 HydrophobicContact CE1-CG2 4.31Å; F638-V650 HydrophobicContact CE2-CG2 4.03Å; F638-V650 HydrophobicContact CG-CG2 3.69Å; F638-V650 HydrophobicContact CZ-CG2 4.32Å; F638-D653 HydrophobicContact CD1-CB 4.48Å; F638-D653 HydrophobicContact CE1-CB 3.83Å; F638-L654 HydrophobicContact CE1-CG 4.5Å; F638-L654 HydrophobicContact CZ-CD1 4.24Å; F638-L654 HydrophobicContact CZ-CD2 4.1Å; F638-L654 HydrophobicContact CZ-CG 4.12Å; F638-L704 HydrophobicContact CE2-CD2 4.18Å
639	P	94.9	Very high	93.8	Very high	56 Å²	56	41.8 Å²	41.8	36%	0.364	21%	0.213	S	C	.	.			trans	-83.5	77.5	-175.8	31.6	-33.8	0	0	0	112.3	W602 P636 K649	W602-P639 HydrophobicContact CD2-CB 4.48Å; P636-P639 HydrophobicContact CB-CB 4.33Å; P639-K649 WeakPolarHBondContact O-CD 3.31Å; P639-K649 VanDerWaalsContact O-CE 3.23Å; P639-K649 WeakPolarHBondContact O-CE 3.44Å; P639-K649 PolarHBondContact O-NZ 2.99Å
640	G	94	Very high	93.7	Very high	4 Å²	4	41.8 Å²	41.8	4%	0.041	21%	0.213	C	C	.	.			trans	-83	161.2	176.2	0	0	0	0	0	115.6	W602 F638 D645	W602-G640 VanDerWaalsContact CD1-N 3.31Å; W602-G640 PolarHBondContact NE1-O 3.45Å; F638-G640 PolarHBondContact O-N 3.49Å; G640-D645 WeakPolarHBondContact CA-OD2 3.29Å
641	K	91.8	Very high	93.7	Very high	184 Å²	184	41.8 Å²	41.8	80%	0.8	21%	0.213	S	C	*	.	S	Bend	trans	-113.3	-20.7	-179.2	-61.9	176.4	-179.6	176.8	0	114.1	L601 D645	L601-K641 VanDerWaalsContact CD1-C 3.5Å; K641-D645 WeakPolarHBondContact CB-OD2 3.38Å; K641-D645 PolarHBondContact N-OD2 3.39Å
642	S	91.6	Very high	93.5	Very high	57 Å²	57	47.5 Å²	47.5	40%	0.399	24%	0.238	S	C	.	.	S	Bend	trans	-145.3	168.5	175	65.4	0	0	0	0	108.7	I644 D645 Q646	S642-I644 PolarHBondContact O-N 2.81Å; S642-D645 PolarHBondContact O-N 3.5Å; S642-D645 WeakPolarHBondContact OG-CB 3.35Å; S642-D645 PolarHBondContact OG-N 2.79Å; S642-D645 VanDerWaalsContact OG-N 3.16Å; S642-Q646 WeakPolarHBondContact O-CB 3.01Å; S642-Q646 PolarHBondContact O-N 3.16Å
643	D	90.5	Very high	93.4	Very high	78 Å²	78	48.5 Å²	48.5	42%	0.417	24%	0.243	S	C	.	.	H	α-helix	trans	-57.9	-37.6	177.7	-61.2	-36.8	0	0	0	112	L601 R604 L609 Q646 I647	L601-D643 WeakPolarHBondContact CD2-OD1 3.32Å; R604-D643 IonicContact CZ-OD1 3.87Å; R604-D643 IonicContact NH1-OD1 2.63Å; R604-D643 PolarHBondContact NH1-OD1 2.83Å; R604-D643 IonicContact NH1-OD2 3.99Å; R604-D643 IonicContact NH2-OD1 3.66Å; L609-D643 HydrophobicContact CD2-CB 3.99Å; D643-Q646 PolarHBondContact O-N 3.29Å; D643-I647 PolarHBondContact O-N 3.42Å
644	I	91.1	Very high	93.5	Very high	82 Å²	82	47.7 Å²	47.7	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-71.6	-44.9	178.4	-57.5	173.8	0	0	0	111.6	S642 Q646 I647 N648 M674	S642-I644 PolarHBondContact O-N 2.81Å; I644-Q646 VanDerWaalsContact C-N 3.28Å; I644-Q646 PolarHBondContact O-N 3.28Å; I644-I647 WeakPolarHBondContact O-CG2 3.4Å; I644-I647 PolarHBondContact O-N 2.94Å; I644-N648 WeakPolarHBondContact O-CB 3.41Å; I644-N648 VanDerWaalsContact O-CG 3.27Å; I644-N648 PolarHBondContact O-N 2.66Å; I644-N648 PolarHBondContact O-ND2 3.45Å; I644-M674 HydrophobicContact CD1-CE 4.15Å; I644-M674 HydrophobicContact CD1-SD 3.87Å; I644-M674 HydrophobicContact CG1-SD 4.26Å
645	D	93.1	Very high	93.6	Very high	48 Å²	48	45.7 Å²	45.7	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-66.7	-32.5	175.5	178	54.9	0	0	0	111.4	G640 K641 S642 K649	G640-D645 WeakPolarHBondContact CA-OD2 3.29Å; K641-D645 WeakPolarHBondContact CB-OD2 3.38Å; K641-D645 PolarHBondContact N-OD2 3.39Å; S642-D645 PolarHBondContact O-N 3.5Å; S642-D645 WeakPolarHBondContact OG-CB 3.35Å; S642-D645 PolarHBondContact OG-N 2.79Å; S642-D645 VanDerWaalsContact OG-N 3.16Å; D645-K649 WeakPolarHBondContact O-CD 3.29Å; D645-K649 WeakPolarHBondContact O-CG 3.28Å; D645-K649 PolarHBondContact O-N 2.91Å; D645-K649 WeakPolarHBondContact OD1-CE 3.28Å; D645-K649 IonicContact OD1-NZ 2.89Å; D645-K649 WeakPolarHBondContact OD2-CE 3.39Å; D645-K649 IonicContact OD2-NZ 3.33Å
646	Q	95	Very high	93.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-53.6	174.2	-174.8	66.9	34	0	0	111.2	L601 W602 L609 F638 S642 D643 I644 N648 K649 V650	L601-Q646 HydrophobicContact CB-CG 4.3Å; L601-Q646 WeakPolarHBondContact O-CG 3.35Å; L601-Q646 PolarHBondContact O-NE2 3.08Å; L601-Q646 PolarHBondContact O-OE1 2.97Å; W602-Q646 PolarHBondContact O-NE2 2.98Å; L609-Q646 HydrophobicContact CD1-CB 4.29Å; L609-Q646 HydrophobicContact CD1-CG 3.62Å; L609-Q646 HydrophobicContact CD2-CB 4.12Å; L609-Q646 HydrophobicContact CD2-CG 3.97Å; L609-Q646 HydrophobicContact CG-CG 4.47Å; F638-Q646 VanDerWaalsContact CB-NE2 3.27Å; F638-Q646 PolarHBondContact O-NE2 3Å; F638-Q646 PolarHBondContact O-OE1 3.49Å; S642-Q646 WeakPolarHBondContact O-CB 3.01Å; S642-Q646 PolarHBondContact O-N 3.16Å; D643-Q646 PolarHBondContact O-N 3.29Å; I644-Q646 VanDerWaalsContact C-N 3.28Å; I644-Q646 PolarHBondContact O-N 3.28Å; Q646-N648 PolarHBondContact O-N 3.37Å; Q646-K649 PolarHBondContact O-N 3.46Å; Q646-V650 WeakPolarHBondContact O-CG2 3.33Å; Q646-V650 PolarHBondContact O-N 3.2Å; Q646-V650 VanDerWaalsContact O-N 3.15Å
647	I	94.3	Very high	93.5	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-67.5	-36.5	-178.8	-164.1	69	0	0	0	112.1	P606 L609 L610 D643 I644 K649 V650 F651 F676	P606-I647 HydrophobicContact CB-CD1 3.73Å; L609-I647 HydrophobicContact CB-CB 4.38Å; L609-I647 HydrophobicContact CB-CD1 4.25Å; L609-I647 HydrophobicContact CD1-CB 4.29Å; L609-I647 HydrophobicContact CD1-CD1 4.07Å; L610-I647 HydrophobicContact CD1-CD1 4.46Å; L610-I647 HydrophobicContact CD2-CG1 4.17Å; L610-I647 HydrophobicContact CG-CD1 4.33Å; L610-I647 HydrophobicContact CG-CG1 4.42Å; D643-I647 PolarHBondContact O-N 3.42Å; I644-I647 WeakPolarHBondContact O-CG2 3.4Å; I644-I647 PolarHBondContact O-N 2.94Å; I647-K649 VanDerWaalsContact C-N 3.3Å; I647-K649 PolarHBondContact O-N 3.17Å; I647-V650 HydrophobicContact CD1-CB 4.45Å; I647-V650 WeakPolarHBondContact O-CB 3.4Å; I647-V650 PolarHBondContact O-N 2.8Å; I647-V650 VanDerWaalsContact O-N 3.08Å; I647-F651 HydrophobicContact CD1-CE1 3.91Å; I647-F651 HydrophobicContact CD1-CZ 3.99Å; I647-F651 HydrophobicContact CG1-CD1 4.37Å; I647-F651 HydrophobicContact CG1-CD2 4.22Å; I647-F651 HydrophobicContact CG1-CE1 3.77Å; I647-F651 HydrophobicContact CG1-CE2 3.63Å; I647-F651 HydrophobicContact CG1-CZ 3.39Å; I647-F651 HydrophobicContact CG2-CE2 4.39Å; I647-F651 WeakPolarHBondContact O-CG 3.38Å; I647-F651 PolarHBondContact O-N 3.37Å; I647-F676 HydrophobicContact CG2-CD1 4.12Å; I647-F676 HydrophobicContact CG2-CE1 3.6Å; I647-F676 HydrophobicContact CG2-CZ 4.39Å
648	N	93.3	Very high	93.3	Very high	42 Å²	42	42.1 Å²	42.1	23%	0.225	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-32.7	174.5	-75.1	-17.4	0	0	0	112.9	I644 Q646 K652	I644-N648 WeakPolarHBondContact O-CB 3.41Å; I644-N648 VanDerWaalsContact O-CG 3.27Å; I644-N648 PolarHBondContact O-N 2.66Å; I644-N648 PolarHBondContact O-ND2 3.45Å; Q646-N648 PolarHBondContact O-N 3.37Å; N648-K652 VanDerWaalsContact O-CB 3.27Å; N648-K652 WeakPolarHBondContact O-CB 3.5Å; N648-K652 PolarHBondContact O-N 3.48Å
649	K	94.9	Very high	93.1	Very high	60 Å²	60	45.4 Å²	45.4	26%	0.261	24%	0.238	S	C	.	.	H	α-helix	trans	-69.7	-36.5	171.9	-73.9	159	-171	-100.1	0	112.4	P639 D645 Q646 I647 D653	P639-K649 WeakPolarHBondContact O-CD 3.31Å; P639-K649 VanDerWaalsContact O-CE 3.23Å; P639-K649 WeakPolarHBondContact O-CE 3.44Å; P639-K649 PolarHBondContact O-NZ 2.99Å; D645-K649 WeakPolarHBondContact O-CD 3.29Å; D645-K649 WeakPolarHBondContact O-CG 3.28Å; D645-K649 PolarHBondContact O-N 2.91Å; D645-K649 WeakPolarHBondContact OD1-CE 3.28Å; D645-K649 IonicContact OD1-NZ 2.89Å; D645-K649 WeakPolarHBondContact OD2-CE 3.39Å; D645-K649 IonicContact OD2-NZ 3.33Å; Q646-K649 PolarHBondContact O-N 3.46Å; I647-K649 VanDerWaalsContact C-N 3.3Å; I647-K649 PolarHBondContact O-N 3.17Å; K649-D653 PolarHBondContact O-N 2.93Å
650	V	95.6	Very high	92.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-50.4	175.2	174.8	0	0	0	0	109.7	W622 F638 Q646 I647 K652 D653 L654 Y706	W622-V650 HydrophobicContact CH2-CG1 3.54Å; W622-V650 HydrophobicContact CZ2-CG1 3.63Å; W622-V650 HydrophobicContact CZ2-CG2 4.06Å; F638-V650 HydrophobicContact CB-CG2 4.13Å; F638-V650 HydrophobicContact CD1-CG2 4Å; F638-V650 HydrophobicContact CD2-CG2 3.72Å; F638-V650 HydrophobicContact CE1-CG2 4.31Å; F638-V650 HydrophobicContact CE2-CG2 4.03Å; F638-V650 HydrophobicContact CG-CG2 3.69Å; F638-V650 HydrophobicContact CZ-CG2 4.32Å; Q646-V650 WeakPolarHBondContact O-CG2 3.33Å; Q646-V650 PolarHBondContact O-N 3.2Å; Q646-V650 VanDerWaalsContact O-N 3.15Å; I647-V650 HydrophobicContact CD1-CB 4.45Å; I647-V650 WeakPolarHBondContact O-CB 3.4Å; I647-V650 PolarHBondContact O-N 2.8Å; I647-V650 VanDerWaalsContact O-N 3.08Å; V650-K652 VanDerWaalsContact C-N 3.34Å; V650-K652 PolarHBondContact O-N 2.95Å; V650-D653 PolarHBondContact O-N 3.27Å; V650-L654 HydrophobicContact CG1-CD1 3.8Å; V650-L654 HydrophobicContact CG1-CG 4.29Å; V650-L654 WeakPolarHBondContact O-CB 3.32Å; V650-L654 WeakPolarHBondContact O-CG 3.41Å; V650-L654 PolarHBondContact O-N 3.27Å; V650-Y706 HydrophobicContact CG1-CE1 4.1Å; V650-Y706 WeakPolarHBondContact CG1-OH 3.44Å
651	F	95	Very high	92.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-39	176.1	-60	-31.8	0	0	0	112.9	I647 D653 G655 P657 F676 Y679 Y706	I647-F651 HydrophobicContact CD1-CE1 3.91Å; I647-F651 HydrophobicContact CD1-CZ 3.99Å; I647-F651 HydrophobicContact CG1-CD1 4.37Å; I647-F651 HydrophobicContact CG1-CD2 4.22Å; I647-F651 HydrophobicContact CG1-CE1 3.77Å; I647-F651 HydrophobicContact CG1-CE2 3.63Å; I647-F651 HydrophobicContact CG1-CZ 3.39Å; I647-F651 HydrophobicContact CG2-CE2 4.39Å; I647-F651 WeakPolarHBondContact O-CG 3.38Å; I647-F651 PolarHBondContact O-N 3.37Å; F651-D653 VanDerWaalsContact C-N 3.33Å; F651-D653 PolarHBondContact O-N 3.42Å; F651-G655 CarbonylContact O-C 3.6Å; F651-G655 VanDerWaalsContact O-C 3.24Å; F651-G655 WeakPolarHBondContact O-CA 3.48Å; F651-G655 PolarHBondContact O-N 3.22Å; F651-P657 VanDerWaalsContact CD1-CD 3.43Å; F651-P657 HydrophobicContact CD1-CG 4.42Å; F651-P657 HydrophobicContact CE1-CG 3.77Å; F651-P657 HydrophobicContact CZ-CG 4.5Å; F651-F676 HydrophobicContact CD2-CB 4.26Å; F651-F676 HydrophobicContact CE2-CB 3.8Å; F651-F676 AromaticContact CE2-CD1 3.82Å; F651-F676 HydrophobicContact CE2-CD1 3.82Å; F651-F676 HydrophobicContact CE2-CD2 4.27Å; F651-F676 HydrophobicContact CE2-CE1 4.48Å; F651-F676 AromaticContact CE2-CG 3.7Å; F651-F676 HydrophobicContact CE2-CG 3.7Å; F651-Y679 HydrophobicContact CB-CD2 3.65Å; F651-Y679 HydrophobicContact CB-CE2 4.17Å; F651-Y679 WeakPolarHBondContact O-CB 3.46Å; F651-Y706 HydrophobicContact CD1-CE1 4.22Å; F651-Y706 WeakPolarHBondContact CD1-OH 3.43Å; F651-Y706 HydrophobicContact CE1-CE1 4.07Å
652	K	92.9	Very high	92.9	Very high	122 Å²	122	47 Å²	47	53%	0.53	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-35.1	178.8	-177.7	167.3	-177.9	165.7	0	113.8	N648 V650 Y679 N683	N648-K652 VanDerWaalsContact O-CB 3.27Å; N648-K652 WeakPolarHBondContact O-CB 3.5Å; N648-K652 PolarHBondContact O-N 3.48Å; V650-K652 VanDerWaalsContact C-N 3.34Å; V650-K652 PolarHBondContact O-N 2.95Å; K652-Y679 HydrophobicContact CB-CD1 4.34Å; K652-Y679 HydrophobicContact CB-CD2 4.48Å; K652-Y679 HydrophobicContact CB-CE1 4.17Å; K652-Y679 HydrophobicContact CB-CE2 4.27Å; K652-Y679 HydrophobicContact CD-CE1 4.45Å; K652-Y679 HydrophobicContact CG-CD1 4.37Å; K652-Y679 HydrophobicContact CG-CE1 4.14Å; K652-N683 PolarHBondContact O-ND2 2.94Å; K652-N683 VanDerWaalsContact O-ND2 3.07Å
653	D	92.2	Very high	93	Very high	33 Å²	33	47.2 Å²	47.2	18%	0.176	24%	0.241	C	C	.	.	H	α-helix	trans	-92.1	-27.6	-177.9	-91	41.1	0	0	0	113.1	F638 K649 V650 F651 N683 L684 R687	F638-D653 HydrophobicContact CD1-CB 4.48Å; F638-D653 HydrophobicContact CE1-CB 3.83Å; K649-D653 PolarHBondContact O-N 2.93Å; V650-D653 PolarHBondContact O-N 3.27Å; F651-D653 VanDerWaalsContact C-N 3.33Å; F651-D653 PolarHBondContact O-N 3.42Å; D653-N683 CarbonylContact O-C 3.56Å; D653-N683 WeakPolarHBondContact O-CA 3.37Å; D653-N683 PolarHBondContact O-N 2.64Å; D653-L684 PolarHBondContact O-N 3.09Å; D653-R687 WeakPolarHBondContact OD2-CD 3.11Å; D653-R687 IonicContact OD2-CZ 3.5Å; D653-R687 IonicContact OD2-NE 3.92Å; D653-R687 IonicContact OD2-NH1 2.94Å; D653-R687 PolarHBondContact OD2-NH1 3Å
654	L	93.9	Very high	93	Very high	13 Å²	13	44.6 Å²	44.6	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-107	-15.1	-177.9	-54.8	-168.8	0	0	0	115	W622 F638 V650 N682 L684 L704 Y706	W622-L654 HydrophobicContact CH2-CD1 3.52Å; W622-L654 HydrophobicContact CZ2-CD1 4.43Å; W622-L654 HydrophobicContact CZ3-CD1 4.14Å; F638-L654 HydrophobicContact CE1-CG 4.5Å; F638-L654 HydrophobicContact CZ-CD1 4.24Å; F638-L654 HydrophobicContact CZ-CD2 4.1Å; F638-L654 HydrophobicContact CZ-CG 4.12Å; V650-L654 HydrophobicContact CG1-CD1 3.8Å; V650-L654 HydrophobicContact CG1-CG 4.29Å; V650-L654 WeakPolarHBondContact O-CB 3.32Å; V650-L654 WeakPolarHBondContact O-CG 3.41Å; V650-L654 PolarHBondContact O-N 3.27Å; L654-N682 WeakPolarHBondContact O-CA 3.39Å; L654-N682 VanDerWaalsContact O-CB 3.27Å; L654-N682 WeakPolarHBondContact O-CB 3.39Å; L654-L684 HydrophobicContact CD2-CD1 3.41Å; L654-L684 VanDerWaalsContact CD2-CD1 3.41Å; L654-L684 HydrophobicContact CD2-CD2 3.68Å; L654-L684 HydrophobicContact CD2-CG 3.42Å; L654-L684 VanDerWaalsContact CD2-CG 3.42Å; L654-L704 HydrophobicContact CD1-CB 4.32Å; L654-L704 HydrophobicContact CD2-CD1 4.47Å; L654-Y706 HydrophobicContact CB-CE2 3.85Å; L654-Y706 WeakPolarHBondContact CB-OH 3.07Å; L654-Y706 HydrophobicContact CD1-CE2 4.05Å
655	G	93.6	Very high	93	Very high	7 Å²	7	41.3 Å²	41.3	7%	0.072	22%	0.215	C	C	.	.			trans	90	157.4	-162.8	0	0	0	0	0	112.4	F651 Y679 Y706	F651-G655 CarbonylContact O-C 3.6Å; F651-G655 VanDerWaalsContact O-C 3.24Å; F651-G655 WeakPolarHBondContact O-CA 3.48Å; F651-G655 PolarHBondContact O-N 3.22Å; G655-Y679 CarbonylContact C-O 3.55Å; G655-Y679 WeakPolarHBondContact CA-O 3.28Å; G655-Y706 PolarHBondContact O-OH 3.06Å
656	T	92.3	Very high	92.9	Very high	31 Å²	31	43.4 Å²	43.4	19%	0.19	23%	0.226	C	C	.	.			trans	-79.2	130.4	173.6	-56.2	0	0	0	0	109.3	S677 E678 Y679	T656-S677 PolarHBondContact OG1-O 3.44Å; T656-S677 VanDerWaalsContact OG1-O 3.13Å; T656-E678 WeakPolarHBondContact OG1-CA 3.45Å; T656-Y679 PolarHBondContact N-O 3.07Å; T656-Y679 PolarHBondContact OG1-N 3.41Å
657	P	92.6	Very high	92.7	Very high	6 Å²	6	50 Å²	50	4%	0.039	26%	0.257	C	S	.	.			trans	-71.4	155.6	178.7	31	-36.2	0	0	0	112	F651 I661 W662 Y665 Y706	F651-P657 VanDerWaalsContact CD1-CD 3.43Å; F651-P657 HydrophobicContact CD1-CG 4.42Å; F651-P657 HydrophobicContact CE1-CG 3.77Å; F651-P657 HydrophobicContact CZ-CG 4.5Å; P657-I661 HydrophobicContact CB-CG2 4.37Å; P657-W662 HydrophobicContact CB-CE3 4.41Å; P657-W662 HydrophobicContact CG-CE3 4.36Å; P657-Y665 HydrophobicContact CB-CD2 4.39Å; P657-Y665 HydrophobicContact CB-CE2 4.49Å; P657-Y665 HydrophobicContact CG-CD2 3.79Å; P657-Y665 HydrophobicContact CG-CE1 4.47Å; P657-Y665 HydrophobicContact CG-CE2 3.47Å; P657-Y665 VanDerWaalsContact CG-CE2 3.47Å; P657-Y665 HydrophobicContact CG-CG 4.42Å; P657-Y665 WeakPolarHBondContact O-CE1 3.39Å; P657-Y706 HydrophobicContact CB-CD1 4.11Å; P657-Y706 HydrophobicContact CB-CD2 3.99Å; P657-Y706 HydrophobicContact CB-CE1 4.44Å; P657-Y706 HydrophobicContact CB-CE2 4.31Å; P657-Y706 HydrophobicContact CB-CG 3.89Å; P657-Y706 HydrophobicContact CG-CD1 3.97Å; P657-Y706 HydrophobicContact CG-CE1 3.98Å; P657-Y706 HydrophobicContact CG-CG 4.27Å
658	S	90.1	Very high	92.5	Very high	57 Å²	57	50.7 Å²	50.7	40%	0.399	26%	0.261	S	S	.	.			trans	-132.6	170.4	173.5	65.3	0	0	0	0	109.9	K660 I661 W662	S658-K660 PolarHBondContact O-N 2.95Å; S658-K660 VanDerWaalsContact O-N 3.09Å; S658-I661 WeakPolarHBondContact O-CA 3.27Å; S658-I661 WeakPolarHBondContact O-CB 3.34Å; S658-I661 PolarHBondContact O-N 2.99Å; S658-W662 PolarHBondContact O-N 2.75Å
659	E	91.5	Very high	92.3	Very high	70 Å²	70	51.3 Å²	51.3	33%	0.327	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-33	179.2	-69.6	-60.5	146.9	0	0	114	I661 W662 P663 G664 Y665 N666	E659-I661 VanDerWaalsContact C-N 3.33Å; E659-I661 PolarHBondContact O-N 3.13Å; E659-W662 WeakPolarHBondContact CA-O 3.42Å; E659-W662 CarbonylContact O-C 3.44Å; E659-W662 VanDerWaalsContact O-C 3.28Å; E659-P663 WeakPolarHBondContact O-CA 3.41Å; E659-P663 VanDerWaalsContact O-N 3.16Å; E659-P663 WeakPolarHBondContact OE2-CA 3.12Å; E659-G664 PolarHBondContact OE2-N 3.28Å; E659-Y665 PolarHBondContact OE1-N 3.12Å; E659-Y665 VanDerWaalsContact OE1-N 3.1Å; E659-N666 WeakPolarHBondContact OE1-CB 3.39Å; E659-N666 VanDerWaalsContact OE1-CG 3.23Å; E659-N666 PolarHBondContact OE1-N 2.85Å; E659-N666 PolarHBondContact OE1-ND2 2.86Å
660	K	91.3	Very high	92	Very high	187 Å²	187	49.4 Å²	49.4	81%	0.813	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-36.3	175.8	-172.6	171.3	-177.6	172.8	0	112.5	S658 R710	S658-K660 PolarHBondContact O-N 2.95Å; S658-K660 VanDerWaalsContact O-N 3.09Å; K660-R710 PolarHBondContact O-NH1 2.69Å
661	I	91.3	Very high	91.7	Very high	80 Å²	80	50.7 Å²	50.7	41%	0.41	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-41.7	179.3	-61.6	171.8	0	0	0	110.2	P657 S658 E659 Y706 R710	P657-I661 HydrophobicContact CB-CG2 4.37Å; S658-I661 WeakPolarHBondContact O-CA 3.27Å; S658-I661 WeakPolarHBondContact O-CB 3.34Å; S658-I661 PolarHBondContact O-N 2.99Å; E659-I661 VanDerWaalsContact C-N 3.33Å; E659-I661 PolarHBondContact O-N 3.13Å; I661-Y706 HydrophobicContact CG2-CD2 4.14Å; I661-R710 PolarHBondContact O-NH1 2.97Å
662	W	94.1	Very high	91.4	Very high	11 Å²	11	57.3 Å²	57.3	4%	0.042	30%	0.299	C	S	.	.	S	Bend	trans	-139.8	95.9	-176.7	-177.7	-11.5	0	0	0	110.3	P606 E607 L610 P657 S658 E659 G664 Y665 L668 Y706 F707	P606-W662 HydrophobicContact CB-CH2 4.34Å; P606-W662 HydrophobicContact CB-CZ3 4.06Å; P606-W662 HydrophobicContact CG-CH2 4.46Å; P606-W662 HydrophobicContact CG-CZ3 4.22Å; E607-W662 HydrophobicContact CB-CH2 3.9Å; E607-W662 HydrophobicContact CB-CZ2 3.91Å; L610-W662 HydrophobicContact CD1-CH2 3.92Å; L610-W662 HydrophobicContact CD1-CZ3 3.78Å; P657-W662 HydrophobicContact CB-CE3 4.41Å; P657-W662 HydrophobicContact CG-CE3 4.36Å; S658-W662 PolarHBondContact O-N 2.75Å; E659-W662 WeakPolarHBondContact CA-O 3.42Å; E659-W662 CarbonylContact O-C 3.44Å; E659-W662 VanDerWaalsContact O-C 3.28Å; W662-G664 PolarHBondContact O-N 3.24Å; W662-Y665 HydrophobicContact CD2-CD2 4.28Å; W662-Y665 AromaticContact CE3-CD2 3.88Å; W662-Y665 HydrophobicContact CE3-CD2 3.88Å; W662-Y665 HydrophobicContact CZ3-CD2 4.27Å; W662-Y665 WeakPolarHBondContact O-CB 3.45Å; W662-Y665 PolarHBondContact O-N 2.89Å; W662-Y665 VanDerWaalsContact O-N 3.11Å; W662-L668 HydrophobicContact CD2-CD1 4.49Å; W662-L668 HydrophobicContact CH2-CD1 3.64Å; W662-L668 HydrophobicContact CZ2-CD1 3.5Å; W662-L668 HydrophobicContact CZ2-CD2 4.23Å; W662-L668 HydrophobicContact CZ2-CG 4.46Å; W662-L668 HydrophobicContact CZ3-CD1 4.17Å; W662-Y706 AromaticContact CE3-CD1 3.98Å; W662-Y706 HydrophobicContact CE3-CD1 3.98Å; W662-Y706 HydrophobicContact CE3-CG 4.31Å; W662-Y706 AromaticContact CZ3-CD1 3.98Å; W662-Y706 HydrophobicContact CZ3-CD1 3.98Å; W662-F707 HydrophobicContact CB-CB 4.18Å; W662-F707 AromaticContact CD1-CD2 3.43Å; W662-F707 VanDerWaalsContact CD1-CD2 3.43Å; W662-F707 HydrophobicContact CG-CB 4.15Å; W662-F707 HydrophobicContact CG-CD2 4.17Å; W662-F707 AromaticContact NE1-CD2 3.77Å
663	P	93.8	Very high	91.1	Very high	62 Å²	62	59.7 Å²	59.7	40%	0.403	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	129.6	173.4	-24	35	0	0	0	111.6	E659	E659-P663 WeakPolarHBondContact O-CA 3.41Å; E659-P663 VanDerWaalsContact O-N 3.16Å; E659-P663 WeakPolarHBondContact OE2-CA 3.12Å
664	G	90.4	Very high	90.9	Very high	23 Å²	23	62.7 Å²	62.7	24%	0.237	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	15.3	-172.9	0	0	0	0	0	114.4	E659 W662 E667	E659-G664 PolarHBondContact OE2-N 3.28Å; W662-G664 PolarHBondContact O-N 3.24Å; G664-E667 WeakPolarHBondContact O-CB 3.13Å; G664-E667 PolarHBondContact O-N 2.88Å; G664-E667 VanDerWaalsContact O-N 3.13Å
665	Y	92.1	Very high	90.4	Very high	13 Å²	13	69.2 Å²	69.2	5%	0.051	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-62	-46.7	177.5	169.3	-106	0	0	0	112.2	L610 P657 E659 W662 E667 L668 V671	L610-Y665 HydrophobicContact CD1-CD2 4.25Å; L610-Y665 HydrophobicContact CD1-CE2 3.73Å; P657-Y665 HydrophobicContact CB-CD2 4.39Å; P657-Y665 HydrophobicContact CB-CE2 4.49Å; P657-Y665 HydrophobicContact CG-CD2 3.79Å; P657-Y665 HydrophobicContact CG-CE1 4.47Å; P657-Y665 HydrophobicContact CG-CE2 3.47Å; P657-Y665 VanDerWaalsContact CG-CE2 3.47Å; P657-Y665 HydrophobicContact CG-CG 4.42Å; P657-Y665 WeakPolarHBondContact O-CE1 3.39Å; E659-Y665 PolarHBondContact OE1-N 3.12Å; E659-Y665 VanDerWaalsContact OE1-N 3.1Å; W662-Y665 HydrophobicContact CD2-CD2 4.28Å; W662-Y665 AromaticContact CE3-CD2 3.88Å; W662-Y665 HydrophobicContact CE3-CD2 3.88Å; W662-Y665 HydrophobicContact CZ3-CD2 4.27Å; W662-Y665 WeakPolarHBondContact O-CB 3.45Å; W662-Y665 PolarHBondContact O-N 2.89Å; W662-Y665 VanDerWaalsContact O-N 3.11Å; Y665-E667 PolarHBondContact O-N 3.35Å; Y665-E667 VanDerWaalsContact O-N 3.13Å; Y665-L668 HydrophobicContact CD2-CD1 3.84Å; Y665-L668 HydrophobicContact CE2-CD1 4.44Å; Y665-L668 WeakPolarHBondContact O-CB 3.42Å; Y665-L668 WeakPolarHBondContact O-CD1 3.42Å; Y665-L668 VanDerWaalsContact O-CG 3.29Å; Y665-L668 WeakPolarHBondContact O-CG 3.46Å; Y665-L668 PolarHBondContact O-N 3.28Å; Y665-L668 VanDerWaalsContact O-N 3.15Å; Y665-V671 HydrophobicContact CD1-CG1 4.37Å; Y665-V671 HydrophobicContact CD2-CG2 4.14Å; Y665-V671 HydrophobicContact CE1-CG1 3.9Å; Y665-V671 HydrophobicContact CE1-CG2 4.24Å; Y665-V671 HydrophobicContact CE2-CG2 3.59Å
666	N	91.1	Very high	90	Very high	92 Å²	92	70.3 Å²	70.3	49%	0.492	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-64.7	-14.1	175.5	-66.5	-26.6	0	0	0	112.2	E659 L668 K672	E659-N666 WeakPolarHBondContact OE1-CB 3.39Å; E659-N666 VanDerWaalsContact OE1-CG 3.23Å; E659-N666 PolarHBondContact OE1-N 2.85Å; E659-N666 PolarHBondContact OE1-ND2 2.86Å; N666-L668 VanDerWaalsContact C-N 3.35Å; N666-K672 WeakPolarHBondContact O-CE 3.23Å; N666-K672 VanDerWaalsContact O-CG 3.28Å; N666-K672 WeakPolarHBondContact O-CG 3.36Å
667	E	90.1	Very high	89.8	Confident	138 Å²	138	71.8 Å²	71.8	65%	0.645	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-79.2	-18.6	176.6	-61.7	-162.7	173.3	0	0	114.1	G664 Y665 K672	G664-E667 WeakPolarHBondContact O-CB 3.13Å; G664-E667 PolarHBondContact O-N 2.88Å; G664-E667 VanDerWaalsContact O-N 3.13Å; Y665-E667 PolarHBondContact O-N 3.35Å; Y665-E667 VanDerWaalsContact O-N 3.13Å; E667-K672 VanDerWaalsContact CA-NZ 3.3Å; E667-K672 WeakPolarHBondContact O-CD 3.38Å; E667-K672 WeakPolarHBondContact O-CE 3.44Å; E667-K672 PolarHBondContact O-NZ 3.4Å
668	L	89.8	Confident	89.5	Confident	18 Å²	18	79.7 Å²	79.7	9%	0.094	42%	0.415	C	S	.	.	S	Bend	trans	-66.6	141.1	-168.5	-65.1	168.4	0	0	0	112.8	L610 A612 W662 Y665 N666 A670 V671 K672	L610-L668 HydrophobicContact CB-CB 4.25Å; L610-L668 HydrophobicContact CB-CD1 3.9Å; L610-L668 HydrophobicContact CD1-CD1 3.73Å; L610-L668 HydrophobicContact CG-CD1 4.46Å; A612-L668 HydrophobicContact CB-CD2 4.29Å; W662-L668 HydrophobicContact CD2-CD1 4.49Å; W662-L668 HydrophobicContact CH2-CD1 3.64Å; W662-L668 HydrophobicContact CZ2-CD1 3.5Å; W662-L668 HydrophobicContact CZ2-CD2 4.23Å; W662-L668 HydrophobicContact CZ2-CG 4.46Å; W662-L668 HydrophobicContact CZ3-CD1 4.17Å; Y665-L668 HydrophobicContact CD2-CD1 3.84Å; Y665-L668 HydrophobicContact CE2-CD1 4.44Å; Y665-L668 WeakPolarHBondContact O-CB 3.42Å; Y665-L668 WeakPolarHBondContact O-CD1 3.42Å; Y665-L668 VanDerWaalsContact O-CG 3.29Å; Y665-L668 WeakPolarHBondContact O-CG 3.46Å; Y665-L668 PolarHBondContact O-N 3.28Å; Y665-L668 VanDerWaalsContact O-N 3.15Å; N666-L668 VanDerWaalsContact C-N 3.35Å; L668-A670 VanDerWaalsContact C-N 3.27Å; L668-A670 PolarHBondContact O-N 3Å; L668-A670 VanDerWaalsContact O-N 3.11Å; L668-V671 HydrophobicContact CB-CB 4.34Å; L668-V671 HydrophobicContact CB-CG2 3.93Å; L668-V671 HydrophobicContact CD1-CG2 4.35Å; L668-V671 PolarHBondContact O-N 3.4Å; L668-V671 VanDerWaalsContact O-N 3.09Å; L668-K672 PolarHBondContact O-N 2.97Å; L668-K672 VanDerWaalsContact O-N 3.08Å
669	P	90.1	Very high	89.5	Confident	55 Å²	55	80.2 Å²	80.2	36%	0.357	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.3	-173.1	-29.2	38.2	0	0	0	116.7	G611 K673	G611-P669 WeakPolarHBondContact O-CG 3.21Å; P669-K673 VanDerWaalsContact O-CD 3.29Å; P669-K673 WeakPolarHBondContact O-CD 3.46Å; P669-K673 VanDerWaalsContact O-CG 3.28Å; P669-K673 WeakPolarHBondContact O-CG 3.19Å
670	A	88.1	Confident	89	Confident	19 Å²	19	82 Å²	82	16%	0.157	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-42.2	172.9	0	0	0	0	0	112.3	L610 L668 K672 K673 M674 F676	L610-A670 HydrophobicContact CB-CB 4.28Å; L610-A670 HydrophobicContact CD2-CB 3.96Å; L610-A670 VanDerWaalsContact O-CB 3.31Å; L610-A670 WeakPolarHBondContact O-CB 3.2Å; L610-A670 PolarHBondContact O-N 2.89Å; L668-A670 VanDerWaalsContact C-N 3.27Å; L668-A670 PolarHBondContact O-N 3Å; L668-A670 VanDerWaalsContact O-N 3.11Å; A670-K672 VanDerWaalsContact C-N 3.32Å; A670-K672 PolarHBondContact O-N 3.02Å; A670-K673 CarbonylContact O-C 3.51Å; A670-K673 PolarHBondContact O-N 2.91Å; A670-M674 PolarHBondContact O-N 2.99Å; A670-F676 HydrophobicContact CB-CZ 4.32Å
671	V	88.9	Confident	88.6	Confident	28 Å²	28	81.7 Å²	81.7	17%	0.17	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-62.6	-40.6	-178.9	-175.6	0	0	0	0	110.6	L610 Y665 L668 K673 F676	L610-V671 HydrophobicContact CD1-CG2 4.37Å; L610-V671 HydrophobicContact CD2-CG2 4.01Å; Y665-V671 HydrophobicContact CD1-CG1 4.37Å; Y665-V671 HydrophobicContact CD2-CG2 4.14Å; Y665-V671 HydrophobicContact CE1-CG1 3.9Å; Y665-V671 HydrophobicContact CE1-CG2 4.24Å; Y665-V671 HydrophobicContact CE2-CG2 3.59Å; L668-V671 HydrophobicContact CB-CB 4.34Å; L668-V671 HydrophobicContact CB-CG2 3.93Å; L668-V671 HydrophobicContact CD1-CG2 4.35Å; L668-V671 PolarHBondContact O-N 3.4Å; L668-V671 VanDerWaalsContact O-N 3.09Å; V671-K673 PolarHBondContact O-N 3.17Å; V671-K673 VanDerWaalsContact O-N 3.08Å; V671-F676 HydrophobicContact CG2-CE2 4.34Å
672	K	88.9	Confident	88.5	Confident	139 Å²	139	81.4 Å²	81.4	60%	0.604	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-65.5	-4.2	172.2	-72.9	-180	169.1	149.5	0	115.5	N666 E667 L668 A670	N666-K672 WeakPolarHBondContact O-CE 3.23Å; N666-K672 VanDerWaalsContact O-CG 3.28Å; N666-K672 WeakPolarHBondContact O-CG 3.36Å; E667-K672 VanDerWaalsContact CA-NZ 3.3Å; E667-K672 WeakPolarHBondContact O-CD 3.38Å; E667-K672 WeakPolarHBondContact O-CE 3.44Å; E667-K672 PolarHBondContact O-NZ 3.4Å; L668-K672 PolarHBondContact O-N 2.97Å; L668-K672 VanDerWaalsContact O-N 3.08Å; A670-K672 VanDerWaalsContact C-N 3.32Å; A670-K672 PolarHBondContact O-N 3.02Å
673	K	87.8	Confident	88.2	Confident	172 Å²	172	83.8 Å²	83.8	75%	0.748	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-131.4	-12.6	-172.1	-66.6	-174.5	-175	-174.7	0	114.9	P669 A670 V671	P669-K673 VanDerWaalsContact O-CD 3.29Å; P669-K673 WeakPolarHBondContact O-CD 3.46Å; P669-K673 VanDerWaalsContact O-CG 3.28Å; P669-K673 WeakPolarHBondContact O-CG 3.19Å; A670-K673 CarbonylContact O-C 3.51Å; A670-K673 PolarHBondContact O-N 2.91Å; V671-K673 PolarHBondContact O-N 3.17Å; V671-K673 VanDerWaalsContact O-N 3.08Å
674	M	86.4	Confident	87.9	Confident	95 Å²	95	80.9 Å²	80.9	47%	0.468	42%	0.415	S	S	.	.			trans	-145.7	124.7	-173	-64.5	-176.8	177.5	0	0	109.7	I644 A670 F676	I644-M674 HydrophobicContact CD1-CE 4.15Å; I644-M674 HydrophobicContact CD1-SD 3.87Å; I644-M674 HydrophobicContact CG1-SD 4.26Å; A670-M674 PolarHBondContact O-N 2.99Å; M674-F676 HydrophobicContact CB-CE2 4.21Å; M674-F676 HydrophobicContact CB-CZ 4.12Å; M674-F676 WeakPolarHBondContact O-CD2 3.35Å; M674-F676 WeakPolarHBondContact O-CE2 3.45Å
675	T	84.3	Confident	87.9	Confident	150 Å²	150	85.8 Å²	85.8	92%	0.92	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-72.9	127.3	167.5	-42.1	0	0	0	0	109.1
676	F	86	Confident	87.7	Confident	31 Å²	31	94 Å²	94	14%	0.136	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-100.7	157.9	174.4	-65.4	-79.1	0	0	0	110.6	L610 I647 F651 A670 V671 M674	L610-F676 HydrophobicContact CD2-CE2 3.88Å; L610-F676 HydrophobicContact CD2-CZ 3.8Å; I647-F676 HydrophobicContact CG2-CD1 4.12Å; I647-F676 HydrophobicContact CG2-CE1 3.6Å; I647-F676 HydrophobicContact CG2-CZ 4.39Å; F651-F676 HydrophobicContact CD2-CB 4.26Å; F651-F676 HydrophobicContact CE2-CB 3.8Å; F651-F676 AromaticContact CE2-CD1 3.82Å; F651-F676 HydrophobicContact CE2-CD1 3.82Å; F651-F676 HydrophobicContact CE2-CD2 4.27Å; F651-F676 HydrophobicContact CE2-CE1 4.48Å; F651-F676 AromaticContact CE2-CG 3.7Å; F651-F676 HydrophobicContact CE2-CG 3.7Å; A670-F676 HydrophobicContact CB-CZ 4.32Å; V671-F676 HydrophobicContact CG2-CE2 4.34Å; M674-F676 HydrophobicContact CB-CE2 4.21Å; M674-F676 HydrophobicContact CB-CZ 4.12Å; M674-F676 WeakPolarHBondContact O-CD2 3.35Å; M674-F676 WeakPolarHBondContact O-CE2 3.45Å
677	S	87.4	Confident	87.6	Confident	62 Å²	62	93.7 Å²	93.7	43%	0.434	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-72.2	136	171.3	-57.1	0	0	0	0	110.5	T656 Y679	T656-S677 PolarHBondContact OG1-O 3.44Å; T656-S677 VanDerWaalsContact OG1-O 3.13Å; S677-Y679 WeakPolarHBondContact O-CD2 3.18Å
678	E	86.9	Confident	87.7	Confident	172 Å²	172	87.1 Å²	87.1	80%	0.804	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-83.4	136.1	176.2	-64.9	-170.5	170.4	0	0	111.9	T656	T656-E678 WeakPolarHBondContact OG1-CA 3.45Å
679	Y	89.6	Confident	87.5	Confident	68 Å²	68	88.3 Å²	88.3	27%	0.267	44%	0.441	S	S	.	.			trans	-130.5	105.4	175.6	-63.4	-77.9	0	0	0	107.9	F651 K652 G655 T656 S677 Y681	F651-Y679 HydrophobicContact CB-CD2 3.65Å; F651-Y679 HydrophobicContact CB-CE2 4.17Å; F651-Y679 WeakPolarHBondContact O-CB 3.46Å; K652-Y679 HydrophobicContact CB-CD1 4.34Å; K652-Y679 HydrophobicContact CB-CD2 4.48Å; K652-Y679 HydrophobicContact CB-CE1 4.17Å; K652-Y679 HydrophobicContact CB-CE2 4.27Å; K652-Y679 HydrophobicContact CD-CE1 4.45Å; K652-Y679 HydrophobicContact CG-CD1 4.37Å; K652-Y679 HydrophobicContact CG-CE1 4.14Å; G655-Y679 CarbonylContact C-O 3.55Å; G655-Y679 WeakPolarHBondContact CA-O 3.28Å; T656-Y679 PolarHBondContact N-O 3.07Å; T656-Y679 PolarHBondContact OG1-N 3.41Å; S677-Y679 WeakPolarHBondContact O-CD2 3.18Å; Y679-Y681 VanDerWaalsContact C-N 3.3Å; Y679-Y681 PolarHBondContact O-N 2.93Å
680	P	81.5	Confident	87.4	Confident	108 Å²	108	90.7 Å²	90.7	70%	0.701	46%	0.464	S	S	*	.			trans	-76	-8.8	-169.1	25.4	-33.4	0	0	0	115.5
681	Y	83.2	Confident	87.4	Confident	180 Å²	180	93.6 Å²	93.6	71%	0.706	48%	0.477	S	S	*	.	S	Bend	trans	-132.4	136.9	-169.6	-54.2	-58.3	0	0	0	113.8	Y679 N683	Y679-Y681 VanDerWaalsContact C-N 3.3Å; Y679-Y681 PolarHBondContact O-N 2.93Å; Y681-N683 PolarHBondContact O-N 3.07Å; Y681-N683 PolarHBondContact O-ND2 3.45Å
682	N	87.7	Confident	87.6	Confident	74 Å²	74	93.1 Å²	93.1	40%	0.396	47%	0.474	S	S	.	.			trans	-73.4	116.9	169.5	-177.7	-21.7	0	0	0	110.3	L654 L684 N701	L654-N682 WeakPolarHBondContact O-CA 3.39Å; L654-N682 VanDerWaalsContact O-CB 3.27Å; L654-N682 WeakPolarHBondContact O-CB 3.39Å; N682-L684 VanDerWaalsContact OD1-CB 3.28Å; N682-L684 WeakPolarHBondContact OD1-CB 3.27Å; N682-L684 WeakPolarHBondContact OD1-CG 3.32Å; N682-L684 PolarHBondContact OD1-N 3.36Å; N682-N701 PolarHBondContact ND2-OD1 3.17Å
683	N	88.2	Confident	87.9	Confident	61 Å²	61	88.5 Å²	88.5	33%	0.326	46%	0.459	S	S	.	.			trans	-94.6	-1	-177.6	-74.6	-75.5	0	0	0	113.6	K652 D653 Y681 R685 K686 R687	K652-N683 PolarHBondContact O-ND2 2.94Å; K652-N683 VanDerWaalsContact O-ND2 3.07Å; D653-N683 CarbonylContact O-C 3.56Å; D653-N683 WeakPolarHBondContact O-CA 3.37Å; D653-N683 PolarHBondContact O-N 2.64Å; Y681-N683 PolarHBondContact O-N 3.07Å; Y681-N683 PolarHBondContact O-ND2 3.45Å; N683-R685 VanDerWaalsContact C-N 3.3Å; N683-R685 PolarHBondContact O-N 3.34Å; N683-K686 WeakPolarHBondContact O-CB 3.37Å; N683-K686 PolarHBondContact O-N 3.05Å; N683-K686 VanDerWaalsContact O-N 3.09Å; N683-R687 PolarHBondContact O-N 3.2Å; N683-R687 VanDerWaalsContact O-N 3.15Å
684	L	87.8	Confident	88.2	Confident	0 Å²	0	85.2 Å²	85.2	0%	0	45%	0.449	C	S	.	.	H	α-helix	trans	-56.9	-40.6	-179.2	-69.3	-177.8	0	0	0	112.5	D653 L654 N682 K686 R687 F688 F697 M700 L704	D653-L684 PolarHBondContact O-N 3.09Å; L654-L684 HydrophobicContact CD2-CD1 3.41Å; L654-L684 VanDerWaalsContact CD2-CD1 3.41Å; L654-L684 HydrophobicContact CD2-CD2 3.68Å; L654-L684 HydrophobicContact CD2-CG 3.42Å; L654-L684 VanDerWaalsContact CD2-CG 3.42Å; N682-L684 VanDerWaalsContact OD1-CB 3.28Å; N682-L684 WeakPolarHBondContact OD1-CB 3.27Å; N682-L684 WeakPolarHBondContact OD1-CG 3.32Å; N682-L684 PolarHBondContact OD1-N 3.36Å; L684-K686 PolarHBondContact O-N 3.05Å; L684-R687 CarbonylContact O-C 3.5Å; L684-R687 WeakPolarHBondContact O-CA 3.47Å; L684-R687 PolarHBondContact O-N 3.36Å; L684-F688 HydrophobicContact CD2-CD2 4.13Å; L684-F688 HydrophobicContact CD2-CE2 3.97Å; L684-F688 PolarHBondContact O-N 2.99Å; L684-F697 HydrophobicContact CB-CE2 3.62Å; L684-F697 HydrophobicContact CB-CZ 4.22Å; L684-M700 HydrophobicContact CD1-CG 4.32Å; L684-M700 HydrophobicContact CD1-SD 4.48Å; L684-L704 HydrophobicContact CD1-CD1 3.88Å; L684-L704 HydrophobicContact CD2-CD1 4.45Å
685	R	89.4	Confident	88.7	Confident	127 Å²	127	83.5 Å²	83.5	48%	0.479	44%	0.44	S	S	.	.	H	α-helix	trans	-62.4	-34.8	-179.4	-170.4	171.7	-83	-89.9	8.4	111.4	N683 R687 G689 D694 F697	N683-R685 VanDerWaalsContact C-N 3.3Å; N683-R685 PolarHBondContact O-N 3.34Å; R685-R687 VanDerWaalsContact C-N 3.34Å; R685-G689 VanDerWaalsContact O-CA 3.32Å; R685-G689 WeakPolarHBondContact O-CA 3.39Å; R685-G689 PolarHBondContact O-N 3.23Å; R685-D694 IonicContact CZ-OD1 3.79Å; R685-D694 IonicContact NH1-OD1 2.7Å; R685-D694 PolarHBondContact NH1-OD1 3.14Å; R685-D694 IonicContact NH2-OD1 3.75Å; R685-D694 PolarHBondContact NH2-OD1 3.38Å; R685-F697 VanDerWaalsContact CA-CE2 3.5Å; R685-F697 HydrophobicContact CB-CE1 4.19Å; R685-F697 HydrophobicContact CB-CE2 3.79Å; R685-F697 HydrophobicContact CB-CZ 3.59Å; R685-F697 HydrophobicContact CG-CZ 4.39Å; R685-F697 VanDerWaalsContact N-CE2 3.3Å
686	K	88.9	Confident	89.2	Confident	185 Å²	185	76.4 Å²	76.4	80%	0.804	40%	0.396	S	S	*	.	H	α-helix	trans	-71.1	-26.2	173.8	-173.7	174	-178.2	171.6	0	113.1	N683 L684	N683-K686 WeakPolarHBondContact O-CB 3.37Å; N683-K686 PolarHBondContact O-N 3.05Å; N683-K686 VanDerWaalsContact O-N 3.09Å; L684-K686 PolarHBondContact O-N 3.05Å
687	R	88.6	Confident	89.6	Confident	85 Å²	85	76 Å²	76	32%	0.321	40%	0.395	S	S	.	.	H	α-helix	trans	-88.8	-29.7	178.7	-174.1	172.6	171.8	173.8	-4	113.6	L637 D653 N683 L684 R685	L637-R687 PolarHBondContact O-NH1 3.29Å; L637-R687 PolarHBondContact O-NH2 2.96Å; L637-R687 VanDerWaalsContact O-NH2 3.15Å; D653-R687 WeakPolarHBondContact OD2-CD 3.11Å; D653-R687 IonicContact OD2-CZ 3.5Å; D653-R687 IonicContact OD2-NE 3.92Å; D653-R687 IonicContact OD2-NH1 2.94Å; D653-R687 PolarHBondContact OD2-NH1 3Å; N683-R687 PolarHBondContact O-N 3.2Å; N683-R687 VanDerWaalsContact O-N 3.15Å; L684-R687 CarbonylContact O-C 3.5Å; L684-R687 WeakPolarHBondContact O-CA 3.47Å; L684-R687 PolarHBondContact O-N 3.36Å; R685-R687 VanDerWaalsContact C-N 3.34Å
688	F	91.4	Very high	90.1	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-124.8	-10	-170.8	-69.5	-81.9	0	0	0	115.8	L632 T633 L637 L684 A690 L691 L692 M700	L632-F688 HydrophobicContact CB-CE1 4.26Å; L632-F688 HydrophobicContact CD1-CD1 4.06Å; L632-F688 HydrophobicContact CD1-CE1 4.14Å; T633-F688 HydrophobicContact CG2-CD1 4.31Å; T633-F688 HydrophobicContact CG2-CE1 3.57Å; T633-F688 HydrophobicContact CG2-CZ 4.15Å; L637-F688 HydrophobicContact CD1-CE2 3.71Å; L637-F688 HydrophobicContact CD1-CZ 3.65Å; L684-F688 HydrophobicContact CD2-CD2 4.13Å; L684-F688 HydrophobicContact CD2-CE2 3.97Å; L684-F688 PolarHBondContact O-N 2.99Å; F688-A690 PolarHBondContact O-N 2.78Å; F688-L691 HydrophobicContact CD1-CD1 4.3Å; F688-L691 WeakPolarHBondContact O-CA 2.98Å; F688-L691 PolarHBondContact O-N 3.02Å; F688-L692 HydrophobicContact CB-CD1 4.14Å; F688-L692 HydrophobicContact CD1-CD1 4.48Å; F688-L692 PolarHBondContact O-N 3.3Å; F688-M700 HydrophobicContact CD1-CE 3.96Å; F688-M700 HydrophobicContact CD1-SD 4.22Å; F688-M700 HydrophobicContact CD2-CE 4.43Å; F688-M700 HydrophobicContact CD2-SD 3.67Å; F688-M700 HydrophobicContact CE1-CE 3.91Å; F688-M700 HydrophobicContact CE1-SD 4.38Å; F688-M700 HydrophobicContact CE2-CE 4.39Å; F688-M700 HydrophobicContact CE2-SD 3.86Å; F688-M700 HydrophobicContact CG-CE 4.23Å; F688-M700 HydrophobicContact CG-SD 3.88Å; F688-M700 HydrophobicContact CZ-CE 4.15Å; F688-M700 HydrophobicContact CZ-SD 4.22Å
689	G	85.6	Confident	90.6	Very high	44 Å²	44	67.3 Å²	67.3	45%	0.454	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-5.8	-175.8	0	0	0	0	0	116.2	R685	R685-G689 VanDerWaalsContact O-CA 3.32Å; R685-G689 WeakPolarHBondContact O-CA 3.39Å; R685-G689 PolarHBondContact O-N 3.23Å
690	A	88.1	Confident	90.9	Very high	104 Å²	104	64.1 Å²	64.1	86%	0.86	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	1.5	169.5	0	0	0	0	0	113.3	F688	F688-A690 PolarHBondContact O-N 2.78Å
691	L	89.2	Confident	91.6	Very high	81 Å²	81	60.7 Å²	60.7	42%	0.424	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-18.1	-177.4	-60	176.7	0	0	0	112.9	T633 F688	T633-L691 HydrophobicContact CG2-CD1 3.77Å; F688-L691 HydrophobicContact CD1-CD1 4.3Å; F688-L691 WeakPolarHBondContact O-CA 2.98Å; F688-L691 PolarHBondContact O-N 3.02Å
692	L	92.8	Very high	92.3	Very high	18 Å²	18	55.9 Å²	55.9	9%	0.094	30%	0.295	C	S	.	.			trans	-132.2	145.1	-177.7	-67.5	176.9	0	0	0	110.8	F628 L632 F688 M700 Y722	F628-L692 HydrophobicContact CE1-CD1 4.42Å; F628-L692 HydrophobicContact CE2-CD2 4.34Å; F628-L692 HydrophobicContact CZ-CD1 4.32Å; F628-L692 HydrophobicContact CZ-CD2 3.86Å; L632-L692 HydrophobicContact CD1-CD1 3.8Å; L632-L692 HydrophobicContact CD1-CD2 3.77Å; L632-L692 HydrophobicContact CD1-CG 3.92Å; L632-L692 HydrophobicContact CD2-CD2 3.88Å; F688-L692 HydrophobicContact CB-CD1 4.14Å; F688-L692 HydrophobicContact CD1-CD1 4.48Å; F688-L692 PolarHBondContact O-N 3.3Å; L692-M700 HydrophobicContact CD1-CB 4.48Å; L692-M700 HydrophobicContact CD1-CE 3.77Å; L692-M700 HydrophobicContact CD1-SD 4.23Å; L692-Y722 HydrophobicContact CD2-CE2 4.07Å; L692-Y722 WeakPolarHBondContact CD2-OH 3.48Å
693	S	94.4	Very high	92.8	Very high	42 Å²	42	52.4 Å²	52.4	29%	0.294	28%	0.276	S	S	.	.			trans	-67.4	170.5	159.6	58.9	0	0	0	0	111.4	Q695 G696 F697 E725	S693-Q695 PolarHBondContact O-N 3.43Å; S693-G696 PolarHBondContact O-N 2.92Å; S693-G696 VanDerWaalsContact O-N 3.16Å; S693-G696 PolarHBondContact OG-N 2.98Å; S693-F697 WeakPolarHBondContact O-CB 3.41Å; S693-F697 PolarHBondContact O-N 2.99Å; S693-E725 WeakPolarHBondContact CB-OE2 3.41Å; S693-E725 VanDerWaalsContact OG-CD 3.24Å; S693-E725 PolarHBondContact OG-OE1 2.95Å; S693-E725 PolarHBondContact OG-OE2 2.92Å
694	D	94.9	Very high	93.2	Very high	102 Å²	102	49.8 Å²	49.8	55%	0.545	26%	0.262	S	S	.	.	H	α-helix	trans	-58.7	-34.9	172.8	-68.6	-72.3	0	0	0	113.2	R685 F697 D698	R685-D694 IonicContact CZ-OD1 3.79Å; R685-D694 IonicContact NH1-OD1 2.7Å; R685-D694 PolarHBondContact NH1-OD1 3.14Å; R685-D694 IonicContact NH2-OD1 3.75Å; R685-D694 PolarHBondContact NH2-OD1 3.38Å; D694-F697 PolarHBondContact O-N 3.49Å; D694-D698 WeakPolarHBondContact O-CB 3.49Å; D694-D698 PolarHBondContact O-N 2.93Å
695	Q	96.2	Very high	93.6	Very high	60 Å²	60	51.7 Å²	51.7	28%	0.28	27%	0.274	S	S	.	.	H	α-helix	trans	-66.3	-42	174.4	-71.4	-72.3	0.9	0	0	112.4	S693 F697 L699 H720 E721 E725	S693-Q695 PolarHBondContact O-N 3.43Å; Q695-F697 VanDerWaalsContact C-N 3.34Å; Q695-L699 PolarHBondContact O-N 3.13Å; Q695-H720 VanDerWaalsContact CA-CE1 3.49Å; Q695-H720 WeakPolarHBondContact CA-CE1 3.42Å; Q695-H720 PolarHBondContact O-CE1 3.32Å; Q695-H720 PolarHBondContact OE1-CE1 2.97Å; Q695-E721 PolarHBondContact NE2-OE2 2.9Å; Q695-E725 HydrophobicContact CB-CG 4.36Å
696	G	95.6	Very high	93.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-36.3	174.2	0	0	0	0	0	112.6	S693 M700 Y722	S693-G696 PolarHBondContact O-N 2.92Å; S693-G696 VanDerWaalsContact O-N 3.16Å; S693-G696 PolarHBondContact OG-N 2.98Å; G696-M700 WeakPolarHBondContact O-CB 3.45Å; G696-M700 PolarHBondContact O-N 3.42Å; G696-Y722 VanDerWaalsContact CA-CE2 3.49Å; G696-Y722 VanDerWaalsContact N-CD2 3.34Å
697	F	95.2	Very high	94.2	Very high	23 Å²	23	40.2 Å²	40.2	10%	0.101	23%	0.227	C	C	.	.	H	α-helix	trans	-67.4	-44.6	175.4	-176.6	-107.9	0	0	0	112	L684 R685 S693 D694 Q695 M700 N701	L684-F697 HydrophobicContact CB-CE2 3.62Å; L684-F697 HydrophobicContact CB-CZ 4.22Å; R685-F697 VanDerWaalsContact CA-CE2 3.5Å; R685-F697 HydrophobicContact CB-CE1 4.19Å; R685-F697 HydrophobicContact CB-CE2 3.79Å; R685-F697 HydrophobicContact CB-CZ 3.59Å; R685-F697 HydrophobicContact CG-CZ 4.39Å; R685-F697 VanDerWaalsContact N-CE2 3.3Å; S693-F697 WeakPolarHBondContact O-CB 3.41Å; S693-F697 PolarHBondContact O-N 2.99Å; D694-F697 PolarHBondContact O-N 3.49Å; Q695-F697 VanDerWaalsContact C-N 3.34Å; F697-M700 WeakPolarHBondContact O-CB 3.22Å; F697-M700 PolarHBondContact O-N 3.26Å; F697-N701 VanDerWaalsContact CD1-ND2 3.34Å; F697-N701 WeakPolarHBondContact CD1-ND2 3.38Å; F697-N701 WeakPolarHBondContact CE1-ND2 3.43Å; F697-N701 WeakPolarHBondContact CZ-ND2 3.26Å; F697-N701 PolarHBondContact O-N 2.7Å; F697-N701 PolarHBondContact O-ND2 3.26Å
698	D	96.4	Very high	94.5	Very high	52 Å²	52	37.8 Å²	37.8	28%	0.278	22%	0.223	S	C	.	.	H	α-helix	trans	-59	-48.8	173.8	171.1	59.3	0	0	0	111.6	D694 M700 N701 K702 H720	D694-D698 WeakPolarHBondContact O-CB 3.49Å; D694-D698 PolarHBondContact O-N 2.93Å; D698-M700 VanDerWaalsContact C-N 3.27Å; D698-M700 PolarHBondContact O-N 2.72Å; D698-N701 PolarHBondContact O-N 3.39Å; D698-N701 VanDerWaalsContact O-N 3.15Å; D698-K702 VanDerWaalsContact CG-NZ 3.34Å; D698-K702 WeakPolarHBondContact O-CB 3.45Å; D698-K702 WeakPolarHBondContact O-CG 3.33Å; D698-K702 PolarHBondContact O-N 2.9Å; D698-K702 WeakPolarHBondContact OD1-CE 3.48Å; D698-K702 IonicContact OD1-NZ 2.68Å; D698-K702 PolarHBondContact OD1-NZ 3.33Å; D698-K702 WeakPolarHBondContact OD2-CD 3.32Å; D698-K702 VanDerWaalsContact OD2-CE 3.25Å; D698-K702 WeakPolarHBondContact OD2-CE 3.12Å; D698-K702 IonicContact OD2-NZ 2.72Å; D698-K702 PolarHBondContact OD2-NZ 2.73Å; D698-H720 IonicContact OD1-NE2 3.44Å; D698-H720 IonicContact OD2-CD2 3.14Å; D698-H720 IonicContact OD2-CE1 2.68Å; D698-H720 PolarHBondContact OD2-CE1 3.02Å; D698-H720 CovalentContact OD2-NE2 1.81Å; D698-H720 IonicContact OD2-NE2 2.73Å; D698-H720 PolarHBondContact OD2-NE2 3.4Å
699	L	97.7	Very high	94.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.5	-40.8	174	-179.5	60.1	0	0	0	112.3	F628 Q695 K702 F703 I712 H720 Y722 F723	F628-L699 HydrophobicContact CE1-CD2 4.4Å; F628-L699 HydrophobicContact CE1-CG 4.47Å; Q695-L699 PolarHBondContact O-N 3.13Å; L699-K702 PolarHBondContact O-N 3.38Å; L699-F703 HydrophobicContact CD1-CD2 4.16Å; L699-F703 HydrophobicContact CD1-CE1 4.37Å; L699-F703 HydrophobicContact CD1-CE2 3.51Å; L699-F703 HydrophobicContact CD1-CZ 3.61Å; L699-F703 HydrophobicContact CD2-CE2 3.99Å; L699-F703 HydrophobicContact CD2-CZ 4.5Å; L699-F703 HydrophobicContact CG-CD2 4.08Å; L699-F703 HydrophobicContact CG-CE2 3.52Å; L699-F703 HydrophobicContact CG-CZ 4.12Å; L699-F703 VanDerWaalsContact O-CD2 3.29Å; L699-F703 WeakPolarHBondContact O-CD2 3.31Å; L699-F703 PolarHBondContact O-N 2.69Å; L699-F703 VanDerWaalsContact O-N 3.07Å; L699-I712 HydrophobicContact CD1-CD1 4.28Å; L699-H720 HydrophobicContact CD1-CB 4Å; L699-Y722 HydrophobicContact CD2-CD1 3.54Å; L699-Y722 HydrophobicContact CD2-CE1 4.4Å; L699-Y722 HydrophobicContact CD2-CG 4.09Å; L699-F723 HydrophobicContact CD2-CD2 4.5Å; L699-F723 HydrophobicContact CD2-CE2 3.6Å; L699-F723 HydrophobicContact CD2-CZ 3.66Å
700	M	96.9	Very high	95.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-43.7	176.7	-177.9	171.1	-75.9	0	0	112.3	F628 L632 L684 F688 L692 G696 F697 D698 K702 F703 L704	F628-M700 HydrophobicContact CD1-CB 4.15Å; F628-M700 HydrophobicContact CD1-CE 3.78Å; F628-M700 HydrophobicContact CE1-CB 4.02Å; F628-M700 HydrophobicContact CE1-CE 4.09Å; F628-M700 HydrophobicContact CG-CE 4.2Å; L632-M700 HydrophobicContact CD1-CE 3.65Å; L684-M700 HydrophobicContact CD1-CG 4.32Å; L684-M700 HydrophobicContact CD1-SD 4.48Å; F688-M700 HydrophobicContact CD1-CE 3.96Å; F688-M700 HydrophobicContact CD1-SD 4.22Å; F688-M700 HydrophobicContact CD2-CE 4.43Å; F688-M700 HydrophobicContact CD2-SD 3.67Å; F688-M700 HydrophobicContact CE1-CE 3.91Å; F688-M700 HydrophobicContact CE1-SD 4.38Å; F688-M700 HydrophobicContact CE2-CE 4.39Å; F688-M700 HydrophobicContact CE2-SD 3.86Å; F688-M700 HydrophobicContact CG-CE 4.23Å; F688-M700 HydrophobicContact CG-SD 3.88Å; F688-M700 HydrophobicContact CZ-CE 4.15Å; F688-M700 HydrophobicContact CZ-SD 4.22Å; L692-M700 HydrophobicContact CD1-CB 4.48Å; L692-M700 HydrophobicContact CD1-CE 3.77Å; L692-M700 HydrophobicContact CD1-SD 4.23Å; G696-M700 WeakPolarHBondContact O-CB 3.45Å; G696-M700 PolarHBondContact O-N 3.42Å; F697-M700 WeakPolarHBondContact O-CB 3.22Å; F697-M700 PolarHBondContact O-N 3.26Å; D698-M700 VanDerWaalsContact C-N 3.27Å; D698-M700 PolarHBondContact O-N 2.72Å; M700-K702 VanDerWaalsContact C-N 3.34Å; M700-F703 PolarHBondContact O-N 3.36Å; M700-L704 HydrophobicContact CG-CD1 3.78Å; M700-L704 WeakPolarHBondContact O-CB 3.45Å; M700-L704 WeakPolarHBondContact O-CG 3.47Å; M700-L704 PolarHBondContact O-N 3.43Å
701	N	95.4	Very high	95.6	Very high	37 Å²	37	41.8 Å²	41.8	20%	0.198	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-37.8	174.7	-69.5	-71	0	0	0	111.8	N682 F697 D698 F703 L704 T705	N682-N701 PolarHBondContact ND2-OD1 3.17Å; F697-N701 VanDerWaalsContact CD1-ND2 3.34Å; F697-N701 WeakPolarHBondContact CD1-ND2 3.38Å; F697-N701 WeakPolarHBondContact CE1-ND2 3.43Å; F697-N701 WeakPolarHBondContact CZ-ND2 3.26Å; F697-N701 PolarHBondContact O-N 2.7Å; F697-N701 PolarHBondContact O-ND2 3.26Å; D698-N701 PolarHBondContact O-N 3.39Å; D698-N701 VanDerWaalsContact O-N 3.15Å; N701-F703 VanDerWaalsContact C-N 3.34Å; N701-F703 PolarHBondContact O-N 3.28Å; N701-L704 CarbonylContact O-C 3.24Å; N701-L704 VanDerWaalsContact O-C 3.31Å; N701-L704 PolarHBondContact O-N 2.89Å; N701-T705 PolarHBondContact O-N 3.3Å; N701-T705 PolarHBondContact O-OG1 3.42Å
702	K	97.7	Very high	96	Very high	79 Å²	79	39 Å²	39	34%	0.343	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-35.2	176.9	-80	170.3	174.1	168.3	0	113	D698 L699 M700 I712 H720	D698-K702 VanDerWaalsContact CG-NZ 3.34Å; D698-K702 WeakPolarHBondContact O-CB 3.45Å; D698-K702 WeakPolarHBondContact O-CG 3.33Å; D698-K702 PolarHBondContact O-N 2.9Å; D698-K702 WeakPolarHBondContact OD1-CE 3.48Å; D698-K702 IonicContact OD1-NZ 2.68Å; D698-K702 PolarHBondContact OD1-NZ 3.33Å; D698-K702 WeakPolarHBondContact OD2-CD 3.32Å; D698-K702 VanDerWaalsContact OD2-CE 3.25Å; D698-K702 WeakPolarHBondContact OD2-CE 3.12Å; D698-K702 IonicContact OD2-NZ 2.72Å; D698-K702 PolarHBondContact OD2-NZ 2.73Å; L699-K702 PolarHBondContact O-N 3.38Å; M700-K702 VanDerWaalsContact C-N 3.34Å; K702-I712 HydrophobicContact CB-CB 4.01Å; K702-I712 HydrophobicContact CB-CD1 4.2Å; K702-I712 HydrophobicContact CB-CG2 3.98Å; K702-I712 HydrophobicContact CD-CD1 4.33Å; K702-I712 WeakPolarHBondContact O-CG2 3.5Å; K702-I712 PolarHBondContact O-N 3.49Å; K702-I712 VanDerWaalsContact O-N 3.09Å; K702-H720 WeakPolarHBondContact CD-NE2 3.47Å; K702-H720 WeakPolarHBondContact CE-NE2 3.44Å; K702-H720 PolarHBondContact NZ-NE2 3.25Å
703	F	98.3	Very high	96.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-74.8	-38.8	168.7	-67	-50.7	0	0	0	113.5	M543 L547 M621 V624 F628 L699 M700 N701 T705 R711 I712	M543-F703 HydrophobicContact CE-CE2 3.75Å; M543-F703 HydrophobicContact CE-CZ 4.22Å; L547-F703 HydrophobicContact CD1-CZ 4.11Å; L547-F703 HydrophobicContact CD2-CE1 3.87Å; L547-F703 HydrophobicContact CD2-CZ 3.81Å; L547-F703 HydrophobicContact CG-CZ 4.47Å; M621-F703 HydrophobicContact CE-CD1 3.87Å; M621-F703 HydrophobicContact CE-CE1 3.52Å; V624-F703 HydrophobicContact CG1-CD1 4.35Å; V624-F703 HydrophobicContact CG1-CE1 4.09Å; V624-F703 HydrophobicContact CG1-CE2 4.3Å; V624-F703 HydrophobicContact CG1-CZ 4.07Å; F628-F703 HydrophobicContact CD1-CD2 4.34Å; F628-F703 HydrophobicContact CD1-CE2 4.49Å; L699-F703 HydrophobicContact CD1-CD2 4.16Å; L699-F703 HydrophobicContact CD1-CE1 4.37Å; L699-F703 HydrophobicContact CD1-CE2 3.51Å; L699-F703 HydrophobicContact CD1-CZ 3.61Å; L699-F703 HydrophobicContact CD2-CE2 3.99Å; L699-F703 HydrophobicContact CD2-CZ 4.5Å; L699-F703 HydrophobicContact CG-CD2 4.08Å; L699-F703 HydrophobicContact CG-CE2 3.52Å; L699-F703 HydrophobicContact CG-CZ 4.12Å; L699-F703 VanDerWaalsContact O-CD2 3.29Å; L699-F703 WeakPolarHBondContact O-CD2 3.31Å; L699-F703 PolarHBondContact O-N 2.69Å; L699-F703 VanDerWaalsContact O-N 3.07Å; M700-F703 PolarHBondContact O-N 3.36Å; N701-F703 VanDerWaalsContact C-N 3.34Å; N701-F703 PolarHBondContact O-N 3.28Å; F703-T705 VanDerWaalsContact C-N 3.28Å; F703-T705 PolarHBondContact O-N 3.39Å; F703-R711 VanDerWaalsContact O-CD 3.3Å; F703-R711 WeakPolarHBondContact O-CD 3.27Å; F703-R711 WeakPolarHBondContact O-CG 3.47Å; F703-I712 HydrophobicContact CD1-CG2 3.3Å; F703-I712 HydrophobicContact CE1-CG2 3.52Å; F703-I712 HydrophobicContact CG-CG2 4.11Å
704	L	97.2	Very high	96.5	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.037	20%	0.204	C	C	.	.	S	Bend	trans	-91.9	20.4	-176.9	-61	175	0	0	0	113.3	W622 L637 F638 L654 L684 M700 N701 Y706	W622-L704 HydrophobicContact CD2-CD2 4.14Å; W622-L704 HydrophobicContact CE3-CD2 4.22Å; W622-L704 HydrophobicContact CH2-CD2 4.44Å; W622-L704 HydrophobicContact CZ2-CD2 4.34Å; W622-L704 HydrophobicContact CZ3-CB 4.32Å; W622-L704 HydrophobicContact CZ3-CD2 4.38Å; W622-L704 VanDerWaalsContact CZ3-O 3.31Å; W622-L704 WeakPolarHBondContact CZ3-O 3.33Å; L637-L704 HydrophobicContact CD2-CD1 3.64Å; L637-L704 HydrophobicContact CD2-CD2 4.1Å; F638-L704 HydrophobicContact CE2-CD2 4.18Å; L654-L704 HydrophobicContact CD1-CB 4.32Å; L654-L704 HydrophobicContact CD2-CD1 4.47Å; L684-L704 HydrophobicContact CD1-CD1 3.88Å; L684-L704 HydrophobicContact CD2-CD1 4.45Å; M700-L704 HydrophobicContact CG-CD1 3.78Å; M700-L704 WeakPolarHBondContact O-CB 3.45Å; M700-L704 WeakPolarHBondContact O-CG 3.47Å; M700-L704 PolarHBondContact O-N 3.43Å; N701-L704 CarbonylContact O-C 3.24Å; N701-L704 VanDerWaalsContact O-C 3.31Å; N701-L704 PolarHBondContact O-N 2.89Å; L704-Y706 PolarHBondContact O-N 2.91Å
705	T	96.6	Very high	96.6	Very high	39 Å²	39	37.2 Å²	37.2	24%	0.239	20%	0.196	C	C	.	.			trans	-69.2	127.7	176.7	-72	0	0	0	0	110	N701 F703 R710 R711	N701-T705 PolarHBondContact O-N 3.3Å; N701-T705 PolarHBondContact O-OG1 3.42Å; F703-T705 VanDerWaalsContact C-N 3.28Å; F703-T705 PolarHBondContact O-N 3.39Å; T705-R710 HydrophobicContact CG2-CB 3.91Å; T705-R711 PolarHBondContact O-NE 2.93Å; T705-R711 PolarHBondContact O-NH2 2.82Å
706	Y	95.7	Very high	96.7	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.047	20%	0.201	C	C	.	.	S	Bend	trans	-56.9	-60.6	-177	-86.8	-71.2	0	0	0	113.1	P606 V650 F651 L654 G655 P657 I661 W662 L704 P708 R711	P606-Y706 HydrophobicContact CB-CD1 4.08Å; P606-Y706 HydrophobicContact CB-CE1 4.12Å; P606-Y706 HydrophobicContact CG-CD1 3.87Å; P606-Y706 HydrophobicContact CG-CE1 4.25Å; V650-Y706 HydrophobicContact CG1-CE1 4.1Å; V650-Y706 WeakPolarHBondContact CG1-OH 3.44Å; F651-Y706 HydrophobicContact CD1-CE1 4.22Å; F651-Y706 WeakPolarHBondContact CD1-OH 3.43Å; F651-Y706 HydrophobicContact CE1-CE1 4.07Å; L654-Y706 HydrophobicContact CB-CE2 3.85Å; L654-Y706 WeakPolarHBondContact CB-OH 3.07Å; L654-Y706 HydrophobicContact CD1-CE2 4.05Å; G655-Y706 PolarHBondContact O-OH 3.06Å; P657-Y706 HydrophobicContact CB-CD1 4.11Å; P657-Y706 HydrophobicContact CB-CD2 3.99Å; P657-Y706 HydrophobicContact CB-CE1 4.44Å; P657-Y706 HydrophobicContact CB-CE2 4.31Å; P657-Y706 HydrophobicContact CB-CG 3.89Å; P657-Y706 HydrophobicContact CG-CD1 3.97Å; P657-Y706 HydrophobicContact CG-CE1 3.98Å; P657-Y706 HydrophobicContact CG-CG 4.27Å; I661-Y706 HydrophobicContact CG2-CD2 4.14Å; W662-Y706 AromaticContact CE3-CD1 3.98Å; W662-Y706 HydrophobicContact CE3-CD1 3.98Å; W662-Y706 HydrophobicContact CE3-CG 4.31Å; W662-Y706 AromaticContact CZ3-CD1 3.98Å; W662-Y706 HydrophobicContact CZ3-CD1 3.98Å; L704-Y706 PolarHBondContact O-N 2.91Å; Y706-P708 VanDerWaalsContact O-CD 3.3Å; Y706-P708 WeakPolarHBondContact O-CD 3.34Å; Y706-R711 PolarHBondContact O-NH2 3.24Å
707	F	95.3	Very high	96.8	Very high	59 Å²	59	37.9 Å²	37.9	26%	0.259	20%	0.201	S	C	.	.	S	Bend	trans	-67.5	119	-176.2	-178.7	-127.6	0	0	0	111.3	W662 G709 R710 R711	W662-F707 HydrophobicContact CB-CB 4.18Å; W662-F707 AromaticContact CD1-CD2 3.43Å; W662-F707 VanDerWaalsContact CD1-CD2 3.43Å; W662-F707 HydrophobicContact CG-CB 4.15Å; W662-F707 HydrophobicContact CG-CD2 4.17Å; W662-F707 AromaticContact NE1-CD2 3.77Å; F707-G709 PolarHBondContact O-N 3.1Å; F707-G709 VanDerWaalsContact O-N 3.16Å; F707-R710 HydrophobicContact CD1-CB 3.99Å; F707-R710 HydrophobicContact CD1-CG 3.75Å; F707-R710 HydrophobicContact CE1-CG 4.38Å; F707-R710 PolarHBondContact O-N 3.32Å; F707-R711 PolarHBondContact O-N 2.89Å
708	P	94.9	Very high	96.9	Very high	34 Å²	34	39.3 Å²	39.3	22%	0.221	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-58	-32.8	-176.7	-28.1	37.3	0	0	0	113.9	E607 A618 Y706 R710 R711	E607-P708 HydrophobicContact CB-CG 4.13Å; E607-P708 HydrophobicContact CG-CG 3.94Å; A618-P708 HydrophobicContact CB-CB 3.85Å; Y706-P708 VanDerWaalsContact O-CD 3.3Å; Y706-P708 WeakPolarHBondContact O-CD 3.34Å; P708-R710 VanDerWaalsContact C-N 3.28Å; P708-R710 PolarHBondContact O-N 3.32Å; P708-R711 PolarHBondContact O-N 2.92Å
709	G	94	Very high	97	Very high	64 Å²	64	41.6 Å²	41.6	66%	0.66	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-74.5	-7.6	178.4	0	0	0	0	0	115.7	F707	F707-G709 PolarHBondContact O-N 3.1Å; F707-G709 VanDerWaalsContact O-N 3.16Å
710	R	95.8	Very high	97.1	Very high	150 Å²	150	42.4 Å²	42.4	57%	0.566	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-112.1	-2.3	171.6	-78.1	169.3	-174.7	166.8	-2.8	112.7	K660 I661 T705 F707 P708	K660-R710 PolarHBondContact O-NH1 2.69Å; I661-R710 PolarHBondContact O-NH1 2.97Å; T705-R710 HydrophobicContact CG2-CB 3.91Å; F707-R710 HydrophobicContact CD1-CB 3.99Å; F707-R710 HydrophobicContact CD1-CG 3.75Å; F707-R710 HydrophobicContact CE1-CG 4.38Å; F707-R710 PolarHBondContact O-N 3.32Å; P708-R710 VanDerWaalsContact C-N 3.28Å; P708-R710 PolarHBondContact O-N 3.32Å
711	R	97.8	Very high	97.1	Very high	18 Å²	18	47.6 Å²	47.6	7%	0.068	25%	0.245	C	C	.	.	S	Bend	trans	-78.3	135.2	-177.9	-163.8	-178.4	-61.5	151.9	4.3	110.1	E607 A618 M621 F703 T705 Y706 F707 P708	E607-R711 IonicContact OE1-CZ 3.41Å; E607-R711 IonicContact OE1-NH1 2.74Å; E607-R711 PolarHBondContact OE1-NH1 3.42Å; E607-R711 IonicContact OE1-NH2 3.52Å; E607-R711 PolarHBondContact OE1-NH2 3.25Å; E607-R711 IonicContact OE2-CZ 3.44Å; E607-R711 IonicContact OE2-NH1 2.74Å; E607-R711 PolarHBondContact OE2-NH1 3.09Å; E607-R711 IonicContact OE2-NH2 2.65Å; E607-R711 PolarHBondContact OE2-NH2 2.9Å; A618-R711 WeakPolarHBondContact O-CD 3.37Å; A618-R711 PolarHBondContact O-NH1 2.94Å; M621-R711 HydrophobicContact CB-CG 4.5Å; F703-R711 VanDerWaalsContact O-CD 3.3Å; F703-R711 WeakPolarHBondContact O-CD 3.27Å; F703-R711 WeakPolarHBondContact O-CG 3.47Å; T705-R711 PolarHBondContact O-NE 2.93Å; T705-R711 PolarHBondContact O-NH2 2.82Å; Y706-R711 PolarHBondContact O-NH2 3.24Å; F707-R711 PolarHBondContact O-N 2.89Å; P708-R711 PolarHBondContact O-N 2.92Å
712	I	98.4	Very high	97.2	Very high	23 Å²	23	46 Å²	46	12%	0.118	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-62.7	140.9	-172.5	-163.5	173.5	0	0	0	112.7	M621 L699 K702 F703 D716	M621-I712 WeakPolarHBondContact CG-O 3.22Å; L699-I712 HydrophobicContact CD1-CD1 4.28Å; K702-I712 HydrophobicContact CB-CB 4.01Å; K702-I712 HydrophobicContact CB-CD1 4.2Å; K702-I712 HydrophobicContact CB-CG2 3.98Å; K702-I712 HydrophobicContact CD-CD1 4.33Å; K702-I712 WeakPolarHBondContact O-CG2 3.5Å; K702-I712 PolarHBondContact O-N 3.49Å; K702-I712 VanDerWaalsContact O-N 3.09Å; F703-I712 HydrophobicContact CD1-CG2 3.3Å; F703-I712 HydrophobicContact CE1-CG2 3.52Å; F703-I712 HydrophobicContact CG-CG2 4.11Å; I712-D716 HydrophobicContact CD1-CB 4.29Å; I712-D716 HydrophobicContact CG1-CB 3.87Å
713	S	98.4	Very high	97.2	Very high	43 Å²	43	43.1 Å²	43.1	30%	0.301	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-74.4	164.5	175.2	86	0	0	0	0	112	E715 D716 G717	S713-E715 PolarHBondContact O-N 2.89Å; S713-E715 PolarHBondContact OG-N 3.33Å; S713-D716 WeakPolarHBondContact CB-OD2 2.99Å; S713-D716 VanDerWaalsContact OG-CG 3.26Å; S713-D716 PolarHBondContact OG-N 3.5Å; S713-D716 PolarHBondContact OG-OD2 3.29Å; S713-G717 PolarHBondContact O-N 2.97Å
714	A	98	Very high	97	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-30.1	172.2	0	0	0	0	0	112.6	V550 K551 M621 L718	V550-A714 HydrophobicContact CB-CB 4.44Å; V550-A714 HydrophobicContact CG1-CB 4.09Å; K551-A714 HydrophobicContact CB-CB 3.76Å; K551-A714 HydrophobicContact CG-CB 4.27Å; M621-A714 HydrophobicContact CE-CB 4.07Å; M621-A714 HydrophobicContact SD-CB 3.77Å; A714-L718 WeakPolarHBondContact O-CG 3.26Å; A714-L718 PolarHBondContact O-N 3.48Å
715	E	97.6	Very high	96.9	Very high	79 Å²	79	53.5 Å²	53.5	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-74.7	-44.2	178.8	-171.9	177.2	127.1	0	0	111.9	K551 S713 G717 L718 K719	K551-E715 HydrophobicContact CD-CB 4.44Å; K551-E715 WeakPolarHBondContact CE-OE2 3.49Å; K551-E715 HydrophobicContact CG-CB 4.2Å; K551-E715 IonicContact NZ-OE2 2.67Å; K551-E715 PolarHBondContact NZ-OE2 2.86Å; S713-E715 PolarHBondContact O-N 2.89Å; S713-E715 PolarHBondContact OG-N 3.33Å; E715-G717 VanDerWaalsContact C-N 3.34Å; E715-L718 WeakPolarHBondContact O-CB 3.4Å; E715-L718 PolarHBondContact O-N 3.3Å; E715-K719 PolarHBondContact O-N 2.93Å; E715-K719 WeakPolarHBondContact OE1-CE 3.41Å; E715-K719 IonicContact OE1-NZ 3.88Å; E715-K719 PolarHBondContact OE1-NZ 3.22Å
716	D	98.1	Very high	96.7	Very high	74 Å²	74	57.3 Å²	57.3	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-76.2	-28.5	-178.5	-52.1	-51	0	0	0	111.3	I712 S713 L718 K719 H720	I712-D716 HydrophobicContact CD1-CB 4.29Å; I712-D716 HydrophobicContact CG1-CB 3.87Å; S713-D716 WeakPolarHBondContact CB-OD2 2.99Å; S713-D716 VanDerWaalsContact OG-CG 3.26Å; S713-D716 PolarHBondContact OG-N 3.5Å; S713-D716 PolarHBondContact OG-OD2 3.29Å; D716-L718 VanDerWaalsContact C-N 3.3Å; D716-L718 PolarHBondContact O-N 2.67Å; D716-K719 PolarHBondContact O-N 3.04Å; D716-K719 VanDerWaalsContact O-N 3.12Å; D716-K719 IonicContact OD1-NZ 2.72Å; D716-K719 PolarHBondContact OD1-NZ 3.39Å; D716-H720 PolarHBondContact O-N 3.39Å
717	G	98	Very high	96.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-55.7	-43.3	165	0	0	0	0	0	112.2	S713 E715 K719 H720 F723	S713-G717 PolarHBondContact O-N 2.97Å; E715-G717 VanDerWaalsContact C-N 3.34Å; G717-K719 PolarHBondContact O-N 2.99Å; G717-H720 WeakPolarHBondContact O-CB 3.46Å; G717-H720 PolarHBondContact O-N 3.24Å; G717-F723 WeakPolarHBondContact O-CD2 3.29Å; G717-F723 WeakPolarHBondContact O-CE2 3.33Å
718	L	97.9	Very high	96.6	Very high	53 Å²	53	62.1 Å²	62.1	28%	0.277	32%	0.32	S	S	.	.	H	α-helix	trans	-67.4	-21.2	177	-72.5	166.9	0	0	0	114	I544 L547 R548 K551 A714 E715 D716	I544-L718 HydrophobicContact CG2-CD2 4.14Å; L547-L718 HydrophobicContact CB-CD1 4.42Å; L547-L718 HydrophobicContact CB-CD2 3.58Å; L547-L718 HydrophobicContact CB-CG 3.76Å; L547-L718 HydrophobicContact CD1-CD2 4.35Å; R548-L718 HydrophobicContact CG-CD1 4.04Å; R548-L718 HydrophobicContact CG-CD2 3.9Å; K551-L718 HydrophobicContact CB-CD1 4.4Å; A714-L718 WeakPolarHBondContact O-CG 3.26Å; A714-L718 PolarHBondContact O-N 3.48Å; E715-L718 WeakPolarHBondContact O-CB 3.4Å; E715-L718 PolarHBondContact O-N 3.3Å; D716-L718 VanDerWaalsContact C-N 3.3Å; D716-L718 PolarHBondContact O-N 2.67Å
719	K	97.9	Very high	96.7	Very high	100 Å²	100	62.4 Å²	62.4	44%	0.435	32%	0.322	S	S	.	.	H	α-helix	trans	-86.5	-11	178.6	-62.6	168.3	-166.4	155.4	0	112.9	E715 D716 G717	E715-K719 PolarHBondContact O-N 2.93Å; E715-K719 WeakPolarHBondContact OE1-CE 3.41Å; E715-K719 IonicContact OE1-NZ 3.88Å; E715-K719 PolarHBondContact OE1-NZ 3.22Å; D716-K719 PolarHBondContact O-N 3.04Å; D716-K719 VanDerWaalsContact O-N 3.12Å; D716-K719 IonicContact OD1-NZ 2.72Å; D716-K719 PolarHBondContact OD1-NZ 3.39Å; G717-K719 PolarHBondContact O-N 2.99Å
720	H	98.4	Very high	96.7	Very high	16 Å²	16	61.5 Å²	61.5	7%	0.074	30%	0.302	C	S	.	.			trans	-66.1	141.9	-168.2	-159.9	-76.4	0	0	0	114	Q695 D698 L699 K702 D716 G717 Y722 F723	Q695-H720 VanDerWaalsContact CA-CE1 3.49Å; Q695-H720 WeakPolarHBondContact CA-CE1 3.42Å; Q695-H720 PolarHBondContact O-CE1 3.32Å; Q695-H720 PolarHBondContact OE1-CE1 2.97Å; D698-H720 IonicContact OD1-NE2 3.44Å; D698-H720 IonicContact OD2-CD2 3.14Å; D698-H720 IonicContact OD2-CE1 2.68Å; D698-H720 PolarHBondContact OD2-CE1 3.02Å; D698-H720 CovalentContact OD2-NE2 1.81Å; D698-H720 IonicContact OD2-NE2 2.73Å; D698-H720 PolarHBondContact OD2-NE2 3.4Å; L699-H720 HydrophobicContact CD1-CB 4Å; K702-H720 WeakPolarHBondContact CD-NE2 3.47Å; K702-H720 WeakPolarHBondContact CE-NE2 3.44Å; K702-H720 PolarHBondContact NZ-NE2 3.25Å; D716-H720 PolarHBondContact O-N 3.39Å; G717-H720 WeakPolarHBondContact O-CB 3.46Å; G717-H720 PolarHBondContact O-N 3.24Å; H720-Y722 PolarHBondContact ND1-N 3.34Å; H720-Y722 VanDerWaalsContact ND1-N 3.19Å; H720-Y722 PolarHBondContact O-N 2.94Å; H720-F723 HydrophobicContact CB-CD2 4.3Å; H720-F723 HydrophobicContact CB-CE2 4.49Å; H720-F723 PolarHBondContact O-N 2.89Å; H720-F723 VanDerWaalsContact O-N 3.11Å
721	E	97.4	Very high	96.5	Very high	109 Å²	109	58.4 Å²	58.4	51%	0.509	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-66.1	-22.5	-173.5	-55	-167.9	118.5	0	0	113.6	Q695 F723 R724 E725	Q695-E721 PolarHBondContact NE2-OE2 2.9Å; E721-F723 PolarHBondContact O-N 3.08Å; E721-F723 VanDerWaalsContact O-N 3.08Å; E721-R724 WeakPolarHBondContact O-CA 3.39Å; E721-R724 WeakPolarHBondContact O-CB 3.49Å; E721-R724 PolarHBondContact O-N 2.88Å; E721-E725 WeakPolarHBondContact O-CG 3.38Å; E721-E725 PolarHBondContact O-N 3.05Å; E721-E725 VanDerWaalsContact O-N 3.07Å
722	Y	97.5	Very high	96.2	Very high	4 Å²	4	59 Å²	59	2%	0.016	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-52	-30.2	170.2	179	-114.8	0	0	0	113.2	K540 F628 L692 G696 L699 H720 R724 E725	K540-Y722 HydrophobicContact CD-CE1 4.29Å; K540-Y722 WeakPolarHBondContact CD-O 3.5Å; K540-Y722 WeakPolarHBondContact CE-O 3.38Å; K540-Y722 HydrophobicContact CG-CD1 4.19Å; K540-Y722 HydrophobicContact CG-CE1 3.57Å; K540-Y722 PolarHBondContact NZ-O 3.17Å; F628-Y722 AromaticContact CE2-CE1 3.85Å; F628-Y722 HydrophobicContact CE2-CE1 3.85Å; F628-Y722 HydrophobicContact CZ-CD1 4.24Å; F628-Y722 AromaticContact CZ-CE1 3.52Å; F628-Y722 HydrophobicContact CZ-CE1 3.52Å; F628-Y722 AromaticContact CZ-CZ 3.76Å; L692-Y722 HydrophobicContact CD2-CE2 4.07Å; L692-Y722 WeakPolarHBondContact CD2-OH 3.48Å; G696-Y722 VanDerWaalsContact CA-CE2 3.49Å; G696-Y722 VanDerWaalsContact N-CD2 3.34Å; L699-Y722 HydrophobicContact CD2-CD1 3.54Å; L699-Y722 HydrophobicContact CD2-CE1 4.4Å; L699-Y722 HydrophobicContact CD2-CG 4.09Å; H720-Y722 PolarHBondContact ND1-N 3.34Å; H720-Y722 VanDerWaalsContact ND1-N 3.19Å; H720-Y722 PolarHBondContact O-N 2.94Å; Y722-R724 VanDerWaalsContact C-N 3.29Å; Y722-R724 PolarHBondContact O-N 3.11Å; Y722-E725 HydrophobicContact CD2-CG 4.43Å; Y722-E725 WeakPolarHBondContact CD2-OE1 2.83Å; Y722-E725 WeakPolarHBondContact O-CG 3.39Å
723	F	97.4	Very high	95.7	Very high	18 Å²	18	62.5 Å²	62.5	8%	0.079	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-83.5	-2.2	177.9	-61.7	-62	0	0	0	114.1	K540 M543 I544 L547 L699 G717 H720 E721 P729	K540-F723 HydrophobicContact CB-CD1 4.1Å; K540-F723 HydrophobicContact CB-CE1 4.33Å; K540-F723 HydrophobicContact CG-CD1 4.1Å; K540-F723 HydrophobicContact CG-CE1 4.33Å; M543-F723 HydrophobicContact CB-CE1 3.85Å; M543-F723 HydrophobicContact CB-CZ 3.94Å; I544-F723 HydrophobicContact CD1-CB 4.13Å; I544-F723 HydrophobicContact CD1-CD1 3.67Å; I544-F723 HydrophobicContact CD1-CE1 4.37Å; I544-F723 HydrophobicContact CD1-CG 4.05Å; I544-F723 HydrophobicContact CG1-CB 4.43Å; I544-F723 HydrophobicContact CG1-CD1 3.49Å; I544-F723 VanDerWaalsContact CG1-CD1 3.49Å; I544-F723 HydrophobicContact CG1-CD2 4.47Å; I544-F723 HydrophobicContact CG1-CE1 3.77Å; I544-F723 HydrophobicContact CG1-CG 3.87Å; I544-F723 HydrophobicContact CG1-CZ 4.37Å; L547-F723 HydrophobicContact CD1-CE2 3.88Å; L547-F723 HydrophobicContact CD1-CZ 3.88Å; L699-F723 HydrophobicContact CD2-CD2 4.5Å; L699-F723 HydrophobicContact CD2-CE2 3.6Å; L699-F723 HydrophobicContact CD2-CZ 3.66Å; G717-F723 WeakPolarHBondContact O-CD2 3.29Å; G717-F723 WeakPolarHBondContact O-CE2 3.33Å; H720-F723 HydrophobicContact CB-CD2 4.3Å; H720-F723 HydrophobicContact CB-CE2 4.49Å; H720-F723 PolarHBondContact O-N 2.89Å; H720-F723 VanDerWaalsContact O-N 3.11Å; E721-F723 PolarHBondContact O-N 3.08Å; E721-F723 VanDerWaalsContact O-N 3.08Å; F723-P729 WeakPolarHBondContact O-CD 3.45Å
724	R	95.6	Very high	95.1	Very high	177 Å²	177	66.3 Å²	66.3	67%	0.668	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-26.6	-179.2	-57.2	-179.7	-177.3	175.4	-0	113.6	E721 Y722 L728	E721-R724 WeakPolarHBondContact O-CA 3.39Å; E721-R724 WeakPolarHBondContact O-CB 3.49Å; E721-R724 PolarHBondContact O-N 2.88Å; Y722-R724 VanDerWaalsContact C-N 3.29Å; Y722-R724 PolarHBondContact O-N 3.11Å; R724-L728 WeakPolarHBondContact O-CD2 3.45Å
725	E	94.3	Very high	94.6	Very high	48 Å²	48	66.8 Å²	66.8	22%	0.224	35%	0.345	C	S	.	.	S	Bend	trans	-71.4	155.8	173	50.5	130.2	-117	0	0	113.6	K540 S693 Q695 E721 Y722 P727	K540-E725 PolarHBondContact NZ-O 3.09Å; K540-E725 IonicContact NZ-OE1 3.57Å; K540-E725 PolarHBondContact NZ-OE1 3.07Å; S693-E725 WeakPolarHBondContact CB-OE2 3.41Å; S693-E725 VanDerWaalsContact OG-CD 3.24Å; S693-E725 PolarHBondContact OG-OE1 2.95Å; S693-E725 PolarHBondContact OG-OE2 2.92Å; Q695-E725 HydrophobicContact CB-CG 4.36Å; E721-E725 WeakPolarHBondContact O-CG 3.38Å; E721-E725 PolarHBondContact O-N 3.05Å; E721-E725 VanDerWaalsContact O-N 3.07Å; Y722-E725 HydrophobicContact CD2-CG 4.43Å; Y722-E725 WeakPolarHBondContact CD2-OE1 2.83Å; Y722-E725 WeakPolarHBondContact O-CG 3.39Å; E725-P727 CarbonylContact O-C 3.55Å; E725-P727 VanDerWaalsContact O-O 3.08Å
726	T	92.3	Very high	93.8	Very high	119 Å²	119	65.8 Å²	65.8	73%	0.73	35%	0.346	S	S	*	.	S	Bend	trans	-75.8	141.5	177.1	50.1	0	0	0	0	112.7
727	P	93.9	Very high	92.8	Very high	73 Å²	73	67.2 Å²	67.2	47%	0.474	36%	0.357	S	S	.	.	S	Bend	cis	-71.2	141.4	-3.7	30.8	-35.9	0	0	0	111.1	P536 K540 E725	P536-P727 HydrophobicContact CB-CG 3.85Å; K540-P727 VanDerWaalsContact CD-O 3.28Å; K540-P727 WeakPolarHBondContact CD-O 3.31Å; K540-P727 WeakPolarHBondContact CE-O 3.49Å; K540-P727 PolarHBondContact NZ-O 3.44Å; E725-P727 CarbonylContact O-C 3.55Å; E725-P727 VanDerWaalsContact O-O 3.08Å
728	L	95.5	Very high	91.9	Very high	99 Å²	99	69.7 Å²	69.7	52%	0.518	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-70	161.2	-179.9	-69.3	175.7	0	0	0	111.7	G537 R724 I730	G537-L728 VanDerWaalsContact CA-O 3.3Å; G537-L728 WeakPolarHBondContact CA-O 3.48Å; R724-L728 WeakPolarHBondContact O-CD2 3.45Å; L728-I730 PolarHBondContact O-N 3.29Å
729	P	95.8	Very high	90.9	Very high	40 Å²	40	72 Å²	72	26%	0.26	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-57.1	132.4	166.6	-13.9	26.2	0	0	0	110.2	K540 T541 I544 F723	K540-P729 HydrophobicContact CB-CB 4.04Å; K540-P729 HydrophobicContact CB-CG 4.03Å; T541-P729 WeakPolarHBondContact OG1-CA 3.35Å; T541-P729 VanDerWaalsContact OG1-CB 3.24Å; T541-P729 WeakPolarHBondContact OG1-CB 3.23Å; I544-P729 HydrophobicContact CD1-CB 3.81Å; I544-P729 HydrophobicContact CD1-CG 3.51Å; F723-P729 WeakPolarHBondContact O-CD 3.45Å
730	I	94.6	Very high	89.8	Confident	45 Å²	45	67.4 Å²	67.4	23%	0.231	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-79.7	152.8	175.6	71.4	165.4	0	0	0	111.3	G537 E538 T541 L728 M734 F735	G537-I730 PolarHBondContact O-N 3.21Å; E538-I730 HydrophobicContact CG-CD1 3.59Å; E538-I730 HydrophobicContact CG-CG1 4.28Å; T541-I730 WeakPolarHBondContact CB-O 3.21Å; T541-I730 WeakPolarHBondContact CG2-O 3.5Å; T541-I730 PolarHBondContact OG1-N 3.49Å; T541-I730 PolarHBondContact OG1-O 3.4Å; L728-I730 PolarHBondContact O-N 3.29Å; I730-M734 HydrophobicContact CB-CE 4.18Å; I730-M734 HydrophobicContact CD1-CB 4.21Å; I730-F735 HydrophobicContact CD1-CD2 3.75Å; I730-F735 HydrophobicContact CD1-CE2 3.79Å; I730-F735 HydrophobicContact CD1-CG 4.44Å; I730-F735 HydrophobicContact CD1-CZ 4.49Å; I730-F735 HydrophobicContact CG1-CD2 4.05Å; I730-F735 HydrophobicContact CG1-CE2 3.66Å; I730-F735 HydrophobicContact CG1-CZ 4.45Å
731	D	92.2	Very high	88.6	Confident	85 Å²	85	70.5 Å²	70.5	46%	0.455	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-62.3	139.4	170.1	-172.1	-89.3	0	0	0	111	S733 M734	D731-S733 PolarHBondContact O-N 3.43Å; D731-S733 VanDerWaalsContact O-N 3.15Å; D731-S733 VanDerWaalsContact OD1-CB 3.25Å; D731-S733 WeakPolarHBondContact OD1-CB 3.4Å; D731-S733 PolarHBondContact OD1-N 3.14Å; D731-S733 PolarHBondContact OD1-OG 2.95Å; D731-M734 HydrophobicContact CB-CE 3.79Å; D731-M734 HydrophobicContact CB-CG 4.49Å; D731-M734 WeakPolarHBondContact O-CB 3.38Å; D731-M734 PolarHBondContact O-N 2.86Å
732	P	91.2	Very high	87.3	Confident	31 Å²	31	66.1 Å²	66.1	20%	0.201	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-53.3	-32.2	177.8	-28.9	36.8	0	0	0	114.8	T541 A573 G574 I575 M734 F735	T541-P732 HydrophobicContact CG2-CG 4.18Å; A573-P732 CarbonylContact C-O 3.58Å; A573-P732 CarbonylContact O-C 3.14Å; A573-P732 VanDerWaalsContact O-CB 3.32Å; A573-P732 WeakPolarHBondContact O-CB 3.47Å; G574-P732 WeakPolarHBondContact CA-O 3.46Å; I575-P732 HydrophobicContact CD1-CB 3.82Å; I575-P732 HydrophobicContact CD1-CG 4.16Å; P732-M734 PolarHBondContact O-N 3.37Å; P732-F735 WeakPolarHBondContact O-CB 3.24Å; P732-F735 PolarHBondContact O-N 3.2Å
733	S	87.2	Confident	86.3	Confident	96 Å²	96	69.6 Å²	69.6	67%	0.671	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-68.6	-14.8	177	67	0	0	0	0	114.3	D731	D731-S733 PolarHBondContact O-N 3.43Å; D731-S733 VanDerWaalsContact O-N 3.15Å; D731-S733 VanDerWaalsContact OD1-CB 3.25Å; D731-S733 WeakPolarHBondContact OD1-CB 3.4Å; D731-S733 PolarHBondContact OD1-N 3.14Å; D731-S733 PolarHBondContact OD1-OG 2.95Å
734	M	87.6	Confident	85	Confident	124 Å²	124	74.1 Å²	74.1	61%	0.611	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-90.8	1	175.2	-64.4	-166.8	-75.4	0	0	113.5	I730 D731 P732	I730-M734 HydrophobicContact CB-CE 4.18Å; I730-M734 HydrophobicContact CD1-CB 4.21Å; D731-M734 HydrophobicContact CB-CE 3.79Å; D731-M734 HydrophobicContact CB-CG 4.49Å; D731-M734 WeakPolarHBondContact O-CB 3.38Å; D731-M734 PolarHBondContact O-N 2.86Å; P732-M734 PolarHBondContact O-N 3.37Å
735	F	86.6	Confident	82.9	Confident	13 Å²	13	73.8 Å²	73.8	6%	0.057	40%	0.404	C	S	.	.	S	Bend	trans	-64.5	140.6	173.6	-89.1	-108.3	0	0	0	111.3	E538 T541 L542 L570 I730 P732 W738	E538-F735 HydrophobicContact CB-CE1 3.94Å; E538-F735 HydrophobicContact CB-CZ 3.87Å; E538-F735 HydrophobicContact CG-CE1 4.2Å; E538-F735 HydrophobicContact CG-CZ 4.24Å; T541-F735 HydrophobicContact CG2-CE2 3.72Å; T541-F735 HydrophobicContact CG2-CZ 4.19Å; L542-F735 HydrophobicContact CD1-CE1 4.26Å; L542-F735 HydrophobicContact CD2-CE1 3.81Å; L542-F735 HydrophobicContact CD2-CZ 3.96Å; L542-F735 HydrophobicContact CG-CE1 3.92Å; L542-F735 HydrophobicContact CG-CZ 3.91Å; L570-F735 HydrophobicContact CD2-CD1 4.47Å; I730-F735 HydrophobicContact CD1-CD2 3.75Å; I730-F735 HydrophobicContact CD1-CE2 3.79Å; I730-F735 HydrophobicContact CD1-CG 4.44Å; I730-F735 HydrophobicContact CD1-CZ 4.49Å; I730-F735 HydrophobicContact CG1-CD2 4.05Å; I730-F735 HydrophobicContact CG1-CE2 3.66Å; I730-F735 HydrophobicContact CG1-CZ 4.45Å; P732-F735 WeakPolarHBondContact O-CB 3.24Å; P732-F735 PolarHBondContact O-N 3.2Å; F735-W738 HydrophobicContact CD1-CH2 4.31Å; F735-W738 HydrophobicContact CD1-CZ3 4.36Å
736	P	79.6	Confident	80.8	Confident	57 Å²	57	83.3 Å²	83.3	37%	0.37	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-57.9	147.9	168.9	-20.7	30.6	0	0	0	111.6	E538 W738	E538-P736 WeakPolarHBondContact OE1-CD 3.45Å; P736-W738 HydrophobicContact CB-CD2 4.42Å; P736-W738 HydrophobicContact CB-CH2 3.88Å; P736-W738 HydrophobicContact CB-CZ2 3.62Å; P736-W738 HydrophobicContact CB-CZ3 4.39Å; P736-W738 HydrophobicContact CG-CH2 3.9Å; P736-W738 HydrophobicContact CG-CZ2 3.74Å; P736-W738 WeakPolarHBondContact O-CZ3 3.48Å
737	T	77.9	Confident	78.4	Confident	104 Å²	104	82.9 Å²	82.9	64%	0.638	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-96.2	122.1	170	42.3	0	0	0	0	110.3	H572	H572-T737 HydrophobicContact CB-CG2 4Å; H572-T737 WeakPolarHBondContact O-CG2 3.3Å
738	W	79.7	Confident	76	Confident	52 Å²	52	88.7 Å²	88.7	20%	0.197	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-103.2	149.5	176.4	-61.8	-84.1	0	0	0	110.8	H521 L526 M530 F534 L570 H572 F735 P736 A740	H521-W738 PolarHBondContact CE1-O 2.92Å; H521-W738 PolarHBondContact NE2-O 3.49Å; H521-W738 VanDerWaalsContact NE2-O 3.1Å; L526-W738 HydrophobicContact CD1-CB 3.68Å; L526-W738 HydrophobicContact CD1-CD2 3.66Å; L526-W738 HydrophobicContact CD1-CE3 3.99Å; L526-W738 HydrophobicContact CD1-CG 3.52Å; L526-W738 HydrophobicContact CD2-CD2 4.3Å; L526-W738 HydrophobicContact CD2-CE3 3.82Å; L526-W738 HydrophobicContact CD2-CZ3 4.08Å; L526-W738 HydrophobicContact CG-CE3 4.5Å; M530-W738 HydrophobicContact SD-CD2 4.33Å; M530-W738 VanDerWaalsContact SD-CE2 3.51Å; M530-W738 HydrophobicContact SD-CH2 4.12Å; M530-W738 HydrophobicContact SD-CZ2 3.39Å; M530-W738 WeakPolarHBondContact SD-CZ2 3.36Å; F534-W738 HydrophobicContact CD1-CH2 4.38Å; F534-W738 AromaticContact CE1-CH2 3.73Å; F534-W738 HydrophobicContact CE1-CH2 3.73Å; F534-W738 HydrophobicContact CE1-CZ2 4.3Å; F534-W738 HydrophobicContact CE1-CZ3 4.35Å; L570-W738 HydrophobicContact CD2-CZ3 4.15Å; H572-W738 PolarHBondContact CD2-O 2.67Å; H572-W738 PolarHBondContact NE2-O 3.06Å; F735-W738 HydrophobicContact CD1-CH2 4.31Å; F735-W738 HydrophobicContact CD1-CZ3 4.36Å; P736-W738 HydrophobicContact CB-CD2 4.42Å; P736-W738 HydrophobicContact CB-CH2 3.88Å; P736-W738 HydrophobicContact CB-CZ2 3.62Å; P736-W738 HydrophobicContact CB-CZ3 4.39Å; P736-W738 HydrophobicContact CG-CH2 3.9Å; P736-W738 HydrophobicContact CG-CZ2 3.74Å; P736-W738 WeakPolarHBondContact O-CZ3 3.48Å; W738-A740 PolarHBondContact O-N 3.33Å
739	P	76.2	Confident	73.4	Confident	102 Å²	102	95.4 Å²	95.4	66%	0.662	47%	0.471	S	S	*	.			trans	-76	111.1	179.3	29.2	-33.6	0	0	0	111.4	K741 Q744	P739-K741 PolarHBondContact O-N 3.02Å; P739-Q744 PolarHBondContact O-NE2 3.42Å
740	A	74.8	Confident	70.9	Confident	3 Å²	3	96.5 Å²	96.5	3%	0.025	49%	0.489	C	S	.	.			trans	-58.2	123.1	-173.8	0	0	0	0	0	114.3	E520 H521 W738 S742 E743 Q744	E520-A740 HydrophobicContact CB-CB 3.94Å; E520-A740 WeakPolarHBondContact O-CB 3.07Å; H521-A740 WeakPolarHBondContact CE1-CA 3.4Å; H521-A740 PolarHBondContact CE1-N 3.18Å; W738-A740 PolarHBondContact O-N 3.33Å; A740-S742 PolarHBondContact O-N 3.44Å; A740-S742 VanDerWaalsContact O-N 3.08Å; A740-E743 HydrophobicContact CB-CB 4.11Å; A740-E743 HydrophobicContact CB-CG 3.77Å; A740-E743 PolarHBondContact O-N 3.1Å; A740-Q744 WeakPolarHBondContact O-CG 3.4Å; A740-Q744 PolarHBondContact O-N 3.32Å
741	K	74.4	Confident	68.6	Low	82 Å²	82	101 Å²	101	36%	0.357	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-30.9	176.7	-69.8	-171.6	-170.7	171.7	0	112.8	S525 E528 P739	S525-K741 WeakPolarHBondContact O-CE 3.25Å; S525-K741 PolarHBondContact O-NZ 2.96Å; S525-K741 PolarHBondContact OG-NZ 3.32Å; E528-K741 IonicContact OE2-NZ 2.7Å; P739-K741 PolarHBondContact O-N 3.02Å
742	S	69.8	Low	66.3	Low	16 Å²	16	101.8 Å²	101.8	11%	0.112	53%	0.531	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.7	-178.7	60.1	0	0	0	0	113.9	N442 Y518 E520 A740	N442-S742 PolarHBondContact ND2-O 3.04Å; Y518-S742 PolarHBondContact OH-OG 3.09Å; E520-S742 PolarHBondContact O-OG 3.2Å; E520-S742 VanDerWaalsContact O-OG 3.04Å; A740-S742 PolarHBondContact O-N 3.44Å; A740-S742 VanDerWaalsContact O-N 3.08Å
743	E	75.9	Confident	64.4	Low	78 Å²	78	105.8 Å²	105.8	36%	0.364	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.5	-25.4	175.6	-55.2	-164.4	130.9	0	0	112.8	R454 Y518 H572 A740 Q745	R454-E743 IonicContact CZ-OE1 3.15Å; R454-E743 IonicContact NE-OE1 3.97Å; R454-E743 PolarHBondContact NE-OE1 3.01Å; R454-E743 IonicContact NH2-OE1 2.7Å; R454-E743 PolarHBondContact NH2-OE1 3.23Å; Y518-E743 HydrophobicContact CE1-CG 4.48Å; Y518-E743 WeakPolarHBondContact OH-CG 3.5Å; H572-E743 IonicContact CE1-OE2 2.67Å; A740-E743 HydrophobicContact CB-CB 4.11Å; A740-E743 HydrophobicContact CB-CG 3.77Å; A740-E743 PolarHBondContact O-N 3.1Å; E743-Q745 PolarHBondContact O-N 3.43Å
744	Q	69.4	Low	62.7	Low	113 Å²	113	111.9 Å²	111.9	53%	0.528	57%	0.566	S	S	.	*	S	Bend	trans	-52.8	103.5	166.5	-71.7	172.4	32.4	0	0	109.2	P739 A740 R746	P739-Q744 PolarHBondContact O-NE2 3.42Å; A740-Q744 WeakPolarHBondContact O-CG 3.4Å; A740-Q744 PolarHBondContact O-N 3.32Å; Q744-R746 PolarHBondContact O-N 3.14Å; Q744-R746 VanDerWaalsContact O-N 3.13Å
745	Q	52.2	Low	60.9	Low	170 Å²	170	111.2 Å²	111.2	79%	0.794	57%	0.571	S	S	*	*			trans	-54.1	127	171.6	-72.5	-169.7	0.7	0	0	108.2	E743 V747	E743-Q745 PolarHBondContact O-N 3.43Å; Q745-V747 PolarHBondContact O-N 3.38Å
746	R	49.3	Very low	59.2	Low	247 Å²	247	116.6 Å²	116.6	93%	0.932	61%	0.607	S	S	*	*			trans	-63.2	81	155.1	-96.2	-176.5	158.6	-166.8	-4.2	107.2	Q744 K748	Q744-R746 PolarHBondContact O-N 3.14Å; Q744-R746 VanDerWaalsContact O-N 3.13Å; R746-K748 VanDerWaalsContact C-N 3.29Å; R746-K748 PolarHBondContact O-N 2.97Å
747	V	41.8	Very low	58	Low	110 Å²	110	123.4 Å²	123.4	67%	0.667	63%	0.634	S	S	*	*			trans	-52	105.2	159	178.1	0	0	0	0	104.2	Q745 R749	Q745-V747 PolarHBondContact O-N 3.38Å; V747-R749 VanDerWaalsContact C-N 3.3Å; V747-R749 PolarHBondContact O-N 3.17Å
748	K	45.1	Very low	56.7	Low	195 Å²	195	121.5 Å²	121.5	85%	0.848	64%	0.635	S	S	*	*			trans	-52.9	108.6	162	-69.1	178.7	-179.5	176.7	0	103.3	R746 G750	R746-K748 VanDerWaalsContact C-N 3.29Å; R746-K748 PolarHBondContact O-N 2.97Å; K748-G750 VanDerWaalsContact C-N 3.29Å; K748-G750 PolarHBondContact O-N 3.28Å
749	R	41.1	Very low	55	Low	240 Å²	240	122.7 Å²	122.7	91%	0.906	66%	0.664	S	S	*	*			trans	-54.1	107.3	170.5	-79.2	-174.2	176.2	-177.8	-1.4	104.3	V747 T751	V747-R749 VanDerWaalsContact C-N 3.3Å; V747-R749 PolarHBondContact O-N 3.17Å; R749-T751 PolarHBondContact O-N 2.9Å
750	G	41.7	Very low	53.6	Low	63 Å²	63	126.3 Å²	126.3	65%	0.649	68%	0.676	S	S	*	*			trans	-52.1	133.9	177.6	0	0	0	0	0	106.2	K748 S752	K748-G750 VanDerWaalsContact C-N 3.29Å; K748-G750 PolarHBondContact O-N 3.28Å; G750-S752 PolarHBondContact O-N 3.16Å
751	T	47.4	Very low	52.1	Low	139 Å²	139	129.2 Å²	129.2	85%	0.853	71%	0.706	S	S	*	*			trans	-47.5	114	166.8	42.3	0	0	0	0	106.1	R749	R749-T751 PolarHBondContact O-N 2.9Å
752	S	42.9	Very low	50.6	Low	102 Å²	102	134.5 Å²	134.5	71%	0.713	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-47.5	132.8	-172.9	-175.2	0	0	0	0	108	G750 R754	G750-S752 PolarHBondContact O-N 3.16Å; S752-R754 PolarHBondContact O-N 3.08Å; S752-R754 VanDerWaalsContact O-N 3.07Å
753	P	51.8	Low	49.3	Very low	116 Å²	116	139.3 Å²	139.3	75%	0.753	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-46.2	124.6	179.9	-28.6	34.9	0	0	0	108.9
754	R	52.6	Low	47.7	Very low	224 Å²	224	144.4 Å²	144.4	85%	0.845	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-56.3	131.4	179.4	-74.2	-173.5	177	-170.3	-0.3	107	S752	S752-R754 PolarHBondContact O-N 3.08Å; S752-R754 VanDerWaalsContact O-N 3.07Å
755	P	47.8	Very low	46.2	Very low	110 Å²	110	145.3 Å²	145.3	71%	0.714	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-57.8	143.7	175.1	25.9	-33.7	0	0	0	108.8	E757	P755-E757 PolarHBondContact O-N 3.09Å
756	P	51.3	Low	45.3	Very low	126 Å²	126	140.8 Å²	140.8	82%	0.818	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-56	138.1	-178.6	-26.3	34.8	0	0	0	112.3	G758	P756-G758 PolarHBondContact O-N 2.67Å
757	E	54.2	Low	45	Very low	199 Å²	199	137.1 Å²	137.1	93%	0.93	79%	0.789	S	S	*	*	S	Bend	trans	-73.4	79.9	174.1	-70.1	177.8	155	0	0	109.7	P755	P755-E757 PolarHBondContact O-N 3.09Å
758	G	52.1	Low	44.8	Very low	65 Å²	65	139 Å²	139	67%	0.67	80%	0.795	S	S	*	*			trans	-139.7	16.3	-177.8	0	0	0	0	0	114.3	P756 L760	P756-G758 PolarHBondContact O-N 2.67Å; G758-L760 VanDerWaalsContact C-N 3.32Å; G758-L760 PolarHBondContact O-N 3.41Å
759	G	44.2	Very low	44.4	Very low	77 Å²	77	136.7 Å²	136.7	79%	0.794	79%	0.792	S	S	*	*			trans	-82.9	15.9	-171	0	0	0	0	0	116.9
760	L	45	Very low	44.1	Very low	178 Å²	178	133.3 Å²	133.3	93%	0.932	79%	0.791	S	S	*	*	S	Bend	trans	-108.9	27.1	-172.9	-66.3	176.3	0	0	0	113.9	G758	G758-L760 VanDerWaalsContact C-N 3.32Å; G758-L760 PolarHBondContact O-N 3.41Å
761	G	43.8	Very low	43.9	Very low	63 Å²	63	139.4 Å²	139.4	65%	0.649	80%	0.799	S	S	*	*	S	Bend	trans	-125	11	-174.9	0	0	0	0	0	116.4
762	Y	43.9	Very low	43.3	Very low	194 Å²	194	141.5 Å²	141.5	76%	0.761	80%	0.799	S	S	*	*			trans	-128.3	18.4	-172.2	-115.3	-85.8	0	0	0	115.8	L765	Y762-L765 HydrophobicContact CE1-CD1 3.96Å
763	S	41.3	Very low	42.9	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	81%	0.805	S	S	*	*	S	Bend	trans	-99.1	24.8	172	56.5	0	0	0	0	112.8
764	Q	42.3	Very low	41.8	Very low	186 Å²	186	141.4 Å²	141.4	87%	0.869	81%	0.809	S	S	*	*	S	Bend	trans	-147.3	25.3	-172.2	-132	174	29	0	0	114.8
765	L	38.3	Very low	40.7	Very low	131 Å²	131	140.5 Å²	140.5	69%	0.686	81%	0.811	S	S	*	*	S	Bend	trans	-115.4	123.9	161.4	-72.7	172.5	0	0	0	107.9	Y762	Y762-L765 HydrophobicContact CE1-CD1 3.96Å
766	G	33.3	Very low	39.8	Very low	76 Å²	76	143.3 Å²	143.3	78%	0.784	82%	0.815	S	S	*	*			trans	-77.9	158.3	-175.5	0	0	0	0	0	113.3	D768	G766-D768 PolarHBondContact O-N 2.78Å
767	D	43.8	Very low	38.7	Very low	170 Å²	170	145.4 Å²	145.4	91%	0.909	82%	0.818	S	S	*	*	S	Bend	trans	-87.4	82	175.5	-171.5	28	0	0	0	109.9
768	D	37.9	Very low	37.6	Very low	150 Å²	150	141.5 Å²	141.5	80%	0.802	81%	0.808	S	S	*	*			trans	-159.8	156.8	159.3	-115.1	-33.1	0	0	0	111.8	G766	G766-D768 PolarHBondContact O-N 2.78Å
769	D	34.8	Very low	36.7	Very low	146 Å²	146	144.8 Å²	144.8	78%	0.781	82%	0.815	S	S	*	*			trans	47.8	96.6	176.3	-77.5	-30.2	0	0	0	119
770	L	35.9	Very low	36.1	Very low	169 Å²	169	148 Å²	148	89%	0.885	82%	0.819	S	S	*	*				-168.5	123.2	105	-100.6	161.5	0	0	0	112.4
771	K	36.3	Very low	35.5	Very low	190 Å²	190	146.8 Å²	146.8	83%	0.826	81%	0.814	S	S	*	*			trans	-96.3	166.9	160.9	-70.4	168.3	-174	151.4	0	108.8
772	E	35.8	Very low	35	Very low	183 Å²	183	153.4 Å²	153.4	86%	0.855	83%	0.828	S	S	*	*			trans	63.9	92	176.2	-55.5	-164	125.5	0	0	116.4
773	T	35.1	Very low	34.3	Very low	136 Å²	136	147.5 Å²	147.5	83%	0.834	83%	0.827	S	S	*	*				-164.1	98.1	128.7	11	0	0	0	0	109.5
774	G	28.3	Very low	33.9	Very low	81 Å²	81	146.5 Å²	146.5	84%	0.835	83%	0.826	S	S	*	*			trans	-84.7	124.4	168.8	0	0	0	0	0	109.9
775	F	28.8	Very low	33.5	Very low	204 Å²	204	143.6 Å²	143.6	90%	0.895	83%	0.826	S	S	*	*			trans	-99.5	136.4	170.4	-109.1	-93.1	0	0	0	111.7
776	H	29.5	Very low	33.2	Very low	170 Å²	170	142.2 Å²	142.2	79%	0.787	83%	0.833	S	S	*	*			trans	-105	128.9	-166.9	-154.4	64	0	0	0	109.7
777	L	28.1	Very low	33.2	Very low	169 Å²	169	143.6 Å²	143.6	89%	0.885	84%	0.837	S	S	*	*			trans	-99.8	105.4	177.8	-165.1	73.4	0	0	0	109.7
778	T	31.2	Very low	32.7	Very low	118 Å²	118	138.8 Å²	138.8	72%	0.724	83%	0.828	S	S	*	*			trans	-77.4	145.3	176.7	42.9	0	0	0	0	111.6
779	T	33.1	Very low	32.6	Very low	133 Å²	133	138.3 Å²	138.3	82%	0.816	83%	0.833	S	S	*	*			trans	-101.8	135.2	179.3	48	0	0	0	0	111.9
780	T	31.3	Very low	32.4	Very low	144 Å²	144	134.7 Å²	134.7	88%	0.883	83%	0.83	S	S	*	*			trans	-144.9	147.9	160.7	11.5	0	0	0	0	109.7
781	N	31.8	Very low	32.2	Very low	154 Å²	154	136.7 Å²	136.7	82%	0.824	83%	0.832	S	S	*	*			trans	-100.8	175.1	-169.4	-79.4	-36.8	0	0	0	113
782	Q	33.8	Very low	31.9	Very low	201 Å²	201	132.8 Å²	132.8	94%	0.939	83%	0.828	S	S	*	*			trans	83.2	127.7	172.3	-48.9	175.2	11.7	0	0	114.5
783	G	30.3	Very low	31.7	Very low	71 Å²	71	131.2 Å²	131.2	73%	0.732	83%	0.825	S	S	*	*			cis	177.4	165.4	-7	0	0	0	0	0	113
784	A	32.3	Very low	31.7	Very low	95 Å²	95	134.3 Å²	134.3	79%	0.785	83%	0.827	S	S	*	*			trans	61	112.6	178.9	0	0	0	0	0	116.2
785	S	34.4	Very low	32	Very low	125 Å²	125	143.8 Å²	143.8	87%	0.874	85%	0.846	S	S	*	*				77	129.1	67.6	-65.2	0	0	0	0	114.1
786	A	32	Very low	32.1	Very low	101 Å²	101	140.8 Å²	140.8	84%	0.835	84%	0.843	S	S	*	*			cis	-163	145	-10.7	0	0	0	0	0	111
787	A	32.3	Very low	32.3	Very low	105 Å²	105	139.3 Å²	139.3	87%	0.868	85%	0.846	S	S	*	*			trans	-159.5	128.2	168.1	0	0	0	0	0	113.1
788	G	33.1	Very low	32.5	Very low	70 Å²	70	137.6 Å²	137.6	72%	0.722	84%	0.844	S	S	*	*			trans	79.9	103.9	157.9	0	0	0	0	0	118.7	G790	G788-G790 PolarHBondContact O-N 2.74Å; G788-G790 VanDerWaalsContact O-N 3.09Å
789	P	36.1	Very low	32.6	Very low	139 Å²	139	138.8 Å²	138.8	90%	0.903	85%	0.851	S	S	*	*			trans	-78.8	88.2	169.2	31.8	-33.1	0	0	0	112
790	G	30.5	Very low	32.5	Very low	70 Å²	70	139.1 Å²	139.1	72%	0.722	85%	0.854	S	S	*	*			trans	-82.9	150.9	168.8	0	0	0	0	0	113.1	G788	G788-G790 PolarHBondContact O-N 2.74Å; G788-G790 VanDerWaalsContact O-N 3.09Å
791	F	31.3	Very low	32.6	Very low	212 Å²	212	138.8 Å²	138.8	93%	0.93	85%	0.852	S	S	*	*			trans	-66.8	143.7	-179.3	-81.5	-106.5	0	0	0	113.1
792	S	31.5	Very low	32.7	Very low	107 Å²	107	137.7 Å²	137.7	75%	0.748	85%	0.854	S	S	*	*			trans	-116.3	126	166.4	175.9	0	0	0	0	110
793	L	30.8	Very low	32.6	Very low	151 Å²	151	132.8 Å²	132.8	79%	0.791	85%	0.847	S	S	*	*			trans	-88.8	144.2	157.9	-79.8	90.5	0	0	0	109
794	K	35.3	Very low	32.8	Very low	200 Å²	200	138 Å²	138	87%	0.87	86%	0.857	S	S	*	*			trans	-95.3	142.3	158.5	-71.5	-174.8	175.8	-179.3	0	109.3
795	F	34	Very low	32.8	Very low	281 Å²	281	141.9 Å²	141.9	100%	1.232	86%	0.863	S	S	*	*			trans	-79.2	0	167	-72.4	-95.6	0	0	0	110.5

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