A0A087XM40_POEFO Loading...

Angiogenic factor with G patch and FHA domains 1

AlphaFold DB , UniProt , Accession A0A087XM40, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 752 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	55.1	Low	58.1	Low	185 Å²	185	134.5 Å²	134.5	91%	0.911	65%	0.648	S	S	*	*				0	-76.6	0	-130.3	165.3	-162.9	0	0	110.1	E3 E4 E5	M1-E3 PolarHBondContact O-N 3.17Å; M1-E4 PolarHBondContact N-OE2 3.41Å; M1-E4 WeakPolarHBondContact O-CA 3.48Å; M1-E4 WeakPolarHBondContact O-CB 3.46Å; M1-E4 PolarHBondContact O-N 3.03Å; M1-E5 PolarHBondContact O-N 3.02Å
2	E	54.8	Low	58.8	Low	169 Å²	169	132 Å²	132	79%	0.79	64%	0.641	S	S	*	*	H	α-helix	trans	-56	-49.8	175.7	-66.1	168.6	142.1	0	0	111.9	E4 E5 E6	E2-E4 PolarHBondContact O-N 3.06Å; E2-E5 PolarHBondContact O-N 3.2Å; E2-E6 PolarHBondContact O-N 2.96Å
3	E	54.7	Low	59.7	Low	167 Å²	167	126.3 Å²	126.3	78%	0.78	62%	0.623	S	S	*	*	H	α-helix	trans	-59.3	-18.6	173.8	-63.2	-179.1	145	0	0	114.7	M1 A7	M1-E3 PolarHBondContact O-N 3.17Å; E3-A7 VanDerWaalsContact O-CB 3.24Å; E3-A7 WeakPolarHBondContact O-CB 3.31Å; E3-A7 PolarHBondContact O-N 2.93Å
4	E	56.1	Low	60.8	Low	132 Å²	132	127.6 Å²	127.6	62%	0.617	63%	0.627	S	S	*	*	H	α-helix	trans	-92.5	-16.5	177.3	-71.5	178.1	108.3	0	0	113.1	M1 E2 R8	M1-E4 PolarHBondContact N-OE2 3.41Å; M1-E4 WeakPolarHBondContact O-CA 3.48Å; M1-E4 WeakPolarHBondContact O-CB 3.46Å; M1-E4 PolarHBondContact O-N 3.03Å; E2-E4 PolarHBondContact O-N 3.06Å; E4-R8 WeakPolarHBondContact O-CD 3.47Å; E4-R8 VanDerWaalsContact O-CG 3.31Å; E4-R8 WeakPolarHBondContact O-CG 3.47Å
5	E	57.4	Low	62	Low	152 Å²	152	123.7 Å²	123.7	71%	0.71	62%	0.616	S	S	*	*	H	α-helix	trans	-85.7	-43.7	172.1	-68.2	-164	129.3	0	0	111.1	M1 E2 A7 R8 G9	M1-E5 PolarHBondContact O-N 3.02Å; E2-E5 PolarHBondContact O-N 3.2Å; E5-A7 VanDerWaalsContact C-N 3.33Å; E5-A7 PolarHBondContact O-N 3.42Å; E5-R8 WeakPolarHBondContact O-CB 3.24Å; E5-R8 PolarHBondContact O-N 3.19Å; E5-G9 PolarHBondContact O-N 3.26Å
6	E	57.9	Low	63.5	Low	149 Å²	149	124.2 Å²	124.2	70%	0.696	62%	0.616	S	S	*	*	H	α-helix	trans	-58.3	-46	172.7	-69.7	-169	130.8	0	0	111.2	E2 R8 G9 E10	E2-E6 PolarHBondContact O-N 2.96Å; E6-R8 PolarHBondContact O-N 2.73Å; E6-R8 VanDerWaalsContact O-N 3.09Å; E6-G9 PolarHBondContact O-N 3.06Å; E6-E10 PolarHBondContact O-N 2.66Å
7	A	59.2	Low	64.9	Low	36 Å²	36	120.6 Å²	120.6	30%	0.298	60%	0.602	S	S	.	*	H	α-helix	trans	-69.5	-2.9	177.2	0	0	0	0	0	114.4	E3 E5 K11	E3-A7 VanDerWaalsContact O-CB 3.24Å; E3-A7 WeakPolarHBondContact O-CB 3.31Å; E3-A7 PolarHBondContact O-N 2.93Å; E5-A7 VanDerWaalsContact C-N 3.33Å; E5-A7 PolarHBondContact O-N 3.42Å; A7-K11 PolarHBondContact O-NZ 3.29Å
8	R	59.3	Low	66.2	Low	173 Å²	173	116.5 Å²	116.5	65%	0.653	59%	0.59	S	S	*	*	H	α-helix	trans	-95.7	-49.1	165	-76.7	171.8	176.8	-84.1	0.1	110.8	E4 E5 E6 E10 K11 D12	E4-R8 WeakPolarHBondContact O-CD 3.47Å; E4-R8 VanDerWaalsContact O-CG 3.31Å; E4-R8 WeakPolarHBondContact O-CG 3.47Å; E5-R8 WeakPolarHBondContact O-CB 3.24Å; E5-R8 PolarHBondContact O-N 3.19Å; E6-R8 PolarHBondContact O-N 2.73Å; E6-R8 VanDerWaalsContact O-N 3.09Å; R8-E10 VanDerWaalsContact C-N 3.3Å; R8-E10 PolarHBondContact O-N 3.5Å; R8-K11 PolarHBondContact O-N 3.1Å; R8-D12 PolarHBondContact O-N 3.21Å
9	G	61.1	Low	67.4	Low	43 Å²	43	117.3 Å²	117.3	44%	0.443	59%	0.592	S	S	.	*	H	α-helix	trans	-54	-41.7	179.4	0	0	0	0	0	113.7	E5 E6 S13	E5-G9 PolarHBondContact O-N 3.26Å; E6-G9 PolarHBondContact O-N 3.06Å; G9-S13 WeakPolarHBondContact O-CB 3.34Å; G9-S13 PolarHBondContact O-N 3.09Å; G9-S13 VanDerWaalsContact O-N 3.1Å
10	E	61.3	Low	68.7	Low	142 Å²	142	117.2 Å²	117.2	66%	0.664	59%	0.592	S	S	*	*	H	α-helix	trans	-60.2	-47	173.4	-76.6	-164.7	131.7	0	0	112.1	E6 R8 D12 S13 E14	E6-E10 PolarHBondContact O-N 2.66Å; R8-E10 VanDerWaalsContact C-N 3.3Å; R8-E10 PolarHBondContact O-N 3.5Å; E10-D12 PolarHBondContact O-N 3.06Å; E10-S13 PolarHBondContact O-N 3.46Å; E10-S13 PolarHBondContact O-OG 3.02Å; E10-E14 PolarHBondContact O-N 3.01Å
11	K	62.1	Low	69.8	Low	131 Å²	131	119.6 Å²	119.6	57%	0.57	59%	0.594	S	S	*	*	H	α-helix	trans	-66.6	-39.2	-176.5	-65.8	-172.3	-177.5	78.6	0	112.7	A7 R8 S13 E14 C15	A7-K11 PolarHBondContact O-NZ 3.29Å; R8-K11 PolarHBondContact O-N 3.1Å; K11-S13 VanDerWaalsContact C-N 3.32Å; K11-E14 PolarHBondContact O-N 3.38Å; K11-C15 WeakPolarHBondContact O-CB 3.42Å; K11-C15 PolarHBondContact O-N 3.5Å
12	D	66.4	Low	71.7	Confident	105 Å²	105	116.4 Å²	116.4	56%	0.561	58%	0.58	S	S	*	*	H	α-helix	trans	-65.8	-39.8	176.7	-63.1	-27.5	0	0	0	109.7	R8 E10 C15 E16	R8-D12 PolarHBondContact O-N 3.21Å; E10-D12 PolarHBondContact O-N 3.06Å; D12-C15 VanDerWaalsContact O-CB 3.31Å; D12-C15 WeakPolarHBondContact O-CB 3.3Å; D12-C15 PolarHBondContact O-N 3.23Å; D12-E16 PolarHBondContact O-N 3.33Å
13	S	70.3	Confident	73.6	Confident	58 Å²	58	114.2 Å²	114.2	41%	0.406	57%	0.565	S	S	.	*	H	α-helix	trans	-67.5	-36.6	174.1	81.3	0	0	0	0	114.1	G9 E10 K11 C15 E16 V17	G9-S13 WeakPolarHBondContact O-CB 3.34Å; G9-S13 PolarHBondContact O-N 3.09Å; G9-S13 VanDerWaalsContact O-N 3.1Å; E10-S13 PolarHBondContact O-N 3.46Å; E10-S13 PolarHBondContact O-OG 3.02Å; K11-S13 VanDerWaalsContact C-N 3.32Å; S13-C15 VanDerWaalsContact C-N 3.27Å; S13-C15 PolarHBondContact O-N 3.04Å; S13-E16 PolarHBondContact O-N 3.23Å; S13-V17 WeakPolarHBondContact O-CB 3.31Å; S13-V17 VanDerWaalsContact O-CG2 3.3Å; S13-V17 WeakPolarHBondContact O-CG2 3.39Å; S13-V17 PolarHBondContact O-N 3.48Å
14	E	75.4	Confident	75.5	Confident	144 Å²	144	109.5 Å²	109.5	67%	0.673	55%	0.547	S	S	*	.	H	α-helix	trans	-64.9	-34.3	172.5	-74	-160.1	129.2	0	0	111.6	E10 K11 A18	E10-E14 PolarHBondContact O-N 3.01Å; K11-E14 PolarHBondContact O-N 3.38Å; E14-A18 WeakPolarHBondContact O-CB 3.19Å; E14-A18 PolarHBondContact O-N 2.88Å
15	C	78.8	Confident	77.4	Confident	70 Å²	70	109.2 Å²	109.2	47%	0.473	55%	0.546	S	S	.	.	H	α-helix	trans	-65.8	-51.2	175.8	-158.9	0	0	0	0	111.4	K11 D12 S13 V17 A18 E19	K11-C15 WeakPolarHBondContact O-CB 3.42Å; K11-C15 PolarHBondContact O-N 3.5Å; D12-C15 VanDerWaalsContact O-CB 3.31Å; D12-C15 WeakPolarHBondContact O-CB 3.3Å; D12-C15 PolarHBondContact O-N 3.23Å; S13-C15 VanDerWaalsContact C-N 3.27Å; S13-C15 PolarHBondContact O-N 3.04Å; C15-V17 VanDerWaalsContact C-N 3.29Å; C15-V17 PolarHBondContact O-N 2.99Å; C15-A18 WeakPolarHBondContact O-CA 3.45Å; C15-A18 WeakPolarHBondContact O-CB 3.47Å; C15-A18 PolarHBondContact O-N 2.73Å; C15-E19 PolarHBondContact O-N 3.06Å
16	E	85.4	Confident	79.3	Confident	131 Å²	131	104.5 Å²	104.5	61%	0.612	53%	0.53	S	S	*	.	H	α-helix	trans	-56.5	-43	175.3	-70.2	-173.5	167.7	0	0	111.9	D12 S13 A18 E19 L20	D12-E16 PolarHBondContact O-N 3.33Å; S13-E16 PolarHBondContact O-N 3.23Å; E16-A18 VanDerWaalsContact C-N 3.29Å; E16-A18 PolarHBondContact O-N 2.73Å; E16-E19 PolarHBondContact O-N 2.96Å; E16-L20 WeakPolarHBondContact O-CB 3.35Å; E16-L20 VanDerWaalsContact O-CG 3.31Å; E16-L20 WeakPolarHBondContact O-CG 3.16Å; E16-L20 PolarHBondContact O-N 3.47Å
17	V	88.6	Confident	81.1	Confident	63 Å²	63	100.9 Å²	100.9	38%	0.382	52%	0.515	S	S	.	.	H	α-helix	trans	-65.5	-31.2	177	169.3	0	0	0	0	112	S13 C15 R21	S13-V17 WeakPolarHBondContact O-CB 3.31Å; S13-V17 VanDerWaalsContact O-CG2 3.3Å; S13-V17 WeakPolarHBondContact O-CG2 3.39Å; S13-V17 PolarHBondContact O-N 3.48Å; C15-V17 VanDerWaalsContact C-N 3.29Å; C15-V17 PolarHBondContact O-N 2.99Å; V17-R21 WeakPolarHBondContact O-CD 3.31Å; V17-R21 WeakPolarHBondContact O-CG 3.48Å; V17-R21 PolarHBondContact O-N 2.97Å
18	A	87.7	Confident	82.9	Confident	47 Å²	47	104.5 Å²	104.5	39%	0.388	52%	0.524	S	S	.	.	H	α-helix	trans	-71.3	-43.9	173.1	0	0	0	0	0	112.2	E14 C15 E16 R21 L22	E14-A18 WeakPolarHBondContact O-CB 3.19Å; E14-A18 PolarHBondContact O-N 2.88Å; C15-A18 WeakPolarHBondContact O-CA 3.45Å; C15-A18 WeakPolarHBondContact O-CB 3.47Å; C15-A18 PolarHBondContact O-N 2.73Å; E16-A18 VanDerWaalsContact C-N 3.29Å; E16-A18 PolarHBondContact O-N 2.73Å; A18-R21 WeakPolarHBondContact O-CB 3.28Å; A18-R21 PolarHBondContact O-N 3.25Å; A18-L22 PolarHBondContact O-N 2.89Å
19	E	89.8	Confident	84.6	Confident	132 Å²	132	101.6 Å²	101.6	62%	0.617	52%	0.518	S	S	*	.	H	α-helix	trans	-62.6	-43.6	176.2	-68.1	-167.2	170.9	0	0	112.1	C15 E16 R21 L22 R23	C15-E19 PolarHBondContact O-N 3.06Å; E16-E19 PolarHBondContact O-N 2.96Å; E19-R21 VanDerWaalsContact C-N 3.31Å; E19-R21 PolarHBondContact O-N 2.93Å; E19-L22 PolarHBondContact O-N 3.48Å; E19-R23 PolarHBondContact O-N 3.29Å
20	L	91.9	Very high	86.3	Confident	114 Å²	114	103 Å²	103	60%	0.597	51%	0.513	S	S	*	.	H	α-helix	trans	-61.2	-37.9	175.2	-72.6	171.8	0	0	0	112.1	E16 R23 V24	E16-L20 WeakPolarHBondContact O-CB 3.35Å; E16-L20 VanDerWaalsContact O-CG 3.31Å; E16-L20 WeakPolarHBondContact O-CG 3.16Å; E16-L20 PolarHBondContact O-N 3.47Å; L20-R23 PolarHBondContact O-N 3.38Å; L20-V24 WeakPolarHBondContact O-CB 3.37Å; L20-V24 VanDerWaalsContact O-CG2 3.28Å; L20-V24 WeakPolarHBondContact O-CG2 3.5Å; L20-V24 PolarHBondContact O-N 3.39Å
21	R	93.5	Very high	88	Confident	168 Å²	168	101 Å²	101	63%	0.634	51%	0.506	S	S	*	.	H	α-helix	trans	-63.4	-45.8	173.7	-74	165.4	-173.8	175	5.7	111.3	V17 A18 E19 V24 E25	V17-R21 WeakPolarHBondContact O-CD 3.31Å; V17-R21 WeakPolarHBondContact O-CG 3.48Å; V17-R21 PolarHBondContact O-N 2.97Å; A18-R21 WeakPolarHBondContact O-CB 3.28Å; A18-R21 PolarHBondContact O-N 3.25Å; E19-R21 VanDerWaalsContact C-N 3.31Å; E19-R21 PolarHBondContact O-N 2.93Å; R21-V24 PolarHBondContact O-N 3.01Å; R21-E25 WeakPolarHBondContact O-CG 3.48Å; R21-E25 PolarHBondContact O-N 3.05Å
22	L	93.8	Very high	89.7	Confident	119 Å²	119	101.5 Å²	101.5	62%	0.623	51%	0.508	S	S	*	.	H	α-helix	trans	-61.8	-43.1	176.3	-70.9	171.6	0	0	0	112.2	A18 E19 V24 E25 S26	A18-L22 PolarHBondContact O-N 2.89Å; E19-L22 PolarHBondContact O-N 3.48Å; L22-V24 PolarHBondContact O-N 2.95Å; L22-E25 PolarHBondContact O-N 3.38Å; L22-S26 PolarHBondContact O-N 2.98Å
23	R	94.1	Very high	91.2	Very high	122 Å²	122	101.3 Å²	101.3	46%	0.46	50%	0.504	S	S	.	.	H	α-helix	trans	-65.3	-38.9	176.4	-169.1	71.3	-165.1	110.9	3	111.7	E19 L20 E25 S26 L27 E30	E19-R23 PolarHBondContact O-N 3.29Å; L20-R23 PolarHBondContact O-N 3.38Å; R23-E25 VanDerWaalsContact C-N 3.32Å; R23-E25 PolarHBondContact O-N 3.18Å; R23-S26 PolarHBondContact NH1-OG 3.22Å; R23-S26 PolarHBondContact O-N 3.3Å; R23-L27 HydrophobicContact CG-CD1 4.2Å; R23-L27 WeakPolarHBondContact O-CB 3.3Å; R23-L27 VanDerWaalsContact O-CG 3.3Å; R23-L27 WeakPolarHBondContact O-CG 3.32Å; R23-L27 PolarHBondContact O-N 2.92Å; R23-E30 IonicContact CZ-OE1 2.73Å; R23-E30 IonicContact NH1-OE1 3.85Å; R23-E30 PolarHBondContact NH1-OE1 3.01Å; R23-E30 IonicContact NH2-OE1 3.53Å; R23-E30 PolarHBondContact NH2-OE1 2.96Å; R23-E30 IonicContact NH2-OE2 2.73Å
24	V	96.2	Very high	92.4	Very high	69 Å²	69	101.7 Å²	101.7	42%	0.418	51%	0.506	S	S	.	.	H	α-helix	trans	-64.1	-34.3	173.6	164.3	0	0	0	0	112.2	L20 R21 L22 K28	L20-V24 WeakPolarHBondContact O-CB 3.37Å; L20-V24 VanDerWaalsContact O-CG2 3.28Å; L20-V24 WeakPolarHBondContact O-CG2 3.5Å; L20-V24 PolarHBondContact O-N 3.39Å; R21-V24 PolarHBondContact O-N 3.01Å; L22-V24 PolarHBondContact O-N 2.95Å; V24-K28 HydrophobicContact CG1-CD 4.08Å; V24-K28 VanDerWaalsContact CG1-CE 3.43Å; V24-K28 WeakPolarHBondContact O-CB 3.44Å; V24-K28 WeakPolarHBondContact O-CD 3.48Å; V24-K28 WeakPolarHBondContact O-CG 3.39Å; V24-K28 PolarHBondContact O-N 3.21Å
25	E	95.9	Very high	93.5	Very high	125 Å²	125	103.1 Å²	103.1	58%	0.584	51%	0.505	S	S	*	.	H	α-helix	trans	-72.7	-39.2	174.5	-72.1	-171.1	168	0	0	112.7	R21 L22 R23 K28 Q29	R21-E25 WeakPolarHBondContact O-CG 3.48Å; R21-E25 PolarHBondContact O-N 3.05Å; L22-E25 PolarHBondContact O-N 3.38Å; R23-E25 VanDerWaalsContact C-N 3.32Å; R23-E25 PolarHBondContact O-N 3.18Å; E25-K28 CarbonylContact O-C 3.59Å; E25-K28 WeakPolarHBondContact O-CB 3.3Å; E25-K28 PolarHBondContact O-N 2.87Å; E25-Q29 PolarHBondContact O-N 3.36Å
26	S	96.4	Very high	94.3	Very high	54 Å²	54	102.5 Å²	102.5	38%	0.378	51%	0.505	S	S	.	.	H	α-helix	trans	-58.9	-51.1	171.6	-166.9	0	0	0	0	111.6	L22 R23 K28 Q29 E30	L22-S26 PolarHBondContact O-N 2.98Å; R23-S26 PolarHBondContact NH1-OG 3.22Å; R23-S26 PolarHBondContact O-N 3.3Å; S26-K28 VanDerWaalsContact C-N 3.27Å; S26-K28 PolarHBondContact O-N 2.88Å; S26-Q29 CarbonylContact O-C 3.59Å; S26-Q29 WeakPolarHBondContact O-CA 3.12Å; S26-Q29 WeakPolarHBondContact O-CB 3.24Å; S26-Q29 PolarHBondContact O-N 3.27Å; S26-E30 VanDerWaalsContact C-OE1 3.32Å; S26-E30 WeakPolarHBondContact O-CG 3.37Å; S26-E30 PolarHBondContact O-N 3.23Å; S26-E30 PolarHBondContact OG-OE1 2.94Å
27	L	95.6	Very high	94.9	Very high	72 Å²	72	101.6 Å²	101.6	38%	0.377	50%	0.501	S	S	.	.	H	α-helix	trans	-59.9	-33.6	174.9	-70.5	166.5	0	0	0	112.9	R23 Q29 L31	R23-L27 HydrophobicContact CG-CD1 4.2Å; R23-L27 WeakPolarHBondContact O-CB 3.3Å; R23-L27 VanDerWaalsContact O-CG 3.3Å; R23-L27 WeakPolarHBondContact O-CG 3.32Å; R23-L27 PolarHBondContact O-N 2.92Å; L27-Q29 VanDerWaalsContact C-N 3.31Å; L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 VanDerWaalsContact O-CG 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 3.04Å
28	K	96.5	Very high	95.3	Very high	113 Å²	113	104 Å²	104	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-72.3	-19.9	172.7	-76.4	165.5	-175.9	167.4	0	113.4	V24 E25 S26 K32	V24-K28 HydrophobicContact CG1-CD 4.08Å; V24-K28 VanDerWaalsContact CG1-CE 3.43Å; V24-K28 WeakPolarHBondContact O-CB 3.44Å; V24-K28 WeakPolarHBondContact O-CD 3.48Å; V24-K28 WeakPolarHBondContact O-CG 3.39Å; V24-K28 PolarHBondContact O-N 3.21Å; E25-K28 CarbonylContact O-C 3.59Å; E25-K28 WeakPolarHBondContact O-CB 3.3Å; E25-K28 PolarHBondContact O-N 2.87Å; S26-K28 VanDerWaalsContact C-N 3.27Å; S26-K28 PolarHBondContact O-N 2.88Å; K28-K32 VanDerWaalsContact O-CD 3.23Å; K28-K32 WeakPolarHBondContact O-CD 3.47Å; K28-K32 WeakPolarHBondContact O-CE 3.41Å; K28-K32 VanDerWaalsContact O-CG 3.24Å; K28-K32 WeakPolarHBondContact O-CG 3.23Å
29	Q	96.4	Very high	95.8	Very high	112 Å²	112	104.8 Å²	104.8	52%	0.523	51%	0.511	S	S	.	.	H	α-helix	trans	-84	-49.5	170.7	178.6	169.1	-23.5	0	0	110.5	E25 S26 L27 L31 K32 E33	E25-Q29 PolarHBondContact O-N 3.36Å; S26-Q29 CarbonylContact O-C 3.59Å; S26-Q29 WeakPolarHBondContact O-CA 3.12Å; S26-Q29 WeakPolarHBondContact O-CB 3.24Å; S26-Q29 PolarHBondContact O-N 3.27Å; L27-Q29 VanDerWaalsContact C-N 3.31Å; Q29-L31 VanDerWaalsContact C-N 3.28Å; Q29-L31 PolarHBondContact O-N 2.79Å; Q29-K32 WeakPolarHBondContact O-CA 3.44Å; Q29-K32 WeakPolarHBondContact O-CB 3.2Å; Q29-K32 PolarHBondContact O-N 3.47Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.28Å; Q29-E33 PolarHBondContact NE2-OE1 3.49Å; Q29-E33 PolarHBondContact O-N 3.32Å
30	E	96.7	Very high	96.1	Very high	71 Å²	71	104.5 Å²	104.5	33%	0.332	51%	0.507	S	S	.	.	H	α-helix	trans	-48.5	-50.1	173.2	-67	162.6	-128.3	0	0	110.5	R23 S26 K32 E33 C34	R23-E30 IonicContact CZ-OE1 2.73Å; R23-E30 IonicContact NH1-OE1 3.85Å; R23-E30 PolarHBondContact NH1-OE1 3.01Å; R23-E30 IonicContact NH2-OE1 3.53Å; R23-E30 PolarHBondContact NH2-OE1 2.96Å; R23-E30 IonicContact NH2-OE2 2.73Å; S26-E30 VanDerWaalsContact C-OE1 3.32Å; S26-E30 WeakPolarHBondContact O-CG 3.37Å; S26-E30 PolarHBondContact O-N 3.23Å; S26-E30 PolarHBondContact OG-OE1 2.94Å; E30-K32 VanDerWaalsContact C-N 3.29Å; E30-K32 PolarHBondContact O-N 3.47Å; E30-E33 PolarHBondContact O-N 2.86Å; E30-E33 VanDerWaalsContact O-N 3.12Å; E30-C34 PolarHBondContact O-N 2.9Å; E30-C34 PolarHBondContact O-SG 3.43Å; E30-C34 VanDerWaalsContact O-SG 3.33Å
31	L	97.3	Very high	96.3	Very high	102 Å²	102	103.9 Å²	103.9	53%	0.534	50%	0.504	S	S	.	.	H	α-helix	trans	-63.6	-24.2	176.3	-77.6	171.2	0	0	0	115.2	L27 Q29 R35	L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 VanDerWaalsContact O-CG 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 3.04Å; Q29-L31 VanDerWaalsContact C-N 3.28Å; Q29-L31 PolarHBondContact O-N 2.79Å; L31-R35 WeakPolarHBondContact O-CB 3.39Å; L31-R35 VanDerWaalsContact O-CD 3.24Å; L31-R35 WeakPolarHBondContact O-CD 3.24Å; L31-R35 WeakPolarHBondContact O-CG 3.32Å; L31-R35 PolarHBondContact O-N 3.44Å
32	K	97.4	Very high	96.5	Very high	141 Å²	141	102.3 Å²	102.3	61%	0.613	50%	0.504	S	S	*	.	H	α-helix	trans	-78.8	-37.9	173.2	-70.6	163	-168.5	161.3	0	110.9	K28 Q29 E30 R35 A36	K28-K32 VanDerWaalsContact O-CD 3.23Å; K28-K32 WeakPolarHBondContact O-CD 3.47Å; K28-K32 WeakPolarHBondContact O-CE 3.41Å; K28-K32 VanDerWaalsContact O-CG 3.24Å; K28-K32 WeakPolarHBondContact O-CG 3.23Å; Q29-K32 WeakPolarHBondContact O-CA 3.44Å; Q29-K32 WeakPolarHBondContact O-CB 3.2Å; Q29-K32 PolarHBondContact O-N 3.47Å; E30-K32 VanDerWaalsContact C-N 3.29Å; E30-K32 PolarHBondContact O-N 3.47Å; K32-R35 PolarHBondContact O-N 3.43Å; K32-A36 PolarHBondContact O-N 3.33Å
33	E	97	Very high	96.6	Very high	101 Å²	101	102.8 Å²	102.8	47%	0.472	50%	0.501	S	S	.	.	H	α-helix	trans	-68.7	-50.6	180	-70.2	171.7	-169.5	0	0	110	Q29 E30 R35 A36 E37	Q29-E33 WeakPolarHBondContact CG-OE1 3.28Å; Q29-E33 PolarHBondContact NE2-OE1 3.49Å; Q29-E33 PolarHBondContact O-N 3.32Å; E30-E33 PolarHBondContact O-N 2.86Å; E30-E33 VanDerWaalsContact O-N 3.12Å; E33-R35 VanDerWaalsContact C-N 3.26Å; E33-R35 PolarHBondContact O-N 2.93Å; E33-A36 WeakPolarHBondContact O-CA 3.49Å; E33-A36 WeakPolarHBondContact O-CB 3.43Å; E33-A36 PolarHBondContact O-N 3.12Å; E33-E37 WeakPolarHBondContact O-CG 3.46Å; E33-E37 PolarHBondContact O-N 2.89Å
34	C	96.6	Very high	96.8	Very high	66 Å²	66	102.1 Å²	102.1	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-57.1	-37.4	172.8	-59	0	0	0	0	112.6	E30 E37 L38	E30-C34 PolarHBondContact O-N 2.9Å; E30-C34 PolarHBondContact O-SG 3.43Å; E30-C34 VanDerWaalsContact O-SG 3.33Å; C34-E37 PolarHBondContact O-N 3.22Å; C34-L38 WeakPolarHBondContact O-CB 3.47Å; C34-L38 WeakPolarHBondContact O-CG 3.21Å; C34-L38 PolarHBondContact O-N 2.69Å
35	R	97.4	Very high	96.8	Very high	174 Å²	174	103.6 Å²	103.6	66%	0.657	51%	0.509	S	S	*	.	H	α-helix	trans	-66.6	-40.1	173.7	-78.1	172.8	-176.8	-173.1	0.5	112.3	L31 K32 E33 E37 L38 T39	L31-R35 WeakPolarHBondContact O-CB 3.39Å; L31-R35 VanDerWaalsContact O-CD 3.24Å; L31-R35 WeakPolarHBondContact O-CD 3.24Å; L31-R35 WeakPolarHBondContact O-CG 3.32Å; L31-R35 PolarHBondContact O-N 3.44Å; K32-R35 PolarHBondContact O-N 3.43Å; E33-R35 VanDerWaalsContact C-N 3.26Å; E33-R35 PolarHBondContact O-N 2.93Å; R35-E37 VanDerWaalsContact C-N 3.33Å; R35-L38 PolarHBondContact O-N 3.18Å; R35-T39 WeakPolarHBondContact O-CG2 3.47Å; R35-T39 PolarHBondContact O-N 3.27Å; R35-T39 VanDerWaalsContact O-N 3.13Å
36	A	96.9	Very high	96.9	Very high	56 Å²	56	99.7 Å²	99.7	46%	0.463	50%	0.495	S	S	.	.	H	α-helix	trans	-62.2	-43.6	175.1	0	0	0	0	0	110.9	K32 E33 T39 K40	K32-A36 PolarHBondContact O-N 3.33Å; E33-A36 WeakPolarHBondContact O-CA 3.49Å; E33-A36 WeakPolarHBondContact O-CB 3.43Å; E33-A36 PolarHBondContact O-N 3.12Å; A36-T39 PolarHBondContact O-N 2.97Å; A36-T39 PolarHBondContact O-OG1 2.92Å; A36-K40 PolarHBondContact O-N 3Å
37	E	97.2	Very high	96.9	Very high	113 Å²	113	103.4 Å²	103.4	53%	0.528	51%	0.506	S	S	.	.	H	α-helix	trans	-64.1	-44.1	176.6	-67.6	-170.8	135.9	0	0	113	E33 C34 R35 T39 K40 L41	E33-E37 WeakPolarHBondContact O-CG 3.46Å; E33-E37 PolarHBondContact O-N 2.89Å; C34-E37 PolarHBondContact O-N 3.22Å; R35-E37 VanDerWaalsContact C-N 3.33Å; E37-T39 VanDerWaalsContact C-N 3.3Å; E37-T39 PolarHBondContact O-N 3.24Å; E37-K40 CarbonylContact O-C 3.58Å; E37-K40 WeakPolarHBondContact O-CA 3.38Å; E37-K40 VanDerWaalsContact O-CB 3.3Å; E37-K40 WeakPolarHBondContact O-CB 3.47Å; E37-K40 PolarHBondContact O-N 3.03Å; E37-L41 WeakPolarHBondContact O-CG 3.3Å; E37-L41 PolarHBondContact O-N 2.76Å
38	L	96.8	Very high	97	Very high	114 Å²	114	103.3 Å²	103.3	60%	0.597	51%	0.512	S	S	*	.	H	α-helix	trans	-56.3	-43.2	172.5	-75.3	169.4	0	0	0	111.6	C34 R35 K40 L41 Q42	C34-L38 WeakPolarHBondContact O-CB 3.47Å; C34-L38 WeakPolarHBondContact O-CG 3.21Å; C34-L38 PolarHBondContact O-N 2.69Å; R35-L38 PolarHBondContact O-N 3.18Å; L38-K40 PolarHBondContact O-N 2.91Å; L38-L41 PolarHBondContact O-N 3.36Å; L38-Q42 VanDerWaalsContact O-CB 3.28Å; L38-Q42 WeakPolarHBondContact O-CB 3.4Å; L38-Q42 PolarHBondContact O-N 3.13Å
39	T	97.5	Very high	97	Very high	63 Å²	63	101.8 Å²	101.8	39%	0.387	51%	0.506	S	S	.	.	H	α-helix	trans	-72.2	-14.3	174.9	76.4	0	0	0	0	114.2	R35 A36 E37 K43	R35-T39 WeakPolarHBondContact O-CG2 3.47Å; R35-T39 PolarHBondContact O-N 3.27Å; R35-T39 VanDerWaalsContact O-N 3.13Å; A36-T39 PolarHBondContact O-N 2.97Å; A36-T39 PolarHBondContact O-OG1 2.92Å; E37-T39 VanDerWaalsContact C-N 3.3Å; E37-T39 PolarHBondContact O-N 3.24Å; T39-K43 WeakPolarHBondContact O-CD 3.33Å; T39-K43 WeakPolarHBondContact O-CE 3.23Å; T39-K43 WeakPolarHBondContact O-CG 3.37Å; T39-K43 PolarHBondContact O-NZ 2.91Å; T39-K43 PolarHBondContact OG1-NZ 2.77Å
40	K	97.6	Very high	97	Very high	125 Å²	125	105.2 Å²	105.2	54%	0.543	51%	0.514	S	S	.	.	H	α-helix	trans	-82.8	-48.7	173.2	177.4	-166	166.6	-164.2	0	109.5	A36 E37 L38 K43 Q44	A36-K40 PolarHBondContact O-N 3Å; E37-K40 CarbonylContact O-C 3.58Å; E37-K40 WeakPolarHBondContact O-CA 3.38Å; E37-K40 VanDerWaalsContact O-CB 3.3Å; E37-K40 WeakPolarHBondContact O-CB 3.47Å; E37-K40 PolarHBondContact O-N 3.03Å; L38-K40 PolarHBondContact O-N 2.91Å; K40-K43 WeakPolarHBondContact O-CB 3.24Å; K40-K43 PolarHBondContact O-N 2.99Å; K40-K43 VanDerWaalsContact O-N 3.16Å; K40-Q44 WeakPolarHBondContact O-CG 3.49Å; K40-Q44 PolarHBondContact O-N 3.3Å
41	L	96	Very high	97	Very high	102 Å²	102	106.9 Å²	106.9	53%	0.534	53%	0.525	S	S	.	.	H	α-helix	trans	-58.8	-47	174.2	-67.4	172.9	0	0	0	111.6	E37 L38 K43 Q44 L45	E37-L41 WeakPolarHBondContact O-CG 3.3Å; E37-L41 PolarHBondContact O-N 2.76Å; L38-L41 PolarHBondContact O-N 3.36Å; L41-K43 VanDerWaalsContact C-N 3.25Å; L41-K43 PolarHBondContact O-N 2.8Å; L41-Q44 WeakPolarHBondContact O-CB 3.45Å; L41-Q44 PolarHBondContact O-N 2.85Å; L41-L45 WeakPolarHBondContact O-CB 3.19Å; L41-L45 PolarHBondContact O-N 3.36Å
42	Q	96.8	Very high	97	Very high	135 Å²	135	106.9 Å²	106.9	63%	0.631	52%	0.522	S	S	*	.	H	α-helix	trans	-59.6	-35	176.5	-167.7	-178.1	26.8	0	0	112.5	L38 S46	L38-Q42 VanDerWaalsContact O-CB 3.28Å; L38-Q42 WeakPolarHBondContact O-CB 3.4Å; L38-Q42 PolarHBondContact O-N 3.13Å; Q42-S46 WeakPolarHBondContact O-CB 3.46Å; Q42-S46 PolarHBondContact O-N 2.83Å; Q42-S46 PolarHBondContact O-OG 3.33Å
43	K	97.2	Very high	97	Very high	129 Å²	129	105.8 Å²	105.8	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-69.8	-42.8	173.5	-72.4	174.6	-164.6	99.7	0	111.6	T39 K40 L41 S46 H47	T39-K43 WeakPolarHBondContact O-CD 3.33Å; T39-K43 WeakPolarHBondContact O-CE 3.23Å; T39-K43 WeakPolarHBondContact O-CG 3.37Å; T39-K43 PolarHBondContact O-NZ 2.91Å; T39-K43 PolarHBondContact OG1-NZ 2.77Å; K40-K43 WeakPolarHBondContact O-CB 3.24Å; K40-K43 PolarHBondContact O-N 2.99Å; K40-K43 VanDerWaalsContact O-N 3.16Å; L41-K43 VanDerWaalsContact C-N 3.25Å; L41-K43 PolarHBondContact O-N 2.8Å; K43-S46 PolarHBondContact O-N 2.91Å; K43-S46 PolarHBondContact O-OG 3.29Å; K43-H47 WeakPolarHBondContact O-CB 3.22Å; K43-H47 PolarHBondContact O-N 3.06Å
44	Q	97.4	Very high	97	Very high	107 Å²	107	104.4 Å²	104.4	50%	0.5	52%	0.519	S	S	.	.	H	α-helix	trans	-61.9	-43.7	176.1	-71.2	175.9	-108.6	0	0	111.6	K40 L41 H47 S48	K40-Q44 WeakPolarHBondContact O-CG 3.49Å; K40-Q44 PolarHBondContact O-N 3.3Å; L41-Q44 WeakPolarHBondContact O-CB 3.45Å; L41-Q44 PolarHBondContact O-N 2.85Å; Q44-H47 WeakPolarHBondContact O-CB 3.49Å; Q44-H47 PolarHBondContact O-N 3.26Å; Q44-S48 PolarHBondContact O-N 2.84Å
45	L	97.2	Very high	96.9	Very high	101 Å²	101	104.5 Å²	104.5	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-60.7	-49.3	173.8	-175.7	145.5	0	0	0	111.1	L41 H47 S48 E49	L41-L45 WeakPolarHBondContact O-CB 3.19Å; L41-L45 PolarHBondContact O-N 3.36Å; L45-H47 PolarHBondContact O-N 2.83Å; L45-H47 VanDerWaalsContact O-N 3.1Å; L45-S48 WeakPolarHBondContact O-CB 3.35Å; L45-S48 PolarHBondContact O-N 3.4Å; L45-E49 HydrophobicContact CD2-CG 4.34Å; L45-E49 VanDerWaalsContact CD2-OE1 3.23Å; L45-E49 WeakPolarHBondContact CD2-OE1 3.45Å; L45-E49 PolarHBondContact O-N 2.97Å
46	S	97.1	Very high	96.9	Very high	42 Å²	42	100.1 Å²	100.1	29%	0.294	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-17.2	176.3	78.7	0	0	0	0	114.7	Q42 K43 R50	Q42-S46 WeakPolarHBondContact O-CB 3.46Å; Q42-S46 PolarHBondContact O-N 2.83Å; Q42-S46 PolarHBondContact O-OG 3.33Å; K43-S46 PolarHBondContact O-N 2.91Å; K43-S46 PolarHBondContact O-OG 3.29Å; S46-R50 VanDerWaalsContact O-CD 3.24Å; S46-R50 WeakPolarHBondContact O-CD 3.48Å; S46-R50 VanDerWaalsContact O-CG 3.22Å; S46-R50 WeakPolarHBondContact O-CG 3.49Å; S46-R50 PolarHBondContact O-NE 3.5Å
47	H	97.1	Very high	96.9	Very high	132 Å²	132	100 Å²	100	61%	0.611	50%	0.501	S	S	*	.	H	α-helix	trans	-85.4	-43.3	171.9	-179.8	-75.6	0	0	0	110.9	K43 Q44 L45 R50 L51	K43-H47 WeakPolarHBondContact O-CB 3.22Å; K43-H47 PolarHBondContact O-N 3.06Å; Q44-H47 WeakPolarHBondContact O-CB 3.49Å; Q44-H47 PolarHBondContact O-N 3.26Å; L45-H47 PolarHBondContact O-N 2.83Å; L45-H47 VanDerWaalsContact O-N 3.1Å; H47-R50 PolarHBondContact O-N 2.81Å; H47-L51 PolarHBondContact O-N 2.78Å
48	S	96.9	Very high	96.9	Very high	71 Å²	71	101.6 Å²	101.6	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-58.2	-49.9	174.7	-174.4	0	0	0	0	111.2	Q44 L45 R50 L51 Q52	Q44-S48 PolarHBondContact O-N 2.84Å; L45-S48 WeakPolarHBondContact O-CB 3.35Å; L45-S48 PolarHBondContact O-N 3.4Å; S48-R50 PolarHBondContact O-N 3.05Å; S48-L51 WeakPolarHBondContact O-CB 3.37Å; S48-L51 PolarHBondContact O-N 3.01Å; S48-L51 VanDerWaalsContact O-N 3.08Å; S48-Q52 WeakPolarHBondContact O-CB 3.46Å; S48-Q52 PolarHBondContact O-N 3.16Å
49	E	97.2	Very high	96.8	Very high	80 Å²	80	99.9 Å²	99.9	37%	0.374	49%	0.494	S	S	.	.	H	α-helix	trans	-54.3	-38.4	175.4	-75.6	-173.3	-149	0	0	113.6	L45 K53	L45-E49 HydrophobicContact CD2-CG 4.34Å; L45-E49 VanDerWaalsContact CD2-OE1 3.23Å; L45-E49 WeakPolarHBondContact CD2-OE1 3.45Å; L45-E49 PolarHBondContact O-N 2.97Å; E49-K53 WeakPolarHBondContact O-CB 3.36Å; E49-K53 WeakPolarHBondContact O-CD 3.47Å; E49-K53 VanDerWaalsContact O-CG 3.22Å; E49-K53 WeakPolarHBondContact O-CG 3.5Å; E49-K53 PolarHBondContact O-N 2.72Å; E49-K53 IonicContact OE2-NZ 3.53Å; E49-K53 PolarHBondContact OE2-NZ 3.07Å
50	R	96.6	Very high	96.8	Very high	185 Å²	185	101.6 Å²	101.6	70%	0.698	50%	0.498	S	S	*	.	H	α-helix	trans	-73.5	-36.5	-179.6	-71.9	171.9	-168.5	-164.6	2	111.7	S46 H47 S48 S54	S46-R50 VanDerWaalsContact O-CD 3.24Å; S46-R50 WeakPolarHBondContact O-CD 3.48Å; S46-R50 VanDerWaalsContact O-CG 3.22Å; S46-R50 WeakPolarHBondContact O-CG 3.49Å; S46-R50 PolarHBondContact O-NE 3.5Å; H47-R50 PolarHBondContact O-N 2.81Å; S48-R50 PolarHBondContact O-N 3.05Å; R50-S54 WeakPolarHBondContact O-CB 3.46Å; R50-S54 PolarHBondContact O-N 2.73Å
51	L	96.6	Very high	96.8	Very high	105 Å²	105	99.5 Å²	99.5	55%	0.55	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-46.7	174.2	-175.3	61.4	0	0	0	110	H47 S48 S54 T55	H47-L51 PolarHBondContact O-N 2.78Å; S48-L51 WeakPolarHBondContact O-CB 3.37Å; S48-L51 PolarHBondContact O-N 3.01Å; S48-L51 VanDerWaalsContact O-N 3.08Å; L51-S54 CarbonylContact O-C 3.59Å; L51-S54 WeakPolarHBondContact O-CA 3.22Å; L51-S54 WeakPolarHBondContact O-CB 3.22Å; L51-S54 PolarHBondContact O-N 3.19Å; L51-S54 VanDerWaalsContact O-N 3.12Å; L51-T55 PolarHBondContact O-N 3.18Å; L51-T55 PolarHBondContact O-OG1 2.86Å
52	Q	96.4	Very high	96.8	Very high	103 Å²	103	97.8 Å²	97.8	48%	0.481	48%	0.484	S	S	.	.	H	α-helix	trans	-56.5	-52	174.2	175.8	175.4	-4.3	0	0	111.8	S48 S54 T55 E56	S48-Q52 WeakPolarHBondContact O-CB 3.46Å; S48-Q52 PolarHBondContact O-N 3.16Å; Q52-S54 PolarHBondContact O-N 2.91Å; Q52-S54 VanDerWaalsContact O-N 3.17Å; Q52-T55 PolarHBondContact O-N 3.25Å; Q52-T55 PolarHBondContact O-OG1 3.08Å; Q52-E56 VanDerWaalsContact CG-CD 3.49Å; Q52-E56 HydrophobicContact CG-CG 4.19Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.31Å; Q52-E56 PolarHBondContact NE2-OE1 3.1Å; Q52-E56 WeakPolarHBondContact O-CB 3.42Å; Q52-E56 VanDerWaalsContact O-CG 3.3Å; Q52-E56 WeakPolarHBondContact O-CG 3.34Å; Q52-E56 PolarHBondContact O-N 3.07Å
53	K	96.6	Very high	96.8	Very high	117 Å²	117	99.7 Å²	99.7	51%	0.509	49%	0.485	S	S	.	.	H	α-helix	trans	-61.6	-27.7	177.4	-71.1	160.5	-172.5	165.5	0	112.7	E49 E56 S57	E49-K53 WeakPolarHBondContact O-CB 3.36Å; E49-K53 WeakPolarHBondContact O-CD 3.47Å; E49-K53 VanDerWaalsContact O-CG 3.22Å; E49-K53 WeakPolarHBondContact O-CG 3.5Å; E49-K53 PolarHBondContact O-N 2.72Å; E49-K53 IonicContact OE2-NZ 3.53Å; E49-K53 PolarHBondContact OE2-NZ 3.07Å; K53-E56 WeakPolarHBondContact CA-OE2 3.3Å; K53-S57 WeakPolarHBondContact O-CB 3.48Å; K53-S57 PolarHBondContact O-N 2.85Å; K53-S57 PolarHBondContact O-OG 2.77Å
54	S	97.3	Very high	96.8	Very high	73 Å²	73	97.5 Å²	97.5	51%	0.51	48%	0.475	S	S	.	.	H	α-helix	trans	-77.7	-29.7	173.6	-167.9	0	0	0	0	113.8	R50 L51 Q52 S57 Y58	R50-S54 WeakPolarHBondContact O-CB 3.46Å; R50-S54 PolarHBondContact O-N 2.73Å; L51-S54 CarbonylContact O-C 3.59Å; L51-S54 WeakPolarHBondContact O-CA 3.22Å; L51-S54 WeakPolarHBondContact O-CB 3.22Å; L51-S54 PolarHBondContact O-N 3.19Å; L51-S54 VanDerWaalsContact O-N 3.12Å; Q52-S54 PolarHBondContact O-N 2.91Å; Q52-S54 VanDerWaalsContact O-N 3.17Å; S54-S57 PolarHBondContact O-OG 3.17Å; S54-Y58 WeakPolarHBondContact O-CB 3.47Å; S54-Y58 PolarHBondContact O-N 3.06Å
55	T	95.8	Very high	96.7	Very high	67 Å²	67	97.3 Å²	97.3	41%	0.411	47%	0.474	S	S	.	.	H	α-helix	trans	-82.6	-35.5	173.5	52.8	0	0	0	0	111.6	L51 Q52 Y58 N59	L51-T55 PolarHBondContact O-N 3.18Å; L51-T55 PolarHBondContact O-OG1 2.86Å; Q52-T55 PolarHBondContact O-N 3.25Å; Q52-T55 PolarHBondContact O-OG1 3.08Å; T55-Y58 PolarHBondContact O-N 2.79Å; T55-N59 VanDerWaalsContact O-CB 3.31Å; T55-N59 WeakPolarHBondContact O-CB 3.44Å; T55-N59 PolarHBondContact O-N 2.9Å; T55-N59 PolarHBondContact O-ND2 2.87Å
56	E	95.9	Very high	96.7	Very high	82 Å²	82	96.7 Å²	96.7	38%	0.383	48%	0.475	S	S	.	.	H	α-helix	trans	-59.1	-52.2	172.6	-73.6	166.5	165.3	0	0	111.3	Q52 K53 Y58 N59 E60	Q52-E56 VanDerWaalsContact CG-CD 3.49Å; Q52-E56 HydrophobicContact CG-CG 4.19Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.31Å; Q52-E56 PolarHBondContact NE2-OE1 3.1Å; Q52-E56 WeakPolarHBondContact O-CB 3.42Å; Q52-E56 VanDerWaalsContact O-CG 3.3Å; Q52-E56 WeakPolarHBondContact O-CG 3.34Å; Q52-E56 PolarHBondContact O-N 3.07Å; K53-E56 WeakPolarHBondContact CA-OE2 3.3Å; E56-Y58 VanDerWaalsContact C-N 3.34Å; E56-Y58 PolarHBondContact O-N 3.29Å; E56-N59 CarbonylContact O-C 3.38Å; E56-N59 PolarHBondContact O-N 2.89Å; E56-N59 VanDerWaalsContact O-N 3.14Å; E56-E60 PolarHBondContact O-N 3.17Å
57	S	97.4	Very high	96.6	Very high	55 Å²	55	99.6 Å²	99.6	39%	0.385	49%	0.487	S	S	.	.	H	α-helix	trans	-62.2	-37	177	48	0	0	0	0	113.4	K53 S54 E60 D61	K53-S57 WeakPolarHBondContact O-CB 3.48Å; K53-S57 PolarHBondContact O-N 2.85Å; K53-S57 PolarHBondContact O-OG 2.77Å; S54-S57 PolarHBondContact O-OG 3.17Å; S57-E60 PolarHBondContact O-N 2.85Å; S57-D61 PolarHBondContact O-N 3.49Å
58	Y	97.2	Very high	96.6	Very high	146 Å²	146	99.7 Å²	99.7	57%	0.573	49%	0.488	S	S	*	.	H	α-helix	trans	-65.1	-42	172.3	177.6	-107	0	0	0	112.3	S54 T55 E56 D61 L62	S54-Y58 WeakPolarHBondContact O-CB 3.47Å; S54-Y58 PolarHBondContact O-N 3.06Å; T55-Y58 PolarHBondContact O-N 2.79Å; E56-Y58 VanDerWaalsContact C-N 3.34Å; E56-Y58 PolarHBondContact O-N 3.29Å; Y58-D61 PolarHBondContact O-N 2.83Å; Y58-L62 HydrophobicContact CD1-CD1 4.02Å; Y58-L62 HydrophobicContact CE1-CD1 3.48Å; Y58-L62 VanDerWaalsContact CE1-CD1 3.48Å; Y58-L62 HydrophobicContact CE1-CG 4.17Å; Y58-L62 PolarHBondContact O-N 2.72Å
59	N	95.9	Very high	96.6	Very high	78 Å²	78	101.1 Å²	101.1	42%	0.417	49%	0.489	S	S	.	.	H	α-helix	trans	-68.8	-34.6	177.6	-70.7	-18	0	0	0	112.2	T55 E56 L62 R63	T55-N59 VanDerWaalsContact O-CB 3.31Å; T55-N59 WeakPolarHBondContact O-CB 3.44Å; T55-N59 PolarHBondContact O-N 2.9Å; T55-N59 PolarHBondContact O-ND2 2.87Å; E56-N59 CarbonylContact O-C 3.38Å; E56-N59 PolarHBondContact O-N 2.89Å; E56-N59 VanDerWaalsContact O-N 3.14Å; N59-L62 PolarHBondContact O-N 3.31Å; N59-R63 WeakPolarHBondContact O-CG 3.08Å; N59-R63 PolarHBondContact O-N 3.39Å
60	E	96.6	Very high	96.5	Very high	98 Å²	98	99.7 Å²	99.7	46%	0.458	49%	0.488	S	S	.	.	H	α-helix	trans	-62.3	-44.1	169.1	-75.2	-175.2	-164.4	0	0	112.1	E56 S57 L62 R63 K64	E56-E60 PolarHBondContact O-N 3.17Å; S57-E60 PolarHBondContact O-N 2.85Å; E60-L62 VanDerWaalsContact C-N 3.3Å; E60-L62 PolarHBondContact O-N 2.74Å; E60-R63 WeakPolarHBondContact O-CB 3.26Å; E60-R63 PolarHBondContact O-N 3.2Å; E60-K64 WeakPolarHBondContact O-CE 3.3Å; E60-K64 VanDerWaalsContact O-CG 3.26Å; E60-K64 WeakPolarHBondContact O-CG 3.4Å; E60-K64 PolarHBondContact O-N 3.47Å; E60-K64 IonicContact OE2-NZ 2.62Å; E60-K64 PolarHBondContact OE2-NZ 2.92Å; E60-K64 VanDerWaalsContact OE2-NZ 3.07Å
61	D	97.2	Very high	96.5	Very high	82 Å²	82	93.7 Å²	93.7	44%	0.439	48%	0.478	S	S	.	.	H	α-helix	trans	-70.1	-27.7	179.4	-75.9	-4.9	0	0	0	112.2	S57 Y58 K64 Q65	S57-D61 PolarHBondContact O-N 3.49Å; Y58-D61 PolarHBondContact O-N 2.83Å; D61-K64 WeakPolarHBondContact OD1-CD 3.27Å; D61-K64 IonicContact OD1-NZ 3.44Å; D61-K64 PolarHBondContact OD1-NZ 3.14Å; D61-Q65 WeakPolarHBondContact O-CG 3.18Å; D61-Q65 PolarHBondContact O-N 2.86Å; D61-Q65 PolarHBondContact O-NE2 2.8Å
62	L	96	Very high	96.5	Very high	66 Å²	66	93 Å²	93	35%	0.346	47%	0.472	S	S	.	.	H	α-helix	trans	-67.6	-44.4	166.1	-75.2	176.8	0	0	0	112.2	Y58 N59 E60 K64 Q65 V66	Y58-L62 HydrophobicContact CD1-CD1 4.02Å; Y58-L62 HydrophobicContact CE1-CD1 3.48Å; Y58-L62 VanDerWaalsContact CE1-CD1 3.48Å; Y58-L62 HydrophobicContact CE1-CG 4.17Å; Y58-L62 PolarHBondContact O-N 2.72Å; N59-L62 PolarHBondContact O-N 3.31Å; E60-L62 VanDerWaalsContact C-N 3.3Å; E60-L62 PolarHBondContact O-N 2.74Å; L62-K64 PolarHBondContact O-N 3.37Å; L62-Q65 WeakPolarHBondContact O-CB 3.47Å; L62-Q65 PolarHBondContact O-N 3.26Å; L62-Q65 VanDerWaalsContact O-N 3.15Å; L62-V66 WeakPolarHBondContact O-CG2 3.39Å; L62-V66 PolarHBondContact O-N 3.06Å
63	R	96.2	Very high	96.4	Very high	174 Å²	174	92.1 Å²	92.1	66%	0.657	47%	0.469	S	S	*	.	H	α-helix	trans	-57.2	-50.5	174.8	-73.6	168.1	179.2	172.4	-1.2	110.9	N59 E60 Q65 V66 D67	N59-R63 WeakPolarHBondContact O-CG 3.08Å; N59-R63 PolarHBondContact O-N 3.39Å; E60-R63 WeakPolarHBondContact O-CB 3.26Å; E60-R63 PolarHBondContact O-N 3.2Å; R63-Q65 PolarHBondContact O-N 3.39Å; R63-Q65 VanDerWaalsContact O-N 3.14Å; R63-V66 WeakPolarHBondContact O-CA 3.49Å; R63-V66 WeakPolarHBondContact O-CB 3.31Å; R63-V66 PolarHBondContact O-N 3.43Å; R63-D67 PolarHBondContact O-N 2.94Å; R63-D67 VanDerWaalsContact O-OD2 3.12Å
64	K	97.3	Very high	96.2	Very high	84 Å²	84	92.8 Å²	92.8	37%	0.365	47%	0.474	S	S	.	.	H	α-helix	trans	-55.3	-33.9	176	-65.9	161.2	-150.5	158.8	0	112.9	E60 D61 L62 Q68	E60-K64 WeakPolarHBondContact O-CE 3.3Å; E60-K64 VanDerWaalsContact O-CG 3.26Å; E60-K64 WeakPolarHBondContact O-CG 3.4Å; E60-K64 PolarHBondContact O-N 3.47Å; E60-K64 IonicContact OE2-NZ 2.62Å; E60-K64 PolarHBondContact OE2-NZ 2.92Å; E60-K64 VanDerWaalsContact OE2-NZ 3.07Å; D61-K64 WeakPolarHBondContact OD1-CD 3.27Å; D61-K64 IonicContact OD1-NZ 3.44Å; D61-K64 PolarHBondContact OD1-NZ 3.14Å; L62-K64 PolarHBondContact O-N 3.37Å; K64-Q68 WeakPolarHBondContact O-CB 3.43Å; K64-Q68 WeakPolarHBondContact O-CG 3.24Å; K64-Q68 PolarHBondContact O-N 2.92Å; K64-Q68 VanDerWaalsContact O-N 3.14Å; K64-Q68 PolarHBondContact O-NE2 3.12Å
65	Q	96.9	Very high	96	Very high	102 Å²	102	93.2 Å²	93.2	48%	0.477	47%	0.468	S	S	.	.	H	α-helix	trans	-73.5	-40.9	174.7	-76.3	166.7	71.5	0	0	112.5	D61 L62 R63 D67 Q68 L69	D61-Q65 WeakPolarHBondContact O-CG 3.18Å; D61-Q65 PolarHBondContact O-N 2.86Å; D61-Q65 PolarHBondContact O-NE2 2.8Å; L62-Q65 WeakPolarHBondContact O-CB 3.47Å; L62-Q65 PolarHBondContact O-N 3.26Å; L62-Q65 VanDerWaalsContact O-N 3.15Å; R63-Q65 PolarHBondContact O-N 3.39Å; R63-Q65 VanDerWaalsContact O-N 3.14Å; Q65-D67 VanDerWaalsContact C-N 3.34Å; Q65-Q68 PolarHBondContact O-N 3.17Å; Q65-L69 WeakPolarHBondContact O-CB 3.48Å; Q65-L69 WeakPolarHBondContact O-CG 3.19Å; Q65-L69 PolarHBondContact O-N 3.07Å
66	V	96.4	Very high	95.8	Very high	88 Å²	88	97.4 Å²	97.4	53%	0.533	48%	0.477	S	S	.	.	H	α-helix	trans	-62.9	-41.6	173.9	172.9	0	0	0	0	110.8	L62 R63 L69 S70	L62-V66 WeakPolarHBondContact O-CG2 3.39Å; L62-V66 PolarHBondContact O-N 3.06Å; R63-V66 WeakPolarHBondContact O-CA 3.49Å; R63-V66 WeakPolarHBondContact O-CB 3.31Å; R63-V66 PolarHBondContact O-N 3.43Å; V66-L69 PolarHBondContact O-N 3.45Å; V66-S70 VanDerWaalsContact O-CB 3.26Å; V66-S70 WeakPolarHBondContact O-CB 3.48Å; V66-S70 PolarHBondContact O-N 3.4Å; V66-S70 PolarHBondContact O-OG 3.24Å
67	D	95.9	Very high	95.5	Very high	103 Å²	103	99.4 Å²	99.4	55%	0.551	48%	0.484	S	S	*	.	H	α-helix	trans	-62.4	-45.1	176.4	-59.2	-34.5	0	0	0	111.4	R63 Q65 S70 A71	R63-D67 PolarHBondContact O-N 2.94Å; R63-D67 VanDerWaalsContact O-OD2 3.12Å; Q65-D67 VanDerWaalsContact C-N 3.34Å; D67-S70 PolarHBondContact O-N 3.38Å; D67-A71 WeakPolarHBondContact O-CB 3.47Å; D67-A71 PolarHBondContact O-N 3.01Å
68	Q	97.2	Very high	95.2	Very high	134 Å²	134	102.3 Å²	102.3	63%	0.626	49%	0.49	S	S	*	.	H	α-helix	trans	-62.4	-46.1	176.5	-76.9	166.2	52.1	0	0	112.5	K64 Q65 S70 A71 E72	K64-Q68 WeakPolarHBondContact O-CB 3.43Å; K64-Q68 WeakPolarHBondContact O-CG 3.24Å; K64-Q68 PolarHBondContact O-N 2.92Å; K64-Q68 VanDerWaalsContact O-N 3.14Å; K64-Q68 PolarHBondContact O-NE2 3.12Å; Q65-Q68 PolarHBondContact O-N 3.17Å; Q68-S70 VanDerWaalsContact C-N 3.32Å; Q68-S70 PolarHBondContact O-N 3.25Å; Q68-A71 PolarHBondContact O-N 2.97Å; Q68-E72 PolarHBondContact O-N 2.87Å
69	L	96.2	Very high	94.8	Very high	102 Å²	102	101.3 Å²	101.3	53%	0.534	49%	0.488	S	S	.	.	H	α-helix	trans	-66.1	-36	177	-71.2	170	0	0	0	111.7	Q65 V66 E72 I73	Q65-L69 WeakPolarHBondContact O-CB 3.48Å; Q65-L69 WeakPolarHBondContact O-CG 3.19Å; Q65-L69 PolarHBondContact O-N 3.07Å; V66-L69 PolarHBondContact O-N 3.45Å; L69-E72 PolarHBondContact O-N 3.49Å; L69-I73 WeakPolarHBondContact O-CD1 3.42Å; L69-I73 VanDerWaalsContact O-CG1 3.25Å; L69-I73 WeakPolarHBondContact O-CG1 3.42Å; L69-I73 PolarHBondContact O-N 3.5Å
70	S	95.6	Very high	94.4	Very high	50 Å²	50	103.3 Å²	103.3	35%	0.35	50%	0.495	S	S	.	.	H	α-helix	trans	-66.1	-45.9	175.3	-59.5	0	0	0	0	110.9	V66 D67 Q68 E72 I73 H74	V66-S70 VanDerWaalsContact O-CB 3.26Å; V66-S70 WeakPolarHBondContact O-CB 3.48Å; V66-S70 PolarHBondContact O-N 3.4Å; V66-S70 PolarHBondContact O-OG 3.24Å; D67-S70 PolarHBondContact O-N 3.38Å; Q68-S70 VanDerWaalsContact C-N 3.32Å; Q68-S70 PolarHBondContact O-N 3.25Å; S70-E72 VanDerWaalsContact C-N 3.31Å; S70-E72 PolarHBondContact O-N 2.82Å; S70-I73 PolarHBondContact O-N 3.46Å; S70-H74 PolarHBondContact O-CD2 2.82Å; S70-H74 VanDerWaalsContact O-CD2 3.27Å; S70-H74 PolarHBondContact O-N 2.94Å
71	A	96	Very high	93.7	Very high	58 Å²	58	106.2 Å²	106.2	48%	0.479	51%	0.506	S	S	.	.	H	α-helix	trans	-59	-40.8	173.1	0	0	0	0	0	111.9	D67 Q68 H74 E75	D67-A71 WeakPolarHBondContact O-CB 3.47Å; D67-A71 PolarHBondContact O-N 3.01Å; Q68-A71 PolarHBondContact O-N 2.97Å; A71-H74 PolarHBondContact O-N 2.85Å; A71-E75 WeakPolarHBondContact O-CB 3.34Å; A71-E75 PolarHBondContact O-N 3.35Å
72	E	96.6	Very high	92.7	Very high	90 Å²	90	105.6 Å²	105.6	42%	0.421	50%	0.503	S	S	.	.	H	α-helix	trans	-65.1	-40.6	175.3	-153.9	-158.1	160.1	0	0	112.2	Q68 L69 S70 E75 R76	Q68-E72 PolarHBondContact O-N 2.87Å; L69-E72 PolarHBondContact O-N 3.49Å; S70-E72 VanDerWaalsContact C-N 3.31Å; S70-E72 PolarHBondContact O-N 2.82Å; E72-E75 PolarHBondContact O-N 3.4Å; E72-R76 VanDerWaalsContact CD-NH2 3.35Å; E72-R76 WeakPolarHBondContact O-CB 3.49Å; E72-R76 VanDerWaalsContact O-CG 3.23Å; E72-R76 WeakPolarHBondContact O-CG 3.31Å; E72-R76 PolarHBondContact O-N 3.14Å; E72-R76 IonicContact OE1-CZ 3.07Å; E72-R76 IonicContact OE1-NE 2.6Å; E72-R76 PolarHBondContact OE1-NE 2.87Å; E72-R76 IonicContact OE1-NH2 2.68Å; E72-R76 PolarHBondContact OE1-NH2 3.33Å; E72-R76 IonicContact OE2-NH2 2.72Å; E72-R76 PolarHBondContact OE2-NH2 2.86Å
73	I	94.8	Very high	91.9	Very high	85 Å²	85	109.2 Å²	109.2	44%	0.436	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-41.2	174.8	-70.9	162.9	0	0	0	111	L69 S70 R76 K77	L69-I73 WeakPolarHBondContact O-CD1 3.42Å; L69-I73 VanDerWaalsContact O-CG1 3.25Å; L69-I73 WeakPolarHBondContact O-CG1 3.42Å; L69-I73 PolarHBondContact O-N 3.5Å; S70-I73 PolarHBondContact O-N 3.46Å; I73-R76 PolarHBondContact O-N 3.22Å; I73-K77 HydrophobicContact CG2-CD 4.22Å; I73-K77 WeakPolarHBondContact O-CB 3.2Å; I73-K77 WeakPolarHBondContact O-CG 3.47Å; I73-K77 PolarHBondContact O-N 3.5Å
74	H	92.6	Very high	90.6	Very high	132 Å²	132	104.5 Å²	104.5	61%	0.611	50%	0.502	S	S	*	.	H	α-helix	trans	-65.1	-43.2	175.2	-87.1	-90.6	0	0	0	112	S70 A71 K77 K78	S70-H74 PolarHBondContact O-CD2 2.82Å; S70-H74 VanDerWaalsContact O-CD2 3.27Å; S70-H74 PolarHBondContact O-N 2.94Å; A71-H74 PolarHBondContact O-N 2.85Å; H74-K77 PolarHBondContact O-N 2.84Å; H74-K78 VanDerWaalsContact O-CB 3.32Å; H74-K78 WeakPolarHBondContact O-CB 3.32Å; H74-K78 PolarHBondContact O-N 2.87Å
75	E	92.7	Very high	88.7	Confident	82 Å²	82	103.4 Å²	103.4	38%	0.383	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-37.7	174.7	-90.5	-72.3	115.9	0	0	112.9	A71 E72 K79	A71-E75 WeakPolarHBondContact O-CB 3.34Å; A71-E75 PolarHBondContact O-N 3.35Å; E72-E75 PolarHBondContact O-N 3.4Å; E75-K79 WeakPolarHBondContact O-CB 3.47Å; E75-K79 WeakPolarHBondContact O-CD 3.43Å; E75-K79 WeakPolarHBondContact O-CG 3.5Å; E75-K79 PolarHBondContact O-N 3.15Å; E75-K79 WeakPolarHBondContact OE2-CE 3.13Å; E75-K79 IonicContact OE2-NZ 2.85Å; E75-K79 PolarHBondContact OE2-NZ 3.02Å
76	R	91.1	Very high	86.9	Confident	155 Å²	155	102.8 Å²	102.8	59%	0.585	51%	0.511	S	S	*	.	H	α-helix	trans	-65.1	-48.1	173.4	-73.1	170.3	-179.2	-155.2	10	111.2	E72 I73 K78 K79 E80	E72-R76 VanDerWaalsContact CD-NH2 3.35Å; E72-R76 WeakPolarHBondContact O-CB 3.49Å; E72-R76 VanDerWaalsContact O-CG 3.23Å; E72-R76 WeakPolarHBondContact O-CG 3.31Å; E72-R76 PolarHBondContact O-N 3.14Å; E72-R76 IonicContact OE1-CZ 3.07Å; E72-R76 IonicContact OE1-NE 2.6Å; E72-R76 PolarHBondContact OE1-NE 2.87Å; E72-R76 IonicContact OE1-NH2 2.68Å; E72-R76 PolarHBondContact OE1-NH2 3.33Å; E72-R76 IonicContact OE2-NH2 2.72Å; E72-R76 PolarHBondContact OE2-NH2 2.86Å; I73-R76 PolarHBondContact O-N 3.22Å; R76-K78 VanDerWaalsContact C-N 3.32Å; R76-K78 PolarHBondContact O-N 3.14Å; R76-K79 PolarHBondContact O-N 3.46Å; R76-E80 WeakPolarHBondContact O-CB 3.46Å; R76-E80 PolarHBondContact O-N 3.22Å
77	K	90.5	Very high	85	Confident	124 Å²	124	104.3 Å²	104.3	54%	0.539	51%	0.512	S	S	.	.	H	α-helix	trans	-62	-36.8	175.9	-76.6	178.7	176.7	-177.9	0	112.8	I73 H74 E80 K81	I73-K77 HydrophobicContact CG2-CD 4.22Å; I73-K77 WeakPolarHBondContact O-CB 3.2Å; I73-K77 WeakPolarHBondContact O-CG 3.47Å; I73-K77 PolarHBondContact O-N 3.5Å; H74-K77 PolarHBondContact O-N 2.84Å; K77-E80 PolarHBondContact O-N 2.88Å; K77-K81 WeakPolarHBondContact O-CB 3.29Å; K77-K81 PolarHBondContact O-N 2.97Å
78	K	90.9	Very high	83.1	Confident	116 Å²	116	104 Å²	104	50%	0.504	51%	0.514	S	S	.	.	H	α-helix	trans	-62.6	-53.8	174	-177	-179.2	172.5	-173.4	0	110.3	H74 R76 E80 K81 D82	H74-K78 VanDerWaalsContact O-CB 3.32Å; H74-K78 WeakPolarHBondContact O-CB 3.32Å; H74-K78 PolarHBondContact O-N 2.87Å; R76-K78 VanDerWaalsContact C-N 3.32Å; R76-K78 PolarHBondContact O-N 3.14Å; K78-E80 PolarHBondContact O-N 2.96Å; K78-K81 CarbonylContact O-C 3.52Å; K78-K81 WeakPolarHBondContact O-CB 3.37Å; K78-K81 PolarHBondContact O-N 2.98Å; K78-K81 VanDerWaalsContact O-N 3.07Å; K78-D82 WeakPolarHBondContact O-CB 3.23Å; K78-D82 PolarHBondContact O-N 3.22Å
79	K	88.9	Confident	80.7	Confident	125 Å²	125	105.5 Å²	105.5	54%	0.543	52%	0.521	S	S	.	.	H	α-helix	trans	-59.7	-31.9	176.8	-73.4	161.4	178	137.8	0	113.4	E75 R76 R83	E75-K79 WeakPolarHBondContact O-CB 3.47Å; E75-K79 WeakPolarHBondContact O-CD 3.43Å; E75-K79 WeakPolarHBondContact O-CG 3.5Å; E75-K79 PolarHBondContact O-N 3.15Å; E75-K79 WeakPolarHBondContact OE2-CE 3.13Å; E75-K79 IonicContact OE2-NZ 2.85Å; E75-K79 PolarHBondContact OE2-NZ 3.02Å; R76-K79 PolarHBondContact O-N 3.46Å; K79-R83 WeakPolarHBondContact O-CB 3.45Å; K79-R83 PolarHBondContact O-N 3.28Å
80	E	86.2	Confident	78.4	Confident	120 Å²	120	106.9 Å²	106.9	56%	0.561	53%	0.534	S	S	*	.	H	α-helix	trans	-68.4	-47.5	172.5	-175.1	167.6	-137.8	0	0	111.8	R76 K77 K78 R83 V84	R76-E80 WeakPolarHBondContact O-CB 3.46Å; R76-E80 PolarHBondContact O-N 3.22Å; K77-E80 PolarHBondContact O-N 2.88Å; K78-E80 PolarHBondContact O-N 2.96Å; E80-R83 PolarHBondContact O-N 2.57Å; E80-V84 WeakPolarHBondContact O-CG2 3.36Å; E80-V84 PolarHBondContact O-N 2.81Å
81	K	82.4	Confident	76.2	Confident	158 Å²	158	113.5 Å²	113.5	69%	0.687	56%	0.559	S	S	*	*	H	α-helix	trans	-60	-45.1	172.9	-175	-174.8	177.3	-174.1	0	111.9	K77 K78 R83 V84 S85	K77-K81 WeakPolarHBondContact O-CB 3.29Å; K77-K81 PolarHBondContact O-N 2.97Å; K78-K81 CarbonylContact O-C 3.52Å; K78-K81 WeakPolarHBondContact O-CB 3.37Å; K78-K81 PolarHBondContact O-N 2.98Å; K78-K81 VanDerWaalsContact O-N 3.07Å; K81-R83 VanDerWaalsContact C-N 3.32Å; K81-R83 PolarHBondContact O-N 2.94Å; K81-V84 PolarHBondContact O-N 3.24Å; K81-S85 PolarHBondContact O-N 3.34Å
82	D	77.3	Confident	74.1	Confident	69 Å²	69	119.1 Å²	119.1	37%	0.369	58%	0.576	S	S	.	*	H	α-helix	trans	-59.9	-45.3	177.9	-60.4	-18.5	0	0	0	109.5	K78 V84 S85 C86	K78-D82 WeakPolarHBondContact O-CB 3.23Å; K78-D82 PolarHBondContact O-N 3.22Å; D82-V84 PolarHBondContact O-N 3.35Å; D82-S85 PolarHBondContact O-N 3Å; D82-S85 VanDerWaalsContact O-N 3.14Å; D82-S85 PolarHBondContact O-OG 2.85Å; D82-C86 PolarHBondContact O-N 2.69Å; D82-C86 PolarHBondContact O-SG 2.83Å
83	R	77.3	Confident	72	Confident	143 Å²	143	121.7 Å²	121.7	54%	0.54	58%	0.583	S	S	.	*	H	α-helix	trans	-62.4	-41.2	175.8	-150.6	-170.6	96.5	-132.5	-10	112.6	K79 E80 K81 S85 C86 E87	K79-R83 WeakPolarHBondContact O-CB 3.45Å; K79-R83 PolarHBondContact O-N 3.28Å; E80-R83 PolarHBondContact O-N 2.57Å; K81-R83 VanDerWaalsContact C-N 3.32Å; K81-R83 PolarHBondContact O-N 2.94Å; R83-S85 VanDerWaalsContact C-N 3.31Å; R83-S85 PolarHBondContact O-N 2.6Å; R83-C86 PolarHBondContact O-N 2.89Å; R83-E87 IonicContact CZ-OE1 2.93Å; R83-E87 IonicContact NE-OE1 2.63Å; R83-E87 PolarHBondContact NE-OE1 3.18Å; R83-E87 IonicContact NH2-OE1 3.41Å; R83-E87 PolarHBondContact NH2-OE1 3.14Å; R83-E87 IonicContact NH2-OE2 3.86Å; R83-E87 PolarHBondContact NH2-OE2 3.37Å; R83-E87 WeakPolarHBondContact O-CB 3.45Å; R83-E87 WeakPolarHBondContact O-CG 3.47Å; R83-E87 PolarHBondContact O-N 3.38Å
84	V	69.8	Low	70.2	Confident	74 Å²	74	122.9 Å²	122.9	45%	0.448	59%	0.594	S	S	.	*	H	α-helix	trans	-63.9	-35.7	174.5	170.5	0	0	0	0	111.5	E80 K81 D82 E87 T88	E80-V84 WeakPolarHBondContact O-CG2 3.36Å; E80-V84 PolarHBondContact O-N 2.81Å; K81-V84 PolarHBondContact O-N 3.24Å; D82-V84 PolarHBondContact O-N 3.35Å; V84-E87 PolarHBondContact O-N 3.16Å; V84-T88 PolarHBondContact O-N 3Å; V84-T88 VanDerWaalsContact O-N 3.09Å; V84-T88 PolarHBondContact O-OG1 3.39Å
85	S	57.9	Low	67.9	Low	61 Å²	61	124.3 Å²	124.3	43%	0.427	59%	0.594	S	S	.	*	H	α-helix	trans	-67.3	-37.6	174	72.3	0	0	0	0	112.6	K81 D82 R83 T88 Q89	K81-S85 PolarHBondContact O-N 3.34Å; D82-S85 PolarHBondContact O-N 3Å; D82-S85 VanDerWaalsContact O-N 3.14Å; D82-S85 PolarHBondContact O-OG 2.85Å; R83-S85 VanDerWaalsContact C-N 3.31Å; R83-S85 PolarHBondContact O-N 2.6Å; S85-T88 WeakPolarHBondContact CA-OG1 3.32Å; S85-T88 PolarHBondContact O-N 3.28Å; S85-T88 PolarHBondContact O-OG1 2.82Å; S85-Q89 PolarHBondContact O-N 3.11Å
86	C	58.5	Low	66.7	Low	89 Å²	89	123.6 Å²	123.6	60%	0.601	60%	0.595	S	S	*	*	H	α-helix	trans	-67.2	-34.4	171.2	-59.1	0	0	0	0	112.6	D82 R83 T88	D82-C86 PolarHBondContact O-N 2.69Å; D82-C86 PolarHBondContact O-SG 2.83Å; R83-C86 PolarHBondContact O-N 2.89Å; C86-T88 VanDerWaalsContact C-N 3.27Å; C86-T88 PolarHBondContact O-N 3.39Å
87	E	57.6	Low	64.7	Low	120 Å²	120	124.6 Å²	124.6	56%	0.561	61%	0.606	S	S	*	*	H	α-helix	trans	-75.6	-11.5	177.6	-74.5	171.3	-170.6	0	0	113.4	R83 V84	R83-E87 IonicContact CZ-OE1 2.93Å; R83-E87 IonicContact NE-OE1 2.63Å; R83-E87 PolarHBondContact NE-OE1 3.18Å; R83-E87 IonicContact NH2-OE1 3.41Å; R83-E87 PolarHBondContact NH2-OE1 3.14Å; R83-E87 IonicContact NH2-OE2 3.86Å; R83-E87 PolarHBondContact NH2-OE2 3.37Å; R83-E87 WeakPolarHBondContact O-CB 3.45Å; R83-E87 WeakPolarHBondContact O-CG 3.47Å; R83-E87 PolarHBondContact O-N 3.38Å; V84-E87 PolarHBondContact O-N 3.16Å
88	T	54.1	Low	63.2	Low	96 Å²	96	123.1 Å²	123.1	59%	0.589	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	2.1	-179.9	44.4	0	0	0	0	114.6	V84 S85 C86 T90	V84-T88 PolarHBondContact O-N 3Å; V84-T88 VanDerWaalsContact O-N 3.09Å; V84-T88 PolarHBondContact O-OG1 3.39Å; S85-T88 WeakPolarHBondContact CA-OG1 3.32Å; S85-T88 PolarHBondContact O-N 3.28Å; S85-T88 PolarHBondContact O-OG1 2.82Å; C86-T88 VanDerWaalsContact C-N 3.27Å; C86-T88 PolarHBondContact O-N 3.39Å; T88-T90 PolarHBondContact O-N 3.37Å
89	Q	47.3	Very low	62.1	Low	167 Å²	167	119.8 Å²	119.8	78%	0.78	60%	0.595	S	S	*	*			trans	-77.1	69.3	169.1	-75.9	-173.4	-48	0	0	112.1	S85	S85-Q89 PolarHBondContact O-N 3.11Å
90	T	47.9	Very low	61.2	Low	130 Å²	130	121.4 Å²	121.4	80%	0.798	60%	0.599	S	S	*	*			trans	-74.8	129.9	144.3	48.5	0	0	0	0	107.7	T88 E92	T88-T90 PolarHBondContact O-N 3.37Å; T90-E92 PolarHBondContact O-N 2.68Å
91	E	49.2	Very low	60.1	Low	189 Å²	189	123 Å²	123	88%	0.883	60%	0.601	S	S	*	*			trans	-57.2	134.7	-178.9	-63.2	179.8	148.8	0	0	111.1	Y93	E91-Y93 PolarHBondContact O-N 3.09Å
92	E	52.3	Low	59.4	Low	177 Å²	177	120.6 Å²	120.6	83%	0.827	60%	0.596	S	S	*	*			trans	-68.5	102.2	179	-174.9	173.5	-170.2	0	0	109	T90 V94	T90-E92 PolarHBondContact O-N 2.68Å; E92-V94 VanDerWaalsContact C-N 3.26Å; E92-V94 HydrophobicContact CG-CG2 4.41Å; E92-V94 PolarHBondContact O-N 3.42Å
93	Y	52.8	Low	59.1	Low	143 Å²	143	126.5 Å²	126.5	56%	0.561	62%	0.615	S	S	*	*			trans	-72.2	83.1	-179.1	-176.7	-102	0	0	0	110.6	E91 W95 D99	E91-Y93 PolarHBondContact O-N 3.09Å; Y93-W95 AromaticContact CD1-CD1 3.67Å; Y93-W95 HydrophobicContact CD1-CG 4.23Å; Y93-W95 AromaticContact CD1-NE1 3.66Å; Y93-W95 AromaticContact CE1-CD1 3.71Å; Y93-W95 AromaticContact CE1-CD2 3.85Å; Y93-W95 HydrophobicContact CE1-CD2 3.85Å; Y93-W95 AromaticContact CE1-CE2 3.75Å; Y93-W95 AromaticContact CE1-CG 3.84Å; Y93-W95 HydrophobicContact CE1-CG 3.84Å; Y93-W95 HydrophobicContact CE1-CZ2 4.37Å; Y93-W95 AromaticContact CE1-NE1 3.66Å; Y93-W95 PolarHBondContact O-N 3.06Å; Y93-W95 VanDerWaalsContact O-N 3.14Å; Y93-D99 VanDerWaalsContact OH-CG 3.3Å; Y93-D99 PolarHBondContact OH-OD2 2.87Å
94	V	56	Low	58	Low	110 Å²	110	127.3 Å²	127.3	67%	0.667	62%	0.619	S	S	*	*			trans	-67.6	105.3	167.9	-179	0	0	0	0	107.8	E92 T96	E92-V94 VanDerWaalsContact C-N 3.26Å; E92-V94 HydrophobicContact CG-CG2 4.41Å; E92-V94 PolarHBondContact O-N 3.42Å; V94-T96 PolarHBondContact O-N 3.42Å
95	W	44.8	Very low	57.3	Low	163 Å²	163	131.6 Å²	131.6	62%	0.617	63%	0.628	S	S	*	*			trans	-54.3	124.2	174.8	-77.6	70.2	0	0	0	110.2	Y93 D99	Y93-W95 AromaticContact CD1-CD1 3.67Å; Y93-W95 HydrophobicContact CD1-CG 4.23Å; Y93-W95 AromaticContact CD1-NE1 3.66Å; Y93-W95 AromaticContact CE1-CD1 3.71Å; Y93-W95 AromaticContact CE1-CD2 3.85Å; Y93-W95 HydrophobicContact CE1-CD2 3.85Å; Y93-W95 AromaticContact CE1-CE2 3.75Å; Y93-W95 AromaticContact CE1-CG 3.84Å; Y93-W95 HydrophobicContact CE1-CG 3.84Å; Y93-W95 HydrophobicContact CE1-CZ2 4.37Å; Y93-W95 AromaticContact CE1-NE1 3.66Å; Y93-W95 PolarHBondContact O-N 3.06Å; Y93-W95 VanDerWaalsContact O-N 3.14Å; W95-D99 HydrophobicContact CE3-CB 3.75Å; W95-D99 HydrophobicContact CZ3-CB 4.17Å
96	T	66.9	Low	56.8	Low	67 Å²	67	131.6 Å²	131.6	41%	0.411	64%	0.637	S	S	.	*			trans	-81.7	155.5	175	73.4	0	0	0	0	110.3	V94 T98 D99 Y100	V94-T96 PolarHBondContact O-N 3.42Å; T96-T98 PolarHBondContact O-N 3.28Å; T96-T98 VanDerWaalsContact O-N 3.12Å; T96-T98 PolarHBondContact OG1-OG1 2.79Å; T96-D99 WeakPolarHBondContact CB-OD2 3.26Å; T96-D99 PolarHBondContact N-OD2 2.81Å; T96-D99 WeakPolarHBondContact O-CB 3.42Å; T96-D99 PolarHBondContact O-N 2.83Å; T96-D99 VanDerWaalsContact OG1-CG 3.3Å; T96-D99 PolarHBondContact OG1-OD2 3.47Å; T96-Y100 PolarHBondContact O-N 3.45Å
97	E	50.3	Low	56.1	Low	176 Å²	176	130.3 Å²	130.3	82%	0.822	64%	0.639	S	S	*	*	H	α-helix	trans	-58.3	-27.8	178.2	-157.4	166	-153.3	0	0	111.9	Y101	E97-Y101 PolarHBondContact O-N 2.84Å
98	T	58.3	Low	55.1	Low	92 Å²	92	135.2 Å²	135.2	56%	0.564	65%	0.654	S	S	*	*	H	α-helix	trans	-61.3	-39.7	169.8	2.8	0	0	0	0	114.3	T96 Y101 N102	T96-T98 PolarHBondContact O-N 3.28Å; T96-T98 VanDerWaalsContact O-N 3.12Å; T96-T98 PolarHBondContact OG1-OG1 2.79Å; T98-Y101 PolarHBondContact O-N 3.39Å; T98-N102 PolarHBondContact O-N 3.27Å; T98-N102 PolarHBondContact O-ND2 3.35Å
99	D	68.1	Low	54.1	Low	46 Å²	46	135.8 Å²	135.8	25%	0.246	66%	0.661	C	S	.	*	H	α-helix	trans	-71.6	-40	-176.6	-59	-55.5	0	0	0	110.8	Y93 W95 T96 Y101 N102 Y103	Y93-D99 VanDerWaalsContact OH-CG 3.3Å; Y93-D99 PolarHBondContact OH-OD2 2.87Å; W95-D99 HydrophobicContact CE3-CB 3.75Å; W95-D99 HydrophobicContact CZ3-CB 4.17Å; T96-D99 WeakPolarHBondContact CB-OD2 3.26Å; T96-D99 PolarHBondContact N-OD2 2.81Å; T96-D99 WeakPolarHBondContact O-CB 3.42Å; T96-D99 PolarHBondContact O-N 2.83Å; T96-D99 VanDerWaalsContact OG1-CG 3.3Å; T96-D99 PolarHBondContact OG1-OD2 3.47Å; D99-Y101 PolarHBondContact O-N 3.39Å; D99-N102 PolarHBondContact O-N 3.33Å; D99-Y103 PolarHBondContact O-N 3.19Å; D99-Y103 VanDerWaalsContact O-N 3.08Å
100	Y	69.5	Low	53.6	Low	160 Å²	160	135.6 Å²	135.6	63%	0.627	66%	0.66	S	S	*	*	H	α-helix	trans	-60.3	-43.8	173.6	-172.9	-98.9	0	0	0	111.8	T96 Y103 Y104	T96-Y100 PolarHBondContact O-N 3.45Å; Y100-Y103 PolarHBondContact O-N 3.4Å; Y100-Y104 PolarHBondContact O-N 2.73Å
101	Y	62.8	Low	52.8	Low	152 Å²	152	136.6 Å²	136.6	60%	0.596	66%	0.66	S	S	*	*	H	α-helix	trans	-69.8	-40.3	-179.4	-141.7	-82.5	0	0	0	112.6	E97 T98 D99 Y104 Y105	E97-Y101 PolarHBondContact O-N 2.84Å; T98-Y101 PolarHBondContact O-N 3.39Å; D99-Y101 PolarHBondContact O-N 3.39Å; Y101-Y104 PolarHBondContact O-N 2.89Å; Y101-Y105 AromaticContact CD1-CD2 3.94Å; Y101-Y105 HydrophobicContact CD1-CD2 3.94Å; Y101-Y105 HydrophobicContact CD1-CG 4.47Å; Y101-Y105 AromaticContact CE1-CD2 3.66Å; Y101-Y105 HydrophobicContact CE1-CD2 3.66Å; Y101-Y105 HydrophobicContact CE1-CE2 4.37Å; Y101-Y105 HydrophobicContact CE1-CG 4.11Å; Y101-Y105 PolarHBondContact O-N 2.6Å
102	N	69.6	Low	51.8	Low	109 Å²	109	131.4 Å²	131.4	58%	0.583	65%	0.65	S	S	*	*	H	α-helix	trans	-62.8	-41.1	175.4	-89.5	-38.6	0	0	0	112.3	T98 D99 Y104 G106	T98-N102 PolarHBondContact O-N 3.27Å; T98-N102 PolarHBondContact O-ND2 3.35Å; D99-N102 PolarHBondContact O-N 3.33Å; N102-Y104 VanDerWaalsContact C-N 3.3Å; N102-Y104 PolarHBondContact O-N 2.88Å; N102-G106 WeakPolarHBondContact O-CA 3.46Å; N102-G106 PolarHBondContact O-N 2.71Å
103	Y	69.9	Low	50.7	Low	193 Å²	193	132.5 Å²	132.5	76%	0.757	66%	0.655	S	S	*	*	H	α-helix	trans	-62.7	-35	179.3	-170.6	-97	0	0	0	112.9	D99 Y100	D99-Y103 PolarHBondContact O-N 3.19Å; D99-Y103 VanDerWaalsContact O-N 3.08Å; Y100-Y103 PolarHBondContact O-N 3.4Å
104	Y	54.4	Low	49.4	Very low	159 Å²	159	129 Å²	129	62%	0.624	66%	0.663	S	S	*	*	H	α-helix	trans	-90.7	-26.7	-177.8	-115.9	-84.6	0	0	0	115	Y100 Y101 N102	Y100-Y104 PolarHBondContact O-N 2.73Å; Y101-Y104 PolarHBondContact O-N 2.89Å; N102-Y104 VanDerWaalsContact C-N 3.3Å; N102-Y104 PolarHBondContact O-N 2.88Å
105	Y	54.6	Low	48.1	Very low	165 Å²	165	128.8 Å²	128.8	65%	0.647	67%	0.673	S	S	*	*	H	α-helix	trans	-129.4	-2.5	-171	-69	-75.2	0	0	0	116.2	Y101 G107	Y101-Y105 AromaticContact CD1-CD2 3.94Å; Y101-Y105 HydrophobicContact CD1-CD2 3.94Å; Y101-Y105 HydrophobicContact CD1-CG 4.47Å; Y101-Y105 AromaticContact CE1-CD2 3.66Å; Y101-Y105 HydrophobicContact CE1-CD2 3.66Å; Y101-Y105 HydrophobicContact CE1-CE2 4.37Å; Y101-Y105 HydrophobicContact CE1-CG 4.11Å; Y101-Y105 PolarHBondContact O-N 2.6Å; Y105-G107 PolarHBondContact O-N 3.36Å
106	G	47.6	Very low	47.2	Very low	60 Å²	60	127.9 Å²	127.9	62%	0.619	68%	0.68	S	S	*	*			trans	-70.2	32.8	-174.8	0	0	0	0	0	117.1	N102	N102-G106 WeakPolarHBondContact O-CA 3.46Å; N102-G106 PolarHBondContact O-N 2.71Å
107	G	43.6	Very low	45.4	Very low	63 Å²	63	129.2 Å²	129.2	65%	0.649	69%	0.692	S	S	*	*			trans	-94.1	3.6	-165.6	0	0	0	0	0	117.9	Y105	Y105-G107 PolarHBondContact O-N 3.36Å
108	Y	36.3	Very low	44.4	Very low	222 Å²	222	128.2 Å²	128.2	87%	0.871	69%	0.687	S	S	*	*	S	Bend	trans	-139.4	126.2	-174.3	-86.3	-86.4	0	0	0	115.5
109	C	33.4	Very low	42.9	Very low	108 Å²	108	132.2 Å²	132.2	73%	0.73	70%	0.7	S	S	*	*			trans	60.1	85.3	149.7	-65.4	0	0	0	0	122.1
110	Q	37.8	Very low	41	Very low	164 Å²	164	133.9 Å²	133.9	77%	0.766	73%	0.728	S	S	*	*				67.4	112.1	103.3	-170.5	166.4	64.4	0	0	121.4
111	N	29.6	Very low	39	Very low	150 Å²	150	135 Å²	135	80%	0.802	74%	0.744	S	S	*	*			trans	57.5	132.8	149.5	-52.1	-5.9	0	0	0	118
112	A	28.6	Very low	37.2	Very low	81 Å²	81	131 Å²	131	67%	0.669	75%	0.748	S	S	*	*			cis	-178.8	170.7	43.7	0	0	0	0	0	110.4
113	E	28.9	Very low	35.2	Very low	199 Å²	199	134.1 Å²	134.1	93%	0.93	76%	0.764	S	S	*	*			trans	63.3	148.2	163.5	-64.9	164.6	-154.4	0	0	117.5
114	G	27.2	Very low	33.1	Very low	70 Å²	70	131.3 Å²	131.3	72%	0.722	77%	0.767	S	S	*	*			cis	165	147	-9.1	0	0	0	0	0	112.2
115	A	28.4	Very low	31.7	Very low	106 Å²	106	130 Å²	130	88%	0.876	78%	0.776	S	S	*	*			trans	66.9	152.3	173.7	0	0	0	0	0	117.7
116	D	26.3	Very low	30.3	Very low	143 Å²	143	127.2 Å²	127.2	77%	0.765	79%	0.787	S	S	*	*			cis	-167.5	155.6	-24.7	-165.9	-21.8	0	0	0	108.7
117	S	29.1	Very low	29.3	Very low	96 Å²	96	128.7 Å²	128.7	67%	0.671	79%	0.793	S	S	*	*			trans	68.7	145.9	156.2	-72.1	0	0	0	0	119.6
118	Q	28.6	Very low	28.4	Very low	154 Å²	154	130.8 Å²	130.8	72%	0.72	81%	0.805	S	S	*	*			cis	-158.7	162.5	-8	-159.6	-177.6	-80.2	0	0	110.5
119	E	27.5	Very low	28	Very low	176 Å²	176	125 Å²	125	82%	0.822	80%	0.802	S	S	*	*			trans	77.9	144.2	162.9	-48.9	-159.4	165	0	0	120.2
120	G	27.4	Very low	27.6	Very low	81 Å²	81	129 Å²	129	84%	0.835	81%	0.81	S	S	*	*			trans	140.7	107.5	176.2	0	0	0	0	0	114
121	L	27.1	Very low	27.1	Very low	184 Å²	184	124.5 Å²	124.5	96%	0.963	81%	0.809	S	S	*	*			trans	-86.8	130	-179.3	-86.3	158	0	0	0	113.2
122	G	25.5	Very low	27.1	Very low	67 Å²	67	123.6 Å²	123.6	69%	0.691	81%	0.808	S	S	*	*				104.2	109.1	117.6	0	0	0	0	0	120.5
123	L	27.5	Very low	27.2	Very low	176 Å²	176	125 Å²	125	92%	0.921	81%	0.808	S	S	*	*			trans	78.7	127.3	143.9	-147.5	72.1	0	0	0	118.9
124	T	26.3	Very low	27.2	Very low	133 Å²	133	122.7 Å²	122.7	82%	0.816	80%	0.803	S	S	*	*			trans	-94.9	131.5	-176.6	51.1	0	0	0	0	113.4
125	T	25.4	Very low	28	Very low	132 Å²	132	124.7 Å²	124.7	81%	0.81	80%	0.803	S	S	*	*			trans	-68.8	150.1	161.9	-53.9	0	0	0	0	111	A127	T125-A127 HydrophobicContact CG2-CB 4.38Å
126	A	24.4	Very low	28	Very low	107 Å²	107	125 Å²	125	88%	0.884	80%	0.798	S	S	*	*			trans	-140.5	92.2	162.4	0	0	0	0	0	109.6
127	A	25.7	Very low	27.9	Very low	90 Å²	90	124.9 Å²	124.9	74%	0.744	80%	0.803	S	S	*	*			trans	-124.6	130.7	170.1	0	0	0	0	0	108.3	T125	T125-A127 HydrophobicContact CG2-CB 4.38Å
128	A	25	Very low	27.7	Very low	108 Å²	108	124.8 Å²	124.8	89%	0.893	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-96.5	126.1	164.5	0	0	0	0	0	107.4
129	A	27.8	Very low	27.4	Very low	99 Å²	99	122 Å²	122	82%	0.818	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-93.5	153.7	-179	0	0	0	0	0	112.1
130	E	26.5	Very low	27.2	Very low	192 Å²	192	118.6 Å²	118.6	90%	0.897	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-70.3	158.4	157.8	-65.7	-97.2	122.3	0	0	109.6
131	G	26.9	Very low	27	Very low	71 Å²	71	118.8 Å²	118.8	73%	0.732	81%	0.807	S	S	*	*			trans	-109.9	154.5	177.6	0	0	0	0	0	113.6
132	V	28	Very low	26.8	Very low	131 Å²	131	116.4 Å²	116.4	79%	0.794	80%	0.8	S	S	*	*			trans	-143.2	113.5	-175.6	173	0	0	0	0	112.6
133	T	32.1	Very low	26.7	Very low	109 Å²	109	120.2 Å²	120.2	67%	0.669	80%	0.804	S	S	*	*			trans	44	127.6	150.3	64.4	0	0	0	0	125
134	D	28.7	Very low	26.7	Very low	152 Å²	152	116.9 Å²	116.9	81%	0.813	79%	0.791	S	S	*	*			trans	60.3	171	130.3	-61.3	-22.1	0	0	0	121
135	P	44.3	Very low	26.7	Very low	112 Å²	112	116.3 Å²	116.3	73%	0.727	79%	0.788	S	S	*	*			cis	-135.9	174.7	1.9	42.6	-25.5	0	0	0	118.5
136	S	27.4	Very low	26.6	Very low	112 Å²	112	116.9 Å²	116.9	78%	0.783	79%	0.786	S	S	*	*			trans	54.5	138.6	148.1	-80.4	0	0	0	0	124.7
137	T	24.3	Very low	26.6	Very low	141 Å²	141	122 Å²	122	87%	0.865	78%	0.784	S	S	*	*				178.6	140	109.7	-71	0	0	0	0	115
138	A	24.6	Very low	26.8	Very low	93 Å²	93	121.3 Å²	121.3	77%	0.769	77%	0.774	S	S	*	*			trans	-17.3	158.7	173.8	0	0	0	0	0	127
139	A	23	Very low	26.9	Very low	95 Å²	95	122.5 Å²	122.5	79%	0.785	77%	0.77	S	S	*	*				113.4	127.4	129	0	0	0	0	0	122.2
140	A	23.5	Very low	26.8	Very low	106 Å²	106	121.5 Å²	121.5	88%	0.876	76%	0.762	S	S	*	*			trans	62.9	149.7	152.2	0	0	0	0	0	121.3
141	A	22.8	Very low	26.9	Very low	84 Å²	84	118.7 Å²	118.7	69%	0.694	76%	0.757	S	S	*	*			cis	-169.6	173	-19.7	0	0	0	0	0	112.2
142	V	23.4	Very low	27	Very low	135 Å²	135	119.1 Å²	119.1	82%	0.818	74%	0.743	S	S	*	*			trans	70.1	145.7	159.3	-65.7	0	0	0	0	124.3
143	D	23.3	Very low	27	Very low	147 Å²	147	113.8 Å²	113.8	79%	0.786	71%	0.712	S	S	*	*			trans	68.4	143.2	157	-79.6	26.7	0	0	0	123.3
144	V	26.3	Very low	27	Very low	106 Å²	106	110.8 Å²	110.8	64%	0.642	69%	0.692	S	S	*	*			cis	-168.5	137.9	-25.4	107.4	0	0	0	0	112.3
145	T	27.1	Very low	27.1	Very low	121 Å²	121	106.4 Å²	106.4	74%	0.742	67%	0.671	S	S	*	*			trans	54.1	160.1	162.5	60.1	0	0	0	0	120.6
146	D	23.5	Very low	26.4	Very low	144 Å²	144	106 Å²	106	77%	0.77	67%	0.667	S	S	*	*			cis	-157.8	167.2	10.6	-136.7	-22.4	0	0	0	114.2
147	Y	25.1	Very low	26.5	Very low	214 Å²	214	107.2 Å²	107.2	84%	0.839	66%	0.664	S	S	*	*			trans	27.9	143.5	148.9	-153.8	-99.7	0	0	0	123.1
148	S	30	Very low	26.6	Very low	76 Å²	76	109.2 Å²	109.2	53%	0.531	66%	0.664	S	S	.	*			cis	-170.3	160.1	-20.9	-123	0	0	0	0	109.2
149	T	26.1	Very low	26.7	Very low	132 Å²	132	108.8 Å²	108.8	81%	0.81	66%	0.66	S	S	*	*				64.9	136.1	78.8	-42.6	0	0	0	0	116.9
150	A	26.3	Very low	26.7	Very low	79 Å²	79	111 Å²	111	65%	0.653	67%	0.665	S	S	*	*			cis	-174.9	170.5	-28.5	0	0	0	0	0	111.8
151	V	28.8	Very low	26.9	Very low	133 Å²	133	110 Å²	110	81%	0.806	66%	0.656	S	S	*	*			trans	61	158.2	163.9	-69.3	0	0	0	0	120.3
152	D	28.1	Very low	27.7	Very low	79 Å²	79	111.6 Å²	111.6	42%	0.422	66%	0.659	S	S	.	*			cis	128	142	-1.1	-92.8	-113.5	0	0	0	112.8	A190	D152-A190 HydrophobicContact CB-CB 3.77Å
153	A	28.1	Very low	27.7	Very low	19 Å²	19	112.8 Å²	112.8	16%	0.157	66%	0.661	C	S	.	*				171.8	178.9	70.7	0	0	0	0	0	120.3	D186 M187 R189 A190 T191	A153-D186 WeakPolarHBondContact CB-O 3.43Å; A153-M187 CarbonylContact C-O 3.58Å; A153-M187 VanDerWaalsContact C-O 3.24Å; A153-M187 VanDerWaalsContact CB-CA 3.45Å; A153-M187 WeakPolarHBondContact O-CG 3.47Å; A153-M187 VanDerWaalsContact O-O 3.04Å; A153-R189 HydrophobicContact CB-CB 4.43Å; A153-A190 HydrophobicContact CB-CB 4.03Å; A153-T191 VanDerWaalsContact CA-N 3.27Å
154	L	31.8	Very low	27.8	Very low	46 Å²	46	109.1 Å²	109.1	24%	0.241	65%	0.651	C	S	.	*			trans	-84.9	173.3	-171.9	-175.4	47.7	0	0	0	122	M187 L188 T191 A192	L154-M187 WeakPolarHBondContact CA-O 3.25Å; L154-M187 PolarHBondContact N-O 2.94Å; L154-L188 VanDerWaalsContact CB-C 3.47Å; L154-L188 HydrophobicContact CD1-CB 3.81Å; L154-L188 HydrophobicContact CD1-CD2 3.23Å; L154-L188 HydrophobicContact CD1-CG 4.05Å; L154-L188 WeakPolarHBondContact CD2-O 3.36Å; L154-T191 CarbonylContact O-C 3.55Å; L154-T191 WeakPolarHBondContact O-CA 3.43Å; L154-T191 WeakPolarHBondContact O-CB 3.34Å; L154-T191 WeakPolarHBondContact O-CG2 3.5Å; L154-A192 HydrophobicContact CB-CB 4.06Å; L154-A192 HydrophobicContact CD2-CB 3.4Å; L154-A192 HydrophobicContact CG-CB 3.84Å
155	T	30.6	Very low	27.8	Very low	61 Å²	61	109.6 Å²	109.6	37%	0.374	66%	0.659	S	S	.	*			trans	64.8	153.9	153.4	35.3	0	0	0	0	119.8	T191 A192	T155-T191 PolarHBondContact OG1-O 3.05Å; T155-A192 HydrophobicContact CG2-CB 4.17Å; T155-A192 WeakPolarHBondContact OG1-CA 3.48Å; T155-A192 VanDerWaalsContact OG1-CB 3.31Å; T155-A192 WeakPolarHBondContact OG1-CB 3.34Å; T155-A192 PolarHBondContact OG1-N 2.94Å; T155-A192 VanDerWaalsContact OG1-N 3.12Å
156	T	30.1	Very low	27.8	Very low	104 Å²	104	108.4 Å²	108.4	64%	0.638	66%	0.662	S	S	*	*			cis	-154.7	149.2	-27	8.3	0	0	0	0	112.4
157	N	29.7	Very low	28.1	Very low	137 Å²	137	106.7 Å²	106.7	73%	0.733	66%	0.661	S	S	*	*			trans	35.8	119.6	140	-63.7	12	0	0	0	123.8
158	E	26.7	Very low	28.3	Very low	182 Å²	182	101.3 Å²	101.3	85%	0.85	66%	0.661	S	S	*	*				98.1	131.6	122.9	-80.8	-154.2	107.7	0	0	124.5
159	A	26.4	Very low	28.1	Very low	84 Å²	84	106.9 Å²	106.9	69%	0.694	68%	0.678	S	S	*	*			trans	90.6	127.5	140.6	0	0	0	0	0	122
160	T	23.9	Very low	28.1	Very low	143 Å²	143	106.6 Å²	106.6	88%	0.877	68%	0.68	S	S	*	*			trans	91.2	131.3	153.1	-40	0	0	0	0	118.6
161	A	26.8	Very low	28.2	Very low	85 Å²	85	107.7 Å²	107.7	70%	0.702	68%	0.684	S	S	*	*			trans	-128.7	164.6	166.3	0	0	0	0	0	106.6
162	P	40.3	Very low	28.1	Very low	117 Å²	117	109.7 Å²	109.7	76%	0.76	68%	0.684	S	S	*	*			cis	-150	179.9	29.5	45	-25.2	0	0	0	118.9
163	D	22	Very low	28.1	Very low	159 Å²	159	112.6 Å²	112.6	85%	0.85	70%	0.704	S	S	*	*			trans	85.4	156.5	141.1	-145.6	10.3	0	0	0	122.2
164	A	25.8	Very low	28.2	Very low	71 Å²	71	115.7 Å²	115.7	59%	0.587	73%	0.73	S	S	*	*			trans	75.4	68.5	151.6	0	0	0	0	0	122.1
165	S	26.6	Very low	29.1	Very low	116 Å²	116	119.6 Å²	119.6	81%	0.811	76%	0.758	S	S	*	*				78.7	150.9	122.2	76.5	0	0	0	0	123
166	A	28.1	Very low	29.1	Very low	95 Å²	95	120.2 Å²	120.2	79%	0.785	77%	0.77	S	S	*	*			trans	69.2	143.6	165.5	0	0	0	0	0	119
167	S	28.5	Very low	29.4	Very low	108 Å²	108	124.9 Å²	124.9	76%	0.755	78%	0.784	S	S	*	*			cis	-173.2	137.3	-27.7	49.3	0	0	0	0	110.8
168	A	29.7	Very low	29.4	Very low	102 Å²	102	122.1 Å²	122.1	84%	0.843	79%	0.788	S	S	*	*			trans	67.6	156.2	170.4	0	0	0	0	0	115.7
169	E	25.6	Very low	29.7	Very low	192 Å²	192	117.4 Å²	117.4	90%	0.897	79%	0.788	S	S	*	*			cis	-119	169.5	9.6	-70.5	-173.6	115.1	0	0	114.7
170	C	25.3	Very low	30.4	Very low	126 Å²	126	121.6 Å²	121.6	85%	0.851	80%	0.799	S	S	*	*			trans	-78	172	170.9	-69.2	0	0	0	0	111.5
171	S	29.8	Very low	31.3	Very low	103 Å²	103	119 Å²	119	72%	0.72	79%	0.791	S	S	*	*			cis	-155.1	177.9	17.4	-144	0	0	0	0	114.5
172	E	26.8	Very low	32.5	Very low	175 Å²	175	117.8 Å²	117.8	82%	0.818	79%	0.787	S	S	*	*			trans	-40.8	161.9	169.1	-56.3	-177.8	126.7	0	0	115.1
173	V	27.3	Very low	34.3	Very low	139 Å²	139	115 Å²	115	84%	0.842	77%	0.771	S	S	*	*				-153.3	148.9	57.3	173.2	0	0	0	0	113.6
174	A	31.1	Very low	36.9	Very low	85 Å²	85	113.5 Å²	113.5	70%	0.702	76%	0.762	S	S	*	*			trans	-129.5	177.9	168.3	0	0	0	0	0	109.1
175	P	49.3	Very low	39	Very low	127 Å²	127	113 Å²	113	83%	0.825	76%	0.758	S	S	*	*			cis	-117.1	-140.2	-1.1	26.7	-0.3	0	0	0	109.7
176	A	31.5	Very low	41.4	Very low	75 Å²	75	110.9 Å²	110.9	62%	0.62	74%	0.737	S	S	*	*			cis	-163.9	166.2	8.7	0	0	0	0	0	113.5
177	E	35.2	Very low	43.8	Very low	202 Å²	202	111.7 Å²	111.7	94%	0.944	73%	0.726	S	S	*	*			trans	63.4	137.5	164.6	-52.6	-168.4	-174.4	0	0	118.4
178	G	30.7	Very low	46.1	Very low	79 Å²	79	111.3 Å²	111.3	81%	0.814	72%	0.715	S	S	*	*			cis	169.4	131.4	-10.9	0	0	0	0	0	114.6
179	G	33.3	Very low	48.4	Very low	82 Å²	82	112.5 Å²	112.5	85%	0.845	70%	0.698	S	S	*	*			trans	86.4	107.4	158.6	0	0	0	0	0	118.6
180	D	39.9	Very low	50.9	Low	172 Å²	172	104.2 Å²	104.2	92%	0.92	66%	0.662	S	S	*	*				-152.4	161.7	92	-162.9	9.5	0	0	0	109.4
181	A	42.8	Very low	53.4	Low	88 Å²	88	100.2 Å²	100.2	73%	0.727	63%	0.634	S	S	*	*			trans	-115.9	97.2	-174.4	0	0	0	0	0	111.8
182	G	52.7	Low	55.3	Low	60 Å²	60	95.9 Å²	95.9	62%	0.619	60%	0.604	S	S	*	*			trans	-54.7	155.4	167.2	0	0	0	0	0	112
183	S	78.7	Confident	57.5	Low	60 Å²	60	92.3 Å²	92.3	42%	0.42	59%	0.587	S	S	.	*			trans	-63	147.4	-174.1	-171.3	0	0	0	0	110.7	A185 D186 M187	S183-A185 PolarHBondContact O-N 3.49Å; S183-A185 PolarHBondContact OG-N 3.44Å; S183-A185 VanDerWaalsContact OG-N 3.15Å; S183-D186 WeakPolarHBondContact CA-OD2 3.43Å; S183-D186 WeakPolarHBondContact CB-OD2 3.17Å; S183-D186 PolarHBondContact N-OD2 3.4Å; S183-D186 WeakPolarHBondContact O-CA 3.33Å; S183-D186 WeakPolarHBondContact O-CB 3.48Å; S183-D186 PolarHBondContact O-N 2.86Å; S183-M187 PolarHBondContact O-N 2.96Å
184	I	75.9	Confident	59.7	Low	127 Å²	127	90.4 Å²	90.4	65%	0.651	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-32.1	165.1	-59.4	172.6	0	0	0	109.4	D186 M187 L188	I184-D186 VanDerWaalsContact C-N 3.28Å; I184-D186 PolarHBondContact O-N 2.92Å; I184-M187 CarbonylContact O-C 3.57Å; I184-M187 PolarHBondContact O-N 2.54Å; I184-L188 HydrophobicContact CG2-CD1 3.71Å; I184-L188 HydrophobicContact CG2-CG 3.98Å; I184-L188 VanDerWaalsContact O-CB 3.22Å; I184-L188 WeakPolarHBondContact O-CB 3.43Å; I184-L188 WeakPolarHBondContact O-CG 3.22Å; I184-L188 PolarHBondContact O-N 3.06Å
185	A	69.4	Low	61.6	Low	61 Å²	61	88 Å²	88	50%	0.504	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-18.9	175.8	0	0	0	0	0	114.3	S183	S183-A185 PolarHBondContact O-N 3.49Å; S183-A185 PolarHBondContact OG-N 3.44Å; S183-A185 VanDerWaalsContact OG-N 3.15Å
186	D	78.7	Confident	62.4	Low	70 Å²	70	84.9 Å²	84.9	37%	0.374	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-55.8	169.5	-51.3	-36.2	0	0	0	106.7	A153 S183 I184 L188 R189	A153-D186 WeakPolarHBondContact CB-O 3.43Å; S183-D186 WeakPolarHBondContact CA-OD2 3.43Å; S183-D186 WeakPolarHBondContact CB-OD2 3.17Å; S183-D186 PolarHBondContact N-OD2 3.4Å; S183-D186 WeakPolarHBondContact O-CA 3.33Å; S183-D186 WeakPolarHBondContact O-CB 3.48Å; S183-D186 PolarHBondContact O-N 2.86Å; I184-D186 VanDerWaalsContact C-N 3.28Å; I184-D186 PolarHBondContact O-N 2.92Å; D186-L188 CarbonylContact O-C 3.53Å; D186-L188 PolarHBondContact O-N 2.85Å; D186-R189 WeakPolarHBondContact O-CB 3.5Å; D186-R189 PolarHBondContact O-N 3.27Å
187	M	78.2	Confident	63.8	Low	113 Å²	113	85.6 Å²	85.6	56%	0.557	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	9.8	167.1	-154.2	-168.6	-69	0	0	115.3	A153 L154 S183 I184	A153-M187 CarbonylContact C-O 3.58Å; A153-M187 VanDerWaalsContact C-O 3.24Å; A153-M187 VanDerWaalsContact CB-CA 3.45Å; A153-M187 WeakPolarHBondContact O-CG 3.47Å; A153-M187 VanDerWaalsContact O-O 3.04Å; L154-M187 WeakPolarHBondContact CA-O 3.25Å; L154-M187 PolarHBondContact N-O 2.94Å; S183-M187 PolarHBondContact O-N 2.96Å; I184-M187 CarbonylContact O-C 3.57Å; I184-M187 PolarHBondContact O-N 2.54Å
188	L	75.7	Confident	65.1	Low	100 Å²	100	83.3 Å²	83.3	52%	0.524	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	34.7	169.3	-66.1	178.1	0	0	0	110.7	L154 I184 D186	L154-L188 VanDerWaalsContact CB-C 3.47Å; L154-L188 HydrophobicContact CD1-CB 3.81Å; L154-L188 HydrophobicContact CD1-CD2 3.23Å; L154-L188 HydrophobicContact CD1-CG 4.05Å; L154-L188 WeakPolarHBondContact CD2-O 3.36Å; I184-L188 HydrophobicContact CG2-CD1 3.71Å; I184-L188 HydrophobicContact CG2-CG 3.98Å; I184-L188 VanDerWaalsContact O-CB 3.22Å; I184-L188 WeakPolarHBondContact O-CB 3.43Å; I184-L188 WeakPolarHBondContact O-CG 3.22Å; I184-L188 PolarHBondContact O-N 3.06Å; D186-L188 CarbonylContact O-C 3.53Å; D186-L188 PolarHBondContact O-N 2.85Å
189	R	79.5	Confident	66.9	Low	127 Å²	127	83.7 Å²	83.7	48%	0.479	50%	0.497	S	S	.	.	S	Bend	trans	-121.9	-81.6	168	-177.4	-173	-57.4	-84.7	-8.3	115.4	A153 D186 T191 A192 E193	A153-R189 HydrophobicContact CB-CB 4.43Å; D186-R189 WeakPolarHBondContact O-CB 3.5Å; D186-R189 PolarHBondContact O-N 3.27Å; R189-T191 PolarHBondContact O-N 2.87Å; R189-A192 VanDerWaalsContact O-CB 3.28Å; R189-A192 WeakPolarHBondContact O-CB 3.21Å; R189-A192 PolarHBondContact O-N 2.78Å; R189-E193 WeakPolarHBondContact CG-OE1 3.48Å
190	A	77.3	Confident	69	Low	17 Å²	17	81 Å²	81	14%	0.14	47%	0.469	C	S	.	.	H	α-helix	trans	-78.8	-17	-160	0	0	0	0	0	118.4	D152 A153 A192 E193 E194	D152-A190 HydrophobicContact CB-CB 3.77Å; A153-A190 HydrophobicContact CB-CB 4.03Å; A190-A192 PolarHBondContact O-N 2.95Å; A190-E193 HydrophobicContact CB-CB 4.28Å; A190-E193 HydrophobicContact CB-CG 4.44Å; A190-E193 WeakPolarHBondContact CB-OE2 3.48Å; A190-E193 CarbonylContact O-C 3.24Å; A190-E193 WeakPolarHBondContact O-CA 3.45Å; A190-E193 WeakPolarHBondContact O-CB 3.38Å; A190-E193 PolarHBondContact O-N 3.43Å; A190-E194 WeakPolarHBondContact O-CB 3.35Å; A190-E194 PolarHBondContact O-N 2.87Å
191	T	77.1	Confident	70.9	Confident	42 Å²	42	74.9 Å²	74.9	26%	0.258	43%	0.434	S	S	.	.	H	α-helix	trans	-46.9	-32.1	154.7	-29.4	0	0	0	0	116.2	A153 L154 T155 R189 E194 A195	A153-T191 VanDerWaalsContact CA-N 3.27Å; L154-T191 CarbonylContact O-C 3.55Å; L154-T191 WeakPolarHBondContact O-CA 3.43Å; L154-T191 WeakPolarHBondContact O-CB 3.34Å; L154-T191 WeakPolarHBondContact O-CG2 3.5Å; T155-T191 PolarHBondContact OG1-O 3.05Å; R189-T191 PolarHBondContact O-N 2.87Å; T191-E194 VanDerWaalsContact CB-OE2 3.3Å; T191-E194 WeakPolarHBondContact CB-OE2 3.11Å; T191-E194 HydrophobicContact CG2-CB 3.95Å; T191-E194 HydrophobicContact CG2-CG 4.2Å; T191-E194 WeakPolarHBondContact CG2-OE2 3.41Å; T191-E194 PolarHBondContact OG1-OE2 2.88Å; T191-A195 WeakPolarHBondContact O-CB 3.49Å; T191-A195 PolarHBondContact O-N 2.84Å
192	A	69.9	Low	73.1	Confident	12 Å²	12	73.7 Å²	73.7	10%	0.099	42%	0.418	C	S	.	.	H	α-helix	trans	-89.5	-28.8	175.4	0	0	0	0	0	110.9	L154 T155 R189 A190 E194 A195 M196	L154-A192 HydrophobicContact CB-CB 4.06Å; L154-A192 HydrophobicContact CD2-CB 3.4Å; L154-A192 HydrophobicContact CG-CB 3.84Å; T155-A192 HydrophobicContact CG2-CB 4.17Å; T155-A192 WeakPolarHBondContact OG1-CA 3.48Å; T155-A192 VanDerWaalsContact OG1-CB 3.31Å; T155-A192 WeakPolarHBondContact OG1-CB 3.34Å; T155-A192 PolarHBondContact OG1-N 2.94Å; T155-A192 VanDerWaalsContact OG1-N 3.12Å; R189-A192 VanDerWaalsContact O-CB 3.28Å; R189-A192 WeakPolarHBondContact O-CB 3.21Å; R189-A192 PolarHBondContact O-N 2.78Å; A190-A192 PolarHBondContact O-N 2.95Å; A192-E194 PolarHBondContact O-N 3.25Å; A192-A195 CarbonylContact O-C 3.19Å; A192-A195 PolarHBondContact O-N 2.86Å; A192-M196 WeakPolarHBondContact O-CB 3.43Å; A192-M196 WeakPolarHBondContact O-CG 3.28Å; A192-M196 PolarHBondContact O-N 2.86Å
193	E	74	Confident	74.7	Confident	100 Å²	100	75 Å²	75	47%	0.467	41%	0.407	S	S	.	.	H	α-helix	trans	-63.9	-32.2	164	-60.2	162.1	-172.2	0	0	109.5	R189 A190 T197	R189-E193 WeakPolarHBondContact CG-OE1 3.48Å; A190-E193 HydrophobicContact CB-CB 4.28Å; A190-E193 HydrophobicContact CB-CG 4.44Å; A190-E193 WeakPolarHBondContact CB-OE2 3.48Å; A190-E193 CarbonylContact O-C 3.24Å; A190-E193 WeakPolarHBondContact O-CA 3.45Å; A190-E193 WeakPolarHBondContact O-CB 3.38Å; A190-E193 PolarHBondContact O-N 3.43Å; E193-T197 WeakPolarHBondContact O-CB 3.47Å; E193-T197 VanDerWaalsContact O-CG2 3.3Å; E193-T197 WeakPolarHBondContact O-CG2 3.35Å; E193-T197 PolarHBondContact O-N 3.09Å; E193-T197 PolarHBondContact O-OG1 2.84Å
194	E	73.1	Confident	75	Confident	100 Å²	100	74.1 Å²	74.1	47%	0.467	40%	0.397	S	S	.	.	H	α-helix	trans	-73.2	-40.4	171.2	-172.5	174.2	-172.2	0	0	112.2	A190 T191 A192 M196 T197 Q198	A190-E194 WeakPolarHBondContact O-CB 3.35Å; A190-E194 PolarHBondContact O-N 2.87Å; T191-E194 VanDerWaalsContact CB-OE2 3.3Å; T191-E194 WeakPolarHBondContact CB-OE2 3.11Å; T191-E194 HydrophobicContact CG2-CB 3.95Å; T191-E194 HydrophobicContact CG2-CG 4.2Å; T191-E194 WeakPolarHBondContact CG2-OE2 3.41Å; T191-E194 PolarHBondContact OG1-OE2 2.88Å; A192-E194 PolarHBondContact O-N 3.25Å; E194-M196 VanDerWaalsContact C-N 3.32Å; E194-M196 PolarHBondContact O-N 3.41Å; E194-T197 VanDerWaalsContact CA-OG1 3.28Å; E194-T197 WeakPolarHBondContact CA-OG1 3.39Å; E194-T197 PolarHBondContact O-OG1 2.87Å; E194-T197 VanDerWaalsContact O-OG1 3.04Å; E194-Q198 WeakPolarHBondContact O-CG 3.35Å; E194-Q198 PolarHBondContact O-N 2.91Å; E194-Q198 PolarHBondContact O-NE2 2.71Å
195	A	71.6	Confident	75.4	Confident	33 Å²	33	75.8 Å²	75.8	27%	0.273	40%	0.402	S	S	.	.	H	α-helix	trans	-70.2	-25.1	171	0	0	0	0	0	113.5	T191 A192	T191-A195 WeakPolarHBondContact O-CB 3.49Å; T191-A195 PolarHBondContact O-N 2.84Å; A192-A195 CarbonylContact O-C 3.19Å; A192-A195 PolarHBondContact O-N 2.86Å
196	M	64.4	Low	76	Confident	63 Å²	63	79.2 Å²	79.2	31%	0.31	42%	0.417	S	S	.	.	H	α-helix	trans	-85	-35.6	175.8	-73.4	168.1	-179.6	0	0	112	A192 E194 Q198 T199 G200 F201 Y210	A192-M196 WeakPolarHBondContact O-CB 3.43Å; A192-M196 WeakPolarHBondContact O-CG 3.28Å; A192-M196 PolarHBondContact O-N 2.86Å; E194-M196 VanDerWaalsContact C-N 3.32Å; E194-M196 PolarHBondContact O-N 3.41Å; M196-Q198 PolarHBondContact O-N 2.84Å; M196-T199 CarbonylContact O-C 3.58Å; M196-T199 WeakPolarHBondContact O-CA 3.48Å; M196-T199 PolarHBondContact O-N 2.83Å; M196-T199 PolarHBondContact O-OG1 3.49Å; M196-G200 PolarHBondContact O-N 3.44Å; M196-G200 VanDerWaalsContact O-N 3.1Å; M196-F201 CarbonylContact C-O 3.11Å; M196-F201 PolarHBondContact O-N 2.67Å; M196-Y210 HydrophobicContact CE-CE1 4Å; M196-Y210 HydrophobicContact SD-CE1 3.82Å
197	T	61.1	Low	76.2	Confident	89 Å²	89	78.8 Å²	78.8	55%	0.546	42%	0.419	S	S	.	.	H	α-helix	trans	-64.7	-28.6	170.2	44.9	0	0	0	0	111.9	E193 E194 T199 G200	E193-T197 WeakPolarHBondContact O-CB 3.47Å; E193-T197 VanDerWaalsContact O-CG2 3.3Å; E193-T197 WeakPolarHBondContact O-CG2 3.35Å; E193-T197 PolarHBondContact O-N 3.09Å; E193-T197 PolarHBondContact O-OG1 2.84Å; E194-T197 VanDerWaalsContact CA-OG1 3.28Å; E194-T197 WeakPolarHBondContact CA-OG1 3.39Å; E194-T197 PolarHBondContact O-OG1 2.87Å; E194-T197 VanDerWaalsContact O-OG1 3.04Å; T197-T199 PolarHBondContact O-N 2.86Å; T197-G200 PolarHBondContact O-N 3.39Å
198	Q	63.8	Low	76.5	Confident	155 Å²	155	75 Å²	75	72%	0.724	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21	167.2	-74	172.4	55.1	0	0	114.2	E194 M196	E194-Q198 WeakPolarHBondContact O-CG 3.35Å; E194-Q198 PolarHBondContact O-N 2.91Å; E194-Q198 PolarHBondContact O-NE2 2.71Å; M196-Q198 PolarHBondContact O-N 2.84Å
199	T	68.9	Low	77.1	Confident	87 Å²	87	71.4 Å²	71.4	53%	0.534	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-1.3	175.7	63.6	0	0	0	0	113.9	M196 T197 F201	M196-T199 CarbonylContact O-C 3.58Å; M196-T199 WeakPolarHBondContact O-CA 3.48Å; M196-T199 PolarHBondContact O-N 2.83Å; M196-T199 PolarHBondContact O-OG1 3.49Å; T197-T199 PolarHBondContact O-N 2.86Å; T199-F201 VanDerWaalsContact C-N 3.29Å; T199-F201 VanDerWaalsContact O-CD2 3.29Å; T199-F201 WeakPolarHBondContact O-CD2 3.42Å; T199-F201 PolarHBondContact O-N 3.32Å
200	G	75.4	Confident	77.6	Confident	25 Å²	25	67.9 Å²	67.9	26%	0.258	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-6.3	177.7	0	0	0	0	0	115.6	M196 T197 H213	M196-G200 PolarHBondContact O-N 3.44Å; M196-G200 VanDerWaalsContact O-N 3.1Å; T197-G200 PolarHBondContact O-N 3.39Å; G200-H213 PolarHBondContact O-N 3.01Å
201	F	81.7	Confident	78.3	Confident	44 Å²	44	70.4 Å²	70.4	19%	0.193	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.3	179.1	-67.9	-90.9	0	0	0	111.2	M196 T199 Y210 D212 Y219 Y226	M196-F201 CarbonylContact C-O 3.11Å; M196-F201 PolarHBondContact O-N 2.67Å; T199-F201 VanDerWaalsContact C-N 3.29Å; T199-F201 VanDerWaalsContact O-CD2 3.29Å; T199-F201 WeakPolarHBondContact O-CD2 3.42Å; T199-F201 PolarHBondContact O-N 3.32Å; F201-Y210 HydrophobicContact CB-CD1 4.49Å; F201-D212 HydrophobicContact CD1-CB 3.87Å; F201-D212 HydrophobicContact CE1-CB 3.72Å; F201-D212 HydrophobicContact CZ-CB 4.3Å; F201-Y219 HydrophobicContact CE1-CG 4.34Å; F201-Y226 HydrophobicContact CE1-CE1 4.26Å; F201-Y226 HydrophobicContact CZ-CE1 4.36Å
202	V	87.2	Confident	78.8	Confident	62 Å²	62	68.7 Å²	68.7	38%	0.376	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.9	175.9	175.8	0	0	0	0	109.2	D204 Y210 Y211 H213	V202-D204 PolarHBondContact O-N 2.9Å; V202-Y210 CarbonylContact O-C 3.58Å; V202-Y211 PolarHBondContact N-O 3.31Å; V202-Y211 PolarHBondContact O-N 2.94Å; V202-H213 VanDerWaalsContact CG2-CE1 3.47Å; V202-H213 WeakPolarHBondContact CG2-CE1 3.4Å
203	F	87.2	Confident	79.3	Confident	89 Å²	89	74.1 Å²	74.1	39%	0.39	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.3	178.5	-173.6	-105.3	0	0	0	111.3	E205 G208 Y210	F203-E205 HydrophobicContact CD1-CG 4.29Å; F203-E205 HydrophobicContact CE1-CG 4.21Å; F203-G208 VanDerWaalsContact CE2-C 3.49Å; F203-G208 WeakPolarHBondContact CE2-O 3.43Å; F203-Y210 HydrophobicContact CB-CD1 3.95Å; F203-Y210 HydrophobicContact CB-CE1 3.8Å; F203-Y210 AromaticContact CD2-CD1 3.99Å; F203-Y210 HydrophobicContact CD2-CD1 3.99Å; F203-Y210 AromaticContact CD2-CD2 3.91Å; F203-Y210 HydrophobicContact CD2-CD2 3.91Å; F203-Y210 AromaticContact CD2-CE1 3.73Å; F203-Y210 HydrophobicContact CD2-CE1 3.73Å; F203-Y210 AromaticContact CD2-CE2 3.64Å; F203-Y210 HydrophobicContact CD2-CE2 3.64Å; F203-Y210 HydrophobicContact CD2-CG 4.08Å; F203-Y210 AromaticContact CD2-CZ 3.55Å; F203-Y210 HydrophobicContact CE2-CD2 4.42Å; F203-Y210 HydrophobicContact CE2-CE2 4Å; F203-Y210 HydrophobicContact CG-CD1 4.47Å; F203-Y210 HydrophobicContact CG-CE1 4.16Å
204	D	85.6	Confident	79.7	Confident	40 Å²	40	74.2 Å²	74.2	21%	0.214	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	110.7	172.5	164.8	28.8	0	0	0	109.8	V202 T206 S207 G208 M209	V202-D204 PolarHBondContact O-N 2.9Å; D204-T206 VanDerWaalsContact CG-OG1 3.3Å; D204-T206 PolarHBondContact O-N 2.98Å; D204-T206 VanDerWaalsContact O-N 3.15Å; D204-T206 WeakPolarHBondContact OD1-CA 3.35Å; D204-T206 WeakPolarHBondContact OD1-CB 3.47Å; D204-T206 PolarHBondContact OD1-N 3.31Å; D204-T206 PolarHBondContact OD1-OG1 3.46Å; D204-T206 PolarHBondContact OD2-OG1 3.07Å; D204-S207 WeakPolarHBondContact OD2-CB 3.42Å; D204-S207 PolarHBondContact OD2-N 3.23Å; D204-S207 VanDerWaalsContact OD2-N 3.09Å; D204-S207 PolarHBondContact OD2-OG 2.79Å; D204-G208 WeakPolarHBondContact O-CA 3.33Å; D204-G208 PolarHBondContact O-N 3.2Å; D204-M209 PolarHBondContact N-O 2.92Å; D204-M209 PolarHBondContact O-N 2.9Å
205	E	83.9	Confident	80.2	Confident	163 Å²	163	71.9 Å²	71.9	76%	0.762	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-18.9	177.8	-64	-158.6	137.2	0	0	113.9	F203	F203-E205 HydrophobicContact CD1-CG 4.29Å; F203-E205 HydrophobicContact CE1-CG 4.21Å
206	T	81.9	Confident	80.9	Confident	132 Å²	132	71.4 Å²	71.4	81%	0.81	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-40.8	-174.7	72.7	0	0	0	0	112.9	D204	D204-T206 VanDerWaalsContact CG-OG1 3.3Å; D204-T206 PolarHBondContact O-N 2.98Å; D204-T206 VanDerWaalsContact O-N 3.15Å; D204-T206 WeakPolarHBondContact OD1-CA 3.35Å; D204-T206 WeakPolarHBondContact OD1-CB 3.47Å; D204-T206 PolarHBondContact OD1-N 3.31Å; D204-T206 PolarHBondContact OD1-OG1 3.46Å; D204-T206 PolarHBondContact OD2-OG1 3.07Å
207	S	81.8	Confident	82.1	Confident	61 Å²	61	70.2 Å²	70.2	43%	0.427	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-26.2	168.9	62.2	0	0	0	0	113.2	D204 M209	D204-S207 WeakPolarHBondContact OD2-CB 3.42Å; D204-S207 PolarHBondContact OD2-N 3.23Å; D204-S207 VanDerWaalsContact OD2-N 3.09Å; D204-S207 PolarHBondContact OD2-OG 2.79Å; S207-M209 WeakPolarHBondContact OG-CB 3.23Å; S207-M209 PolarHBondContact OG-N 3.45Å
208	G	85.9	Confident	83.6	Confident	34 Å²	34	69 Å²	69	35%	0.351	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	21.4	-172.3	0	0	0	0	0	113.8	F203 D204	F203-G208 VanDerWaalsContact CE2-C 3.49Å; F203-G208 WeakPolarHBondContact CE2-O 3.43Å; D204-G208 WeakPolarHBondContact O-CA 3.33Å; D204-G208 PolarHBondContact O-N 3.2Å
209	M	88.8	Confident	84.9	Confident	25 Å²	25	64.2 Å²	64.2	12%	0.123	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	161.6	-170.1	-54.9	-87	-72	0	0	110.8	D204 S207 Y218 D220	D204-M209 PolarHBondContact N-O 2.92Å; D204-M209 PolarHBondContact O-N 2.9Å; S207-M209 WeakPolarHBondContact OG-CB 3.23Å; S207-M209 PolarHBondContact OG-N 3.45Å; M209-Y218 HydrophobicContact CB-CD1 4Å; M209-D220 HydrophobicContact CE-CB 3.7Å; M209-D220 HydrophobicContact SD-CB 3.6Å
210	Y	89.4	Confident	85.9	Confident	52 Å²	52	61.4 Å²	61.4	20%	0.204	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	106.2	176.6	-68.9	-92.8	0	0	0	110.7	M196 F201 V202 F203 Y218 Y219	M196-Y210 HydrophobicContact CE-CE1 4Å; M196-Y210 HydrophobicContact SD-CE1 3.82Å; F201-Y210 HydrophobicContact CB-CD1 4.49Å; V202-Y210 CarbonylContact O-C 3.58Å; F203-Y210 HydrophobicContact CB-CD1 3.95Å; F203-Y210 HydrophobicContact CB-CE1 3.8Å; F203-Y210 AromaticContact CD2-CD1 3.99Å; F203-Y210 HydrophobicContact CD2-CD1 3.99Å; F203-Y210 AromaticContact CD2-CD2 3.91Å; F203-Y210 HydrophobicContact CD2-CD2 3.91Å; F203-Y210 AromaticContact CD2-CE1 3.73Å; F203-Y210 HydrophobicContact CD2-CE1 3.73Å; F203-Y210 AromaticContact CD2-CE2 3.64Å; F203-Y210 HydrophobicContact CD2-CE2 3.64Å; F203-Y210 HydrophobicContact CD2-CG 4.08Å; F203-Y210 AromaticContact CD2-CZ 3.55Å; F203-Y210 HydrophobicContact CE2-CD2 4.42Å; F203-Y210 HydrophobicContact CE2-CE2 4Å; F203-Y210 HydrophobicContact CG-CD1 4.47Å; F203-Y210 HydrophobicContact CG-CE1 4.16Å; Y210-Y218 CarbonylContact O-C 3.57Å; Y210-Y219 PolarHBondContact N-O 3.26Å; Y210-Y219 PolarHBondContact O-N 2.89Å
211	Y	90.9	Very high	86.4	Confident	71 Å²	71	63 Å²	63	28%	0.278	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	120.7	176.8	-177.7	-109.5	0	0	0	111.5	V202 H213 G216 Y218	V202-Y211 PolarHBondContact N-O 3.31Å; V202-Y211 PolarHBondContact O-N 2.94Å; Y211-H213 AromaticContact CD1-CE1 3.58Å; Y211-H213 AromaticContact CD1-ND1 3.71Å; Y211-H213 AromaticContact CD1-NE2 3.92Å; Y211-H213 AromaticContact CE1-CD2 3.89Å; Y211-H213 AromaticContact CE1-CE1 4Å; Y211-H213 AromaticContact CE1-CG 3.98Å; Y211-H213 AromaticContact CE1-NE2 3.91Å; Y211-G216 WeakPolarHBondContact CE2-O 3.34Å; Y211-Y218 HydrophobicContact CD2-CD1 4.02Å; Y211-Y218 AromaticContact CD2-CD2 3.78Å; Y211-Y218 HydrophobicContact CD2-CD2 3.78Å; Y211-Y218 AromaticContact CD2-CE1 3.84Å; Y211-Y218 HydrophobicContact CD2-CE1 3.84Å; Y211-Y218 AromaticContact CD2-CE2 3.57Å; Y211-Y218 HydrophobicContact CD2-CE2 3.57Å; Y211-Y218 HydrophobicContact CD2-CG 4.01Å; Y211-Y218 AromaticContact CD2-CZ 3.61Å; Y211-Y218 HydrophobicContact CE2-CD2 4.3Å; Y211-Y218 AromaticContact CE2-CE2 3.92Å; Y211-Y218 HydrophobicContact CE2-CE2 3.92Å; Y211-Y218 HydrophobicContact CG-CD1 4.44Å; Y211-Y218 HydrophobicContact CG-CE1 4.16Å
212	D	88.8	Confident	86.7	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.027	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	114	175	176.6	4.8	0	0	0	110.4	F201 S214 T215 G216 F217	F201-D212 HydrophobicContact CD1-CB 3.87Å; F201-D212 HydrophobicContact CE1-CB 3.72Å; F201-D212 HydrophobicContact CZ-CB 4.3Å; D212-S214 PolarHBondContact O-N 3.44Å; D212-S214 WeakPolarHBondContact OD1-CA 3.46Å; D212-S214 WeakPolarHBondContact OD1-CB 3.47Å; D212-S214 PolarHBondContact OD1-N 2.92Å; D212-S214 PolarHBondContact OD1-OG 2.92Å; D212-S214 PolarHBondContact OD2-OG 3.43Å; D212-T215 VanDerWaalsContact CG-OG1 3.23Å; D212-T215 PolarHBondContact OD1-N 3.42Å; D212-T215 WeakPolarHBondContact OD2-CB 3.44Å; D212-T215 WeakPolarHBondContact OD2-CG2 3.22Å; D212-T215 PolarHBondContact OD2-OG1 2.88Å; D212-G216 WeakPolarHBondContact O-CA 3.32Å; D212-G216 PolarHBondContact O-N 2.9Å; D212-F217 PolarHBondContact N-O 2.85Å
213	H	80	Confident	86.6	Confident	126 Å²	126	66.7 Å²	66.7	58%	0.583	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.4	179.3	-72.5	76.4	0	0	0	113.7	G200 V202 Y211	G200-H213 PolarHBondContact O-N 3.01Å; V202-H213 VanDerWaalsContact CG2-CE1 3.47Å; V202-H213 WeakPolarHBondContact CG2-CE1 3.4Å; Y211-H213 AromaticContact CD1-CE1 3.58Å; Y211-H213 AromaticContact CD1-ND1 3.71Å; Y211-H213 AromaticContact CD1-NE2 3.92Å; Y211-H213 AromaticContact CE1-CD2 3.89Å; Y211-H213 AromaticContact CE1-CE1 4Å; Y211-H213 AromaticContact CE1-CG 3.98Å; Y211-H213 AromaticContact CE1-NE2 3.91Å
214	S	82.1	Confident	86.7	Confident	103 Å²	103	68.7 Å²	68.7	72%	0.72	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-30.5	-178.9	75.8	0	0	0	0	113.4	D212	D212-S214 PolarHBondContact O-N 3.44Å; D212-S214 WeakPolarHBondContact OD1-CA 3.46Å; D212-S214 WeakPolarHBondContact OD1-CB 3.47Å; D212-S214 PolarHBondContact OD1-N 2.92Å; D212-S214 PolarHBondContact OD1-OG 2.92Å; D212-S214 PolarHBondContact OD2-OG 3.43Å
215	T	83.4	Confident	87	Confident	51 Å²	51	67.7 Å²	67.7	31%	0.313	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-18.7	177.9	64.2	0	0	0	0	114.1	D212 F217 Y244	D212-T215 VanDerWaalsContact CG-OG1 3.23Å; D212-T215 PolarHBondContact OD1-N 3.42Å; D212-T215 WeakPolarHBondContact OD2-CB 3.44Å; D212-T215 WeakPolarHBondContact OD2-CG2 3.22Å; D212-T215 PolarHBondContact OD2-OG1 2.88Å; T215-F217 VanDerWaalsContact C-N 3.3Å; T215-F217 WeakPolarHBondContact OG1-CD2 3.33Å; T215-Y244 HydrophobicContact CG2-CE2 4.48Å
216	G	85.8	Confident	87.4	Confident	23 Å²	23	61.4 Å²	61.4	24%	0.237	35%	0.346	C	S	.	.			trans	79.1	8.7	-177.6	0	0	0	0	0	114.5	Y211 D212	Y211-G216 WeakPolarHBondContact CE2-O 3.34Å; D212-G216 WeakPolarHBondContact O-CA 3.32Å; D212-G216 PolarHBondContact O-N 2.9Å
217	F	90	Very high	87.9	Confident	37 Å²	37	57.3 Å²	57.3	16%	0.162	32%	0.316	C	S	.	.			trans	-97.5	151.2	179.7	-56.6	-48	0	0	0	112.7	D212 T215 Y226 Y227 D228 Y244	D212-F217 PolarHBondContact N-O 2.85Å; T215-F217 VanDerWaalsContact C-N 3.3Å; T215-F217 WeakPolarHBondContact OG1-CD2 3.33Å; F217-Y226 HydrophobicContact CB-CD1 4.2Å; F217-Y227 WeakPolarHBondContact CA-O 3.46Å; F217-D228 HydrophobicContact CD1-CB 3.79Å; F217-D228 HydrophobicContact CE1-CB 3.78Å; F217-Y244 HydrophobicContact CD2-CE1 4.2Å; F217-Y244 HydrophobicContact CD2-CE2 4.23Å; F217-Y244 HydrophobicContact CE2-CD1 4.43Å; F217-Y244 AromaticContact CE2-CD2 3.84Å; F217-Y244 HydrophobicContact CE2-CD2 3.84Å; F217-Y244 HydrophobicContact CE2-CE1 4.39Å; F217-Y244 AromaticContact CE2-CE2 3.8Å; F217-Y244 HydrophobicContact CE2-CE2 3.8Å; F217-Y244 HydrophobicContact CE2-CG 4.17Å
218	Y	92.2	Very high	88.4	Confident	63 Å²	63	55.2 Å²	55.2	25%	0.247	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111.9	169.1	-71.6	-96.3	0	0	0	110.1	M209 Y210 Y211 Y227 A229	M209-Y218 HydrophobicContact CB-CD1 4Å; Y210-Y218 CarbonylContact O-C 3.57Å; Y211-Y218 HydrophobicContact CD2-CD1 4.02Å; Y211-Y218 AromaticContact CD2-CD2 3.78Å; Y211-Y218 HydrophobicContact CD2-CD2 3.78Å; Y211-Y218 AromaticContact CD2-CE1 3.84Å; Y211-Y218 HydrophobicContact CD2-CE1 3.84Å; Y211-Y218 AromaticContact CD2-CE2 3.57Å; Y211-Y218 HydrophobicContact CD2-CE2 3.57Å; Y211-Y218 HydrophobicContact CD2-CG 4.01Å; Y211-Y218 AromaticContact CD2-CZ 3.61Å; Y211-Y218 HydrophobicContact CE2-CD2 4.3Å; Y211-Y218 AromaticContact CE2-CE2 3.92Å; Y211-Y218 HydrophobicContact CE2-CE2 3.92Å; Y211-Y218 HydrophobicContact CG-CD1 4.44Å; Y211-Y218 HydrophobicContact CG-CE1 4.16Å; Y218-Y227 HydrophobicContact CD2-CD1 4.36Å; Y218-Y227 PolarHBondContact N-O 2.79Å; Y218-Y227 PolarHBondContact O-N 3.33Å; Y218-A229 HydrophobicContact CD2-CB 4.31Å; Y218-A229 HydrophobicContact CE2-CB 4.01Å
219	Y	91.9	Very high	88.3	Confident	56 Å²	56	55.8 Å²	55.8	22%	0.22	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.2	174.6	177.3	-108.3	0	0	0	111.8	F201 Y210 Q224 L225 Y226	F201-Y219 HydrophobicContact CE1-CG 4.34Å; Y210-Y219 PolarHBondContact N-O 3.26Å; Y210-Y219 PolarHBondContact O-N 2.89Å; Y219-Q224 HydrophobicContact CE2-CB 4.37Å; Y219-L225 WeakPolarHBondContact CA-O 3.4Å; Y219-Y226 HydrophobicContact CD2-CD1 4.14Å; Y219-Y226 AromaticContact CD2-CD2 3.86Å; Y219-Y226 HydrophobicContact CD2-CD2 3.86Å; Y219-Y226 AromaticContact CD2-CE1 3.86Å; Y219-Y226 HydrophobicContact CD2-CE1 3.86Å; Y219-Y226 AromaticContact CD2-CE2 3.53Å; Y219-Y226 HydrophobicContact CD2-CE2 3.53Å; Y219-Y226 HydrophobicContact CD2-CG 4.15Å; Y219-Y226 AromaticContact CD2-CZ 3.54Å; Y219-Y226 HydrophobicContact CE2-CD2 4.35Å; Y219-Y226 AromaticContact CE2-CE2 3.77Å; Y219-Y226 HydrophobicContact CE2-CE2 3.77Å; Y219-Y226 AromaticContact CE2-CZ 4Å; Y219-Y226 HydrophobicContact CG-CE1 4.29Å
220	D	90.8	Very high	88.1	Confident	27 Å²	27	61.7 Å²	61.7	14%	0.144	33%	0.333	C	S	.	.			trans	-89.7	116.4	171.3	-177.8	11.1	0	0	0	111.1	M209 V222 S223 Q224 L225	M209-D220 HydrophobicContact CE-CB 3.7Å; M209-D220 HydrophobicContact SD-CB 3.6Å; D220-V222 PolarHBondContact O-N 2.84Å; D220-V222 WeakPolarHBondContact OD1-CB 3.36Å; D220-V222 PolarHBondContact OD1-N 2.87Å; D220-S223 WeakPolarHBondContact CB-OG 3.43Å; D220-S223 VanDerWaalsContact CG-N 3.34Å; D220-S223 WeakPolarHBondContact OD2-CB 3.48Å; D220-S223 PolarHBondContact OD2-N 3.13Å; D220-S223 PolarHBondContact OD2-OG 3.26Å; D220-Q224 WeakPolarHBondContact O-CA 3.48Å; D220-Q224 PolarHBondContact O-N 3.47Å; D220-L225 PolarHBondContact N-O 3.49Å
221	S	84.8	Confident	87.9	Confident	60 Å²	60	61.6 Å²	61.6	42%	0.42	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.3	172.8	65.4	0	0	0	0	114.6
222	V	87.6	Confident	87.8	Confident	125 Å²	125	58.2 Å²	58.2	76%	0.758	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-49.9	-176.8	-174.4	0	0	0	0	111.9	D220	D220-V222 PolarHBondContact O-N 2.84Å; D220-V222 WeakPolarHBondContact OD1-CB 3.36Å; D220-V222 PolarHBondContact OD1-N 2.87Å
223	S	86.4	Confident	87.9	Confident	57 Å²	57	59 Å²	59	40%	0.399	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-12.2	176.6	64.4	0	0	0	0	114.6	D220 L225	D220-S223 WeakPolarHBondContact CB-OG 3.43Å; D220-S223 VanDerWaalsContact CG-N 3.34Å; D220-S223 WeakPolarHBondContact OD2-CB 3.48Å; D220-S223 PolarHBondContact OD2-N 3.13Å; D220-S223 PolarHBondContact OD2-OG 3.26Å; S223-L225 PolarHBondContact O-N 2.66Å
224	Q	88.3	Confident	88.6	Confident	132 Å²	132	55.7 Å²	55.7	62%	0.617	31%	0.312	S	S	*	.			trans	61.6	23.4	-176.3	-52.4	-178.4	8.8	0	0	113.9	Y219 D220	Y219-Q224 HydrophobicContact CE2-CB 4.37Å; D220-Q224 WeakPolarHBondContact O-CA 3.48Å; D220-Q224 PolarHBondContact O-N 3.47Å
225	L	92.3	Very high	89.1	Confident	19 Å²	19	53 Å²	53	10%	0.099	29%	0.286	C	S	.	.			trans	-99.2	151.7	177.7	-60.6	176.9	0	0	0	111.5	Y219 D220 S223 Y234 Y235 H247	Y219-L225 WeakPolarHBondContact CA-O 3.4Å; D220-L225 PolarHBondContact N-O 3.49Å; S223-L225 PolarHBondContact O-N 2.66Å; L225-Y234 HydrophobicContact CB-CD1 4.03Å; L225-Y234 HydrophobicContact CD1-CD1 4.15Å; L225-Y235 CarbonylContact C-O 3.6Å; L225-Y235 WeakPolarHBondContact CA-O 3.33Å; L225-H247 HydrophobicContact CD2-CB 4.16Å
226	Y	91.7	Very high	89.6	Confident	30 Å²	30	55.3 Å²	55.3	12%	0.118	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.8	173	-67.5	-103.6	0	0	0	108.9	F201 F217 Y219 Y234 Y235 Y237 Y244	F201-Y226 HydrophobicContact CE1-CE1 4.26Å; F201-Y226 HydrophobicContact CZ-CE1 4.36Å; F217-Y226 HydrophobicContact CB-CD1 4.2Å; Y219-Y226 HydrophobicContact CD2-CD1 4.14Å; Y219-Y226 AromaticContact CD2-CD2 3.86Å; Y219-Y226 HydrophobicContact CD2-CD2 3.86Å; Y219-Y226 AromaticContact CD2-CE1 3.86Å; Y219-Y226 HydrophobicContact CD2-CE1 3.86Å; Y219-Y226 AromaticContact CD2-CE2 3.53Å; Y219-Y226 HydrophobicContact CD2-CE2 3.53Å; Y219-Y226 HydrophobicContact CD2-CG 4.15Å; Y219-Y226 AromaticContact CD2-CZ 3.54Å; Y219-Y226 HydrophobicContact CE2-CD2 4.35Å; Y219-Y226 AromaticContact CE2-CE2 3.77Å; Y219-Y226 HydrophobicContact CE2-CE2 3.77Å; Y219-Y226 AromaticContact CE2-CZ 4Å; Y219-Y226 HydrophobicContact CG-CE1 4.29Å; Y226-Y234 CarbonylContact O-C 3.54Å; Y226-Y234 WeakPolarHBondContact O-CA 3.33Å; Y226-Y235 PolarHBondContact N-O 2.98Å; Y226-Y235 PolarHBondContact O-N 2.89Å; Y226-Y237 VanDerWaalsContact CE2-CB 3.47Å; Y226-Y237 HydrophobicContact CE2-CG 4.48Å; Y226-Y244 AromaticContact CD1-CE1 3.61Å; Y226-Y244 HydrophobicContact CD1-CE1 3.61Å; Y226-Y244 HydrophobicContact CD2-CD1 4.2Å; Y226-Y244 AromaticContact CD2-CE1 3.79Å; Y226-Y244 HydrophobicContact CD2-CE1 3.79Å; Y226-Y244 AromaticContact CE1-CE1 3.89Å; Y226-Y244 HydrophobicContact CE1-CE1 3.89Å; Y226-Y244 HydrophobicContact CE2-CE1 4.09Å; Y226-Y244 HydrophobicContact CG-CD1 4.06Å; Y226-Y244 AromaticContact CG-CE1 3.55Å; Y226-Y244 HydrophobicContact CG-CE1 3.55Å
227	Y	92.9	Very high	89.7	Confident	46 Å²	46	59.2 Å²	59.2	18%	0.18	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.2	-178.1	173	-108.8	0	0	0	111.8	F217 Y218 A229 I233 Y234	F217-Y227 WeakPolarHBondContact CA-O 3.46Å; Y218-Y227 HydrophobicContact CD2-CD1 4.36Å; Y218-Y227 PolarHBondContact N-O 2.79Å; Y218-Y227 PolarHBondContact O-N 3.33Å; Y227-A229 HydrophobicContact CE1-CB 4.04Å; Y227-I233 WeakPolarHBondContact CA-O 3.36Å; Y227-Y234 HydrophobicContact CD2-CD1 4.16Å; Y227-Y234 AromaticContact CD2-CD2 3.73Å; Y227-Y234 HydrophobicContact CD2-CD2 3.73Å; Y227-Y234 AromaticContact CD2-CE1 3.87Å; Y227-Y234 HydrophobicContact CD2-CE1 3.87Å; Y227-Y234 AromaticContact CD2-CE2 3.38Å; Y227-Y234 HydrophobicContact CD2-CE2 3.38Å; Y227-Y234 HydrophobicContact CD2-CG 4.09Å; Y227-Y234 AromaticContact CD2-CZ 3.46Å; Y227-Y234 VanDerWaalsContact CD2-CZ 3.46Å; Y227-Y234 HydrophobicContact CE2-CD2 4.28Å; Y227-Y234 AromaticContact CE2-CE2 3.73Å; Y227-Y234 HydrophobicContact CE2-CE2 3.73Å; Y227-Y234 HydrophobicContact CG-CD1 4.48Å; Y227-Y234 HydrophobicContact CG-CE1 4.08Å; Y227-Y234 HydrophobicContact CG-CE2 4.35Å; Y227-Y234 AromaticContact CG-CZ 3.99Å
228	D	92	Very high	89.7	Confident	17 Å²	17	59.2 Å²	59.2	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.6	170.3	178.6	11	0	0	0	110.7	F217 N230 T231 G232 I233 Y235	F217-D228 HydrophobicContact CD1-CB 3.79Å; F217-D228 HydrophobicContact CE1-CB 3.78Å; D228-N230 PolarHBondContact O-N 3.48Å; D228-N230 WeakPolarHBondContact OD1-CB 3.27Å; D228-N230 PolarHBondContact OD1-N 2.87Å; D228-N230 PolarHBondContact OD1-ND2 3.34Å; D228-T231 WeakPolarHBondContact CB-OG1 3.48Å; D228-T231 VanDerWaalsContact CG-OG1 3.24Å; D228-T231 VanDerWaalsContact OD2-CB 3.29Å; D228-T231 WeakPolarHBondContact OD2-CB 3.49Å; D228-T231 WeakPolarHBondContact OD2-CG2 3.48Å; D228-T231 PolarHBondContact OD2-N 2.86Å; D228-T231 PolarHBondContact OD2-OG1 2.59Å; D228-G232 WeakPolarHBondContact O-CA 3.35Å; D228-G232 PolarHBondContact O-N 2.96Å; D228-I233 PolarHBondContact N-O 2.78Å; D228-Y235 HydrophobicContact CB-CE2 4.19Å
229	A	84.9	Confident	89.2	Confident	47 Å²	47	60.1 Å²	60.1	39%	0.388	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21	177.4	0	0	0	0	0	113.5	Y218 Y227	Y218-A229 HydrophobicContact CD2-CB 4.31Å; Y218-A229 HydrophobicContact CE2-CB 4.01Å; Y227-A229 HydrophobicContact CE1-CB 4.04Å
230	N	84.1	Confident	88.9	Confident	149 Å²	149	66.7 Å²	66.7	80%	0.797	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-38.2	-178.2	-54	-71.2	0	0	0	112.6	D228	D228-N230 PolarHBondContact O-N 3.48Å; D228-N230 WeakPolarHBondContact OD1-CB 3.27Å; D228-N230 PolarHBondContact OD1-N 2.87Å; D228-N230 PolarHBondContact OD1-ND2 3.34Å
231	T	85.1	Confident	88.5	Confident	50 Å²	50	68.1 Å²	68.1	31%	0.307	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-16.5	-178.9	60.6	0	0	0	0	114.3	D228 I233 R249	D228-T231 WeakPolarHBondContact CB-OG1 3.48Å; D228-T231 VanDerWaalsContact CG-OG1 3.24Å; D228-T231 VanDerWaalsContact OD2-CB 3.29Å; D228-T231 WeakPolarHBondContact OD2-CB 3.49Å; D228-T231 WeakPolarHBondContact OD2-CG2 3.48Å; D228-T231 PolarHBondContact OD2-N 2.86Å; D228-T231 PolarHBondContact OD2-OG1 2.59Å; T231-I233 WeakPolarHBondContact OG1-CB 3.3Å; T231-I233 WeakPolarHBondContact OG1-CG1 3.33Å; T231-R249 PolarHBondContact O-NE 3.39Å; T231-R249 PolarHBondContact O-NH2 3.22Å; T231-R249 VanDerWaalsContact O-NH2 3.16Å
232	G	87.8	Confident	88.6	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	21.3	-174.5	0	0	0	0	0	113.8	D228 I250	D228-G232 WeakPolarHBondContact O-CA 3.35Å; D228-G232 PolarHBondContact O-N 2.96Å; G232-I250 PolarHBondContact O-N 3.24Å
233	I	92.3	Very high	88.6	Confident	22 Å²	22	69.7 Å²	69.7	11%	0.113	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.7	-170.8	-59.4	173.1	0	0	0	110.9	Y227 D228 T231 Y235 F246 R249	Y227-I233 WeakPolarHBondContact CA-O 3.36Å; D228-I233 PolarHBondContact N-O 2.78Å; T231-I233 WeakPolarHBondContact OG1-CB 3.3Å; T231-I233 WeakPolarHBondContact OG1-CG1 3.33Å; I233-Y235 HydrophobicContact CB-CD2 4.49Å; I233-Y235 HydrophobicContact CB-CE2 3.7Å; I233-Y235 HydrophobicContact CG2-CD1 4.36Å; I233-Y235 HydrophobicContact CG2-CD2 3.98Å; I233-Y235 HydrophobicContact CG2-CE1 3.88Å; I233-Y235 HydrophobicContact CG2-CE2 3.44Å; I233-Y235 VanDerWaalsContact CG2-CE2 3.44Å; I233-Y235 HydrophobicContact CG2-CG 4.4Å; I233-F246 HydrophobicContact CG1-CE2 4.46Å; I233-F246 HydrophobicContact CG2-CD2 3.54Å; I233-F246 HydrophobicContact CG2-CE2 3.68Å; I233-R249 HydrophobicContact CG1-CB 4.09Å; I233-R249 HydrophobicContact CG1-CG 3.72Å
234	Y	93.5	Very high	88.7	Confident	55 Å²	55	70.4 Å²	70.4	22%	0.216	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	140.1	166.4	-68.2	-100.1	0	0	0	110.3	L225 Y226 Y227 H247 S248 I250	L225-Y234 HydrophobicContact CB-CD1 4.03Å; L225-Y234 HydrophobicContact CD1-CD1 4.15Å; Y226-Y234 CarbonylContact O-C 3.54Å; Y226-Y234 WeakPolarHBondContact O-CA 3.33Å; Y227-Y234 HydrophobicContact CD2-CD1 4.16Å; Y227-Y234 AromaticContact CD2-CD2 3.73Å; Y227-Y234 HydrophobicContact CD2-CD2 3.73Å; Y227-Y234 AromaticContact CD2-CE1 3.87Å; Y227-Y234 HydrophobicContact CD2-CE1 3.87Å; Y227-Y234 AromaticContact CD2-CE2 3.38Å; Y227-Y234 HydrophobicContact CD2-CE2 3.38Å; Y227-Y234 HydrophobicContact CD2-CG 4.09Å; Y227-Y234 AromaticContact CD2-CZ 3.46Å; Y227-Y234 VanDerWaalsContact CD2-CZ 3.46Å; Y227-Y234 HydrophobicContact CE2-CD2 4.28Å; Y227-Y234 AromaticContact CE2-CE2 3.73Å; Y227-Y234 HydrophobicContact CE2-CE2 3.73Å; Y227-Y234 HydrophobicContact CG-CD1 4.48Å; Y227-Y234 HydrophobicContact CG-CE1 4.08Å; Y227-Y234 HydrophobicContact CG-CE2 4.35Å; Y227-Y234 AromaticContact CG-CZ 3.99Å; Y234-H247 WeakPolarHBondContact O-CA 3.27Å; Y234-H247 WeakPolarHBondContact O-CB 3.27Å; Y234-H247 PolarHBondContact O-N 2.88Å; Y234-S248 PolarHBondContact N-O 3.48Å; Y234-S248 PolarHBondContact O-N 2.87Å; Y234-I250 HydrophobicContact CE2-CD1 3.71Å; Y234-I250 HydrophobicContact CE2-CG1 4.09Å
235	Y	93.8	Very high	88.9	Confident	47 Å²	47	67.5 Å²	67.5	18%	0.184	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.6	178.2	-58.2	-93.2	0	0	0	110.4	L225 Y226 D228 I233 Q245	L225-Y235 CarbonylContact C-O 3.6Å; L225-Y235 WeakPolarHBondContact CA-O 3.33Å; Y226-Y235 PolarHBondContact N-O 2.98Å; Y226-Y235 PolarHBondContact O-N 2.89Å; D228-Y235 HydrophobicContact CB-CE2 4.19Å; I233-Y235 HydrophobicContact CB-CD2 4.49Å; I233-Y235 HydrophobicContact CB-CE2 3.7Å; I233-Y235 HydrophobicContact CG2-CD1 4.36Å; I233-Y235 HydrophobicContact CG2-CD2 3.98Å; I233-Y235 HydrophobicContact CG2-CE1 3.88Å; I233-Y235 HydrophobicContact CG2-CE2 3.44Å; I233-Y235 VanDerWaalsContact CG2-CE2 3.44Å; I233-Y235 HydrophobicContact CG2-CG 4.4Å; Y235-Q245 CarbonylContact C-O 3.6Å; Y235-Q245 WeakPolarHBondContact CA-O 3.39Å; Y235-Q245 WeakPolarHBondContact CB-O 3.48Å
236	Y	92.4	Very high	88.9	Confident	99 Å²	99	72.5 Å²	72.5	39%	0.388	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	146.3	158.9	60.8	-85.7	0	0	0	109.6	Y244 Q245 H247	Y236-Y244 WeakPolarHBondContact O-CA 3.49Å; Y236-Q245 HydrophobicContact CD1-CB 4.22Å; Y236-Q245 WeakPolarHBondContact CD1-O 3.49Å; Y236-Q245 HydrophobicContact CD2-CB 4.15Å; Y236-Q245 HydrophobicContact CE1-CB 3.72Å; Y236-Q245 HydrophobicContact CE2-CB 3.65Å; Y236-Q245 HydrophobicContact CE2-CG 4.12Å; Y236-Q245 HydrophobicContact CG-CB 4.43Å; Y236-Q245 VanDerWaalsContact CZ-CB 3.42Å; Y236-Q245 PolarHBondContact N-O 3.14Å; Y236-Q245 PolarHBondContact O-N 3.26Å; Y236-Q245 PolarHBondContact OH-OE1 2.82Å; Y236-Q245 VanDerWaalsContact OH-OE1 3.05Å; Y236-H247 HydrophobicContact CD1-CB 4.32Å
237	Y	89.6	Confident	88.8	Confident	105 Å²	105	76 Å²	76	41%	0.412	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	114.2	173.6	179.8	-100	0	0	0	109.5	Y226 A239 Y244	Y226-Y237 VanDerWaalsContact CE2-CB 3.47Å; Y226-Y237 HydrophobicContact CE2-CG 4.48Å; Y237-A239 HydrophobicContact CD1-CB 4.48Å; Y237-A239 HydrophobicContact CE1-CB 4.15Å; Y237-Y244 HydrophobicContact CD2-CD1 4.07Å; Y237-Y244 AromaticContact CD2-CE1 3.66Å; Y237-Y244 HydrophobicContact CD2-CE1 3.66Å; Y237-Y244 HydrophobicContact CD2-CE2 4.21Å; Y237-Y244 AromaticContact CD2-CZ 3.73Å; Y237-Y244 HydrophobicContact CG-CE1 4.23Å
238	D	88.5	Confident	88.7	Confident	37 Å²	37	75.8 Å²	75.8	20%	0.198	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	112.6	171.6	168.3	22.9	0	0	0	109.8	E240 S241 G242 R243 Q245	D238-E240 VanDerWaalsContact C-N 3.32Å; D238-E240 PolarHBondContact O-N 2.85Å; D238-E240 WeakPolarHBondContact OD1-CB 3.39Å; D238-E240 PolarHBondContact OD1-N 2.79Å; D238-S241 WeakPolarHBondContact OD2-CB 3.45Å; D238-S241 PolarHBondContact OD2-N 2.79Å; D238-S241 PolarHBondContact OD2-OG 2.83Å; D238-G242 WeakPolarHBondContact O-CA 3.12Å; D238-G242 PolarHBondContact O-N 2.74Å; D238-R243 PolarHBondContact N-O 2.92Å; D238-R243 PolarHBondContact O-N 2.6Å; D238-Q245 HydrophobicContact CB-CG 4.37Å; D238-Q245 VanDerWaalsContact CB-NE2 3.31Å; D238-Q245 PolarHBondContact OD2-NE2 2.87Å
239	A	83.3	Confident	88.6	Confident	82 Å²	82	82.8 Å²	82.8	68%	0.678	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.3	-179.6	0	0	0	0	0	114	Y237	Y237-A239 HydrophobicContact CD1-CB 4.48Å; Y237-A239 HydrophobicContact CE1-CB 4.15Å
240	E	85.3	Confident	88.5	Confident	194 Å²	194	84.9 Å²	84.9	91%	0.907	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-38	176.7	-62.9	-169.5	179	0	0	111.7	D238	D238-E240 VanDerWaalsContact C-N 3.32Å; D238-E240 PolarHBondContact O-N 2.85Å; D238-E240 WeakPolarHBondContact OD1-CB 3.39Å; D238-E240 PolarHBondContact OD1-N 2.79Å
241	S	82.9	Confident	87.6	Confident	57 Å²	57	86.5 Å²	86.5	40%	0.399	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-11.5	176.3	70.2	0	0	0	0	115	D238	D238-S241 WeakPolarHBondContact OD2-CB 3.45Å; D238-S241 PolarHBondContact OD2-N 2.79Å; D238-S241 PolarHBondContact OD2-OG 2.83Å
242	G	85.3	Confident	86.7	Confident	42 Å²	42	87.4 Å²	87.4	43%	0.433	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	35.2	-177.3	0	0	0	0	0	113	D238	D238-G242 WeakPolarHBondContact O-CA 3.12Å; D238-G242 PolarHBondContact O-N 2.74Å
243	R	87.7	Confident	84.9	Confident	176 Å²	176	92.9 Å²	92.9	66%	0.664	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.2	-170	-69.1	176.2	-178.6	-152.4	-2.9	113	D238	D238-R243 PolarHBondContact N-O 2.92Å; D238-R243 PolarHBondContact O-N 2.6Å
244	Y	89.9	Confident	82.3	Confident	72 Å²	72	96.6 Å²	96.6	28%	0.282	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	120.1	168	-61.8	-76.1	0	0	0	110	T215 F217 Y226 Y236 Y237	T215-Y244 HydrophobicContact CG2-CE2 4.48Å; F217-Y244 HydrophobicContact CD2-CE1 4.2Å; F217-Y244 HydrophobicContact CD2-CE2 4.23Å; F217-Y244 HydrophobicContact CE2-CD1 4.43Å; F217-Y244 AromaticContact CE2-CD2 3.84Å; F217-Y244 HydrophobicContact CE2-CD2 3.84Å; F217-Y244 HydrophobicContact CE2-CE1 4.39Å; F217-Y244 AromaticContact CE2-CE2 3.8Å; F217-Y244 HydrophobicContact CE2-CE2 3.8Å; F217-Y244 HydrophobicContact CE2-CG 4.17Å; Y226-Y244 AromaticContact CD1-CE1 3.61Å; Y226-Y244 HydrophobicContact CD1-CE1 3.61Å; Y226-Y244 HydrophobicContact CD2-CD1 4.2Å; Y226-Y244 AromaticContact CD2-CE1 3.79Å; Y226-Y244 HydrophobicContact CD2-CE1 3.79Å; Y226-Y244 AromaticContact CE1-CE1 3.89Å; Y226-Y244 HydrophobicContact CE1-CE1 3.89Å; Y226-Y244 HydrophobicContact CE2-CE1 4.09Å; Y226-Y244 HydrophobicContact CG-CD1 4.06Å; Y226-Y244 AromaticContact CG-CE1 3.55Å; Y226-Y244 HydrophobicContact CG-CE1 3.55Å; Y236-Y244 WeakPolarHBondContact O-CA 3.49Å; Y237-Y244 HydrophobicContact CD2-CD1 4.07Å; Y237-Y244 AromaticContact CD2-CE1 3.66Å; Y237-Y244 HydrophobicContact CD2-CE1 3.66Å; Y237-Y244 HydrophobicContact CD2-CE2 4.21Å; Y237-Y244 AromaticContact CD2-CZ 3.73Å; Y237-Y244 HydrophobicContact CG-CE1 4.23Å
245	Q	90.6	Very high	79.7	Confident	71 Å²	71	98.1 Å²	98.1	33%	0.332	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.3	177.3	-61.1	-166.3	42.2	0	0	109.9	Y235 Y236 D238 H247	Y235-Q245 CarbonylContact C-O 3.6Å; Y235-Q245 WeakPolarHBondContact CA-O 3.39Å; Y235-Q245 WeakPolarHBondContact CB-O 3.48Å; Y236-Q245 HydrophobicContact CD1-CB 4.22Å; Y236-Q245 WeakPolarHBondContact CD1-O 3.49Å; Y236-Q245 HydrophobicContact CD2-CB 4.15Å; Y236-Q245 HydrophobicContact CE1-CB 3.72Å; Y236-Q245 HydrophobicContact CE2-CB 3.65Å; Y236-Q245 HydrophobicContact CE2-CG 4.12Å; Y236-Q245 HydrophobicContact CG-CB 4.43Å; Y236-Q245 VanDerWaalsContact CZ-CB 3.42Å; Y236-Q245 PolarHBondContact N-O 3.14Å; Y236-Q245 PolarHBondContact O-N 3.26Å; Y236-Q245 PolarHBondContact OH-OE1 2.82Å; Y236-Q245 VanDerWaalsContact OH-OE1 3.05Å; D238-Q245 HydrophobicContact CB-CG 4.37Å; D238-Q245 VanDerWaalsContact CB-NE2 3.31Å; D238-Q245 PolarHBondContact OD2-NE2 2.87Å; Q245-H247 PolarHBondContact O-N 3.32Å
246	F	93.9	Very high	76.9	Confident	124 Å²	124	105.1 Å²	105.1	54%	0.544	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-61.7	130.9	-174.7	176.6	-87.1	0	0	0	111.7	I233 R249	I233-F246 HydrophobicContact CG1-CE2 4.46Å; I233-F246 HydrophobicContact CG2-CD2 3.54Å; I233-F246 HydrophobicContact CG2-CE2 3.68Å; F246-R249 HydrophobicContact CE2-CB 4.11Å; F246-R249 HydrophobicContact CZ-CB 4.16Å
247	H	89.3	Confident	73.9	Confident	103 Å²	103	106.4 Å²	106.4	48%	0.477	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.7	-58.1	172.8	-175.4	-84.4	0	0	0	111.5	L225 Y234 Y236 Q245	L225-H247 HydrophobicContact CD2-CB 4.16Å; Y234-H247 WeakPolarHBondContact O-CA 3.27Å; Y234-H247 WeakPolarHBondContact O-CB 3.27Å; Y234-H247 PolarHBondContact O-N 2.88Å; Y236-H247 HydrophobicContact CD1-CB 4.32Å; Q245-H247 PolarHBondContact O-N 3.32Å
248	S	91	Very high	70.9	Confident	43 Å²	43	105.9 Å²	105.9	30%	0.301	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-164.4	152.6	-173.9	49	0	0	0	0	111.9	Y234	Y234-S248 PolarHBondContact N-O 3.48Å; Y234-S248 PolarHBondContact O-N 2.87Å
249	R	88.6	Confident	68.1	Low	163 Å²	163	108.8 Å²	108.8	62%	0.615	62%	0.621	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.4	141.3	175.5	-172.5	171.2	-167.4	-152.6	-0.1	111.3	T231 I233 F246	T231-R249 PolarHBondContact O-NE 3.39Å; T231-R249 PolarHBondContact O-NH2 3.22Å; T231-R249 VanDerWaalsContact O-NH2 3.16Å; I233-R249 HydrophobicContact CG1-CB 4.09Å; I233-R249 HydrophobicContact CG1-CG 3.72Å; F246-R249 HydrophobicContact CE2-CB 4.11Å; F246-R249 HydrophobicContact CZ-CB 4.16Å
250	I	84.6	Confident	65.4	Low	91 Å²	91	111.5 Å²	111.5	47%	0.467	62%	0.624	S	S	.	*			trans	-102.7	137.6	165.6	-58.3	-177.1	0	0	0	108	G232 Y234 V252	G232-I250 PolarHBondContact O-N 3.24Å; Y234-I250 HydrophobicContact CE2-CD1 3.71Å; Y234-I250 HydrophobicContact CE2-CG1 4.09Å; I250-V252 PolarHBondContact O-N 3.01Å
251	E	64.8	Low	62.6	Low	183 Å²	183	110 Å²	110	86%	0.855	62%	0.617	S	S	*	*			trans	-72.9	91.7	169.9	-66.7	-170.8	155.7	0	0	109.7	P253	E251-P253 WeakPolarHBondContact O-CD 3.36Å
252	V	65.9	Low	59.8	Low	69 Å²	69	112 Å²	112	42%	0.418	63%	0.631	S	S	.	*			trans	-72.4	119.9	171.4	-179.8	0	0	0	0	108.2	I250 A254	I250-V252 PolarHBondContact O-N 3.01Å; V252-A254 PolarHBondContact O-N 3Å
253	P	50.8	Low	57.1	Low	115 Å²	115	118.3 Å²	118.3	75%	0.747	65%	0.649	S	S	*	*			trans	-59.2	130.5	172.5	-21.9	34	0	0	0	109.5	E251 A255	E251-P253 WeakPolarHBondContact O-CD 3.36Å; P253-A255 PolarHBondContact O-N 3.43Å
254	A	37.1	Very low	54.1	Low	100 Å²	100	118 Å²	118	83%	0.826	66%	0.655	S	S	*	*			trans	-62	94.8	-166.8	0	0	0	0	0	113.3	V252	V252-A254 PolarHBondContact O-N 3Å
255	A	38.5	Very low	51	Low	88 Å²	88	119.2 Å²	119.2	73%	0.727	67%	0.67	S	S	*	*			trans	-65.6	131.3	165.7	0	0	0	0	0	109	P253 S257	P253-A255 PolarHBondContact O-N 3.43Å; A255-S257 PolarHBondContact O-N 2.93Å
256	Q	35.8	Very low	47.9	Very low	194 Å²	194	124.2 Å²	124.2	91%	0.907	69%	0.693	S	S	*	*			trans	-73.7	112.2	-172.1	-66.4	172.6	-7.3	0	0	110.7	A258	Q256-A258 PolarHBondContact O-N 3.03Å
257	S	28.1	Very low	44.8	Very low	126 Å²	126	124.6 Å²	124.6	88%	0.881	71%	0.706	S	S	*	*			trans	-85.8	88.2	176.3	45.3	0	0	0	0	111.8	A255	A255-S257 PolarHBondContact O-N 2.93Å
258	A	26.4	Very low	41.9	Very low	94 Å²	94	125.7 Å²	125.7	78%	0.777	72%	0.722	S	S	*	*			trans	-137.2	104.6	160.8	0	0	0	0	0	108.4	Q256	Q256-A258 PolarHBondContact O-N 3.03Å
259	A	30.8	Very low	38.8	Very low	98 Å²	98	128.2 Å²	128.2	81%	0.81	73%	0.732	S	S	*	*			trans	-77.7	124.7	176.4	0	0	0	0	0	110
260	D	26.7	Very low	36.1	Very low	139 Å²	139	129.5 Å²	129.5	74%	0.743	74%	0.742	S	S	*	*				-166.8	147	105	-113.6	-37.4	0	0	0	114.6
261	H	26.9	Very low	33.4	Very low	162 Å²	162	131.6 Å²	131.6	75%	0.75	75%	0.748	S	S	*	*			trans	48.5	83.7	152.7	-76.5	70.5	0	0	0	122
262	S	23.4	Very low	31.4	Very low	99 Å²	99	135.4 Å²	135.4	69%	0.692	75%	0.754	S	S	*	*				76.4	149.9	117.8	74.2	0	0	0	0	123.5
263	Q	27.8	Very low	29.7	Very low	174 Å²	174	143.4 Å²	143.4	81%	0.813	78%	0.777	S	S	*	*			trans	74.1	105.1	168.5	-59.2	-177.1	2.4	0	0	116.1
264	E	24.6	Very low	28.7	Very low	171 Å²	171	147.8 Å²	147.8	80%	0.799	78%	0.784	S	S	*	*				77.6	136.5	77.6	-74.4	-151.4	145.4	0	0	113.9
265	T	25.3	Very low	28.1	Very low	97 Å²	97	153 Å²	153	60%	0.595	79%	0.788	S	S	*	*			cis	-156.5	158.5	2	9.6	0	0	0	0	114.3
266	H	26.5	Very low	28.1	Very low	175 Å²	175	154.7 Å²	154.7	81%	0.81	79%	0.793	S	S	*	*			trans	56.5	131.1	147.2	-73.1	-54.1	0	0	0	125.7
267	V	28.3	Very low	27.8	Very low	133 Å²	133	155.6 Å²	155.6	81%	0.806	79%	0.793	S	S	*	*			trans	-116.4	143.9	144.4	176	0	0	0	0	107.4
268	P	29.1	Very low	27.6	Very low	126 Å²	126	154.2 Å²	154.2	82%	0.818	79%	0.79	S	S	*	*			trans	-82.7	151.2	-164.7	30.1	-36.3	0	0	0	117.3
269	D	25.3	Very low	28	Very low	96 Å²	96	155.4 Å²	155.4	51%	0.513	79%	0.787	S	S	.	*			trans	-93.7	157.6	-176.6	145.5	71.3	0	0	0	114.7	K271	D269-K271 PolarHBondContact OD1-N 3.03Å; D269-K271 WeakPolarHBondContact OD2-CG 3.44Å; D269-K271 IonicContact OD2-NZ 2.89Å; D269-K271 PolarHBondContact OD2-NZ 3.08Å
270	K	32.5	Very low	28.1	Very low	190 Å²	190	160 Å²	160	83%	0.826	79%	0.789	S	S	*	*			trans	-159.6	89.6	140.5	-100.1	137.1	-165.1	169.5	0	116.1
271	K	26.7	Very low	28.1	Very low	135 Å²	135	162.7 Å²	162.7	59%	0.587	79%	0.794	S	S	*	*				49.1	118.1	119.5	-65.3	162.7	172.9	91.6	0	120.7	D269	D269-K271 PolarHBondContact OD1-N 3.03Å; D269-K271 WeakPolarHBondContact OD2-CG 3.44Å; D269-K271 IonicContact OD2-NZ 2.89Å; D269-K271 PolarHBondContact OD2-NZ 3.08Å
272	W	22.5	Very low	27.9	Very low	263 Å²	263	159.8 Å²	159.8	100%	0.996	80%	0.798	S	S	*	*			trans	-108.5	161	141.5	-86.6	28.3	0	0	0	110.2
273	R	31.2	Very low	28	Very low	237 Å²	237	160.1 Å²	160.1	89%	0.894	80%	0.8	S	S	*	*			trans	-125.5	162.9	-178.1	-86.8	-162.3	-173.9	-104.2	8.2	114.3
274	K	28.7	Very low	28	Very low	207 Å²	207	159.7 Å²	159.7	90%	0.9	80%	0.798	S	S	*	*			trans	-87.6	160.7	-164.1	-52.5	176.9	-179.3	-178.1	0	114.5
275	F	24.9	Very low	28.2	Very low	208 Å²	208	159 Å²	159	91%	0.912	80%	0.795	S	S	*	*			trans	-93.8	151.7	161.9	-81.6	-89.1	0	0	0	111.9
276	P	38.8	Very low	28.2	Very low	125 Å²	125	161.7 Å²	161.7	81%	0.812	81%	0.805	S	S	*	*			trans	-96.8	178.6	174.4	38	-34.4	0	0	0	114.4
277	K	28.9	Very low	28.3	Very low	212 Å²	212	161.7 Å²	161.7	92%	0.922	81%	0.805	S	S	*	*			trans	-148.9	137.9	-159.7	-176.4	-179	-175.8	179.1	0	112.5
278	A	25.3	Very low	28.2	Very low	98 Å²	98	158.9 Å²	158.9	81%	0.81	80%	0.803	S	S	*	*			trans	-167.8	162.2	174.5	0	0	0	0	0	112.5
279	V	33	Very low	28.1	Very low	119 Å²	119	160.8 Å²	160.8	72%	0.721	80%	0.802	S	S	*	*			cis	-171.4	130.7	-48.1	125	0	0	0	0	110.6
280	K	32.9	Very low	28.1	Very low	193 Å²	193	165.7 Å²	165.7	84%	0.839	81%	0.814	S	S	*	*			trans	44.5	168.5	152.6	-50.3	176.4	-178.8	176	0	119.7
281	K	26.7	Very low	27.7	Very low	197 Å²	197	165.5 Å²	165.5	86%	0.857	81%	0.813	S	S	*	*			cis	-161.1	153	-11.9	-142.7	-170.2	177	-171.7	0	108.3
282	A	22.6	Very low	28.7	Very low	100 Å²	100	164.4 Å²	164.4	83%	0.826	82%	0.82	S	S	*	*			trans	-179.9	157.3	149.9	0	0	0	0	0	112.5
283	S	27.4	Very low	28.7	Very low	106 Å²	106	159.5 Å²	159.5	74%	0.741	81%	0.814	S	S	*	*			trans	-172.4	132.3	179.9	53.3	0	0	0	0	114
284	H	26.5	Very low	28.5	Very low	166 Å²	166	157.1 Å²	157.1	77%	0.769	81%	0.813	S	S	*	*			trans	-169.2	166.9	144.4	-128.6	-111.9	0	0	0	114.5
285	Q	29.4	Very low	28.4	Very low	157 Å²	157	152.2 Å²	152.2	73%	0.734	81%	0.81	S	S	*	*			trans	-24.7	158.5	169.4	-76.6	164.5	-18.9	0	0	119.1
286	D	25.3	Very low	28.4	Very low	153 Å²	153	152 Å²	152	82%	0.818	81%	0.809	S	S	*	*				-154.4	171.8	61.7	-159.4	13.5	0	0	0	116.2
287	E	27.6	Very low	28.2	Very low	174 Å²	174	151.2 Å²	151.2	81%	0.813	80%	0.804	S	S	*	*			trans	-84.2	169	-171.3	-72.5	-66.9	158.5	0	0	115.7
288	G	27.1	Very low	28.1	Very low	74 Å²	74	149 Å²	149	76%	0.763	80%	0.797	S	S	*	*			trans	-177	113.7	172.4	0	0	0	0	0	113.8
289	E	26.1	Very low	28	Very low	167 Å²	167	149.5 Å²	149.5	78%	0.78	79%	0.79	S	S	*	*			trans	-118.5	173.6	-155.2	-151.9	-174.2	-166.6	0	0	115.2
290	Y	25.3	Very low	27.6	Very low	199 Å²	199	151.4 Å²	151.4	78%	0.78	79%	0.791	S	S	*	*			trans	88.9	148.7	163.7	-89.8	-92.6	0	0	0	122.4
291	K	25.5	Very low	27.1	Very low	185 Å²	185	150 Å²	150	80%	0.804	79%	0.787	S	S	*	*			trans	-140.3	-171.9	-174.1	-88.3	-172.1	178.1	-177.7	0	106.9
292	P	46.5	Very low	27	Very low	112 Å²	112	145.6 Å²	145.6	73%	0.727	78%	0.777	S	S	*	*			cis	-122.6	-165.8	-48.9	37.3	-21.8	0	0	0	109.8
293	D	23.6	Very low	27.2	Very low	161 Å²	161	149.5 Å²	149.5	86%	0.861	78%	0.778	S	S	*	*				-160.2	164.9	128	-134.7	-27.4	0	0	0	112.8
294	E	27.3	Very low	27.2	Very low	187 Å²	187	148.7 Å²	148.7	87%	0.874	77%	0.773	S	S	*	*			trans	-109.6	141.1	177.5	-73.2	-157.6	127.6	0	0	113.7
295	A	24.9	Very low	27.4	Very low	103 Å²	103	151.8 Å²	151.8	85%	0.851	78%	0.778	S	S	*	*			trans	-159.7	138.4	152.7	0	0	0	0	0	114.3
296	K	26.2	Very low	27.3	Very low	204 Å²	204	153.4 Å²	153.4	89%	0.887	78%	0.782	S	S	*	*			trans	-124.7	167.2	153.2	-88.5	-174.4	175.7	179.6	0	105.9
297	P	35.2	Very low	27.5	Very low	108 Å²	108	153.1 Å²	153.1	70%	0.701	78%	0.78	S	S	*	*			cis	-148.4	-171	24.9	48.1	-28.8	0	0	0	117.1
298	E	25.5	Very low	27.5	Very low	165 Å²	165	152.1 Å²	152.1	77%	0.771	78%	0.775	S	S	*	*			trans	65.9	127.5	146.5	-57.5	-112	129.2	0	0	124.4
299	T	24.6	Very low	27.5	Very low	109 Å²	109	157.4 Å²	157.4	67%	0.669	77%	0.772	S	S	*	*			trans	70.3	124.7	138.8	53.4	0	0	0	0	124.7
300	E	22.9	Very low	27.5	Very low	160 Å²	160	159.8 Å²	159.8	75%	0.748	77%	0.774	S	S	*	*			trans	61.2	125.3	137.5	-55.5	-54.7	101.6	0	0	123.4
301	E	23.2	Very low	27.6	Very low	162 Å²	162	156.3 Å²	156.3	76%	0.757	78%	0.779	S	S	*	*			trans	29.8	147	134.4	-64.7	-148.4	162.1	0	0	122.6
302	T	25.3	Very low	27.5	Very low	105 Å²	105	158.6 Å²	158.6	64%	0.644	78%	0.782	S	S	*	*			cis	-160.4	166.8	15.4	-4.3	0	0	0	0	113.5
303	E	26.6	Very low	26.5	Very low	183 Å²	183	158.6 Å²	158.6	86%	0.855	79%	0.785	S	S	*	*			trans	62.2	153.6	151.6	-69.8	-151.1	141.7	0	0	119.7
304	S	27.8	Very low	27.7	Very low	89 Å²	89	156.1 Å²	156.1	62%	0.622	78%	0.777	S	S	*	*			cis	-153	153.2	21.5	53.8	0	0	0	0	113.5
305	R	29.1	Very low	27.8	Very low	231 Å²	231	153.9 Å²	153.9	87%	0.872	77%	0.771	S	S	*	*	S	Bend		-179.7	126.9	116.4	-96.7	163.3	-177.3	-160.8	-0.6	114.4
306	K	29	Very low	28.6	Very low	190 Å²	190	155 Å²	155	83%	0.826	76%	0.763	S	S	*	*			trans	79.1	72.1	157.9	-61.3	-174.5	174.7	-177.5	0	120.7
307	L	27.8	Very low	28.7	Very low	148 Å²	148	150.6 Å²	150.6	78%	0.775	76%	0.757	S	S	*	*				42.4	111.9	106.7	-59.2	177.4	0	0	0	118.4
308	H	27.8	Very low	28.7	Very low	152 Å²	152	154.2 Å²	154.2	70%	0.704	76%	0.762	S	S	*	*				86.1	143.8	84.8	-92.8	28.1	0	0	0	116.1
309	R	27.4	Very low	29.2	Very low	185 Å²	185	151 Å²	151	70%	0.698	76%	0.758	S	S	*	*			cis	-169.6	156.6	-16.1	-139.9	-174.9	-176.1	-176	3.2	111.7
310	R	26.4	Very low	29.6	Very low	218 Å²	218	155 Å²	155	82%	0.823	77%	0.766	S	S	*	*			trans	62.6	125.8	155.7	-79.5	-179.7	166.3	179.2	-4.7	122.3
311	S	26.5	Very low	30.2	Very low	126 Å²	126	157.1 Å²	157.1	88%	0.881	77%	0.767	S	S	*	*				178.9	-175.8	115.2	48.5	0	0	0	0	112
312	R	25.3	Very low	30.7	Very low	232 Å²	232	154.9 Å²	154.9	88%	0.875	76%	0.76	S	S	*	*			trans	-135.6	141.8	-173.8	-78.5	179	164.7	177.1	-5.5	112.5
313	S	24	Very low	31.2	Very low	113 Å²	113	154.4 Å²	154.4	79%	0.79	76%	0.761	S	S	*	*			trans	61.4	166.5	150.3	50.6	0	0	0	0	120.1
314	P	49.6	Very low	31.4	Very low	108 Å²	108	151.2 Å²	151.2	70%	0.701	76%	0.759	S	S	*	*			cis	-137.8	-151.6	-33.9	38.3	-17.5	0	0	0	113.5
315	D	29.9	Very low	31.6	Very low	140 Å²	140	155.5 Å²	155.5	75%	0.749	77%	0.767	S	S	*	*			trans	78.1	157.2	155.5	-90.9	35.8	0	0	0	121.7
316	L	41	Very low	31.6	Very low	127 Å²	127	153.4 Å²	153.4	67%	0.665	77%	0.766	S	S	*	*			cis	-172.9	153.7	-43.7	-119	-173.3	0	0	0	112.4
317	S	29.1	Very low	31.5	Very low	111 Å²	111	147.4 Å²	147.4	78%	0.776	76%	0.758	S	S	*	*			trans	-169	106.6	135.9	23.1	0	0	0	0	114.8
318	K	35.2	Very low	31.6	Very low	184 Å²	184	150.1 Å²	150.1	80%	0.8	76%	0.764	S	S	*	*				30.5	139.6	122.5	-62.6	167.7	-179.3	168	0	119.3
319	S	34.4	Very low	31.7	Very low	97 Å²	97	150.3 Å²	150.3	68%	0.678	77%	0.765	S	S	*	*			cis	-177.4	168.5	-7.6	57.7	0	0	0	0	107
320	K	34.2	Very low	31.7	Very low	195 Å²	195	151.1 Å²	151.1	85%	0.848	77%	0.768	S	S	*	*			cis	-167.6	178.7	40.7	-93.1	158.3	-171.8	172.3	0	106.7
321	R	35.2	Very low	31.9	Very low	203 Å²	203	146.7 Å²	146.7	77%	0.766	76%	0.761	S	S	*	*			cis	-175.4	141.1	-29.7	168.7	178.4	166	-157.1	-16	107.6
322	D	34	Very low	32	Very low	116 Å²	116	148.8 Å²	148.8	62%	0.62	75%	0.754	S	S	*	*			trans	63.3	147.4	162.9	-69.4	8.9	0	0	0	120.2
323	S	34.3	Very low	32.5	Very low	95 Å²	95	143.1 Å²	143.1	66%	0.664	75%	0.75	S	S	*	*			cis	-165.2	156.1	-13.7	53.9	0	0	0	0	114.6
324	S	32.2	Very low	33.5	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	75%	0.747	S	S	*	*			trans	70.7	163.3	154.9	79.3	0	0	0	0	120.9
325	K	31.9	Very low	32.6	Very low	179 Å²	179	142.7 Å²	142.7	78%	0.778	75%	0.747	S	S	*	*			cis	-170.9	142.1	-44.2	-173	174.1	-178.2	-177.8	0	110
326	H	28	Very low	32.7	Very low	186 Å²	186	146.9 Å²	146.9	86%	0.861	75%	0.752	S	S	*	*			trans	65.3	157.7	172.4	-85.3	14.3	0	0	0	117.1
327	G	27.6	Very low	32.3	Very low	64 Å²	64	152.8 Å²	152.8	66%	0.66	77%	0.766	S	S	*	*			cis	161.1	140.1	-13.1	0	0	0	0	0	115.8
328	K	30.3	Very low	32.5	Very low	206 Å²	206	159.4 Å²	159.4	90%	0.896	77%	0.773	S	S	*	*			trans	64.8	113	166.1	-66.3	-169.7	175.2	-172.7	0	120.5
329	E	29	Very low	32.3	Very low	155 Å²	155	161 Å²	161	72%	0.724	77%	0.774	S	S	*	*				45.3	141.9	108.4	-144.8	-168.7	-84.4	0	0	121.7
330	R	28.5	Very low	32	Very low	202 Å²	202	163.2 Å²	163.2	76%	0.762	78%	0.778	S	S	*	*			trans	100.6	99.2	155.7	-61.2	-165.9	171.2	-135.4	-11.7	120.6
331	D	28.8	Very low	31.7	Very low	125 Å²	125	161.6 Å²	161.6	67%	0.668	77%	0.771	S	S	*	*				67.4	146.3	98.1	-159.2	27	0	0	0	120.7
332	K	28.9	Very low	31.1	Very low	171 Å²	171	159 Å²	159	74%	0.743	77%	0.772	S	S	*	*			trans	72.4	114.3	167.7	-70.7	160.7	-172.6	174.8	0	121
333	S	35.9	Very low	30.6	Very low	113 Å²	113	156.6 Å²	156.6	79%	0.79	78%	0.775	S	S	*	*			trans	-56.8	161.5	144.9	-34.5	0	0	0	0	110.8
334	P	45	Very low	30.2	Very low	112 Å²	112	157.9 Å²	157.9	73%	0.727	78%	0.784	S	S	*	*				-162.1	165.7	95.7	42.8	-23.8	0	0	0	119.4
335	S	31.2	Very low	30	Very low	99 Å²	99	160 Å²	160	69%	0.692	78%	0.781	S	S	*	*			trans	87.8	159	135.9	85.4	0	0	0	0	123.9
336	R	31.6	Very low	29.9	Very low	228 Å²	228	158 Å²	158	86%	0.86	77%	0.774	S	S	*	*			trans	77.6	76.7	147.2	-77.7	169.9	175.7	-168	-1.7	121	R338	R336-R338 PolarHBondContact O-N 2.93Å
337	R	32.8	Very low	29.9	Very low	252 Å²	252	156 Å²	156	95%	0.951	77%	0.765	S	S	*	*				-5.4	115.7	123.5	-167.2	-168.8	-137.3	-172.3	8.9	115.2
338	R	33.5	Very low	30.1	Very low	249 Å²	249	159.6 Å²	159.6	94%	0.94	76%	0.764	S	S	*	*			trans	-141.7	164.9	155.5	-154	165.2	177.2	163.6	-1.3	110.2	R336	R336-R338 PolarHBondContact O-N 2.93Å
339	R	30	Very low	30.1	Very low	217 Å²	217	156.9 Å²	156.9	82%	0.819	75%	0.753	S	S	*	*			trans	-134.7	153.9	-160.9	-153.5	-171.4	-169.8	-158	4.4	109.6
340	L	30	Very low	30.1	Very low	145 Å²	145	154 Å²	154	76%	0.759	75%	0.75	S	S	*	*			trans	74.9	148.4	168.3	-55.4	173.9	0	0	0	115.2
341	K	26.3	Very low	30.2	Very low	160 Å²	160	150 Å²	150	70%	0.696	75%	0.753	S	S	*	*			cis	-174.5	144.1	-8.8	161.7	-179.4	-179.7	-177.2	0	112.3
342	N	23.8	Very low	30.5	Very low	149 Å²	149	148.2 Å²	148.2	80%	0.797	75%	0.75	S	S	*	*			trans	64.6	150.6	163.5	-68.2	7.7	0	0	0	120.1
343	G	23.1	Very low	30.7	Very low	66 Å²	66	149.9 Å²	149.9	68%	0.68	75%	0.752	S	S	*	*			trans	175.1	16	169.1	0	0	0	0	0	124.9
344	S	26.6	Very low	30.6	Very low	121 Å²	121	152.4 Å²	152.4	85%	0.846	75%	0.748	S	S	*	*			trans	63.8	173.2	177.4	77.4	0	0	0	0	115.6
345	H	27.2	Very low	29.9	Very low	161 Å²	161	154.6 Å²	154.6	75%	0.745	75%	0.747	S	S	*	*			cis	-147.5	147.8	10	-162	-110.1	0	0	0	112.3
346	H	29.9	Very low	29.9	Very low	137 Å²	137	159.4 Å²	159.4	63%	0.634	75%	0.75	S	S	*	*			trans	-1.2	146.2	139.6	-106.8	-110.1	0	0	0	118.2
347	E	28.7	Very low	29.9	Very low	145 Å²	145	156.5 Å²	156.5	68%	0.678	74%	0.743	S	S	*	*			cis	-170.9	175.7	-10	-140.9	-162.4	-125.4	0	0	109.3
348	E	30.3	Very low	29.7	Very low	138 Å²	138	154 Å²	154	65%	0.645	74%	0.739	S	S	*	*			trans	-176.7	128.2	136.3	-100.5	-88.3	103	0	0	111.6
349	K	31.3	Very low	29.6	Very low	150 Å²	150	146.7 Å²	146.7	65%	0.652	73%	0.726	S	S	*	*			trans	45.7	141.7	152.1	-65.7	-179.6	178.9	73.8	0	122
350	S	29.7	Very low	29.5	Very low	94 Å²	94	145.3 Å²	145.3	66%	0.657	73%	0.726	S	S	*	*			cis	174.9	132	-41.3	45.2	0	0	0	0	110.5
351	S	28.9	Very low	29.4	Very low	118 Å²	118	142.7 Å²	142.7	83%	0.825	72%	0.72	S	S	*	*			trans	69.8	158	159	107.2	0	0	0	0	116
352	S	35.5	Very low	29.7	Very low	88 Å²	88	141.4 Å²	141.4	62%	0.615	72%	0.716	S	S	*	*			cis	-162.2	179.4	-18	61.2	0	0	0	0	108.6
353	R	32.8	Very low	29.9	Very low	205 Å²	205	142.3 Å²	142.3	77%	0.774	71%	0.713	S	S	*	*			cis	-158.7	141.7	17.7	-128.8	147.1	-156.8	-147.4	7	108.8
354	K	34.2	Very low	30.2	Very low	166 Å²	166	146.4 Å²	146.4	72%	0.722	71%	0.714	S	S	*	*				32	146.4	122.7	-61.3	-179.2	-173.6	171.3	0	119.8
355	K	30.4	Very low	30.4	Very low	159 Å²	159	146.5 Å²	146.5	69%	0.691	70%	0.701	S	S	*	*			cis	176.9	155.8	-6.2	-114.1	178	-177.1	-174.1	0	110.1
356	R	32.2	Very low	30.4	Very low	200 Å²	200	146.8 Å²	146.8	76%	0.755	70%	0.7	S	S	*	*			trans	68.3	164.1	148.2	-67.2	162.8	58.9	151.1	-3.8	116.5
357	K	31.5	Very low	30.5	Very low	166 Å²	166	150.7 Å²	150.7	72%	0.722	71%	0.71	S	S	*	*			cis	-169.8	164.6	-19.5	-109.7	-177.9	179.1	-165.4	0	109.3
358	K	27.7	Very low	30.5	Very low	201 Å²	201	153.1 Å²	153.1	87%	0.874	72%	0.718	S	S	*	*			trans	71.9	157.8	156.5	-114.3	-176	178.5	-171.5	0	114.4
359	S	30.8	Very low	30.3	Very low	95 Å²	95	154.9 Å²	154.9	66%	0.664	72%	0.724	S	S	*	*			cis	-143.2	142.1	0.9	-47.6	0	0	0	0	108.6
360	K	29.2	Very low	30.2	Very low	187 Å²	187	156.4 Å²	156.4	81%	0.813	73%	0.73	S	S	*	*				78.7	139.7	80	-158	-156	175	-160.5	0	115
361	S	28	Very low	29.9	Very low	90 Å²	90	160.7 Å²	160.7	63%	0.629	74%	0.737	S	S	*	*			trans	72.8	146.3	165.1	14.2	0	0	0	0	116.7
362	E	32.7	Very low	29.9	Very low	134 Å²	134	166.1 Å²	166.1	63%	0.626	74%	0.739	S	S	*	*			cis	-165.6	148.5	-14.1	-126.2	-178.3	104.6	0	0	111.8
363	K	27.9	Very low	29.4	Very low	168 Å²	168	169.7 Å²	169.7	73%	0.73	74%	0.744	S	S	*	*			trans	57.9	162.9	155.7	-68.2	174.2	176.3	139.3	0	117.8
364	H	28.3	Very low	29	Very low	152 Å²	152	170 Å²	170	70%	0.704	75%	0.745	S	S	*	*			cis	-137	173.3	1.3	-154.4	-133	0	0	0	113.3
365	E	30.8	Very low	28.4	Very low	123 Å²	123	166.8 Å²	166.8	58%	0.575	74%	0.744	S	S	*	*			trans	-65.7	175.9	174.5	-67.2	-168	86.3	0	0	113.9
366	K	27.7	Very low	29.1	Very low	166 Å²	166	164.5 Å²	164.5	72%	0.722	75%	0.745	S	S	*	*			cis	-160.2	162	30.8	-144.6	134.7	-170.8	155.7	0	115.6
367	R	32.2	Very low	28.9	Very low	220 Å²	220	160.6 Å²	160.6	83%	0.83	74%	0.743	S	S	*	*			trans	-98.9	144.8	177	-56.2	150.1	75.2	-170.2	11.8	111.3
368	K	28.7	Very low	28.7	Very low	196 Å²	196	160 Å²	160	85%	0.852	74%	0.743	S	S	*	*			trans	175.3	140.4	142	-93.8	151	-176.7	-172.1	0	107.9
369	K	26.4	Very low	28.9	Very low	175 Å²	175	154 Å²	154	76%	0.761	73%	0.726	S	S	*	*			cis	109	107.1	24.4	-92.7	-168.7	172	-180	0	112.8
370	K	27.8	Very low	28.8	Very low	181 Å²	181	157.2 Å²	157.2	79%	0.787	73%	0.731	S	S	*	*			trans	74.9	133.3	135.6	-77	-167.4	173.1	-171.9	0	122.2
371	K	25	Very low	28.8	Very low	185 Å²	185	156.9 Å²	156.9	80%	0.804	73%	0.732	S	S	*	*			trans	85.2	104.9	135.9	-79.7	-177.5	169.6	-166.1	0	121.5
372	R	28.3	Very low	29	Very low	232 Å²	232	157.2 Å²	157.2	88%	0.875	74%	0.735	S	S	*	*				52.6	126.1	107.6	-117.3	-176.4	-177.7	-166.4	-0.8	121
373	K	25.8	Very low	29.1	Very low	162 Å²	162	159.5 Å²	159.5	70%	0.704	75%	0.745	S	S	*	*			trans	106.8	125.8	145	-71.5	-167.5	171.6	-171.4	0	120.4
374	R	22.7	Very low	29.1	Very low	211 Å²	211	154.6 Å²	154.6	80%	0.796	74%	0.742	S	S	*	*			trans	66.4	111.1	137	-73.7	-174.7	171.7	-177.7	-6.6	121.2
375	S	22.8	Very low	29	Very low	100 Å²	100	154.3 Å²	154.3	70%	0.699	75%	0.746	S	S	*	*				37.3	159.7	101.9	72.1	0	0	0	0	120.1
376	P	44.8	Very low	29.1	Very low	110 Å²	110	153.6 Å²	153.6	71%	0.714	76%	0.755	S	S	*	*			cis	-148.7	-159.8	21.6	43.1	-20.9	0	0	0	116.5
377	V	27.9	Very low	29.2	Very low	119 Å²	119	154.6 Å²	154.6	72%	0.721	76%	0.762	S	S	*	*			trans	73.7	135.8	153.1	162.4	0	0	0	0	117.1
378	Q	27.5	Very low	30.3	Very low	152 Å²	152	148.1 Å²	148.1	71%	0.71	75%	0.748	S	S	*	*			cis	-171.5	-177.4	-8.7	-105.8	-177.6	-105.4	0	0	107.4
379	S	31.5	Very low	30.7	Very low	76 Å²	76	146.5 Å²	146.5	53%	0.531	74%	0.744	S	S	.	*			cis	-174.7	-170.4	-48.6	55.4	0	0	0	0	108.9
380	E	28.7	Very low	31.3	Very low	162 Å²	162	146.9 Å²	146.9	76%	0.757	75%	0.748	S	S	*	*			trans	80.4	129	162.7	-46.3	-156	172.3	0	0	117
381	E	29.5	Very low	31.4	Very low	181 Å²	181	142.1 Å²	142.1	85%	0.846	75%	0.751	S	S	*	*			cis	-142	177.1	-4.2	-62.1	-161.6	99.3	0	0	112.6
382	S	33	Very low	31.5	Very low	97 Å²	97	141.8 Å²	141.8	68%	0.678	75%	0.752	S	S	*	*			trans	-34.5	160.4	173.6	-74.1	0	0	0	0	119.3
383	E	33.2	Very low	31.5	Very low	181 Å²	181	136.8 Å²	136.8	85%	0.846	74%	0.742	S	S	*	*			cis	-165.6	180	-0.5	-114.2	164.2	-103.7	0	0	109.6
384	G	28.5	Very low	31.8	Very low	65 Å²	65	134.8 Å²	134.8	67%	0.67	74%	0.743	S	S	*	*			cis	162.9	-169.2	1.7	0	0	0	0	0	114.1
385	N	25.6	Very low	32.1	Very low	146 Å²	146	133 Å²	133	78%	0.781	74%	0.744	S	S	*	*			trans	66.2	82.8	176.1	-161.9	39.5	0	0	0	120.9
386	S	32.7	Very low	32.6	Very low	109 Å²	109	133.2 Å²	133.2	76%	0.762	75%	0.745	S	S	*	*			trans	76.7	124	136.9	-53.1	0	0	0	0	120.3
387	E	30	Very low	31.7	Very low	187 Å²	187	136.7 Å²	136.7	87%	0.874	75%	0.752	S	S	*	*			trans	-159.7	-162.8	-160	-140.3	-161.1	-165.7	0	0	110.4
388	P	56.3	Low	31.8	Very low	84 Å²	84	137.4 Å²	137.4	55%	0.545	75%	0.745	S	S	.	*				-135.6	-163.3	-109.5	47.5	-29	0	0	0	117.1
389	E	36.1	Very low	31.9	Very low	162 Å²	162	137.8 Å²	137.8	76%	0.757	75%	0.747	S	S	*	*			trans	35.7	145.5	136.5	-79.6	174.5	100.3	0	0	125.5
390	E	39.6	Very low	31.6	Very low	182 Å²	182	139.6 Å²	139.6	85%	0.85	75%	0.751	S	S	*	*			trans	56.3	142.7	138.2	-55.2	-89.4	112.3	0	0	121
391	G	29.6	Very low	31.6	Very low	82 Å²	82	139.3 Å²	139.3	85%	0.845	75%	0.753	S	S	*	*			trans	-177.4	144.9	173.7	0	0	0	0	0	116
392	E	27.8	Very low	31.3	Very low	177 Å²	177	138.3 Å²	138.3	83%	0.827	75%	0.749	S	S	*	*			trans	-122.3	151.5	-168.2	-134.2	-168.5	169.4	0	0	113.9
393	I	28.5	Very low	31	Very low	128 Å²	128	138.5 Å²	138.5	66%	0.656	75%	0.75	S	S	*	*			trans	28.1	121	157.9	57.8	155.4	0	0	0	124.7
394	T	32.3	Very low	30.5	Very low	120 Å²	120	134.4 Å²	134.4	74%	0.736	75%	0.747	S	S	*	*				78.6	154.9	127	61.2	0	0	0	0	125.3
395	E	28.1	Very low	30.4	Very low	173 Å²	173	136.9 Å²	136.9	81%	0.808	75%	0.754	S	S	*	*			trans	88.1	115.6	154.5	-55.9	-145.2	150.8	0	0	123.3
396	S	32.6	Very low	30.6	Very low	104 Å²	104	135.3 Å²	135.3	73%	0.727	76%	0.755	S	S	*	*				63.7	166	128.5	-48.3	0	0	0	0	120.6
397	E	27.9	Very low	30.9	Very low	183 Å²	183	135.4 Å²	135.4	86%	0.855	75%	0.753	S	S	*	*			cis	-135.1	164	12	-64.8	178.5	124	0	0	109.8
398	K	28.5	Very low	30.6	Very low	135 Å²	135	131.6 Å²	131.6	59%	0.587	75%	0.747	S	S	*	*				58.2	140.9	65	-129.7	-166.2	173.5	-64.4	0	114.7	D400	K398-D400 IonicContact NZ-OD1 2.77Å; K398-D400 PolarHBondContact NZ-OD1 2.91Å; K398-D400 IonicContact NZ-OD2 3.98Å; K398-D400 PolarHBondContact NZ-OD2 2.93Å
399	E	29.7	Very low	29.2	Very low	160 Å²	160	132.2 Å²	132.2	75%	0.748	75%	0.753	S	S	*	*			cis	-145.4	171.8	14.8	-25.8	-164.2	79.3	0	0	110.5
400	D	26.4	Very low	28.5	Very low	113 Å²	113	130 Å²	130	60%	0.604	75%	0.754	S	S	*	*			cis	-173.4	-169.8	-17.9	-100.6	27.7	0	0	0	108.1	K398	K398-D400 IonicContact NZ-OD1 2.77Å; K398-D400 PolarHBondContact NZ-OD1 2.91Å; K398-D400 IonicContact NZ-OD2 3.98Å; K398-D400 PolarHBondContact NZ-OD2 2.93Å
401	L	27.3	Very low	27.9	Very low	156 Å²	156	126.5 Å²	126.5	82%	0.817	75%	0.75	S	S	*	*			trans	78.6	163.3	164.7	-50.2	-178.5	0	0	0	119.5
402	E	24.6	Very low	27.8	Very low	161 Å²	161	128 Å²	128	75%	0.752	75%	0.748	S	S	*	*				-165.5	141.1	-52.5	-119.5	-162.8	116.6	0	0	111.3
403	S	24.9	Very low	28.2	Very low	100 Å²	100	125.6 Å²	125.6	70%	0.699	75%	0.747	S	S	*	*			trans	38.8	116.4	145.1	-56.3	0	0	0	0	124.7
404	A	24.2	Very low	28.2	Very low	95 Å²	95	128.1 Å²	128.1	79%	0.785	75%	0.753	S	S	*	*				94.6	157.2	123.8	0	0	0	0	0	124.3
405	S	25.1	Very low	27.9	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	75%	0.754	S	S	*	*			trans	82.8	108.7	163.9	68.2	0	0	0	0	121.3
406	S	31	Very low	27.8	Very low	114 Å²	114	126.4 Å²	126.4	80%	0.797	75%	0.747	S	S	*	*			trans	-72.2	162.2	145.8	-35.3	0	0	0	0	109.9
407	P	38.6	Very low	27.7	Very low	110 Å²	110	131 Å²	131	71%	0.714	75%	0.748	S	S	*	*				-157.4	178.6	84.8	41.5	-22.6	0	0	0	117.1
408	S	24.5	Very low	27.6	Very low	108 Å²	108	129.4 Å²	129.4	76%	0.755	74%	0.741	S	S	*	*			trans	68.1	151.3	150.4	67.7	0	0	0	0	119.6
409	S	26.6	Very low	27.5	Very low	96 Å²	96	128.4 Å²	128.4	67%	0.671	75%	0.751	S	S	*	*			cis	-173.7	151.7	-20	50.4	0	0	0	0	111.2
410	C	20.7	Very low	28.2	Very low	115 Å²	115	125.8 Å²	125.8	78%	0.777	75%	0.747	S	S	*	*			trans	56.2	153.4	160.6	69.7	0	0	0	0	118.2
411	S	26.7	Very low	28.1	Very low	110 Å²	110	128.5 Å²	128.5	77%	0.769	76%	0.757	S	S	*	*			cis	-151.4	162.5	27.9	-58.4	0	0	0	0	113.2
412	S	28.4	Very low	28.4	Very low	114 Å²	114	126.3 Å²	126.3	80%	0.797	75%	0.754	S	S	*	*			trans	-84.1	166.4	169.5	-42	0	0	0	0	112.4
413	P	36	Very low	28.6	Very low	125 Å²	125	127.4 Å²	127.4	81%	0.812	76%	0.759	S	S	*	*				-147.5	142	94	37	-20	0	0	0	117.9
414	K	27.7	Very low	28.9	Very low	181 Å²	181	131.5 Å²	131.5	79%	0.787	77%	0.77	S	S	*	*			trans	-5.7	137.2	152.8	-46.7	170.2	-175	177.4	0	118.7
415	H	27	Very low	29.4	Very low	164 Å²	164	135.1 Å²	135.1	76%	0.759	77%	0.771	S	S	*	*				-172.4	137.4	91.5	-119.4	-89.6	0	0	0	117.3
416	S	25.7	Very low	29.9	Very low	93 Å²	93	136.3 Å²	136.3	65%	0.65	77%	0.773	S	S	*	*			trans	57.4	128.2	146.8	50.4	0	0	0	0	125.5
417	R	29.8	Very low	30	Very low	201 Å²	201	139.3 Å²	139.3	76%	0.758	77%	0.774	S	S	*	*			trans	91.8	116.8	139	-77.9	-178	178.8	-87.2	-3.4	121.6
418	E	26.2	Very low	29.8	Very low	150 Å²	150	139.3 Å²	139.3	70%	0.701	78%	0.777	S	S	*	*			trans	58.5	119	131.7	-67.5	151.1	162	0	0	120.7
419	S	25.5	Very low	30.3	Very low	113 Å²	113	142.1 Å²	142.1	79%	0.79	78%	0.778	S	S	*	*			trans	-80.5	177.1	170.6	-15.4	0	0	0	0	112.7
420	P	44.8	Very low	30.9	Very low	105 Å²	105	146.4 Å²	146.4	68%	0.682	79%	0.787	S	S	*	*			cis	-128.2	-178.8	-7.4	27.9	-5.3	0	0	0	113.3
421	E	25.1	Very low	31.6	Very low	171 Å²	171	145.8 Å²	145.8	80%	0.799	78%	0.779	S	S	*	*				150.7	136.5	125.4	-82	174.7	-169.8	0	0	114
422	S	32.7	Very low	32.4	Very low	109 Å²	109	147.2 Å²	147.2	76%	0.762	78%	0.778	S	S	*	*			trans	65.4	166.9	162.2	65.6	0	0	0	0	120.1
423	E	30.1	Very low	33.2	Very low	184 Å²	184	146.7 Å²	146.7	86%	0.86	77%	0.767	S	S	*	*			trans	63.7	75	166.4	-56	-172.1	180	0	0	117.8
424	M	31.3	Very low	34	Very low	186 Å²	186	147.9 Å²	147.9	92%	0.916	76%	0.759	S	S	*	*			trans	-89.9	110.7	159.6	-177.6	172.2	-179.6	0	0	109.9
425	E	34.2	Very low	35.8	Very low	172 Å²	172	148 Å²	148	80%	0.804	76%	0.755	S	S	*	*			trans	-64.7	145.7	174.4	-70.8	-172.4	117.9	0	0	112.3	Q427	E425-Q427 PolarHBondContact O-N 2.92Å
426	V	35.1	Very low	37.9	Very low	142 Å²	142	142.5 Å²	142.5	86%	0.861	73%	0.734	S	S	*	*			trans	-76.9	93.9	178.9	-178	0	0	0	0	110.2
427	Q	33.4	Very low	40.5	Very low	176 Å²	176	138.9 Å²	138.9	82%	0.822	71%	0.708	S	S	*	*			trans	-88	120.1	151	-66.7	-171.9	14.2	0	0	108	E425 Q429	E425-Q427 PolarHBondContact O-N 2.92Å; Q427-Q429 PolarHBondContact O-N 3.44Å
428	S	33.8	Very low	43.2	Very low	111 Å²	111	130.1 Å²	130.1	78%	0.776	68%	0.678	S	S	*	*			trans	-72.4	72.9	177.2	58.1	0	0	0	0	110.5	E430	S428-E430 PolarHBondContact O-N 3.23Å
429	Q	34.7	Very low	46.3	Very low	166 Å²	166	123 Å²	123	78%	0.776	65%	0.645	S	S	*	*			trans	-56.8	124.8	161.9	-171.7	171.3	4.4	0	0	107	Q427 V431	Q427-Q429 PolarHBondContact O-N 3.44Å; Q429-V431 PolarHBondContact O-N 2.86Å
430	E	39.7	Very low	49.4	Very low	187 Å²	187	119.5 Å²	119.5	87%	0.874	61%	0.614	S	S	*	*			trans	-65.9	88.9	174.6	-69.6	-177.3	145.4	0	0	108.5	S428 N432	S428-E430 PolarHBondContact O-N 3.23Å; E430-N432 PolarHBondContact O-N 3.4Å
431	V	36.6	Very low	51.7	Low	101 Å²	101	114.5 Å²	114.5	61%	0.612	58%	0.582	S	S	*	*			trans	-66.7	88.2	164.1	-173.8	0	0	0	0	105.2	Q429 N433	Q429-V431 PolarHBondContact O-N 2.86Å; V431-N433 WeakPolarHBondContact CG1-OD1 3.5Å; V431-N433 PolarHBondContact O-N 3.31Å; V431-N433 PolarHBondContact O-ND2 2.72Å
432	N	43.4	Very low	54.9	Low	140 Å²	140	106.6 Å²	106.6	75%	0.749	55%	0.545	S	S	*	.			trans	-60.8	93	169.1	-172.5	10.1	0	0	0	105.9	E430 F434	E430-N432 PolarHBondContact O-N 3.4Å; N432-F434 PolarHBondContact O-N 3.26Å
433	N	43.8	Very low	57.8	Low	104 Å²	104	101.4 Å²	101.4	56%	0.556	51%	0.509	S	S	*	.			trans	-68.2	83.5	-171.3	-75.3	-47.8	0	0	0	108.3	V431 W435	V431-N433 WeakPolarHBondContact CG1-OD1 3.5Å; V431-N433 PolarHBondContact O-N 3.31Å; V431-N433 PolarHBondContact O-ND2 2.72Å; N433-W435 PolarHBondContact O-N 3Å
434	F	53.5	Low	60.7	Low	149 Å²	149	95.3 Å²	95.3	65%	0.654	48%	0.484	S	S	*	.			trans	-75.1	66.5	176.3	-160.7	-92.3	0	0	0	108.1	N432	N432-F434 PolarHBondContact O-N 3.26Å
435	W	65.4	Low	63.5	Low	183 Å²	183	94.3 Å²	94.3	69%	0.693	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-49.5	125.6	168.6	-67.7	101.4	0	0	0	107.3	N433	N433-W435 PolarHBondContact O-N 3Å
436	P	70.9	Confident	66.2	Low	50 Å²	50	86.9 Å²	86.9	33%	0.325	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-49.9	146	174.6	-28.9	36.6	0	0	0	110.1	C438 A459 F491	P436-C438 PolarHBondContact O-N 3.35Å; P436-A459 HydrophobicContact CB-CB 3.38Å; P436-A459 HydrophobicContact CG-CB 3.79Å; P436-F491 HydrophobicContact CB-CD1 4.5Å; P436-F491 HydrophobicContact CB-CE1 4.14Å; P436-F491 HydrophobicContact CB-CZ 4.16Å
437	P	80.6	Confident	68.8	Low	16 Å²	16	84.2 Å²	84.2	10%	0.104	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-55.4	144.9	175.2	26.1	-34.2	0	0	0	109.6	F491 Y498 I545 H546	P437-F491 HydrophobicContact CG-CE2 3.91Å; P437-Y498 HydrophobicContact CG-CE2 4.38Å; P437-Y498 WeakPolarHBondContact O-CE2 3.41Å; P437-Y498 PolarHBondContact O-OH 3.43Å; P437-I545 HydrophobicContact CB-CG2 3.85Å; P437-I545 HydrophobicContact CG-CG2 4.29Å; P437-H546 CarbonylContact C-O 3.58Å; P437-H546 WeakPolarHBondContact CA-O 3.41Å; P437-H546 VanDerWaalsContact CB-O 3.27Å; P437-H546 WeakPolarHBondContact CB-O 3.4Å
438	C	86.8	Confident	71.3	Confident	18 Å²	18	78 Å²	78	12%	0.122	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	156.2	170.7	67.6	0	0	0	0	110.2	P436 I456 I457 H546	P436-C438 PolarHBondContact O-N 3.35Å; C438-I456 HydrophobicContact CB-CG2 4.39Å; C438-I457 WeakPolarHBondContact CA-O 3.42Å; C438-H546 PolarHBondContact N-O 2.9Å; C438-H546 PolarHBondContact O-N 3.3Å
439	V	90.8	Very high	73.9	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.5	170.8	-158.6	0	0	0	0	110.5	V441 I456 I457 Y498 F543 I545	V439-V441 HydrophobicContact CG1-CG2 4.09Å; V439-I456 WeakPolarHBondContact O-CA 3.36Å; V439-I457 HydrophobicContact CB-CB 4.21Å; V439-I457 PolarHBondContact N-O 2.99Å; V439-I457 PolarHBondContact O-N 3.48Å; V439-Y498 HydrophobicContact CG2-CD1 3.79Å; V439-Y498 HydrophobicContact CG2-CD2 3.26Å; V439-Y498 HydrophobicContact CG2-CE1 3.83Å; V439-Y498 HydrophobicContact CG2-CE2 3.31Å; V439-Y498 HydrophobicContact CG2-CG 3.48Å; V439-Y498 VanDerWaalsContact CG2-CG 3.48Å; V439-F543 HydrophobicContact CG1-CB 4.07Å; V439-F543 HydrophobicContact CG1-CD1 3.85Å; V439-F543 HydrophobicContact CG1-CG 4.37Å; V439-I545 HydrophobicContact CG1-CG1 4.06Å; V439-I545 HydrophobicContact CG2-CG1 4.19Å
440	R	91.3	Very high	76.4	Confident	40 Å²	40	73.3 Å²	73.3	15%	0.151	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	114.8	170.8	-78.3	-179.4	161.2	122.3	-6.7	108.5	L454 I456 H544 T549 D550 T551 C555	R440-L454 HydrophobicContact CB-CD1 3.68Å; R440-L454 HydrophobicContact CG-CD1 4.06Å; R440-I456 HydrophobicContact CG-CG1 4.41Å; R440-H544 HydrophobicContact CB-CB 4.32Å; R440-H544 PolarHBondContact N-O 3.08Å; R440-H544 PolarHBondContact O-N 3.14Å; R440-T549 PolarHBondContact NH1-O 3.29Å; R440-D550 PolarHBondContact NH1-O 2.89Å; R440-T551 VanDerWaalsContact CZ-CG2 3.44Å; R440-T551 VanDerWaalsContact NH1-CG2 3.34Å; R440-C555 VanDerWaalsContact CB-SG 3.6Å; R440-C555 VanDerWaalsContact CD-SG 3.58Å
441	V	92.9	Very high	78.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	112.2	-175.2	-176.7	0	0	0	0	109.7	V439 F455 I457 L541 S542 F543	V439-V441 HydrophobicContact CG1-CG2 4.09Å; V441-F455 HydrophobicContact CB-CB 4.4Å; V441-F455 PolarHBondContact N-O 2.76Å; V441-F455 PolarHBondContact O-N 3.38Å; V441-I457 HydrophobicContact CG2-CD1 3.68Å; V441-I457 HydrophobicContact CG2-CG1 4.37Å; V441-L541 HydrophobicContact CG1-CB 3.84Å; V441-L541 HydrophobicContact CG1-CD1 3.9Å; V441-L541 HydrophobicContact CG1-CG 4.29Å; V441-S542 CarbonylContact C-O 3.53Å; V441-S542 WeakPolarHBondContact CA-O 3.3Å; V441-F543 HydrophobicContact CG1-CD2 4.09Å; V441-F543 HydrophobicContact CG1-CE1 4.38Å; V441-F543 HydrophobicContact CG1-CE2 3.78Å; V441-F543 HydrophobicContact CG1-CZ 3.95Å; V441-F543 HydrophobicContact CG2-CD1 3.67Å; V441-F543 HydrophobicContact CG2-CD2 4.45Å; V441-F543 HydrophobicContact CG2-CE1 3.65Å; V441-F543 HydrophobicContact CG2-CE2 4.43Å; V441-F543 HydrophobicContact CG2-CG 4.09Å; V441-F543 HydrophobicContact CG2-CZ 4.06Å
442	T	92.4	Very high	81.1	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.1	-176.7	55.2	0	0	0	0	112.4	V444 T453 L454 L541 S542	T442-V444 PolarHBondContact O-N 3.28Å; T442-T453 WeakPolarHBondContact CA-O 3.42Å; T442-L454 HydrophobicContact CG2-CB 4.48Å; T442-L454 HydrophobicContact CG2-CD1 3.77Å; T442-L541 CarbonylContact O-C 3.57Å; T442-L541 WeakPolarHBondContact O-CA 3.21Å; T442-S542 PolarHBondContact N-O 3.09Å; T442-S542 PolarHBondContact O-N 3.48Å
443	V	93	Very high	83.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	102.8	177.6	-176.4	0	0	0	0	110.3	L449 V451 G452 T453 F455 L541	V443-L449 HydrophobicContact CG1-CB 4.18Å; V443-L449 HydrophobicContact CG2-CB 4.19Å; V443-L449 HydrophobicContact CG2-CD1 3.9Å; V443-V451 WeakPolarHBondContact O-CG1 3.37Å; V443-G452 PolarHBondContact O-N 2.96Å; V443-T453 PolarHBondContact N-O 3.08Å; V443-F455 HydrophobicContact CG2-CE2 3.88Å; V443-L541 HydrophobicContact CB-CD2 4.26Å; V443-L541 HydrophobicContact CG1-CD2 4.45Å; V443-L541 HydrophobicContact CG2-CD2 3.81Å
444	V	90.2	Very high	85.5	Confident	55 Å²	55	54.6 Å²	54.6	33%	0.333	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-35.1	177.6	-179.2	0	0	0	0	111.4	T442 V451 V540	T442-V444 PolarHBondContact O-N 3.28Å; V444-V451 VanDerWaalsContact C-CG1 3.48Å; V444-V451 WeakPolarHBondContact O-CG1 3.48Å; V444-V540 HydrophobicContact CB-CB 4.48Å; V444-V540 HydrophobicContact CB-CG1 4.35Å; V444-V540 PolarHBondContact N-O 3.23Å
445	R	90.7	Very high	87.3	Confident	166 Å²	166	50 Å²	50	63%	0.626	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154	136.3	175.1	179.8	175.4	176.5	148	-0	109.7	T539 V540	R445-T539 CarbonylContact O-C 3.56Å; R445-T539 VanDerWaalsContact O-CA 3.27Å; R445-T539 WeakPolarHBondContact O-CA 3.41Å; R445-V540 HydrophobicContact CB-CB 4.14Å; R445-V540 HydrophobicContact CB-CG2 4.25Å; R445-V540 PolarHBondContact N-O 2.96Å; R445-V540 VanDerWaalsContact N-O 3.08Å; R445-V540 PolarHBondContact O-N 3.47Å
446	S	91.6	Very high	88.5	Confident	15 Å²	15	46.1 Å²	46.1	11%	0.105	25%	0.246	C	C	.	.			trans	-158.4	142.6	167.1	-176	0	0	0	0	110.3	A448 L449 E479 T539	S446-A448 VanDerWaalsContact C-N 3.31Å; S446-A448 PolarHBondContact OG-N 3.21Å; S446-L449 PolarHBondContact OG-N 2.9Å; S446-E479 PolarHBondContact OG-OE1 2.84Å; S446-T539 WeakPolarHBondContact CB-OG1 3.36Å; S446-T539 PolarHBondContact OG-OG1 2.82Å
447	P	88.8	Confident	89.4	Confident	86 Å²	86	44.1 Å²	44.1	56%	0.558	23%	0.233	S	C	*	.	S	Bend	trans	-74.5	-17.3	163.1	31.2	-37.4	0	0	0	113.6	E479 E538	P447-E479 VanDerWaalsContact CD-OE1 3.25Å; P447-E479 WeakPolarHBondContact CD-OE1 3.48Å; P447-E479 HydrophobicContact CG-CG 4.06Å; P447-E479 WeakPolarHBondContact CG-OE1 3.35Å; P447-E538 HydrophobicContact CG-CB 3.91Å
448	A	86.2	Confident	89.8	Confident	46 Å²	46	46 Å²	46	38%	0.38	24%	0.244	S	C	.	.	S	Bend	trans	-121.2	-28.5	-167.5	0	0	0	0	0	114.8	S446 P478 E479	S446-A448 VanDerWaalsContact C-N 3.31Å; S446-A448 PolarHBondContact OG-N 3.21Å; A448-P478 HydrophobicContact CB-CG 4.12Å; A448-E479 HydrophobicContact CB-CG 3.85Å
449	L	89.3	Confident	89.8	Confident	35 Å²	35	46.3 Å²	46.3	18%	0.183	25%	0.248	C	C	.	.	S	Bend	trans	-100	152.5	170.8	-66.3	-173.6	0	0	0	111.3	V443 S446 V451 F455 V475 L477	V443-L449 HydrophobicContact CG1-CB 4.18Å; V443-L449 HydrophobicContact CG2-CB 4.19Å; V443-L449 HydrophobicContact CG2-CD1 3.9Å; S446-L449 PolarHBondContact OG-N 2.9Å; L449-V451 PolarHBondContact O-N 3.18Å; L449-F455 HydrophobicContact CD1-CE2 3.92Å; L449-F455 HydrophobicContact CD1-CZ 3.95Å; L449-V475 HydrophobicContact CD1-CG1 4.42Å; L449-L477 HydrophobicContact CD1-CD2 3.53Å; L449-L477 HydrophobicContact CG-CD2 4.16Å
450	Q	87.4	Confident	89.5	Confident	143 Å²	143	52.5 Å²	52.5	67%	0.668	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-69.9	123.4	173.1	179.1	167.4	-15.9	0	0	110.2	G452 T453	Q450-G452 PolarHBondContact O-N 2.78Å; Q450-T453 VanDerWaalsContact O-CB 3.31Å; Q450-T453 WeakPolarHBondContact O-CB 3.36Å; Q450-T453 PolarHBondContact O-N 2.87Å; Q450-T453 VanDerWaalsContact O-N 3.1Å; Q450-T453 PolarHBondContact O-OG1 2.71Å
451	V	89.2	Confident	89.2	Confident	36 Å²	36	53.9 Å²	53.9	22%	0.218	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	133.8	178.1	-156	0	0	0	0	109.9	V443 V444 L449 I564	V443-V451 WeakPolarHBondContact O-CG1 3.37Å; V444-V451 VanDerWaalsContact C-CG1 3.48Å; V444-V451 WeakPolarHBondContact O-CG1 3.48Å; L449-V451 PolarHBondContact O-N 3.18Å; V451-I564 HydrophobicContact CB-CD1 4.4Å; V451-I564 HydrophobicContact CG1-CD1 3.64Å; V451-I564 HydrophobicContact CG1-CG1 4.41Å; V451-I564 HydrophobicContact CG1-CG2 4.44Å
452	G	84.8	Confident	89.1	Confident	6 Å²	6	57.9 Å²	57.9	6%	0.062	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	2.2	-170.2	0	0	0	0	0	115.3	V443 Q450	V443-G452 PolarHBondContact O-N 2.96Å; Q450-G452 PolarHBondContact O-N 2.78Å
453	T	89.5	Confident	89.2	Confident	47 Å²	47	57.9 Å²	57.9	29%	0.288	32%	0.324	S	S	.	.			trans	-66.1	138.3	168.3	-54.4	0	0	0	0	110	T442 V443 Q450 F455	T442-T453 WeakPolarHBondContact CA-O 3.42Å; V443-T453 PolarHBondContact N-O 3.08Å; Q450-T453 VanDerWaalsContact O-CB 3.31Å; Q450-T453 WeakPolarHBondContact O-CB 3.36Å; Q450-T453 PolarHBondContact O-N 2.87Å; Q450-T453 VanDerWaalsContact O-N 3.1Å; Q450-T453 PolarHBondContact O-OG1 2.71Å; T453-F455 HydrophobicContact CG2-CD2 4.39Å; T453-F455 HydrophobicContact CG2-CE2 3.76Å; T453-F455 HydrophobicContact CG2-CZ 3.83Å
454	L	90.1	Very high	89.2	Confident	51 Å²	51	59.4 Å²	59.4	27%	0.267	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.3	175.6	172.1	64.6	0	0	0	110.1	R440 T442 P557	R440-L454 HydrophobicContact CB-CD1 3.68Å; R440-L454 HydrophobicContact CG-CD1 4.06Å; T442-L454 HydrophobicContact CG2-CB 4.48Å; T442-L454 HydrophobicContact CG2-CD1 3.77Å; L454-P557 HydrophobicContact CB-CG 4.39Å
455	F	91.3	Very high	89.4	Confident	51 Å²	51	56.8 Å²	56.8	22%	0.224	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	154.4	166.4	-57.6	-91.7	0	0	0	109.4	V441 V443 L449 T453 V475	V441-F455 HydrophobicContact CB-CB 4.4Å; V441-F455 PolarHBondContact N-O 2.76Å; V441-F455 PolarHBondContact O-N 3.38Å; V443-F455 HydrophobicContact CG2-CE2 3.88Å; L449-F455 HydrophobicContact CD1-CE2 3.92Å; L449-F455 HydrophobicContact CD1-CZ 3.95Å; T453-F455 HydrophobicContact CG2-CD2 4.39Å; T453-F455 HydrophobicContact CG2-CE2 3.76Å; T453-F455 HydrophobicContact CG2-CZ 3.83Å; F455-V475 HydrophobicContact CB-CG2 3.96Å; F455-V475 HydrophobicContact CD1-CG2 4.07Å; F455-V475 HydrophobicContact CD2-CG1 4.19Å; F455-V475 HydrophobicContact CD2-CG2 4.21Å; F455-V475 HydrophobicContact CE2-CG1 4.05Å; F455-V475 HydrophobicContact CG-CG1 4.48Å; F455-V475 HydrophobicContact CG-CG2 3.82Å; F455-V475 HydrophobicContact CZ-CG1 4.22Å
456	I	90.7	Very high	89.6	Confident	103 Å²	103	48.9 Å²	48.9	53%	0.528	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.2	177.8	-57	179.8	0	0	0	108.7	C438 V439 R440	C438-I456 HydrophobicContact CB-CG2 4.39Å; V439-I456 WeakPolarHBondContact O-CA 3.36Å; R440-I456 HydrophobicContact CG-CG1 4.41Å
457	I	90.4	Very high	89.6	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.036	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122	176.3	-61.8	171.1	0	0	0	107.3	C438 V439 V441 A463 F465 Y498 F543	C438-I457 WeakPolarHBondContact CA-O 3.42Å; V439-I457 HydrophobicContact CB-CB 4.21Å; V439-I457 PolarHBondContact N-O 2.99Å; V439-I457 PolarHBondContact O-N 3.48Å; V441-I457 HydrophobicContact CG2-CD1 3.68Å; V441-I457 HydrophobicContact CG2-CG1 4.37Å; I457-A463 HydrophobicContact CB-CB 4.22Å; I457-A463 HydrophobicContact CD1-CB 3.59Å; I457-A463 HydrophobicContact CG1-CB 3.61Å; I457-A463 HydrophobicContact CG2-CB 3.65Å; I457-F465 HydrophobicContact CD1-CE2 4.2Å; I457-F465 HydrophobicContact CD1-CZ 3.84Å; I457-Y498 HydrophobicContact CG2-CE1 3.96Å; I457-Y498 PolarHBondContact O-OH 3.46Å; I457-F543 HydrophobicContact CD1-CE1 4.36Å
458	T	88.9	Confident	89.8	Confident	56 Å²	56	49.2 Å²	49.2	34%	0.344	28%	0.276	S	S	.	.			trans	-89.3	-178.4	172.6	58	0	0	0	0	110.4	D460 Y498	T458-D460 VanDerWaalsContact CB-OD1 3.31Å; T458-D460 WeakPolarHBondContact CB-OD1 3.46Å; T458-D460 VanDerWaalsContact CB-OD2 3.23Å; T458-D460 WeakPolarHBondContact CB-OD2 3.12Å; T458-D460 VanDerWaalsContact OG1-CG 3.27Å; T458-D460 PolarHBondContact OG1-OD1 3.13Å; T458-D460 PolarHBondContact OG1-OD2 2.91Å; T458-Y498 PolarHBondContact O-OH 2.71Å
459	A	85.8	Confident	89.8	Confident	25 Å²	25	53.7 Å²	53.7	21%	0.207	29%	0.287	C	S	.	.	S	Bend	trans	-93	-24	177.9	0	0	0	0	0	112.6	P436 S461 F491 Y498	P436-A459 HydrophobicContact CB-CB 3.38Å; P436-A459 HydrophobicContact CG-CB 3.79Å; A459-S461 VanDerWaalsContact C-N 3.26Å; A459-S461 PolarHBondContact O-N 2.94Å; A459-F491 HydrophobicContact CB-CB 3.61Å; A459-F491 HydrophobicContact CB-CD1 3.8Å; A459-F491 HydrophobicContact CB-CD2 4.37Å; A459-F491 HydrophobicContact CB-CG 3.68Å; A459-Y498 PolarHBondContact N-OH 3.21Å
460	D	84.3	Confident	89.6	Confident	129 Å²	129	58.2 Å²	58.2	69%	0.69	31%	0.312	S	S	*	.	S	Bend	trans	-68.1	-12.2	-176.2	25.7	-73.4	0	0	0	114.7	T458	T458-D460 VanDerWaalsContact CB-OD1 3.31Å; T458-D460 WeakPolarHBondContact CB-OD1 3.46Å; T458-D460 VanDerWaalsContact CB-OD2 3.23Å; T458-D460 WeakPolarHBondContact CB-OD2 3.12Å; T458-D460 VanDerWaalsContact OG1-CG 3.27Å; T458-D460 PolarHBondContact OG1-OD1 3.13Å; T458-D460 PolarHBondContact OG1-OD2 2.91Å
461	S	85.8	Confident	89.4	Confident	69 Å²	69	55.8 Å²	55.8	48%	0.483	30%	0.302	S	S	.	.	S	Bend	trans	-148.6	146.1	169.7	65.2	0	0	0	0	113.4	A459 A463	A459-S461 VanDerWaalsContact C-N 3.26Å; A459-S461 PolarHBondContact O-N 2.94Å; S461-A463 PolarHBondContact O-N 3.29Å
462	P	91.1	Very high	89.2	Confident	85 Å²	85	61 Å²	61	55%	0.552	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-74.1	118.5	177.1	29.8	-34.1	0	0	0	111.1	T464 V489	P462-T464 PolarHBondContact O-N 3.15Å; P462-V489 CarbonylContact C-O 3.56Å; P462-V489 WeakPolarHBondContact CA-O 3.34Å
463	A	93.4	Very high	89.5	Confident	5 Å²	5	61.6 Å²	61.6	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	119.2	177.7	0	0	0	0	0	111.1	I457 S461 F465 A474 V489	I457-A463 HydrophobicContact CB-CB 4.22Å; I457-A463 HydrophobicContact CD1-CB 3.59Å; I457-A463 HydrophobicContact CG1-CB 3.61Å; I457-A463 HydrophobicContact CG2-CB 3.65Å; S461-A463 PolarHBondContact O-N 3.29Å; A463-F465 HydrophobicContact CB-CE2 4.35Å; A463-A474 HydrophobicContact CB-CB 3.9Å; A463-V489 PolarHBondContact N-O 3.33Å; A463-V489 PolarHBondContact O-N 2.92Å
464	T	94.6	Very high	89.6	Confident	32 Å²	32	62 Å²	62	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.9	177.4	64.3	0	0	0	0	112.2	P462 H473 A474 V475 F485	P462-T464 PolarHBondContact O-N 3.15Å; T464-H473 WeakPolarHBondContact O-CB 3.48Å; T464-H473 WeakPolarHBondContact OG1-CA 3.15Å; T464-H473 PolarHBondContact OG1-ND1 3.27Å; T464-A474 PolarHBondContact O-N 3.24Å; T464-V475 PolarHBondContact O-N 2.92Å; T464-F485 HydrophobicContact CG2-CE2 3.69Å; T464-F485 HydrophobicContact CG2-CZ 4.11Å
465	F	94.6	Very high	89.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.8	179.5	-65.7	-103.8	0	0	0	109	I457 A463 V475 H486 A487 V489 M536 L541 F543	I457-F465 HydrophobicContact CD1-CE2 4.2Å; I457-F465 HydrophobicContact CD1-CZ 3.84Å; A463-F465 HydrophobicContact CB-CE2 4.35Å; F465-V475 HydrophobicContact CD1-CB 3.63Å; F465-V475 HydrophobicContact CD1-CG1 4.11Å; F465-V475 HydrophobicContact CD1-CG2 4.16Å; F465-V475 HydrophobicContact CE1-CB 3.62Å; F465-V475 HydrophobicContact CE1-CG1 4.11Å; F465-V475 HydrophobicContact CE1-CG2 3.62Å; F465-V475 HydrophobicContact CG-CB 4.43Å; F465-V475 HydrophobicContact CZ-CB 4.41Å; F465-V475 HydrophobicContact CZ-CG2 4.05Å; F465-H486 WeakPolarHBondContact O-CB 3.47Å; F465-H486 PolarHBondContact O-N 3.46Å; F465-A487 HydrophobicContact CB-CB 4.34Å; F465-A487 PolarHBondContact N-O 3.38Å; F465-A487 PolarHBondContact O-N 2.9Å; F465-V489 HydrophobicContact CD2-CG2 4.28Å; F465-V489 HydrophobicContact CE2-CB 4.04Å; F465-V489 HydrophobicContact CE2-CG2 3.61Å; F465-V489 HydrophobicContact CZ-CG2 4.38Å; F465-M536 HydrophobicContact CB-CE 4.1Å; F465-M536 HydrophobicContact CB-SD 3.76Å; F465-M536 HydrophobicContact CD1-CE 3.82Å; F465-M536 HydrophobicContact CD1-SD 3.83Å; F465-M536 HydrophobicContact CD2-CE 4.32Å; F465-M536 HydrophobicContact CE1-CE 4.35Å; F465-M536 HydrophobicContact CG-CE 3.82Å; F465-M536 HydrophobicContact CG-SD 3.97Å; F465-L541 HydrophobicContact CD1-CD1 4.07Å; F465-L541 HydrophobicContact CE1-CD1 3.7Å; F465-F543 AromaticContact CE1-CZ 3.84Å; F465-F543 HydrophobicContact CE1-CZ 3.84Å; F465-F543 HydrophobicContact CE2-CE1 4.5Å; F465-F543 HydrophobicContact CE2-CZ 4.33Å; F465-F543 AromaticContact CZ-CE1 3.85Å; F465-F543 HydrophobicContact CZ-CE1 3.85Å; F465-F543 AromaticContact CZ-CZ 3.5Å; F465-F543 HydrophobicContact CZ-CZ 3.5Å; F465-F543 VanDerWaalsContact CZ-CZ 3.5Å
466	G	93.7	Very high	89.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.5	170.5	-176.7	0	0	0	0	0	115.2	H473 V475 R476 L477 K484	G466-H473 VanDerWaalsContact C-CD2 3.42Å; G466-H473 VanDerWaalsContact CA-CD2 3.46Å; G466-H473 WeakPolarHBondContact CA-CD2 3.46Å; G466-V475 PolarHBondContact N-O 2.75Å; G466-R476 CarbonylContact O-C 3.4Å; G466-R476 WeakPolarHBondContact O-CA 3.41Å; G466-L477 PolarHBondContact O-N 2.89Å; G466-K484 CarbonylContact C-O 3.52Å; G466-K484 VanDerWaalsContact CA-O 3.23Å; G466-K484 WeakPolarHBondContact CA-O 3.49Å
467	R	92.5	Very high	89.9	Confident	68 Å²	68	57.5 Å²	57.5	26%	0.257	31%	0.309	S	S	.	.	S	Bend	trans	-90.8	-27.9	-177.6	-172.2	179.1	79.7	-154.1	12.2	113.8	L477 E479 M480 V482 S483 K484	R467-L477 VanDerWaalsContact CA-O 3.29Å; R467-L477 WeakPolarHBondContact CA-O 3.48Å; R467-L477 WeakPolarHBondContact CB-O 3.26Å; R467-E479 WeakPolarHBondContact CD-O 3.18Å; R467-M480 PolarHBondContact NH1-O 3.15Å; R467-V482 PolarHBondContact NH1-O 2.57Å; R467-S483 WeakPolarHBondContact CB-O 3.38Å; R467-S483 PolarHBondContact N-O 3.32Å; R467-K484 PolarHBondContact N-O 3.44Å
468	E	92.3	Very high	90	Very high	39 Å²	39	60.3 Å²	60.3	18%	0.182	33%	0.328	C	S	.	.			trans	-57.8	147.3	-176.9	-153.7	94.1	-88.7	0	0	110.4	D470 M471 H473 R476 K484	E468-D470 HydrophobicContact CG-CB 4.43Å; E468-M471 HydrophobicContact CB-CB 4.21Å; E468-M471 HydrophobicContact CB-CG 4.13Å; E468-M471 HydrophobicContact CB-SD 4.23Å; E468-M471 HydrophobicContact CG-CB 4.47Å; E468-M471 HydrophobicContact CG-CG 4.02Å; E468-M471 HydrophobicContact CG-SD 4.39Å; E468-H473 PolarHBondContact O-CD2 3.38Å; E468-R476 PolarHBondContact O-NE 2.92Å; E468-K484 PolarHBondContact N-O 2.75Å; E468-K484 VanDerWaalsContact N-O 3.1Å; E468-K484 IonicContact OE1-NZ 2.62Å; E468-K484 PolarHBondContact OE1-NZ 3.44Å; E468-K484 VanDerWaalsContact OE2-CD 3.26Å; E468-K484 WeakPolarHBondContact OE2-CD 3.18Å; E468-K484 WeakPolarHBondContact OE2-CE 3.38Å; E468-K484 WeakPolarHBondContact OE2-CG 3.44Å; E468-K484 IonicContact OE2-NZ 3.62Å; E468-K484 PolarHBondContact OE2-NZ 2.79Å
469	K	86.8	Confident	90	Very high	140 Å²	140	58.2 Å²	58.2	61%	0.609	31%	0.314	S	S	*	.	S	Bend	trans	-83.6	-36.7	167.7	-166.6	-171.9	174.4	-163.8	0	110.6	M471	K469-M471 VanDerWaalsContact C-N 3.33Å; K469-M471 PolarHBondContact O-N 3.4Å
470	D	84.9	Confident	90.1	Very high	131 Å²	131	64.5 Å²	64.5	70%	0.701	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.3	-159	-38	-62	0	0	0	113.2	E468	E468-D470 HydrophobicContact CG-CB 4.43Å
471	M	82.5	Confident	90.3	Very high	91 Å²	91	59.1 Å²	59.1	45%	0.448	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	6	175.2	-71	-177.2	73.5	0	0	113.8	E468 K469 H473 F485	E468-M471 HydrophobicContact CB-CB 4.21Å; E468-M471 HydrophobicContact CB-CG 4.13Å; E468-M471 HydrophobicContact CB-SD 4.23Å; E468-M471 HydrophobicContact CG-CB 4.47Å; E468-M471 HydrophobicContact CG-CG 4.02Å; E468-M471 HydrophobicContact CG-SD 4.39Å; K469-M471 VanDerWaalsContact C-N 3.33Å; K469-M471 PolarHBondContact O-N 3.4Å; M471-H473 VanDerWaalsContact CB-CE1 3.48Å; M471-H473 WeakPolarHBondContact CB-CE1 3.35Å; M471-H473 PolarHBondContact O-N 2.99Å; M471-F485 HydrophobicContact CE-CB 3.94Å; M471-F485 HydrophobicContact CE-CD1 4.16Å; M471-F485 HydrophobicContact CE-CG 4.07Å; M471-F485 HydrophobicContact SD-CB 4.19Å
472	N	84.6	Confident	90.6	Very high	145 Å²	145	55.9 Å²	55.9	78%	0.775	29%	0.294	S	S	*	.			trans	49.1	50.3	177.6	-66.5	-13.2	0	0	0	114.6
473	H	90.9	Very high	90.7	Very high	19 Å²	19	52.2 Å²	52.2	9%	0.088	27%	0.27	C	S	.	.			trans	-62.8	133.9	179	-63.9	-47	0	0	0	113.3	T464 G466 E468 M471 V475 R476 K484	T464-H473 WeakPolarHBondContact O-CB 3.48Å; T464-H473 WeakPolarHBondContact OG1-CA 3.15Å; T464-H473 PolarHBondContact OG1-ND1 3.27Å; G466-H473 VanDerWaalsContact C-CD2 3.42Å; G466-H473 VanDerWaalsContact CA-CD2 3.46Å; G466-H473 WeakPolarHBondContact CA-CD2 3.46Å; E468-H473 PolarHBondContact O-CD2 3.38Å; M471-H473 VanDerWaalsContact CB-CE1 3.48Å; M471-H473 WeakPolarHBondContact CB-CE1 3.35Å; M471-H473 PolarHBondContact O-N 2.99Å; H473-V475 VanDerWaalsContact C-N 3.28Å; H473-V475 PolarHBondContact O-N 2.85Å; H473-R476 HydrophobicContact CB-CB 4.48Å; H473-K484 PolarHBondContact NE2-O 2.65Å
474	A	91.7	Very high	90.7	Very high	56 Å²	56	57.4 Å²	57.4	46%	0.463	29%	0.292	S	S	.	.	S	Bend	trans	-60.7	-37.6	176.4	0	0	0	0	0	111.9	A463 T464	A463-A474 HydrophobicContact CB-CB 3.9Å; T464-A474 PolarHBondContact O-N 3.24Å
475	V	92.4	Very high	90.6	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	100.9	167.7	-175.1	0	0	0	0	109	L449 F455 T464 F465 G466 H473 L477 L541	L449-V475 HydrophobicContact CD1-CG1 4.42Å; F455-V475 HydrophobicContact CB-CG2 3.96Å; F455-V475 HydrophobicContact CD1-CG2 4.07Å; F455-V475 HydrophobicContact CD2-CG1 4.19Å; F455-V475 HydrophobicContact CD2-CG2 4.21Å; F455-V475 HydrophobicContact CE2-CG1 4.05Å; F455-V475 HydrophobicContact CG-CG1 4.48Å; F455-V475 HydrophobicContact CG-CG2 3.82Å; F455-V475 HydrophobicContact CZ-CG1 4.22Å; T464-V475 PolarHBondContact O-N 2.92Å; F465-V475 HydrophobicContact CD1-CB 3.63Å; F465-V475 HydrophobicContact CD1-CG1 4.11Å; F465-V475 HydrophobicContact CD1-CG2 4.16Å; F465-V475 HydrophobicContact CE1-CB 3.62Å; F465-V475 HydrophobicContact CE1-CG1 4.11Å; F465-V475 HydrophobicContact CE1-CG2 3.62Å; F465-V475 HydrophobicContact CG-CB 4.43Å; F465-V475 HydrophobicContact CZ-CB 4.41Å; F465-V475 HydrophobicContact CZ-CG2 4.05Å; G466-V475 PolarHBondContact N-O 2.75Å; H473-V475 VanDerWaalsContact C-N 3.28Å; H473-V475 PolarHBondContact O-N 2.85Å; V475-L477 HydrophobicContact CG1-CD2 4.12Å; V475-L477 HydrophobicContact CG1-CG 4.36Å; V475-L541 HydrophobicContact CG1-CD1 4.44Å
476	R	93.6	Very high	90.5	Very high	109 Å²	109	58.6 Å²	58.6	41%	0.411	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.8	178.8	-173	173.9	174.1	-123.4	-8.3	111	G466 E468 H473 P478	G466-R476 CarbonylContact O-C 3.4Å; G466-R476 WeakPolarHBondContact O-CA 3.41Å; E468-R476 PolarHBondContact O-NE 2.92Å; H473-R476 HydrophobicContact CB-CB 4.48Å; R476-P478 WeakPolarHBondContact O-CD 3.46Å
477	L	93.6	Very high	90.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.294	C	S	.	.			trans	-114.9	89.8	-177.9	-63.1	177.6	0	0	0	109.9	L449 G466 R467 V475 E479 V482 M536 T539	L449-L477 HydrophobicContact CD1-CD2 3.53Å; L449-L477 HydrophobicContact CG-CD2 4.16Å; G466-L477 PolarHBondContact O-N 2.89Å; R467-L477 VanDerWaalsContact CA-O 3.29Å; R467-L477 WeakPolarHBondContact CA-O 3.48Å; R467-L477 WeakPolarHBondContact CB-O 3.26Å; V475-L477 HydrophobicContact CG1-CD2 4.12Å; V475-L477 HydrophobicContact CG1-CG 4.36Å; L477-E479 PolarHBondContact O-N 2.86Å; L477-V482 HydrophobicContact CB-CB 4.22Å; L477-V482 HydrophobicContact CB-CG1 3.98Å; L477-V482 HydrophobicContact CB-CG2 4.02Å; L477-V482 HydrophobicContact CD1-CG1 4.22Å; L477-V482 HydrophobicContact CD1-CG2 4.11Å; L477-M536 HydrophobicContact CD1-CB 4.05Å; L477-M536 HydrophobicContact CD1-SD 3.93Å; L477-T539 HydrophobicContact CD1-CG2 4.41Å; L477-T539 HydrophobicContact CD2-CG2 3.88Å
478	P	91.1	Very high	90.5	Very high	67 Å²	67	57.2 Å²	57.2	44%	0.435	29%	0.29	S	S	.	.			trans	-77	47.6	-173.3	31.6	-34	0	0	0	113.5	A448 R476	A448-P478 HydrophobicContact CB-CG 4.12Å; R476-P478 WeakPolarHBondContact O-CD 3.46Å
479	E	90.4	Very high	90.7	Very high	11 Å²	11	55.3 Å²	55.3	5%	0.051	28%	0.282	C	S	.	.			trans	-106.3	137.9	-178.9	-73.5	178.9	-158.4	0	0	112.4	S446 P447 A448 R467 L477 G481 V482 E538 T539	S446-E479 PolarHBondContact OG-OE1 2.84Å; P447-E479 VanDerWaalsContact CD-OE1 3.25Å; P447-E479 WeakPolarHBondContact CD-OE1 3.48Å; P447-E479 HydrophobicContact CG-CG 4.06Å; P447-E479 WeakPolarHBondContact CG-OE1 3.35Å; A448-E479 HydrophobicContact CB-CG 3.85Å; R467-E479 WeakPolarHBondContact CD-O 3.18Å; L477-E479 PolarHBondContact O-N 2.86Å; E479-G481 PolarHBondContact O-N 2.56Å; E479-G481 VanDerWaalsContact O-N 3.16Å; E479-V482 HydrophobicContact CB-CB 4.27Å; E479-V482 HydrophobicContact CB-CG2 3.99Å; E479-V482 PolarHBondContact O-N 2.85Å; E479-E538 PolarHBondContact OE2-N 3.09Å; E479-T539 WeakPolarHBondContact OE1-CB 3.36Å; E479-T539 PolarHBondContact OE1-N 2.84Å; E479-T539 PolarHBondContact OE1-OG1 3Å; E479-T539 PolarHBondContact OE2-N 3.23Å
480	M	87.6	Confident	91	Very high	158 Å²	158	52.2 Å²	52.2	78%	0.778	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.9	171.6	-67.7	-58.9	-67.2	0	0	113.3	R467 V482	R467-M480 PolarHBondContact NH1-O 3.15Å; M480-V482 VanDerWaalsContact C-N 3.31Å
481	G	88.2	Confident	91.4	Very high	16 Å²	16	47.3 Å²	47.3	17%	0.165	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-17.5	174.6	0	0	0	0	0	114.8	E479 N507	E479-G481 PolarHBondContact O-N 2.56Å; E479-G481 VanDerWaalsContact O-N 3.16Å; G481-N507 PolarHBondContact O-ND2 3.4Å
482	V	92.6	Very high	91.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.226	C	C	.	.	S	Bend	trans	-97.8	147.5	176.3	-179.1	0	0	0	0	109.5	R467 L477 E479 M480 H486 M536	R467-V482 PolarHBondContact NH1-O 2.57Å; L477-V482 HydrophobicContact CB-CB 4.22Å; L477-V482 HydrophobicContact CB-CG1 3.98Å; L477-V482 HydrophobicContact CB-CG2 4.02Å; L477-V482 HydrophobicContact CD1-CG1 4.22Å; L477-V482 HydrophobicContact CD1-CG2 4.11Å; E479-V482 HydrophobicContact CB-CB 4.27Å; E479-V482 HydrophobicContact CB-CG2 3.99Å; E479-V482 PolarHBondContact O-N 2.85Å; M480-V482 VanDerWaalsContact C-N 3.31Å; V482-H486 HydrophobicContact CG1-CB 3.7Å; V482-M536 HydrophobicContact CG2-CB 4.29Å; V482-M536 WeakPolarHBondContact CG2-O 3.22Å
483	S	93.3	Very high	92	Very high	8 Å²	8	45.2 Å²	45.2	6%	0.056	22%	0.224	C	C	.	.			trans	-85	161.7	-177.7	-61.2	0	0	0	0	111.2	R467 F485 H486 Q506	R467-S483 WeakPolarHBondContact CB-O 3.38Å; R467-S483 PolarHBondContact N-O 3.32Å; S483-F485 CarbonylContact C-O 3.54Å; S483-F485 WeakPolarHBondContact CB-O 3.31Å; S483-F485 PolarHBondContact O-N 3.28Å; S483-H486 PolarHBondContact N-ND1 3.12Å; S483-Q506 PolarHBondContact OG-N 3.49Å
484	K	92.4	Very high	91.8	Very high	114 Å²	114	53.2 Å²	53.2	50%	0.496	26%	0.262	S	S	.	.	S	Bend	trans	-47.2	-62.6	-179.5	-84.3	174	158.7	-83.4	0	110.2	G466 R467 E468 H473	G466-K484 CarbonylContact C-O 3.52Å; G466-K484 VanDerWaalsContact CA-O 3.23Å; G466-K484 WeakPolarHBondContact CA-O 3.49Å; R467-K484 PolarHBondContact N-O 3.44Å; E468-K484 PolarHBondContact N-O 2.75Å; E468-K484 VanDerWaalsContact N-O 3.1Å; E468-K484 IonicContact OE1-NZ 2.62Å; E468-K484 PolarHBondContact OE1-NZ 3.44Å; E468-K484 VanDerWaalsContact OE2-CD 3.26Å; E468-K484 WeakPolarHBondContact OE2-CD 3.18Å; E468-K484 WeakPolarHBondContact OE2-CE 3.38Å; E468-K484 WeakPolarHBondContact OE2-CG 3.44Å; E468-K484 IonicContact OE2-NZ 3.62Å; E468-K484 PolarHBondContact OE2-NZ 2.79Å; H473-K484 PolarHBondContact NE2-O 2.65Å
485	F	92.3	Very high	91.5	Very high	57 Å²	57	56.4 Å²	56.4	25%	0.25	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.1	155.3	-174.7	-158.1	0	0	0	106.5	T464 M471 S483 A487 E488 Q503	T464-F485 HydrophobicContact CG2-CE2 3.69Å; T464-F485 HydrophobicContact CG2-CZ 4.11Å; M471-F485 HydrophobicContact CE-CB 3.94Å; M471-F485 HydrophobicContact CE-CD1 4.16Å; M471-F485 HydrophobicContact CE-CG 4.07Å; M471-F485 HydrophobicContact SD-CB 4.19Å; S483-F485 CarbonylContact C-O 3.54Å; S483-F485 WeakPolarHBondContact CB-O 3.31Å; S483-F485 PolarHBondContact O-N 3.28Å; F485-A487 WeakPolarHBondContact CE2-O 3.29Å; F485-E488 HydrophobicContact CE2-CB 4.3Å; F485-E488 HydrophobicContact CZ-CB 4.21Å; F485-Q503 HydrophobicContact CD1-CB 4.09Å; F485-Q503 HydrophobicContact CD1-CG 4.18Å; F485-Q503 HydrophobicContact CE1-CB 4.1Å; F485-Q503 HydrophobicContact CE1-CG 3.67Å; F485-Q503 HydrophobicContact CE2-CG 4.14Å; F485-Q503 HydrophobicContact CG-CB 4.41Å; F485-Q503 HydrophobicContact CZ-CB 4.4Å; F485-Q503 HydrophobicContact CZ-CG 3.65Å
486	H	92.6	Very high	91.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	-50.6	-173	-171.8	89.8	0	0	0	112.3	F465 V482 S483 Q503 S505 M536	F465-H486 WeakPolarHBondContact O-CB 3.47Å; F465-H486 PolarHBondContact O-N 3.46Å; V482-H486 HydrophobicContact CG1-CB 3.7Å; S483-H486 PolarHBondContact N-ND1 3.12Å; H486-Q503 PolarHBondContact O-N 2.49Å; H486-S505 VanDerWaalsContact CE1-CB 3.42Å; H486-S505 WeakPolarHBondContact CE1-CB 3.23Å; H486-S505 PolarHBondContact CE1-OG 3.27Å; H486-S505 WeakPolarHBondContact ND1-CB 3.42Å; H486-M536 WeakPolarHBondContact NE2-CB 3.47Å; H486-M536 WeakPolarHBondContact NE2-CG 3.38Å
487	A	93.8	Very high	91	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	160.9	177	0	0	0	0	0	111.2	F465 F485 L500 V501 M536	F465-A487 HydrophobicContact CB-CB 4.34Å; F465-A487 PolarHBondContact N-O 3.38Å; F465-A487 PolarHBondContact O-N 2.9Å; F485-A487 WeakPolarHBondContact CE2-O 3.29Å; A487-L500 HydrophobicContact CB-CD2 4.46Å; A487-V501 CarbonylContact C-O 3.52Å; A487-V501 WeakPolarHBondContact CA-O 3.37Å; A487-V501 WeakPolarHBondContact CB-O 3.27Å; A487-M536 HydrophobicContact CB-CE 3.8Å; A487-M536 HydrophobicContact CB-SD 4.48Å
488	E	93.9	Very high	91	Very high	38 Å²	38	56.9 Å²	56.9	18%	0.178	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.2	170.3	63.9	-162.1	174.1	0	0	109.5	F485 L500 V501 Q503 K522	F485-E488 HydrophobicContact CE2-CB 4.3Å; F485-E488 HydrophobicContact CZ-CB 4.21Å; E488-L500 WeakPolarHBondContact O-CA 3.49Å; E488-V501 HydrophobicContact CG-CB 3.78Å; E488-V501 HydrophobicContact CG-CG1 4.21Å; E488-V501 PolarHBondContact N-O 3.02Å; E488-V501 PolarHBondContact O-N 2.95Å; E488-Q503 HydrophobicContact CG-CG 4.13Å; E488-Q503 PolarHBondContact OE1-NE2 3.43Å; E488-Q503 VanDerWaalsContact OE1-NE2 3.09Å; E488-Q503 PolarHBondContact OE2-NE2 3.3Å; E488-K522 IonicContact OE1-NZ 2.69Å; E488-K522 PolarHBondContact OE1-NZ 2.7Å
489	V	94.8	Very high	91.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.3	173.6	174.5	0	0	0	0	107.9	P462 A463 F465 Y498 M499 L500 L528 F543	P462-V489 CarbonylContact C-O 3.56Å; P462-V489 WeakPolarHBondContact CA-O 3.34Å; A463-V489 PolarHBondContact N-O 3.33Å; A463-V489 PolarHBondContact O-N 2.92Å; F465-V489 HydrophobicContact CD2-CG2 4.28Å; F465-V489 HydrophobicContact CE2-CB 4.04Å; F465-V489 HydrophobicContact CE2-CG2 3.61Å; F465-V489 HydrophobicContact CZ-CG2 4.38Å; V489-Y498 HydrophobicContact CG1-CD1 3.84Å; V489-M499 WeakPolarHBondContact CA-O 3.38Å; V489-L500 HydrophobicContact CG2-CB 3.97Å; V489-L500 HydrophobicContact CG2-CD1 3.75Å; V489-L500 HydrophobicContact CG2-CG 3.82Å; V489-L528 HydrophobicContact CG1-CD1 3.89Å; V489-L528 HydrophobicContact CG2-CD1 4.17Å; V489-F543 HydrophobicContact CG2-CE1 4.14Å
490	Y	93.8	Very high	91.2	Very high	74 Å²	74	53.7 Å²	53.7	29%	0.29	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	158.5	178.9	63.8	-86.9	0	0	0	110.4	D492 Y498 M499 V501	Y490-D492 HydrophobicContact CE2-CB 4.4Å; Y490-Y498 WeakPolarHBondContact O-CA 3.2Å; Y490-M499 HydrophobicContact CD1-CB 4.41Å; Y490-M499 HydrophobicContact CD2-CB 4.4Å; Y490-M499 HydrophobicContact CE1-CB 3.91Å; Y490-M499 HydrophobicContact CE2-CB 3.89Å; Y490-M499 HydrophobicContact CE2-CG 4.11Å; Y490-M499 PolarHBondContact N-O 3.1Å; Y490-M499 VanDerWaalsContact N-O 3.11Å; Y490-M499 PolarHBondContact O-N 3.33Å; Y490-V501 HydrophobicContact CE1-CG2 4Å
491	F	92.9	Very high	91.5	Very high	29 Å²	29	46.2 Å²	46.2	13%	0.127	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.7	172	-174	-107.3	0	0	0	109.5	P436 P437 A459 Q496 Y498	P436-F491 HydrophobicContact CB-CD1 4.5Å; P436-F491 HydrophobicContact CB-CE1 4.14Å; P436-F491 HydrophobicContact CB-CZ 4.16Å; P437-F491 HydrophobicContact CG-CE2 3.91Å; A459-F491 HydrophobicContact CB-CB 3.61Å; A459-F491 HydrophobicContact CB-CD1 3.8Å; A459-F491 HydrophobicContact CB-CD2 4.37Å; A459-F491 HydrophobicContact CB-CG 3.68Å; F491-Q496 HydrophobicContact CZ-CB 4.33Å; F491-Y498 HydrophobicContact CB-CD1 4.2Å; F491-Y498 HydrophobicContact CB-CE1 3.82Å; F491-Y498 HydrophobicContact CD2-CD1 4.47Å; F491-Y498 AromaticContact CD2-CD2 3.89Å; F491-Y498 HydrophobicContact CD2-CD2 3.89Å; F491-Y498 HydrophobicContact CD2-CE1 4.31Å; F491-Y498 AromaticContact CD2-CE2 3.68Å; F491-Y498 HydrophobicContact CD2-CE2 3.68Å; F491-Y498 HydrophobicContact CD2-CG 4.3Å; F491-Y498 AromaticContact CD2-CZ 3.93Å; F491-Y498 HydrophobicContact CE2-CE2 4.34Å
492	D	92.2	Very high	91.7	Very high	30 Å²	30	45.9 Å²	45.9	16%	0.16	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	114.1	170.5	-177.4	-21.9	0	0	0	108.8	Y490 E494 Q495 Q496 S497 M499	Y490-D492 HydrophobicContact CE2-CB 4.4Å; D492-E494 VanDerWaalsContact C-N 3.35Å; D492-E494 WeakPolarHBondContact OD1-CB 3.27Å; D492-E494 PolarHBondContact OD1-N 2.86Å; D492-Q495 HydrophobicContact CB-CB 4.3Å; D492-Q495 PolarHBondContact OD1-N 3.49Å; D492-Q495 PolarHBondContact OD2-NE2 2.62Å; D492-Q496 VanDerWaalsContact O-CA 3.31Å; D492-Q496 WeakPolarHBondContact O-CA 3.06Å; D492-Q496 PolarHBondContact O-N 2.64Å; D492-S497 PolarHBondContact N-O 2.98Å; D492-S497 PolarHBondContact O-N 2.82Å; D492-M499 HydrophobicContact CB-CG 3.69Å
493	Q	87.4	Confident	91.7	Very high	161 Å²	161	48.4 Å²	48.4	75%	0.752	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.4	-177.6	-164.4	173.9	23.4	0	0	113	Q496	Q493-Q496 PolarHBondContact O-NE2 3.1Å
494	E	86.9	Confident	91.4	Very high	188 Å²	188	49.1 Å²	49.1	88%	0.879	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-41	176.2	-61.8	-172.3	-174.8	0	0	111	D492	D492-E494 VanDerWaalsContact C-N 3.35Å; D492-E494 WeakPolarHBondContact OD1-CB 3.27Å; D492-E494 PolarHBondContact OD1-N 2.86Å
495	Q	85	Confident	91.2	Very high	122 Å²	122	43.7 Å²	43.7	57%	0.57	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-10.3	180	-64.6	-174.5	91	0	0	114	D492 S497	D492-Q495 HydrophobicContact CB-CB 4.3Å; D492-Q495 PolarHBondContact OD1-N 3.49Å; D492-Q495 PolarHBondContact OD2-NE2 2.62Å; Q495-S497 VanDerWaalsContact CB-OG 3.3Å; Q495-S497 WeakPolarHBondContact CB-OG 3.17Å; Q495-S497 PolarHBondContact O-N 2.84Å
496	Q	86.8	Confident	90.9	Very high	93 Å²	93	46.9 Å²	46.9	44%	0.435	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	34.7	-173.7	-65.7	-70.4	-63.5	0	0	113.1	F491 D492 Q493	F491-Q496 HydrophobicContact CZ-CB 4.33Å; D492-Q496 VanDerWaalsContact O-CA 3.31Å; D492-Q496 WeakPolarHBondContact O-CA 3.06Å; D492-Q496 PolarHBondContact O-N 2.64Å; Q493-Q496 PolarHBondContact O-NE2 3.1Å
497	S	89.8	Confident	90.6	Very high	27 Å²	27	50.8 Å²	50.8	19%	0.189	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	151.9	-171.6	61.2	0	0	0	0	112.4	D492 Q495	D492-S497 PolarHBondContact N-O 2.98Å; D492-S497 PolarHBondContact O-N 2.82Å; Q495-S497 VanDerWaalsContact CB-OG 3.3Å; Q495-S497 WeakPolarHBondContact CB-OG 3.17Å; Q495-S497 PolarHBondContact O-N 2.84Å
498	Y	92.8	Very high	90.3	Very high	1 Å²	1	51 Å²	51	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.9	172.2	-81.5	-83.6	0	0	0	111.7	P437 V439 I457 T458 A459 V489 Y490 F491 A527 L528 I545	P437-Y498 HydrophobicContact CG-CE2 4.38Å; P437-Y498 WeakPolarHBondContact O-CE2 3.41Å; P437-Y498 PolarHBondContact O-OH 3.43Å; V439-Y498 HydrophobicContact CG2-CD1 3.79Å; V439-Y498 HydrophobicContact CG2-CD2 3.26Å; V439-Y498 HydrophobicContact CG2-CE1 3.83Å; V439-Y498 HydrophobicContact CG2-CE2 3.31Å; V439-Y498 HydrophobicContact CG2-CG 3.48Å; V439-Y498 VanDerWaalsContact CG2-CG 3.48Å; I457-Y498 HydrophobicContact CG2-CE1 3.96Å; I457-Y498 PolarHBondContact O-OH 3.46Å; T458-Y498 PolarHBondContact O-OH 2.71Å; A459-Y498 PolarHBondContact N-OH 3.21Å; V489-Y498 HydrophobicContact CG1-CD1 3.84Å; Y490-Y498 WeakPolarHBondContact O-CA 3.2Å; F491-Y498 HydrophobicContact CB-CD1 4.2Å; F491-Y498 HydrophobicContact CB-CE1 3.82Å; F491-Y498 HydrophobicContact CD2-CD1 4.47Å; F491-Y498 AromaticContact CD2-CD2 3.89Å; F491-Y498 HydrophobicContact CD2-CD2 3.89Å; F491-Y498 HydrophobicContact CD2-CE1 4.31Å; F491-Y498 AromaticContact CD2-CE2 3.68Å; F491-Y498 HydrophobicContact CD2-CE2 3.68Å; F491-Y498 HydrophobicContact CD2-CG 4.3Å; F491-Y498 AromaticContact CD2-CZ 3.93Å; F491-Y498 HydrophobicContact CE2-CE2 4.34Å; Y498-A527 WeakPolarHBondContact O-CA 3.42Å; Y498-L528 PolarHBondContact O-N 3.1Å; Y498-I545 HydrophobicContact CD2-CG2 4.43Å
499	M	93.2	Very high	90.2	Very high	9 Å²	9	49.2 Å²	49.2	4%	0.044	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.2	-178.8	-56	-55	-69.6	0	0	109.7	V489 Y490 D492 P525 H526 A527	V489-M499 WeakPolarHBondContact CA-O 3.38Å; Y490-M499 HydrophobicContact CD1-CB 4.41Å; Y490-M499 HydrophobicContact CD2-CB 4.4Å; Y490-M499 HydrophobicContact CE1-CB 3.91Å; Y490-M499 HydrophobicContact CE2-CB 3.89Å; Y490-M499 HydrophobicContact CE2-CG 4.11Å; Y490-M499 PolarHBondContact N-O 3.1Å; Y490-M499 VanDerWaalsContact N-O 3.11Å; Y490-M499 PolarHBondContact O-N 3.33Å; D492-M499 HydrophobicContact CB-CG 3.69Å; M499-P525 HydrophobicContact CB-CB 4.24Å; M499-P525 HydrophobicContact CE-CB 3.63Å; M499-H526 CarbonylContact C-O 3.37Å; M499-H526 WeakPolarHBondContact CA-O 3.34Å; M499-A527 HydrophobicContact CE-CB 4.15Å; M499-A527 HydrophobicContact SD-CB 3.8Å
500	L	93.5	Very high	90	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	135.2	171.4	-171.7	147.6	0	0	0	110.6	A487 E488 V489 T509 I511 H526 L528 V534 M536	A487-L500 HydrophobicContact CB-CD2 4.46Å; E488-L500 WeakPolarHBondContact O-CA 3.49Å; V489-L500 HydrophobicContact CG2-CB 3.97Å; V489-L500 HydrophobicContact CG2-CD1 3.75Å; V489-L500 HydrophobicContact CG2-CG 3.82Å; L500-T509 HydrophobicContact CD2-CG2 4.09Å; L500-I511 HydrophobicContact CD1-CD1 4.21Å; L500-I511 HydrophobicContact CD2-CD1 4.36Å; L500-H526 PolarHBondContact N-O 3.44Å; L500-H526 PolarHBondContact O-N 3.36Å; L500-L528 HydrophobicContact CB-CD1 4.06Å; L500-L528 HydrophobicContact CB-CD2 3.99Å; L500-L528 HydrophobicContact CB-CG 3.96Å; L500-L528 HydrophobicContact CD1-CD1 4.48Å; L500-L528 HydrophobicContact CD1-CD2 4.22Å; L500-V534 HydrophobicContact CD1-CG1 3.87Å; L500-V534 HydrophobicContact CD1-CG2 4.3Å; L500-M536 HydrophobicContact CD1-CE 4.16Å
501	V	93	Very high	89.9	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.4	174.7	168.7	0	0	0	0	109.7	A487 E488 Y490 K522 P525	A487-V501 CarbonylContact C-O 3.52Å; A487-V501 WeakPolarHBondContact CA-O 3.37Å; A487-V501 WeakPolarHBondContact CB-O 3.27Å; E488-V501 HydrophobicContact CG-CB 3.78Å; E488-V501 HydrophobicContact CG-CG1 4.21Å; E488-V501 PolarHBondContact N-O 3.02Å; E488-V501 PolarHBondContact O-N 2.95Å; Y490-V501 HydrophobicContact CE1-CG2 4Å; V501-K522 HydrophobicContact CG1-CD 4.29Å; V501-K522 VanDerWaalsContact CG1-CE 3.49Å; V501-K522 HydrophobicContact CG1-CG 3.85Å; V501-P525 HydrophobicContact CG2-CB 3.88Å; V501-P525 HydrophobicContact CG2-CG 3.92Å
502	D	93.4	Very high	89.6	Confident	8 Å²	8	50 Å²	50	4%	0.043	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.7	168.3	-173.9	-48.7	0	0	0	108.8	G504 S505 G508 T509 K522 S523	D502-G504 PolarHBondContact O-N 3.4Å; D502-G504 PolarHBondContact OD1-N 3.3Å; D502-S505 VanDerWaalsContact OD1-CB 3.3Å; D502-S505 WeakPolarHBondContact OD1-CB 3.03Å; D502-S505 PolarHBondContact OD1-N 3.2Å; D502-S505 PolarHBondContact OD1-OG 2.94Å; D502-S505 VanDerWaalsContact OD1-OG 3.13Å; D502-S505 PolarHBondContact OD2-OG 2.72Å; D502-G508 WeakPolarHBondContact OD2-CA 3.3Å; D502-T509 WeakPolarHBondContact OD2-CB 3.29Å; D502-T509 PolarHBondContact OD2-N 2.99Å; D502-T509 PolarHBondContact OD2-OG1 2.8Å; D502-K522 CarbonylContact O-C 3.53Å; D502-K522 VanDerWaalsContact O-CA 3.28Å; D502-K522 WeakPolarHBondContact O-CA 3.36Å; D502-K522 WeakPolarHBondContact O-CG 3.48Å; D502-S523 PolarHBondContact N-OG 3.2Å; D502-S523 PolarHBondContact O-N 2.97Å
503	Q	91.6	Very high	89	Confident	55 Å²	55	51.8 Å²	51.8	26%	0.257	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-90	33.7	-173.7	-76.3	-80.6	50.7	0	0	113.3	F485 H486 E488 K522	F485-Q503 HydrophobicContact CD1-CB 4.09Å; F485-Q503 HydrophobicContact CD1-CG 4.18Å; F485-Q503 HydrophobicContact CE1-CB 4.1Å; F485-Q503 HydrophobicContact CE1-CG 3.67Å; F485-Q503 HydrophobicContact CE2-CG 4.14Å; F485-Q503 HydrophobicContact CG-CB 4.41Å; F485-Q503 HydrophobicContact CZ-CB 4.4Å; F485-Q503 HydrophobicContact CZ-CG 3.65Å; H486-Q503 PolarHBondContact O-N 2.49Å; E488-Q503 HydrophobicContact CG-CG 4.13Å; E488-Q503 PolarHBondContact OE1-NE2 3.43Å; E488-Q503 VanDerWaalsContact OE1-NE2 3.09Å; E488-Q503 PolarHBondContact OE2-NE2 3.3Å; Q503-K522 VanDerWaalsContact CD-NZ 3.28Å
504	G	86.4	Confident	88.7	Confident	22 Å²	22	49.9 Å²	49.9	23%	0.227	27%	0.273	C	S	.	.	S	Bend	trans	81.2	37.7	180	0	0	0	0	0	112.7	D502 K520 T521	D502-G504 PolarHBondContact O-N 3.4Å; D502-G504 PolarHBondContact OD1-N 3.3Å; G504-K520 WeakPolarHBondContact O-CA 3.37Å; G504-T521 WeakPolarHBondContact CA-O 3.47Å
505	S	90	Very high	88.4	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.007	26%	0.256	C	S	.	.			trans	-62.3	152.9	-175	76.6	0	0	0	0	113.3	H486 D502 N507 G508 P519 K520	H486-S505 VanDerWaalsContact CE1-CB 3.42Å; H486-S505 WeakPolarHBondContact CE1-CB 3.23Å; H486-S505 PolarHBondContact CE1-OG 3.27Å; H486-S505 WeakPolarHBondContact ND1-CB 3.42Å; D502-S505 VanDerWaalsContact OD1-CB 3.3Å; D502-S505 WeakPolarHBondContact OD1-CB 3.03Å; D502-S505 PolarHBondContact OD1-N 3.2Å; D502-S505 PolarHBondContact OD1-OG 2.94Å; D502-S505 VanDerWaalsContact OD1-OG 3.13Å; D502-S505 PolarHBondContact OD2-OG 2.72Å; S505-N507 VanDerWaalsContact C-N 3.3Å; S505-N507 PolarHBondContact O-N 2.8Å; S505-G508 WeakPolarHBondContact OG-CA 3.47Å; S505-G508 PolarHBondContact OG-N 2.81Å; S505-P519 WeakPolarHBondContact O-CA 3.36Å; S505-K520 PolarHBondContact O-N 3.24Å
506	Q	85.6	Confident	87.8	Confident	124 Å²	124	43.3 Å²	43.3	58%	0.579	24%	0.238	S	C	*	.	S	Bend	trans	-69.8	-27.3	-175.8	-63.9	-175.1	-4.1	0	0	113.3	S483 P519	S483-Q506 PolarHBondContact OG-N 3.49Å; Q506-P519 WeakPolarHBondContact O-CB 3.46Å
507	N	86.1	Confident	86.7	Confident	81 Å²	81	42.3 Å²	42.3	43%	0.433	24%	0.235	S	C	.	.	S	Bend	trans	-111.6	-10	-178.8	-73.3	-39.6	0	0	0	113.6	G481 S505 R515	G481-N507 PolarHBondContact O-ND2 3.4Å; S505-N507 VanDerWaalsContact C-N 3.3Å; S505-N507 PolarHBondContact O-N 2.8Å; N507-R515 PolarHBondContact O-NH2 3.35Å
508	G	87.3	Confident	85	Confident	5 Å²	5	48.4 Å²	48.4	5%	0.052	26%	0.261	C	S	.	.			trans	72.1	146.2	-177.1	0	0	0	0	0	113.5	D502 S505	D502-G508 WeakPolarHBondContact OD2-CA 3.3Å; S505-G508 WeakPolarHBondContact OG-CA 3.47Å; S505-G508 PolarHBondContact OG-N 2.81Å
509	T	91.3	Very high	83.6	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	28%	0.275	C	S	.	.			trans	-83.9	145.1	172.6	-52.3	0	0	0	0	110.9	L500 D502 I511 I516 V534 M536	L500-T509 HydrophobicContact CD2-CG2 4.09Å; D502-T509 WeakPolarHBondContact OD2-CB 3.29Å; D502-T509 PolarHBondContact OD2-N 2.99Å; D502-T509 PolarHBondContact OD2-OG1 2.8Å; T509-I511 HydrophobicContact CG2-CG1 4.49Å; T509-I516 PolarHBondContact O-N 2.69Å; T509-V534 HydrophobicContact CG2-CG1 3.57Å; T509-M536 HydrophobicContact CG2-CG 4.39Å
510	V	91.6	Very high	82.6	Confident	33 Å²	33	58.1 Å²	58.1	20%	0.2	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.6	176.6	179.3	0	0	0	0	108.7	G513 N514 R515 V534 K535	V510-G513 VanDerWaalsContact CG1-C 3.43Å; V510-N514 CarbonylContact C-O 3.54Å; V510-N514 WeakPolarHBondContact CA-O 3.49Å; V510-R515 HydrophobicContact CG2-CB 4.01Å; V510-R515 HydrophobicContact CG2-CG 3.94Å; V510-V534 CarbonylContact O-C 3.53Å; V510-V534 WeakPolarHBondContact O-CA 2.96Å; V510-K535 HydrophobicContact CB-CB 4.29Å; V510-K535 PolarHBondContact N-O 3.47Å; V510-K535 VanDerWaalsContact N-O 3.15Å; V510-K535 PolarHBondContact O-N 3.22Å
511	I	91.1	Very high	82	Confident	4 Å²	4	62 Å²	62	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.7	175.4	-58.2	-165.6	0	0	0	109.6	L500 T509 G513 N514 I516 L528 D532 E533 V534	L500-I511 HydrophobicContact CD1-CD1 4.21Å; L500-I511 HydrophobicContact CD2-CD1 4.36Å; T509-I511 HydrophobicContact CG2-CG1 4.49Å; I511-G513 PolarHBondContact O-N 3.08Å; I511-G513 VanDerWaalsContact O-N 3.13Å; I511-N514 PolarHBondContact N-O 3.04Å; I511-N514 WeakPolarHBondContact O-CA 3.35Å; I511-N514 WeakPolarHBondContact O-CB 3.32Å; I511-N514 PolarHBondContact O-N 3.28Å; I511-I516 HydrophobicContact CB-CD1 4.01Å; I511-I516 HydrophobicContact CD1-CD1 3.46Å; I511-I516 VanDerWaalsContact CD1-CD1 3.46Å; I511-I516 HydrophobicContact CG1-CD1 3.51Å; I511-I516 HydrophobicContact CG1-CG1 4.36Å; I511-L528 HydrophobicContact CD1-CD2 3.68Å; I511-D532 HydrophobicContact CG2-CB 4.08Å; I511-E533 CarbonylContact C-O 3.59Å; I511-E533 WeakPolarHBondContact CA-O 3.48Å; I511-V534 HydrophobicContact CD1-CG1 4.37Å; I511-V534 HydrophobicContact CD1-CG2 3.83Å; I511-V534 HydrophobicContact CG1-CB 4.35Å; I511-V534 HydrophobicContact CG1-CG1 4.08Å; I511-V534 HydrophobicContact CG1-CG2 3.92Å; I511-V534 HydrophobicContact CG2-CG2 4.49Å
512	N	86.6	Confident	81.7	Confident	82 Å²	82	67 Å²	67	44%	0.439	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	37.5	-179.8	-60.4	-28	0	0	0	113	N514 D532 E533	N512-N514 PolarHBondContact O-N 3.45Å; N512-D532 PolarHBondContact ND2-OD1 2.67Å; N512-E533 PolarHBondContact N-O 3.15Å; N512-E533 PolarHBondContact OD1-N 2.89Å
513	G	79.6	Confident	81.4	Confident	68 Å²	68	66.9 Å²	66.9	70%	0.701	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-12.8	-175.1	0	0	0	0	0	115.8	V510 I511	V510-G513 VanDerWaalsContact CG1-C 3.43Å; I511-G513 PolarHBondContact O-N 3.08Å; I511-G513 VanDerWaalsContact O-N 3.13Å
514	N	80.9	Confident	81.2	Confident	120 Å²	120	71.8 Å²	71.8	64%	0.642	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	124.3	177	-62.3	-54.4	0	0	0	110.7	V510 I511 N512	V510-N514 CarbonylContact C-O 3.54Å; V510-N514 WeakPolarHBondContact CA-O 3.49Å; I511-N514 PolarHBondContact N-O 3.04Å; I511-N514 WeakPolarHBondContact O-CA 3.35Å; I511-N514 WeakPolarHBondContact O-CB 3.32Å; I511-N514 PolarHBondContact O-N 3.28Å; N512-N514 PolarHBondContact O-N 3.45Å
515	R	80.6	Confident	81.5	Confident	136 Å²	136	74 Å²	74	51%	0.513	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.3	178.2	-168.2	-176.9	-160.2	-179.3	6.5	109.9	N507 V510	N507-R515 PolarHBondContact O-NH2 3.35Å; V510-R515 HydrophobicContact CG2-CB 4.01Å; V510-R515 HydrophobicContact CG2-CG 3.94Å
516	I	72.9	Confident	81.4	Confident	37 Å²	37	77.8 Å²	77.8	19%	0.19	40%	0.404	C	S	.	.			trans	-72.7	-41.6	-168.6	-66.1	-178.4	0	0	0	112.1	T509 I511 H526	T509-I516 PolarHBondContact O-N 2.69Å; I511-I516 HydrophobicContact CB-CD1 4.01Å; I511-I516 HydrophobicContact CD1-CD1 3.46Å; I511-I516 VanDerWaalsContact CD1-CD1 3.46Å; I511-I516 HydrophobicContact CG1-CD1 3.51Å; I511-I516 HydrophobicContact CG1-CG1 4.36Å; I516-H526 HydrophobicContact CD1-CB 3.79Å
517	L	62.7	Low	81.7	Confident	72 Å²	72	74 Å²	74	38%	0.377	39%	0.393	S	S	.	.	S	Bend	trans	-149.7	179.5	171.4	-139	79.8	0	0	0	113.4	T521	L517-T521 HydrophobicContact CD2-CG2 4.15Å
518	Q	54.9	Low	82	Confident	154 Å²	154	70.5 Å²	70.5	72%	0.72	38%	0.375	S	S	*	.			trans	-82	153.7	179.5	-60.2	-172.3	23.9	0	0	111.7
519	P	64.1	Low	82.2	Confident	47 Å²	47	76.5 Å²	76.5	31%	0.305	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	145.8	176.5	-32.2	38.1	0	0	0	114.9	S505 Q506 T521	S505-P519 WeakPolarHBondContact O-CA 3.36Å; Q506-P519 WeakPolarHBondContact O-CB 3.46Å; P519-T521 VanDerWaalsContact C-N 3.32Å; P519-T521 PolarHBondContact O-N 3.04Å
520	K	71.1	Confident	82.1	Confident	168 Å²	168	80.7 Å²	80.7	73%	0.73	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	13.3	170.3	-47.1	176.3	-176.2	177.5	0	116.7	G504 S505	G504-K520 WeakPolarHBondContact O-CA 3.37Å; S505-K520 PolarHBondContact O-N 3.24Å
521	T	81.1	Confident	82	Confident	83 Å²	83	80.6 Å²	80.6	51%	0.509	43%	0.428	S	S	.	.	S	Bend	trans	-126.3	134.4	172.6	-50.5	0	0	0	0	109.5	G504 L517 P519 S523	G504-T521 WeakPolarHBondContact CA-O 3.47Å; L517-T521 HydrophobicContact CD2-CG2 4.15Å; P519-T521 VanDerWaalsContact C-N 3.32Å; P519-T521 PolarHBondContact O-N 3.04Å; T521-S523 PolarHBondContact O-N 3.33Å
522	K	87.6	Confident	82.1	Confident	105 Å²	105	81 Å²	81	46%	0.457	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-58.6	135.5	175.3	-174.5	-173.7	173.7	90.2	0	109.3	E488 V501 D502 Q503	E488-K522 IonicContact OE1-NZ 2.69Å; E488-K522 PolarHBondContact OE1-NZ 2.7Å; V501-K522 HydrophobicContact CG1-CD 4.29Å; V501-K522 VanDerWaalsContact CG1-CE 3.49Å; V501-K522 HydrophobicContact CG1-CG 3.85Å; D502-K522 CarbonylContact O-C 3.53Å; D502-K522 VanDerWaalsContact O-CA 3.28Å; D502-K522 WeakPolarHBondContact O-CA 3.36Å; D502-K522 WeakPolarHBondContact O-CG 3.48Å; Q503-K522 VanDerWaalsContact CD-NZ 3.28Å
523	S	87.2	Confident	82.4	Confident	7 Å²	7	81.6 Å²	81.6	5%	0.049	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-77.4	160.6	176.7	77.2	0	0	0	0	112.2	D502 T521	D502-S523 PolarHBondContact N-OG 3.2Å; D502-S523 PolarHBondContact O-N 2.97Å; T521-S523 PolarHBondContact O-N 3.33Å
524	E	87.1	Confident	83	Confident	157 Å²	157	78.4 Å²	78.4	73%	0.734	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-63.6	153.1	157.4	-64.8	175.2	169	0	0	109.5	H526	E524-H526 PolarHBondContact O-N 3.41Å
525	P	91.3	Very high	83.6	Confident	69 Å²	69	77.2 Å²	77.2	45%	0.448	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-64	129.1	175.1	-21	33.7	0	0	0	112	M499 V501	M499-P525 HydrophobicContact CB-CB 4.24Å; M499-P525 HydrophobicContact CE-CB 3.63Å; V501-P525 HydrophobicContact CG2-CB 3.88Å; V501-P525 HydrophobicContact CG2-CG 3.92Å
526	H	89.5	Confident	84.2	Confident	81 Å²	81	70.7 Å²	70.7	38%	0.375	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.7	178	-160.4	80.1	0	0	0	110.4	M499 L500 I516 E524 L528	M499-H526 CarbonylContact C-O 3.37Å; M499-H526 WeakPolarHBondContact CA-O 3.34Å; L500-H526 PolarHBondContact N-O 3.44Å; L500-H526 PolarHBondContact O-N 3.36Å; I516-H526 HydrophobicContact CD1-CB 3.79Å; E524-H526 PolarHBondContact O-N 3.41Å; H526-L528 PolarHBondContact O-N 2.94Å
527	A	91.9	Very high	85	Confident	44 Å²	44	69.9 Å²	69.9	36%	0.364	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	124.4	175.6	0	0	0	0	0	110.1	Y498 M499	Y498-A527 WeakPolarHBondContact O-CA 3.42Å; M499-A527 HydrophobicContact CE-CB 4.15Å; M499-A527 HydrophobicContact SD-CB 3.8Å
528	L	92	Very high	86.2	Confident	7 Å²	7	72.1 Å²	72.1	4%	0.037	37%	0.371	C	S	.	.			trans	-83.8	143	173.4	-67.3	174.1	0	0	0	110.3	V489 Y498 L500 I511 H526 V534 F543 I545	V489-L528 HydrophobicContact CG1-CD1 3.89Å; V489-L528 HydrophobicContact CG2-CD1 4.17Å; Y498-L528 PolarHBondContact O-N 3.1Å; L500-L528 HydrophobicContact CB-CD1 4.06Å; L500-L528 HydrophobicContact CB-CD2 3.99Å; L500-L528 HydrophobicContact CB-CG 3.96Å; L500-L528 HydrophobicContact CD1-CD1 4.48Å; L500-L528 HydrophobicContact CD1-CD2 4.22Å; I511-L528 HydrophobicContact CD1-CD2 3.68Å; H526-L528 PolarHBondContact O-N 2.94Å; L528-V534 HydrophobicContact CD2-CG2 4.15Å; L528-F543 HydrophobicContact CD1-CD1 3.63Å; L528-F543 HydrophobicContact CD1-CE1 3.97Å; L528-F543 HydrophobicContact CD1-CG 4.41Å; L528-I545 HydrophobicContact CB-CD1 4.19Å; L528-I545 VanDerWaalsContact O-CD1 3.24Å; L528-I545 WeakPolarHBondContact O-CD1 3.04Å
529	M	90.3	Very high	88	Confident	132 Å²	132	64.8 Å²	64.8	65%	0.65	34%	0.336	S	S	*	.			trans	-115.4	165.2	170.7	-60.6	-151.3	-51.9	0	0	111.9	G531 D532	M529-G531 PolarHBondContact O-N 3.47Å; M529-D532 PolarHBondContact N-OD2 2.91Å; M529-D532 PolarHBondContact O-N 2.77Å
530	H	90.2	Very high	89.5	Confident	88 Å²	88	63.6 Å²	63.6	41%	0.407	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	121.9	173.3	-178.4	107.2	0	0	0	111	H544 I545 H546 C552	H530-H544 AromaticContact CD2-ND1 3.76Å; H530-H544 AromaticContact CE1-CG 3.97Å; H530-H544 AromaticContact CE1-ND1 3.42Å; H530-H544 PolarHBondContact CE1-ND1 2.67Å; H530-H544 AromaticContact NE2-ND1 3.06Å; H530-H544 PolarHBondContact NE2-ND1 3.34Å; H530-I545 HydrophobicContact CB-CB 4.44Å; H530-I545 PolarHBondContact ND1-N 2.8Å; H530-I545 PolarHBondContact ND1-O 3.02Å; H530-H546 AromaticContact CE1-CE1 3.58Å; H530-H546 AromaticContact CE1-NE2 3.37Å; H530-H546 PolarHBondContact CE1-NE2 2.98Å; H530-H546 AromaticContact ND1-NE2 3.95Å; H530-C552 VanDerWaalsContact CE1-SG 3.5Å
531	G	88.8	Confident	90.5	Very high	31 Å²	31	55.6 Å²	55.6	32%	0.32	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	6.5	178.5	0	0	0	0	0	114.7	M529 E533 F543	M529-G531 PolarHBondContact O-N 3.47Å; G531-E533 PolarHBondContact O-N 2.83Å; G531-F543 PolarHBondContact N-O 3.38Å
532	D	93	Very high	91.1	Very high	12 Å²	12	52.1 Å²	52.1	6%	0.064	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	125.9	-179.9	-81.4	-12.1	0	0	0	112.2	I511 N512 M529 S542 F543	I511-D532 HydrophobicContact CG2-CB 4.08Å; N512-D532 PolarHBondContact ND2-OD1 2.67Å; M529-D532 PolarHBondContact N-OD2 2.91Å; M529-D532 PolarHBondContact O-N 2.77Å; D532-S542 WeakPolarHBondContact O-CA 3.41Å; D532-F543 PolarHBondContact N-O 3.49Å; D532-F543 PolarHBondContact O-N 3.39Å
533	E	93.5	Very high	91.4	Very high	96 Å²	96	47.1 Å²	47.1	45%	0.449	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	108.8	173.3	-71.2	-164.8	161.2	0	0	110.9	I511 N512 G531 V540 L541	I511-E533 CarbonylContact C-O 3.59Å; I511-E533 WeakPolarHBondContact CA-O 3.48Å; N512-E533 PolarHBondContact N-O 3.15Å; N512-E533 PolarHBondContact OD1-N 2.89Å; G531-E533 PolarHBondContact O-N 2.83Å; E533-V540 HydrophobicContact CB-CG1 4.36Å; E533-L541 CarbonylContact C-O 3.58Å; E533-L541 WeakPolarHBondContact CA-O 3.28Å
534	V	93.3	Very high	91.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.1	178.5	-172.2	0	0	0	0	110	L500 T509 V510 I511 L528 M536 L541 F543	L500-V534 HydrophobicContact CD1-CG1 3.87Å; L500-V534 HydrophobicContact CD1-CG2 4.3Å; T509-V534 HydrophobicContact CG2-CG1 3.57Å; V510-V534 CarbonylContact O-C 3.53Å; V510-V534 WeakPolarHBondContact O-CA 2.96Å; I511-V534 HydrophobicContact CD1-CG1 4.37Å; I511-V534 HydrophobicContact CD1-CG2 3.83Å; I511-V534 HydrophobicContact CG1-CB 4.35Å; I511-V534 HydrophobicContact CG1-CG1 4.08Å; I511-V534 HydrophobicContact CG1-CG2 3.92Å; I511-V534 HydrophobicContact CG2-CG2 4.49Å; L528-V534 HydrophobicContact CD2-CG2 4.15Å; V534-M536 HydrophobicContact CG1-CE 3.75Å; V534-M536 HydrophobicContact CG1-CG 4.34Å; V534-L541 PolarHBondContact N-O 3.05Å; V534-L541 PolarHBondContact O-N 3.38Å; V534-F543 HydrophobicContact CB-CD2 3.95Å; V534-F543 HydrophobicContact CB-CE2 3.62Å; V534-F543 HydrophobicContact CB-CZ 4.49Å; V534-F543 HydrophobicContact CG1-CE2 4.35Å; V534-F543 HydrophobicContact CG2-CD2 3.42Å; V534-F543 VanDerWaalsContact CG2-CD2 3.42Å; V534-F543 HydrophobicContact CG2-CE2 3.49Å; V534-F543 VanDerWaalsContact CG2-CE2 3.49Å; V534-F543 HydrophobicContact CG2-CG 4.17Å; V534-F543 HydrophobicContact CG2-CZ 4.26Å
535	K	93.1	Very high	91.8	Very high	95 Å²	95	41.9 Å²	41.9	41%	0.413	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127	175.8	179.7	176.7	179.8	177.9	0	111.4	V510 G537 T539 V540	V510-K535 HydrophobicContact CB-CB 4.29Å; V510-K535 PolarHBondContact N-O 3.47Å; V510-K535 VanDerWaalsContact N-O 3.15Å; V510-K535 PolarHBondContact O-N 3.22Å; K535-G537 WeakPolarHBondContact CE-O 3.4Å; K535-T539 WeakPolarHBondContact CA-O 3.25Å; K535-T539 WeakPolarHBondContact CG-O 3.44Å; K535-V540 HydrophobicContact CB-CG2 4.15Å; K535-V540 HydrophobicContact CD-CG2 4.15Å; K535-V540 HydrophobicContact CG-CG2 4.01Å
536	M	92.6	Very high	91.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	108.5	178.1	-61.9	-176.5	-173.1	0	0	108.4	F465 L477 V482 H486 A487 L500 T509 V534 E538 T539	F465-M536 HydrophobicContact CB-CE 4.1Å; F465-M536 HydrophobicContact CB-SD 3.76Å; F465-M536 HydrophobicContact CD1-CE 3.82Å; F465-M536 HydrophobicContact CD1-SD 3.83Å; F465-M536 HydrophobicContact CD2-CE 4.32Å; F465-M536 HydrophobicContact CE1-CE 4.35Å; F465-M536 HydrophobicContact CG-CE 3.82Å; F465-M536 HydrophobicContact CG-SD 3.97Å; L477-M536 HydrophobicContact CD1-CB 4.05Å; L477-M536 HydrophobicContact CD1-SD 3.93Å; V482-M536 HydrophobicContact CG2-CB 4.29Å; V482-M536 WeakPolarHBondContact CG2-O 3.22Å; H486-M536 WeakPolarHBondContact NE2-CB 3.47Å; H486-M536 WeakPolarHBondContact NE2-CG 3.38Å; A487-M536 HydrophobicContact CB-CE 3.8Å; A487-M536 HydrophobicContact CB-SD 4.48Å; L500-M536 HydrophobicContact CD1-CE 4.16Å; T509-M536 HydrophobicContact CG2-CG 4.39Å; V534-M536 HydrophobicContact CG1-CE 3.75Å; V534-M536 HydrophobicContact CG1-CG 4.34Å; M536-E538 PolarHBondContact O-N 2.8Å; M536-T539 PolarHBondContact N-O 2.84Å; M536-T539 PolarHBondContact O-N 2.7Å
537	G	88.9	Confident	91.1	Very high	19 Å²	19	39.3 Å²	39.3	20%	0.196	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	-116	-174.9	0	0	0	0	0	112.2	K535	K535-G537 WeakPolarHBondContact CE-O 3.4Å
538	E	89.4	Confident	90.3	Very high	119 Å²	119	39.1 Å²	39.1	56%	0.556	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-20.9	172.5	-69.7	-175.5	-143.7	0	0	113.1	P447 E479 M536	P447-E538 HydrophobicContact CG-CB 3.91Å; E479-E538 PolarHBondContact OE2-N 3.09Å; M536-E538 PolarHBondContact O-N 2.8Å
539	T	92.8	Very high	89.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	137	173.1	-79.8	0	0	0	0	112.5	R445 S446 L477 E479 K535 M536 L541	R445-T539 CarbonylContact O-C 3.56Å; R445-T539 VanDerWaalsContact O-CA 3.27Å; R445-T539 WeakPolarHBondContact O-CA 3.41Å; S446-T539 WeakPolarHBondContact CB-OG1 3.36Å; S446-T539 PolarHBondContact OG-OG1 2.82Å; L477-T539 HydrophobicContact CD1-CG2 4.41Å; L477-T539 HydrophobicContact CD2-CG2 3.88Å; E479-T539 WeakPolarHBondContact OE1-CB 3.36Å; E479-T539 PolarHBondContact OE1-N 2.84Å; E479-T539 PolarHBondContact OE1-OG1 3Å; E479-T539 PolarHBondContact OE2-N 3.23Å; K535-T539 WeakPolarHBondContact CA-O 3.25Å; K535-T539 WeakPolarHBondContact CG-O 3.44Å; M536-T539 PolarHBondContact N-O 2.84Å; M536-T539 PolarHBondContact O-N 2.7Å; T539-L541 HydrophobicContact CG2-CD1 4.37Å; T539-L541 HydrophobicContact CG2-CD2 3.47Å; T539-L541 VanDerWaalsContact CG2-CD2 3.47Å; T539-L541 HydrophobicContact CG2-CG 3.65Å
540	V	94	Very high	88.9	Confident	22 Å²	22	43 Å²	43	13%	0.133	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.9	166.7	-172.9	0	0	0	0	108.4	V444 R445 E533 K535	V444-V540 HydrophobicContact CB-CB 4.48Å; V444-V540 HydrophobicContact CB-CG1 4.35Å; V444-V540 PolarHBondContact N-O 3.23Å; R445-V540 HydrophobicContact CB-CB 4.14Å; R445-V540 HydrophobicContact CB-CG2 4.25Å; R445-V540 PolarHBondContact N-O 2.96Å; R445-V540 VanDerWaalsContact N-O 3.08Å; R445-V540 PolarHBondContact O-N 3.47Å; E533-V540 HydrophobicContact CB-CG1 4.36Å; K535-V540 HydrophobicContact CB-CG2 4.15Å; K535-V540 HydrophobicContact CD-CG2 4.15Å; K535-V540 HydrophobicContact CG-CG2 4.01Å
541	L	94	Very high	88.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.6	178.3	-55.9	179.4	0	0	0	108.8	V441 T442 V443 F465 V475 E533 V534 T539 F543	V441-L541 HydrophobicContact CG1-CB 3.84Å; V441-L541 HydrophobicContact CG1-CD1 3.9Å; V441-L541 HydrophobicContact CG1-CG 4.29Å; T442-L541 CarbonylContact O-C 3.57Å; T442-L541 WeakPolarHBondContact O-CA 3.21Å; V443-L541 HydrophobicContact CB-CD2 4.26Å; V443-L541 HydrophobicContact CG1-CD2 4.45Å; V443-L541 HydrophobicContact CG2-CD2 3.81Å; F465-L541 HydrophobicContact CD1-CD1 4.07Å; F465-L541 HydrophobicContact CE1-CD1 3.7Å; V475-L541 HydrophobicContact CG1-CD1 4.44Å; E533-L541 CarbonylContact C-O 3.58Å; E533-L541 WeakPolarHBondContact CA-O 3.28Å; V534-L541 PolarHBondContact N-O 3.05Å; V534-L541 PolarHBondContact O-N 3.38Å; T539-L541 HydrophobicContact CG2-CD1 4.37Å; T539-L541 HydrophobicContact CG2-CD2 3.47Å; T539-L541 VanDerWaalsContact CG2-CD2 3.47Å; T539-L541 HydrophobicContact CG2-CG 3.65Å; L541-F543 HydrophobicContact CB-CD2 4.27Å; L541-F543 HydrophobicContact CB-CE2 3.78Å; L541-F543 HydrophobicContact CD1-CE2 4.25Å
542	S	93.8	Very high	88.4	Confident	10 Å²	10	42.4 Å²	42.4	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.1	167.5	-170.6	0	0	0	0	110	V441 T442 D532 H544	V441-S542 CarbonylContact C-O 3.53Å; V441-S542 WeakPolarHBondContact CA-O 3.3Å; T442-S542 PolarHBondContact N-O 3.09Å; T442-S542 PolarHBondContact O-N 3.48Å; D532-S542 WeakPolarHBondContact O-CA 3.41Å; S542-H544 PolarHBondContact OG-NE2 2.91Å
543	F	93.1	Very high	87.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	109.9	-176.5	-78.2	-115.9	0	0	0	109.9	V439 V441 I457 F465 V489 L528 G531 D532 V534 L541	V439-F543 HydrophobicContact CG1-CB 4.07Å; V439-F543 HydrophobicContact CG1-CD1 3.85Å; V439-F543 HydrophobicContact CG1-CG 4.37Å; V441-F543 HydrophobicContact CG1-CD2 4.09Å; V441-F543 HydrophobicContact CG1-CE1 4.38Å; V441-F543 HydrophobicContact CG1-CE2 3.78Å; V441-F543 HydrophobicContact CG1-CZ 3.95Å; V441-F543 HydrophobicContact CG2-CD1 3.67Å; V441-F543 HydrophobicContact CG2-CD2 4.45Å; V441-F543 HydrophobicContact CG2-CE1 3.65Å; V441-F543 HydrophobicContact CG2-CE2 4.43Å; V441-F543 HydrophobicContact CG2-CG 4.09Å; V441-F543 HydrophobicContact CG2-CZ 4.06Å; I457-F543 HydrophobicContact CD1-CE1 4.36Å; F465-F543 AromaticContact CE1-CZ 3.84Å; F465-F543 HydrophobicContact CE1-CZ 3.84Å; F465-F543 HydrophobicContact CE2-CE1 4.5Å; F465-F543 HydrophobicContact CE2-CZ 4.33Å; F465-F543 AromaticContact CZ-CE1 3.85Å; F465-F543 HydrophobicContact CZ-CE1 3.85Å; F465-F543 AromaticContact CZ-CZ 3.5Å; F465-F543 HydrophobicContact CZ-CZ 3.5Å; F465-F543 VanDerWaalsContact CZ-CZ 3.5Å; V489-F543 HydrophobicContact CG2-CE1 4.14Å; L528-F543 HydrophobicContact CD1-CD1 3.63Å; L528-F543 HydrophobicContact CD1-CE1 3.97Å; L528-F543 HydrophobicContact CD1-CG 4.41Å; G531-F543 PolarHBondContact N-O 3.38Å; D532-F543 PolarHBondContact N-O 3.49Å; D532-F543 PolarHBondContact O-N 3.39Å; V534-F543 HydrophobicContact CB-CD2 3.95Å; V534-F543 HydrophobicContact CB-CE2 3.62Å; V534-F543 HydrophobicContact CB-CZ 4.49Å; V534-F543 HydrophobicContact CG1-CE2 4.35Å; V534-F543 HydrophobicContact CG2-CD2 3.42Å; V534-F543 VanDerWaalsContact CG2-CD2 3.42Å; V534-F543 HydrophobicContact CG2-CE2 3.49Å; V534-F543 VanDerWaalsContact CG2-CE2 3.49Å; V534-F543 HydrophobicContact CG2-CG 4.17Å; V534-F543 HydrophobicContact CG2-CZ 4.26Å; L541-F543 HydrophobicContact CB-CD2 4.27Å; L541-F543 HydrophobicContact CB-CE2 3.78Å; L541-F543 HydrophobicContact CD1-CE2 4.25Å
544	H	91.3	Very high	86.9	Confident	21 Å²	21	43.8 Å²	43.8	10%	0.097	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.1	179	-66.6	-79.8	0	0	0	110.4	R440 H530 S542 C552 C555	R440-H544 HydrophobicContact CB-CB 4.32Å; R440-H544 PolarHBondContact N-O 3.08Å; R440-H544 PolarHBondContact O-N 3.14Å; H530-H544 AromaticContact CD2-ND1 3.76Å; H530-H544 AromaticContact CE1-CG 3.97Å; H530-H544 AromaticContact CE1-ND1 3.42Å; H530-H544 PolarHBondContact CE1-ND1 2.67Å; H530-H544 AromaticContact NE2-ND1 3.06Å; H530-H544 PolarHBondContact NE2-ND1 3.34Å; S542-H544 PolarHBondContact OG-NE2 2.91Å; H544-C552 PolarHBondContact ND1-SG 3.22Å; H544-C552 VanDerWaalsContact ND1-SG 3.42Å; H544-C555 WeakPolarHBondContact CB-SG 3.35Å
545	I	91.1	Very high	86.4	Confident	33 Å²	33	43.9 Å²	43.9	17%	0.169	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	132.3	179.7	-52.4	179.6	0	0	0	109	P437 V439 Y498 L528 H530	P437-I545 HydrophobicContact CB-CG2 3.85Å; P437-I545 HydrophobicContact CG-CG2 4.29Å; V439-I545 HydrophobicContact CG1-CG1 4.06Å; V439-I545 HydrophobicContact CG2-CG1 4.19Å; Y498-I545 HydrophobicContact CD2-CG2 4.43Å; L528-I545 HydrophobicContact CB-CD1 4.19Å; L528-I545 VanDerWaalsContact O-CD1 3.24Å; L528-I545 WeakPolarHBondContact O-CD1 3.04Å; H530-I545 HydrophobicContact CB-CB 4.44Å; H530-I545 PolarHBondContact ND1-N 2.8Å; H530-I545 PolarHBondContact ND1-O 3.02Å
546	H	84.9	Confident	85.8	Confident	23 Å²	23	43.3 Å²	43.3	11%	0.106	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	138.5	-177.3	-77.5	-75.2	0	0	0	112.4	P437 C438 H530 D550 T551 C552 C555	P437-H546 CarbonylContact C-O 3.58Å; P437-H546 WeakPolarHBondContact CA-O 3.41Å; P437-H546 VanDerWaalsContact CB-O 3.27Å; P437-H546 WeakPolarHBondContact CB-O 3.4Å; C438-H546 PolarHBondContact N-O 2.9Å; C438-H546 PolarHBondContact O-N 3.3Å; H530-H546 AromaticContact CE1-CE1 3.58Å; H530-H546 AromaticContact CE1-NE2 3.37Å; H530-H546 PolarHBondContact CE1-NE2 2.98Å; H530-H546 AromaticContact ND1-NE2 3.95Å; H546-D550 HydrophobicContact CB-CB 4.34Å; H546-D550 WeakPolarHBondContact CB-O 3.13Å; H546-D550 PolarHBondContact CD2-O 3.26Å; H546-D550 PolarHBondContact ND1-O 2.77Å; H546-T551 VanDerWaalsContact CE1-C 3.5Å; H546-C552 PolarHBondContact CE1-N 2.89Å; H546-C552 PolarHBondContact NE2-N 3.02Å; H546-C552 VanDerWaalsContact NE2-N 3.18Å; H546-C555 PolarHBondContact NE2-SG 3.16Å; H546-C555 VanDerWaalsContact NE2-SG 3.39Å
547	S	81.9	Confident	84.8	Confident	73 Å²	73	46 Å²	46	51%	0.51	28%	0.278	S	S	.	.	S	Bend	trans	-75.9	130.7	171.2	-62.9	0	0	0	0	110.6	T549 D550	S547-T549 PolarHBondContact O-N 3.4Å; S547-D550 PolarHBondContact O-N 3.33Å
548	G	75.1	Confident	84.1	Confident	40 Å²	40	47.6 Å²	47.6	41%	0.412	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	-123.1	178.5	0	0	0	0	0	113.2
549	T	72.8	Confident	83.3	Confident	121 Å²	121	45.8 Å²	45.8	74%	0.742	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-17.7	-173.8	43.6	0	0	0	0	115.2	R440 S547	R440-T549 PolarHBondContact NH1-O 3.29Å; S547-T549 PolarHBondContact O-N 3.4Å
550	D	80.4	Confident	82.3	Confident	99 Å²	99	46.7 Å²	46.7	53%	0.529	29%	0.291	S	S	.	.			trans	-55.4	145.4	-162.8	-70.6	-7.1	0	0	0	115.1	R440 H546 S547	R440-D550 PolarHBondContact NH1-O 2.89Å; H546-D550 HydrophobicContact CB-CB 4.34Å; H546-D550 WeakPolarHBondContact CB-O 3.13Å; H546-D550 PolarHBondContact CD2-O 3.26Å; H546-D550 PolarHBondContact ND1-O 2.77Å; S547-D550 PolarHBondContact O-N 3.33Å
551	T	84.3	Confident	81.4	Confident	75 Å²	75	49.9 Å²	49.9	46%	0.46	31%	0.305	S	S	.	.			trans	-131	138.7	178.3	45.8	0	0	0	0	111.6	R440 H546 C555	R440-T551 VanDerWaalsContact CZ-CG2 3.44Å; R440-T551 VanDerWaalsContact NH1-CG2 3.34Å; H546-T551 VanDerWaalsContact CE1-C 3.5Å; T551-C555 HydrophobicContact CG2-CB 4.18Å
552	C	82.9	Confident	80	Confident	32 Å²	32	52 Å²	52	22%	0.216	32%	0.322	C	S	.	.			trans	-94.1	167.2	162.2	68.3	0	0	0	0	111	H530 H544 H546 G554 C555	H530-C552 VanDerWaalsContact CE1-SG 3.5Å; H544-C552 PolarHBondContact ND1-SG 3.22Å; H544-C552 VanDerWaalsContact ND1-SG 3.42Å; H546-C552 PolarHBondContact CE1-N 2.89Å; H546-C552 PolarHBondContact NE2-N 3.02Å; H546-C552 VanDerWaalsContact NE2-N 3.18Å; C552-G554 PolarHBondContact O-N 3.13Å; C552-G554 VanDerWaalsContact O-N 3.09Å; C552-C555 WeakPolarHBondContact O-CB 3.05Å; C552-C555 PolarHBondContact O-N 3.22Å; C552-C555 VanDerWaalsContact SG-SG 3.7Å
553	D	79.4	Confident	78.9	Confident	114 Å²	114	57.5 Å²	57.5	61%	0.61	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-52.5	-33.1	175.9	-53.7	-38	0	0	0	113.1	C555 E556 Q559	D553-C555 VanDerWaalsContact C-N 3.27Å; D553-C555 PolarHBondContact O-N 2.88Å; D553-E556 PolarHBondContact O-N 2.74Å; D553-Q559 PolarHBondContact OD1-NE2 3.38Å
554	G	76.4	Confident	78	Confident	24 Å²	24	59.2 Å²	59.2	25%	0.247	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-71.6	-13	176.5	0	0	0	0	0	115.1	C552 V560	C552-G554 PolarHBondContact O-N 3.13Å; C552-G554 VanDerWaalsContact O-N 3.09Å; G554-V560 WeakPolarHBondContact O-CG2 3.3Å
555	C	81.6	Confident	77.1	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.014	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-89.6	-23.1	174.3	-72.7	0	0	0	0	113.7	R440 H544 H546 T551 C552 D553 P557	R440-C555 VanDerWaalsContact CB-SG 3.6Å; R440-C555 VanDerWaalsContact CD-SG 3.58Å; H544-C555 WeakPolarHBondContact CB-SG 3.35Å; H546-C555 PolarHBondContact NE2-SG 3.16Å; H546-C555 VanDerWaalsContact NE2-SG 3.39Å; T551-C555 HydrophobicContact CG2-CB 4.18Å; C552-C555 WeakPolarHBondContact O-CB 3.05Å; C552-C555 PolarHBondContact O-N 3.22Å; C552-C555 VanDerWaalsContact SG-SG 3.7Å; D553-C555 VanDerWaalsContact C-N 3.27Å; D553-C555 PolarHBondContact O-N 2.88Å; C555-P557 VanDerWaalsContact O-CD 3.27Å; C555-P557 WeakPolarHBondContact O-CD 2.97Å
556	E	80.5	Confident	76.1	Confident	83 Å²	83	66.3 Å²	66.3	39%	0.388	39%	0.394	S	S	.	.			trans	-78.7	114.3	-173.1	-75	-172.7	-164.9	0	0	111.5	D553 G558 Q559 V560	D553-E556 PolarHBondContact O-N 2.74Å; E556-G558 PolarHBondContact O-N 3.37Å; E556-G558 VanDerWaalsContact O-N 3.08Å; E556-Q559 HydrophobicContact CB-CB 4.08Å; E556-Q559 HydrophobicContact CB-CG 3.99Å; E556-Q559 VanDerWaalsContact CD-NE2 3.29Å; E556-Q559 PolarHBondContact O-N 3.12Å; E556-Q559 WeakPolarHBondContact OE2-CG 3.41Å; E556-Q559 PolarHBondContact OE2-NE2 3.31Å; E556-V560 WeakPolarHBondContact O-CG2 3.36Å; E556-V560 PolarHBondContact O-N 3.3Å
557	P	72.4	Confident	75.1	Confident	57 Å²	57	69.6 Å²	69.6	37%	0.37	41%	0.409	S	S	.	.	H	α-helix	trans	-59.4	-31.3	-173.9	-26	36.1	0	0	0	113.5	L454 C555 M561	L454-P557 HydrophobicContact CB-CG 4.39Å; C555-P557 VanDerWaalsContact O-CD 3.27Å; C555-P557 WeakPolarHBondContact O-CD 2.97Å; P557-M561 HydrophobicContact CB-CE 4.43Å; P557-M561 VanDerWaalsContact O-CB 3.27Å; P557-M561 WeakPolarHBondContact O-CB 3.12Å; P557-M561 WeakPolarHBondContact O-CE 2.97Å; P557-M561 VanDerWaalsContact O-CG 3.27Å; P557-M561 WeakPolarHBondContact O-CG 3.44Å; P557-M561 PolarHBondContact O-N 2.88Å
558	G	73.9	Confident	74.2	Confident	51 Å²	51	73.9 Å²	73.9	53%	0.526	41%	0.414	S	S	.	.	H	α-helix	trans	-65.5	-47	174.6	0	0	0	0	0	113.2	E556 A562	E556-G558 PolarHBondContact O-N 3.37Å; E556-G558 VanDerWaalsContact O-N 3.08Å; G558-A562 VanDerWaalsContact O-CB 3.3Å; G558-A562 WeakPolarHBondContact O-CB 3.31Å; G558-A562 PolarHBondContact O-N 3.46Å
559	Q	72.3	Confident	73.3	Confident	81 Å²	81	81.6 Å²	81.6	38%	0.379	43%	0.431	S	S	.	.	H	α-helix	trans	-67.1	-44.9	176.6	-64.8	-158.5	56.9	0	0	111.3	D553 E556 A562 H563	D553-Q559 PolarHBondContact OD1-NE2 3.38Å; E556-Q559 HydrophobicContact CB-CB 4.08Å; E556-Q559 HydrophobicContact CB-CG 3.99Å; E556-Q559 VanDerWaalsContact CD-NE2 3.29Å; E556-Q559 PolarHBondContact O-N 3.12Å; E556-Q559 WeakPolarHBondContact OE2-CG 3.41Å; E556-Q559 PolarHBondContact OE2-NE2 3.31Å; Q559-A562 WeakPolarHBondContact O-CB 3.14Å; Q559-A562 PolarHBondContact O-N 3.08Å; Q559-H563 WeakPolarHBondContact O-CB 3.21Å; Q559-H563 PolarHBondContact O-N 2.92Å
560	V	72.4	Confident	72.5	Confident	20 Å²	20	81.3 Å²	81.3	12%	0.121	42%	0.421	C	S	.	.	H	α-helix	trans	-59.1	-51.1	178	172.6	0	0	0	0	111.1	G554 E556 A562 H563 I564	G554-V560 WeakPolarHBondContact O-CG2 3.3Å; E556-V560 WeakPolarHBondContact O-CG2 3.36Å; E556-V560 PolarHBondContact O-N 3.3Å; V560-A562 VanDerWaalsContact C-N 3.33Å; V560-A562 PolarHBondContact O-N 3.04Å; V560-H563 PolarHBondContact O-N 3.49Å; V560-I564 HydrophobicContact CG1-CD1 3.64Å; V560-I564 WeakPolarHBondContact O-CD1 3.28Å; V560-I564 VanDerWaalsContact O-CG1 3.27Å; V560-I564 WeakPolarHBondContact O-CG1 3.17Å; V560-I564 PolarHBondContact O-N 3.21Å
561	M	74.6	Confident	71.1	Confident	88 Å²	88	82.2 Å²	82.2	43%	0.433	42%	0.422	S	S	.	.	H	α-helix	trans	-61.7	-38.9	176	-75.2	-171.2	-71.2	0	0	112.4	P557 S565	P557-M561 HydrophobicContact CB-CE 4.43Å; P557-M561 VanDerWaalsContact O-CB 3.27Å; P557-M561 WeakPolarHBondContact O-CB 3.12Å; P557-M561 WeakPolarHBondContact O-CE 2.97Å; P557-M561 VanDerWaalsContact O-CG 3.27Å; P557-M561 WeakPolarHBondContact O-CG 3.44Å; P557-M561 PolarHBondContact O-N 2.88Å; M561-S565 WeakPolarHBondContact O-CB 3.23Å; M561-S565 PolarHBondContact O-N 3.35Å
562	A	65.8	Low	69.5	Low	44 Å²	44	82.8 Å²	82.8	36%	0.364	43%	0.429	S	S	.	.	H	α-helix	trans	-63.1	-42.4	175.1	0	0	0	0	0	111.8	G558 Q559 V560 S565 K566	G558-A562 VanDerWaalsContact O-CB 3.3Å; G558-A562 WeakPolarHBondContact O-CB 3.31Å; G558-A562 PolarHBondContact O-N 3.46Å; Q559-A562 WeakPolarHBondContact O-CB 3.14Å; Q559-A562 PolarHBondContact O-N 3.08Å; V560-A562 VanDerWaalsContact C-N 3.33Å; V560-A562 PolarHBondContact O-N 3.04Å; A562-S565 PolarHBondContact O-N 2.85Å; A562-S565 PolarHBondContact O-OG 2.72Å; A562-K566 WeakPolarHBondContact O-CG 3.37Å; A562-K566 PolarHBondContact O-N 2.81Å
563	H	70.9	Confident	68.2	Low	127 Å²	127	85 Å²	85	59%	0.588	45%	0.449	S	S	*	.	H	α-helix	trans	-64.1	-48.3	177	-167.6	-99	0	0	0	112	Q559 V560 S565 K566 H567	Q559-H563 WeakPolarHBondContact O-CB 3.21Å; Q559-H563 PolarHBondContact O-N 2.92Å; V560-H563 PolarHBondContact O-N 3.49Å; H563-S565 PolarHBondContact O-N 3.48Å; H563-K566 WeakPolarHBondContact O-CB 3.11Å; H563-K566 PolarHBondContact O-N 2.79Å; H563-K566 VanDerWaalsContact O-N 3.08Å; H563-H567 PolarHBondContact O-N 3.1Å
564	I	72.5	Confident	66.5	Low	36 Å²	36	88 Å²	88	19%	0.185	46%	0.46	C	S	.	.	H	α-helix	trans	-57.6	-38.6	175.1	-64.7	155.9	0	0	0	111.2	V451 V560 K566 R568	V451-I564 HydrophobicContact CB-CD1 4.4Å; V451-I564 HydrophobicContact CG1-CD1 3.64Å; V451-I564 HydrophobicContact CG1-CG1 4.41Å; V451-I564 HydrophobicContact CG1-CG2 4.44Å; V560-I564 HydrophobicContact CG1-CD1 3.64Å; V560-I564 WeakPolarHBondContact O-CD1 3.28Å; V560-I564 VanDerWaalsContact O-CG1 3.27Å; V560-I564 WeakPolarHBondContact O-CG1 3.17Å; V560-I564 PolarHBondContact O-N 3.21Å; I564-K566 VanDerWaalsContact C-N 3.32Å; I564-K566 PolarHBondContact O-N 3.1Å; I564-R568 WeakPolarHBondContact O-CB 3.44Å; I564-R568 PolarHBondContact O-N 2.74Å
565	S	73.1	Confident	65	Low	74 Å²	74	89.7 Å²	89.7	52%	0.517	47%	0.472	S	S	.	.	H	α-helix	trans	-66.7	-30.9	178.8	81.7	0	0	0	0	113.5	M561 A562 H563	M561-S565 WeakPolarHBondContact O-CB 3.23Å; M561-S565 PolarHBondContact O-N 3.35Å; A562-S565 PolarHBondContact O-N 2.85Å; A562-S565 PolarHBondContact O-OG 2.72Å; H563-S565 PolarHBondContact O-N 3.48Å
566	K	70	Confident	63.5	Low	128 Å²	128	95.4 Å²	95.4	56%	0.557	51%	0.508	S	S	*	.	H	α-helix	trans	-72.4	-53.6	173.2	-67.2	170.5	-176.9	174.2	0	110.5	A562 H563 I564 R568 R569 E570	A562-K566 WeakPolarHBondContact O-CG 3.37Å; A562-K566 PolarHBondContact O-N 2.81Å; H563-K566 WeakPolarHBondContact O-CB 3.11Å; H563-K566 PolarHBondContact O-N 2.79Å; H563-K566 VanDerWaalsContact O-N 3.08Å; I564-K566 VanDerWaalsContact C-N 3.32Å; I564-K566 PolarHBondContact O-N 3.1Å; K566-R568 VanDerWaalsContact C-N 3.32Å; K566-R568 PolarHBondContact O-N 3.21Å; K566-R569 WeakPolarHBondContact O-CA 3.34Å; K566-R569 WeakPolarHBondContact O-CB 3.35Å; K566-R569 PolarHBondContact O-N 3.49Å; K566-E570 PolarHBondContact O-N 3.46Å; K566-E570 VanDerWaalsContact O-N 3.13Å
567	H	63.4	Low	61.8	Low	92 Å²	92	94.7 Å²	94.7	43%	0.426	52%	0.523	S	S	.	.	H	α-helix	trans	-60.4	-40.2	-176.3	-160.8	-87.6	0	0	0	112.5	H563 R569 E570 E571	H563-H567 PolarHBondContact O-N 3.1Å; H567-R569 PolarHBondContact O-N 2.87Å; H567-E570 PolarHBondContact O-N 3.01Å; H567-E571 IonicContact CE1-OE1 3.17Å; H567-E571 IonicContact ND1-OE1 2.66Å; H567-E571 IonicContact ND1-OE2 3.47Å; H567-E571 PolarHBondContact O-N 2.87Å
568	R	62.8	Low	61.2	Low	163 Å²	163	96.4 Å²	96.4	62%	0.615	53%	0.529	S	S	*	.	H	α-helix	trans	-58.8	-32.4	173.4	-171.4	-172.8	-62	-153.3	1.1	112.8	I564 K566 S572	I564-R568 WeakPolarHBondContact O-CB 3.44Å; I564-R568 PolarHBondContact O-N 2.74Å; K566-R568 VanDerWaalsContact C-N 3.32Å; K566-R568 PolarHBondContact O-N 3.21Å; R568-S572 WeakPolarHBondContact O-CB 3.22Å; R568-S572 PolarHBondContact O-N 3.12Å; R568-S572 PolarHBondContact O-OG 2.69Å
569	R	57.9	Low	60.9	Low	202 Å²	202	95.4 Å²	95.4	76%	0.762	52%	0.519	S	S	*	.	H	α-helix	trans	-76.9	-24.9	177.6	-164.3	179.7	-175.8	178.8	1.6	112.3	K566 H567 S572	K566-R569 WeakPolarHBondContact O-CA 3.34Å; K566-R569 WeakPolarHBondContact O-CB 3.35Å; K566-R569 PolarHBondContact O-N 3.49Å; H567-R569 PolarHBondContact O-N 2.87Å; R569-S572 WeakPolarHBondContact CA-OG 3.41Å; R569-S572 PolarHBondContact O-OG 2.63Å
570	E	54.1	Low	60.9	Low	116 Å²	116	100.9 Å²	100.9	54%	0.542	54%	0.542	S	S	.	.	H	α-helix	trans	-86.3	-45.3	179.3	-71.9	159	176.8	0	0	111	K566 H567 S572 A573 E574	K566-E570 PolarHBondContact O-N 3.46Å; K566-E570 VanDerWaalsContact O-N 3.13Å; H567-E570 PolarHBondContact O-N 3.01Å; E570-S572 PolarHBondContact O-N 3.03Å; E570-A573 WeakPolarHBondContact O-CA 2.91Å; E570-A573 WeakPolarHBondContact O-CB 3.44Å; E570-A573 PolarHBondContact O-N 3.23Å; E570-E574 PolarHBondContact O-N 3.15Å
571	E	51.3	Low	60.9	Low	118 Å²	118	108.1 Å²	108.1	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-57.4	-37	170.8	-71.2	178.3	130.4	0	0	112.2	H567 A573	H567-E571 IonicContact CE1-OE1 3.17Å; H567-E571 IonicContact ND1-OE1 2.66Å; H567-E571 IonicContact ND1-OE2 3.47Å; H567-E571 PolarHBondContact O-N 2.87Å; E571-A573 PolarHBondContact O-N 3.34Å
572	S	51.6	Low	61	Low	87 Å²	87	107.8 Å²	107.8	61%	0.608	57%	0.574	S	S	*	*	H	α-helix	trans	-75.9	-6.1	175.1	55.9	0	0	0	0	114.4	R568 R569 E570	R568-S572 WeakPolarHBondContact O-CB 3.22Å; R568-S572 PolarHBondContact O-N 3.12Å; R568-S572 PolarHBondContact O-OG 2.69Å; R569-S572 WeakPolarHBondContact CA-OG 3.41Å; R569-S572 PolarHBondContact O-OG 2.63Å; E570-S572 PolarHBondContact O-N 3.03Å
573	A	54.4	Low	61.7	Low	77 Å²	77	111.3 Å²	111.3	64%	0.636	58%	0.581	S	S	*	*	H	α-helix	trans	-96.9	-21.3	175	0	0	0	0	0	113.7	E570 E571	E570-A573 WeakPolarHBondContact O-CA 2.91Å; E570-A573 WeakPolarHBondContact O-CB 3.44Å; E570-A573 PolarHBondContact O-N 3.23Å; E571-A573 PolarHBondContact O-N 3.34Å
574	E	44.5	Very low	62.1	Low	179 Å²	179	108.5 Å²	108.5	84%	0.836	57%	0.568	S	S	*	*	H	α-helix	trans	-83.1	-11.4	177.6	-65.6	-157.6	129.8	0	0	114.3	E570	E570-E574 PolarHBondContact O-N 3.15Å
575	A	45.2	Very low	62.5	Low	59 Å²	59	108.6 Å²	108.6	49%	0.488	57%	0.572	S	S	.	*	S	Bend	trans	-59.5	143.4	170.3	0	0	0	0	0	111.1	G577	A575-G577 PolarHBondContact O-N 2.88Å; A575-G577 VanDerWaalsContact O-N 3.1Å
576	P	49.7	Very low	63	Low	121 Å²	121	109.1 Å²	109.1	79%	0.786	57%	0.569	S	S	*	*			trans	-48.3	120.3	-175.8	-30.4	35.8	0	0	0	112.3	L578	P576-L578 PolarHBondContact O-N 2.76Å
577	G	45.7	Very low	63.8	Low	68 Å²	68	109.4 Å²	109.4	70%	0.701	57%	0.566	S	S	*	*			trans	-62.8	89.7	-159.6	0	0	0	0	0	114.3	A575 G579	A575-G577 PolarHBondContact O-N 2.88Å; A575-G577 VanDerWaalsContact O-N 3.1Å; G577-G579 PolarHBondContact O-N 3.45Å
578	L	58.5	Low	64.8	Low	93 Å²	93	110.4 Å²	110.4	49%	0.487	57%	0.571	S	S	.	*			trans	-44.9	136.6	173.1	-71.3	-179.4	0	0	0	110.7	P576 D582 K583	P576-L578 PolarHBondContact O-N 2.76Å; L578-D582 HydrophobicContact CB-CB 3.89Å; L578-D582 HydrophobicContact CD2-CB 4.27Å; L578-K583 HydrophobicContact CB-CG 4.17Å; L578-K583 WeakPolarHBondContact O-CD 3.43Å; L578-K583 VanDerWaalsContact O-CE 3.23Å; L578-K583 WeakPolarHBondContact O-CE 3.45Å; L578-K583 PolarHBondContact O-NZ 2.97Å
579	G	69.1	Low	66.1	Low	31 Å²	31	108.2 Å²	108.2	32%	0.32	57%	0.566	S	S	.	*			trans	-60	163.7	-174.8	0	0	0	0	0	112.4	G577 E581 D582 K583	G577-G579 PolarHBondContact O-N 3.45Å; G579-E581 PolarHBondContact O-N 3.49Å; G579-D582 WeakPolarHBondContact CA-OD2 3.2Å; G579-D582 PolarHBondContact N-OD2 2.91Å; G579-D582 PolarHBondContact O-N 3.31Å; G579-K583 WeakPolarHBondContact O-CB 3.45Å; G579-K583 WeakPolarHBondContact O-CG 3.38Å; G579-K583 PolarHBondContact O-N 2.88Å
580	K	70.9	Confident	67.5	Low	195 Å²	195	103.6 Å²	103.6	85%	0.848	55%	0.553	S	S	*	*	H	α-helix	trans	-59.4	-32.9	174	-66.7	179.7	-179.5	175.8	0	111.2	E584	K580-E584 WeakPolarHBondContact O-CB 3.22Å; K580-E584 PolarHBondContact O-N 3.18Å; K580-E584 VanDerWaalsContact O-N 3.11Å
581	E	72.9	Confident	68.9	Low	173 Å²	173	102 Å²	102	81%	0.808	55%	0.548	S	S	*	.	H	α-helix	trans	-71.5	-46.7	175.4	-67	164.6	-159.3	0	0	111.7	G579 K583 E584 S585	G579-E581 PolarHBondContact O-N 3.49Å; E581-K583 VanDerWaalsContact C-N 3.34Å; E581-K583 PolarHBondContact O-N 2.79Å; E581-E584 PolarHBondContact O-N 3.43Å; E581-S585 WeakPolarHBondContact O-CB 3.42Å; E581-S585 PolarHBondContact O-N 3.04Å
582	D	77.7	Confident	70.6	Confident	80 Å²	80	103.7 Å²	103.7	43%	0.428	55%	0.554	S	S	.	*	H	α-helix	trans	-57.9	-45.7	175	-62.5	-50.9	0	0	0	112.1	L578 G579 S585 L586	L578-D582 HydrophobicContact CB-CB 3.89Å; L578-D582 HydrophobicContact CD2-CB 4.27Å; G579-D582 WeakPolarHBondContact CA-OD2 3.2Å; G579-D582 PolarHBondContact N-OD2 2.91Å; G579-D582 PolarHBondContact O-N 3.31Å; D582-S585 CarbonylContact O-C 3.4Å; D582-S585 WeakPolarHBondContact O-CA 3.33Å; D582-S585 WeakPolarHBondContact O-CB 3.43Å; D582-S585 PolarHBondContact O-N 2.82Å; D582-S585 VanDerWaalsContact O-N 3.15Å; D582-S585 PolarHBondContact O-OG 2.72Å; D582-L586 PolarHBondContact O-N 3.27Å
583	K	78.6	Confident	72.2	Confident	119 Å²	119	106.1 Å²	106.1	52%	0.517	56%	0.555	S	S	.	*	H	α-helix	trans	-65.2	-40.5	179.9	-76.6	170.3	171.1	146.6	0	112.2	L578 G579 E581 L586 R587	L578-K583 HydrophobicContact CB-CG 4.17Å; L578-K583 WeakPolarHBondContact O-CD 3.43Å; L578-K583 VanDerWaalsContact O-CE 3.23Å; L578-K583 WeakPolarHBondContact O-CE 3.45Å; L578-K583 PolarHBondContact O-NZ 2.97Å; G579-K583 WeakPolarHBondContact O-CB 3.45Å; G579-K583 WeakPolarHBondContact O-CG 3.38Å; G579-K583 PolarHBondContact O-N 2.88Å; E581-K583 VanDerWaalsContact C-N 3.34Å; E581-K583 PolarHBondContact O-N 2.79Å; K583-L586 PolarHBondContact O-N 2.9Å; K583-R587 WeakPolarHBondContact O-CB 3.44Å; K583-R587 PolarHBondContact O-N 3.41Å
584	E	81.1	Confident	73.2	Confident	68 Å²	68	107.3 Å²	107.3	32%	0.318	55%	0.549	S	S	.	.	H	α-helix	trans	-68.5	-34.9	171.6	-178.1	56.9	-156.6	0	0	111.4	K580 E581 L586 R587 Q588	K580-E584 WeakPolarHBondContact O-CB 3.22Å; K580-E584 PolarHBondContact O-N 3.18Å; K580-E584 VanDerWaalsContact O-N 3.11Å; E581-E584 PolarHBondContact O-N 3.43Å; E584-L586 VanDerWaalsContact C-N 3.33Å; E584-L586 PolarHBondContact O-N 3.36Å; E584-R587 PolarHBondContact O-N 3.15Å; E584-R587 IonicContact OE1-NH1 2.8Å; E584-R587 PolarHBondContact OE1-NH1 3.11Å; E584-R587 WeakPolarHBondContact OE2-CD 3.4Å; E584-R587 IonicContact OE2-CZ 3.18Å; E584-R587 IonicContact OE2-NE 3.22Å; E584-R587 IonicContact OE2-NH1 2.69Å; E584-R587 PolarHBondContact OE2-NH1 3.33Å; E584-Q588 WeakPolarHBondContact O-CB 3.18Å; E584-Q588 VanDerWaalsContact O-CG 3.27Å; E584-Q588 WeakPolarHBondContact O-CG 3.08Å; E584-Q588 PolarHBondContact O-N 3.41Å; E584-Q588 WeakPolarHBondContact OE1-CG 3.49Å; E584-Q588 PolarHBondContact OE1-NE2 2.95Å
585	S	80.7	Confident	75	Confident	38 Å²	38	103.7 Å²	103.7	27%	0.266	53%	0.53	S	S	.	.	H	α-helix	trans	-63.1	-38.3	172.5	98.1	0	0	0	0	112.2	E581 D582 K589	E581-S585 WeakPolarHBondContact O-CB 3.42Å; E581-S585 PolarHBondContact O-N 3.04Å; D582-S585 CarbonylContact O-C 3.4Å; D582-S585 WeakPolarHBondContact O-CA 3.33Å; D582-S585 WeakPolarHBondContact O-CB 3.43Å; D582-S585 PolarHBondContact O-N 2.82Å; D582-S585 VanDerWaalsContact O-N 3.15Å; D582-S585 PolarHBondContact O-OG 2.72Å; S585-K589 VanDerWaalsContact O-CD 3.28Å; S585-K589 WeakPolarHBondContact O-CD 3.48Å; S585-K589 WeakPolarHBondContact O-CG 3.36Å; S585-K589 PolarHBondContact O-N 3.15Å; S585-K589 PolarHBondContact OG-NZ 2.78Å; S585-K589 VanDerWaalsContact OG-NZ 3.08Å
586	L	83.4	Confident	76.7	Confident	84 Å²	84	103 Å²	103	44%	0.44	53%	0.525	S	S	.	.	H	α-helix	trans	-66.6	-51.7	177.1	-142.9	84.2	0	0	0	109.7	D582 K583 E584 Q588 K589 E590	D582-L586 PolarHBondContact O-N 3.27Å; K583-L586 PolarHBondContact O-N 2.9Å; E584-L586 VanDerWaalsContact C-N 3.33Å; E584-L586 PolarHBondContact O-N 3.36Å; L586-Q588 VanDerWaalsContact C-N 3.27Å; L586-Q588 PolarHBondContact O-N 3.46Å; L586-K589 WeakPolarHBondContact O-CB 3.2Å; L586-K589 PolarHBondContact O-N 3.11Å; L586-E590 WeakPolarHBondContact O-CG 3.01Å; L586-E590 PolarHBondContact O-N 3.22Å
587	R	87.1	Confident	78.3	Confident	134 Å²	134	105 Å²	105	51%	0.506	52%	0.521	S	S	.	.	H	α-helix	trans	-53.5	-42.3	174.8	177.6	172.9	169.7	-90	-8.3	112	K583 E584 L591	K583-R587 WeakPolarHBondContact O-CB 3.44Å; K583-R587 PolarHBondContact O-N 3.41Å; E584-R587 PolarHBondContact O-N 3.15Å; E584-R587 IonicContact OE1-NH1 2.8Å; E584-R587 PolarHBondContact OE1-NH1 3.11Å; E584-R587 WeakPolarHBondContact OE2-CD 3.4Å; E584-R587 IonicContact OE2-CZ 3.18Å; E584-R587 IonicContact OE2-NE 3.22Å; E584-R587 IonicContact OE2-NH1 2.69Å; E584-R587 PolarHBondContact OE2-NH1 3.33Å; R587-L591 WeakPolarHBondContact O-CB 3.2Å; R587-L591 PolarHBondContact O-N 3.25Å
588	Q	83.1	Confident	79.9	Confident	113 Å²	113	108.9 Å²	108.9	53%	0.528	52%	0.515	S	S	.	.	H	α-helix	trans	-69.5	-37.1	176.8	-73.4	176.7	17.5	0	0	113.2	E584 L586 K592	E584-Q588 WeakPolarHBondContact O-CB 3.18Å; E584-Q588 VanDerWaalsContact O-CG 3.27Å; E584-Q588 WeakPolarHBondContact O-CG 3.08Å; E584-Q588 PolarHBondContact O-N 3.41Å; E584-Q588 WeakPolarHBondContact OE1-CG 3.49Å; E584-Q588 PolarHBondContact OE1-NE2 2.95Å; L586-Q588 VanDerWaalsContact C-N 3.27Å; L586-Q588 PolarHBondContact O-N 3.46Å; Q588-K592 VanDerWaalsContact O-CB 3.31Å; Q588-K592 WeakPolarHBondContact O-CB 3.44Å; Q588-K592 PolarHBondContact O-N 2.8Å
589	K	89.7	Confident	80.5	Confident	117 Å²	117	107.6 Å²	107.6	51%	0.509	53%	0.525	S	S	.	.	H	α-helix	trans	-63.7	-45.7	173	-71.5	156.8	-174.8	155.2	0	110.9	S585 L586 K592 Q593	S585-K589 VanDerWaalsContact O-CD 3.28Å; S585-K589 WeakPolarHBondContact O-CD 3.48Å; S585-K589 WeakPolarHBondContact O-CG 3.36Å; S585-K589 PolarHBondContact O-N 3.15Å; S585-K589 PolarHBondContact OG-NZ 2.78Å; S585-K589 VanDerWaalsContact OG-NZ 3.08Å; L586-K589 WeakPolarHBondContact O-CB 3.2Å; L586-K589 PolarHBondContact O-N 3.11Å; K589-K592 PolarHBondContact O-N 3.1Å; K589-Q593 WeakPolarHBondContact O-CG 3.36Å; K589-Q593 PolarHBondContact O-N 3.05Å
590	E	88.9	Confident	80.3	Confident	106 Å²	106	111.8 Å²	111.8	50%	0.495	54%	0.54	S	S	.	.	H	α-helix	trans	-61.2	-46.6	175.1	-70.3	169.2	177.8	0	0	111.7	L586 K592 Q593 M594	L586-E590 WeakPolarHBondContact O-CG 3.01Å; L586-E590 PolarHBondContact O-N 3.22Å; E590-K592 VanDerWaalsContact C-N 3.29Å; E590-K592 PolarHBondContact O-N 3.33Å; E590-Q593 PolarHBondContact O-N 3.26Å; E590-Q593 VanDerWaalsContact O-N 3.16Å; E590-M594 WeakPolarHBondContact O-CB 3.33Å; E590-M594 WeakPolarHBondContact O-CG 3.31Å; E590-M594 PolarHBondContact O-N 3.25Å
591	L	83.4	Confident	79.6	Confident	83 Å²	83	108.3 Å²	108.3	44%	0.435	53%	0.526	S	S	.	.	H	α-helix	trans	-63.2	-35.6	177.2	-136	165.1	0	0	0	111.4	R587 K595	R587-L591 WeakPolarHBondContact O-CB 3.2Å; R587-L591 PolarHBondContact O-N 3.25Å; L591-K595 HydrophobicContact CD2-CD 4.39Å; L591-K595 HydrophobicContact CD2-CG 4.31Å; L591-K595 WeakPolarHBondContact O-CB 3.4Å; L591-K595 WeakPolarHBondContact O-CG 3.47Å; L591-K595 PolarHBondContact O-N 3.24Å
592	K	86.1	Confident	78.6	Confident	153 Å²	153	104.3 Å²	104.3	67%	0.665	52%	0.518	S	S	*	.	H	α-helix	trans	-69.5	-38.1	173.4	-170.5	172.4	-177.8	175.8	0	112.4	Q588 K589 E590 A596	Q588-K592 VanDerWaalsContact O-CB 3.31Å; Q588-K592 WeakPolarHBondContact O-CB 3.44Å; Q588-K592 PolarHBondContact O-N 2.8Å; K589-K592 PolarHBondContact O-N 3.1Å; E590-K592 VanDerWaalsContact C-N 3.29Å; E590-K592 PolarHBondContact O-N 3.33Å; K592-A596 WeakPolarHBondContact O-CB 3.38Å; K592-A596 PolarHBondContact O-N 2.74Å
593	Q	84.6	Confident	77.4	Confident	137 Å²	137	107.5 Å²	107.5	64%	0.64	54%	0.535	S	S	*	.	H	α-helix	trans	-67.9	-40.2	173.4	-73.5	177.5	11.5	0	0	112.1	K589 E590 A596 K597	K589-Q593 WeakPolarHBondContact O-CG 3.36Å; K589-Q593 PolarHBondContact O-N 3.05Å; E590-Q593 PolarHBondContact O-N 3.26Å; E590-Q593 VanDerWaalsContact O-N 3.16Å; Q593-A596 WeakPolarHBondContact O-CB 3.42Å; Q593-A596 PolarHBondContact O-N 2.94Å; Q593-K597 WeakPolarHBondContact O-CB 3.37Å; Q593-K597 PolarHBondContact O-N 3.11Å
594	M	75.8	Confident	75.8	Confident	102 Å²	102	110.5 Å²	110.5	50%	0.502	55%	0.551	S	S	.	*	H	α-helix	trans	-63.8	-45.8	173.8	-71.7	-73.8	-87.1	0	0	110.8	E590 A596 K597 Y598	E590-M594 WeakPolarHBondContact O-CB 3.33Å; E590-M594 WeakPolarHBondContact O-CG 3.31Å; E590-M594 PolarHBondContact O-N 3.25Å; M594-A596 VanDerWaalsContact C-N 3.29Å; M594-A596 PolarHBondContact O-N 3.22Å; M594-K597 PolarHBondContact O-N 3.37Å; M594-Y598 HydrophobicContact CE-CE2 3.89Å; M594-Y598 WeakPolarHBondContact O-CD2 3.48Å; M594-Y598 PolarHBondContact O-N 3.36Å; M594-Y598 HydrophobicContact SD-CE2 4.02Å
595	K	83.9	Confident	74.5	Confident	103 Å²	103	115.5 Å²	115.5	45%	0.448	57%	0.574	S	S	.	*	H	α-helix	trans	-57.8	-40.4	171.8	-78.5	-174.9	174.6	-165.9	0	112.3	L591 G599 L600	L591-K595 HydrophobicContact CD2-CD 4.39Å; L591-K595 HydrophobicContact CD2-CG 4.31Å; L591-K595 WeakPolarHBondContact O-CB 3.4Å; L591-K595 WeakPolarHBondContact O-CG 3.47Å; L591-K595 PolarHBondContact O-N 3.24Å; K595-G599 PolarHBondContact O-N 3.35Å; K595-L600 HydrophobicContact CB-CB 4.19Å; K595-L600 HydrophobicContact CG-CB 4.14Å; K595-L600 WeakPolarHBondContact O-CA 3.27Å; K595-L600 PolarHBondContact O-N 3.36Å
596	A	80.8	Confident	73.2	Confident	45 Å²	45	119.1 Å²	119.1	37%	0.372	60%	0.595	S	S	.	*	H	α-helix	trans	-60.9	-51.7	173.7	0	0	0	0	0	112.3	K592 Q593 M594 Y598 G599 Q601	K592-A596 WeakPolarHBondContact O-CB 3.38Å; K592-A596 PolarHBondContact O-N 2.74Å; Q593-A596 WeakPolarHBondContact O-CB 3.42Å; Q593-A596 PolarHBondContact O-N 2.94Å; M594-A596 VanDerWaalsContact C-N 3.29Å; M594-A596 PolarHBondContact O-N 3.22Å; A596-Y598 PolarHBondContact O-N 3.35Å; A596-G599 PolarHBondContact O-N 2.71Å; A596-G599 VanDerWaalsContact O-N 3.12Å; A596-Q601 HydrophobicContact CB-CG 4.42Å
597	K	81.4	Confident	71.8	Confident	163 Å²	163	125 Å²	125	71%	0.709	62%	0.617	S	S	*	*	H	α-helix	trans	-61.5	-28.7	-177.2	-172.6	175.1	179.9	179.9	0	113.4	Q593 M594	Q593-K597 WeakPolarHBondContact O-CB 3.37Å; Q593-K597 PolarHBondContact O-N 3.11Å; M594-K597 PolarHBondContact O-N 3.37Å
598	Y	80.7	Confident	70.3	Confident	149 Å²	149	123 Å²	123	58%	0.584	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	16.8	178	-62.6	-64.3	0	0	0	114.1	M594 A596 L600	M594-Y598 HydrophobicContact CE-CE2 3.89Å; M594-Y598 WeakPolarHBondContact O-CD2 3.48Å; M594-Y598 PolarHBondContact O-N 3.36Å; M594-Y598 HydrophobicContact SD-CE2 4.02Å; A596-Y598 PolarHBondContact O-N 3.35Å; Y598-L600 PolarHBondContact O-N 3.25Å; Y598-L600 VanDerWaalsContact O-N 3.14Å
599	G	71.4	Confident	68.9	Low	67 Å²	67	125.7 Å²	125.7	69%	0.691	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.9	8.9	175	0	0	0	0	0	115.7	K595 A596 Q601	K595-G599 PolarHBondContact O-N 3.35Å; A596-G599 PolarHBondContact O-N 2.71Å; A596-G599 VanDerWaalsContact O-N 3.12Å; G599-Q601 PolarHBondContact O-N 2.67Å; G599-Q601 VanDerWaalsContact O-N 3.15Å
600	L	64.5	Low	67.1	Low	119 Å²	119	129.1 Å²	129.1	62%	0.623	66%	0.655	S	S	*	*			trans	-86.5	36.4	-177.6	-70.8	162.1	0	0	0	112.5	K595 Y598	K595-L600 HydrophobicContact CB-CB 4.19Å; K595-L600 HydrophobicContact CG-CB 4.14Å; K595-L600 WeakPolarHBondContact O-CA 3.27Å; K595-L600 PolarHBondContact O-N 3.36Å; Y598-L600 PolarHBondContact O-N 3.25Å; Y598-L600 VanDerWaalsContact O-N 3.14Å
601	Q	56	Low	65.4	Low	121 Å²	121	128.8 Å²	128.8	57%	0.565	66%	0.657	S	S	*	*			trans	-89.3	107.7	171.6	-72.8	-171.4	-9.8	0	0	109.7	A596 G599 N603	A596-Q601 HydrophobicContact CB-CG 4.42Å; G599-Q601 PolarHBondContact O-N 2.67Å; G599-Q601 VanDerWaalsContact O-N 3.15Å; Q601-N603 VanDerWaalsContact C-N 3.26Å; Q601-N603 PolarHBondContact O-N 2.57Å
602	S	51.7	Low	64.5	Low	90 Å²	90	131.3 Å²	131.3	63%	0.629	68%	0.678	S	S	*	*			trans	-75	75	175.9	56.7	0	0	0	0	111.7
603	N	51.8	Low	63.5	Low	147 Å²	147	133.3 Å²	133.3	79%	0.786	69%	0.687	S	S	*	*			trans	-92.2	155.7	136.3	-77.9	-12.8	0	0	0	107.1	Q601	Q601-N603 VanDerWaalsContact C-N 3.26Å; Q601-N603 PolarHBondContact O-N 2.57Å
604	E	45.9	Very low	62.7	Low	182 Å²	182	134 Å²	134	85%	0.85	68%	0.684	S	S	*	*			trans	65	62.5	-172.6	-53.2	-165.3	164.1	0	0	114.7	T606	E604-T606 PolarHBondContact O-N 3.01Å
605	E	54.5	Low	62.7	Low	173 Å²	173	139.3 Å²	139.3	81%	0.808	70%	0.699	S	S	*	*			trans	-66.2	78.1	153	-70.3	-172.7	145.6	0	0	110.2
606	T	51.6	Low	62.1	Low	114 Å²	114	136.3 Å²	136.3	70%	0.699	69%	0.688	S	S	*	*	S	Bend	trans	179.8	145.9	148.4	21.9	0	0	0	0	111.2	E604	E604-T606 PolarHBondContact O-N 3.01Å
607	K	55.8	Low	61.9	Low	208 Å²	208	143.1 Å²	143.1	90%	0.904	70%	0.704	S	S	*	*	S	Bend	trans	81.3	8.6	167.8	-57.1	168.7	-174.9	170.9	0	120.2
608	A	54.8	Low	61.1	Low	90 Å²	90	137.8 Å²	137.8	74%	0.744	69%	0.69	S	S	*	*			trans	-126	127.1	156.6	0	0	0	0	0	109.1
609	L	54.7	Low	60.8	Low	171 Å²	171	134.5 Å²	134.5	90%	0.895	68%	0.68	S	S	*	*	S	Bend	cis	-133	93.4	18.8	-65.8	159.1	0	0	0	112.1
610	R	51.9	Low	61	Low	189 Å²	189	134 Å²	134	71%	0.713	67%	0.666	S	S	*	*			trans	-115.3	97.5	157.3	-83.3	-158.8	179.4	-124.5	-4.7	109.8	P612 E619	R610-P612 WeakPolarHBondContact O-CD 3.4Å; R610-E619 IonicContact CZ-OE2 2.75Å; R610-E619 IonicContact NH1-OE2 3.45Å; R610-E619 PolarHBondContact NH1-OE2 3.24Å; R610-E619 IonicContact NH2-OE1 2.79Å; R610-E619 PolarHBondContact NH2-OE1 3.37Å; R610-E619 IonicContact NH2-OE2 3.4Å; R610-E619 PolarHBondContact NH2-OE2 2.86Å
611	N	53	Low	61.4	Low	99 Å²	99	136.7 Å²	136.7	53%	0.529	67%	0.668	S	S	.	*			trans	-61.3	120.2	167.3	171.9	-4.9	0	0	0	108.5	K613 Y614	N611-K613 PolarHBondContact O-N 2.94Å; N611-K613 VanDerWaalsContact O-N 3.11Å; N611-K613 PolarHBondContact OD1-N 3.38Å; N611-Y614 PolarHBondContact O-N 2.92Å
612	P	63.9	Low	62.3	Low	135 Å²	135	139.8 Å²	139.8	88%	0.877	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-14.5	-175.3	26.8	-35.1	0	0	0	114	R610	R610-P612 WeakPolarHBondContact O-CD 3.4Å
613	K	64.1	Low	63	Low	196 Å²	196	143.3 Å²	143.3	85%	0.852	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-14.4	170.9	-66.5	-173.3	176.4	-176.9	0	113.7	N611 R615	N611-K613 PolarHBondContact O-N 2.94Å; N611-K613 VanDerWaalsContact O-N 3.11Å; N611-K613 PolarHBondContact OD1-N 3.38Å; K613-R615 PolarHBondContact O-N 3.43Å
614	Y	68.6	Low	63.8	Low	150 Å²	150	143.2 Å²	143.2	59%	0.588	68%	0.68	S	S	*	*			trans	-87.1	102.4	-179.7	-178	-100.4	0	0	0	110.9	N611 D616	N611-Y614 PolarHBondContact O-N 2.92Å; Y614-D616 HydrophobicContact CD1-CB 4.37Å; Y614-D616 HydrophobicContact CE1-CB 3.66Å; Y614-D616 VanDerWaalsContact CE1-OD2 3.24Å; Y614-D616 WeakPolarHBondContact CE1-OD2 3.28Å; Y614-D616 PolarHBondContact OH-OD2 3.42Å
615	R	75.4	Confident	64.7	Low	214 Å²	214	139.8 Å²	139.8	81%	0.808	67%	0.671	S	S	*	*			trans	-97.1	100.1	177.7	-167.9	174.9	-172.9	175.8	2.7	109.7	K613 R617	K613-R615 PolarHBondContact O-N 3.43Å; R615-R617 PolarHBondContact O-N 3.18Å
616	D	70.8	Confident	64.5	Low	40 Å²	40	133.8 Å²	133.8	21%	0.214	66%	0.656	C	S	.	*			trans	-69	98.2	-173.2	-159.5	-50.2	0	0	0	112.5	Y614 A618 E619 S620	Y614-D616 HydrophobicContact CD1-CB 4.37Å; Y614-D616 HydrophobicContact CE1-CB 3.66Å; Y614-D616 VanDerWaalsContact CE1-OD2 3.24Å; Y614-D616 WeakPolarHBondContact CE1-OD2 3.28Å; Y614-D616 PolarHBondContact OH-OD2 3.42Å; D616-A618 VanDerWaalsContact C-N 3.29Å; D616-A618 WeakPolarHBondContact OD1-CA 3.21Å; D616-A618 WeakPolarHBondContact OD1-CB 3.49Å; D616-A618 PolarHBondContact OD1-N 3.15Å; D616-E619 HydrophobicContact CB-CB 3.94Å; D616-E619 PolarHBondContact OD1-N 3.05Å; D616-S620 WeakPolarHBondContact O-CB 3.32Å; D616-S620 PolarHBondContact O-N 2.92Å; D616-S620 PolarHBondContact O-OG 2.9Å
617	R	77.6	Confident	64.8	Low	188 Å²	188	133.8 Å²	133.8	71%	0.709	66%	0.661	S	S	*	*	H	α-helix	trans	-73.3	-16.9	175.4	-83.8	-175.5	164	111.4	-9.8	113.3	R615 R621	R615-R617 PolarHBondContact O-N 3.18Å; R617-R621 VanDerWaalsContact O-CB 3.3Å; R617-R621 WeakPolarHBondContact O-CB 3.49Å; R617-R621 WeakPolarHBondContact O-CD 3.28Å; R617-R621 WeakPolarHBondContact O-CG 3.43Å; R617-R621 PolarHBondContact O-N 3.36Å
618	A	63.9	Low	64.8	Low	51 Å²	51	131.4 Å²	131.4	42%	0.421	65%	0.653	S	S	.	*	H	α-helix	trans	-81.1	-45.2	176.2	0	0	0	0	0	110.8	D616 R621 R622	D616-A618 VanDerWaalsContact C-N 3.29Å; D616-A618 WeakPolarHBondContact OD1-CA 3.21Å; D616-A618 WeakPolarHBondContact OD1-CB 3.49Å; D616-A618 PolarHBondContact OD1-N 3.15Å; A618-R621 PolarHBondContact O-N 3.16Å; A618-R622 VanDerWaalsContact O-CG 3.31Å; A618-R622 WeakPolarHBondContact O-CG 3.49Å; A618-R622 PolarHBondContact O-N 2.92Å
619	E	74.3	Confident	64.7	Low	81 Å²	81	130 Å²	130	38%	0.379	65%	0.648	S	S	.	*	H	α-helix	trans	-58.3	-46.8	169.1	-172.7	169.7	-110.9	0	0	110.5	R610 D616 R621 R622 Q623	R610-E619 IonicContact CZ-OE2 2.75Å; R610-E619 IonicContact NH1-OE2 3.45Å; R610-E619 PolarHBondContact NH1-OE2 3.24Å; R610-E619 IonicContact NH2-OE1 2.79Å; R610-E619 PolarHBondContact NH2-OE1 3.37Å; R610-E619 IonicContact NH2-OE2 3.4Å; R610-E619 PolarHBondContact NH2-OE2 2.86Å; D616-E619 HydrophobicContact CB-CB 3.94Å; D616-E619 PolarHBondContact OD1-N 3.05Å; E619-R621 VanDerWaalsContact C-N 3.33Å; E619-R621 PolarHBondContact O-N 3.24Å; E619-R622 PolarHBondContact O-N 3.28Å; E619-R622 VanDerWaalsContact O-N 3.17Å; E619-Q623 PolarHBondContact O-N 3.23Å
620	S	75.3	Confident	64.4	Low	55 Å²	55	128.6 Å²	128.6	39%	0.385	65%	0.646	S	S	.	*	H	α-helix	trans	-59	-39.8	174.5	-54.7	0	0	0	0	112.8	D616 Q623 N624	D616-S620 WeakPolarHBondContact O-CB 3.32Å; D616-S620 PolarHBondContact O-N 2.92Å; D616-S620 PolarHBondContact O-OG 2.9Å; S620-Q623 PolarHBondContact O-N 2.8Å; S620-N624 VanDerWaalsContact O-CB 3.26Å; S620-N624 WeakPolarHBondContact O-CB 3.22Å; S620-N624 PolarHBondContact O-N 2.89Å
621	R	72.9	Confident	64.3	Low	176 Å²	176	128.8 Å²	128.8	66%	0.664	65%	0.652	S	S	*	*	H	α-helix	trans	-69.4	-38.5	175.5	-83.3	171.1	171.8	161.2	-5	112.3	R617 A618 E619 Q623 N624 V625	R617-R621 VanDerWaalsContact O-CB 3.3Å; R617-R621 WeakPolarHBondContact O-CB 3.49Å; R617-R621 WeakPolarHBondContact O-CD 3.28Å; R617-R621 WeakPolarHBondContact O-CG 3.43Å; R617-R621 PolarHBondContact O-N 3.36Å; A618-R621 PolarHBondContact O-N 3.16Å; E619-R621 VanDerWaalsContact C-N 3.33Å; E619-R621 PolarHBondContact O-N 3.24Å; R621-Q623 VanDerWaalsContact C-N 3.28Å; R621-Q623 PolarHBondContact O-N 2.87Å; R621-N624 PolarHBondContact O-N 2.88Å; R621-V625 CarbonylContact O-C 3.56Å; R621-V625 WeakPolarHBondContact O-CA 3.3Å; R621-V625 WeakPolarHBondContact O-CB 3.4Å; R621-V625 PolarHBondContact O-N 2.87Å
622	R	75.8	Confident	64.3	Low	187 Å²	187	131 Å²	131	71%	0.706	66%	0.659	S	S	*	*	H	α-helix	trans	-63.2	-33.3	175.1	-69.7	169.3	-164.1	-94.7	5.2	112.3	A618 E619 G626	A618-R622 VanDerWaalsContact O-CG 3.31Å; A618-R622 WeakPolarHBondContact O-CG 3.49Å; A618-R622 PolarHBondContact O-N 2.92Å; E619-R622 PolarHBondContact O-N 3.28Å; E619-R622 VanDerWaalsContact O-N 3.17Å; R622-G626 WeakPolarHBondContact O-CA 3.31Å
623	Q	66.8	Low	63.8	Low	164 Å²	164	135.8 Å²	135.8	77%	0.766	66%	0.66	S	S	*	*	H	α-helix	trans	-77.6	-43.7	174.6	-70.6	-179.3	-16.4	0	0	112.6	E619 S620 R621	E619-Q623 PolarHBondContact O-N 3.23Å; S620-Q623 PolarHBondContact O-N 2.8Å; R621-Q623 VanDerWaalsContact C-N 3.28Å; R621-Q623 PolarHBondContact O-N 2.87Å
624	N	68.3	Low	63.2	Low	144 Å²	144	133.1 Å²	133.1	77%	0.77	66%	0.655	S	S	*	*	H	α-helix	trans	-94.7	-9.3	-169.8	-154.4	99.9	0	0	0	114.5	S620 R621	S620-N624 VanDerWaalsContact O-CB 3.26Å; S620-N624 WeakPolarHBondContact O-CB 3.22Å; S620-N624 PolarHBondContact O-N 2.89Å; R621-N624 PolarHBondContact O-N 2.88Å
625	V	65.2	Low	62.8	Low	110 Å²	110	130.4 Å²	130.4	67%	0.667	65%	0.651	S	S	*	*	S	Bend	trans	-138.2	53.1	178.2	-162.1	0	0	0	0	107.7	R621 S627	R621-V625 CarbonylContact O-C 3.56Å; R621-V625 WeakPolarHBondContact O-CA 3.3Å; R621-V625 WeakPolarHBondContact O-CB 3.4Å; R621-V625 PolarHBondContact O-N 2.87Å; V625-S627 PolarHBondContact O-N 2.86Å
626	G	49	Very low	61.9	Low	48 Å²	48	124 Å²	124	50%	0.495	64%	0.644	S	S	.	*			trans	-50.4	129.6	-166.2	0	0	0	0	0	113.7	R622 E628	R622-G626 WeakPolarHBondContact O-CA 3.31Å; G626-E628 PolarHBondContact O-N 3.02Å
627	S	57.9	Low	61.5	Low	113 Å²	113	128 Å²	128	79%	0.79	67%	0.671	S	S	*	*	S	Bend	trans	-78.6	31.8	179.9	65.7	0	0	0	0	113.5	V625	V625-S627 PolarHBondContact O-N 2.86Å
628	E	57.3	Low	60.6	Low	159 Å²	159	123.9 Å²	123.9	74%	0.743	68%	0.678	S	S	*	*			trans	-85.8	98.8	157.4	-68.6	-160.5	166.8	0	0	107.2	G626 V630	G626-E628 PolarHBondContact O-N 3.02Å; E628-V630 PolarHBondContact O-N 2.87Å
629	G	51.9	Low	60.7	Low	61 Å²	61	124 Å²	124	63%	0.629	68%	0.675	S	S	*	*			trans	-59.3	134.8	165.5	0	0	0	0	0	108.8	F631	G629-F631 PolarHBondContact O-N 3.45Å
630	V	48.2	Very low	60.1	Low	141 Å²	141	122.7 Å²	122.7	86%	0.855	67%	0.673	S	S	*	*	S	Bend	trans	-75.6	62	-178.4	-169	0	0	0	0	110.5	E628	E628-V630 PolarHBondContact O-N 2.87Å
631	F	50.7	Low	59.4	Low	193 Å²	193	126 Å²	126	85%	0.846	68%	0.682	S	S	*	*			trans	-130.8	52.9	171	-72.4	-74.4	0	0	0	108.2	G629 R633	G629-F631 PolarHBondContact O-N 3.45Å; F631-R633 PolarHBondContact O-N 3.21Å; F631-R633 VanDerWaalsContact O-N 3.08Å
632	Q	53.4	Low	59.1	Low	146 Å²	146	124.7 Å²	124.7	68%	0.682	68%	0.683	S	S	*	*			trans	-56.5	114.2	153.3	-67.4	-175	-0.7	0	0	106.2	D634	Q632-D634 WeakPolarHBondContact CB-OD1 3.49Å; Q632-D634 PolarHBondContact O-N 2.77Å
633	R	52.4	Low	58.9	Low	234 Å²	234	121 Å²	121	88%	0.883	67%	0.674	S	S	*	*			trans	-76.3	87.3	165.5	-90.3	-176.5	165.2	149.6	-3.7	106.2	F631 D635	F631-R633 PolarHBondContact O-N 3.21Å; F631-R633 VanDerWaalsContact O-N 3.08Å; R633-D635 CarbonylContact O-C 3.58Å; R633-D635 PolarHBondContact O-N 3.11Å
634	D	51.6	Low	59.3	Low	140 Å²	140	118.4 Å²	118.4	75%	0.749	66%	0.664	S	S	*	*			trans	-60.6	-23.8	-179.3	-61	-24.9	0	0	0	112.5	Q632	Q632-D634 WeakPolarHBondContact CB-OD1 3.49Å; Q632-D634 PolarHBondContact O-N 2.77Å
635	D	60.1	Low	59.6	Low	94 Å²	94	114.3 Å²	114.3	50%	0.503	65%	0.647	S	S	.	*	S	Bend	trans	-84.7	115.9	165.4	-73.7	-56	0	0	0	110.4	R633 N648	R633-D635 CarbonylContact O-C 3.58Å; R633-D635 PolarHBondContact O-N 3.11Å; D635-N648 PolarHBondContact OD1-ND2 2.64Å; D635-N648 PolarHBondContact OD2-ND2 3.41Å; D635-N648 VanDerWaalsContact OD2-ND2 3.15Å
636	A	57.6	Low	60.2	Low	80 Å²	80	115.4 Å²	115.4	66%	0.661	65%	0.645	S	S	*	*			trans	-55	147.2	168.9	0	0	0	0	0	111.3	A638	A636-A638 PolarHBondContact O-N 2.99Å
637	P	60.8	Low	61.8	Low	122 Å²	122	118.8 Å²	118.8	79%	0.792	66%	0.655	S	S	*	*			trans	-59	134.9	-179.7	25.7	-34.8	0	0	0	110.7	S639	P637-S639 PolarHBondContact O-N 3.36Å
638	A	60.3	Low	62.9	Low	102 Å²	102	115 Å²	115	84%	0.843	63%	0.626	S	S	*	*			trans	-50.8	110.2	-169.6	0	0	0	0	0	112.7	A636	A636-A638 PolarHBondContact O-N 2.99Å
639	S	64.3	Low	64.1	Low	53 Å²	53	116.1 Å²	116.1	37%	0.371	63%	0.629	S	S	.	*			trans	-80.8	146.1	-179.4	-173	0	0	0	0	111	P637 H641 E642	P637-S639 PolarHBondContact O-N 3.36Å; S639-H641 VanDerWaalsContact C-N 3.35Å; S639-H641 PolarHBondContact OG-N 3.16Å; S639-H641 VanDerWaalsContact OG-N 3.16Å; S639-E642 PolarHBondContact OG-N 2.94Å; S639-E642 VanDerWaalsContact OG-N 3.14Å
640	V	62.4	Low	65.5	Low	55 Å²	55	114.8 Å²	114.8	33%	0.333	62%	0.615	S	S	.	*	S	Bend	trans	-83.1	-19.1	169.2	-177.6	0	0	0	0	111	L678	V640-L678 HydrophobicContact CG2-CD1 3.94Å
641	H	59.7	Low	67.2	Low	125 Å²	125	109 Å²	109	58%	0.579	58%	0.578	S	S	*	*	S	Bend	trans	-113.2	-11.7	-169.9	-52.9	122.6	0	0	0	113.9	S639	S639-H641 VanDerWaalsContact C-N 3.35Å; S639-H641 PolarHBondContact OG-N 3.16Å; S639-H641 VanDerWaalsContact OG-N 3.16Å
642	E	67.6	Low	68.8	Low	147 Å²	147	104.4 Å²	104.4	69%	0.687	56%	0.558	S	S	*	*	S	Bend	trans	-120.7	134.3	178.3	-59.8	176.1	132.4	0	0	109.9	S639	S639-E642 PolarHBondContact OG-N 2.94Å; S639-E642 VanDerWaalsContact OG-N 3.14Å
643	E	71.2	Confident	70.3	Confident	111 Å²	111	103.5 Å²	103.5	52%	0.519	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-67.8	139	176.3	-66.2	176.6	-157.5	0	0	111.7	S645 R651 K661	E643-S645 PolarHBondContact O-N 2.83Å; E643-R651 IonicContact OE2-CZ 3.57Å; E643-R651 IonicContact OE2-NH2 2.67Å; E643-R651 PolarHBondContact OE2-NH2 2.79Å; E643-K661 WeakPolarHBondContact OE1-CE 3.41Å; E643-K661 IonicContact OE1-NZ 3.43Å; E643-K661 PolarHBondContact OE1-NZ 3.32Å; E643-K661 WeakPolarHBondContact OE2-CD 3.21Å; E643-K661 VanDerWaalsContact OE2-CE 3.31Å; E643-K661 WeakPolarHBondContact OE2-CE 3.3Å; E643-K661 IonicContact OE2-NZ 2.69Å; E643-K661 PolarHBondContact OE2-NZ 3.08Å
644	I	75.8	Confident	71.8	Confident	108 Å²	108	95.9 Å²	95.9	55%	0.554	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-49.9	125.9	166.6	-59.3	171.6	0	0	0	109.1	N648 R651	I644-N648 HydrophobicContact CG2-CB 3.66Å; I644-R651 PolarHBondContact O-NE 3.43Å; I644-R651 PolarHBondContact O-NH2 3.25Å
645	S	75.4	Confident	73.4	Confident	58 Å²	58	93 Å²	93	41%	0.406	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-67.8	160.8	-170.4	78	0	0	0	0	114.1	E643 V647 N648	E643-S645 PolarHBondContact O-N 2.83Å; S645-V647 PolarHBondContact O-N 3.08Å; S645-V647 PolarHBondContact OG-N 2.97Å; S645-N648 WeakPolarHBondContact O-CB 3.34Å; S645-N648 PolarHBondContact O-N 3.31Å
646	E	77.6	Confident	74.6	Confident	134 Å²	134	97.3 Å²	97.3	63%	0.626	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.4	173.7	-69.8	177.2	-165.7	0	0	113.7	R651 K652	E646-R651 VanDerWaalsContact CG-NH1 3.34Å; E646-R651 IonicContact OE1-NH1 2.57Å; E646-R651 PolarHBondContact OE1-NH1 2.9Å; E646-K652 WeakPolarHBondContact O-CE 3.45Å; E646-K652 PolarHBondContact O-NZ 3.39Å
647	V	81.1	Confident	75.7	Confident	118 Å²	118	100.9 Å²	100.9	72%	0.715	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-38	173.2	-174.3	0	0	0	0	110.5	S645 K652	S645-V647 PolarHBondContact O-N 3.08Å; S645-V647 PolarHBondContact OG-N 2.97Å; V647-K652 PolarHBondContact O-NZ 3.17Å
648	N	80.8	Confident	76.4	Confident	33 Å²	33	97.6 Å²	97.6	18%	0.176	52%	0.521	C	S	.	.	S	Bend	trans	-61.5	136.4	-170.7	-173.2	-80	0	0	0	113.4	D635 I644 S645 G650 R651 K652	D635-N648 PolarHBondContact OD1-ND2 2.64Å; D635-N648 PolarHBondContact OD2-ND2 3.41Å; D635-N648 VanDerWaalsContact OD2-ND2 3.15Å; I644-N648 HydrophobicContact CG2-CB 3.66Å; S645-N648 WeakPolarHBondContact O-CB 3.34Å; S645-N648 PolarHBondContact O-N 3.31Å; N648-G650 VanDerWaalsContact C-N 3.29Å; N648-G650 PolarHBondContact O-N 3.45Å; N648-G650 WeakPolarHBondContact OD1-CA 3.32Å; N648-G650 PolarHBondContact OD1-N 3.08Å; N648-R651 PolarHBondContact O-N 2.97Å; N648-K652 PolarHBondContact O-N 3.07Å
649	K	83.3	Confident	77.5	Confident	184 Å²	184	95.7 Å²	95.7	80%	0.8	49%	0.492	S	S	*	.	H	α-helix	trans	-65.9	-29.5	-176.2	-64.9	172.6	-176.2	168.3	0	112.8	M653	K649-M653 PolarHBondContact O-N 3.14Å; K649-M653 VanDerWaalsContact O-N 3.13Å
650	G	82	Confident	78.3	Confident	33 Å²	33	98.6 Å²	98.6	34%	0.34	50%	0.498	S	S	.	.	H	α-helix	trans	-66.4	-48.1	177.4	0	0	0	0	0	112.6	N648 K652 M653 L654	N648-G650 VanDerWaalsContact C-N 3.29Å; N648-G650 PolarHBondContact O-N 3.45Å; N648-G650 WeakPolarHBondContact OD1-CA 3.32Å; N648-G650 PolarHBondContact OD1-N 3.08Å; G650-K652 PolarHBondContact O-N 2.98Å; G650-M653 WeakPolarHBondContact O-CB 3.47Å; G650-M653 PolarHBondContact O-N 3.42Å; G650-L654 WeakPolarHBondContact O-CG 3.45Å; G650-L654 PolarHBondContact O-N 2.81Å
651	R	83.3	Confident	79.1	Confident	18 Å²	18	102 Å²	102	7%	0.068	51%	0.509	C	S	.	.	H	α-helix	trans	-57.5	-49.4	176.6	-167.5	-159.7	-92.4	-135	-3.9	110.8	E643 I644 E646 N648 M653 L654 E655 W659	E643-R651 IonicContact OE2-CZ 3.57Å; E643-R651 IonicContact OE2-NH2 2.67Å; E643-R651 PolarHBondContact OE2-NH2 2.79Å; I644-R651 PolarHBondContact O-NE 3.43Å; I644-R651 PolarHBondContact O-NH2 3.25Å; E646-R651 VanDerWaalsContact CG-NH1 3.34Å; E646-R651 IonicContact OE1-NH1 2.57Å; E646-R651 PolarHBondContact OE1-NH1 2.9Å; N648-R651 PolarHBondContact O-N 2.97Å; R651-M653 PolarHBondContact O-N 2.73Å; R651-L654 PolarHBondContact O-N 3.21Å; R651-L654 VanDerWaalsContact O-N 3.11Å; R651-E655 WeakPolarHBondContact CD-OE1 3.43Å; R651-E655 HydrophobicContact CG-CG 4.46Å; R651-E655 WeakPolarHBondContact CG-OE1 3.37Å; R651-E655 WeakPolarHBondContact O-CG 3.5Å; R651-E655 PolarHBondContact O-N 2.93Å; R651-W659 HydrophobicContact CG-CZ3 3.98Å
652	K	84.9	Confident	79.9	Confident	97 Å²	97	98.5 Å²	98.5	42%	0.422	51%	0.506	S	S	.	.	H	α-helix	trans	-59.1	-27.3	176.6	-68.3	-173.8	170.8	86.4	0	114.1	E646 V647 N648 G650 K656	E646-K652 WeakPolarHBondContact O-CE 3.45Å; E646-K652 PolarHBondContact O-NZ 3.39Å; V647-K652 PolarHBondContact O-NZ 3.17Å; N648-K652 PolarHBondContact O-N 3.07Å; G650-K652 PolarHBondContact O-N 2.98Å; K652-K656 WeakPolarHBondContact O-CG 3.32Å; K652-K656 PolarHBondContact O-N 2.92Å
653	M	84.3	Confident	80.4	Confident	127 Å²	127	95.1 Å²	95.1	63%	0.626	49%	0.49	S	S	*	.	H	α-helix	trans	-78.3	-43.5	174.8	-171.8	-180	-69.1	0	0	111.4	K649 G650 R651 E655 K656 M657	K649-M653 PolarHBondContact O-N 3.14Å; K649-M653 VanDerWaalsContact O-N 3.13Å; G650-M653 WeakPolarHBondContact O-CB 3.47Å; G650-M653 PolarHBondContact O-N 3.42Å; R651-M653 PolarHBondContact O-N 2.73Å; M653-E655 VanDerWaalsContact C-N 3.35Å; M653-E655 PolarHBondContact O-N 3.2Å; M653-K656 PolarHBondContact O-N 3.15Å; M653-M657 WeakPolarHBondContact O-CG 3.37Å; M653-M657 PolarHBondContact O-N 3.18Å
654	L	83.9	Confident	80.7	Confident	74 Å²	74	90 Å²	90	39%	0.387	47%	0.467	S	S	.	.	H	α-helix	trans	-61.7	-42.5	176.1	-66.7	170.2	0	0	0	111.6	G650 R651 K656 M657 G658 W659 L665	G650-L654 WeakPolarHBondContact O-CG 3.45Å; G650-L654 PolarHBondContact O-N 2.81Å; R651-L654 PolarHBondContact O-N 3.21Å; R651-L654 VanDerWaalsContact O-N 3.11Å; L654-K656 PolarHBondContact O-N 3.12Å; L654-M657 CarbonylContact O-C 3.59Å; L654-M657 WeakPolarHBondContact O-CA 3.46Å; L654-M657 PolarHBondContact O-N 3.07Å; L654-G658 PolarHBondContact O-N 3.05Å; L654-W659 HydrophobicContact CB-CB 4.06Å; L654-W659 HydrophobicContact CB-CD2 4.45Å; L654-W659 HydrophobicContact CB-CE3 4.15Å; L654-W659 HydrophobicContact CB-CG 4.45Å; L654-W659 VanDerWaalsContact O-CB 3.32Å; L654-W659 WeakPolarHBondContact O-CB 3.4Å; L654-W659 PolarHBondContact O-N 3.08Å; L654-L665 HydrophobicContact CD2-CD1 4.04Å
655	E	85.3	Confident	80.8	Confident	80 Å²	80	89.9 Å²	89.9	37%	0.374	47%	0.467	S	S	.	.	H	α-helix	trans	-58.7	-44.2	174.7	-72.1	166.4	172.5	0	0	112	R651 M653 M657 G658 W659	R651-E655 WeakPolarHBondContact CD-OE1 3.43Å; R651-E655 HydrophobicContact CG-CG 4.46Å; R651-E655 WeakPolarHBondContact CG-OE1 3.37Å; R651-E655 WeakPolarHBondContact O-CG 3.5Å; R651-E655 PolarHBondContact O-N 2.93Å; M653-E655 VanDerWaalsContact C-N 3.35Å; M653-E655 PolarHBondContact O-N 3.2Å; E655-M657 PolarHBondContact O-N 2.82Å; E655-G658 PolarHBondContact O-N 3.13Å; E655-W659 WeakPolarHBondContact CA-O 3.46Å; E655-W659 HydrophobicContact CG-CE3 4.26Å
656	K	86	Confident	80.6	Confident	185 Å²	185	89.7 Å²	89.7	80%	0.804	47%	0.474	S	S	*	.	H	α-helix	trans	-65.5	-25.2	173.8	-75.9	179.4	177.4	-173.3	0	113.7	K652 M653 L654 G658	K652-K656 WeakPolarHBondContact O-CG 3.32Å; K652-K656 PolarHBondContact O-N 2.92Å; M653-K656 PolarHBondContact O-N 3.15Å; L654-K656 PolarHBondContact O-N 3.12Å; K656-G658 VanDerWaalsContact C-N 3.26Å
657	M	79.7	Confident	80.3	Confident	154 Å²	154	93.7 Å²	93.7	76%	0.759	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	11.2	173.2	-63.5	-61.7	174.8	0	0	113	M653 L654 E655	M653-M657 WeakPolarHBondContact O-CG 3.37Å; M653-M657 PolarHBondContact O-N 3.18Å; L654-M657 CarbonylContact O-C 3.59Å; L654-M657 WeakPolarHBondContact O-CA 3.46Å; L654-M657 PolarHBondContact O-N 3.07Å; E655-M657 PolarHBondContact O-N 2.82Å
658	G	76.6	Confident	80	Confident	54 Å²	54	94.3 Å²	94.3	56%	0.557	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	7.2	172.6	0	0	0	0	0	115.4	L654 E655 K656	L654-G658 PolarHBondContact O-N 3.05Å; E655-G658 PolarHBondContact O-N 3.13Å; K656-G658 VanDerWaalsContact C-N 3.26Å
659	W	83.4	Confident	79.6	Confident	62 Å²	62	94.1 Å²	94.1	24%	0.235	49%	0.49	C	S	.	.			trans	-71.5	147.2	168.2	-178.2	71.1	0	0	0	110.8	R651 L654 E655 K661 E663 L665	R651-W659 HydrophobicContact CG-CZ3 3.98Å; L654-W659 HydrophobicContact CB-CB 4.06Å; L654-W659 HydrophobicContact CB-CD2 4.45Å; L654-W659 HydrophobicContact CB-CE3 4.15Å; L654-W659 HydrophobicContact CB-CG 4.45Å; L654-W659 VanDerWaalsContact O-CB 3.32Å; L654-W659 WeakPolarHBondContact O-CB 3.4Å; L654-W659 PolarHBondContact O-N 3.08Å; E655-W659 WeakPolarHBondContact CA-O 3.46Å; E655-W659 HydrophobicContact CG-CE3 4.26Å; W659-K661 HydrophobicContact CH2-CB 4.39Å; W659-E663 PolarHBondContact NE1-O 3.35Å; W659-L665 HydrophobicContact CB-CD1 4.02Å; W659-L665 HydrophobicContact CG-CD1 4.16Å
660	K	81	Confident	79.2	Confident	114 Å²	114	94.2 Å²	94.2	50%	0.496	49%	0.486	S	S	.	.			trans	-132.3	149.7	170.1	-50.4	-167.5	-150.2	80.6	0	110	G662 E663	K660-G662 PolarHBondContact O-N 3.15Å; K660-G662 VanDerWaalsContact O-N 3.15Å; K660-E663 HydrophobicContact CB-CB 4.32Å; K660-E663 HydrophobicContact CB-CG 4.27Å; K660-E663 WeakPolarHBondContact CG-OE2 3.43Å; K660-E663 IonicContact NZ-OE1 3.57Å; K660-E663 PolarHBondContact NZ-OE1 3.38Å; K660-E663 IonicContact NZ-OE2 2.74Å; K660-E663 PolarHBondContact NZ-OE2 2.99Å; K660-E663 PolarHBondContact O-N 2.76Å
661	K	79.5	Confident	78.8	Confident	127 Å²	127	93.8 Å²	93.8	55%	0.552	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	119.4	171.4	174.9	168.6	172.6	154.9	0	110.5	E643 W659	E643-K661 WeakPolarHBondContact OE1-CE 3.41Å; E643-K661 IonicContact OE1-NZ 3.43Å; E643-K661 PolarHBondContact OE1-NZ 3.32Å; E643-K661 WeakPolarHBondContact OE2-CD 3.21Å; E643-K661 VanDerWaalsContact OE2-CE 3.31Å; E643-K661 WeakPolarHBondContact OE2-CE 3.3Å; E643-K661 IonicContact OE2-NZ 2.69Å; E643-K661 PolarHBondContact OE2-NZ 3.08Å; W659-K661 HydrophobicContact CH2-CB 4.39Å
662	G	76.1	Confident	78.3	Confident	51 Å²	51	99.7 Å²	99.7	53%	0.526	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-0.7	-177.3	0	0	0	0	0	115.9	K660 K673	K660-G662 PolarHBondContact O-N 3.15Å; K660-G662 VanDerWaalsContact O-N 3.15Å; G662-K673 WeakPolarHBondContact O-CD 3.45Å; G662-K673 WeakPolarHBondContact O-CE 3.38Å; G662-K673 PolarHBondContact O-NZ 3.03Å
663	E	77.9	Confident	77.8	Confident	75 Å²	75	101.3 Å²	101.3	35%	0.35	52%	0.519	S	S	.	.	S	Bend	trans	-104	149.2	169.7	-68.8	-179.5	178.5	0	0	111	W659 K660	W659-E663 PolarHBondContact NE1-O 3.35Å; K660-E663 HydrophobicContact CB-CB 4.32Å; K660-E663 HydrophobicContact CB-CG 4.27Å; K660-E663 WeakPolarHBondContact CG-OE2 3.43Å; K660-E663 IonicContact NZ-OE1 3.57Å; K660-E663 PolarHBondContact NZ-OE1 3.38Å; K660-E663 IonicContact NZ-OE2 2.74Å; K660-E663 PolarHBondContact NZ-OE2 2.99Å; K660-E663 PolarHBondContact O-N 2.76Å
664	G	78	Confident	77.1	Confident	4 Å²	4	101.2 Å²	101.2	4%	0.041	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-78.2	145.9	177	0	0	0	0	0	111.2	G669 G671	G664-G669 WeakPolarHBondContact CA-O 3.43Å; G664-G669 PolarHBondContact N-O 3Å; G664-G669 WeakPolarHBondContact O-CA 3.39Å; G664-G671 VanDerWaalsContact CA-O 3.3Å; G664-G671 WeakPolarHBondContact CA-O 3.43Å
665	L	76.3	Confident	76.4	Confident	106 Å²	106	102.2 Å²	102.2	56%	0.555	53%	0.532	S	S	*	.	S	Bend	trans	-60.5	139.5	178.2	-161.4	75.1	0	0	0	112.2	L654 W659 G671	L654-L665 HydrophobicContact CD2-CD1 4.04Å; W659-L665 HydrophobicContact CB-CD1 4.02Å; W659-L665 HydrophobicContact CG-CD1 4.16Å; L665-G671 VanDerWaalsContact O-CA 3.28Å; L665-G671 WeakPolarHBondContact O-CA 3.45Å; L665-G671 PolarHBondContact O-N 3.49Å; L665-G671 VanDerWaalsContact O-N 3.17Å
666	G	71.8	Confident	75.8	Confident	53 Å²	53	104.3 Å²	104.3	55%	0.546	54%	0.544	S	S	.	.	S	Bend	trans	111.5	163.4	172.1	0	0	0	0	0	115	E668 G669	G666-E668 PolarHBondContact O-N 3.18Å; G666-G669 PolarHBondContact O-N 3.18Å
667	K	71.4	Confident	74.8	Confident	219 Å²	219	102 Å²	102	95%	0.952	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.2	-167.8	-172.8	177	178	-177	0	116
668	E	75.6	Confident	74.1	Confident	130 Å²	130	99 Å²	99	61%	0.607	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	15.7	-178.7	-64.4	179.6	-99.1	0	0	112.9	G666 R670	G666-E668 PolarHBondContact O-N 3.18Å; E668-R670 PolarHBondContact O-N 2.94Å; E668-R670 IonicContact OE1-CZ 3.64Å; E668-R670 IonicContact OE1-NH1 2.67Å; E668-R670 IonicContact OE1-NH2 3.77Å; E668-R670 PolarHBondContact OE1-NH2 3.05Å; E668-R670 IonicContact OE2-CZ 3.53Å; E668-R670 IonicContact OE2-NH1 3.76Å; E668-R670 PolarHBondContact OE2-NH1 3.04Å; E668-R670 IonicContact OE2-NH2 2.7Å; E668-R670 PolarHBondContact OE2-NH2 3.34Å
669	G	70.9	Confident	73.7	Confident	29 Å²	29	102.9 Å²	102.9	30%	0.299	53%	0.525	S	S	.	.	S	Bend	trans	66.4	2.7	177.7	0	0	0	0	0	115.9	G664 G666 G671	G664-G669 WeakPolarHBondContact CA-O 3.43Å; G664-G669 PolarHBondContact N-O 3Å; G664-G669 WeakPolarHBondContact O-CA 3.39Å; G666-G669 PolarHBondContact O-N 3.18Å; G669-G671 VanDerWaalsContact C-N 3.27Å; G669-G671 PolarHBondContact O-N 2.93Å
670	R	74.6	Confident	73.1	Confident	186 Å²	186	103.1 Å²	103.1	70%	0.702	53%	0.53	S	S	*	.			trans	-76.5	2.3	-175.4	-73.6	-158.6	-65	-87.3	-6.7	115.5	E668	E668-R670 PolarHBondContact O-N 2.94Å; E668-R670 IonicContact OE1-CZ 3.64Å; E668-R670 IonicContact OE1-NH1 2.67Å; E668-R670 IonicContact OE1-NH2 3.77Å; E668-R670 PolarHBondContact OE1-NH2 3.05Å; E668-R670 IonicContact OE2-CZ 3.53Å; E668-R670 IonicContact OE2-NH1 3.76Å; E668-R670 PolarHBondContact OE2-NH1 3.04Å; E668-R670 IonicContact OE2-NH2 2.7Å; E668-R670 PolarHBondContact OE2-NH2 3.34Å
671	G	74.6	Confident	72.3	Confident	25 Å²	25	103.9 Å²	103.9	26%	0.258	53%	0.529	S	S	.	.	S	Bend	trans	-61.4	160.8	171.2	0	0	0	0	0	112	G664 L665 G669 K673	G664-G671 VanDerWaalsContact CA-O 3.3Å; G664-G671 WeakPolarHBondContact CA-O 3.43Å; L665-G671 VanDerWaalsContact O-CA 3.28Å; L665-G671 WeakPolarHBondContact O-CA 3.45Å; L665-G671 PolarHBondContact O-N 3.49Å; L665-G671 VanDerWaalsContact O-N 3.17Å; G669-G671 VanDerWaalsContact C-N 3.27Å; G669-G671 PolarHBondContact O-N 2.93Å; G671-K673 PolarHBondContact O-N 3.46Å
672	M	73.4	Confident	71.7	Confident	142 Å²	142	104 Å²	104	70%	0.7	53%	0.53	S	S	*	.			trans	-64.7	132.8	174.2	-163.2	154.2	61.8	0	0	109.5	I676	M672-I676 HydrophobicContact CE-CD1 4.41Å; M672-I676 HydrophobicContact CE-CG1 3.6Å
673	K	73.5	Confident	71	Confident	130 Å²	130	106.9 Å²	106.9	57%	0.565	54%	0.542	S	S	*	.			trans	-90.8	-40.1	-176.8	-67.1	-172.7	171	-143.4	0	112.3	G662 G671	G662-K673 WeakPolarHBondContact O-CD 3.45Å; G662-K673 WeakPolarHBondContact O-CE 3.38Å; G662-K673 PolarHBondContact O-NZ 3.03Å; G671-K673 PolarHBondContact O-N 3.46Å
674	D	69.9	Low	70.3	Confident	125 Å²	125	113.2 Å²	113.2	67%	0.668	57%	0.572	S	S	*	*	S	Bend	trans	-87.3	150.1	-175.6	-47.1	-69.8	0	0	0	110.8
675	P	68.8	Low	69.9	Low	95 Å²	95	114.8 Å²	114.8	62%	0.617	58%	0.582	S	S	*	*			trans	-58.3	153	176.1	-24.9	35	0	0	0	113.4	E677	P675-E677 PolarHBondContact O-N 3.27Å; P675-E677 VanDerWaalsContact O-N 3.1Å
676	I	72.1	Confident	69.3	Low	124 Å²	124	111.6 Å²	111.6	64%	0.636	58%	0.575	S	S	*	*			trans	-69.5	108.7	176.3	-59.9	172.2	0	0	0	109.4	M672 L678	M672-I676 HydrophobicContact CE-CD1 4.41Å; M672-I676 HydrophobicContact CE-CG1 3.6Å; I676-L678 PolarHBondContact O-N 3.25Å
677	E	66	Low	69.1	Low	136 Å²	136	116.9 Å²	116.9	64%	0.636	59%	0.59	S	S	*	*			trans	-57.4	109.2	174.1	-67.5	-176.5	150.7	0	0	111.6	P675 K679	P675-E677 PolarHBondContact O-N 3.27Å; P675-E677 VanDerWaalsContact O-N 3.1Å; E677-K679 PolarHBondContact O-N 3.11Å; E677-K679 WeakPolarHBondContact OE2-CE 3.37Å; E677-K679 IonicContact OE2-NZ 2.79Å; E677-K679 PolarHBondContact OE2-NZ 2.99Å
678	L	65.2	Low	68.8	Low	93 Å²	93	110.1 Å²	110.1	49%	0.487	58%	0.583	S	S	.	*			trans	-73.7	90.3	175.8	-66.7	-177.4	0	0	0	110.9	V640 I676 I680 V695	V640-L678 HydrophobicContact CG2-CD1 3.94Å; I676-L678 PolarHBondContact O-N 3.25Å; L678-I680 VanDerWaalsContact C-N 3.31Å; L678-I680 PolarHBondContact O-N 3.43Å; L678-V695 HydrophobicContact CB-CG2 3.89Å
679	K	67.4	Low	68.2	Low	135 Å²	135	107.7 Å²	107.7	59%	0.587	58%	0.577	S	S	*	*			trans	-75.5	76.5	-179.6	-76.8	178.6	172.9	126.4	0	112.3	E677 V692	E677-K679 PolarHBondContact O-N 3.11Å; E677-K679 WeakPolarHBondContact OE2-CE 3.37Å; E677-K679 IonicContact OE2-NZ 2.79Å; E677-K679 PolarHBondContact OE2-NZ 2.99Å; K679-V692 HydrophobicContact CB-CG1 3.59Å; K679-V692 HydrophobicContact CD-CG1 4.34Å; K679-V692 HydrophobicContact CG-CG1 3.77Å
680	I	70.4	Confident	67.6	Low	67 Å²	67	110.3 Å²	110.3	34%	0.344	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.2	133.8	-179.8	-61.4	170.9	0	0	0	110.3	L678 M693 V695 V698	L678-I680 VanDerWaalsContact C-N 3.31Å; L678-I680 PolarHBondContact O-N 3.43Å; I680-M693 PolarHBondContact O-N 2.91Å; I680-V695 HydrophobicContact CD1-CG2 4.16Å; I680-V698 HydrophobicContact CB-CG2 4.26Å; I680-V698 HydrophobicContact CD1-CG2 3.99Å; I680-V698 HydrophobicContact CG2-CG2 3.98Å
681	R	65.7	Low	67	Low	129 Å²	129	103.4 Å²	103.4	49%	0.487	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.1	150.1	171.2	-64.3	-173.8	-173.2	165	5.1	110.2	L687	R681-L687 VanDerWaalsContact NH1-CD2 3.28Å
682	K	67.1	Low	66.3	Low	129 Å²	129	106 Å²	106	56%	0.561	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-62	141	170.6	-66.2	-176.2	-179.3	179.3	0	110	Q684 S685 M693	K682-Q684 PolarHBondContact O-N 3Å; K682-S685 WeakPolarHBondContact O-CB 3.26Å; K682-S685 PolarHBondContact O-N 3.4Å; K682-S685 VanDerWaalsContact O-N 3.1Å; K682-S685 PolarHBondContact O-OG 2.62Å; K682-M693 HydrophobicContact CD-SD 4.45Å; K682-M693 WeakPolarHBondContact CE-SD 3.39Å
683	S	60.4	Low	65.7	Low	113 Å²	113	102 Å²	102	79%	0.79	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	141.1	172.3	45.3	0	0	0	0	110.4	S685	S683-S685 PolarHBondContact O-N 2.77Å
684	Q	64.3	Low	65	Low	207 Å²	207	98.6 Å²	98.6	97%	0.967	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.2	4.3	-175.1	-50.6	-177.7	-53.4	0	0	116.7	K682 G686	K682-Q684 PolarHBondContact O-N 3Å; Q684-G686 PolarHBondContact O-N 3.41Å
685	S	67.7	Low	64.6	Low	38 Å²	38	94.6 Å²	94.6	27%	0.266	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-78.3	119.3	172	66.7	0	0	0	0	112	K682 S683	K682-S685 WeakPolarHBondContact O-CB 3.26Å; K682-S685 PolarHBondContact O-N 3.4Å; K682-S685 VanDerWaalsContact O-N 3.1Å; K682-S685 PolarHBondContact O-OG 2.62Å; S683-S685 PolarHBondContact O-N 2.77Å
686	G	65.3	Low	64.2	Low	39 Å²	39	94.6 Å²	94.6	40%	0.402	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-68.1	156.2	-173.4	0	0	0	0	0	114.6	Q684 G688 T689	Q684-G686 PolarHBondContact O-N 3.41Å; G686-G688 PolarHBondContact O-N 3.16Å; G686-G688 VanDerWaalsContact O-N 3.12Å; G686-T689 PolarHBondContact O-N 2.88Å; G686-T689 VanDerWaalsContact O-N 3.08Å; G686-T689 PolarHBondContact O-OG1 3.14Å
687	L	67.3	Low	63.5	Low	163 Å²	163	92 Å²	92	85%	0.853	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	117.7	170.7	-82.3	154.2	0	0	0	110.1	R681	R681-L687 VanDerWaalsContact NH1-CD2 3.28Å
688	G	64.3	Low	63	Low	78 Å²	78	88.3 Å²	88.3	80%	0.804	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.7	-15.2	-176.9	0	0	0	0	0	115.2	G686 G690	G686-G688 PolarHBondContact O-N 3.16Å; G686-G688 VanDerWaalsContact O-N 3.12Å; G688-G690 PolarHBondContact O-N 2.93Å
689	T	63.2	Low	62.4	Low	78 Å²	78	87 Å²	87	48%	0.479	52%	0.522	S	S	.	.			trans	-80.6	114.3	174.8	57.8	0	0	0	0	110.7	G686 G691	G686-T689 PolarHBondContact O-N 2.88Å; G686-T689 VanDerWaalsContact O-N 3.08Å; G686-T689 PolarHBondContact O-OG1 3.14Å; T689-G691 PolarHBondContact O-N 2.63Å
690	G	58.6	Low	61.7	Low	85 Å²	85	84 Å²	84	88%	0.876	52%	0.521	S	S	*	.			trans	-72	30.2	-170.8	0	0	0	0	0	117.4	G688 V692	G688-G690 PolarHBondContact O-N 2.93Å; G690-V692 PolarHBondContact O-N 3.41Å
691	G	61.6	Low	60.8	Low	40 Å²	40	85.5 Å²	85.5	41%	0.412	53%	0.534	S	S	.	.			trans	-97.7	74.4	-179.5	0	0	0	0	0	113.1	T689	T689-G691 PolarHBondContact O-N 2.63Å
692	V	59.9	Low	60.5	Low	79 Å²	79	84.3 Å²	84.3	48%	0.479	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.4	171.2	-174.2	0	0	0	0	109.3	K679 G690	K679-V692 HydrophobicContact CB-CG1 3.59Å; K679-V692 HydrophobicContact CD-CG1 4.34Å; K679-V692 HydrophobicContact CG-CG1 3.77Å; G690-V692 PolarHBondContact O-N 3.41Å
693	M	60.7	Low	60.3	Low	60 Å²	60	81.7 Å²	81.7	30%	0.296	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	160.9	175.4	-61.7	-149.9	79.2	0	0	111.8	I680 K682 D697	I680-M693 PolarHBondContact O-N 2.91Å; K682-M693 HydrophobicContact CD-SD 4.45Å; K682-M693 WeakPolarHBondContact CE-SD 3.39Å; M693-D697 HydrophobicContact CB-CB 4.09Å; M693-D697 HydrophobicContact CE-CB 3.58Å; M693-D697 VanDerWaalsContact CE-CG 3.42Å; M693-D697 HydrophobicContact SD-CB 4.14Å
694	S	60	Low	60.7	Low	57 Å²	57	85.3 Å²	85.3	40%	0.399	53%	0.529	S	S	.	.			trans	-70.9	161.9	170.5	-168.5	0	0	0	0	110.6	D696 D697	S694-D696 PolarHBondContact O-N 2.93Å; S694-D696 PolarHBondContact OG-OD2 2.95Å; S694-D697 WeakPolarHBondContact CB-OD2 3.31Å; S694-D697 PolarHBondContact N-OD2 3.15Å; S694-D697 PolarHBondContact O-N 2.83Å
695	V	61.2	Low	60.5	Low	42 Å²	42	78.6 Å²	78.6	26%	0.255	51%	0.505	S	S	.	.	H	α-helix	trans	-61.3	-35.4	171.2	-177.6	0	0	0	0	110.5	L678 I680 D697 V698	L678-V695 HydrophobicContact CB-CG2 3.89Å; I680-V695 HydrophobicContact CD1-CG2 4.16Å; V695-D697 PolarHBondContact O-N 3.36Å; V695-V698 WeakPolarHBondContact O-CB 3.24Å; V695-V698 PolarHBondContact O-N 2.97Å
696	D	59.1	Low	60.8	Low	94 Å²	94	80.5 Å²	80.5	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-61.4	-42.3	178.7	-51.2	-71.1	0	0	0	112.6	S694 V698 S699	S694-D696 PolarHBondContact O-N 2.93Å; S694-D696 PolarHBondContact OG-OD2 2.95Å; D696-V698 PolarHBondContact O-N 3.17Å; D696-S699 VanDerWaalsContact O-CB 3.31Å; D696-S699 WeakPolarHBondContact O-CB 3.39Å; D696-S699 PolarHBondContact O-N 3.41Å; D696-S699 PolarHBondContact O-OG 2.92Å
697	D	57.7	Low	61.3	Low	71 Å²	71	83.3 Å²	83.3	38%	0.38	51%	0.511	S	S	.	.	H	α-helix	trans	-60.5	-33	178.8	-66.6	-60.4	0	0	0	112.1	M693 S694 V695 S699 A700	M693-D697 HydrophobicContact CB-CB 4.09Å; M693-D697 HydrophobicContact CE-CB 3.58Å; M693-D697 VanDerWaalsContact CE-CG 3.42Å; M693-D697 HydrophobicContact SD-CB 4.14Å; S694-D697 WeakPolarHBondContact CB-OD2 3.31Å; S694-D697 PolarHBondContact N-OD2 3.15Å; S694-D697 PolarHBondContact O-N 2.83Å; V695-D697 PolarHBondContact O-N 3.36Å; D697-S699 PolarHBondContact O-N 2.83Å; D697-A700 PolarHBondContact O-N 3.41Å
698	V	55.8	Low	61.8	Low	57 Å²	57	81.1 Å²	81.1	35%	0.345	50%	0.5	S	S	.	.	H	α-helix	trans	-63.5	-34.1	179	-176.4	0	0	0	0	110.5	I680 V695 D696 A700 T701	I680-V698 HydrophobicContact CB-CG2 4.26Å; I680-V698 HydrophobicContact CD1-CG2 3.99Å; I680-V698 HydrophobicContact CG2-CG2 3.98Å; V695-V698 WeakPolarHBondContact O-CB 3.24Å; V695-V698 PolarHBondContact O-N 2.97Å; D696-V698 PolarHBondContact O-N 3.17Å; V698-A700 VanDerWaalsContact C-N 3.31Å; V698-A700 PolarHBondContact O-N 2.89Å; V698-T701 PolarHBondContact O-N 3.35Å; V698-T701 VanDerWaalsContact O-N 3.11Å; V698-T701 PolarHBondContact O-OG1 3.04Å
699	S	53.5	Low	62.2	Low	67 Å²	67	86.2 Å²	86.2	47%	0.469	50%	0.495	S	S	.	.	H	α-helix	trans	-60	-38.5	177.6	79	0	0	0	0	112.7	D696 D697 T701 R702	D696-S699 VanDerWaalsContact O-CB 3.31Å; D696-S699 WeakPolarHBondContact O-CB 3.39Å; D696-S699 PolarHBondContact O-N 3.41Å; D696-S699 PolarHBondContact O-OG 2.92Å; D697-S699 PolarHBondContact O-N 2.83Å; S699-T701 VanDerWaalsContact C-N 3.28Å; S699-T701 PolarHBondContact O-N 3.23Å; S699-R702 WeakPolarHBondContact O-CB 3.36Å; S699-R702 WeakPolarHBondContact O-CD 3.36Å; S699-R702 WeakPolarHBondContact O-CG 3.42Å; S699-R702 PolarHBondContact O-N 3.49Å
700	A	52.2	Low	62.9	Low	70 Å²	70	85.3 Å²	85.3	58%	0.579	49%	0.485	S	S	*	.	H	α-helix	trans	-64.7	-34.2	177.7	0	0	0	0	0	112.1	D697 V698 R702 K707	D697-A700 PolarHBondContact O-N 3.41Å; V698-A700 VanDerWaalsContact C-N 3.31Å; V698-A700 PolarHBondContact O-N 2.89Å; A700-R702 PolarHBondContact O-N 3.06Å; A700-K707 PolarHBondContact O-NZ 3.24Å; A700-K707 VanDerWaalsContact O-NZ 3.08Å
701	T	52.1	Low	64	Low	100 Å²	100	86.8 Å²	86.8	61%	0.613	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	3.8	-177.9	69.6	0	0	0	0	115.2	V698 S699 S703	V698-T701 PolarHBondContact O-N 3.35Å; V698-T701 VanDerWaalsContact O-N 3.11Å; V698-T701 PolarHBondContact O-OG1 3.04Å; S699-T701 VanDerWaalsContact C-N 3.28Å; S699-T701 PolarHBondContact O-N 3.23Å; T701-S703 PolarHBondContact O-N 2.69Å
702	R	59.2	Low	64.7	Low	104 Å²	104	86.9 Å²	86.9	39%	0.392	46%	0.464	S	S	.	.			trans	-47.8	129.3	175.2	-82.3	170.3	175.9	-171.9	1.3	112.8	S699 A700 H706 K707 E710	S699-R702 WeakPolarHBondContact O-CB 3.36Å; S699-R702 WeakPolarHBondContact O-CD 3.36Å; S699-R702 WeakPolarHBondContact O-CG 3.42Å; S699-R702 PolarHBondContact O-N 3.49Å; A700-R702 PolarHBondContact O-N 3.06Å; R702-H706 HydrophobicContact CB-CB 4.29Å; R702-H706 VanDerWaalsContact CZ-CE1 3.5Å; R702-K707 HydrophobicContact CB-CG 4.43Å; R702-K707 WeakPolarHBondContact O-CE 3.46Å; R702-K707 PolarHBondContact O-NZ 3.04Å; R702-E710 IonicContact CZ-OE1 3.42Å; R702-E710 IonicContact CZ-OE2 2.71Å; R702-E710 IonicContact NH1-OE1 2.84Å; R702-E710 PolarHBondContact NH1-OE1 2.8Å; R702-E710 IonicContact NH1-OE2 3.36Å; R702-E710 PolarHBondContact NH1-OE2 2.78Å
703	S	62.8	Low	65.7	Low	73 Å²	73	92 Å²	92	51%	0.51	48%	0.475	S	S	.	.			trans	-63.7	161.2	-176.2	81.4	0	0	0	0	112.6	T701 S705 H706 K707	T701-S703 PolarHBondContact O-N 2.69Å; S703-S705 PolarHBondContact O-N 3.41Å; S703-S705 VanDerWaalsContact O-N 3.15Å; S703-S705 PolarHBondContact OG-N 2.96Å; S703-H706 PolarHBondContact O-N 3.42Å; S703-H706 VanDerWaalsContact O-N 3.11Å; S703-H706 PolarHBondContact OG-N 3.45Å; S703-K707 PolarHBondContact O-N 2.93Å; S703-K707 VanDerWaalsContact O-N 3.16Å
704	K	69.1	Low	66.6	Low	189 Å²	189	94.4 Å²	94.4	82%	0.822	49%	0.486	S	S	*	.	H	α-helix	trans	-57.6	-27.9	176.1	-68.8	-179.5	178	176.9	0	112.9	N708	K704-N708 PolarHBondContact O-N 2.86Å
705	S	59.3	Low	67.6	Low	67 Å²	67	99.5 Å²	99.5	47%	0.469	50%	0.496	S	S	.	.	H	α-helix	trans	-69.4	-47.9	174.9	-177.8	0	0	0	0	111.5	S703 K707 N708 W709	S703-S705 PolarHBondContact O-N 3.41Å; S703-S705 VanDerWaalsContact O-N 3.15Å; S703-S705 PolarHBondContact OG-N 2.96Å; S705-K707 VanDerWaalsContact C-N 3.32Å; S705-K707 PolarHBondContact O-N 2.91Å; S705-N708 WeakPolarHBondContact O-CB 3.46Å; S705-N708 PolarHBondContact O-N 2.91Å; S705-N708 VanDerWaalsContact O-N 3.08Å; S705-W709 VanDerWaalsContact O-CD1 3.31Å; S705-W709 PolarHBondContact O-N 3.27Å
706	H	73.1	Confident	68.5	Low	77 Å²	77	104.2 Å²	104.2	36%	0.356	51%	0.514	S	S	.	.	H	α-helix	trans	-59.5	-43	178.3	-164.5	-68.4	0	0	0	111.8	R702 S703 N708 W709 E710	R702-H706 HydrophobicContact CB-CB 4.29Å; R702-H706 VanDerWaalsContact CZ-CE1 3.5Å; S703-H706 PolarHBondContact O-N 3.42Å; S703-H706 VanDerWaalsContact O-N 3.11Å; S703-H706 PolarHBondContact OG-N 3.45Å; H706-N708 VanDerWaalsContact C-N 3.26Å; H706-N708 PolarHBondContact O-N 3.46Å; H706-W709 PolarHBondContact O-N 3.08Å; H706-W709 VanDerWaalsContact O-N 3.11Å; H706-E710 IonicContact CE1-OE1 2.9Å; H706-E710 IonicContact CE1-OE2 3.99Å; H706-E710 PolarHBondContact CE1-OE2 3.07Å; H706-E710 VanDerWaalsContact ND1-CD 3.29Å; H706-E710 IonicContact ND1-OE1 3.52Å; H706-E710 IonicContact ND1-OE2 3.42Å; H706-E710 PolarHBondContact ND1-OE2 2.88Å; H706-E710 PolarHBondContact O-N 3.22Å
707	K	77.8	Confident	69.3	Low	99 Å²	99	102.4 Å²	102.4	43%	0.43	51%	0.511	S	S	.	.	H	α-helix	trans	-66.7	-24.9	178.2	-66.8	177.4	178.5	168	0	113.1	A700 R702 S703 S705 K711	A700-K707 PolarHBondContact O-NZ 3.24Å; A700-K707 VanDerWaalsContact O-NZ 3.08Å; R702-K707 HydrophobicContact CB-CG 4.43Å; R702-K707 WeakPolarHBondContact O-CE 3.46Å; R702-K707 PolarHBondContact O-NZ 3.04Å; S703-K707 PolarHBondContact O-N 2.93Å; S703-K707 VanDerWaalsContact O-N 3.16Å; S705-K707 VanDerWaalsContact C-N 3.32Å; S705-K707 PolarHBondContact O-N 2.91Å; K707-K711 WeakPolarHBondContact O-CG 3.44Å; K707-K711 PolarHBondContact O-N 2.77Å
708	N	75.9	Confident	69.9	Low	117 Å²	117	104.6 Å²	104.6	63%	0.626	52%	0.523	S	S	*	.	H	α-helix	trans	-77.9	-37.6	169.7	-82.6	5.7	0	0	0	112.4	K704 S705 H706 K711 A712	K704-N708 PolarHBondContact O-N 2.86Å; S705-N708 WeakPolarHBondContact O-CB 3.46Å; S705-N708 PolarHBondContact O-N 2.91Å; S705-N708 VanDerWaalsContact O-N 3.08Å; H706-N708 VanDerWaalsContact C-N 3.26Å; H706-N708 PolarHBondContact O-N 3.46Å; N708-K711 CarbonylContact O-C 3.53Å; N708-K711 PolarHBondContact O-N 3.22Å; N708-A712 PolarHBondContact O-N 2.84Å
709	W	73.2	Confident	70.4	Confident	184 Å²	184	106.1 Å²	106.1	70%	0.697	54%	0.536	S	S	*	.	H	α-helix	trans	-66	-38.4	175.8	-82.2	111.7	0	0	0	112.8	S705 H706 A712 R713	S705-W709 VanDerWaalsContact O-CD1 3.31Å; S705-W709 PolarHBondContact O-N 3.27Å; H706-W709 PolarHBondContact O-N 3.08Å; H706-W709 VanDerWaalsContact O-N 3.11Å; W709-A712 WeakPolarHBondContact O-CB 3.47Å; W709-A712 PolarHBondContact O-N 3.05Å; W709-R713 PolarHBondContact O-N 2.74Å
710	E	77.5	Confident	70.8	Confident	59 Å²	59	106.7 Å²	106.7	28%	0.276	54%	0.539	S	S	.	.	H	α-helix	trans	-63.8	-46.5	173.1	-69	-178.1	113.4	0	0	110.9	R702 H706 A712 R713 E714	R702-E710 IonicContact CZ-OE1 3.42Å; R702-E710 IonicContact CZ-OE2 2.71Å; R702-E710 IonicContact NH1-OE1 2.84Å; R702-E710 PolarHBondContact NH1-OE1 2.8Å; R702-E710 IonicContact NH1-OE2 3.36Å; R702-E710 PolarHBondContact NH1-OE2 2.78Å; H706-E710 IonicContact CE1-OE1 2.9Å; H706-E710 IonicContact CE1-OE2 3.99Å; H706-E710 PolarHBondContact CE1-OE2 3.07Å; H706-E710 VanDerWaalsContact ND1-CD 3.29Å; H706-E710 IonicContact ND1-OE1 3.52Å; H706-E710 IonicContact ND1-OE2 3.42Å; H706-E710 PolarHBondContact ND1-OE2 2.88Å; H706-E710 PolarHBondContact O-N 3.22Å; E710-A712 PolarHBondContact O-N 3.42Å; E710-R713 WeakPolarHBondContact O-CA 3.46Å; E710-R713 WeakPolarHBondContact O-CB 3.31Å; E710-R713 PolarHBondContact O-N 2.79Å; E710-E714 WeakPolarHBondContact O-CG 3.48Å; E710-E714 PolarHBondContact O-N 3.11Å
711	K	82.6	Confident	70.8	Confident	116 Å²	116	110.4 Å²	110.4	50%	0.504	55%	0.545	S	S	.	.	H	α-helix	trans	-64.3	-17.8	172.3	-72.2	-169.5	171.6	-162.7	0	115	K707 N708 E714 R715	K707-K711 WeakPolarHBondContact O-CG 3.44Å; K707-K711 PolarHBondContact O-N 2.77Å; N708-K711 CarbonylContact O-C 3.53Å; N708-K711 PolarHBondContact O-N 3.22Å; K711-E714 WeakPolarHBondContact CA-OE2 3.36Å; K711-E714 WeakPolarHBondContact CG-OE2 3.22Å; K711-R715 WeakPolarHBondContact O-CG 3.02Å; K711-R715 PolarHBondContact O-NH1 2.86Å
712	A	75.9	Confident	70.7	Confident	43 Å²	43	111 Å²	111	36%	0.355	55%	0.551	S	S	.	*	H	α-helix	trans	-80.5	-38.5	170.3	0	0	0	0	0	110.8	N708 W709 E710 F716	N708-A712 PolarHBondContact O-N 2.84Å; W709-A712 WeakPolarHBondContact O-CB 3.47Å; W709-A712 PolarHBondContact O-N 3.05Å; E710-A712 PolarHBondContact O-N 3.42Å; A712-F716 WeakPolarHBondContact O-CB 3.41Å; A712-F716 PolarHBondContact O-N 3.15Å; A712-F716 VanDerWaalsContact O-N 3.08Å
713	R	80.9	Confident	70	Confident	185 Å²	185	113.7 Å²	113.7	70%	0.698	57%	0.572	S	S	*	*	H	α-helix	trans	-69.2	-40.4	176.6	-170.8	178.4	-64.5	173.6	-0	112.9	W709 E710 F716 A717	W709-R713 PolarHBondContact O-N 2.74Å; E710-R713 WeakPolarHBondContact O-CA 3.46Å; E710-R713 WeakPolarHBondContact O-CB 3.31Å; E710-R713 PolarHBondContact O-N 2.79Å; R713-F716 PolarHBondContact O-N 2.69Å; R713-A717 PolarHBondContact O-N 3.25Å
714	E	80.1	Confident	69.5	Low	112 Å²	112	115.7 Å²	115.7	52%	0.523	58%	0.584	S	S	.	*	H	α-helix	trans	-55.7	-55.9	173.3	-71.8	167	168.9	0	0	110.5	E710 K711 F716 A717 D718	E710-E714 WeakPolarHBondContact O-CG 3.48Å; E710-E714 PolarHBondContact O-N 3.11Å; K711-E714 WeakPolarHBondContact CA-OE2 3.36Å; K711-E714 WeakPolarHBondContact CG-OE2 3.22Å; E714-F716 VanDerWaalsContact C-N 3.26Å; E714-F716 PolarHBondContact O-N 3.43Å; E714-A717 WeakPolarHBondContact O-CB 3.49Å; E714-A717 PolarHBondContact O-N 2.76Å; E714-D718 PolarHBondContact O-N 2.75Å
715	R	81.8	Confident	68	Low	164 Å²	164	111.2 Å²	111.2	62%	0.619	58%	0.582	S	S	*	*	H	α-helix	trans	-58.6	-35.6	177.1	-68.7	-179.9	-173.1	106.4	-13.3	113.5	K711 S719	K711-R715 WeakPolarHBondContact O-CG 3.02Å; K711-R715 PolarHBondContact O-NH1 2.86Å; R715-S719 WeakPolarHBondContact O-CB 3.48Å; R715-S719 PolarHBondContact O-N 3.25Å; R715-S719 PolarHBondContact O-OG 3.04Å
716	F	79.6	Confident	67.1	Low	141 Å²	141	114.1 Å²	114.1	62%	0.618	60%	0.599	S	S	*	*	H	α-helix	trans	-66.8	-44.1	176.2	-176.1	-99.5	0	0	0	111.2	A712 R713 E714 S719 C720	A712-F716 WeakPolarHBondContact O-CB 3.41Å; A712-F716 PolarHBondContact O-N 3.15Å; A712-F716 VanDerWaalsContact O-N 3.08Å; R713-F716 PolarHBondContact O-N 2.69Å; E714-F716 VanDerWaalsContact C-N 3.26Å; E714-F716 PolarHBondContact O-N 3.43Å; F716-S719 WeakPolarHBondContact CA-OG 3.5Å; F716-S719 PolarHBondContact O-N 3.2Å; F716-S719 PolarHBondContact O-OG 3.08Å; F716-C720 PolarHBondContact O-N 3.4Å; F716-C720 PolarHBondContact O-SG 3.39Å
717	A	76.1	Confident	65.5	Low	55 Å²	55	114.8 Å²	114.8	46%	0.455	62%	0.618	S	S	.	*	H	α-helix	trans	-63	-44	175.7	0	0	0	0	0	112.1	R713 E714 S719 C720	R713-A717 PolarHBondContact O-N 3.25Å; E714-A717 WeakPolarHBondContact O-CB 3.49Å; E714-A717 PolarHBondContact O-N 2.76Å; A717-S719 VanDerWaalsContact C-N 3.29Å; A717-S719 PolarHBondContact O-N 3.19Å; A717-C720 PolarHBondContact O-N 2.67Å; A717-C720 VanDerWaalsContact O-N 3.08Å
718	D	69.1	Low	63.9	Low	117 Å²	117	119.5 Å²	119.5	63%	0.626	64%	0.642	S	S	*	*	H	α-helix	trans	-57.2	-43.6	173.6	-66.9	-27.2	0	0	0	111.1	E714 C720 Q721	E714-D718 PolarHBondContact O-N 2.75Å; D718-C720 PolarHBondContact O-N 3.26Å; D718-Q721 PolarHBondContact O-N 3.41Å
719	S	66.5	Low	62.1	Low	89 Å²	89	123 Å²	123	62%	0.622	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-4.8	178.1	68.9	0	0	0	0	115.5	R715 F716 A717	R715-S719 WeakPolarHBondContact O-CB 3.48Å; R715-S719 PolarHBondContact O-N 3.25Å; R715-S719 PolarHBondContact O-OG 3.04Å; F716-S719 WeakPolarHBondContact CA-OG 3.5Å; F716-S719 PolarHBondContact O-N 3.2Å; F716-S719 PolarHBondContact O-OG 3.08Å; A717-S719 VanDerWaalsContact C-N 3.29Å; A717-S719 PolarHBondContact O-N 3.19Å
720	C	61.8	Low	60.4	Low	79 Å²	79	119.9 Å²	119.9	53%	0.534	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.1	0.1	177.8	-67.3	0	0	0	0	113.5	F716 A717 D718	F716-C720 PolarHBondContact O-N 3.4Å; F716-C720 PolarHBondContact O-SG 3.39Å; A717-C720 PolarHBondContact O-N 2.67Å; A717-C720 VanDerWaalsContact O-N 3.08Å; D718-C720 PolarHBondContact O-N 3.26Å
721	Q	53.1	Low	58.4	Low	149 Å²	149	125.1 Å²	125.1	70%	0.696	69%	0.688	S	S	*	*	S	Bend	trans	-73.3	127.8	170.7	-65.9	-82.6	-4.4	0	0	109.5	D718	D718-Q721 PolarHBondContact O-N 3.41Å
722	P	50.2	Low	56	Low	113 Å²	113	123.7 Å²	123.7	73%	0.734	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-75.7	128.7	172.2	29.8	-32.5	0	0	0	110.7
723	D	42.9	Very low	53.8	Low	159 Å²	159	134.3 Å²	134.3	85%	0.85	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-57.4	131.3	-179.6	-80.9	-49.3	0	0	0	112.2
724	P	52.3	Low	51.5	Low	116 Å²	116	131.9 Å²	131.9	75%	0.753	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-68.4	135.9	169.5	28.8	-33.3	0	0	0	110.5
725	A	38.3	Very low	49.3	Very low	94 Å²	94	136.3 Å²	136.3	78%	0.777	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-57.6	138.6	-167.9	0	0	0	0	0	114	A727	A725-A727 PolarHBondContact O-N 3.28Å
726	P	41.5	Very low	47	Very low	128 Å²	128	133.4 Å²	133.4	83%	0.831	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-73.1	117.1	-171.4	28.2	-35.1	0	0	0	112.6	Q728	P726-Q728 PolarHBondContact O-N 3.35Å
727	A	38.7	Very low	44.7	Very low	91 Å²	91	133.5 Å²	133.5	75%	0.752	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-68.5	127.5	169.2	0	0	0	0	0	110.9	A725 K729	A725-A727 PolarHBondContact O-N 3.28Å; A727-K729 PolarHBondContact O-N 3.48Å
728	Q	43.9	Very low	42.8	Very low	199 Å²	199	140.4 Å²	140.4	93%	0.93	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-62	127.2	179.8	-68.1	-179.7	-43.8	0	0	111.5	P726	P726-Q728 PolarHBondContact O-N 3.35Å
729	K	37.8	Very low	41	Very low	191 Å²	191	139.2 Å²	139.2	83%	0.83	78%	0.782	S	S	*	*			trans	-127.1	120.9	163.5	-70.8	-173.4	177.8	-179.8	0	109.1	A727	A727-K729 PolarHBondContact O-N 3.48Å
730	S	37.3	Very low	39.4	Very low	118 Å²	118	143.9 Å²	143.9	83%	0.825	79%	0.794	S	S	*	*			trans	-76	119.7	178.9	50.4	0	0	0	0	110.8	A732	S730-A732 PolarHBondContact O-N 3.31Å
731	N	36.1	Very low	38	Very low	169 Å²	169	147.4 Å²	147.4	90%	0.904	81%	0.808	S	S	*	*			trans	-74.8	112.6	171.9	-76.3	-18.6	0	0	0	110.4
732	A	31.6	Very low	37	Very low	85 Å²	85	144.3 Å²	144.3	70%	0.702	80%	0.802	S	S	*	*			trans	-122.8	91	167.3	0	0	0	0	0	109	S730	S730-A732 PolarHBondContact O-N 3.31Å
733	W	31.2	Very low	36.2	Very low	266 Å²	266	146.9 Å²	146.9	100%	1.008	81%	0.805	S	S	*	*			trans	-96.7	98.9	168.8	-105.6	29	0	0	0	108.5
734	V	32.4	Very low	35.7	Very low	135 Å²	135	145.2 Å²	145.2	82%	0.818	80%	0.8	S	S	*	*			trans	-113.5	137.2	167.7	175.9	0	0	0	0	107.4
735	R	33.4	Very low	34.8	Very low	204 Å²	204	143.9 Å²	143.9	77%	0.77	79%	0.794	S	S	*	*			trans	-105.3	121.4	-175.6	-163.6	-172.1	89	-176.5	7.8	110.7	E737	R735-E737 IonicContact CZ-OE1 3.63Å; R735-E737 IonicContact NE-OE1 3.21Å; R735-E737 PolarHBondContact NE-OE1 3.4Å; R735-E737 IonicContact NH2-OE1 2.68Å; R735-E737 PolarHBondContact NH2-OE1 2.68Å
736	S	32.8	Very low	34.7	Very low	103 Å²	103	146.4 Å²	146.4	72%	0.72	79%	0.793	S	S	*	*			trans	-147.9	119.3	162.6	-50	0	0	0	0	104.9
737	E	32.5	Very low	34.4	Very low	144 Å²	144	147.5 Å²	147.5	67%	0.673	79%	0.788	S	S	*	*				67.4	125.1	58.1	-62.5	-180	-167.2	0	0	111.7	R735	R735-E737 IonicContact CZ-OE1 3.63Å; R735-E737 IonicContact NE-OE1 3.21Å; R735-E737 PolarHBondContact NE-OE1 3.4Å; R735-E737 IonicContact NH2-OE1 2.68Å; R735-E737 PolarHBondContact NH2-OE1 2.68Å
738	E	34.8	Very low	34.4	Very low	199 Å²	199	149.6 Å²	149.6	93%	0.93	79%	0.791	S	S	*	*			trans	-98.3	136.2	-158.1	-54.3	169.7	121.9	0	0	111.3
739	A	32.6	Very low	33.9	Very low	93 Å²	93	143.8 Å²	143.8	77%	0.769	79%	0.785	S	S	*	*			trans	-161.9	119.6	156.5	0	0	0	0	0	112.7
740	E	32.3	Very low	33.9	Very low	186 Å²	186	140 Å²	140	87%	0.869	78%	0.783	S	S	*	*			trans	51.9	96.6	132	-60	-172.4	155.4	0	0	121.8
741	D	32.7	Very low	34.1	Very low	154 Å²	154	143.3 Å²	143.3	82%	0.824	79%	0.785	S	S	*	*				100.3	149.3	98.8	-151.8	22.1	0	0	0	121.7
742	S	31	Very low	34.5	Very low	83 Å²	83	144.5 Å²	144.5	58%	0.58	81%	0.806	S	S	*	*			trans	84.4	103	152.6	73.7	0	0	0	0	121.7
743	Q	34.4	Very low	34.7	Very low	168 Å²	168	147.5 Å²	147.5	79%	0.785	81%	0.811	S	S	*	*				84.2	128.1	119.9	-73.9	-173.7	3.4	0	0	123.2
744	T	32.3	Very low	34.8	Very low	123 Å²	123	141.2 Å²	141.2	76%	0.755	80%	0.801	S	S	*	*			trans	70.9	145.5	143.6	58.7	0	0	0	0	118.4
745	S	33.9	Very low	35	Very low	89 Å²	89	141.6 Å²	141.6	62%	0.622	80%	0.8	S	S	*	*			cis	-170.6	154.5	-9.2	-109.5	0	0	0	0	111.8
746	L	35.2	Very low	35.1	Very low	146 Å²	146	137.9 Å²	137.9	76%	0.764	80%	0.802	S	S	*	*			trans	63.3	160.3	149.1	-62.8	166	0	0	0	117.9
747	E	35.7	Very low	35.2	Very low	152 Å²	152	140.1 Å²	140.1	71%	0.71	81%	0.807	S	S	*	*			cis	-168.6	172.6	-29.4	-170.5	170.2	-139.7	0	0	108.6
748	T	38.7	Very low	35.4	Very low	135 Å²	135	139.8 Å²	139.8	83%	0.828	82%	0.816	S	S	*	*			trans	76.1	155.7	166.2	77.6	0	0	0	0	118
749	G	34.2	Very low	35.4	Very low	77 Å²	77	135.6 Å²	135.6	79%	0.794	81%	0.808	S	S	*	*			trans	139.3	25.9	172.1	0	0	0	0	0	118.4
750	S	37.8	Very low	35.7	Very low	112 Å²	112	138.8 Å²	138.8	78%	0.783	81%	0.811	S	S	*	*			trans	-75.3	157.6	-175.2	-52.3	0	0	0	0	115.3
751	Q	41.7	Very low	35.9	Very low	187 Å²	187	134.9 Å²	134.9	87%	0.874	81%	0.806	S	S	*	*			trans	77.4	139.4	170.3	-54.2	175.5	-5.9	0	0	115.4
752	S	43.9	Very low	36.2	Very low	193 Å²	193	133.2 Å²	133.2	100%	1.35	80%	0.804	S	S	*	*			cis	-123.6	0	4.8	-55.6	0	0	0	0	112.5

Retrieved 752 of 752 residues in 150.2 ms (Link to these results)

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