A0A3Q0KTS9_SCHMA Loading...

Cytoplasmic dynein intermediate chain 2, (Dhic-2), putative

AlphaFold DB , UniProt , Accession A0A3Q0KTS9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 646 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	64.9	Low	85	Confident	204 Å²	204	136.9 Å²	136.9	100%	1.005	66%	0.655	S	S	*	*				0	-43.1	0	-74.5	-64.9	-88.6	0	0	112.6	D3 K5	M1-D3 PolarHBondContact O-N 2.82Å; M1-K5 PolarHBondContact O-N 3.01Å
2	S	80.2	Confident	85.6	Confident	96 Å²	96	137.5 Å²	137.5	67%	0.671	65%	0.652	S	S	*	*	H	α-helix	trans	-56.6	-48.1	177.5	-172.4	0	0	0	0	113.4	R4 K5 A6	S2-R4 PolarHBondContact O-N 3.43Å; S2-K5 WeakPolarHBondContact O-CB 3.49Å; S2-K5 PolarHBondContact O-N 3.24Å; S2-K5 VanDerWaalsContact O-N 3.16Å; S2-A6 PolarHBondContact O-N 3.13Å; S2-A6 VanDerWaalsContact O-N 3.11Å
3	D	81.4	Confident	86	Confident	132 Å²	132	131.6 Å²	131.6	71%	0.706	64%	0.641	S	S	*	*	H	α-helix	trans	-67.3	-35.9	-173.7	-52.3	-32.3	0	0	0	113.1	M1 K5 A6 E7	M1-D3 PolarHBondContact O-N 2.82Å; D3-K5 VanDerWaalsContact C-N 3.3Å; D3-K5 PolarHBondContact O-N 2.89Å; D3-A6 PolarHBondContact O-N 3.26Å; D3-E7 PolarHBondContact O-N 3.24Å
4	R	83.7	Confident	86.3	Confident	198 Å²	198	133.8 Å²	133.8	75%	0.747	65%	0.646	S	S	*	*	H	α-helix	trans	-68.2	-31.2	177.6	-151.8	177.5	-172.3	-175.8	2.2	112	S2 L8	S2-R4 PolarHBondContact O-N 3.43Å; R4-L8 WeakPolarHBondContact O-CB 3.49Å; R4-L8 PolarHBondContact O-N 2.85Å
5	K	88.4	Confident	86.4	Confident	147 Å²	147	132.7 Å²	132.7	64%	0.639	64%	0.643	S	S	*	*	H	α-helix	trans	-70.9	-42.5	174	-172.1	-179.3	175.4	-174.9	0	111	M1 S2 D3 E7 L8 E9	M1-K5 PolarHBondContact O-N 3.01Å; S2-K5 WeakPolarHBondContact O-CB 3.49Å; S2-K5 PolarHBondContact O-N 3.24Å; S2-K5 VanDerWaalsContact O-N 3.16Å; D3-K5 VanDerWaalsContact C-N 3.3Å; D3-K5 PolarHBondContact O-N 2.89Å; K5-E7 PolarHBondContact O-N 2.88Å; K5-L8 PolarHBondContact O-N 3.18Å; K5-E9 PolarHBondContact O-N 2.77Å
6	A	88	Confident	86.6	Confident	56 Å²	56	130.9 Å²	130.9	46%	0.463	64%	0.638	S	S	.	*	H	α-helix	trans	-63.5	-39.6	176.8	0	0	0	0	0	112.3	S2 D3 E9 R10	S2-A6 PolarHBondContact O-N 3.13Å; S2-A6 VanDerWaalsContact O-N 3.11Å; D3-A6 PolarHBondContact O-N 3.26Å; A6-E9 PolarHBondContact O-N 3.03Å; A6-R10 WeakPolarHBondContact O-CB 3.48Å; A6-R10 PolarHBondContact O-N 2.81Å
7	E	88	Confident	86.7	Confident	108 Å²	108	126.5 Å²	126.5	51%	0.505	63%	0.627	S	S	.	*	H	α-helix	trans	-65.9	-39.6	177.1	-159.1	-162.1	144.7	0	0	112.2	D3 K5 R10 K11	D3-E7 PolarHBondContact O-N 3.24Å; K5-E7 PolarHBondContact O-N 2.88Å; E7-R10 PolarHBondContact O-N 2.79Å; E7-K11 PolarHBondContact O-N 2.69Å; E7-K11 IonicContact OE1-NZ 3.01Å; E7-K11 PolarHBondContact OE1-NZ 2.89Å
8	L	87.7	Confident	86.9	Confident	99 Å²	99	126.5 Å²	126.5	52%	0.518	63%	0.627	S	S	.	*	H	α-helix	trans	-70.2	-37.1	179.4	-152.3	152.6	0	0	0	111.6	R4 K5 K11 K12	R4-L8 WeakPolarHBondContact O-CB 3.49Å; R4-L8 PolarHBondContact O-N 2.85Å; K5-L8 PolarHBondContact O-N 3.18Å; L8-K11 PolarHBondContact O-N 3.41Å; L8-K12 HydrophobicContact CD2-CD 4.16Å; L8-K12 HydrophobicContact CD2-CG 4.34Å; L8-K12 PolarHBondContact O-N 2.68Å
9	E	90.1	Very high	87.1	Confident	125 Å²	125	130.1 Å²	130.1	58%	0.584	63%	0.633	S	S	*	*	H	α-helix	trans	-62.3	-41.4	169.9	-93.8	177.9	172.7	0	0	112	K5 A6 K11 K12 A13	K5-E9 PolarHBondContact O-N 2.77Å; A6-E9 PolarHBondContact O-N 3.03Å; E9-K11 PolarHBondContact O-N 2.87Å; E9-K12 PolarHBondContact O-N 2.81Å; E9-A13 WeakPolarHBondContact O-CB 3.15Å; E9-A13 PolarHBondContact O-N 2.98Å
10	R	89.8	Confident	87.2	Confident	205 Å²	205	129.6 Å²	129.6	77%	0.774	63%	0.629	S	S	*	*	H	α-helix	trans	-64.6	-39.9	178	-151.5	176.5	-173.6	-174.6	1.7	112	A6 E7 A13 K14	A6-R10 WeakPolarHBondContact O-CB 3.48Å; A6-R10 PolarHBondContact O-N 2.81Å; E7-R10 PolarHBondContact O-N 2.79Å; R10-A13 PolarHBondContact O-N 3.25Å; R10-K14 PolarHBondContact O-N 3.18Å; R10-K14 VanDerWaalsContact O-N 3.08Å
11	K	92.5	Very high	87.2	Confident	136 Å²	136	130 Å²	130	59%	0.591	63%	0.63	S	S	*	*	H	α-helix	trans	-66.3	-42.2	174.4	-77.6	175.1	170.9	158.8	0	112	E7 L8 E9 K14 L15	E7-K11 PolarHBondContact O-N 2.69Å; E7-K11 IonicContact OE1-NZ 3.01Å; E7-K11 PolarHBondContact OE1-NZ 2.89Å; L8-K11 PolarHBondContact O-N 3.41Å; E9-K11 PolarHBondContact O-N 2.87Å; K11-K14 PolarHBondContact O-N 2.92Å; K11-L15 PolarHBondContact O-N 3.17Å; K11-L15 VanDerWaalsContact O-N 3.08Å
12	K	92.4	Very high	88.3	Confident	144 Å²	144	127 Å²	127	63%	0.626	61%	0.611	S	S	*	*	H	α-helix	trans	-62.3	-43.5	174.4	-83.5	-175	175.9	-177.1	0	112.3	L8 E9 K14 L15 L16	L8-K12 HydrophobicContact CD2-CD 4.16Å; L8-K12 HydrophobicContact CD2-CG 4.34Å; L8-K12 PolarHBondContact O-N 2.68Å; E9-K12 PolarHBondContact O-N 2.81Å; K12-K14 VanDerWaalsContact C-N 3.35Å; K12-K14 PolarHBondContact O-N 2.74Å; K12-L15 PolarHBondContact O-N 2.9Å; K12-L16 PolarHBondContact O-N 3.27Å
13	A	90.7	Very high	88.6	Confident	61 Å²	61	128.9 Å²	128.9	50%	0.504	61%	0.607	S	S	.	*	H	α-helix	trans	-62	-41.4	177.3	0	0	0	0	0	112	E9 R10 L16 A17	E9-A13 WeakPolarHBondContact O-CB 3.15Å; E9-A13 PolarHBondContact O-N 2.98Å; R10-A13 PolarHBondContact O-N 3.25Å; A13-L16 PolarHBondContact O-N 2.69Å; A13-A17 PolarHBondContact O-N 3.5Å
14	K	90.8	Very high	88.6	Confident	162 Å²	162	129.2 Å²	129.2	70%	0.704	60%	0.602	S	S	*	*	H	α-helix	trans	-65.5	-39	177.5	-161.3	176.7	-177.1	-177.4	0	112.5	R10 K11 K12 M18	R10-K14 PolarHBondContact O-N 3.18Å; R10-K14 VanDerWaalsContact O-N 3.08Å; K11-K14 PolarHBondContact O-N 2.92Å; K12-K14 VanDerWaalsContact C-N 3.35Å; K12-K14 PolarHBondContact O-N 2.74Å; K14-M18 PolarHBondContact O-N 3.12Å; K14-M18 VanDerWaalsContact O-N 3.15Å
15	L	87.4	Confident	88.2	Confident	117 Å²	117	128.2 Å²	128.2	61%	0.613	60%	0.599	S	S	*	*	H	α-helix	trans	-67.1	-39	176.3	-161	89.4	0	0	0	111.9	K11 K12 M18 R19	K11-L15 PolarHBondContact O-N 3.17Å; K11-L15 VanDerWaalsContact O-N 3.08Å; K12-L15 PolarHBondContact O-N 2.9Å; L15-M18 PolarHBondContact O-N 2.8Å; L15-R19 PolarHBondContact O-N 3.02Å; L15-R19 VanDerWaalsContact O-N 3.09Å
16	L	89.2	Confident	87.4	Confident	105 Å²	105	126.3 Å²	126.3	55%	0.55	59%	0.592	S	S	.	*	H	α-helix	trans	-65.8	-42.6	177.5	-127.5	162.7	0	0	0	111.2	K12 A13 M18 R19 E20	K12-L16 PolarHBondContact O-N 3.27Å; A13-L16 PolarHBondContact O-N 2.69Å; L16-M18 PolarHBondContact O-N 3.2Å; L16-R19 PolarHBondContact O-N 3Å; L16-R19 VanDerWaalsContact O-N 3.14Å; L16-E20 HydrophobicContact CD2-CG 4.4Å; L16-E20 PolarHBondContact O-N 2.96Å
17	A	89.7	Confident	86.7	Confident	56 Å²	56	128.8 Å²	128.8	46%	0.463	59%	0.594	S	S	.	*	H	α-helix	trans	-60	-45.6	175.4	0	0	0	0	0	112.4	A13 R19 E20 E21	A13-A17 PolarHBondContact O-N 3.5Å; A17-R19 VanDerWaalsContact C-N 3.27Å; A17-R19 PolarHBondContact O-N 3.15Å; A17-E20 PolarHBondContact O-N 3.41Å; A17-E21 WeakPolarHBondContact O-CB 3.36Å; A17-E21 PolarHBondContact O-N 3.47Å
18	M	89.8	Confident	85.8	Confident	126 Å²	126	129.2 Å²	129.2	62%	0.621	60%	0.598	S	S	*	*	H	α-helix	trans	-62.1	-35.2	174.7	-87.1	-143.3	-68.5	0	0	112.7	K14 L15 L16 K22	K14-M18 PolarHBondContact O-N 3.12Å; K14-M18 VanDerWaalsContact O-N 3.15Å; L15-M18 PolarHBondContact O-N 2.8Å; L16-M18 PolarHBondContact O-N 3.2Å; M18-K22 WeakPolarHBondContact O-CB 3.38Å; M18-K22 PolarHBondContact O-N 3.47Å
19	R	90	Very high	84.4	Confident	195 Å²	195	131 Å²	131	74%	0.736	60%	0.602	S	S	*	*	H	α-helix	trans	-71.3	-37.6	-180	-153.8	175.2	-174.8	163.6	1.9	111.8	L15 L16 A17 K23	L15-R19 PolarHBondContact O-N 3.02Å; L15-R19 VanDerWaalsContact O-N 3.09Å; L16-R19 PolarHBondContact O-N 3Å; L16-R19 VanDerWaalsContact O-N 3.14Å; A17-R19 VanDerWaalsContact C-N 3.27Å; A17-R19 PolarHBondContact O-N 3.15Å; R19-K23 WeakPolarHBondContact O-CB 3.43Å; R19-K23 PolarHBondContact O-N 2.85Å; R19-K23 VanDerWaalsContact O-N 3.1Å
20	E	88.9	Confident	82.6	Confident	119 Å²	119	133.1 Å²	133.1	56%	0.556	61%	0.609	S	S	*	*	H	α-helix	trans	-68.3	-39.8	173	-73.5	-173.7	169.9	0	0	112.3	L16 A17 K23 K24	L16-E20 HydrophobicContact CD2-CG 4.4Å; L16-E20 PolarHBondContact O-N 2.96Å; A17-E20 PolarHBondContact O-N 3.41Å; E20-K23 PolarHBondContact O-N 2.83Å; E20-K24 PolarHBondContact O-N 3.36Å
21	E	87.9	Confident	80.9	Confident	139 Å²	139	129.6 Å²	129.6	65%	0.65	61%	0.605	S	S	*	*	H	α-helix	trans	-65	-41.7	176.9	-167	174.4	-169.2	0	0	111.7	A17 K23 K24 R25	A17-E21 WeakPolarHBondContact O-CB 3.36Å; A17-E21 PolarHBondContact O-N 3.47Å; E21-K23 VanDerWaalsContact C-N 3.33Å; E21-K23 PolarHBondContact O-N 2.99Å; E21-K24 PolarHBondContact O-N 2.97Å; E21-R25 WeakPolarHBondContact O-CB 3.23Å; E21-R25 PolarHBondContact O-N 3.44Å
22	K	87.9	Confident	78.5	Confident	140 Å²	140	126.4 Å²	126.4	61%	0.609	61%	0.61	S	S	*	*	H	α-helix	trans	-61.1	-42.5	172.8	-170.7	175.7	178.8	178	0	111.7	M18 R25 E26	M18-K22 WeakPolarHBondContact O-CB 3.38Å; M18-K22 PolarHBondContact O-N 3.47Å; K22-R25 PolarHBondContact O-N 3.31Å; K22-E26 PolarHBondContact O-N 2.88Å
23	K	86.3	Confident	76	Confident	136 Å²	136	126.1 Å²	126.1	59%	0.591	61%	0.614	S	S	*	*	H	α-helix	trans	-66	-40.7	178.6	-157.6	-178.8	-180	-170.1	0	112.1	R19 E20 E21 R25 E26 E27	R19-K23 WeakPolarHBondContact O-CB 3.43Å; R19-K23 PolarHBondContact O-N 2.85Å; R19-K23 VanDerWaalsContact O-N 3.1Å; E20-K23 PolarHBondContact O-N 2.83Å; E21-K23 VanDerWaalsContact C-N 3.33Å; E21-K23 PolarHBondContact O-N 2.99Å; K23-R25 VanDerWaalsContact C-N 3.34Å; K23-R25 PolarHBondContact O-N 3.25Å; K23-E26 PolarHBondContact O-N 3.44Å; K23-E27 PolarHBondContact O-N 3.28Å
24	K	81.6	Confident	73.3	Confident	140 Å²	140	130.4 Å²	130.4	61%	0.609	62%	0.623	S	S	*	*	H	α-helix	trans	-61.9	-40.3	172	-78.1	-173.4	176.6	-178.8	0	112	E20 E21 E26 E27 I28	E20-K24 PolarHBondContact O-N 3.36Å; E21-K24 PolarHBondContact O-N 2.97Å; K24-E26 VanDerWaalsContact C-N 3.33Å; K24-E26 PolarHBondContact O-N 2.99Å; K24-E27 PolarHBondContact O-N 3.21Å; K24-I28 WeakPolarHBondContact O-CD1 3Å; K24-I28 VanDerWaalsContact O-CG1 3.24Å; K24-I28 WeakPolarHBondContact O-CG1 3.5Å; K24-I28 PolarHBondContact O-N 2.92Å
25	R	74.7	Confident	70.7	Confident	177 Å²	177	128.4 Å²	128.4	67%	0.668	62%	0.621	S	S	*	*	H	α-helix	trans	-66.8	-35.6	177.9	-157.1	173.2	-174.1	-135.1	1.6	112.1	E21 K22 K23 K29	E21-R25 WeakPolarHBondContact O-CB 3.23Å; E21-R25 PolarHBondContact O-N 3.44Å; K22-R25 PolarHBondContact O-N 3.31Å; K23-R25 VanDerWaalsContact C-N 3.34Å; K23-R25 PolarHBondContact O-N 3.25Å; R25-K29 WeakPolarHBondContact O-CG 3.25Å; R25-K29 PolarHBondContact O-N 3Å
26	E	72.9	Confident	68.3	Low	107 Å²	107	129.3 Å²	129.3	50%	0.5	63%	0.63	S	S	.	*	H	α-helix	trans	-70.4	-37.1	172.2	-75.2	177.4	-172.2	0	0	112.6	K22 K23 K24 K29 K30	K22-E26 PolarHBondContact O-N 2.88Å; K23-E26 PolarHBondContact O-N 3.44Å; K24-E26 VanDerWaalsContact C-N 3.33Å; K24-E26 PolarHBondContact O-N 2.99Å; E26-K29 PolarHBondContact O-N 2.93Å; E26-K30 PolarHBondContact O-N 3.44Å
27	E	73.1	Confident	65.8	Low	107 Å²	107	131.7 Å²	131.7	50%	0.5	64%	0.639	S	S	.	*	H	α-helix	trans	-65.6	-41.9	173.3	-78.5	177.2	178.7	0	0	112.1	K23 K24 K29 K30 I31	K23-E27 PolarHBondContact O-N 3.28Å; K24-E27 PolarHBondContact O-N 3.21Å; E27-K29 VanDerWaalsContact C-N 3.31Å; E27-K29 PolarHBondContact O-N 2.85Å; E27-K30 PolarHBondContact O-N 3.03Å; E27-K30 VanDerWaalsContact O-N 3.13Å; E27-I31 WeakPolarHBondContact O-CG1 3.44Å; E27-I31 PolarHBondContact O-N 3.43Å
28	I	67.9	Low	63.5	Low	117 Å²	117	134.8 Å²	134.8	60%	0.6	65%	0.652	S	S	*	*	H	α-helix	trans	-61.9	-41.3	173.9	-65.6	161.6	0	0	0	110.4	K24 K30 I31 G32	K24-I28 WeakPolarHBondContact O-CD1 3Å; K24-I28 VanDerWaalsContact O-CG1 3.24Å; K24-I28 WeakPolarHBondContact O-CG1 3.5Å; K24-I28 PolarHBondContact O-N 2.92Å; I28-K30 VanDerWaalsContact C-N 3.32Å; I28-K30 PolarHBondContact O-N 3.36Å; I28-I31 PolarHBondContact O-N 2.9Å; I28-G32 PolarHBondContact O-N 3.43Å
29	K	58.8	Low	61.2	Low	138 Å²	138	131.5 Å²	131.5	60%	0.6	64%	0.641	S	S	*	*	H	α-helix	trans	-63.7	-35.9	174.4	-80.2	-172.4	174.2	-167.6	0	112.6	R25 E26 E27 G32 I33	R25-K29 WeakPolarHBondContact O-CG 3.25Å; R25-K29 PolarHBondContact O-N 3Å; E26-K29 PolarHBondContact O-N 2.93Å; E27-K29 VanDerWaalsContact C-N 3.31Å; E27-K29 PolarHBondContact O-N 2.85Å; K29-G32 PolarHBondContact O-N 3.37Å; K29-I33 WeakPolarHBondContact O-CD1 3.4Å; K29-I33 WeakPolarHBondContact O-CG1 3.28Å
30	K	53.5	Low	59.5	Low	169 Å²	169	127.3 Å²	127.3	74%	0.735	63%	0.633	S	S	*	*	H	α-helix	trans	-69	-36.4	175	-81.6	-173.9	175	-175.7	0	112.7	E26 E27 I28 G32 I33	E26-K30 PolarHBondContact O-N 3.44Å; E27-K30 PolarHBondContact O-N 3.03Å; E27-K30 VanDerWaalsContact O-N 3.13Å; I28-K30 VanDerWaalsContact C-N 3.32Å; I28-K30 PolarHBondContact O-N 3.36Å; K30-G32 VanDerWaalsContact C-N 3.29Å; K30-I33 PolarHBondContact O-N 2.9Å
31	I	52.6	Low	57.6	Low	131 Å²	131	127.7 Å²	127.7	67%	0.672	64%	0.638	S	S	*	*	H	α-helix	trans	-69.3	-32	175.8	-63.1	162.8	0	0	0	110.6	E27 I28 I33 H34	E27-I31 WeakPolarHBondContact O-CG1 3.44Å; E27-I31 PolarHBondContact O-N 3.43Å; I28-I31 PolarHBondContact O-N 2.9Å; I31-I33 PolarHBondContact O-N 3.18Å; I31-H34 PolarHBondContact O-N 3.14Å
32	G	43.7	Very low	56.1	Low	69 Å²	69	130.2 Å²	130.2	71%	0.711	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-0.1	174.7	0	0	0	0	0	116	I28 K29 K30	I28-G32 PolarHBondContact O-N 3.43Å; K29-G32 PolarHBondContact O-N 3.37Å; K30-G32 VanDerWaalsContact C-N 3.29Å
33	I	38	Very low	54.7	Low	137 Å²	137	129.2 Å²	129.2	70%	0.703	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	9.6	179.2	-59	164.4	0	0	0	111.2	K29 K30 I31 D35	K29-I33 WeakPolarHBondContact O-CD1 3.4Å; K29-I33 WeakPolarHBondContact O-CG1 3.28Å; K30-I33 PolarHBondContact O-N 2.9Å; I31-I33 PolarHBondContact O-N 3.18Å; I33-D35 PolarHBondContact O-N 2.98Å
34	H	34.8	Very low	53.7	Low	151 Å²	151	126.2 Å²	126.2	70%	0.699	63%	0.632	S	S	*	*	S	Bend	trans	-83.9	101.4	176.6	-146.9	24.2	0	0	0	111.2	I31	I31-H34 PolarHBondContact O-N 3.14Å
35	D	36.5	Very low	52.8	Low	121 Å²	121	122.6 Å²	122.6	65%	0.647	62%	0.622	S	S	*	*			trans	46.7	71.9	149.5	-57.6	-29.1	0	0	0	116.4	I33 E37	I33-D35 PolarHBondContact O-N 2.98Å; D35-E37 PolarHBondContact O-N 2.96Å
36	V	37.1	Very low	52.4	Low	135 Å²	135	119.1 Å²	119.1	82%	0.818	62%	0.617	S	S	*	*			trans	-78	98.8	149.3	-179.1	0	0	0	0	106.1	V38	V36-V38 PolarHBondContact O-N 3.45Å; V36-V38 VanDerWaalsContact O-N 3.12Å
37	E	35.3	Very low	52.3	Low	155 Å²	155	120.7 Å²	120.7	72%	0.724	62%	0.624	S	S	*	*			trans	-49.4	113.9	176.6	-66.8	177.4	150.2	0	0	110.3	D35 S39	D35-E37 PolarHBondContact O-N 2.96Å; E37-S39 PolarHBondContact O-N 3.46Å
38	V	41.8	Very low	52	Low	122 Å²	122	120.8 Å²	120.8	74%	0.739	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	16.8	-178	-178.8	0	0	0	0	112	V36	V36-V38 PolarHBondContact O-N 3.45Å; V36-V38 VanDerWaalsContact O-N 3.12Å
39	S	42.8	Very low	52	Low	56 Å²	56	119.4 Å²	119.4	39%	0.392	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	-13.6	-174.7	44.3	0	0	0	0	115.5	E37 Q43	E37-S39 PolarHBondContact O-N 3.46Å; S39-Q43 PolarHBondContact O-NE2 3.35Å
40	D	53.4	Low	52.6	Low	108 Å²	108	119.9 Å²	119.9	58%	0.578	62%	0.623	S	S	*	*	H	α-helix	trans	-93.9	-22.1	-171.5	-73.9	-2.7	0	0	0	114.8	T44	D40-T44 WeakPolarHBondContact O-CG2 3.42Å; D40-T44 PolarHBondContact O-N 3.01Å; D40-T44 PolarHBondContact O-OG1 3.23Å
41	I	49.2	Very low	53.4	Low	127 Å²	127	119.1 Å²	119.1	65%	0.651	63%	0.626	S	S	*	*	H	α-helix	trans	-73.3	-35.1	-178.6	-75.2	169.9	0	0	0	112.1	T44 T45	I41-T44 WeakPolarHBondContact CA-OG1 3.37Å; I41-T44 PolarHBondContact O-OG1 2.73Å; I41-T45 WeakPolarHBondContact O-CG2 3.26Å; I41-T45 PolarHBondContact O-N 3.14Å; I41-T45 PolarHBondContact O-OG1 2.98Å
42	R	55.4	Low	53.8	Low	191 Å²	191	119.3 Å²	119.3	72%	0.721	63%	0.628	S	S	*	*	H	α-helix	trans	-73.8	-36.5	179.9	-65.6	-173.4	-175.9	179.9	1.7	112.5	T44 T45 D46	R42-T44 VanDerWaalsContact C-N 3.33Å; R42-T45 WeakPolarHBondContact CA-OG1 3.28Å; R42-T45 PolarHBondContact O-N 3.44Å; R42-T45 PolarHBondContact O-OG1 3.12Å; R42-D46 PolarHBondContact O-N 2.96Å; R42-D46 VanDerWaalsContact O-N 3.09Å
43	Q	59.2	Low	54.5	Low	119 Å²	119	119 Å²	119	56%	0.556	63%	0.626	S	S	*	*	H	α-helix	trans	-65.4	-40.2	176.8	-66	-179.3	33.5	0	0	110.8	S39 T45 D46 E47	S39-Q43 PolarHBondContact O-NE2 3.35Å; Q43-T45 PolarHBondContact O-N 3.38Å; Q43-D46 PolarHBondContact O-N 3.07Å; Q43-E47 WeakPolarHBondContact O-CG 3.44Å; Q43-E47 PolarHBondContact O-N 3.37Å
44	T	65.4	Low	55.7	Low	73 Å²	73	117.9 Å²	117.9	45%	0.448	62%	0.62	S	S	.	*	H	α-helix	trans	-67.3	-33.9	177	48.2	0	0	0	0	113.1	D40 I41 R42 L48	D40-T44 WeakPolarHBondContact O-CG2 3.42Å; D40-T44 PolarHBondContact O-N 3.01Å; D40-T44 PolarHBondContact O-OG1 3.23Å; I41-T44 WeakPolarHBondContact CA-OG1 3.37Å; I41-T44 PolarHBondContact O-OG1 2.73Å; R42-T44 VanDerWaalsContact C-N 3.33Å; T44-L48 WeakPolarHBondContact O-CB 3.36Å; T44-L48 WeakPolarHBondContact O-CG 3.21Å; T44-L48 PolarHBondContact O-N 3.24Å; T44-L48 VanDerWaalsContact O-N 3.08Å
45	T	63.3	Low	56.5	Low	64 Å²	64	116.3 Å²	116.3	39%	0.393	62%	0.624	S	S	.	*	H	α-helix	trans	-70.3	-38.2	174.4	52.4	0	0	0	0	113	I41 R42 Q43 L48 L49	I41-T45 WeakPolarHBondContact O-CG2 3.26Å; I41-T45 PolarHBondContact O-N 3.14Å; I41-T45 PolarHBondContact O-OG1 2.98Å; R42-T45 WeakPolarHBondContact CA-OG1 3.28Å; R42-T45 PolarHBondContact O-N 3.44Å; R42-T45 PolarHBondContact O-OG1 3.12Å; Q43-T45 PolarHBondContact O-N 3.38Å; T45-L48 PolarHBondContact O-N 3.28Å; T45-L49 WeakPolarHBondContact O-CB 3.45Å; T45-L49 WeakPolarHBondContact O-CD1 3.41Å; T45-L49 VanDerWaalsContact O-CG 3.27Å; T45-L49 WeakPolarHBondContact O-CG 3.47Å; T45-L49 PolarHBondContact O-N 3.31Å
46	D	65.4	Low	57.4	Low	105 Å²	105	117.9 Å²	117.9	56%	0.561	63%	0.627	S	S	*	*	H	α-helix	trans	-70.2	-34.4	178.6	-73.2	-16.9	0	0	0	111.8	R42 Q43 K50	R42-D46 PolarHBondContact O-N 2.96Å; R42-D46 VanDerWaalsContact O-N 3.09Å; Q43-D46 PolarHBondContact O-N 3.07Å; D46-K50 PolarHBondContact O-N 2.96Å; D46-K50 VanDerWaalsContact O-N 3.16Å
47	E	70.5	Confident	57.6	Low	139 Å²	139	117 Å²	117	65%	0.65	62%	0.624	S	S	*	*	H	α-helix	trans	-67.5	-42	172.1	-73.2	-172.3	169.2	0	0	112.2	Q43 L49 K50 D51	Q43-E47 WeakPolarHBondContact O-CG 3.44Å; Q43-E47 PolarHBondContact O-N 3.37Å; E47-L49 PolarHBondContact O-N 2.81Å; E47-K50 PolarHBondContact O-N 3Å; E47-D51 PolarHBondContact O-N 3.24Å; E47-D51 VanDerWaalsContact O-N 3.13Å
48	L	68	Low	57.9	Low	110 Å²	110	116.1 Å²	116.1	58%	0.576	63%	0.629	S	S	*	*	H	α-helix	trans	-63.4	-38.6	175.4	-83.1	164.9	0	0	0	112.6	T44 T45 K50 D51 L52	T44-L48 WeakPolarHBondContact O-CB 3.36Å; T44-L48 WeakPolarHBondContact O-CG 3.21Å; T44-L48 PolarHBondContact O-N 3.24Å; T44-L48 VanDerWaalsContact O-N 3.08Å; T45-L48 PolarHBondContact O-N 3.28Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-D51 PolarHBondContact O-N 3.12Å; L48-L52 PolarHBondContact O-N 2.97Å
49	L	67.5	Low	57.7	Low	87 Å²	87	117.8 Å²	117.8	46%	0.455	63%	0.633	S	S	.	*	H	α-helix	trans	-68.4	-32.9	177.3	-74.5	164.1	0	0	0	112.2	T45 E47 L54	T45-L49 WeakPolarHBondContact O-CB 3.45Å; T45-L49 WeakPolarHBondContact O-CD1 3.41Å; T45-L49 VanDerWaalsContact O-CG 3.27Å; T45-L49 WeakPolarHBondContact O-CG 3.47Å; T45-L49 PolarHBondContact O-N 3.31Å; E47-L49 PolarHBondContact O-N 2.81Å; L49-L54 HydrophobicContact CD2-CD1 3.95Å
50	K	70.6	Confident	57.5	Low	149 Å²	149	120.5 Å²	120.5	65%	0.648	65%	0.649	S	S	*	*	H	α-helix	trans	-66.9	-40.6	172.9	-95.7	177.8	178.6	164.9	0	112.8	D46 E47 L48 L52 G53	D46-K50 PolarHBondContact O-N 2.96Å; D46-K50 VanDerWaalsContact O-N 3.16Å; E47-K50 PolarHBondContact O-N 3Å; L48-K50 VanDerWaalsContact C-N 3.33Å; K50-L52 VanDerWaalsContact C-N 3.25Å; K50-L52 PolarHBondContact O-N 2.82Å; K50-G53 PolarHBondContact O-N 3.48Å; K50-G53 VanDerWaalsContact O-N 3.17Å
51	D	71.4	Confident	56.5	Low	152 Å²	152	124.7 Å²	124.7	81%	0.813	67%	0.665	S	S	*	*	H	α-helix	trans	-68.1	-28.2	-179.6	-152.5	40.9	0	0	0	112.2	E47 L48 G53	E47-D51 PolarHBondContact O-N 3.24Å; E47-D51 VanDerWaalsContact O-N 3.13Å; L48-D51 PolarHBondContact O-N 3.12Å; D51-G53 VanDerWaalsContact C-N 3.27Å; D51-G53 PolarHBondContact O-N 3.31Å
52	L	61.7	Low	55.9	Low	135 Å²	135	123.2 Å²	123.2	71%	0.707	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	5.4	174.6	-90.5	141.6	0	0	0	114.8	L48 K50 L54	L48-L52 PolarHBondContact O-N 2.97Å; K50-L52 VanDerWaalsContact C-N 3.25Å; K50-L52 PolarHBondContact O-N 2.82Å; L52-L54 VanDerWaalsContact C-N 3.28Å; L52-L54 PolarHBondContact O-N 2.98Å
53	G	57.3	Low	54.8	Low	64 Å²	64	118.9 Å²	118.9	66%	0.66	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.9	21.6	170.3	0	0	0	0	0	114.9	K50 D51	K50-G53 PolarHBondContact O-N 3.48Å; K50-G53 VanDerWaalsContact O-N 3.17Å; D51-G53 VanDerWaalsContact C-N 3.27Å; D51-G53 PolarHBondContact O-N 3.31Å
54	L	64.1	Low	53.5	Low	112 Å²	112	118.7 Å²	118.7	59%	0.586	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-81.1	129.3	176.2	-74.1	162.2	0	0	0	110.3	L49 L52	L49-L54 HydrophobicContact CD2-CD1 3.95Å; L52-L54 VanDerWaalsContact C-N 3.28Å; L52-L54 PolarHBondContact O-N 2.98Å
55	P	50.2	Low	51.9	Low	119 Å²	119	123 Å²	123	77%	0.773	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-71	137	179.9	29.8	-33.7	0	0	0	110.9
56	E	55.2	Low	50.5	Low	154 Å²	154	130.5 Å²	130.5	72%	0.72	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-56.2	131.4	-179.3	-142.3	161.8	-149.9	0	0	110.9	V58	E56-V58 PolarHBondContact O-N 2.8Å
57	P	42.9	Very low	48.8	Very low	115 Å²	115	134.6 Å²	134.6	75%	0.747	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-67.3	120.3	179.8	25.9	-31.3	0	0	0	109.7	L59	P57-L59 PolarHBondContact O-N 3.46Å
58	V	40.1	Very low	47	Very low	138 Å²	138	136 Å²	136	84%	0.836	75%	0.749	S	S	*	*			trans	-60.5	106.8	172.6	179.2	0	0	0	0	108.2	E56 P60	E56-V58 PolarHBondContact O-N 2.8Å; V58-P60 WeakPolarHBondContact O-CD 3.32Å
59	L	38.5	Very low	45.2	Very low	157 Å²	157	139.7 Å²	139.7	82%	0.822	76%	0.763	S	S	*	*			trans	-55	120.3	172.3	-81.3	151.7	0	0	0	109.1	P57 Q61	P57-L59 PolarHBondContact O-N 3.46Å; L59-Q61 PolarHBondContact O-N 3.37Å
60	P	37.8	Very low	43.3	Very low	112 Å²	112	141 Å²	141	73%	0.727	78%	0.78	S	S	*	*			trans	-62.9	133.8	171.5	4.2	4	0	0	0	108.4	V58 A62	V58-P60 WeakPolarHBondContact O-CD 3.32Å; P60-A62 PolarHBondContact O-N 3.06Å
61	Q	34.1	Very low	41.5	Very low	197 Å²	197	139.7 Å²	139.7	92%	0.921	79%	0.786	S	S	*	*			trans	-54.5	103.7	175	-71.8	179.7	-14.9	0	0	109.4	L59 S63	L59-Q61 PolarHBondContact O-N 3.37Å; Q61-S63 PolarHBondContact O-N 2.67Å
62	A	34.9	Very low	39.6	Very low	95 Å²	95	137.4 Å²	137.4	79%	0.785	78%	0.783	S	S	*	*			trans	-66.7	102	175.9	0	0	0	0	0	108.9	P60 S64	P60-A62 PolarHBondContact O-N 3.06Å; A62-S64 PolarHBondContact O-N 3.41Å
63	S	32.9	Very low	38.1	Very low	101 Å²	101	138.6 Å²	138.6	71%	0.706	79%	0.788	S	S	*	*			trans	-60.5	121.5	164.3	51.3	0	0	0	0	108.7	Q61 I65	Q61-S63 PolarHBondContact O-N 2.67Å; S63-I65 PolarHBondContact O-N 3.27Å; S63-I65 VanDerWaalsContact O-N 3.08Å
64	S	32.3	Very low	37	Very low	115 Å²	115	142.8 Å²	142.8	80%	0.804	80%	0.795	S	S	*	*			trans	-54.7	104.3	-171.4	-43.3	0	0	0	0	113.2	A62	A62-S64 PolarHBondContact O-N 3.41Å
65	I	32	Very low	35.1	Very low	162 Å²	162	143.7 Å²	143.7	83%	0.831	81%	0.806	S	S	*	*			trans	-88.2	108.4	166.5	-62.7	172.3	0	0	0	106.5	S63 E67	S63-I65 PolarHBondContact O-N 3.27Å; S63-I65 VanDerWaalsContact O-N 3.08Å; I65-E67 PolarHBondContact O-N 2.93Å
66	R	33.3	Very low	34.3	Very low	222 Å²	222	144.7 Å²	144.7	84%	0.838	81%	0.809	S	S	*	*			trans	-67.4	122.6	177.1	-73.1	175.9	169.5	167.7	-3.6	109.4	L68	R66-L68 PolarHBondContact O-N 2.77Å
67	E	30	Very low	32.9	Very low	192 Å²	192	145.3 Å²	145.3	90%	0.897	82%	0.817	S	S	*	*			trans	-53	123.6	166.7	-80	169.2	138.2	0	0	109.9	I65	I65-E67 PolarHBondContact O-N 2.93Å
68	L	31.4	Very low	32.3	Very low	168 Å²	168	143 Å²	143	88%	0.88	82%	0.815	S	S	*	*			trans	-90.9	111.6	165	-88.7	96.1	0	0	0	108	R66	R66-L68 PolarHBondContact O-N 2.77Å
69	E	31	Very low	31.8	Very low	187 Å²	187	143.9 Å²	143.9	87%	0.874	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-62.5	136	168.1	-69	176.1	154.2	0	0	110.7
70	S	27.1	Very low	31.3	Very low	114 Å²	114	144.6 Å²	144.6	80%	0.797	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.9	127	176.9	41.4	0	0	0	0	110.9
71	P	32.9	Very low	31.1	Very low	122 Å²	122	147.3 Å²	147.3	79%	0.792	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.8	128.2	179.2	31.8	-30.5	0	0	0	110.4
72	S	31.8	Very low	30.8	Very low	105 Å²	105	149.9 Å²	149.9	73%	0.734	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-59.4	135.6	171.7	46.6	0	0	0	0	111.9	D74	S72-D74 PolarHBondContact O-N 2.92Å
73	I	30.6	Very low	30.8	Very low	160 Å²	160	151.5 Å²	151.5	82%	0.821	82%	0.817	S	S	*	*			trans	-74.3	100.8	180	-64.6	161.5	0	0	0	108.5
74	D	33.2	Very low	31	Very low	152 Å²	152	152.2 Å²	152.2	81%	0.813	82%	0.822	S	S	*	*			trans	-102.4	128.3	168.4	-90.7	-27.4	0	0	0	110.9	S72	S72-D74 PolarHBondContact O-N 2.92Å
75	T	26	Very low	31.6	Very low	131 Å²	131	155.6 Å²	155.6	80%	0.804	82%	0.822	S	S	*	*			trans	-92.5	104.8	-171	-42.4	0	0	0	0	108.7
76	V	32.3	Very low	32.1	Very low	139 Å²	139	157.4 Å²	157.4	84%	0.842	82%	0.823	S	S	*	*			trans	-149.2	119.6	163.4	-170.2	0	0	0	0	111.4
77	D	26	Very low	32.4	Very low	167 Å²	167	158.5 Å²	158.5	89%	0.893	83%	0.828	S	S	*	*			trans	-54.1	138.7	167	-75.9	-48.6	0	0	0	113.3
78	G	30	Very low	33.6	Very low	67 Å²	67	159 Å²	159	69%	0.691	83%	0.827	S	S	*	*			trans	160	88.5	164.9	0	0	0	0	0	117.4
79	I	30.3	Very low	34.1	Very low	157 Å²	157	158.7 Å²	158.7	81%	0.805	83%	0.826	S	S	*	*			trans	49.6	103.5	134.3	-53.5	169.2	0	0	0	117.8	Q81	I79-Q81 PolarHBondContact O-N 2.8Å
80	L	28.3	Very low	34.9	Very low	171 Å²	171	158.2 Å²	158.2	90%	0.895	83%	0.828	S	S	*	*			trans	36	81	138.1	-63.1	167.9	0	0	0	117.8
81	Q	32.2	Very low	36.7	Very low	169 Å²	169	161.8 Å²	161.8	79%	0.79	83%	0.833	S	S	*	*			trans	-111.3	106	153.3	-85	-175.4	0.3	0	0	111	I79 N83	I79-Q81 PolarHBondContact O-N 2.8Å; Q81-N83 PolarHBondContact O-N 2.93Å
82	R	28.9	Very low	38.1	Very low	252 Å²	252	163.8 Å²	163.8	95%	0.951	84%	0.835	S	S	*	*			trans	-58.8	99	162	-84.2	177.9	170.5	173.5	-2.6	108.9
83	N	35.2	Very low	39.6	Very low	129 Å²	129	163.5 Å²	163.5	69%	0.69	83%	0.833	S	S	*	*			trans	-115.5	98	165.9	-91.1	-33	0	0	0	110.1	Q81 K85	Q81-N83 PolarHBondContact O-N 2.93Å; N83-K85 PolarHBondContact O-N 3.06Å
84	S	35.8	Very low	41	Very low	116 Å²	116	162.8 Å²	162.8	81%	0.811	83%	0.831	S	S	*	*			trans	-67	100.6	166.6	54.2	0	0	0	0	110.2
85	K	45.3	Very low	42.3	Very low	185 Å²	185	161.8 Å²	161.8	80%	0.804	83%	0.83	S	S	*	*			trans	-141.1	111.9	163.1	-75.1	-169.4	179.9	169.9	0	112.7	N83	N83-K85 PolarHBondContact O-N 3.06Å
86	K	41.7	Very low	44	Very low	200 Å²	200	164.5 Å²	164.5	87%	0.87	83%	0.831	S	S	*	*			trans	63.4	95.1	151.8	-59.9	-173.3	177.7	-175.7	0	117.3	K88	K86-K88 PolarHBondContact O-N 2.99Å
87	R	40.8	Very low	45.2	Very low	245 Å²	245	166.5 Å²	166.5	93%	0.925	83%	0.831	S	S	*	*			trans	-53.8	122.8	156.7	-76.1	179.6	166.2	-176.4	-5.5	108.6	N89	R87-N89 PolarHBondContact O-N 3.3Å
88	K	54.4	Low	47	Very low	204 Å²	204	165.3 Å²	165.3	89%	0.887	82%	0.823	S	S	*	*			trans	-66.1	116.3	170.7	-68.5	-179.5	178.8	-179.6	0	107.3	K86 L90	K86-K88 PolarHBondContact O-N 2.99Å; K88-L90 PolarHBondContact O-N 3.39Å
89	N	42	Very low	48.6	Very low	160 Å²	160	166.2 Å²	166.2	86%	0.856	83%	0.825	S	S	*	*			trans	-72.3	114	169.8	-94.1	-6.9	0	0	0	107.6	R87	R87-N89 PolarHBondContact O-N 3.3Å
90	L	48.3	Very low	50.3	Low	177 Å²	177	165.8 Å²	165.8	93%	0.927	82%	0.822	S	S	*	*			trans	-71.5	130.2	167.2	-71.2	154.9	0	0	0	107.6	K88	K88-L90 PolarHBondContact O-N 3.39Å
91	Q	64.8	Low	52.1	Low	189 Å²	189	162.7 Å²	162.7	88%	0.883	81%	0.812	S	S	*	*			trans	-108.9	140.8	172.2	-132	173.9	-3	0	0	107.6	S93	Q91-S93 PolarHBondContact O-N 3.17Å
92	I	62.3	Low	53.7	Low	164 Å²	164	160 Å²	160	84%	0.841	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-72.9	123.9	175.5	-64.4	162.4	0	0	0	106.8
93	S	62.5	Low	55.6	Low	100 Å²	100	153.7 Å²	153.7	70%	0.699	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-78.6	140	169.9	-172	0	0	0	0	108.6	Q91 V95	Q91-S93 PolarHBondContact O-N 3.17Å; S93-V95 PolarHBondContact O-N 3.29Å; S93-V95 VanDerWaalsContact O-N 3.16Å
94	D	61.4	Low	56.7	Low	144 Å²	144	156.1 Å²	156.1	77%	0.77	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-60	119	173.6	-76.5	-37.2	0	0	0	109.4	F96	D94-F96 PolarHBondContact O-N 3.39Å
95	V	60.6	Low	57.9	Low	132 Å²	132	156.7 Å²	156.7	80%	0.8	81%	0.807	S	S	*	*			trans	-82.6	112.3	174.4	178.9	0	0	0	0	106.6	S93 E97	S93-V95 PolarHBondContact O-N 3.29Å; S93-V95 VanDerWaalsContact O-N 3.16Å; V95-E97 PolarHBondContact O-N 3.17Å
96	F	60.1	Low	58.5	Low	188 Å²	188	155 Å²	155	83%	0.825	81%	0.805	S	S	*	*			trans	-70.3	96.6	170.4	-82.9	-87.8	0	0	0	108.8	D94 I98	D94-F96 PolarHBondContact O-N 3.39Å; F96-I98 PolarHBondContact O-N 2.83Å
97	E	58.3	Low	58.7	Low	181 Å²	181	152.5 Å²	152.5	85%	0.846	80%	0.8	S	S	*	*			trans	-77.9	103.1	172	-169	174.6	-171.3	0	0	108.9	V95	V95-E97 PolarHBondContact O-N 3.17Å
98	I	64.7	Low	59.2	Low	141 Å²	141	150.2 Å²	150.2	72%	0.723	79%	0.793	S	S	*	*			trans	-93.6	102	170.9	-62.4	164.6	0	0	0	106.8	F96 I100	F96-I98 PolarHBondContact O-N 2.83Å; I98-I100 HydrophobicContact CG2-CG1 4.18Å; I98-I100 PolarHBondContact O-N 3.25Å
99	A	61.8	Low	59.2	Low	87 Å²	87	144.6 Å²	144.6	72%	0.719	78%	0.779	S	S	*	*			trans	-75.5	99.7	170.3	0	0	0	0	0	108.8	P101	A99-P101 WeakPolarHBondContact O-CD 3.38Å
100	I	67.3	Low	59.7	Low	148 Å²	148	145.6 Å²	145.6	76%	0.759	78%	0.776	S	S	*	*			trans	-75.4	115	168.7	-56.8	173.7	0	0	0	106.4	I98	I98-I100 HydrophobicContact CG2-CG1 4.18Å; I98-I100 PolarHBondContact O-N 3.25Å
101	P	65.3	Low	59.4	Low	105 Å²	105	145.4 Å²	145.4	68%	0.682	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-60.5	140.6	178.3	24.8	-32.1	0	0	0	109.5	A99	A99-P101 WeakPolarHBondContact O-CD 3.38Å
102	P	65.3	Low	58.5	Low	112 Å²	112	141.9 Å²	141.9	73%	0.727	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-58.4	140	176.9	24.7	-32.5	0	0	0	109.3	E104	P102-E104 PolarHBondContact O-N 2.92Å
103	P	69.4	Low	57.2	Low	121 Å²	121	142.6 Å²	142.6	79%	0.786	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-57.8	128.3	177.3	23.5	-32	0	0	0	109.3	T105	P103-T105 PolarHBondContact O-N 2.88Å; P103-T105 VanDerWaalsContact O-N 3.12Å
104	E	59.4	Low	56.1	Low	180 Å²	180	143.2 Å²	143.2	84%	0.841	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-54.3	120.7	174.9	-74.4	-176.1	164.1	0	0	108.9	P102 I106	P102-E104 PolarHBondContact O-N 2.92Å; E104-I106 PolarHBondContact O-N 3.35Å
105	T	59.5	Low	55.1	Low	127 Å²	127	143.3 Å²	143.3	78%	0.779	76%	0.761	S	S	*	*			trans	-72.4	96.4	174.3	3	0	0	0	0	106.7	P103 I107	P103-T105 PolarHBondContact O-N 2.88Å; P103-T105 VanDerWaalsContact O-N 3.12Å; T105-I107 VanDerWaalsContact C-N 3.3Å; T105-I107 PolarHBondContact O-N 3.29Å
106	I	58.6	Low	53.8	Low	150 Å²	150	146.3 Å²	146.3	77%	0.769	77%	0.767	S	S	*	*			trans	-69.6	94.2	173.3	-59.5	166.8	0	0	0	106.8	E104 Y108	E104-I106 PolarHBondContact O-N 3.35Å; I106-Y108 PolarHBondContact O-N 3.22Å; I106-Y108 VanDerWaalsContact O-N 3.14Å
107	I	46.5	Very low	52.6	Low	148 Å²	148	145.8 Å²	145.8	76%	0.759	77%	0.766	S	S	*	*			trans	-76.1	98.6	173.8	-58.9	168.2	0	0	0	106.7	T105 S109	T105-I107 VanDerWaalsContact C-N 3.3Å; T105-I107 PolarHBondContact O-N 3.29Å; I107-S109 PolarHBondContact O-N 3.47Å
108	Y	51.2	Low	51.4	Low	196 Å²	196	142.4 Å²	142.4	77%	0.769	76%	0.761	S	S	*	*			trans	-79.1	95	169.6	-151.2	-89.6	0	0	0	108.3	I106 K110	I106-Y108 PolarHBondContact O-N 3.22Å; I106-Y108 VanDerWaalsContact O-N 3.14Å; Y108-K110 HydrophobicContact CD1-CG 4.08Å; Y108-K110 HydrophobicContact CE1-CG 4.31Å; Y108-K110 PolarHBondContact O-N 3.43Å
109	S	53.2	Low	49.7	Very low	87 Å²	87	145.3 Å²	145.3	61%	0.608	77%	0.771	S	S	*	*			trans	-72.4	104.1	167.6	55.5	0	0	0	0	108.2	I107 E111	I107-S109 PolarHBondContact O-N 3.47Å; S109-E111 PolarHBondContact O-N 3.32Å
110	K	53.4	Low	48.4	Very low	180 Å²	180	150.1 Å²	150.1	78%	0.783	78%	0.779	S	S	*	*			trans	-70.5	86.7	162	-77.8	-157.3	176.7	-173.6	0	107.8	Y108 T112	Y108-K110 HydrophobicContact CD1-CG 4.08Å; Y108-K110 HydrophobicContact CE1-CG 4.31Å; Y108-K110 PolarHBondContact O-N 3.43Å; K110-T112 PolarHBondContact O-N 2.75Å; K110-T112 VanDerWaalsContact O-N 3.17Å
111	E	42.3	Very low	46.7	Very low	174 Å²	174	154.7 Å²	154.7	81%	0.813	79%	0.786	S	S	*	*			trans	-66.8	109.2	154.5	-75.9	-173.5	166.9	0	0	106.4	S109 Q113	S109-E111 PolarHBondContact O-N 3.32Å; E111-Q113 VanDerWaalsContact C-N 3.32Å; E111-Q113 PolarHBondContact O-N 3.15Å
112	T	44.5	Very low	45	Very low	115 Å²	115	158.6 Å²	158.6	71%	0.706	80%	0.796	S	S	*	*			trans	-61.6	96	174.4	-38.1	0	0	0	0	107.4	K110 T114	K110-T112 PolarHBondContact O-N 2.75Å; K110-T112 VanDerWaalsContact O-N 3.17Å; T112-T114 HydrophobicContact CG2-CG2 4.05Å; T112-T114 PolarHBondContact O-N 2.84Å
113	Q	36.6	Very low	43.4	Very low	179 Å²	179	160.3 Å²	160.3	84%	0.836	80%	0.804	S	S	*	*			trans	-73.9	84	172.2	-157.8	173	35.6	0	0	107.3	E111 L115	E111-Q113 VanDerWaalsContact C-N 3.32Å; E111-Q113 PolarHBondContact O-N 3.15Å; Q113-L115 PolarHBondContact O-N 2.93Å; Q113-L115 VanDerWaalsContact O-N 3.13Å
114	T	38.4	Very low	41.6	Very low	113 Å²	113	158.3 Å²	158.3	69%	0.693	81%	0.805	S	S	*	*			trans	-71.6	99.3	169.9	48.3	0	0	0	0	107.6	T112 E116	T112-T114 HydrophobicContact CG2-CG2 4.05Å; T112-T114 PolarHBondContact O-N 2.84Å; T114-E116 PolarHBondContact O-N 3.12Å
115	L	41.3	Very low	40.2	Very low	145 Å²	145	161.3 Å²	161.3	76%	0.759	81%	0.809	S	S	*	*			trans	-70.9	119.9	160	-71.8	170.6	0	0	0	107.2	Q113 E117	Q113-L115 PolarHBondContact O-N 2.93Å; Q113-L115 VanDerWaalsContact O-N 3.13Å; L115-E117 PolarHBondContact O-N 2.85Å
116	E	31.7	Very low	38.9	Very low	196 Å²	196	159.5 Å²	159.5	92%	0.916	80%	0.801	S	S	*	*			trans	-65.8	94.7	172.5	-67	-178.6	157.3	0	0	108.5	T114	T114-E116 PolarHBondContact O-N 3.12Å
117	E	35.4	Very low	37.7	Very low	176 Å²	176	158.9 Å²	158.9	82%	0.822	80%	0.804	S	S	*	*			trans	-87.6	139.7	167.9	-80.4	-167.7	162.9	0	0	111	L115	L115-E117 PolarHBondContact O-N 2.85Å
118	P	33.4	Very low	36.9	Very low	111 Å²	111	157.4 Å²	157.4	72%	0.721	80%	0.798	S	S	*	*			trans	-74.9	146.1	-167.3	3.6	12.9	0	0	0	111.2	E120	P118-E120 PolarHBondContact O-N 3.02Å
119	Q	29.2	Very low	35.9	Very low	201 Å²	201	158.5 Å²	158.5	94%	0.939	80%	0.803	S	S	*	*			trans	-52.4	90.2	176.1	-70	174.7	-50.1	0	0	112.8
120	E	33.9	Very low	34.9	Very low	189 Å²	189	165 Å²	165	88%	0.883	82%	0.815	S	S	*	*			trans	-100.2	122.7	162.2	-71.2	-163.2	166.9	0	0	110.2	P118	P118-E120 PolarHBondContact O-N 3.02Å
121	R	32.5	Very low	33.7	Very low	243 Å²	243	161.8 Å²	161.8	92%	0.917	81%	0.811	S	S	*	*			trans	-46.9	127.8	-170.5	-72.6	166.1	172.7	173.8	-3	113.9	T123	R121-T123 PolarHBondContact O-N 3.34Å
122	E	29	Very low	33	Very low	188 Å²	188	161.1 Å²	161.1	88%	0.879	81%	0.812	S	S	*	*	S	Bend	trans	-28	111.6	155.9	-61.7	170.7	166.9	0	0	113.3
123	T	31.5	Very low	32.3	Very low	148 Å²	148	160.7 Å²	160.7	91%	0.908	81%	0.809	S	S	*	*			trans	-176.6	84.7	136.2	49.8	0	0	0	0	108.4	R121	R121-T123 PolarHBondContact O-N 3.34Å
124	G	31.4	Very low	32.1	Very low	78 Å²	78	162 Å²	162	80%	0.804	81%	0.808	S	S	*	*			trans	-157	111.9	178.2	0	0	0	0	0	110.9
125	R	31.6	Very low	31.8	Very low	244 Å²	244	163.7 Å²	163.7	92%	0.921	81%	0.813	S	S	*	*			trans	-58.6	135.2	-170.7	-67.7	170.4	170.9	-176.4	-5.5	112
126	S	32.1	Very low	31.4	Very low	88 Å²	88	166.2 Å²	166.2	62%	0.615	82%	0.821	S	S	*	*			trans	-55	136.5	169.5	47.6	0	0	0	0	110.1	D128	S126-D128 VanDerWaalsContact C-N 3.26Å; S126-D128 PolarHBondContact O-N 2.77Å; S126-D128 PolarHBondContact OG-OD1 3.21Å; S126-D128 VanDerWaalsContact OG-OD1 3.12Å
127	T	32.6	Very low	31.4	Very low	137 Å²	137	159.5 Å²	159.5	84%	0.84	80%	0.804	S	S	*	*			trans	-69.6	83.6	176.1	-49.1	0	0	0	0	108.9	Y129	T127-Y129 PolarHBondContact O-N 3.18Å
128	D	30.4	Very low	31.3	Very low	118 Å²	118	157.5 Å²	157.5	63%	0.631	80%	0.799	S	S	*	*			trans	-70.9	122	179.6	-66.7	-20.1	0	0	0	109.8	S126 Y130	S126-D128 VanDerWaalsContact C-N 3.26Å; S126-D128 PolarHBondContact O-N 2.77Å; S126-D128 PolarHBondContact OG-OD1 3.21Å; S126-D128 VanDerWaalsContact OG-OD1 3.12Å; D128-Y130 PolarHBondContact O-N 3.18Å
129	Y	29.4	Very low	31.2	Very low	219 Å²	219	164.3 Å²	164.3	86%	0.859	81%	0.81	S	S	*	*			trans	-63.9	119.3	171.1	-101.8	-103.6	0	0	0	109.3	T127 V131	T127-Y129 PolarHBondContact O-N 3.18Å; Y129-V131 PolarHBondContact O-N 3.13Å
130	Y	32	Very low	31.8	Very low	222 Å²	222	160.1 Å²	160.1	87%	0.871	80%	0.795	S	S	*	*			trans	-71.2	92.5	171.7	-58.8	-83	0	0	0	109.9	D128	D128-Y130 PolarHBondContact O-N 3.18Å
131	V	29.5	Very low	32.2	Very low	114 Å²	114	160.3 Å²	160.3	69%	0.691	80%	0.795	S	S	*	*			trans	-79.3	114.8	157.8	-177.2	0	0	0	0	106.1	Y129 T133	Y129-V131 PolarHBondContact O-N 3.13Å; V131-T133 HydrophobicContact CG1-CG2 3.9Å; V131-T133 PolarHBondContact O-N 3.39Å
132	L	27.1	Very low	32.9	Very low	159 Å²	159	154.7 Å²	154.7	83%	0.832	79%	0.788	S	S	*	*			trans	-74.1	79.3	173	-70.1	167.9	0	0	0	108.8
133	T	29.4	Very low	33.9	Very low	106 Å²	106	151.2 Å²	151.2	65%	0.65	78%	0.775	S	S	*	*			trans	-86.2	121.4	160.6	50.2	0	0	0	0	108	V131 D135	V131-T133 HydrophobicContact CG1-CG2 3.9Å; V131-T133 PolarHBondContact O-N 3.39Å; T133-D135 PolarHBondContact O-N 3.28Å; T133-D135 VanDerWaalsContact O-N 3.12Å
134	Y	32.8	Very low	34.6	Very low	206 Å²	206	147.2 Å²	147.2	81%	0.808	76%	0.757	S	S	*	*			trans	-71.3	99.1	164.3	-72.7	-91.8	0	0	0	106.8	E136	Y134-E136 PolarHBondContact O-N 3.16Å
135	D	32.2	Very low	35.6	Very low	150 Å²	150	149.6 Å²	149.6	80%	0.802	75%	0.752	S	S	*	*			trans	-79.2	100.9	174.4	-146.9	3.1	0	0	0	107.2	T133 G137	T133-D135 PolarHBondContact O-N 3.28Å; T133-D135 VanDerWaalsContact O-N 3.12Å; D135-G137 PolarHBondContact O-N 3.48Å
136	E	33.2	Very low	37	Very low	198 Å²	198	140.7 Å²	140.7	93%	0.925	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	11.2	-179.7	-73	-153.6	142.1	0	0	113.8	Y134	Y134-E136 PolarHBondContact O-N 3.16Å
137	G	30.5	Very low	37.9	Very low	55 Å²	55	138.8 Å²	138.8	57%	0.567	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-28.9	-164.3	0	0	0	0	0	117.8	D135	D135-G137 PolarHBondContact O-N 3.48Å
138	N	33.7	Very low	38.9	Very low	134 Å²	134	137.1 Å²	137.1	72%	0.717	71%	0.705	S	S	*	*			trans	-127	98.9	-170.7	-100.2	42	0	0	0	113.2	D140	N138-D140 PolarHBondContact ND2-OD2 3.09Å; N138-D140 PolarHBondContact O-N 2.98Å
139	R	31.9	Very low	40.1	Very low	253 Å²	253	134 Å²	134	96%	0.955	70%	0.695	S	S	*	*			trans	-73.3	29.5	173.3	-125.9	179.3	-169.6	175.9	3.6	113.4	E141	R139-E141 PolarHBondContact O-N 3.43Å
140	D	41.4	Very low	41.3	Very low	114 Å²	114	129.9 Å²	129.9	61%	0.61	68%	0.684	S	S	*	*			trans	-75.5	121.3	179.7	-68.5	-34.2	0	0	0	108.7	N138 V142	N138-D140 PolarHBondContact ND2-OD2 3.09Å; N138-D140 PolarHBondContact O-N 2.98Å; D140-V142 PolarHBondContact O-N 2.85Å
141	E	41.7	Very low	42.2	Very low	192 Å²	192	124.8 Å²	124.8	90%	0.897	67%	0.671	S	S	*	*			trans	-38.7	94.3	177.8	-65.3	177.8	156.6	0	0	110.7	R139 D143	R139-E141 PolarHBondContact O-N 3.43Å; E141-D143 PolarHBondContact O-N 3.44Å
142	V	47.4	Very low	43.2	Very low	125 Å²	125	124.6 Å²	124.6	76%	0.758	66%	0.663	S	S	*	*			trans	-65.2	107.5	176.3	-179.6	0	0	0	0	105.8	D140 A144	D140-V142 PolarHBondContact O-N 2.85Å; V142-A144 PolarHBondContact O-N 2.99Å
143	D	49.4	Very low	44.3	Very low	116 Å²	116	125.1 Å²	125.1	62%	0.62	66%	0.658	S	S	*	*			trans	-46.9	100.3	179.4	-114.4	-33	0	0	0	108.9	E141 N145 A146 A147	E141-D143 PolarHBondContact O-N 3.44Å; D143-N145 PolarHBondContact O-N 2.81Å; D143-A146 HydrophobicContact CB-CB 4.17Å; D143-A146 WeakPolarHBondContact O-CB 3.3Å; D143-A146 PolarHBondContact O-N 3.45Å; D143-A147 PolarHBondContact O-N 3.28Å
144	A	46.3	Very low	45.1	Very low	64 Å²	64	126 Å²	126	53%	0.529	66%	0.656	S	S	.	*	H	α-helix	trans	-55.7	-26.1	-176.5	0	0	0	0	0	111.3	V142 L148	V142-A144 PolarHBondContact O-N 2.99Å; A144-L148 WeakPolarHBondContact O-CB 3.24Å; A144-L148 PolarHBondContact O-N 3.37Å
145	N	53.4	Low	45.5	Very low	128 Å²	128	122 Å²	122	68%	0.684	66%	0.656	S	S	*	*	H	α-helix	trans	-66.2	-36.4	174.5	-65.8	-25.6	0	0	0	113.2	D143 A149	D143-N145 PolarHBondContact O-N 2.81Å; N145-A149 WeakPolarHBondContact O-CB 3.46Å; N145-A149 PolarHBondContact O-N 3.15Å
146	A	59.6	Low	46	Very low	57 Å²	57	121 Å²	121	47%	0.471	65%	0.646	S	S	.	*	H	α-helix	trans	-72.4	-40.7	177.7	0	0	0	0	0	111.3	D143 A149 E150	D143-A146 HydrophobicContact CB-CB 4.17Å; D143-A146 WeakPolarHBondContact O-CB 3.3Å; D143-A146 PolarHBondContact O-N 3.45Å; A146-A149 PolarHBondContact O-N 3.39Å; A146-E150 PolarHBondContact O-N 2.89Å
147	A	52.3	Low	46.2	Very low	47 Å²	47	119.5 Å²	119.5	39%	0.388	64%	0.643	S	S	.	*	H	α-helix	trans	-63.7	-40.3	173.5	0	0	0	0	0	111.8	D143 E150 L151	D143-A147 PolarHBondContact O-N 3.28Å; A147-E150 PolarHBondContact O-N 3.09Å; A147-L151 PolarHBondContact O-N 2.97Å
148	L	52.6	Low	46.2	Very low	103 Å²	103	120 Å²	120	54%	0.539	65%	0.648	S	S	.	*	H	α-helix	trans	-64.3	-40	173.6	-111.7	119.4	0	0	0	112.4	A144 L151 E152	A144-L148 WeakPolarHBondContact O-CB 3.24Å; A144-L148 PolarHBondContact O-N 3.37Å; L148-L151 WeakPolarHBondContact O-CB 3.08Å; L148-L151 PolarHBondContact O-N 2.83Å; L148-E152 PolarHBondContact O-N 2.73Å
149	A	57.1	Low	46.2	Very low	51 Å²	51	119.8 Å²	119.8	42%	0.421	65%	0.652	S	S	.	*	H	α-helix	trans	-68.4	-33.3	178.7	0	0	0	0	0	113	N145 A146 K153	N145-A149 WeakPolarHBondContact O-CB 3.46Å; N145-A149 PolarHBondContact O-N 3.15Å; A146-A149 PolarHBondContact O-N 3.39Å; A149-K153 PolarHBondContact O-N 3.01Å
150	E	54.7	Low	46.1	Very low	133 Å²	133	113.4 Å²	113.4	62%	0.621	64%	0.641	S	S	*	*	H	α-helix	trans	-65.7	-41.4	169.7	-92.4	-101.5	136.1	0	0	111.5	A146 A147 K153	A146-E150 PolarHBondContact O-N 2.89Å; A147-E150 PolarHBondContact O-N 3.09Å; E150-K153 PolarHBondContact O-N 3.44Å
151	L	49.6	Very low	45.6	Very low	116 Å²	116	116.5 Å²	116.5	61%	0.607	65%	0.649	S	S	*	*	H	α-helix	trans	-65.6	-35.5	175.4	-99.3	146.9	0	0	0	113.1	A147 L148 K153 M154 H156	A147-L151 PolarHBondContact O-N 2.97Å; L148-L151 WeakPolarHBondContact O-CB 3.08Å; L148-L151 PolarHBondContact O-N 2.83Å; L151-K153 VanDerWaalsContact C-N 3.27Å; L151-K153 PolarHBondContact O-N 3.04Å; L151-M154 PolarHBondContact O-N 2.92Å; L151-H156 PolarHBondContact O-CE1 3.01Å
152	E	50.9	Low	45.3	Very low	110 Å²	110	113.6 Å²	113.6	51%	0.514	64%	0.644	S	S	.	*	H	α-helix	trans	-71.3	-18.1	174.6	-74.2	-164.6	157.6	0	0	113.5	L148 M154 K161	L148-E152 PolarHBondContact O-N 2.73Å; E152-M154 VanDerWaalsContact C-N 3.3Å; E152-K161 IonicContact OE1-NZ 3.27Å; E152-K161 PolarHBondContact OE1-NZ 3.48Å
153	K	51.1	Low	44.4	Very low	170 Å²	170	111.2 Å²	111.2	74%	0.739	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-13.9	172.9	-78	177.9	-178.2	172.5	0	113.2	A149 E150 L151	A149-K153 PolarHBondContact O-N 3.01Å; E150-K153 PolarHBondContact O-N 3.44Å; L151-K153 VanDerWaalsContact C-N 3.27Å; L151-K153 PolarHBondContact O-N 3.04Å
154	M	44.9	Very low	43.5	Very low	123 Å²	123	113.5 Å²	113.5	61%	0.606	65%	0.652	S	S	*	*	S	Bend	trans	-78.3	132.5	174.9	-68	-159.9	171.9	0	0	110.1	L151 E152 H156	L151-M154 PolarHBondContact O-N 2.92Å; E152-M154 VanDerWaalsContact C-N 3.3Å; M154-H156 PolarHBondContact O-N 3.24Å
155	P	41	Very low	42.7	Very low	124 Å²	124	116.5 Å²	116.5	81%	0.805	67%	0.669	S	S	*	*			trans	-63.5	108.2	-178.1	-5	16.5	0	0	0	109	I157	P155-I157 PolarHBondContact O-N 3.15Å
156	H	43.4	Very low	41.6	Very low	129 Å²	129	120.4 Å²	120.4	60%	0.597	67%	0.674	S	S	*	*			trans	-64.2	106.8	-177.8	-58	-63	0	0	0	110.3	L151 M154 G158	L151-H156 PolarHBondContact O-CE1 3.01Å; M154-H156 PolarHBondContact O-N 3.24Å; H156-G158 PolarHBondContact O-N 2.97Å
157	I	36.5	Very low	40.1	Very low	165 Å²	165	121.8 Å²	121.8	85%	0.846	69%	0.693	S	S	*	*			trans	-67	90	155.4	-72.9	158.8	0	0	0	106	P155 V159	P155-I157 PolarHBondContact O-N 3.15Å; I157-V159 PolarHBondContact O-N 3.34Å; I157-V159 VanDerWaalsContact O-N 3.14Å
158	G	32	Very low	39.1	Very low	67 Å²	67	127.3 Å²	127.3	69%	0.691	72%	0.715	S	S	*	*	S	Bend	trans	40	58.5	157.9	0	0	0	0	0	118	H156	H156-G158 PolarHBondContact O-N 2.97Å
159	V	32.5	Very low	37.9	Very low	129 Å²	129	130.3 Å²	130.3	78%	0.782	73%	0.731	S	S	*	*			trans	-112.9	87.4	161.3	-169.7	0	0	0	0	107.7	I157 K161	I157-V159 PolarHBondContact O-N 3.34Å; I157-V159 VanDerWaalsContact O-N 3.14Å; V159-K161 PolarHBondContact O-N 2.84Å
160	T	31.3	Very low	36.6	Very low	118 Å²	118	135 Å²	135	72%	0.724	75%	0.749	S	S	*	*			trans	-68.2	119.6	173.1	48.5	0	0	0	0	109.2	T162	T160-T162 PolarHBondContact O-N 3.27Å
161	K	30.8	Very low	35.5	Very low	180 Å²	180	138.2 Å²	138.2	78%	0.783	76%	0.761	S	S	*	*			trans	-49.3	103.9	171.9	-70.2	176.5	176.8	173.6	0	110.6	E152 V159	E152-K161 IonicContact OE1-NZ 3.27Å; E152-K161 PolarHBondContact OE1-NZ 3.48Å; V159-K161 PolarHBondContact O-N 2.84Å
162	T	34.1	Very low	34.5	Very low	130 Å²	130	141.2 Å²	141.2	80%	0.798	78%	0.776	S	S	*	*			trans	-116.2	67.9	154.4	58.8	0	0	0	0	108.7	T160 Q164	T160-T162 PolarHBondContact O-N 3.27Å; T162-Q164 VanDerWaalsContact C-N 3.28Å; T162-Q164 PolarHBondContact O-N 3.01Å
163	G	27.9	Very low	33.5	Very low	75 Å²	75	144 Å²	144	77%	0.773	80%	0.795	S	S	*	*			trans	-68.4	93.2	156.3	0	0	0	0	0	108
164	Q	31.7	Very low	32.5	Very low	165 Å²	165	139 Å²	139	77%	0.771	79%	0.791	S	S	*	*			trans	-166.2	94.8	150.2	-105.9	170.6	41.2	0	0	107.9	T162 R166	T162-Q164 VanDerWaalsContact C-N 3.28Å; T162-Q164 PolarHBondContact O-N 3.01Å; Q164-R166 PolarHBondContact O-N 3.16Å
165	S	28.4	Very low	31.7	Very low	127 Å²	127	141.6 Å²	141.6	89%	0.888	81%	0.806	S	S	*	*			trans	-45.3	97.7	161.2	52.2	0	0	0	0	110.8
166	R	30.6	Very low	31.2	Very low	210 Å²	210	146.5 Å²	146.5	79%	0.792	81%	0.808	S	S	*	*			trans	-133.2	116.7	157.4	-78.1	-170.6	155.2	168.7	-5.5	106.6	Q164 I168	Q164-R166 PolarHBondContact O-N 3.16Å; R166-I168 PolarHBondContact O-N 3.48Å
167	G	28.4	Very low	30.5	Very low	85 Å²	85	146 Å²	146	88%	0.876	81%	0.814	S	S	*	*			trans	-52	119.1	-177.5	0	0	0	0	0	111.2
168	I	31.8	Very low	30	Very low	164 Å²	164	143.4 Å²	143.4	84%	0.841	81%	0.811	S	S	*	*			trans	-112.2	71.1	167	-56.7	171.4	0	0	0	105.2	R166	R166-I168 PolarHBondContact O-N 3.48Å
169	L	27	Very low	30	Very low	165 Å²	165	146.4 Å²	146.4	86%	0.864	82%	0.816	S	S	*	*			trans	-132	36.9	166.2	-163	95.9	0	0	0	110.1
170	D	31.1	Very low	29.9	Very low	151 Å²	151	148.4 Å²	148.4	81%	0.807	82%	0.822	S	S	*	*	S	Bend	trans	-147.4	131	168.3	-100.6	-28.3	0	0	0	109.6
171	K	30.7	Very low	30	Very low	200 Å²	200	146.3 Å²	146.3	87%	0.87	82%	0.824	S	S	*	*			trans	95.4	51.5	177.4	-53.6	178.4	178.8	178.9	0	116.9
172	L	28.3	Very low	29.9	Very low	178 Å²	178	143.9 Å²	143.9	93%	0.932	82%	0.824	S	S	*	*			trans	-99.4	71	143.7	-95.2	151.5	0	0	0	108.1
173	D	31.1	Very low	29.8	Very low	169 Å²	169	145.5 Å²	145.5	90%	0.904	83%	0.828	S	S	*	*			trans	-163.3	128.2	158.4	-122.9	-13.8	0	0	0	110.7
174	G	29.5	Very low	29.9	Very low	64 Å²	64	149.4 Å²	149.4	66%	0.66	83%	0.826	S	S	*	*			trans	120.1	54.1	173.5	0	0	0	0	0	115.9	R176	G174-R176 VanDerWaalsContact C-N 3.34Å; G174-R176 PolarHBondContact O-N 3.38Å
175	I	28.7	Very low	29.9	Very low	178 Å²	178	148 Å²	148	91%	0.913	82%	0.824	S	S	*	*			trans	-63.4	96.8	155.8	-62.6	170.1	0	0	0	107.2
176	R	29.4	Very low	30.2	Very low	227 Å²	227	148.6 Å²	148.6	86%	0.857	82%	0.822	S	S	*	*			trans	-133.5	102.7	167.6	-76.9	-170.6	177	178.2	0.6	110.6	G174	G174-R176 VanDerWaalsContact C-N 3.34Å; G174-R176 PolarHBondContact O-N 3.38Å
177	T	28.4	Very low	30.5	Very low	118 Å²	118	143.4 Å²	143.4	72%	0.724	82%	0.818	S	S	*	*			trans	47	97	135.4	61.6	0	0	0	0	118.6
178	S	25.9	Very low	31.1	Very low	111 Å²	111	146.5 Å²	146.5	78%	0.776	81%	0.814	S	S	*	*				30.7	108	126	59.7	0	0	0	0	118.8
179	T	33.1	Very low	31.6	Very low	131 Å²	131	145.5 Å²	145.5	80%	0.804	81%	0.811	S	S	*	*			trans	-160.3	118.2	144.2	46	0	0	0	0	110.3
180	D	29.6	Very low	32.5	Very low	171 Å²	171	143.9 Å²	143.9	91%	0.914	81%	0.807	S	S	*	*			trans	31.3	119	143.1	-58.3	-20.6	0	0	0	120
181	G	32.7	Very low	33.2	Very low	73 Å²	73	144.7 Å²	144.7	75%	0.753	81%	0.806	S	S	*	*			trans	174.4	88.9	166.3	0	0	0	0	0	111.4	D183	G181-D183 PolarHBondContact O-N 2.99Å
182	V	29.3	Very low	34	Very low	129 Å²	129	145.6 Å²	145.6	78%	0.782	80%	0.804	S	S	*	*			trans	-65.2	108.8	172.1	175.5	0	0	0	0	108.5	E184	V182-E184 HydrophobicContact CG1-CG 4.37Å
183	D	32.8	Very low	35	Very low	165 Å²	165	143.6 Å²	143.6	88%	0.882	80%	0.795	S	S	*	*			trans	-129.7	102.6	158.8	-83.9	-35.1	0	0	0	108	G181	G181-D183 PolarHBondContact O-N 2.99Å
184	E	30.3	Very low	36.3	Very low	157 Å²	157	142.2 Å²	142.2	73%	0.734	79%	0.787	S	S	*	*			trans	-68.7	145.3	173.7	-66.9	-175.4	147.8	0	0	110.8	V182	V182-E184 HydrophobicContact CG1-CG 4.37Å
185	N	31.9	Very low	37.8	Very low	135 Å²	135	146.5 Å²	146.5	72%	0.722	79%	0.793	S	S	*	*	S	Bend	trans	69	91.1	153	-58	-26.7	0	0	0	117
186	T	33.5	Very low	39.6	Very low	139 Å²	139	145.3 Å²	145.3	85%	0.853	79%	0.787	S	S	*	*			trans	-180	31.6	137	32.7	0	0	0	0	113.2	N188	T186-N188 VanDerWaalsContact C-N 3.31Å; T186-N188 PolarHBondContact O-N 3.28Å
187	S	37.8	Very low	41.4	Very low	101 Å²	101	143.1 Å²	143.1	71%	0.706	79%	0.787	S	S	*	*			trans	-75.9	91.5	163.4	53.7	0	0	0	0	108.2	D189	S187-D189 VanDerWaalsContact C-N 3.27Å; S187-D189 PolarHBondContact O-N 2.97Å
188	N	39.9	Very low	43.3	Very low	151 Å²	151	141.4 Å²	141.4	81%	0.807	77%	0.771	S	S	*	*			trans	-53.4	102.5	156.3	-77.7	-31.5	0	0	0	106.3	T186 V190	T186-N188 VanDerWaalsContact C-N 3.31Å; T186-N188 PolarHBondContact O-N 3.28Å; N188-V190 PolarHBondContact O-N 3.04Å
189	D	43	Very low	45.9	Very low	142 Å²	142	138.5 Å²	138.5	76%	0.759	75%	0.751	S	S	*	*			trans	-55.7	93.7	168.6	-73.9	-37.4	0	0	0	106.5	S187 Q191	S187-D189 VanDerWaalsContact C-N 3.27Å; S187-D189 PolarHBondContact O-N 2.97Å; D189-Q191 PolarHBondContact O-N 3.36Å
190	V	46.7	Very low	48.1	Very low	131 Å²	131	140.4 Å²	140.4	79%	0.794	75%	0.751	S	S	*	*			trans	-54	101	156.7	176.1	0	0	0	0	102.6	N188 R192	N188-V190 PolarHBondContact O-N 3.04Å; V190-R192 PolarHBondContact O-N 3.09Å
191	Q	45.8	Very low	50.4	Low	169 Å²	169	140.1 Å²	140.1	79%	0.79	74%	0.744	S	S	*	*			trans	-49.9	99.7	175.5	-76.1	174.8	-10.4	0	0	105	D189 N193	D189-Q191 PolarHBondContact O-N 3.36Å; Q191-N193 VanDerWaalsContact C-N 3.28Å; Q191-N193 PolarHBondContact O-N 3.39Å
192	R	45.7	Very low	52.6	Low	219 Å²	219	141 Å²	141	83%	0.826	73%	0.729	S	S	*	*			trans	-53.9	111.6	162	-88.8	177.3	169.2	164.5	-2.7	101.5	V190 D194	V190-R192 PolarHBondContact O-N 3.09Å; R192-D194 PolarHBondContact O-N 3.07Å
193	N	51	Low	54.9	Low	136 Å²	136	140.1 Å²	140.1	73%	0.727	71%	0.714	S	S	*	*			trans	-55.1	96.2	167.2	-76.7	-24.6	0	0	0	104	Q191 I195	Q191-N193 VanDerWaalsContact C-N 3.28Å; Q191-N193 PolarHBondContact O-N 3.39Å; N193-I195 VanDerWaalsContact C-N 3.33Å; N193-I195 PolarHBondContact O-N 3.08Å
194	D	57.8	Low	57.2	Low	139 Å²	139	135 Å²	135	74%	0.743	70%	0.695	S	S	*	*			trans	-58.2	108.1	178.7	-76.9	-32.3	0	0	0	103.9	R192 I196	R192-D194 PolarHBondContact O-N 3.07Å; D194-I196 VanDerWaalsContact C-N 3.3Å; D194-I196 PolarHBondContact O-N 2.75Å
195	I	61.1	Low	59.7	Low	155 Å²	155	134.2 Å²	134.2	80%	0.795	69%	0.691	S	S	*	*			trans	-57.4	103.6	179.2	-63.4	164.8	0	0	0	104.1	N193 Q197	N193-I195 VanDerWaalsContact C-N 3.33Å; N193-I195 PolarHBondContact O-N 3.08Å; I195-Q197 VanDerWaalsContact C-N 3.35Å; I195-Q197 PolarHBondContact O-N 2.79Å
196	I	66.4	Low	62	Low	153 Å²	153	131.8 Å²	131.8	79%	0.785	68%	0.678	S	S	*	*			trans	-57.9	104.7	-179.1	-64.4	169.8	0	0	0	105.4	D194 M198	D194-I196 VanDerWaalsContact C-N 3.3Å; D194-I196 PolarHBondContact O-N 2.75Å; I196-M198 VanDerWaalsContact C-N 3.25Å; I196-M198 PolarHBondContact O-N 3.03Å
197	Q	66.8	Low	64.3	Low	181 Å²	181	129.9 Å²	129.9	85%	0.846	66%	0.662	S	S	*	*			trans	-71.9	91.9	177.1	-70.5	-173.8	5.6	0	0	106.6	I195	I195-Q197 VanDerWaalsContact C-N 3.35Å; I195-Q197 PolarHBondContact O-N 2.79Å
198	M	68.4	Low	66.6	Low	81 Å²	81	129 Å²	129	40%	0.399	66%	0.656	S	S	.	*			trans	-55.5	137.4	172.2	-160.9	112.1	63.3	0	0	109.2	I196 E202 K203 L206	I196-M198 VanDerWaalsContact C-N 3.25Å; I196-M198 PolarHBondContact O-N 3.03Å; M198-E202 HydrophobicContact CG-CB 3.51Å; M198-E202 HydrophobicContact CG-CG 4.46Å; M198-E202 WeakPolarHBondContact CG-OE2 3.26Å; M198-E202 HydrophobicContact SD-CB 4.25Å; M198-K203 HydrophobicContact CB-CG 4.22Å; M198-K203 HydrophobicContact CG-CG 4.35Å; M198-K203 VanDerWaalsContact O-CE 3.28Å; M198-K203 WeakPolarHBondContact O-CE 3.34Å; M198-L206 HydrophobicContact CE-CD1 3.35Å; M198-L206 HydrophobicContact SD-CD1 4.01Å
199	S	80.5	Confident	68.8	Low	51 Å²	51	124.2 Å²	124.2	36%	0.357	63%	0.634	S	S	.	*			trans	-61	153.8	178.6	66.8	0	0	0	0	110.9	E201 E202 K203	S199-E201 PolarHBondContact O-N 3.06Å; S199-E202 WeakPolarHBondContact CB-OE2 3.09Å; S199-E202 PolarHBondContact N-OE2 3.39Å; S199-E202 PolarHBondContact O-N 3.42Å; S199-E202 WeakPolarHBondContact OG-CB 3.47Å; S199-E202 WeakPolarHBondContact OG-CG 3.35Å; S199-E202 PolarHBondContact OG-N 2.74Å; S199-E202 PolarHBondContact OG-OE2 2.86Å; S199-K203 WeakPolarHBondContact O-CG 3.23Å; S199-K203 PolarHBondContact O-N 2.86Å
200	E	78.8	Confident	71	Confident	170 Å²	170	121.7 Å²	121.7	79%	0.794	62%	0.62	S	S	*	*	H	α-helix	trans	-61.9	-32.2	-179.8	-165.3	171.8	-172.3	0	0	111.9	K203 A204	E200-K203 PolarHBondContact O-N 2.9Å; E200-A204 PolarHBondContact O-N 2.89Å
201	E	77.5	Confident	72.8	Confident	166 Å²	166	118.8 Å²	118.8	78%	0.776	61%	0.61	S	S	*	*	H	α-helix	trans	-68.4	-45.3	175.1	-64.8	-179.2	177.7	0	0	112.2	S199 K203 A204 Q205	S199-E201 PolarHBondContact O-N 3.06Å; E201-K203 VanDerWaalsContact C-N 3.28Å; E201-K203 PolarHBondContact O-N 3.43Å; E201-A204 PolarHBondContact O-N 2.83Å; E201-Q205 WeakPolarHBondContact O-CB 3.28Å; E201-Q205 PolarHBondContact O-N 2.87Å
202	E	79.4	Confident	74.9	Confident	92 Å²	92	114.2 Å²	114.2	43%	0.43	59%	0.588	S	S	.	*	H	α-helix	trans	-63.4	-36.2	174.9	-74	165.2	149.1	0	0	111.3	M198 S199 Q205 L206	M198-E202 HydrophobicContact CG-CB 3.51Å; M198-E202 HydrophobicContact CG-CG 4.46Å; M198-E202 WeakPolarHBondContact CG-OE2 3.26Å; M198-E202 HydrophobicContact SD-CB 4.25Å; S199-E202 WeakPolarHBondContact CB-OE2 3.09Å; S199-E202 PolarHBondContact N-OE2 3.39Å; S199-E202 PolarHBondContact O-N 3.42Å; S199-E202 WeakPolarHBondContact OG-CB 3.47Å; S199-E202 WeakPolarHBondContact OG-CG 3.35Å; S199-E202 PolarHBondContact OG-N 2.74Å; S199-E202 PolarHBondContact OG-OE2 2.86Å; E202-Q205 PolarHBondContact O-N 2.96Å; E202-L206 WeakPolarHBondContact O-CB 3.41Å; E202-L206 VanDerWaalsContact O-CG 3.28Å; E202-L206 WeakPolarHBondContact O-CG 3.42Å; E202-L206 PolarHBondContact O-N 3.28Å
203	K	78.4	Confident	76.8	Confident	110 Å²	110	107.5 Å²	107.5	48%	0.478	57%	0.568	S	S	.	*	H	α-helix	trans	-62.8	-46	172.3	-71.2	175.6	-176.6	170.9	0	111.2	M198 S199 E200 E201 Q205 L206 L207	M198-K203 HydrophobicContact CB-CG 4.22Å; M198-K203 HydrophobicContact CG-CG 4.35Å; M198-K203 VanDerWaalsContact O-CE 3.28Å; M198-K203 WeakPolarHBondContact O-CE 3.34Å; S199-K203 WeakPolarHBondContact O-CG 3.23Å; S199-K203 PolarHBondContact O-N 2.86Å; E200-K203 PolarHBondContact O-N 2.9Å; E201-K203 VanDerWaalsContact C-N 3.28Å; E201-K203 PolarHBondContact O-N 3.43Å; K203-Q205 VanDerWaalsContact C-N 3.3Å; K203-Q205 PolarHBondContact O-N 2.88Å; K203-L206 PolarHBondContact O-N 3.42Å; K203-L207 WeakPolarHBondContact O-CB 3.29Å; K203-L207 VanDerWaalsContact O-CG 3.25Å; K203-L207 WeakPolarHBondContact O-CG 3.22Å; K203-L207 PolarHBondContact O-N 2.85Å
204	A	79.9	Confident	78.3	Confident	57 Å²	57	108.6 Å²	108.6	47%	0.471	56%	0.562	S	S	.	*	H	α-helix	trans	-63.1	-37.2	176.4	0	0	0	0	0	112.1	E200 E201 L207 S208	E200-A204 PolarHBondContact O-N 2.89Å; E201-A204 PolarHBondContact O-N 2.83Å; A204-L207 PolarHBondContact O-N 3.14Å; A204-S208 WeakPolarHBondContact O-CB 3.29Å; A204-S208 PolarHBondContact O-N 3.09Å; A204-S208 PolarHBondContact O-OG 3.17Å
205	Q	82.9	Confident	79.7	Confident	141 Å²	141	108.4 Å²	108.4	66%	0.659	56%	0.555	S	S	*	*	H	α-helix	trans	-67.4	-39.1	174.5	-169.3	176.6	5.5	0	0	112.1	E201 E202 K203 S208 S209	E201-Q205 WeakPolarHBondContact O-CB 3.28Å; E201-Q205 PolarHBondContact O-N 2.87Å; E202-Q205 PolarHBondContact O-N 2.96Å; K203-Q205 VanDerWaalsContact C-N 3.3Å; K203-Q205 PolarHBondContact O-N 2.88Å; Q205-S208 WeakPolarHBondContact CA-OG 3.46Å; Q205-S208 PolarHBondContact O-N 3.34Å; Q205-S208 PolarHBondContact O-OG 2.85Å; Q205-S208 VanDerWaalsContact O-OG 3.12Å; Q205-S209 PolarHBondContact O-N 2.94Å
206	L	81.1	Confident	81	Confident	84 Å²	84	106.4 Å²	106.4	44%	0.44	54%	0.541	S	S	.	.	H	α-helix	trans	-68.1	-41.6	174.5	-74.5	170.1	0	0	0	111.7	M198 E202 K203 S208 S209 F212	M198-L206 HydrophobicContact CE-CD1 3.35Å; M198-L206 HydrophobicContact SD-CD1 4.01Å; E202-L206 WeakPolarHBondContact O-CB 3.41Å; E202-L206 VanDerWaalsContact O-CG 3.28Å; E202-L206 WeakPolarHBondContact O-CG 3.42Å; E202-L206 PolarHBondContact O-N 3.28Å; K203-L206 PolarHBondContact O-N 3.42Å; L206-S208 VanDerWaalsContact C-N 3.29Å; L206-S208 PolarHBondContact O-N 3.02Å; L206-S209 VanDerWaalsContact O-CB 3.23Å; L206-S209 WeakPolarHBondContact O-CB 3.16Å; L206-S209 PolarHBondContact O-N 3.21Å; L206-S209 VanDerWaalsContact O-N 3.15Å; L206-F212 WeakPolarHBondContact O-CB 3.47Å; L206-F212 WeakPolarHBondContact O-CG 3.4Å
207	L	82.2	Confident	81.7	Confident	98 Å²	98	104.1 Å²	104.1	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-63.5	-34.3	176	-71.4	173.7	0	0	0	112.5	K203 A204 F212	K203-L207 WeakPolarHBondContact O-CB 3.29Å; K203-L207 VanDerWaalsContact O-CG 3.25Å; K203-L207 WeakPolarHBondContact O-CG 3.22Å; K203-L207 PolarHBondContact O-N 2.85Å; A204-L207 PolarHBondContact O-N 3.14Å; L207-F212 HydrophobicContact CD2-CD1 4.04Å; L207-F212 HydrophobicContact CD2-CE1 3.35Å; L207-F212 HydrophobicContact CD2-CE2 4.41Å; L207-F212 HydrophobicContact CD2-CZ 3.57Å
208	S	85	Confident	82.4	Confident	84 Å²	84	104.4 Å²	104.4	59%	0.587	52%	0.52	S	S	*	.	H	α-helix	trans	-85.8	-7.7	175.4	56.1	0	0	0	0	114	A204 Q205 L206 D210	A204-S208 WeakPolarHBondContact O-CB 3.29Å; A204-S208 PolarHBondContact O-N 3.09Å; A204-S208 PolarHBondContact O-OG 3.17Å; Q205-S208 WeakPolarHBondContact CA-OG 3.46Å; Q205-S208 PolarHBondContact O-N 3.34Å; Q205-S208 PolarHBondContact O-OG 2.85Å; Q205-S208 VanDerWaalsContact O-OG 3.12Å; L206-S208 VanDerWaalsContact C-N 3.29Å; L206-S208 PolarHBondContact O-N 3.02Å; S208-D210 PolarHBondContact O-N 3.36Å
209	S	87.2	Confident	83.1	Confident	50 Å²	50	101.6 Å²	101.6	35%	0.35	51%	0.508	S	S	.	.	S	Bend	trans	-66	133	176.1	-177.7	0	0	0	0	110.7	Q205 L206 A211 F212 L213	Q205-S209 PolarHBondContact O-N 2.94Å; L206-S209 VanDerWaalsContact O-CB 3.23Å; L206-S209 WeakPolarHBondContact O-CB 3.16Å; L206-S209 PolarHBondContact O-N 3.21Å; L206-S209 VanDerWaalsContact O-N 3.15Å; S209-A211 PolarHBondContact O-N 2.8Å; S209-F212 PolarHBondContact O-N 3.36Å; S209-L213 PolarHBondContact O-N 3.44Å
210	D	87.8	Confident	83.2	Confident	88 Å²	88	100.6 Å²	100.6	47%	0.471	50%	0.501	S	S	.	.	H	α-helix	trans	-57	-34.2	177.6	-175.2	21.4	0	0	0	111.8	S208 F212 L213 R214	S208-D210 PolarHBondContact O-N 3.36Å; D210-F212 PolarHBondContact O-N 2.89Å; D210-L213 PolarHBondContact O-N 3.47Å; D210-R214 WeakPolarHBondContact O-CB 3.38Å; D210-R214 VanDerWaalsContact O-CG 3.26Å; D210-R214 WeakPolarHBondContact O-CG 3.43Å; D210-R214 PolarHBondContact O-N 2.97Å; D210-R214 IonicContact OD1-CZ 3.72Å; D210-R214 IonicContact OD1-NE 2.7Å; D210-R214 PolarHBondContact OD1-NE 2.88Å; D210-R214 IonicContact OD1-NH2 3.83Å; D210-R214 IonicContact OD2-CZ 3.8Å; D210-R214 VanDerWaalsContact OD2-CZ 3.3Å; D210-R214 IonicContact OD2-NE 3.95Å; D210-R214 PolarHBondContact OD2-NE 2.98Å; D210-R214 IonicContact OD2-NH2 3.05Å; D210-R214 PolarHBondContact OD2-NH2 3.16Å
211	A	85.9	Confident	83	Confident	70 Å²	70	100.2 Å²	100.2	58%	0.579	49%	0.493	S	S	*	.	H	α-helix	trans	-63.8	-40.4	175.8	0	0	0	0	0	112.5	S209 F215	S209-A211 PolarHBondContact O-N 2.8Å; A211-F215 WeakPolarHBondContact O-CB 3.17Å; A211-F215 PolarHBondContact O-N 3.02Å
212	F	88.6	Confident	83.1	Confident	74 Å²	74	97.2 Å²	97.2	33%	0.325	48%	0.481	S	S	.	.	H	α-helix	trans	-71.5	-42.8	177.6	-179.8	-94.6	0	0	0	111.1	L206 L207 S209 D210 R214 F215 F216	L206-F212 WeakPolarHBondContact O-CB 3.47Å; L206-F212 WeakPolarHBondContact O-CG 3.4Å; L207-F212 HydrophobicContact CD2-CD1 4.04Å; L207-F212 HydrophobicContact CD2-CE1 3.35Å; L207-F212 HydrophobicContact CD2-CE2 4.41Å; L207-F212 HydrophobicContact CD2-CZ 3.57Å; S209-F212 PolarHBondContact O-N 3.36Å; D210-F212 PolarHBondContact O-N 2.89Å; F212-R214 PolarHBondContact O-N 3.32Å; F212-F215 PolarHBondContact O-N 3.42Å; F212-F216 HydrophobicContact CD1-CB 4.42Å; F212-F216 HydrophobicContact CE1-CB 4.1Å; F212-F216 HydrophobicContact CE1-CD2 4.37Å; F212-F216 HydrophobicContact CE1-CG 4.35Å; F212-F216 HydrophobicContact CZ-CB 4.42Å; F212-F216 HydrophobicContact CZ-CD2 4.21Å; F212-F216 WeakPolarHBondContact O-CB 3.44Å; F212-F216 PolarHBondContact O-N 3.16Å
213	L	87	Confident	83.1	Confident	77 Å²	77	97.4 Å²	97.4	40%	0.403	48%	0.483	S	S	.	.	H	α-helix	trans	-59.5	-45.6	176.4	-68.8	175.5	0	0	0	111.3	S209 D210 F215 F216 E217	S209-L213 PolarHBondContact O-N 3.44Å; D210-L213 PolarHBondContact O-N 3.47Å; L213-F215 PolarHBondContact O-N 2.69Å; L213-F216 PolarHBondContact O-N 3.36Å; L213-E217 WeakPolarHBondContact O-CB 3.46Å; L213-E217 WeakPolarHBondContact O-CG 3.36Å; L213-E217 PolarHBondContact O-N 3.16Å
214	R	81.4	Confident	82.9	Confident	160 Å²	160	95.7 Å²	95.7	60%	0.604	48%	0.477	S	S	*	.	H	α-helix	trans	-63.2	-41.6	175.4	-69.3	179.3	-163.2	-164.1	5.5	112.8	D210 F212 R218	D210-R214 WeakPolarHBondContact O-CB 3.38Å; D210-R214 VanDerWaalsContact O-CG 3.26Å; D210-R214 WeakPolarHBondContact O-CG 3.43Å; D210-R214 PolarHBondContact O-N 2.97Å; D210-R214 IonicContact OD1-CZ 3.72Å; D210-R214 IonicContact OD1-NE 2.7Å; D210-R214 PolarHBondContact OD1-NE 2.88Å; D210-R214 IonicContact OD1-NH2 3.83Å; D210-R214 IonicContact OD2-CZ 3.8Å; D210-R214 VanDerWaalsContact OD2-CZ 3.3Å; D210-R214 IonicContact OD2-NE 3.95Å; D210-R214 PolarHBondContact OD2-NE 2.98Å; D210-R214 IonicContact OD2-NH2 3.05Å; D210-R214 PolarHBondContact OD2-NH2 3.16Å; F212-R214 PolarHBondContact O-N 3.32Å; R214-R218 VanDerWaalsContact O-CB 3.3Å; R214-R218 WeakPolarHBondContact O-CB 3.2Å; R214-R218 PolarHBondContact O-N 3.13Å
215	F	87.8	Confident	82.5	Confident	134 Å²	134	98 Å²	98	59%	0.588	47%	0.474	S	S	*	.	H	α-helix	trans	-64.2	-45.1	175.1	172.5	-97.3	0	0	0	111.2	A211 F212 L213 R218 S219	A211-F215 WeakPolarHBondContact O-CB 3.17Å; A211-F215 PolarHBondContact O-N 3.02Å; F212-F215 PolarHBondContact O-N 3.42Å; L213-F215 PolarHBondContact O-N 2.69Å; F215-R218 PolarHBondContact O-N 3.29Å; F215-S219 VanDerWaalsContact O-CB 3.24Å; F215-S219 WeakPolarHBondContact O-CB 3.39Å; F215-S219 PolarHBondContact O-N 2.86Å; F215-S219 PolarHBondContact O-OG 3.19Å
216	F	88.4	Confident	82	Confident	114 Å²	114	92.8 Å²	92.8	50%	0.5	46%	0.455	S	S	.	.	H	α-helix	trans	-64.7	-46.6	-179.6	-174	-100	0	0	0	110.9	F212 L213 R218 S219 S220	F212-F216 HydrophobicContact CD1-CB 4.42Å; F212-F216 HydrophobicContact CE1-CB 4.1Å; F212-F216 HydrophobicContact CE1-CD2 4.37Å; F212-F216 HydrophobicContact CE1-CG 4.35Å; F212-F216 HydrophobicContact CZ-CB 4.42Å; F212-F216 HydrophobicContact CZ-CD2 4.21Å; F212-F216 WeakPolarHBondContact O-CB 3.44Å; F212-F216 PolarHBondContact O-N 3.16Å; L213-F216 PolarHBondContact O-N 3.36Å; F216-R218 VanDerWaalsContact C-N 3.34Å; F216-R218 PolarHBondContact O-N 2.99Å; F216-S219 WeakPolarHBondContact CA-OG 3.34Å; F216-S219 PolarHBondContact O-N 3.47Å; F216-S219 PolarHBondContact O-OG 2.84Å; F216-S220 WeakPolarHBondContact O-CA 3.24Å; F216-S220 WeakPolarHBondContact O-CB 3.26Å; F216-S220 PolarHBondContact O-N 3.42Å; F216-S220 PolarHBondContact O-OG 3.34Å
217	E	81.7	Confident	81.7	Confident	105 Å²	105	92.9 Å²	92.9	49%	0.491	46%	0.455	S	S	.	.	H	α-helix	trans	-62.4	-37.4	175.4	-74.5	-179	-172.1	0	0	113.2	L213 S220 R221	L213-E217 WeakPolarHBondContact O-CB 3.46Å; L213-E217 WeakPolarHBondContact O-CG 3.36Å; L213-E217 PolarHBondContact O-N 3.16Å; E217-S220 PolarHBondContact O-OG 3.22Å; E217-R221 VanDerWaalsContact O-CG 3.29Å; E217-R221 WeakPolarHBondContact O-CG 3.46Å; E217-R221 PolarHBondContact O-N 3.37Å
218	R	79.9	Confident	81.1	Confident	186 Å²	186	88.9 Å²	88.9	70%	0.702	44%	0.435	S	S	*	.	H	α-helix	trans	-72.4	-48.7	177.2	179.4	178.3	173.4	164.8	-0.9	111.2	R214 F215 F216 I222	R214-R218 VanDerWaalsContact O-CB 3.3Å; R214-R218 WeakPolarHBondContact O-CB 3.2Å; R214-R218 PolarHBondContact O-N 3.13Å; F215-R218 PolarHBondContact O-N 3.29Å; F216-R218 VanDerWaalsContact C-N 3.34Å; F216-R218 PolarHBondContact O-N 2.99Å; R218-I222 HydrophobicContact CG-CD1 4.14Å; R218-I222 WeakPolarHBondContact O-CG1 3.33Å; R218-I222 PolarHBondContact O-N 2.98Å
219	S	84.4	Confident	80.1	Confident	22 Å²	22	88.9 Å²	88.9	15%	0.154	43%	0.426	C	S	.	.	H	α-helix	trans	-69.2	-38.4	-177.9	56.6	0	0	0	0	111.7	F215 F216 R221 I222 I223	F215-S219 VanDerWaalsContact O-CB 3.24Å; F215-S219 WeakPolarHBondContact O-CB 3.39Å; F215-S219 PolarHBondContact O-N 2.86Å; F215-S219 PolarHBondContact O-OG 3.19Å; F216-S219 WeakPolarHBondContact CA-OG 3.34Å; F216-S219 PolarHBondContact O-N 3.47Å; F216-S219 PolarHBondContact O-OG 2.84Å; S219-R221 PolarHBondContact O-N 3.2Å; S219-I222 PolarHBondContact O-N 3.47Å; S219-I223 WeakPolarHBondContact O-CB 3.35Å; S219-I223 VanDerWaalsContact O-CG1 3.28Å; S219-I223 WeakPolarHBondContact O-CG1 3.45Å; S219-I223 PolarHBondContact O-N 3.19Å
220	S	81.7	Confident	78.8	Confident	30 Å²	30	91 Å²	91	21%	0.21	44%	0.438	C	S	.	.	H	α-helix	trans	-59.8	-45.8	175.1	68	0	0	0	0	111.3	F216 E217 I222 I223 E224	F216-S220 WeakPolarHBondContact O-CA 3.24Å; F216-S220 WeakPolarHBondContact O-CB 3.26Å; F216-S220 PolarHBondContact O-N 3.42Å; F216-S220 PolarHBondContact O-OG 3.34Å; E217-S220 PolarHBondContact O-OG 3.22Å; S220-I222 VanDerWaalsContact C-N 3.31Å; S220-I222 PolarHBondContact O-N 2.92Å; S220-I223 PolarHBondContact O-N 3.36Å; S220-E224 WeakPolarHBondContact O-CB 3.46Å; S220-E224 VanDerWaalsContact O-CG 3.23Å; S220-E224 WeakPolarHBondContact O-CG 3.25Å; S220-E224 PolarHBondContact O-N 3.25Å
221	R	75.7	Confident	77.4	Confident	163 Å²	163	91.3 Å²	91.3	62%	0.615	44%	0.44	S	S	*	.	H	α-helix	trans	-61.8	-37.2	176.6	-70.8	180	-151.3	-158	6	113.2	E217 S219 R225	E217-R221 VanDerWaalsContact O-CG 3.29Å; E217-R221 WeakPolarHBondContact O-CG 3.46Å; E217-R221 PolarHBondContact O-N 3.37Å; S219-R221 PolarHBondContact O-N 3.2Å; R221-R225 WeakPolarHBondContact O-CB 3.45Å; R221-R225 PolarHBondContact O-N 2.89Å
222	I	78.7	Confident	76	Confident	102 Å²	102	95.6 Å²	95.6	52%	0.523	45%	0.448	S	S	.	.	H	α-helix	trans	-70.2	-46.9	177.8	-65.2	166.3	0	0	0	110.3	R218 S219 S220 R225 A226	R218-I222 HydrophobicContact CG-CD1 4.14Å; R218-I222 WeakPolarHBondContact O-CG1 3.33Å; R218-I222 PolarHBondContact O-N 2.98Å; S219-I222 PolarHBondContact O-N 3.47Å; S220-I222 VanDerWaalsContact C-N 3.31Å; S220-I222 PolarHBondContact O-N 2.92Å; I222-R225 WeakPolarHBondContact O-CB 3.44Å; I222-R225 PolarHBondContact O-N 2.89Å; I222-A226 WeakPolarHBondContact O-CB 3.47Å; I222-A226 PolarHBondContact O-N 3.14Å
223	I	79.9	Confident	74.4	Confident	96 Å²	96	94 Å²	94	49%	0.492	45%	0.452	S	S	.	.	H	α-helix	trans	-64.5	-44.6	178.2	-68.2	167.8	0	0	0	110.1	S219 S220 R225 A226 I227	S219-I223 WeakPolarHBondContact O-CB 3.35Å; S219-I223 VanDerWaalsContact O-CG1 3.28Å; S219-I223 WeakPolarHBondContact O-CG1 3.45Å; S219-I223 PolarHBondContact O-N 3.19Å; S220-I223 PolarHBondContact O-N 3.36Å; I223-R225 VanDerWaalsContact C-N 3.27Å; I223-R225 PolarHBondContact O-N 3.34Å; I223-A226 PolarHBondContact O-N 2.94Å; I223-A226 VanDerWaalsContact O-N 3.15Å; I223-I227 HydrophobicContact CG2-CD1 3.54Å; I223-I227 HydrophobicContact CG2-CG1 4.19Å; I223-I227 WeakPolarHBondContact O-CB 3.4Å; I223-I227 VanDerWaalsContact O-CG1 3.25Å; I223-I227 WeakPolarHBondContact O-CG1 3.44Å; I223-I227 PolarHBondContact O-N 3.45Å
224	E	73.5	Confident	73.3	Confident	75 Å²	75	95.3 Å²	95.3	35%	0.35	46%	0.459	S	S	.	.	H	α-helix	trans	-57.8	-40.3	174.2	-78.4	-177.3	-172.9	0	0	111.5	S220 C228 Y307 K310	S220-E224 WeakPolarHBondContact O-CB 3.46Å; S220-E224 VanDerWaalsContact O-CG 3.23Å; S220-E224 WeakPolarHBondContact O-CG 3.25Å; S220-E224 PolarHBondContact O-N 3.25Å; E224-C228 WeakPolarHBondContact O-CB 3.27Å; E224-C228 PolarHBondContact O-N 3.5Å; E224-C228 PolarHBondContact O-SG 3.09Å; E224-C228 VanDerWaalsContact O-SG 3.32Å; E224-Y307 HydrophobicContact CB-CE1 4.38Å; E224-K310 IonicContact OE2-NZ 3.3Å; E224-K310 PolarHBondContact OE2-NZ 3.24Å
225	R	72	Confident	72.5	Confident	106 Å²	106	94.1 Å²	94.1	40%	0.4	46%	0.458	S	S	.	.	H	α-helix	trans	-65	-45.7	175.8	-176.4	177.7	166.5	-179.6	-3	111	R221 I222 I223 I227 C228 Q229 Y307	R221-R225 WeakPolarHBondContact O-CB 3.45Å; R221-R225 PolarHBondContact O-N 2.89Å; I222-R225 WeakPolarHBondContact O-CB 3.44Å; I222-R225 PolarHBondContact O-N 2.89Å; I223-R225 VanDerWaalsContact C-N 3.27Å; I223-R225 PolarHBondContact O-N 3.34Å; R225-I227 VanDerWaalsContact C-N 3.32Å; R225-I227 PolarHBondContact O-N 2.68Å; R225-C228 PolarHBondContact O-N 3.23Å; R225-Q229 VanDerWaalsContact O-CG 3.3Å; R225-Q229 WeakPolarHBondContact O-CG 3.21Å; R225-Q229 PolarHBondContact O-N 2.93Å; R225-Y307 HydrophobicContact CB-CE1 3.73Å; R225-Y307 HydrophobicContact CG-CE1 4.3Å
226	A	72.1	Confident	71.5	Confident	31 Å²	31	91 Å²	91	26%	0.256	45%	0.447	S	S	.	.	H	α-helix	trans	-68.1	-33.2	-178.5	0	0	0	0	0	112.2	I222 I223 I234	I222-A226 WeakPolarHBondContact O-CB 3.47Å; I222-A226 PolarHBondContact O-N 3.14Å; I223-A226 PolarHBondContact O-N 2.94Å; I223-A226 VanDerWaalsContact O-N 3.15Å; A226-I234 HydrophobicContact CB-CD1 3.69Å
227	I	75	Confident	70	Confident	86 Å²	86	89.6 Å²	89.6	44%	0.441	45%	0.445	S	S	.	.	H	α-helix	trans	-74.3	-38.1	175.7	-68.2	170.4	0	0	0	112	I223 R225	I223-I227 HydrophobicContact CG2-CD1 3.54Å; I223-I227 HydrophobicContact CG2-CG1 4.19Å; I223-I227 WeakPolarHBondContact O-CB 3.4Å; I223-I227 VanDerWaalsContact O-CG1 3.25Å; I223-I227 WeakPolarHBondContact O-CG1 3.44Å; I223-I227 PolarHBondContact O-N 3.45Å; R225-I227 VanDerWaalsContact C-N 3.32Å; R225-I227 PolarHBondContact O-N 2.68Å
228	C	69.2	Low	69.2	Low	14 Å²	14	92.9 Å²	92.9	10%	0.095	45%	0.454	C	S	.	.	H	α-helix	trans	-81.8	-20.7	-178.2	-70.8	0	0	0	0	113.8	E224 R225 Y307	E224-C228 WeakPolarHBondContact O-CB 3.27Å; E224-C228 PolarHBondContact O-N 3.5Å; E224-C228 PolarHBondContact O-SG 3.09Å; E224-C228 VanDerWaalsContact O-SG 3.32Å; R225-C228 PolarHBondContact O-N 3.23Å; C228-Y307 HydrophobicContact CB-CD1 3.79Å; C228-Y307 HydrophobicContact CB-CG 4.45Å
229	Q	64.8	Low	68.8	Low	84 Å²	84	87.7 Å²	87.7	39%	0.393	45%	0.446	S	S	.	.	S	Bend	trans	-55.3	125.3	175.1	-88	174	-16.8	0	0	109.4	R225 D231	R225-Q229 VanDerWaalsContact O-CG 3.3Å; R225-Q229 WeakPolarHBondContact O-CG 3.21Å; R225-Q229 PolarHBondContact O-N 2.93Å; Q229-D231 PolarHBondContact O-N 2.75Å
230	P	59.4	Low	67.6	Low	95 Å²	95	89 Å²	89	62%	0.617	46%	0.463	S	S	*	.			trans	-61.5	121.3	-180	23	-29.9	0	0	0	109.2	E232	P230-E232 PolarHBondContact O-N 2.95Å
231	D	58.1	Low	66.6	Low	93 Å²	93	95 Å²	95	50%	0.497	49%	0.488	S	S	.	.	S	Bend	trans	30.4	-12.5	167.2	-66.7	-15.3	0	0	0	123.1	Q229 G233 L236	Q229-D231 PolarHBondContact O-N 2.75Å; D231-G233 PolarHBondContact O-N 2.94Å; D231-L236 WeakPolarHBondContact O-CA 3.49Å; D231-L236 WeakPolarHBondContact O-CB 3.44Å; D231-L236 PolarHBondContact O-N 2.8Å
232	E	56.4	Low	65.6	Low	161 Å²	161	92.2 Å²	92.2	75%	0.752	49%	0.485	S	S	*	.	S	Bend	trans	-78.1	-18.7	-174.9	-68.8	-172.9	163.1	0	0	114.8	P230 Y238	P230-E232 PolarHBondContact O-N 2.95Å; E232-Y238 PolarHBondContact O-OH 2.96Å
233	G	55.9	Low	64.5	Low	40 Å²	40	94.9 Å²	94.9	41%	0.412	50%	0.499	S	S	.	.	S	Bend	trans	-99.8	-68.2	-170.5	0	0	0	0	0	115	D231	D231-G233 PolarHBondContact O-N 2.94Å
234	I	63.3	Low	63.1	Low	105 Å²	105	99 Å²	99	54%	0.538	52%	0.517	S	S	.	.	S	Bend	trans	-101.1	-33.7	-163	-60	-177.7	0	0	0	112.3	A226	A226-I234 HydrophobicContact CB-CD1 3.69Å
235	F	65.4	Low	62.2	Low	134 Å²	134	101 Å²	101	59%	0.588	53%	0.534	S	S	*	.	S	Bend	trans	-105.3	-5.5	-174.5	-60.5	-70.8	0	0	0	113.7	D237	F235-D237 PolarHBondContact O-N 2.96Å
236	L	65.6	Low	61.1	Low	70 Å²	70	104.5 Å²	104.5	37%	0.366	56%	0.555	S	S	.	*			trans	-60.9	119.1	174.4	-160.8	61.3	0	0	0	109.6	D231 Y238	D231-L236 WeakPolarHBondContact O-CA 3.49Å; D231-L236 WeakPolarHBondContact O-CB 3.44Å; D231-L236 PolarHBondContact O-N 2.8Å; L236-Y238 HydrophobicContact CB-CE2 4.28Å; L236-Y238 HydrophobicContact CD2-CD1 4.38Å; L236-Y238 HydrophobicContact CD2-CE1 3.95Å; L236-Y238 VanDerWaalsContact O-CD2 3.31Å; L236-Y238 WeakPolarHBondContact O-CD2 3.45Å; L236-Y238 PolarHBondContact O-N 3.38Å; L236-Y238 VanDerWaalsContact O-N 3.13Å
237	D	58.1	Low	60.2	Low	84 Å²	84	111.4 Å²	111.4	45%	0.449	58%	0.582	S	S	.	*			trans	-77.4	100.1	170.3	-168.6	6.2	0	0	0	109.5	F235 S239	F235-D237 PolarHBondContact O-N 2.96Å; D237-S239 PolarHBondContact O-N 3.48Å; D237-S239 WeakPolarHBondContact OD1-CB 3.35Å; D237-S239 PolarHBondContact OD1-N 3.37Å; D237-S239 PolarHBondContact OD1-OG 3.17Å; D237-S239 WeakPolarHBondContact OD2-CB 3.34Å; D237-S239 PolarHBondContact OD2-OG 3.07Å
238	Y	64.9	Low	59.3	Low	173 Å²	173	110.9 Å²	110.9	68%	0.678	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	5	173.8	-62.2	-84	0	0	0	113.3	E232 L236 G240	E232-Y238 PolarHBondContact O-OH 2.96Å; L236-Y238 HydrophobicContact CB-CE2 4.28Å; L236-Y238 HydrophobicContact CD2-CD1 4.38Å; L236-Y238 HydrophobicContact CD2-CE1 3.95Å; L236-Y238 VanDerWaalsContact O-CD2 3.31Å; L236-Y238 WeakPolarHBondContact O-CD2 3.45Å; L236-Y238 PolarHBondContact O-N 3.38Å; L236-Y238 VanDerWaalsContact O-N 3.13Å; Y238-G240 PolarHBondContact O-N 3.04Å
239	S	70.4	Confident	59.1	Low	78 Å²	78	117.2 Å²	117.2	55%	0.545	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.8	-13.7	171.2	76.2	0	0	0	0	113.7	D237	D237-S239 PolarHBondContact O-N 3.48Å; D237-S239 WeakPolarHBondContact OD1-CB 3.35Å; D237-S239 PolarHBondContact OD1-N 3.37Å; D237-S239 PolarHBondContact OD1-OG 3.17Å; D237-S239 WeakPolarHBondContact OD2-CB 3.34Å; D237-S239 PolarHBondContact OD2-OG 3.07Å
240	G	59.9	Low	59.9	Low	49 Å²	49	118.1 Å²	118.1	51%	0.505	62%	0.623	S	S	.	*	S	Bend	trans	85.9	10.8	172.4	0	0	0	0	0	114.7	Y238	Y238-G240 PolarHBondContact O-N 3.04Å
241	Q	61.1	Low	61.2	Low	157 Å²	157	116 Å²	116	73%	0.734	61%	0.607	S	S	*	*	S	Bend	trans	-78.4	-23	178.1	-167.1	168.2	10.4	0	0	113.4
242	D	54.9	Low	62.7	Low	103 Å²	103	112 Å²	112	55%	0.551	59%	0.585	S	S	*	*			trans	-103.1	11.9	-167.9	-66.7	-21.6	0	0	0	115.2	E244	D242-E244 PolarHBondContact O-N 3.04Å
243	L	54.5	Low	64.3	Low	158 Å²	158	106.4 Å²	106.4	83%	0.827	56%	0.562	S	S	*	*			trans	-76.5	0.7	-179.2	-83.4	163.4	0	0	0	114.6	T245	L243-T245 PolarHBondContact O-N 3.03Å; L243-T245 VanDerWaalsContact O-N 3.12Å
244	E	50.3	Low	65.9	Low	182 Å²	182	106.6 Å²	106.6	85%	0.85	56%	0.555	S	S	*	*			trans	-85.9	63.2	171.3	-64.9	-178.3	179.3	0	0	109.8	D242 E246	D242-E244 PolarHBondContact O-N 3.04Å; E244-E246 PolarHBondContact O-N 3.34Å; E244-E246 VanDerWaalsContact O-N 3.15Å
245	T	54.5	Low	67	Low	118 Å²	118	103.8 Å²	103.8	72%	0.724	54%	0.544	S	S	*	.			trans	-75.5	101.5	166.1	-49.8	0	0	0	0	106.8	L243 E247	L243-T245 PolarHBondContact O-N 3.03Å; L243-T245 VanDerWaalsContact O-N 3.12Å; T245-E247 PolarHBondContact O-N 2.83Å
246	E	49.7	Very low	68	Low	179 Å²	179	98.3 Å²	98.3	84%	0.836	52%	0.522	S	S	*	.			trans	-59	110.9	171.1	-65.2	-121.5	133.2	0	0	107.8	E244 S248	E244-E246 PolarHBondContact O-N 3.34Å; E244-E246 VanDerWaalsContact O-N 3.15Å; E246-S248 VanDerWaalsContact C-N 3.27Å; E246-S248 PolarHBondContact O-N 2.97Å
247	E	52.5	Low	69.1	Low	177 Å²	177	99.5 Å²	99.5	83%	0.827	53%	0.525	S	S	*	.			trans	-62.5	94.4	169.1	-69.6	179.7	169.8	0	0	106.8	T245 D249	T245-E247 PolarHBondContact O-N 2.83Å; E247-D249 PolarHBondContact O-N 2.79Å; E247-D249 VanDerWaalsContact O-N 3.15Å
248	S	57.2	Low	70.6	Confident	75 Å²	75	95.6 Å²	95.6	52%	0.524	50%	0.504	S	S	.	.			trans	-66.1	115.1	170.8	59.3	0	0	0	0	107.3	E246 E250	E246-S248 VanDerWaalsContact C-N 3.27Å; E246-S248 PolarHBondContact O-N 2.97Å; S248-E250 PolarHBondContact O-N 2.88Å
249	D	64.3	Low	71.7	Confident	146 Å²	146	89.2 Å²	89.2	78%	0.781	48%	0.48	S	S	*	.			trans	-64.6	19.7	174.3	-67.7	-38.2	0	0	0	113.4	E247 L251	E247-D249 PolarHBondContact O-N 2.79Å; E247-D249 VanDerWaalsContact O-N 3.15Å; D249-L251 PolarHBondContact O-N 3.38Å
250	E	81.3	Confident	72.4	Confident	103 Å²	103	86.5 Å²	86.5	48%	0.481	46%	0.46	S	S	.	.			trans	-68.4	117.8	176.3	-70.7	-167.7	-177.1	0	0	109.8	S248 L252 T253 R562	S248-E250 PolarHBondContact O-N 2.88Å; E250-L252 PolarHBondContact O-N 2.92Å; E250-L252 VanDerWaalsContact O-N 3.15Å; E250-T253 HydrophobicContact CB-CG2 3.8Å; E250-R562 IonicContact OE2-NH1 3.72Å; E250-R562 PolarHBondContact OE2-NH1 2.73Å
251	L	87	Confident	73.5	Confident	52 Å²	52	91.6 Å²	91.6	27%	0.272	47%	0.47	S	S	.	.	S	Bend	trans	-63	-21.5	178.6	-62.4	177.9	0	0	0	113.6	D249 V559 A560 H612 L615	D249-L251 PolarHBondContact O-N 3.38Å; L251-V559 HydrophobicContact CD1-CG1 3.78Å; L251-A560 HydrophobicContact CB-CB 3.84Å; L251-A560 HydrophobicContact CD1-CB 4.24Å; L251-H612 HydrophobicContact CD2-CB 4.09Å; L251-H612 PolarHBondContact O-N 3.19Å; L251-L615 HydrophobicContact CB-CD1 4.18Å; L251-L615 HydrophobicContact CD1-CD1 4.35Å
252	L	89.6	Confident	74.7	Confident	9 Å²	9	92 Å²	92	5%	0.047	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	108.3	-179.3	-78.4	173.6	0	0	0	110.9	E250 L546 I548 A560 R562 C609 V611	E250-L252 PolarHBondContact O-N 2.92Å; E250-L252 VanDerWaalsContact O-N 3.15Å; L252-L546 HydrophobicContact CD2-CD2 4.5Å; L252-I548 HydrophobicContact CD1-CG1 3.69Å; L252-I548 HydrophobicContact CD2-CD1 4.44Å; L252-I548 HydrophobicContact CD2-CG1 3.79Å; L252-I548 HydrophobicContact CG-CG1 4.09Å; L252-A560 HydrophobicContact CD1-CB 3.48Å; L252-A560 VanDerWaalsContact CD1-CB 3.48Å; L252-A560 HydrophobicContact CG-CB 3.77Å; L252-R562 HydrophobicContact CB-CB 4.27Å; L252-R562 HydrophobicContact CD1-CB 4.05Å; L252-R562 WeakPolarHBondContact O-CD 3.24Å; L252-C609 HydrophobicContact CD2-CB 4.47Å; L252-V611 HydrophobicContact CD2-CG2 3.85Å
253	T	90.1	Very high	76.1	Confident	43 Å²	43	88.3 Å²	88.3	26%	0.264	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144.4	175.8	56	0	0	0	0	110.5	E250 S255 C609 S610	E250-T253 HydrophobicContact CB-CG2 3.8Å; T253-S255 PolarHBondContact O-N 2.84Å; T253-C609 CarbonylContact O-C 3.58Å; T253-C609 VanDerWaalsContact O-CA 3.27Å; T253-C609 WeakPolarHBondContact O-CA 3.1Å; T253-S610 PolarHBondContact N-O 3.07Å; T253-S610 VanDerWaalsContact N-O 3.1Å; T253-S610 PolarHBondContact O-N 2.85Å
254	V	88.6	Confident	77.6	Confident	44 Å²	44	80.8 Å²	80.8	27%	0.267	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.5	175.1	169.7	0	0	0	0	108.1	E257 R562 L564 T607	V254-E257 HydrophobicContact CG1-CG 3.87Å; V254-R562 VanDerWaalsContact CG2-NE 3.28Å; V254-L564 HydrophobicContact CG2-CD2 3.83Å; V254-T607 HydrophobicContact CB-CG2 4.42Å; V254-T607 HydrophobicContact CG1-CG2 3.67Å; V254-T607 HydrophobicContact CG2-CG2 3.89Å
255	S	86.4	Confident	79.3	Confident	45 Å²	45	77 Å²	77	32%	0.315	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-56.3	178.9	63.6	0	0	0	0	111	T253 V608	T253-S255 PolarHBondContact O-N 2.84Å; S255-V608 PolarHBondContact N-O 3.49Å; S255-V608 PolarHBondContact OG-O 3.3Å
256	N	86.9	Confident	80.8	Confident	20 Å²	20	75.4 Å²	75.4	11%	0.107	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145	-170.9	-65.2	-22.3	0	0	0	110.8	F258 M305 P308 V608	N256-F258 HydrophobicContact CB-CE2 4.09Å; N256-F258 HydrophobicContact CB-CZ 4.04Å; N256-M305 HydrophobicContact CB-CE 4.24Å; N256-M305 HydrophobicContact CB-SD 4.21Å; N256-M305 WeakPolarHBondContact ND2-CE 3.14Å; N256-M305 PolarHBondContact ND2-O 2.91Å; N256-M305 PolarHBondContact ND2-SD 3.46Å; N256-P308 WeakPolarHBondContact OD1-CB 3.05Å; N256-V608 HydrophobicContact CB-CB 4.37Å; N256-V608 PolarHBondContact N-O 2.76Å; N256-V608 PolarHBondContact O-N 3.32Å
257	E	88.1	Confident	82.8	Confident	94 Å²	94	67 Å²	67	44%	0.439	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.8	170.8	-67.4	-170	168.7	0	0	109.5	V254 V606 T607	V254-E257 HydrophobicContact CG1-CG 3.87Å; E257-V606 WeakPolarHBondContact CA-O 3.47Å; E257-T607 HydrophobicContact CG-CG2 3.98Å
258	F	89.6	Confident	84.7	Confident	2 Å²	2	61 Å²	61	1%	0.009	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.8	176.9	-57.4	-68.7	0	0	0	110.7	N256 W303 M305 V606 V608	N256-F258 HydrophobicContact CB-CE2 4.09Å; N256-F258 HydrophobicContact CB-CZ 4.04Å; F258-W303 HydrophobicContact CB-CD2 3.57Å; F258-W303 HydrophobicContact CB-CE3 3.65Å; F258-W303 HydrophobicContact CB-CG 4.01Å; F258-W303 HydrophobicContact CB-CH2 4.14Å; F258-W303 HydrophobicContact CB-CZ2 4.14Å; F258-W303 HydrophobicContact CB-CZ3 3.93Å; F258-W303 HydrophobicContact CD1-CB 4.24Å; F258-W303 HydrophobicContact CD1-CD2 4.15Å; F258-W303 AromaticContact CD1-CE3 3.69Å; F258-W303 HydrophobicContact CD1-CE3 3.69Å; F258-W303 HydrophobicContact CD1-CG 4.4Å; F258-W303 HydrophobicContact CD1-CZ3 4.32Å; F258-W303 HydrophobicContact CD2-CB 3.89Å; F258-W303 HydrophobicContact CD2-CD2 4.47Å; F258-W303 HydrophobicContact CD2-CG 4.09Å; F258-W303 HydrophobicContact CE1-CB 4.4Å; F258-W303 HydrophobicContact CE2-CB 4.06Å; F258-W303 HydrophobicContact CG-CB 3.99Å; F258-W303 AromaticContact CG-CD2 3.82Å; F258-W303 HydrophobicContact CG-CD2 3.82Å; F258-W303 AromaticContact CG-CE3 3.81Å; F258-W303 HydrophobicContact CG-CE3 3.81Å; F258-W303 AromaticContact CG-CG 3.91Å; F258-W303 HydrophobicContact CG-CG 3.91Å; F258-W303 HydrophobicContact CG-CZ3 4.47Å; F258-W303 HydrophobicContact CZ-CB 4.32Å; F258-M305 HydrophobicContact CE2-SD 3.62Å; F258-M305 HydrophobicContact CZ-SD 3.84Å; F258-V606 HydrophobicContact CB-CB 4.29Å; F258-V606 PolarHBondContact N-O 3.34Å; F258-V606 PolarHBondContact O-N 2.78Å; F258-V608 HydrophobicContact CD2-CG2 4.4Å; F258-V608 HydrophobicContact CE2-CG2 4.05Å
259	F	88	Confident	86.4	Confident	39 Å²	39	57.4 Å²	57.4	17%	0.171	28%	0.28	C	S	.	.			trans	-155.3	125.8	176.6	178.9	-103.6	0	0	0	109.1	E261 S264 K265 L311 R605	F259-E261 HydrophobicContact CE1-CG 4.07Å; F259-S264 VanDerWaalsContact CD2-OG 3.25Å; F259-S264 WeakPolarHBondContact CD2-OG 3.19Å; F259-K265 HydrophobicContact CE2-CB 4.38Å; F259-K265 HydrophobicContact CZ-CB 3.98Å; F259-K265 HydrophobicContact CZ-CG 4.13Å; F259-L311 VanDerWaalsContact O-CB 3.32Å; F259-L311 WeakPolarHBondContact O-CB 3.41Å; F259-L311 WeakPolarHBondContact O-CD2 3.37Å; F259-R605 HydrophobicContact CB-CG 4.19Å; F259-R605 HydrophobicContact CD2-CB 4.39Å; F259-R605 HydrophobicContact CD2-CG 3.44Å; F259-R605 VanDerWaalsContact CD2-CG 3.44Å; F259-R605 HydrophobicContact CE2-CG 4.1Å; F259-R605 HydrophobicContact CG-CG 4.05Å
260	D	86.4	Confident	87.8	Confident	22 Å²	22	51.4 Å²	51.4	12%	0.118	25%	0.249	C	C	.	.			trans	-113.4	121.5	173.3	-176.6	-7.1	0	0	0	109.2	R262 W263 S264 K265 W303 P313	D260-R262 PolarHBondContact O-N 2.93Å; D260-R262 VanDerWaalsContact O-N 3.15Å; D260-R262 PolarHBondContact OD1-N 3.43Å; D260-W263 PolarHBondContact O-N 3.15Å; D260-W263 VanDerWaalsContact OD2-CD1 3.25Å; D260-S264 PolarHBondContact N-OG 3.35Å; D260-S264 PolarHBondContact O-N 2.96Å; D260-S264 PolarHBondContact O-OG 2.82Å; D260-K265 PolarHBondContact O-N 2.85Å; D260-W303 HydrophobicContact CB-CH2 3.74Å; D260-W303 HydrophobicContact CB-CZ2 4.48Å; D260-P313 WeakPolarHBondContact OD2-CD 3.37Å
261	E	83.5	Confident	88.4	Confident	156 Å²	156	47 Å²	47	73%	0.729	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.1	179.4	-64.1	-168.2	158.3	0	0	113.2	F259 K265	F259-E261 HydrophobicContact CE1-CG 4.07Å; E261-K265 WeakPolarHBondContact O-CB 3.39Å
262	R	85.4	Confident	88.8	Confident	166 Å²	166	45.1 Å²	45.1	63%	0.626	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-39.9	-175.7	-176.5	175.4	-179	-179.6	3.4	113.3	D260	D260-R262 PolarHBondContact O-N 2.93Å; D260-R262 VanDerWaalsContact O-N 3.15Å; D260-R262 PolarHBondContact OD1-N 3.43Å
263	W	85.1	Confident	89	Confident	25 Å²	25	45.8 Å²	45.8	10%	0.095	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-22.2	-168.5	-65.6	109.5	0	0	0	114.2	D260 R267 P296 V299 L301 I316	D260-W263 PolarHBondContact O-N 3.15Å; D260-W263 VanDerWaalsContact OD2-CD1 3.25Å; W263-R267 VanDerWaalsContact O-CD 3.25Å; W263-R267 WeakPolarHBondContact O-CD 3.37Å; W263-P296 HydrophobicContact CZ3-CG 4.14Å; W263-V299 HydrophobicContact CB-CG1 4.41Å; W263-V299 HydrophobicContact CE3-CG1 4.12Å; W263-V299 HydrophobicContact CE3-CG2 3.99Å; W263-V299 HydrophobicContact CZ3-CG2 4.34Å; W263-L301 HydrophobicContact CB-CD1 3.77Å; W263-L301 HydrophobicContact CB-CD2 3.98Å; W263-L301 HydrophobicContact CB-CG 4.45Å; W263-L301 HydrophobicContact CG-CD2 4.32Å; W263-I316 HydrophobicContact CD2-CG2 4.06Å; W263-I316 HydrophobicContact CG-CG2 4.36Å; W263-I316 HydrophobicContact CZ2-CG2 4.16Å
264	S	85.6	Confident	89.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-23.3	-174.9	86.2	0	0	0	0	113.2	F259 D260 H266 R267 G604	F259-S264 VanDerWaalsContact CD2-OG 3.25Å; F259-S264 WeakPolarHBondContact CD2-OG 3.19Å; D260-S264 PolarHBondContact N-OG 3.35Å; D260-S264 PolarHBondContact O-N 2.96Å; D260-S264 PolarHBondContact O-OG 2.82Å; S264-H266 PolarHBondContact O-N 3.47Å; S264-R267 PolarHBondContact O-N 2.8Å; S264-G604 WeakPolarHBondContact CB-O 3.26Å; S264-G604 WeakPolarHBondContact O-CA 3.36Å; S264-G604 PolarHBondContact OG-O 2.95Å
265	K	85.7	Confident	89.3	Confident	102 Å²	102	42.1 Å²	42.1	44%	0.443	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	130.7	-178.6	-169.8	-176.3	-175.6	-166.5	0	113.3	F259 D260 E261 R267	F259-K265 HydrophobicContact CE2-CB 4.38Å; F259-K265 HydrophobicContact CZ-CB 3.98Å; F259-K265 HydrophobicContact CZ-CG 4.13Å; D260-K265 PolarHBondContact O-N 2.85Å; E261-K265 WeakPolarHBondContact O-CB 3.39Å; K265-R267 PolarHBondContact O-N 2.83Å
266	H	86.5	Confident	89.3	Confident	84 Å²	84	43 Å²	43	39%	0.389	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	30.8	176.8	-54.2	143.9	0	0	0	113.9	S264 E291 T603	S264-H266 PolarHBondContact O-N 3.47Å; H266-E291 IonicContact CE1-OE1 2.76Å; H266-E291 IonicContact CE1-OE2 2.96Å; H266-E291 PolarHBondContact CE1-OE2 2.96Å; H266-E291 IonicContact CG-OE2 3.78Å; H266-E291 IonicContact ND1-OE1 3.39Å; H266-E291 IonicContact ND1-OE2 3.25Å; H266-E291 PolarHBondContact ND1-OE2 2.8Å; H266-T603 PolarHBondContact N-O 2.83Å; H266-T603 VanDerWaalsContact N-O 3.13Å
267	R	90.2	Very high	89.4	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.008	22%	0.217	C	C	.	.			trans	-122.2	130.3	174.4	-67.3	175.9	-177	-95	1.5	109.7	W263 S264 K265 Y286 H287 N289 E295 P296 E297 D602 G604	W263-R267 VanDerWaalsContact O-CD 3.25Å; W263-R267 WeakPolarHBondContact O-CD 3.37Å; S264-R267 PolarHBondContact O-N 2.8Å; K265-R267 PolarHBondContact O-N 2.83Å; R267-Y286 HydrophobicContact CB-CD1 3.94Å; R267-Y286 HydrophobicContact CB-CG 4.44Å; R267-H287 WeakPolarHBondContact CD-O 3.14Å; R267-H287 WeakPolarHBondContact CG-O 3.47Å; R267-H287 PolarHBondContact NH1-O 2.91Å; R267-N289 HydrophobicContact CG-CB 3.7Å; R267-E295 IonicContact CZ-OE2 2.98Å; R267-E295 IonicContact NE-OE2 3.47Å; R267-E295 VanDerWaalsContact NH2-CB 3.26Å; R267-E295 IonicContact NH2-OE2 2.68Å; R267-E295 PolarHBondContact NH2-OE2 3.42Å; R267-P296 PolarHBondContact NH1-O 3.01Å; R267-P296 PolarHBondContact NH2-O 3.35Å; R267-E297 PolarHBondContact NH1-O 2.59Å; R267-D602 CarbonylContact C-O 3.56Å; R267-G604 WeakPolarHBondContact O-CA 3.11Å; R267-G604 PolarHBondContact O-N 2.72Å; R267-G604 VanDerWaalsContact O-N 3.09Å
268	T	92.2	Very high	89.5	Confident	52 Å²	52	45 Å²	45	32%	0.319	21%	0.214	S	C	.	.			trans	-72.4	140	174.1	61.2	0	0	0	0	110.3	Y286 H287 D602	T268-Y286 WeakPolarHBondContact O-CA 3.31Å; T268-H287 PolarHBondContact O-N 3.05Å; T268-H287 VanDerWaalsContact OG1-CB 3.3Å; T268-H287 WeakPolarHBondContact OG1-CB 2.88Å; T268-D602 WeakPolarHBondContact CA-O 3.45Å; T268-D602 HydrophobicContact CG2-CB 4.11Å; T268-D602 WeakPolarHBondContact CG2-O 3.48Å
269	I	94.6	Very high	89.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.3	175.6	-69.1	156.7	0	0	0	108.8	L272 A285 Y286 N586 G600 D601 R605 V606	I269-L272 HydrophobicContact CG2-CD2 3.83Å; I269-L272 HydrophobicContact CG2-CG 3.99Å; I269-A285 CarbonylContact C-O 3.16Å; I269-A285 WeakPolarHBondContact CA-O 3.29Å; I269-Y286 HydrophobicContact CD1-CE1 3.96Å; I269-Y286 HydrophobicContact CG1-CD1 3.74Å; I269-Y286 HydrophobicContact CG1-CE1 3.4Å; I269-N586 PolarHBondContact O-ND2 3.45Å; I269-G600 VanDerWaalsContact CD1-CA 3.43Å; I269-D601 PolarHBondContact N-O 2.84Å; I269-D601 VanDerWaalsContact N-O 3.12Å; I269-R605 WeakPolarHBondContact CD1-O 3.43Å; I269-V606 HydrophobicContact CD1-CG2 3.5Å; I269-V606 VanDerWaalsContact CD1-CG2 3.5Å; I269-V606 HydrophobicContact CG1-CG2 4.45Å
270	T	93.7	Very high	89.3	Confident	20 Å²	20	47.7 Å²	47.7	12%	0.123	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-27.3	-173.9	56.3	0	0	0	0	113.1	A285 H287 V323 T324 K587	T270-A285 PolarHBondContact N-O 3.07Å; T270-A285 WeakPolarHBondContact OG1-CB 3.19Å; T270-A285 PolarHBondContact OG1-O 2.93Å; T270-H287 HydrophobicContact CG2-CB 3.69Å; T270-V323 PolarHBondContact OG1-O 2.84Å; T270-T324 VanDerWaalsContact CB-O 3.3Å; T270-T324 WeakPolarHBondContact CB-O 3.36Å; T270-K587 VanDerWaalsContact O-CE 3.23Å; T270-K587 WeakPolarHBondContact O-CE 3.47Å
271	G	92.7	Very high	89.6	Confident	9 Å²	9	47.2 Å²	47.2	9%	0.093	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	145	179.4	0	0	0	0	0	112.5	A285	G271-A285 PolarHBondContact O-N 3.43Å
272	L	95	Very high	90	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.068	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.4	175.8	-68.1	176.2	0	0	0	108.9	I269 L283 T284 K587 R589 A598 V606	I269-L272 HydrophobicContact CG2-CD2 3.83Å; I269-L272 HydrophobicContact CG2-CG 3.99Å; L272-L283 WeakPolarHBondContact CA-O 3.39Å; L272-T284 HydrophobicContact CD2-CG2 3.28Å; L272-K587 HydrophobicContact CD1-CB 3.91Å; L272-K587 WeakPolarHBondContact CD1-O 3.44Å; L272-K587 HydrophobicContact CG-CB 4.08Å; L272-R589 HydrophobicContact CB-CB 3.89Å; L272-A598 HydrophobicContact CD1-CB 4.29Å; L272-V606 HydrophobicContact CD2-CG1 4.39Å
273	D	94.2	Very high	90.5	Very high	23 Å²	23	31.9 Å²	31.9	12%	0.123	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	139.4	174.3	-154.9	18.9	0	0	0	111.6	L283 S327 L328 R589	D273-L283 HydrophobicContact CB-CB 4.5Å; D273-L283 HydrophobicContact CB-CD2 4.5Å; D273-L283 PolarHBondContact N-O 3.23Å; D273-L283 WeakPolarHBondContact O-CB 3.09Å; D273-L283 PolarHBondContact O-N 3.05Å; D273-S327 VanDerWaalsContact OD2-CA 3.24Å; D273-S327 WeakPolarHBondContact OD2-CA 3.46Å; D273-S327 WeakPolarHBondContact OD2-CB 3.43Å; D273-S327 PolarHBondContact OD2-OG 2.92Å; D273-L328 PolarHBondContact OD2-N 3.04Å; D273-R589 IonicContact OD1-NE 3.68Å
274	W	93.1	Very high	91	Very high	8 Å²	8	30.7 Å²	30.7	3%	0.03	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	141.6	178.1	-70.5	94.1	0	0	0	110	T276 L282 M305 R589 W590 N591 A598 V608	W274-T276 PolarHBondContact O-N 3.17Å; W274-L282 HydrophobicContact CD2-CB 4.47Å; W274-L282 HydrophobicContact CD2-CD1 3.82Å; W274-L282 HydrophobicContact CE3-CB 4.04Å; W274-L282 HydrophobicContact CE3-CD1 4.26Å; W274-L282 HydrophobicContact CG-CD1 4.18Å; W274-L282 HydrophobicContact CH2-CB 4.26Å; W274-L282 HydrophobicContact CH2-CD2 4.34Å; W274-L282 HydrophobicContact CZ2-CD1 4.13Å; W274-L282 HydrophobicContact CZ2-CD2 4.33Å; W274-L282 HydrophobicContact CZ3-CB 3.92Å; W274-M305 HydrophobicContact CH2-CE 4.43Å; W274-M305 HydrophobicContact CH2-CG 3.94Å; W274-M305 HydrophobicContact CH2-SD 4.01Å; W274-M305 HydrophobicContact CZ3-CG 3.8Å; W274-M305 HydrophobicContact CZ3-SD 4.46Å; W274-R589 PolarHBondContact NE1-O 3.31Å; W274-W590 VanDerWaalsContact CD1-C 3.46Å; W274-N591 HydrophobicContact CD2-CB 4.11Å; W274-N591 HydrophobicContact CE3-CB 4.48Å; W274-N591 HydrophobicContact CG-CB 4.45Å; W274-N591 HydrophobicContact CZ2-CB 4.31Å; W274-A598 HydrophobicContact CZ2-CB 3.56Å; W274-V608 HydrophobicContact CH2-CG1 3.99Å; W274-V608 HydrophobicContact CH2-CG2 4.32Å; W274-V608 HydrophobicContact CZ2-CG1 4.06Å; W274-V608 HydrophobicContact CZ2-CG2 4.47Å
275	S	91.6	Very high	91.4	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.021	16%	0.16	C	C	.	.			trans	-72.2	129.5	170.8	176.8	0	0	0	0	109.6	I277 F278 L281	S275-I277 VanDerWaalsContact C-N 3.32Å; S275-I277 PolarHBondContact OG-N 3.37Å; S275-F278 VanDerWaalsContact CB-O 3.29Å; S275-F278 WeakPolarHBondContact CB-O 3.37Å; S275-F278 CarbonylContact O-C 3.52Å; S275-F278 PolarHBondContact OG-N 3.08Å; S275-F278 VanDerWaalsContact OG-N 3.16Å; S275-L281 PolarHBondContact N-O 3.33Å; S275-L281 VanDerWaalsContact N-O 3.07Å
276	T	87	Confident	91.8	Very high	62 Å²	62	25.9 Å²	25.9	38%	0.38	14%	0.139	S	C	.	.	S	Bend	trans	-77.7	-19.1	177.9	58.9	0	0	0	0	113.4	W274 R330 T592	W274-T276 PolarHBondContact O-N 3.17Å; T276-R330 HydrophobicContact CG2-CB 4.5Å; T276-R330 HydrophobicContact CG2-CG 4.06Å; T276-R330 PolarHBondContact OG1-O 2.81Å; T276-T592 HydrophobicContact CG2-CG2 3.92Å
277	I	89.4	Confident	92	Very high	74 Å²	74	23.8 Å²	23.8	38%	0.379	13%	0.13	S	C	.	.	S	Bend	trans	-96.2	-36.9	-177.4	-61.5	167.5	0	0	0	110.2	S275 P333	S275-I277 VanDerWaalsContact C-N 3.32Å; S275-I277 PolarHBondContact OG-N 3.37Å; I277-P333 HydrophobicContact CB-CB 4.09Å; I277-P333 HydrophobicContact CD1-CB 3.73Å; I277-P333 VanDerWaalsContact CD1-CD 3.48Å; I277-P333 HydrophobicContact CD1-CG 3.77Å; I277-P333 HydrophobicContact CG1-CB 4.48Å; I277-P333 HydrophobicContact CG2-CB 4.23Å; I277-P333 HydrophobicContact CG2-CG 4.32Å
278	F	89.3	Confident	92	Very high	82 Å²	82	27.3 Å²	27.3	36%	0.36	15%	0.147	S	C	.	.			trans	-119.9	83.4	178.2	-60.9	-56.5	0	0	0	108.5	S275 E280 L281 P333	S275-F278 VanDerWaalsContact CB-O 3.29Å; S275-F278 WeakPolarHBondContact CB-O 3.37Å; S275-F278 CarbonylContact O-C 3.52Å; S275-F278 PolarHBondContact OG-N 3.08Å; S275-F278 VanDerWaalsContact OG-N 3.16Å; F278-E280 VanDerWaalsContact CA-OE2 3.31Å; F278-E280 WeakPolarHBondContact CA-OE2 3.46Å; F278-E280 PolarHBondContact O-N 2.68Å; F278-L281 HydrophobicContact CB-CB 4.33Å; F278-L281 HydrophobicContact CB-CD1 3.81Å; F278-L281 HydrophobicContact CB-CG 3.93Å; F278-L281 HydrophobicContact CD2-CD1 4.06Å; F278-L281 HydrophobicContact CG-CD1 4.26Å; F278-L281 PolarHBondContact O-N 3.19Å; F278-P333 HydrophobicContact CD2-CB 3.75Å; F278-P333 HydrophobicContact CE2-CB 3.51Å; F278-P333 HydrophobicContact CE2-CG 3.88Å
279	P	87.1	Confident	91.7	Very high	58 Å²	58	25.8 Å²	25.8	38%	0.377	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-10.9	-173.3	27.2	-35.9	0	0	0	113.7	L281	P279-L281 VanDerWaalsContact C-N 3.34Å
280	E	87.5	Confident	91	Very high	40 Å²	40	33.5 Å²	33.5	19%	0.187	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-16	171.1	72	-90	-135.7	0	0	114.2	F278 N304 M305 K306	F278-E280 VanDerWaalsContact CA-OE2 3.31Å; F278-E280 WeakPolarHBondContact CA-OE2 3.46Å; F278-E280 PolarHBondContact O-N 2.68Å; E280-N304 WeakPolarHBondContact O-CA 3.17Å; E280-M305 HydrophobicContact CB-CB 4.32Å; E280-M305 WeakPolarHBondContact O-CB 3.34Å; E280-M305 WeakPolarHBondContact O-CG 3.35Å; E280-M305 PolarHBondContact O-N 2.98Å; E280-K306 HydrophobicContact CB-CD 4.33Å; E280-K306 HydrophobicContact CB-CG 4.15Å; E280-K306 HydrophobicContact CG-CD 4.11Å; E280-K306 HydrophobicContact CG-CG 4.41Å; E280-K306 IonicContact OE1-NZ 2.69Å; E280-K306 PolarHBondContact OE1-NZ 2.54Å
281	L	91.8	Very high	90.3	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.063	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.8	-176.2	-65	-177.5	0	0	0	111.4	S275 F278 P279 M302 W303 N304 E314	S275-L281 PolarHBondContact N-O 3.33Å; S275-L281 VanDerWaalsContact N-O 3.07Å; F278-L281 HydrophobicContact CB-CB 4.33Å; F278-L281 HydrophobicContact CB-CD1 3.81Å; F278-L281 HydrophobicContact CB-CG 3.93Å; F278-L281 HydrophobicContact CD2-CD1 4.06Å; F278-L281 HydrophobicContact CG-CD1 4.26Å; F278-L281 PolarHBondContact O-N 3.19Å; P279-L281 VanDerWaalsContact C-N 3.34Å; L281-M302 HydrophobicContact CB-CG 4.34Å; L281-M302 HydrophobicContact CB-SD 4.46Å; L281-M302 HydrophobicContact CD1-CE 4.46Å; L281-M302 HydrophobicContact CD1-SD 4.4Å; L281-M302 HydrophobicContact CD2-CG 4.45Å; L281-W303 WeakPolarHBondContact CA-O 3.12Å; L281-N304 HydrophobicContact CD2-CB 3.98Å; L281-E314 WeakPolarHBondContact CD2-OE2 3.33Å
282	L	93.2	Very high	89.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.3	176.9	174.6	63.1	0	0	0	110	W274 T284 M302 W303 A598 V606 V608	W274-L282 HydrophobicContact CD2-CB 4.47Å; W274-L282 HydrophobicContact CD2-CD1 3.82Å; W274-L282 HydrophobicContact CE3-CB 4.04Å; W274-L282 HydrophobicContact CE3-CD1 4.26Å; W274-L282 HydrophobicContact CG-CD1 4.18Å; W274-L282 HydrophobicContact CH2-CB 4.26Å; W274-L282 HydrophobicContact CH2-CD2 4.34Å; W274-L282 HydrophobicContact CZ2-CD1 4.13Å; W274-L282 HydrophobicContact CZ2-CD2 4.33Å; W274-L282 HydrophobicContact CZ3-CB 3.92Å; L282-T284 HydrophobicContact CD2-CG2 4.42Å; L282-T284 HydrophobicContact CG-CG2 4.24Å; L282-M302 CarbonylContact O-C 3.59Å; L282-M302 WeakPolarHBondContact O-CA 3.42Å; L282-W303 HydrophobicContact CB-CB 4.48Å; L282-W303 PolarHBondContact N-O 2.65Å; L282-W303 PolarHBondContact O-N 3.21Å; L282-A598 HydrophobicContact CD1-CB 3.82Å; L282-A598 HydrophobicContact CD2-CB 3.64Å; L282-A598 HydrophobicContact CG-CB 4.41Å; L282-V606 HydrophobicContact CD2-CG1 3.56Å; L282-V608 HydrophobicContact CD2-CG2 3.99Å
283	L	94.5	Very high	88.7	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.3	170.8	178.9	70.8	0	0	0	110.2	L272 D273 C300 A326 L328 V336	L272-L283 WeakPolarHBondContact CA-O 3.39Å; D273-L283 HydrophobicContact CB-CB 4.5Å; D273-L283 HydrophobicContact CB-CD2 4.5Å; D273-L283 PolarHBondContact N-O 3.23Å; D273-L283 WeakPolarHBondContact O-CB 3.09Å; D273-L283 PolarHBondContact O-N 3.05Å; L283-C300 HydrophobicContact CD1-CB 4.2Å; L283-A326 HydrophobicContact CD2-CB 3.73Å; L283-A326 HydrophobicContact CG-CB 4.44Å; L283-L328 HydrophobicContact CB-CD1 3.77Å; L283-L328 HydrophobicContact CB-CD2 4.07Å; L283-L328 HydrophobicContact CB-CG 3.74Å; L283-L328 HydrophobicContact CD1-CD2 4.45Å; L283-L328 HydrophobicContact CD2-CD2 3.83Å; L283-L328 HydrophobicContact CD2-CG 3.74Å; L283-L328 HydrophobicContact CG-CD2 4.34Å; L283-L328 HydrophobicContact CG-CG 4.32Å; L283-V336 HydrophobicContact CD1-CG1 3.75Å; L283-V336 HydrophobicContact CD2-CG1 3.53Å; L283-V336 HydrophobicContact CG-CG1 4.3Å
284	T	95.2	Very high	88	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.2	175.5	51.3	0	0	0	0	109.6	L272 L282 Y286 C300 L301 W303 V606	L272-T284 HydrophobicContact CD2-CG2 3.28Å; L282-T284 HydrophobicContact CD2-CG2 4.42Å; L282-T284 HydrophobicContact CG-CG2 4.24Å; T284-Y286 VanDerWaalsContact OG1-CE2 3.23Å; T284-Y286 WeakPolarHBondContact OG1-CE2 3.39Å; T284-C300 CarbonylContact O-C 3.5Å; T284-C300 VanDerWaalsContact O-CA 3.23Å; T284-C300 WeakPolarHBondContact O-CA 3.44Å; T284-L301 PolarHBondContact N-O 3.45Å; T284-L301 PolarHBondContact O-N 3.24Å; T284-L301 PolarHBondContact OG1-O 3.16Å; T284-W303 VanDerWaalsContact OG1-CD1 3.25Å; T284-W303 PolarHBondContact OG1-NE1 2.88Å; T284-V606 HydrophobicContact CG2-CB 4.32Å; T284-V606 HydrophobicContact CG2-CG1 4.01Å; T284-V606 HydrophobicContact CG2-CG2 3.44Å; T284-V606 VanDerWaalsContact CG2-CG2 3.44Å
285	A	94.8	Very high	87.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.9	172.7	0	0	0	0	0	109.8	I269 T270 G271 V323 A326	I269-A285 CarbonylContact C-O 3.16Å; I269-A285 WeakPolarHBondContact CA-O 3.29Å; T270-A285 PolarHBondContact N-O 3.07Å; T270-A285 WeakPolarHBondContact OG1-CB 3.19Å; T270-A285 PolarHBondContact OG1-O 2.93Å; G271-A285 PolarHBondContact O-N 3.43Å; A285-V323 HydrophobicContact CB-CB 4.46Å; A285-V323 HydrophobicContact CB-CG1 3.81Å; A285-A326 HydrophobicContact CB-CB 3.73Å
286	Y	93.9	Very high	87.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.9	-179.2	-65.5	-89.2	0	0	0	110.6	R267 T268 I269 T284 V299 L301 W303 G604 V606	R267-Y286 HydrophobicContact CB-CD1 3.94Å; R267-Y286 HydrophobicContact CB-CG 4.44Å; T268-Y286 WeakPolarHBondContact O-CA 3.31Å; I269-Y286 HydrophobicContact CD1-CE1 3.96Å; I269-Y286 HydrophobicContact CG1-CD1 3.74Å; I269-Y286 HydrophobicContact CG1-CE1 3.4Å; T284-Y286 VanDerWaalsContact OG1-CE2 3.23Å; T284-Y286 WeakPolarHBondContact OG1-CE2 3.39Å; Y286-V299 WeakPolarHBondContact CB-O 3.47Å; Y286-V299 PolarHBondContact N-O 3.23Å; Y286-V299 PolarHBondContact O-N 3.44Å; Y286-L301 HydrophobicContact CD2-CD1 4.04Å; Y286-L301 HydrophobicContact CD2-CG 3.93Å; Y286-L301 HydrophobicContact CE2-CB 3.87Å; Y286-L301 HydrophobicContact CE2-CD1 3.43Å; Y286-L301 VanDerWaalsContact CE2-CD1 3.43Å; Y286-L301 HydrophobicContact CE2-CG 3.58Å; Y286-W303 PolarHBondContact OH-NE1 3.08Å; Y286-G604 WeakPolarHBondContact CE1-O 3.34Å; Y286-G604 PolarHBondContact OH-O 3.38Å; Y286-V606 WeakPolarHBondContact OH-CG2 3.49Å
287	H	91.7	Very high	87.3	Confident	41 Å²	41	59.7 Å²	59.7	19%	0.19	30%	0.302	C	S	.	.			trans	-79	-175.6	173.5	-154.3	-101.5	0	0	0	112.4	R267 T268 T270 E297 P322	R267-H287 WeakPolarHBondContact CD-O 3.14Å; R267-H287 WeakPolarHBondContact CG-O 3.47Å; R267-H287 PolarHBondContact NH1-O 2.91Å; T268-H287 PolarHBondContact O-N 3.05Å; T268-H287 VanDerWaalsContact OG1-CB 3.3Å; T268-H287 WeakPolarHBondContact OG1-CB 2.88Å; T270-H287 HydrophobicContact CG2-CB 3.69Å; H287-E297 CarbonylContact C-O 3.48Å; H287-E297 VanDerWaalsContact C-O 3.3Å; H287-P322 WeakPolarHBondContact NE2-CB 3.43Å
288	M	90.2	Very high	87.3	Confident	76 Å²	76	56.1 Å²	56.1	37%	0.374	28%	0.284	S	S	.	.			trans	-65.7	142.3	174	81	-163.3	-176.8	0	0	112.2	E290 E297 P322	M288-E290 HydrophobicContact CE-CG 4.41Å; M288-E297 WeakPolarHBondContact CA-O 3.31Å; M288-E297 HydrophobicContact CB-CB 4.32Å; M288-E297 PolarHBondContact N-O 2.77Å; M288-E297 VanDerWaalsContact N-O 3.17Å; M288-P322 HydrophobicContact CB-CB 4.48Å; M288-P322 HydrophobicContact CB-CG 4.22Å; M288-P322 HydrophobicContact SD-CG 4.32Å
289	N	86	Confident	87.5	Confident	20 Å²	20	52.2 Å²	52.2	11%	0.107	27%	0.267	C	S	.	.			trans	-93.3	122	168.5	-176.7	-0.7	0	0	0	108.5	R267 E291 A292	R267-N289 HydrophobicContact CG-CB 3.7Å; N289-E291 PolarHBondContact OD1-N 2.79Å; N289-A292 WeakPolarHBondContact ND2-CB 3.32Å
290	E	80	Confident	87.8	Confident	161 Å²	161	49.5 Å²	49.5	75%	0.752	25%	0.249	S	C	*	.	S	Bend	trans	-74	-27.2	179	-64.4	-167.8	161.9	0	0	112.9	M288	M288-E290 HydrophobicContact CE-CG 4.41Å
291	E	78.2	Confident	88	Confident	142 Å²	142	47.6 Å²	47.6	66%	0.664	24%	0.24	S	C	*	.	S	Bend	trans	-76.8	-30.9	-177.6	-65.4	-171.7	161.2	0	0	112.9	H266 N289	H266-E291 IonicContact CE1-OE1 2.76Å; H266-E291 IonicContact CE1-OE2 2.96Å; H266-E291 PolarHBondContact CE1-OE2 2.96Å; H266-E291 IonicContact CG-OE2 3.78Å; H266-E291 IonicContact ND1-OE1 3.39Å; H266-E291 IonicContact ND1-OE2 3.25Å; H266-E291 PolarHBondContact ND1-OE2 2.8Å; N289-E291 PolarHBondContact OD1-N 2.79Å
292	A	77.2	Confident	88.1	Confident	26 Å²	26	47.1 Å²	47.1	22%	0.215	24%	0.238	C	C	.	.			trans	-115.7	74.1	-172.6	0	0	0	0	0	111.7	N289 H294 E295	N289-A292 WeakPolarHBondContact ND2-CB 3.32Å; A292-H294 PolarHBondContact O-N 3.21Å; A292-H294 VanDerWaalsContact O-N 3.09Å; A292-E295 HydrophobicContact CB-CB 4.33Å; A292-E295 HydrophobicContact CB-CG 3.86Å; A292-E295 WeakPolarHBondContact O-CB 3.3Å; A292-E295 PolarHBondContact O-N 2.93Å
293	V	76.4	Confident	88	Confident	126 Å²	126	47.2 Å²	47.2	76%	0.764	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.6	-178.3	-174.6	0	0	0	0	113.5
294	H	79.8	Confident	87.8	Confident	197 Å²	197	48 Å²	48	91%	0.912	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-13.4	178.2	-62.9	-45.9	0	0	0	114.2	A292	A292-H294 PolarHBondContact O-N 3.21Å; A292-H294 VanDerWaalsContact O-N 3.09Å
295	E	84.3	Confident	87.2	Confident	64 Å²	64	49.4 Å²	49.4	30%	0.299	25%	0.249	S	C	.	.	S	Bend	trans	-81.4	154.1	176.7	-67.6	-178.9	174.6	0	0	111.1	R267 A292 E297	R267-E295 IonicContact CZ-OE2 2.98Å; R267-E295 IonicContact NE-OE2 3.47Å; R267-E295 VanDerWaalsContact NH2-CB 3.26Å; R267-E295 IonicContact NH2-OE2 2.68Å; R267-E295 PolarHBondContact NH2-OE2 3.42Å; A292-E295 HydrophobicContact CB-CB 4.33Å; A292-E295 HydrophobicContact CB-CG 3.86Å; A292-E295 WeakPolarHBondContact O-CB 3.3Å; A292-E295 PolarHBondContact O-N 2.93Å; E295-E297 PolarHBondContact O-N 3.07Å
296	P	86	Confident	86.7	Confident	39 Å²	39	53.3 Å²	53.3	25%	0.253	27%	0.266	S	S	.	.			trans	-53.6	135.6	172.1	-23.8	33.7	0	0	0	111.7	W263 R267 H318 C319	W263-P296 HydrophobicContact CZ3-CG 4.14Å; R267-P296 PolarHBondContact NH1-O 3.01Å; R267-P296 PolarHBondContact NH2-O 3.35Å; P296-H318 HydrophobicContact CB-CB 3.95Å; P296-H318 HydrophobicContact CG-CB 3.97Å; P296-C319 WeakPolarHBondContact CB-O 3.44Å
297	E	87.2	Confident	85.9	Confident	94 Å²	94	55.4 Å²	55.4	44%	0.439	27%	0.274	S	S	.	.	S	Bend	trans	-64.7	-45.5	-176.9	-63.6	-176	169.4	0	0	111.3	R267 H287 M288 E295 Q320 P322	R267-E297 PolarHBondContact NH1-O 2.59Å; H287-E297 CarbonylContact C-O 3.48Å; H287-E297 VanDerWaalsContact C-O 3.3Å; M288-E297 WeakPolarHBondContact CA-O 3.31Å; M288-E297 HydrophobicContact CB-CB 4.32Å; M288-E297 PolarHBondContact N-O 2.77Å; M288-E297 VanDerWaalsContact N-O 3.17Å; E295-E297 PolarHBondContact O-N 3.07Å; E297-Q320 VanDerWaalsContact OE2-O 3.13Å; E297-P322 HydrophobicContact CB-CG 4.08Å; E297-P322 VanDerWaalsContact OE2-CD 3.28Å; E297-P322 WeakPolarHBondContact OE2-CD 3.47Å
298	G	89.5	Confident	85	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.5	178.4	0	0	0	0	0	112.2	C319 S321	G298-C319 PolarHBondContact N-O 2.84Å; G298-C319 PolarHBondContact O-N 3.02Å; G298-S321 WeakPolarHBondContact CA-O 3.43Å; G298-S321 PolarHBondContact N-O 3.47Å
299	V	92.5	Very high	84.1	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.6	177.9	-177.4	0	0	0	0	109.2	W263 Y286 L301 F317	W263-V299 HydrophobicContact CB-CG1 4.41Å; W263-V299 HydrophobicContact CE3-CG1 4.12Å; W263-V299 HydrophobicContact CE3-CG2 3.99Å; W263-V299 HydrophobicContact CZ3-CG2 4.34Å; Y286-V299 WeakPolarHBondContact CB-O 3.47Å; Y286-V299 PolarHBondContact N-O 3.23Å; Y286-V299 PolarHBondContact O-N 3.44Å; V299-L301 HydrophobicContact CG1-CD2 3.55Å; V299-L301 HydrophobicContact CG1-CG 3.97Å; V299-F317 WeakPolarHBondContact CA-O 3.44Å; V299-F317 WeakPolarHBondContact CG1-O 3.4Å
300	C	93.2	Very high	83.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.4	167.7	-61.2	0	0	0	0	109.2	L283 T284 F317 W348	L283-C300 HydrophobicContact CD1-CB 4.2Å; T284-C300 CarbonylContact O-C 3.5Å; T284-C300 VanDerWaalsContact O-CA 3.23Å; T284-C300 WeakPolarHBondContact O-CA 3.44Å; C300-F317 HydrophobicContact CB-CB 4.14Å; C300-F317 HydrophobicContact CB-CD2 4.36Å; C300-F317 PolarHBondContact N-O 2.92Å; C300-F317 WeakPolarHBondContact O-CB 3.28Å; C300-F317 PolarHBondContact O-N 3.3Å; C300-W348 HydrophobicContact CB-CH2 4.47Å; C300-W348 HydrophobicContact CB-CZ3 4.41Å; C300-W348 VanDerWaalsContact SG-CH2 3.52Å
301	L	93.1	Very high	83.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.9	179	-51.9	179	0	0	0	109.5	W263 T284 Y286 V299 W303 P313 I316	W263-L301 HydrophobicContact CB-CD1 3.77Å; W263-L301 HydrophobicContact CB-CD2 3.98Å; W263-L301 HydrophobicContact CB-CG 4.45Å; W263-L301 HydrophobicContact CG-CD2 4.32Å; T284-L301 PolarHBondContact N-O 3.45Å; T284-L301 PolarHBondContact O-N 3.24Å; T284-L301 PolarHBondContact OG1-O 3.16Å; Y286-L301 HydrophobicContact CD2-CD1 4.04Å; Y286-L301 HydrophobicContact CD2-CG 3.93Å; Y286-L301 HydrophobicContact CE2-CB 3.87Å; Y286-L301 HydrophobicContact CE2-CD1 3.43Å; Y286-L301 VanDerWaalsContact CE2-CD1 3.43Å; Y286-L301 HydrophobicContact CE2-CG 3.58Å; V299-L301 HydrophobicContact CG1-CD2 3.55Å; V299-L301 HydrophobicContact CG1-CG 3.97Å; L301-W303 HydrophobicContact CB-CZ2 4.32Å; L301-W303 HydrophobicContact CD1-CH2 4.43Å; L301-W303 HydrophobicContact CD1-CZ2 3.69Å; L301-P313 HydrophobicContact CB-CB 4.08Å; L301-P313 HydrophobicContact CD1-CG 4.32Å; L301-P313 HydrophobicContact CD2-CB 4.48Å; L301-P313 HydrophobicContact CD2-CG 4.11Å; L301-I316 HydrophobicContact CD2-CB 4.14Å; L301-I316 HydrophobicContact CD2-CG1 3.89Å; L301-I316 HydrophobicContact CD2-CG2 3.87Å
302	M	92.8	Very high	84	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.4	172.5	-163.1	142	64	0	0	109.1	L281 L282 E314 F315 L328	L281-M302 HydrophobicContact CB-CG 4.34Å; L281-M302 HydrophobicContact CB-SD 4.46Å; L281-M302 HydrophobicContact CD1-CE 4.46Å; L281-M302 HydrophobicContact CD1-SD 4.4Å; L281-M302 HydrophobicContact CD2-CG 4.45Å; L282-M302 CarbonylContact O-C 3.59Å; L282-M302 WeakPolarHBondContact O-CA 3.42Å; M302-E314 PolarHBondContact O-N 3.37Å; M302-F315 HydrophobicContact CB-CB 3.95Å; M302-F315 HydrophobicContact CB-CD2 4.22Å; M302-F315 HydrophobicContact CE-CB 4.12Å; M302-F315 HydrophobicContact CE-CD2 3.17Å; M302-F315 HydrophobicContact CE-CE2 3.73Å; M302-F315 HydrophobicContact CE-CG 3.85Å; M302-F315 HydrophobicContact CG-CD2 4.44Å; M302-F315 PolarHBondContact N-O 3.3Å; M302-F315 PolarHBondContact O-N 2.93Å; M302-L328 HydrophobicContact SD-CD2 4.26Å
303	W	92	Very high	84.5	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	151.7	-179.9	-57.7	100.7	0	0	0	110.5	F258 D260 L281 L282 T284 Y286 L301 P313	F258-W303 HydrophobicContact CB-CD2 3.57Å; F258-W303 HydrophobicContact CB-CE3 3.65Å; F258-W303 HydrophobicContact CB-CG 4.01Å; F258-W303 HydrophobicContact CB-CH2 4.14Å; F258-W303 HydrophobicContact CB-CZ2 4.14Å; F258-W303 HydrophobicContact CB-CZ3 3.93Å; F258-W303 HydrophobicContact CD1-CB 4.24Å; F258-W303 HydrophobicContact CD1-CD2 4.15Å; F258-W303 AromaticContact CD1-CE3 3.69Å; F258-W303 HydrophobicContact CD1-CE3 3.69Å; F258-W303 HydrophobicContact CD1-CG 4.4Å; F258-W303 HydrophobicContact CD1-CZ3 4.32Å; F258-W303 HydrophobicContact CD2-CB 3.89Å; F258-W303 HydrophobicContact CD2-CD2 4.47Å; F258-W303 HydrophobicContact CD2-CG 4.09Å; F258-W303 HydrophobicContact CE1-CB 4.4Å; F258-W303 HydrophobicContact CE2-CB 4.06Å; F258-W303 HydrophobicContact CG-CB 3.99Å; F258-W303 AromaticContact CG-CD2 3.82Å; F258-W303 HydrophobicContact CG-CD2 3.82Å; F258-W303 AromaticContact CG-CE3 3.81Å; F258-W303 HydrophobicContact CG-CE3 3.81Å; F258-W303 AromaticContact CG-CG 3.91Å; F258-W303 HydrophobicContact CG-CG 3.91Å; F258-W303 HydrophobicContact CG-CZ3 4.47Å; F258-W303 HydrophobicContact CZ-CB 4.32Å; D260-W303 HydrophobicContact CB-CH2 3.74Å; D260-W303 HydrophobicContact CB-CZ2 4.48Å; L281-W303 WeakPolarHBondContact CA-O 3.12Å; L282-W303 HydrophobicContact CB-CB 4.48Å; L282-W303 PolarHBondContact N-O 2.65Å; L282-W303 PolarHBondContact O-N 3.21Å; T284-W303 VanDerWaalsContact OG1-CD1 3.25Å; T284-W303 PolarHBondContact OG1-NE1 2.88Å; Y286-W303 PolarHBondContact OH-NE1 3.08Å; L301-W303 HydrophobicContact CB-CZ2 4.32Å; L301-W303 HydrophobicContact CD1-CH2 4.43Å; L301-W303 HydrophobicContact CD1-CZ2 3.69Å; W303-P313 HydrophobicContact CD2-CB 4.13Å; W303-P313 HydrophobicContact CE3-CB 3.79Å; W303-P313 HydrophobicContact CH2-CB 4.01Å; W303-P313 HydrophobicContact CH2-CG 4.24Å; W303-P313 HydrophobicContact CZ2-CB 4.28Å; W303-P313 HydrophobicContact CZ3-CB 3.73Å; W303-P313 HydrophobicContact CZ3-CG 4.25Å
304	N	89	Confident	85	Confident	18 Å²	18	51.7 Å²	51.7	10%	0.096	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.7	179.9	-170.2	-29.1	0	0	0	110	E280 L281 K306 Y307 E314	E280-N304 WeakPolarHBondContact O-CA 3.17Å; L281-N304 HydrophobicContact CD2-CB 3.98Å; N304-K306 PolarHBondContact O-N 3.5Å; N304-K306 VanDerWaalsContact O-N 3.17Å; N304-K306 VanDerWaalsContact OD1-CB 3.32Å; N304-K306 WeakPolarHBondContact OD1-CB 3.43Å; N304-K306 PolarHBondContact OD1-N 2.94Å; N304-Y307 HydrophobicContact CB-CD2 3.96Å; N304-Y307 PolarHBondContact O-N 3.01Å; N304-Y307 VanDerWaalsContact O-N 3.16Å; N304-E314 WeakPolarHBondContact CB-OE2 3.4Å; N304-E314 PolarHBondContact ND2-OE2 2.77Å
305	M	84.5	Confident	85.4	Confident	28 Å²	28	45.1 Å²	45.1	14%	0.138	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.9	179.7	-70.5	-65.5	-73	0	0	114	N256 F258 W274 E280 Y307 V608	N256-M305 HydrophobicContact CB-CE 4.24Å; N256-M305 HydrophobicContact CB-SD 4.21Å; N256-M305 WeakPolarHBondContact ND2-CE 3.14Å; N256-M305 PolarHBondContact ND2-O 2.91Å; N256-M305 PolarHBondContact ND2-SD 3.46Å; F258-M305 HydrophobicContact CE2-SD 3.62Å; F258-M305 HydrophobicContact CZ-SD 3.84Å; W274-M305 HydrophobicContact CH2-CE 4.43Å; W274-M305 HydrophobicContact CH2-CG 3.94Å; W274-M305 HydrophobicContact CH2-SD 4.01Å; W274-M305 HydrophobicContact CZ3-CG 3.8Å; W274-M305 HydrophobicContact CZ3-SD 4.46Å; E280-M305 HydrophobicContact CB-CB 4.32Å; E280-M305 WeakPolarHBondContact O-CB 3.34Å; E280-M305 WeakPolarHBondContact O-CG 3.35Å; E280-M305 PolarHBondContact O-N 2.98Å; M305-Y307 PolarHBondContact O-N 2.96Å; M305-V608 HydrophobicContact CE-CB 3.85Å; M305-V608 HydrophobicContact CE-CG1 3.45Å; M305-V608 VanDerWaalsContact CE-CG1 3.45Å; M305-V608 HydrophobicContact CE-CG2 4.25Å; M305-V608 HydrophobicContact SD-CB 3.98Å; M305-V608 HydrophobicContact SD-CG1 3.99Å; M305-V608 HydrophobicContact SD-CG2 3.7Å
306	K	82.4	Confident	85.8	Confident	83 Å²	83	43.3 Å²	43.3	36%	0.361	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.3	178.8	-66.3	172.8	177.1	162.9	0	113.3	E280 N304 P308	E280-K306 HydrophobicContact CB-CD 4.33Å; E280-K306 HydrophobicContact CB-CG 4.15Å; E280-K306 HydrophobicContact CG-CD 4.11Å; E280-K306 HydrophobicContact CG-CG 4.41Å; E280-K306 IonicContact OE1-NZ 2.69Å; E280-K306 PolarHBondContact OE1-NZ 2.54Å; N304-K306 PolarHBondContact O-N 3.5Å; N304-K306 VanDerWaalsContact O-N 3.17Å; N304-K306 VanDerWaalsContact OD1-CB 3.32Å; N304-K306 WeakPolarHBondContact OD1-CB 3.43Å; N304-K306 PolarHBondContact OD1-N 2.94Å; K306-P308 VanDerWaalsContact C-CD 3.41Å; K306-P308 WeakPolarHBondContact O-CD 3.41Å
307	Y	78.8	Confident	86.2	Confident	44 Å²	44	41.8 Å²	41.8	17%	0.173	20%	0.201	C	C	.	.			trans	-121.2	64.5	-176.2	-57	-87	0	0	0	112.1	E224 R225 C228 N304 M305 K309 K310	E224-Y307 HydrophobicContact CB-CE1 4.38Å; R225-Y307 HydrophobicContact CB-CE1 3.73Å; R225-Y307 HydrophobicContact CG-CE1 4.3Å; C228-Y307 HydrophobicContact CB-CD1 3.79Å; C228-Y307 HydrophobicContact CB-CG 4.45Å; N304-Y307 HydrophobicContact CB-CD2 3.96Å; N304-Y307 PolarHBondContact O-N 3.01Å; N304-Y307 VanDerWaalsContact O-N 3.16Å; M305-Y307 PolarHBondContact O-N 2.96Å; Y307-K309 PolarHBondContact O-N 2.98Å; Y307-K310 WeakPolarHBondContact O-CB 3.36Å; Y307-K310 PolarHBondContact O-N 3.03Å; Y307-K310 VanDerWaalsContact O-N 3.08Å
308	P	72.2	Confident	86.3	Confident	29 Å²	29	39.5 Å²	39.5	19%	0.188	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-36.6	-170.8	27.7	-37.6	0	0	0	113.8	N256 K306 K310	N256-P308 WeakPolarHBondContact OD1-CB 3.05Å; K306-P308 VanDerWaalsContact C-CD 3.41Å; K306-P308 WeakPolarHBondContact O-CD 3.41Å; P308-K310 PolarHBondContact O-N 2.71Å
309	K	70.8	Confident	86.4	Confident	141 Å²	141	39.6 Å²	39.6	61%	0.613	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.1	178.9	-63.7	-179.8	-177.4	171.3	0	112.9	Y307 L311	Y307-K309 PolarHBondContact O-N 2.98Å; K309-L311 PolarHBondContact O-N 3.21Å
310	K	76.3	Confident	86.2	Confident	68 Å²	68	46.3 Å²	46.3	30%	0.296	22%	0.223	S	C	.	.			trans	-90.9	103	-177.6	-172.2	172.7	-179.9	173.1	0	109.4	E224 Y307 P308 T312	E224-K310 IonicContact OE2-NZ 3.3Å; E224-K310 PolarHBondContact OE2-NZ 3.24Å; Y307-K310 WeakPolarHBondContact O-CB 3.36Å; Y307-K310 PolarHBondContact O-N 3.03Å; Y307-K310 VanDerWaalsContact O-N 3.08Å; P308-K310 PolarHBondContact O-N 2.71Å; K310-T312 WeakPolarHBondContact CE-OG1 3.47Å; K310-T312 WeakPolarHBondContact CG-OG1 3.48Å; K310-T312 PolarHBondContact O-N 3.32Å; K310-T312 VanDerWaalsContact O-N 3.16Å
311	L	79.9	Confident	86.2	Confident	90 Å²	90	47 Å²	47	47%	0.471	23%	0.228	S	C	.	.			trans	-72.3	1.3	174.7	-65.4	-178.9	0	0	0	114.1	F259 K309	F259-L311 VanDerWaalsContact O-CB 3.32Å; F259-L311 WeakPolarHBondContact O-CB 3.41Å; F259-L311 WeakPolarHBondContact O-CD2 3.37Å; K309-L311 PolarHBondContact O-N 3.21Å
312	T	86	Confident	86.2	Confident	80 Å²	80	47.4 Å²	47.4	49%	0.491	23%	0.23	S	C	.	.	S	Bend	trans	-98	124.3	178.2	49.4	0	0	0	0	110	K310	K310-T312 WeakPolarHBondContact CE-OG1 3.47Å; K310-T312 WeakPolarHBondContact CG-OG1 3.48Å; K310-T312 PolarHBondContact O-N 3.32Å; K310-T312 VanDerWaalsContact O-N 3.16Å
313	P	87.9	Confident	86.3	Confident	12 Å²	12	47.2 Å²	47.2	8%	0.078	23%	0.229	C	C	.	.			trans	-67.2	152	-179.9	28	-35.4	0	0	0	111.2	D260 L301 W303 I316	D260-P313 WeakPolarHBondContact OD2-CD 3.37Å; L301-P313 HydrophobicContact CB-CB 4.08Å; L301-P313 HydrophobicContact CD1-CG 4.32Å; L301-P313 HydrophobicContact CD2-CB 4.48Å; L301-P313 HydrophobicContact CD2-CG 4.11Å; W303-P313 HydrophobicContact CD2-CB 4.13Å; W303-P313 HydrophobicContact CE3-CB 3.79Å; W303-P313 HydrophobicContact CH2-CB 4.01Å; W303-P313 HydrophobicContact CH2-CG 4.24Å; W303-P313 HydrophobicContact CZ2-CB 4.28Å; W303-P313 HydrophobicContact CZ3-CB 3.73Å; W303-P313 HydrophobicContact CZ3-CG 4.25Å; P313-I316 HydrophobicContact CB-CG1 4.35Å; P313-I316 HydrophobicContact CG-CD1 3.9Å; P313-I316 HydrophobicContact CG-CG1 3.59Å
314	E	86.1	Confident	86.4	Confident	93 Å²	93	48 Å²	48	44%	0.435	23%	0.234	S	C	.	.	S	Bend	trans	-72.6	-47.9	-178.7	-172.6	177.3	159.7	0	0	111.2	L281 M302 N304	L281-E314 WeakPolarHBondContact CD2-OE2 3.33Å; M302-E314 PolarHBondContact O-N 3.37Å; N304-E314 WeakPolarHBondContact CB-OE2 3.4Å; N304-E314 PolarHBondContact ND2-OE2 2.77Å
315	F	89.8	Confident	86.6	Confident	59 Å²	59	47.7 Å²	47.7	26%	0.259	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.5	175.5	-60.2	-83.5	0	0	0	111	M302 F317	M302-F315 HydrophobicContact CB-CB 3.95Å; M302-F315 HydrophobicContact CB-CD2 4.22Å; M302-F315 HydrophobicContact CE-CB 4.12Å; M302-F315 HydrophobicContact CE-CD2 3.17Å; M302-F315 HydrophobicContact CE-CE2 3.73Å; M302-F315 HydrophobicContact CE-CG 3.85Å; M302-F315 HydrophobicContact CG-CD2 4.44Å; M302-F315 PolarHBondContact N-O 3.3Å; M302-F315 PolarHBondContact O-N 2.93Å; F315-F317 HydrophobicContact CB-CE2 3.89Å; F315-F317 HydrophobicContact CB-CZ 3.89Å; F315-F317 HydrophobicContact CG-CZ 4.46Å
316	I	91.9	Very high	87	Confident	27 Å²	27	46.7 Å²	46.7	14%	0.138	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	115	-177.9	-61.2	160.5	0	0	0	107.7	W263 L301 P313 R355	W263-I316 HydrophobicContact CD2-CG2 4.06Å; W263-I316 HydrophobicContact CG-CG2 4.36Å; W263-I316 HydrophobicContact CZ2-CG2 4.16Å; L301-I316 HydrophobicContact CD2-CB 4.14Å; L301-I316 HydrophobicContact CD2-CG1 3.89Å; L301-I316 HydrophobicContact CD2-CG2 3.87Å; P313-I316 HydrophobicContact CB-CG1 4.35Å; P313-I316 HydrophobicContact CG-CD1 3.9Å; P313-I316 HydrophobicContact CG-CG1 3.59Å; I316-R355 WeakPolarHBondContact O-CB 3.33Å; I316-R355 WeakPolarHBondContact O-CG 3.2Å
317	F	93.6	Very high	87.5	Confident	7 Å²	7	43.5 Å²	43.5	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.2	176.9	-56.8	-64.5	0	0	0	109.7	V299 C300 F315 V336 W348	V299-F317 WeakPolarHBondContact CA-O 3.44Å; V299-F317 WeakPolarHBondContact CG1-O 3.4Å; C300-F317 HydrophobicContact CB-CB 4.14Å; C300-F317 HydrophobicContact CB-CD2 4.36Å; C300-F317 PolarHBondContact N-O 2.92Å; C300-F317 WeakPolarHBondContact O-CB 3.28Å; C300-F317 PolarHBondContact O-N 3.3Å; F315-F317 HydrophobicContact CB-CE2 3.89Å; F315-F317 HydrophobicContact CB-CZ 3.89Å; F315-F317 HydrophobicContact CG-CZ 4.46Å; F317-V336 HydrophobicContact CD2-CG2 4.39Å; F317-V336 HydrophobicContact CE2-CG2 3.71Å; F317-V336 HydrophobicContact CZ-CG2 4.11Å; F317-W348 HydrophobicContact CB-CB 4.47Å; F317-W348 HydrophobicContact CB-CD2 3.96Å; F317-W348 HydrophobicContact CB-CG 3.83Å; F317-W348 HydrophobicContact CD1-CB 3.54Å; F317-W348 AromaticContact CD1-CD1 3.73Å; F317-W348 AromaticContact CD1-CG 3.74Å; F317-W348 HydrophobicContact CD1-CG 3.74Å; F317-W348 HydrophobicContact CD2-CB 4.47Å; F317-W348 HydrophobicContact CE1-CB 3.78Å; F317-W348 HydrophobicContact CE1-CG 4.46Å; F317-W348 HydrophobicContact CG-CB 3.91Å; F317-W348 AromaticContact CG-CD1 3.95Å; F317-W348 HydrophobicContact CG-CD2 4.27Å; F317-W348 AromaticContact CG-CG 3.81Å; F317-W348 HydrophobicContact CG-CG 3.81Å; F317-W348 HydrophobicContact CZ-CB 4.34Å
318	H	90.4	Very high	88.1	Confident	45 Å²	45	41.7 Å²	41.7	21%	0.208	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.4	178.2	63.7	81.5	0	0	0	111.6	P296 W348 R355 T356 P357	P296-H318 HydrophobicContact CB-CB 3.95Å; P296-H318 HydrophobicContact CG-CB 3.97Å; H318-W348 PolarHBondContact O-NE1 2.93Å; H318-R355 VanDerWaalsContact CD2-C 3.42Å; H318-R355 WeakPolarHBondContact CD2-CB 3.32Å; H318-R355 PolarHBondContact CD2-O 3.46Å; H318-R355 PolarHBondContact N-O 2.94Å; H318-R355 WeakPolarHBondContact NE2-CB 3.22Å; H318-T356 WeakPolarHBondContact CE1-CG2 3.47Å; H318-T356 PolarHBondContact NE2-N 3.5Å; H318-P357 VanDerWaalsContact O-CD 3.29Å; H318-P357 WeakPolarHBondContact O-CD 3.48Å
319	C	90.3	Very high	88.9	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.3	176.5	-158.1	0	0	0	0	110.2	P296 G298 S321 V323 W348	P296-C319 WeakPolarHBondContact CB-O 3.44Å; G298-C319 PolarHBondContact N-O 2.84Å; G298-C319 PolarHBondContact O-N 3.02Å; C319-S321 VanDerWaalsContact C-N 3.32Å; C319-S321 WeakPolarHBondContact CB-O 3.37Å; C319-S321 PolarHBondContact SG-O 3.48Å; C319-V323 HydrophobicContact CB-CG2 4.06Å; C319-W348 HydrophobicContact CB-CZ2 4.02Å
320	Q	90.1	Very high	89.6	Confident	142 Å²	142	40.5 Å²	40.5	66%	0.664	20%	0.199	S	C	*	.	S	Bend	trans	-79.1	-18.9	174.3	-70.8	176.3	-8.8	0	0	112.7	E297	E297-Q320 VanDerWaalsContact OE2-O 3.13Å
321	S	92	Very high	90	Very high	15 Å²	15	39.2 Å²	39.2	11%	0.105	19%	0.194	C	C	.	.	S	Bend	trans	-118.5	151.4	179.1	-175.4	0	0	0	0	109	G298 C319 S342	G298-S321 WeakPolarHBondContact CA-O 3.43Å; G298-S321 PolarHBondContact N-O 3.47Å; C319-S321 VanDerWaalsContact C-N 3.32Å; C319-S321 WeakPolarHBondContact CB-O 3.37Å; C319-S321 PolarHBondContact SG-O 3.48Å; S321-S342 WeakPolarHBondContact OG-CB 3.45Å; S321-S342 PolarHBondContact OG-N 3.38Å; S321-S342 PolarHBondContact OG-OG 2.92Å
322	P	93.5	Very high	90.4	Very high	7 Å²	7	37.8 Å²	37.8	5%	0.045	19%	0.185	C	C	.	.			trans	-60	139.2	-179.4	-17.3	30.2	0	0	0	110.7	H287 M288 E297 T340 Y341	H287-P322 WeakPolarHBondContact NE2-CB 3.43Å; M288-P322 HydrophobicContact CB-CB 4.48Å; M288-P322 HydrophobicContact CB-CG 4.22Å; M288-P322 HydrophobicContact SD-CG 4.32Å; E297-P322 HydrophobicContact CB-CG 4.08Å; E297-P322 VanDerWaalsContact OE2-CD 3.28Å; E297-P322 WeakPolarHBondContact OE2-CD 3.47Å; P322-T340 CarbonylContact O-C 3.56Å; P322-T340 WeakPolarHBondContact O-CA 3.32Å; P322-T340 WeakPolarHBondContact O-CB 3.4Å; P322-Y341 PolarHBondContact O-N 3.26Å
323	V	94	Very high	90.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.3	177	-178.3	0	0	0	0	108.5	T270 A285 C319 S325 A326 G339 W348	T270-V323 PolarHBondContact OG1-O 2.84Å; A285-V323 HydrophobicContact CB-CB 4.46Å; A285-V323 HydrophobicContact CB-CG1 3.81Å; C319-V323 HydrophobicContact CB-CG2 4.06Å; V323-S325 WeakPolarHBondContact CG1-O 3.32Å; V323-A326 HydrophobicContact CG1-CB 4.28Å; V323-G339 WeakPolarHBondContact CA-O 3.38Å; V323-G339 WeakPolarHBondContact CG1-O 3.45Å; V323-W348 HydrophobicContact CG2-CH2 3.84Å; V323-W348 HydrophobicContact CG2-CZ2 4.4Å
324	T	94.1	Very high	90.4	Very high	17 Å²	17	36.3 Å²	36.3	10%	0.104	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-35.2	-178.2	41.5	0	0	0	0	111.9	T270 G339 Y341 V372	T270-T324 VanDerWaalsContact CB-O 3.3Å; T270-T324 WeakPolarHBondContact CB-O 3.36Å; T324-G339 PolarHBondContact N-O 3.43Å; T324-G339 PolarHBondContact OG1-O 2.95Å; T324-Y341 HydrophobicContact CG2-CD2 4.16Å; T324-V372 VanDerWaalsContact CB-O 3.32Å; T324-V372 WeakPolarHBondContact CB-O 3.48Å; T324-V372 PolarHBondContact OG1-O 3.39Å
325	S	93.1	Very high	90.7	Very high	12 Å²	12	32.8 Å²	32.8	8%	0.084	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	148.4	173.6	50.7	0	0	0	0	109.7	V323 G338 G339 V372 F373 A374 I375	V323-S325 WeakPolarHBondContact CG1-O 3.32Å; S325-G338 CarbonylContact O-C 3.53Å; S325-G338 WeakPolarHBondContact O-CA 3.37Å; S325-G339 PolarHBondContact O-N 3.3Å; S325-V372 PolarHBondContact OG-O 3.31Å; S325-F373 VanDerWaalsContact CB-O 3.28Å; S325-F373 WeakPolarHBondContact CB-O 3.08Å; S325-F373 PolarHBondContact OG-O 3.13Å; S325-A374 WeakPolarHBondContact OG-CA 3.5Å; S325-I375 WeakPolarHBondContact OG-CG2 3.23Å; S325-I375 PolarHBondContact OG-N 2.67Å
326	A	93	Very high	90.8	Very high	8 Å²	8	30 Å²	30	7%	0.066	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.8	170.9	0	0	0	0	0	109.7	L283 A285 V323 V337	L283-A326 HydrophobicContact CD2-CB 3.73Å; L283-A326 HydrophobicContact CG-CB 4.44Å; A285-A326 HydrophobicContact CB-CB 3.73Å; V323-A326 HydrophobicContact CG1-CB 4.28Å; A326-V337 CarbonylContact C-O 3.59Å; A326-V337 VanDerWaalsContact CA-O 3.31Å; A326-V337 WeakPolarHBondContact CA-O 3.23Å
327	S	92.6	Very high	90.9	Very high	15 Å²	15	28.9 Å²	28.9	11%	0.105	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.5	177.3	-179	0	0	0	0	110	D273 V337	D273-S327 VanDerWaalsContact OD2-CA 3.24Å; D273-S327 WeakPolarHBondContact OD2-CA 3.46Å; D273-S327 WeakPolarHBondContact OD2-CB 3.43Å; D273-S327 PolarHBondContact OD2-OG 2.92Å; S327-V337 PolarHBondContact N-O 3.27Å; S327-V337 PolarHBondContact O-N 3.24Å
328	L	92.6	Very high	90.9	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.037	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	144.7	174.6	-70.3	175.4	0	0	0	110.5	D273 L283 M302 R330 V336	D273-L328 PolarHBondContact OD2-N 3.04Å; L283-L328 HydrophobicContact CB-CD1 3.77Å; L283-L328 HydrophobicContact CB-CD2 4.07Å; L283-L328 HydrophobicContact CB-CG 3.74Å; L283-L328 HydrophobicContact CD1-CD2 4.45Å; L283-L328 HydrophobicContact CD2-CD2 3.83Å; L283-L328 HydrophobicContact CD2-CG 3.74Å; L283-L328 HydrophobicContact CG-CD2 4.34Å; L283-L328 HydrophobicContact CG-CG 4.32Å; M302-L328 HydrophobicContact SD-CD2 4.26Å; L328-R330 PolarHBondContact O-N 3.02Å; L328-V336 HydrophobicContact CD2-CB 4.27Å; L328-V336 HydrophobicContact CD2-CG1 4.23Å; L328-V336 HydrophobicContact CD2-CG2 3.63Å
329	S	89.1	Confident	91.1	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.014	13%	0.129	C	C	.	.			trans	-71.2	121.6	172	172.8	0	0	0	0	110.7	F331 H332 I335 L377	S329-F331 PolarHBondContact O-N 3.11Å; S329-F331 PolarHBondContact OG-N 2.85Å; S329-H332 WeakPolarHBondContact CB-O 3.31Å; S329-H332 PolarHBondContact OG-N 2.9Å; S329-I335 PolarHBondContact N-O 2.92Å; S329-L377 WeakPolarHBondContact OG-CD2 3.37Å
330	R	85.6	Confident	91.3	Very high	142 Å²	142	26.3 Å²	26.3	54%	0.536	13%	0.129	S	C	.	.	S	Bend	trans	-63.8	-19.5	174.5	-60.6	-174.6	-177.7	169.8	1	113.5	T276 L328	T276-R330 HydrophobicContact CG2-CB 4.5Å; T276-R330 HydrophobicContact CG2-CG 4.06Å; T276-R330 PolarHBondContact OG1-O 2.81Å; L328-R330 PolarHBondContact O-N 3.02Å
331	F	85.2	Confident	91.4	Very high	41 Å²	41	26 Å²	26	18%	0.18	12%	0.122	C	C	.	.	S	Bend	trans	-106.3	-31.3	-174.5	-47.3	-64.3	0	0	0	113.2	S329 L377 G379 Q381 H384	S329-F331 PolarHBondContact O-N 3.11Å; S329-F331 PolarHBondContact OG-N 2.85Å; F331-L377 HydrophobicContact CD2-CD2 3.67Å; F331-L377 HydrophobicContact CE2-CD2 3.91Å; F331-L377 HydrophobicContact CE2-CG 4.4Å; F331-G379 VanDerWaalsContact CZ-C 3.41Å; F331-G379 WeakPolarHBondContact CZ-O 3.4Å; F331-Q381 HydrophobicContact CB-CB 4.39Å; F331-Q381 HydrophobicContact CB-CG 4.33Å; F331-Q381 HydrophobicContact CD1-CB 4.08Å; F331-Q381 HydrophobicContact CG-CB 4.41Å; F331-H384 HydrophobicContact CD2-CB 3.6Å; F331-H384 AromaticContact CD2-CG 3.8Å; F331-H384 HydrophobicContact CE2-CB 3.47Å; F331-H384 VanDerWaalsContact CE2-CB 3.47Å
332	H	87.2	Confident	91.4	Very high	61 Å²	61	27 Å²	27	28%	0.282	13%	0.129	S	C	.	.			trans	-123.3	100.8	-177.4	-64.9	-52.4	0	0	0	109.2	S329 N334 I335 H384	S329-H332 WeakPolarHBondContact CB-O 3.31Å; S329-H332 PolarHBondContact OG-N 2.9Å; H332-N334 PolarHBondContact O-N 2.91Å; H332-I335 HydrophobicContact CB-CB 4.22Å; H332-I335 HydrophobicContact CB-CG1 3.82Å; H332-I335 PolarHBondContact O-N 3.23Å; H332-I335 VanDerWaalsContact O-N 3.09Å; H332-H384 AromaticContact CD2-CE1 3.9Å; H332-H384 AromaticContact NE2-CE1 3.57Å
333	P	85.3	Confident	91.3	Very high	26 Å²	26	26.7 Å²	26.7	17%	0.169	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.6	-167.9	22	-28.1	0	0	0	113.9	I277 F278	I277-P333 HydrophobicContact CB-CB 4.09Å; I277-P333 HydrophobicContact CD1-CB 3.73Å; I277-P333 VanDerWaalsContact CD1-CD 3.48Å; I277-P333 HydrophobicContact CD1-CG 3.77Å; I277-P333 HydrophobicContact CG1-CB 4.48Å; I277-P333 HydrophobicContact CG2-CB 4.23Å; I277-P333 HydrophobicContact CG2-CG 4.32Å; F278-P333 HydrophobicContact CD2-CB 3.75Å; F278-P333 HydrophobicContact CE2-CB 3.51Å; F278-P333 HydrophobicContact CE2-CG 3.88Å
334	N	88.9	Confident	91.2	Very high	35 Å²	35	28.9 Å²	28.9	19%	0.187	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-7.2	-175.5	-63.5	33.7	0	0	0	112.2	H332 D349 S350 R351	H332-N334 PolarHBondContact O-N 2.91Å; N334-D349 CarbonylContact O-C 3.55Å; N334-D349 WeakPolarHBondContact O-CA 3.24Å; N334-S350 WeakPolarHBondContact CA-OG 3.49Å; N334-S350 WeakPolarHBondContact CB-OG 3.44Å; N334-S350 PolarHBondContact O-N 3.27Å; N334-S350 PolarHBondContact O-OG 2.68Å; N334-R351 HydrophobicContact CB-CG 3.94Å; N334-R351 WeakPolarHBondContact ND2-CG 3.09Å; N334-R351 PolarHBondContact ND2-NE 3.38Å
335	I	92.2	Very high	91.2	Very high	19 Å²	19	28 Å²	28	10%	0.097	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.1	-175.2	-55.1	-61.1	0	0	0	110.3	S329 H332 V337 L347 W348 D349 L400	S329-I335 PolarHBondContact N-O 2.92Å; H332-I335 HydrophobicContact CB-CB 4.22Å; H332-I335 HydrophobicContact CB-CG1 3.82Å; H332-I335 PolarHBondContact O-N 3.23Å; H332-I335 VanDerWaalsContact O-N 3.09Å; I335-V337 HydrophobicContact CG2-CG2 4.43Å; I335-L347 HydrophobicContact CD1-CD2 4.39Å; I335-L347 HydrophobicContact CG2-CD1 4Å; I335-L347 HydrophobicContact CG2-CD2 4.01Å; I335-L347 HydrophobicContact CG2-CG 3.84Å; I335-W348 WeakPolarHBondContact CA-O 3.49Å; I335-D349 HydrophobicContact CD1-CB 3.74Å; I335-L400 HydrophobicContact CG2-CD1 3.99Å; I335-L400 HydrophobicContact CG2-CD2 4.47Å
336	V	93	Very high	91.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.2	176.3	-172.6	0	0	0	0	108.6	L283 F317 L328 L347 W348	L283-V336 HydrophobicContact CD1-CG1 3.75Å; L283-V336 HydrophobicContact CD2-CG1 3.53Å; L283-V336 HydrophobicContact CG-CG1 4.3Å; F317-V336 HydrophobicContact CD2-CG2 4.39Å; F317-V336 HydrophobicContact CE2-CG2 3.71Å; F317-V336 HydrophobicContact CZ-CG2 4.11Å; L328-V336 HydrophobicContact CD2-CB 4.27Å; L328-V336 HydrophobicContact CD2-CG1 4.23Å; L328-V336 HydrophobicContact CD2-CG2 3.63Å; V336-L347 WeakPolarHBondContact O-CA 3.44Å; V336-W348 HydrophobicContact CB-CB 4.24Å; V336-W348 HydrophobicContact CB-CE3 4.11Å; V336-W348 HydrophobicContact CG1-CE3 3.87Å; V336-W348 HydrophobicContact CG1-CZ3 4.32Å; V336-W348 PolarHBondContact N-O 2.92Å; V336-W348 PolarHBondContact O-N 2.82Å
337	V	94	Very high	91.2	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.024	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.9	178.3	-170.3	0	0	0	0	108.8	A326 S327 I335 I345 I375 I386 L400	A326-V337 CarbonylContact C-O 3.59Å; A326-V337 VanDerWaalsContact CA-O 3.31Å; A326-V337 WeakPolarHBondContact CA-O 3.23Å; S327-V337 PolarHBondContact N-O 3.27Å; S327-V337 PolarHBondContact O-N 3.24Å; I335-V337 HydrophobicContact CG2-CG2 4.43Å; V337-I345 HydrophobicContact CG1-CG2 3.99Å; V337-I375 HydrophobicContact CG1-CD1 3.46Å; V337-I375 VanDerWaalsContact CG1-CD1 3.46Å; V337-I375 HydrophobicContact CG1-CG1 4.08Å; V337-I386 HydrophobicContact CB-CD1 4.49Å; V337-I386 HydrophobicContact CG1-CD1 3.71Å; V337-I386 HydrophobicContact CG1-CG1 4.13Å; V337-I386 HydrophobicContact CG1-CG2 3.87Å; V337-I386 HydrophobicContact CG2-CD1 3.89Å; V337-I386 HydrophobicContact CG2-CG1 4.21Å; V337-L400 HydrophobicContact CG2-CD1 4.28Å
338	G	93.5	Very high	91.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.5	178.3	0	0	0	0	0	112.6	S325 I345 V346	S325-G338 CarbonylContact O-C 3.53Å; S325-G338 WeakPolarHBondContact O-CA 3.37Å; G338-I345 WeakPolarHBondContact O-CA 3.19Å; G338-V346 PolarHBondContact N-O 2.84Å; G338-V346 WeakPolarHBondContact O-CG2 3.35Å; G338-V346 PolarHBondContact O-N 3.21Å
339	G	93.8	Very high	91.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	137.2	162.9	0	0	0	0	0	109.8	V323 T324 S325	V323-G339 WeakPolarHBondContact CA-O 3.38Å; V323-G339 WeakPolarHBondContact CG1-O 3.45Å; T324-G339 PolarHBondContact N-O 3.43Å; T324-G339 PolarHBondContact OG1-O 2.95Å; S325-G339 PolarHBondContact O-N 3.3Å
340	T	93.6	Very high	91.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	160.3	177.1	69.2	0	0	0	0	112.1	P322 S342 G343 Q344 V346 V372	P322-T340 CarbonylContact O-C 3.56Å; P322-T340 WeakPolarHBondContact O-CA 3.32Å; P322-T340 WeakPolarHBondContact O-CB 3.4Å; T340-S342 VanDerWaalsContact C-N 3.26Å; T340-S342 PolarHBondContact O-N 2.75Å; T340-S342 PolarHBondContact OG1-OG 2.78Å; T340-G343 PolarHBondContact O-N 3.01Å; T340-G343 VanDerWaalsContact O-N 3.16Å; T340-Q344 WeakPolarHBondContact CB-O 3.47Å; T340-Q344 WeakPolarHBondContact CG2-O 3.4Å; T340-Q344 PolarHBondContact N-O 3.04Å; T340-Q344 WeakPolarHBondContact OG1-CA 3.15Å; T340-Q344 WeakPolarHBondContact OG1-CB 3.19Å; T340-Q344 PolarHBondContact OG1-N 2.68Å; T340-Q344 VanDerWaalsContact OG1-N 3.14Å; T340-Q344 PolarHBondContact OG1-O 3.12Å; T340-V346 HydrophobicContact CG2-CG1 3.94Å; T340-V346 HydrophobicContact CG2-CG2 4.06Å; T340-V372 PolarHBondContact O-N 3.5Å
341	Y	92.9	Very high	91.2	Very high	134 Å²	134	29.5 Å²	29.5	53%	0.525	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-29	176	-172.1	-98.6	0	0	0	113	P322 T324 G343 P371	P322-Y341 PolarHBondContact O-N 3.26Å; T324-Y341 HydrophobicContact CG2-CD2 4.16Å; Y341-G343 PolarHBondContact O-N 3.44Å; Y341-P371 HydrophobicContact CD2-CB 3.58Å; Y341-P371 HydrophobicContact CD2-CG 4.15Å; Y341-P371 HydrophobicContact CE2-CB 3.91Å; Y341-P371 HydrophobicContact CE2-CG 3.95Å; Y341-P371 HydrophobicContact CG-CB 4.13Å; Y341-P371 WeakPolarHBondContact O-CA 3.3Å; Y341-P371 WeakPolarHBondContact O-CB 3.4Å
342	S	92.1	Very high	91.3	Very high	36 Å²	36	30.2 Å²	30.2	25%	0.252	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.1	175.4	67.1	0	0	0	0	114.2	S321 T340 Q344 L363	S321-S342 WeakPolarHBondContact OG-CB 3.45Å; S321-S342 PolarHBondContact OG-N 3.38Å; S321-S342 PolarHBondContact OG-OG 2.92Å; T340-S342 VanDerWaalsContact C-N 3.26Å; T340-S342 PolarHBondContact O-N 2.75Å; T340-S342 PolarHBondContact OG1-OG 2.78Å; S342-Q344 PolarHBondContact OG-N 3.1Å; S342-L363 WeakPolarHBondContact O-CD2 3.26Å
343	G	90.7	Very high	91	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	97.4	-5.3	-169.1	0	0	0	0	0	113.9	T340 Y341 H368 H370	T340-G343 PolarHBondContact O-N 3.01Å; T340-G343 VanDerWaalsContact O-N 3.16Å; Y341-G343 PolarHBondContact O-N 3.44Å; G343-H368 WeakPolarHBondContact O-CB 3.34Å; G343-H370 WeakPolarHBondContact CA-O 3.49Å
344	Q	92.6	Very high	91.1	Very high	45 Å²	45	41 Å²	41	21%	0.21	20%	0.196	C	C	.	.			trans	-74.3	135.5	172.5	-63.6	-178.4	-5.3	0	0	110.9	T340 S342 L363	T340-Q344 WeakPolarHBondContact CB-O 3.47Å; T340-Q344 WeakPolarHBondContact CG2-O 3.4Å; T340-Q344 PolarHBondContact N-O 3.04Å; T340-Q344 WeakPolarHBondContact OG1-CA 3.15Å; T340-Q344 WeakPolarHBondContact OG1-CB 3.19Å; T340-Q344 PolarHBondContact OG1-N 2.68Å; T340-Q344 VanDerWaalsContact OG1-N 3.14Å; T340-Q344 PolarHBondContact OG1-O 3.12Å; S342-Q344 PolarHBondContact OG-N 3.1Å; Q344-L363 HydrophobicContact CG-CD1 4.04Å; Q344-L363 HydrophobicContact CG-CD2 3.54Å; Q344-L363 HydrophobicContact CG-CG 3.55Å
345	I	93.2	Very high	91	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.6	161.7	-56.6	167.4	0	0	0	108	V337 G338 S361 I375 S388 W398	V337-I345 HydrophobicContact CG1-CG2 3.99Å; G338-I345 WeakPolarHBondContact O-CA 3.19Å; I345-S361 WeakPolarHBondContact CA-OG 3.26Å; I345-S361 WeakPolarHBondContact CB-OG 3.27Å; I345-S361 PolarHBondContact N-OG 2.93Å; I345-S361 PolarHBondContact O-N 2.87Å; I345-S361 PolarHBondContact O-OG 2.88Å; I345-I375 HydrophobicContact CG1-CD1 4.26Å; I345-I375 HydrophobicContact CG2-CD1 3.62Å; I345-S388 WeakPolarHBondContact CD1-OG 3.48Å; I345-W398 HydrophobicContact CD1-CD2 3.91Å; I345-W398 HydrophobicContact CD1-CG 3.86Å; I345-W398 HydrophobicContact CD1-CZ2 3.98Å
346	V	92.8	Very high	91	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.3	-177.7	-62.9	0	0	0	0	110.1	G338 T340 W348 P357 R360	G338-V346 PolarHBondContact N-O 2.84Å; G338-V346 WeakPolarHBondContact O-CG2 3.35Å; G338-V346 PolarHBondContact O-N 3.21Å; T340-V346 HydrophobicContact CG2-CG1 3.94Å; T340-V346 HydrophobicContact CG2-CG2 4.06Å; V346-W348 HydrophobicContact CB-CH2 4.46Å; V346-W348 HydrophobicContact CB-CZ2 4.36Å; V346-W348 HydrophobicContact CG2-CD2 4.49Å; V346-W348 HydrophobicContact CG2-CE3 4.25Å; V346-W348 HydrophobicContact CG2-CH2 3.24Å; V346-W348 HydrophobicContact CG2-CZ2 3.49Å; V346-W348 VanDerWaalsContact CG2-CZ2 3.49Å; V346-W348 HydrophobicContact CG2-CZ3 3.66Å; V346-P357 HydrophobicContact CB-CB 4.12Å; V346-R360 HydrophobicContact CG1-CG 4.19Å
347	L	93.4	Very high	90.9	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.058	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.8	178.2	-172.6	152.6	0	0	0	109.1	I335 V336 P357 V358 Q359 L400 L403	I335-L347 HydrophobicContact CD1-CD2 4.39Å; I335-L347 HydrophobicContact CG2-CD1 4Å; I335-L347 HydrophobicContact CG2-CD2 4.01Å; I335-L347 HydrophobicContact CG2-CG 3.84Å; V336-L347 WeakPolarHBondContact O-CA 3.44Å; L347-P357 CarbonylContact O-C 3.44Å; L347-P357 WeakPolarHBondContact O-CA 3.44Å; L347-V358 HydrophobicContact CD2-CB 4.39Å; L347-V358 PolarHBondContact O-N 2.83Å; L347-Q359 HydrophobicContact CB-CB 4.37Å; L347-Q359 PolarHBondContact N-O 2.8Å; L347-Q359 PolarHBondContact O-N 3.35Å; L347-L400 HydrophobicContact CD1-CD1 3.41Å; L347-L400 VanDerWaalsContact CD1-CD1 3.41Å; L347-L400 HydrophobicContact CD1-CG 4.03Å; L347-L403 HydrophobicContact CB-CD1 3.98Å; L347-L403 HydrophobicContact CD1-CD1 4.21Å
348	W	93.2	Very high	90.7	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.7	171.3	-56.6	-87.5	0	0	0	110.3	C300 F317 H318 C319 V323 I335 V336 V346 P357	C300-W348 HydrophobicContact CB-CH2 4.47Å; C300-W348 HydrophobicContact CB-CZ3 4.41Å; C300-W348 VanDerWaalsContact SG-CH2 3.52Å; F317-W348 HydrophobicContact CB-CB 4.47Å; F317-W348 HydrophobicContact CB-CD2 3.96Å; F317-W348 HydrophobicContact CB-CG 3.83Å; F317-W348 HydrophobicContact CD1-CB 3.54Å; F317-W348 AromaticContact CD1-CD1 3.73Å; F317-W348 AromaticContact CD1-CG 3.74Å; F317-W348 HydrophobicContact CD1-CG 3.74Å; F317-W348 HydrophobicContact CD2-CB 4.47Å; F317-W348 HydrophobicContact CE1-CB 3.78Å; F317-W348 HydrophobicContact CE1-CG 4.46Å; F317-W348 HydrophobicContact CG-CB 3.91Å; F317-W348 AromaticContact CG-CD1 3.95Å; F317-W348 HydrophobicContact CG-CD2 4.27Å; F317-W348 AromaticContact CG-CG 3.81Å; F317-W348 HydrophobicContact CG-CG 3.81Å; F317-W348 HydrophobicContact CZ-CB 4.34Å; H318-W348 PolarHBondContact O-NE1 2.93Å; C319-W348 HydrophobicContact CB-CZ2 4.02Å; V323-W348 HydrophobicContact CG2-CH2 3.84Å; V323-W348 HydrophobicContact CG2-CZ2 4.4Å; I335-W348 WeakPolarHBondContact CA-O 3.49Å; V336-W348 HydrophobicContact CB-CB 4.24Å; V336-W348 HydrophobicContact CB-CE3 4.11Å; V336-W348 HydrophobicContact CG1-CE3 3.87Å; V336-W348 HydrophobicContact CG1-CZ3 4.32Å; V336-W348 PolarHBondContact N-O 2.92Å; V336-W348 PolarHBondContact O-N 2.82Å; V346-W348 HydrophobicContact CB-CH2 4.46Å; V346-W348 HydrophobicContact CB-CZ2 4.36Å; V346-W348 HydrophobicContact CG2-CD2 4.49Å; V346-W348 HydrophobicContact CG2-CE3 4.25Å; V346-W348 HydrophobicContact CG2-CH2 3.24Å; V346-W348 HydrophobicContact CG2-CZ2 3.49Å; V346-W348 VanDerWaalsContact CG2-CZ2 3.49Å; V346-W348 HydrophobicContact CG2-CZ3 3.66Å; W348-P357 HydrophobicContact CG-CB 4.42Å
349	D	92.3	Very high	90.6	Very high	28 Å²	28	54 Å²	54	15%	0.15	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.1	173.1	-174.1	-11.6	0	0	0	108.2	N334 I335 R351 V352 V358	N334-D349 CarbonylContact O-C 3.55Å; N334-D349 WeakPolarHBondContact O-CA 3.24Å; I335-D349 HydrophobicContact CD1-CB 3.74Å; D349-R351 PolarHBondContact O-N 2.98Å; D349-R351 VanDerWaalsContact OD1-CB 3.26Å; D349-R351 WeakPolarHBondContact OD1-CB 3.18Å; D349-R351 VanDerWaalsContact OD1-CG 3.26Å; D349-R351 WeakPolarHBondContact OD1-CG 3.38Å; D349-R351 PolarHBondContact OD1-N 3.21Å; D349-V352 HydrophobicContact CB-CG2 4.07Å; D349-V352 PolarHBondContact O-N 3.47Å; D349-V358 HydrophobicContact CB-CG2 3.9Å
350	S	87.6	Confident	90.5	Very high	15 Å²	15	58.6 Å²	58.6	11%	0.105	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.9	177.9	70.2	0	0	0	0	113.2	N334 V352	N334-S350 WeakPolarHBondContact CA-OG 3.49Å; N334-S350 WeakPolarHBondContact CB-OG 3.44Å; N334-S350 PolarHBondContact O-N 3.27Å; N334-S350 PolarHBondContact O-OG 2.68Å; S350-V352 VanDerWaalsContact C-N 3.3Å
351	R	87.6	Confident	90.4	Very high	162 Å²	162	58.7 Å²	58.7	61%	0.611	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.5	175.4	-60.1	171	179.9	170	1.1	112.4	N334 D349	N334-R351 HydrophobicContact CB-CG 3.94Å; N334-R351 WeakPolarHBondContact ND2-CG 3.09Å; N334-R351 PolarHBondContact ND2-NE 3.38Å; D349-R351 PolarHBondContact O-N 2.98Å; D349-R351 VanDerWaalsContact OD1-CB 3.26Å; D349-R351 WeakPolarHBondContact OD1-CB 3.18Å; D349-R351 VanDerWaalsContact OD1-CG 3.26Å; D349-R351 WeakPolarHBondContact OD1-CG 3.38Å; D349-R351 PolarHBondContact OD1-N 3.21Å
352	V	87.4	Confident	90.2	Very high	56 Å²	56	54.7 Å²	54.7	34%	0.339	27%	0.268	S	S	.	.	S	Bend	trans	-88.1	115.3	179.8	-176.7	0	0	0	0	107.4	D349 S350 K354 V358	D349-V352 HydrophobicContact CB-CG2 4.07Å; D349-V352 PolarHBondContact O-N 3.47Å; S350-V352 VanDerWaalsContact C-N 3.3Å; V352-K354 HydrophobicContact CG1-CB 3.92Å; V352-K354 HydrophobicContact CG1-CD 4.4Å; V352-K354 HydrophobicContact CG1-CG 4.06Å; V352-K354 PolarHBondContact O-N 3.13Å; V352-V358 HydrophobicContact CB-CG2 4.3Å; V352-V358 HydrophobicContact CG2-CG2 4.06Å
353	N	80	Confident	89.9	Confident	168 Å²	168	57 Å²	57	90%	0.898	28%	0.278	S	S	*	.	S	Bend	trans	-64.3	4.7	179	-73	-13	0	0	0	114.5
354	K	87.9	Confident	89.6	Confident	146 Å²	146	59.2 Å²	59.2	64%	0.635	29%	0.291	S	S	*	.			trans	-90.7	129.9	173.5	-60.4	-178.2	-179.3	178.9	0	108.6	V352 T356	V352-K354 HydrophobicContact CG1-CB 3.92Å; V352-K354 HydrophobicContact CG1-CD 4.4Å; V352-K354 HydrophobicContact CG1-CG 4.06Å; V352-K354 PolarHBondContact O-N 3.13Å; K354-T356 VanDerWaalsContact C-N 3.27Å; K354-T356 PolarHBondContact O-N 2.95Å
355	R	87.9	Confident	88.9	Confident	118 Å²	118	61.4 Å²	61.4	45%	0.445	31%	0.311	S	S	.	.	S	Bend	trans	-77.6	-14.5	179.6	-56.7	174.7	-176.8	-122.5	-5	113.2	I316 H318	I316-R355 WeakPolarHBondContact O-CB 3.33Å; I316-R355 WeakPolarHBondContact O-CG 3.2Å; H318-R355 VanDerWaalsContact CD2-C 3.42Å; H318-R355 WeakPolarHBondContact CD2-CB 3.32Å; H318-R355 PolarHBondContact CD2-O 3.46Å; H318-R355 PolarHBondContact N-O 2.94Å; H318-R355 WeakPolarHBondContact NE2-CB 3.22Å
356	T	91.6	Very high	88.1	Confident	57 Å²	57	71 Å²	71	35%	0.35	35%	0.347	S	S	.	.	S	Bend	trans	-68.6	149.3	171.8	49.5	0	0	0	0	111.1	H318 K354	H318-T356 WeakPolarHBondContact CE1-CG2 3.47Å; H318-T356 PolarHBondContact NE2-N 3.5Å; K354-T356 VanDerWaalsContact C-N 3.27Å; K354-T356 PolarHBondContact O-N 2.95Å
357	P	91.7	Very high	87.6	Confident	12 Å²	12	71 Å²	71	8%	0.078	35%	0.348	C	S	.	.			trans	-60.1	143.4	172.2	28.8	-36.9	0	0	0	111.2	H318 V346 L347 W348 R360	H318-P357 VanDerWaalsContact O-CD 3.29Å; H318-P357 WeakPolarHBondContact O-CD 3.48Å; V346-P357 HydrophobicContact CB-CB 4.12Å; L347-P357 CarbonylContact O-C 3.44Å; L347-P357 WeakPolarHBondContact O-CA 3.44Å; W348-P357 HydrophobicContact CG-CB 4.42Å; P357-R360 HydrophobicContact CB-CG 4.48Å; P357-R360 HydrophobicContact CG-CG 4.14Å
358	V	89.7	Confident	87.4	Confident	81 Å²	81	70.5 Å²	70.5	49%	0.491	35%	0.345	S	S	.	.	S	Bend	trans	-75.5	-43.8	-179.8	179.4	0	0	0	0	110.2	L347 D349 V352	L347-V358 HydrophobicContact CD2-CB 4.39Å; L347-V358 PolarHBondContact O-N 2.83Å; D349-V358 HydrophobicContact CB-CG2 3.9Å; V352-V358 HydrophobicContact CB-CG2 4.3Å; V352-V358 HydrophobicContact CG2-CG2 4.06Å
359	Q	90.3	Very high	87.1	Confident	62 Å²	62	74.1 Å²	74.1	29%	0.29	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.3	-179.6	-165.2	175.7	4.8	0	0	110.4	L347 E401 L403	L347-Q359 HydrophobicContact CB-CB 4.37Å; L347-Q359 PolarHBondContact N-O 2.8Å; L347-Q359 PolarHBondContact O-N 3.35Å; Q359-E401 PolarHBondContact NE2-O 3.47Å; Q359-L403 HydrophobicContact CB-CD1 4Å; Q359-L403 HydrophobicContact CG-CB 4.05Å; Q359-L403 HydrophobicContact CG-CD1 3.79Å; Q359-L403 HydrophobicContact CG-CG 4.27Å; Q359-L403 VanDerWaalsContact NE2-N 3.15Å
360	R	91.2	Very high	87.1	Confident	97 Å²	97	76.7 Å²	76.7	37%	0.366	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.3	176.3	-56.8	-176.7	178.9	141.3	0.1	108.5	V346 P357	V346-R360 HydrophobicContact CG1-CG 4.19Å; P357-R360 HydrophobicContact CB-CG 4.48Å; P357-R360 HydrophobicContact CG-CG 4.14Å
361	S	91.9	Very high	87.4	Confident	2 Å²	2	76.7 Å²	76.7	1%	0.014	38%	0.378	C	S	.	.			trans	-78.3	150.5	168.2	53.8	0	0	0	0	110.8	I345 L403	I345-S361 WeakPolarHBondContact CA-OG 3.26Å; I345-S361 WeakPolarHBondContact CB-OG 3.27Å; I345-S361 PolarHBondContact N-OG 2.93Å; I345-S361 PolarHBondContact O-N 2.87Å; I345-S361 PolarHBondContact O-OG 2.88Å; S361-L403 WeakPolarHBondContact CA-O 3.15Å; S361-L403 WeakPolarHBondContact CB-O 3.28Å
362	P	89.3	Confident	87.7	Confident	50 Å²	50	69 Å²	69	33%	0.325	35%	0.349	S	S	.	.			trans	-80.7	145.2	-179.8	33.9	-35.7	0	0	0	112	T364 A367 L403 A404	P362-T364 HydrophobicContact CB-CG2 4.05Å; P362-T364 HydrophobicContact CG-CG2 4.27Å; P362-T364 PolarHBondContact O-N 2.71Å; P362-T364 VanDerWaalsContact O-N 3.07Å; P362-A367 WeakPolarHBondContact O-CB 3.36Å; P362-L403 WeakPolarHBondContact CD-O 3.16Å; P362-A404 WeakPolarHBondContact CD-O 3.37Å; P362-A404 WeakPolarHBondContact CG-O 3.28Å
363	L	86.5	Confident	87.9	Confident	85 Å²	85	69.5 Å²	69.5	45%	0.445	35%	0.347	S	S	.	.			trans	-76.8	88	171.9	-67.6	168.2	0	0	0	109.5	S342 Q344	S342-L363 WeakPolarHBondContact O-CD2 3.26Å; Q344-L363 HydrophobicContact CG-CD1 4.04Å; Q344-L363 HydrophobicContact CG-CD2 3.54Å; Q344-L363 HydrophobicContact CG-CG 3.55Å
364	T	82.6	Confident	88.5	Confident	48 Å²	48	62.2 Å²	62.2	29%	0.294	31%	0.31	S	S	.	.			trans	-130.3	159.2	179.2	64.1	0	0	0	0	110.7	P362 W366 A367	P362-T364 HydrophobicContact CB-CG2 4.05Å; P362-T364 HydrophobicContact CG-CG2 4.27Å; P362-T364 PolarHBondContact O-N 2.71Å; P362-T364 VanDerWaalsContact O-N 3.07Å; T364-W366 PolarHBondContact O-N 2.83Å; T364-A367 CarbonylContact O-C 3.56Å; T364-A367 WeakPolarHBondContact O-CA 3.36Å; T364-A367 PolarHBondContact O-N 3.05Å; T364-A367 PolarHBondContact OG1-N 2.7Å
365	S	78	Confident	88.8	Confident	91 Å²	91	55.6 Å²	55.6	64%	0.636	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.4	177.6	-51.8	0	0	0	0	113.6	A367 K409	S365-A367 VanDerWaalsContact C-N 3.33Å; S365-K409 PolarHBondContact O-NZ 3.5Å
366	W	76.9	Confident	89	Confident	201 Å²	201	51.6 Å²	51.6	76%	0.761	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-19.6	172.9	-62.2	-82.5	0	0	0	113.1	T364 P406 K409	T364-W366 PolarHBondContact O-N 2.83Å; W366-P406 WeakPolarHBondContact O-CG 3.38Å; W366-K409 WeakPolarHBondContact O-CD 3.44Å
367	A	83	Confident	88.9	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.008	25%	0.254	C	S	.	.	S	Bend	trans	-99.8	-138.9	174.8	0	0	0	0	0	109.5	P362 T364 S365 W398 K409	P362-A367 WeakPolarHBondContact O-CB 3.36Å; T364-A367 CarbonylContact O-C 3.56Å; T364-A367 WeakPolarHBondContact O-CA 3.36Å; T364-A367 PolarHBondContact O-N 3.05Å; T364-A367 PolarHBondContact OG1-N 2.7Å; S365-A367 VanDerWaalsContact C-N 3.33Å; A367-W398 HydrophobicContact CB-CH2 3.5Å; A367-W398 VanDerWaalsContact CB-CH2 3.5Å; A367-W398 HydrophobicContact CB-CZ2 3.73Å; A367-K409 PolarHBondContact O-NZ 3.31Å
368	H	88.9	Confident	88.7	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.255	C	S	.	.			trans	-106.2	134.1	174.3	-64.9	-58	0	0	0	110.4	G343 V372 S388 S394 C396	G343-H368 WeakPolarHBondContact O-CB 3.34Å; H368-V372 HydrophobicContact CB-CG2 4.18Å; H368-S388 WeakPolarHBondContact NE2-CB 3.28Å; H368-S388 PolarHBondContact NE2-OG 3.08Å; H368-S394 PolarHBondContact CE1-O 2.81Å; H368-S394 PolarHBondContact CE1-OG 3.14Å; H368-S394 PolarHBondContact ND1-OG 3.04Å; H368-S394 VanDerWaalsContact ND1-OG 3.07Å; H368-C396 PolarHBondContact CE1-SG 3.12Å; H368-C396 WeakPolarHBondContact NE2-CB 3.38Å
369	T	87.7	Confident	88.5	Confident	75 Å²	75	47 Å²	47	46%	0.46	25%	0.246	S	C	.	.	S	Bend	trans	-110.5	-1.8	169.6	56.2	0	0	0	0	112.2
370	H	91.3	Very high	88.2	Confident	83 Å²	83	47.9 Å²	47.9	38%	0.384	26%	0.256	S	S	.	.	S	Bend	trans	-123.1	160.6	-174.4	-71.6	106.3	0	0	0	109.3	G343 S391 D392	G343-H370 WeakPolarHBondContact CA-O 3.49Å; H370-S391 WeakPolarHBondContact CB-OG 3.3Å; H370-D392 HydrophobicContact CB-CB 4.43Å; H370-D392 IonicContact CE1-OD2 3.55Å; H370-D392 IonicContact CG-OD2 3.45Å; H370-D392 WeakPolarHBondContact ND1-CB 3.35Å; H370-D392 IonicContact ND1-OD2 3.74Å; H370-D392 PolarHBondContact ND1-OD2 3.46Å
371	P	93.2	Very high	87.7	Confident	15 Å²	15	49 Å²	49	10%	0.097	27%	0.266	C	S	.	.			trans	-57.9	139.6	-178.1	21.4	-33.3	0	0	0	112.8	Y341 F373 G390 S391	Y341-P371 HydrophobicContact CD2-CB 3.58Å; Y341-P371 HydrophobicContact CD2-CG 4.15Å; Y341-P371 HydrophobicContact CE2-CB 3.91Å; Y341-P371 HydrophobicContact CE2-CG 3.95Å; Y341-P371 HydrophobicContact CG-CB 4.13Å; Y341-P371 WeakPolarHBondContact O-CA 3.3Å; Y341-P371 WeakPolarHBondContact O-CB 3.4Å; P371-F373 HydrophobicContact CG-CZ 4.41Å; P371-F373 PolarHBondContact O-N 2.86Å; P371-G390 CarbonylContact O-C 3.49Å; P371-G390 WeakPolarHBondContact O-CA 3.35Å; P371-S391 PolarHBondContact O-N 2.85Å
372	V	93.8	Very high	87.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	94.9	177.6	178	0	0	0	0	109.3	T324 S325 T340 H368 A374 L389	T324-V372 VanDerWaalsContact CB-O 3.32Å; T324-V372 WeakPolarHBondContact CB-O 3.48Å; T324-V372 PolarHBondContact OG1-O 3.39Å; S325-V372 PolarHBondContact OG-O 3.31Å; T340-V372 PolarHBondContact O-N 3.5Å; H368-V372 HydrophobicContact CB-CG2 4.18Å; V372-A374 PolarHBondContact O-N 3.12Å; V372-L389 CarbonylContact C-O 3.48Å; V372-L389 VanDerWaalsContact CA-O 3.22Å; V372-L389 WeakPolarHBondContact CA-O 3.47Å
373	F	93.6	Very high	87	Confident	67 Å²	67	56.9 Å²	56.9	29%	0.294	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-35.8	-174.7	-73.9	-58.6	0	0	0	113.8	S325 P371 L389 P425 T426	S325-F373 VanDerWaalsContact CB-O 3.28Å; S325-F373 WeakPolarHBondContact CB-O 3.08Å; S325-F373 PolarHBondContact OG-O 3.13Å; P371-F373 HydrophobicContact CG-CZ 4.41Å; P371-F373 PolarHBondContact O-N 2.86Å; F373-L389 PolarHBondContact N-O 2.87Å; F373-P425 WeakPolarHBondContact CD2-O 3.25Å; F373-T426 VanDerWaalsContact CB-O 3.28Å; F373-T426 WeakPolarHBondContact CB-O 3.49Å
374	A	92.4	Very high	87	Confident	15 Å²	15	53.9 Å²	53.9	12%	0.124	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.1	-179.8	0	0	0	0	0	111.8	S325 V372 L389 M428	S325-A374 WeakPolarHBondContact OG-CA 3.5Å; V372-A374 PolarHBondContact O-N 3.12Å; A374-L389 HydrophobicContact CB-CB 4.34Å; A374-L389 HydrophobicContact CB-CD2 4.31Å; A374-L389 PolarHBondContact O-N 3.42Å; A374-M428 HydrophobicContact CB-CB 4.29Å; A374-M428 HydrophobicContact CB-CG 3.45Å; A374-M428 VanDerWaalsContact CB-CG 3.45Å; A374-M428 HydrophobicContact CB-SD 3.7Å
375	I	93.5	Very high	87.3	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.036	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.7	178.7	-164.3	156.8	0	0	0	109.5	S325 V337 I345 I386 I387	S325-I375 WeakPolarHBondContact OG-CG2 3.23Å; S325-I375 PolarHBondContact OG-N 2.67Å; V337-I375 HydrophobicContact CG1-CD1 3.46Å; V337-I375 VanDerWaalsContact CG1-CD1 3.46Å; V337-I375 HydrophobicContact CG1-CG1 4.08Å; I345-I375 HydrophobicContact CG1-CD1 4.26Å; I345-I375 HydrophobicContact CG2-CD1 3.62Å; I375-I386 HydrophobicContact CD1-CG2 3.72Å; I375-I386 HydrophobicContact CG1-CG2 3.63Å; I375-I387 WeakPolarHBondContact CA-O 3.25Å
376	T	91.4	Very high	88	Confident	34 Å²	34	48.6 Å²	48.6	21%	0.209	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.3	-179.8	55.5	0	0	0	0	110.1	I387	T376-I387 PolarHBondContact N-O 2.59Å; T376-I387 PolarHBondContact O-N 2.86Å
377	L	90.2	Very high	88.8	Confident	5 Å²	5	39.2 Å²	39.2	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.3	172.7	-169.9	83.3	0	0	0	110.2	S329 F331 H384 I386	S329-L377 WeakPolarHBondContact OG-CD2 3.37Å; F331-L377 HydrophobicContact CD2-CD2 3.67Å; F331-L377 HydrophobicContact CE2-CD2 3.91Å; F331-L377 HydrophobicContact CE2-CG 4.4Å; L377-H384 HydrophobicContact CG-CB 4.46Å; L377-I386 HydrophobicContact CD1-CB 4.32Å; L377-I386 HydrophobicContact CD1-CD1 4.49Å; L377-I386 HydrophobicContact CD1-CG1 3.37Å
378	I	87.5	Confident	89.2	Confident	18 Å²	18	39.1 Å²	39.1	9%	0.092	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	145.8	-176.1	-34.1	173.2	0	0	0	111.3	H384 N385 I387 F430 V435	I378-H384 CarbonylContact O-C 3.59Å; I378-H384 WeakPolarHBondContact O-CA 3.17Å; I378-N385 PolarHBondContact N-O 3.16Å; I378-N385 PolarHBondContact O-N 2.84Å; I378-I387 HydrophobicContact CD1-CG1 3.93Å; I378-I387 HydrophobicContact CG1-CG1 4.41Å; I378-F430 HydrophobicContact CD1-CB 4.03Å; I378-F430 HydrophobicContact CD1-CD1 3.43Å; I378-F430 VanDerWaalsContact CD1-CD1 3.43Å; I378-F430 HydrophobicContact CD1-CD2 3.12Å; I378-F430 HydrophobicContact CD1-CE1 3.47Å; I378-F430 VanDerWaalsContact CD1-CE1 3.47Å; I378-F430 HydrophobicContact CD1-CE2 3.14Å; I378-F430 HydrophobicContact CD1-CG 3.25Å; I378-F430 HydrophobicContact CD1-CZ 3.33Å; I378-F430 HydrophobicContact CG1-CD2 4.4Å; I378-F430 HydrophobicContact CG1-CE2 4.49Å; I378-V435 HydrophobicContact CB-CG1 4.06Å; I378-V435 HydrophobicContact CG2-CB 3.92Å; I378-V435 HydrophobicContact CG2-CG1 3.31Å; I378-V435 HydrophobicContact CG2-CG2 3.63Å
379	G	84.7	Confident	89.4	Confident	29 Å²	29	39.1 Å²	39.1	30%	0.299	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	136.4	-138.9	173.3	0	0	0	0	0	111.2	F331 A383	F331-G379 VanDerWaalsContact CZ-C 3.41Å; F331-G379 WeakPolarHBondContact CZ-O 3.4Å; G379-A383 CarbonylContact C-O 3.56Å; G379-A383 WeakPolarHBondContact CA-O 3.45Å
380	T	84.5	Confident	89.6	Confident	81 Å²	81	35.5 Å²	35.5	50%	0.497	20%	0.202	S	C	.	.			trans	-124	167.9	177.6	62.6	0	0	0	0	109.6	N382 A383 H384	T380-N382 PolarHBondContact O-N 2.66Å; T380-N382 VanDerWaalsContact O-N 3.15Å; T380-A383 PolarHBondContact N-O 3.35Å; T380-A383 CarbonylContact O-C 3.56Å; T380-A383 PolarHBondContact O-N 2.65Å; T380-A383 VanDerWaalsContact O-N 3.09Å; T380-A383 PolarHBondContact OG1-N 3.33Å; T380-A383 VanDerWaalsContact OG1-N 3.14Å; T380-A383 PolarHBondContact OG1-O 3.32Å; T380-H384 WeakPolarHBondContact O-CB 3.45Å; T380-H384 PolarHBondContact O-N 3.49Å; T380-H384 PolarHBondContact O-ND1 3.09Å
381	Q	81.9	Confident	89.5	Confident	122 Å²	122	32.3 Å²	32.3	57%	0.57	19%	0.189	S	C	*	.	S	Bend	trans	-52.1	-40.9	177.9	-172.9	173.6	35.8	0	0	112.8	F331 H384	F331-Q381 HydrophobicContact CB-CB 4.39Å; F331-Q381 HydrophobicContact CB-CG 4.33Å; F331-Q381 HydrophobicContact CD1-CB 4.08Å; F331-Q381 HydrophobicContact CG-CB 4.41Å; Q381-H384 PolarHBondContact O-CE1 2.83Å; Q381-H384 PolarHBondContact O-ND1 3.14Å
382	N	81.6	Confident	89.3	Confident	155 Å²	155	33.2 Å²	33.2	83%	0.829	19%	0.192	S	C	*	.	S	Bend	trans	-86.2	-23.6	-179	-61.2	-19.6	0	0	0	113.5	T380	T380-N382 PolarHBondContact O-N 2.66Å; T380-N382 VanDerWaalsContact O-N 3.15Å
383	A	83.4	Confident	88.9	Confident	61 Å²	61	33.2 Å²	33.2	50%	0.504	19%	0.192	S	C	.	.	S	Bend	trans	-139.6	84.2	-176.8	0	0	0	0	0	109.8	G379 T380	G379-A383 CarbonylContact C-O 3.56Å; G379-A383 WeakPolarHBondContact CA-O 3.45Å; T380-A383 PolarHBondContact N-O 3.35Å; T380-A383 CarbonylContact O-C 3.56Å; T380-A383 PolarHBondContact O-N 2.65Å; T380-A383 VanDerWaalsContact O-N 3.09Å; T380-A383 PolarHBondContact OG1-N 3.33Å; T380-A383 VanDerWaalsContact OG1-N 3.14Å; T380-A383 PolarHBondContact OG1-O 3.32Å
384	H	86.3	Confident	88.6	Confident	23 Å²	23	30.1 Å²	30.1	11%	0.106	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.7	176.6	53.4	-88.5	0	0	0	110.4	F331 H332 L377 I378 T380 Q381 L400	F331-H384 HydrophobicContact CD2-CB 3.6Å; F331-H384 AromaticContact CD2-CG 3.8Å; F331-H384 HydrophobicContact CE2-CB 3.47Å; F331-H384 VanDerWaalsContact CE2-CB 3.47Å; H332-H384 AromaticContact CD2-CE1 3.9Å; H332-H384 AromaticContact NE2-CE1 3.57Å; L377-H384 HydrophobicContact CG-CB 4.46Å; I378-H384 CarbonylContact O-C 3.59Å; I378-H384 WeakPolarHBondContact O-CA 3.17Å; T380-H384 WeakPolarHBondContact O-CB 3.45Å; T380-H384 PolarHBondContact O-N 3.49Å; T380-H384 PolarHBondContact O-ND1 3.09Å; Q381-H384 PolarHBondContact O-CE1 2.83Å; Q381-H384 PolarHBondContact O-ND1 3.14Å; H384-L400 WeakPolarHBondContact NE2-CB 3.2Å; H384-L400 WeakPolarHBondContact NE2-CD2 3.45Å
385	N	90.6	Very high	88.5	Confident	27 Å²	27	29.5 Å²	29.5	14%	0.144	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.7	174.6	-56.2	-62.2	0	0	0	108.8	I378 I387 W398 R407	I378-N385 PolarHBondContact N-O 3.16Å; I378-N385 PolarHBondContact O-N 2.84Å; N385-I387 HydrophobicContact CB-CD1 4.4Å; N385-W398 CarbonylContact C-O 3.56Å; N385-W398 WeakPolarHBondContact CA-O 3.48Å; N385-W398 WeakPolarHBondContact CB-O 3.4Å; N385-R407 PolarHBondContact OD1-NH1 3.06Å
386	I	92.5	Very high	88.3	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.9	169.4	-62.7	160.2	0	0	0	106.8	V337 I375 L377 A397 W398 L400 L403	V337-I386 HydrophobicContact CB-CD1 4.49Å; V337-I386 HydrophobicContact CG1-CD1 3.71Å; V337-I386 HydrophobicContact CG1-CG1 4.13Å; V337-I386 HydrophobicContact CG1-CG2 3.87Å; V337-I386 HydrophobicContact CG2-CD1 3.89Å; V337-I386 HydrophobicContact CG2-CG1 4.21Å; I375-I386 HydrophobicContact CD1-CG2 3.72Å; I375-I386 HydrophobicContact CG1-CG2 3.63Å; L377-I386 HydrophobicContact CD1-CB 4.32Å; L377-I386 HydrophobicContact CD1-CD1 4.49Å; L377-I386 HydrophobicContact CD1-CG1 3.37Å; I386-A397 CarbonylContact O-C 3.58Å; I386-A397 WeakPolarHBondContact O-CA 3.33Å; I386-W398 HydrophobicContact CB-CB 4.14Å; I386-W398 PolarHBondContact N-O 3.34Å; I386-W398 PolarHBondContact O-N 3.3Å; I386-L400 HydrophobicContact CD1-CD1 3.73Å; I386-L400 HydrophobicContact CG1-CD1 4.38Å; I386-L403 HydrophobicContact CD1-CD2 4.24Å
387	I	92.5	Very high	88.2	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.5	171.4	-48	-58.3	0	0	0	108.6	I375 T376 I378 N385 L395 A397 M428 F430	I375-I387 WeakPolarHBondContact CA-O 3.25Å; T376-I387 PolarHBondContact N-O 2.59Å; T376-I387 PolarHBondContact O-N 2.86Å; I378-I387 HydrophobicContact CD1-CG1 3.93Å; I378-I387 HydrophobicContact CG1-CG1 4.41Å; N385-I387 HydrophobicContact CB-CD1 4.4Å; I387-L395 HydrophobicContact CG2-CD1 3.36Å; I387-L395 HydrophobicContact CG2-CD2 4.43Å; I387-L395 HydrophobicContact CG2-CG 3.85Å; I387-A397 HydrophobicContact CD1-CB 3.56Å; I387-M428 HydrophobicContact CB-CE 4.49Å; I387-M428 HydrophobicContact CG2-CE 3.84Å; I387-F430 HydrophobicContact CB-CE2 4.16Å; I387-F430 HydrophobicContact CB-CZ 4.11Å; I387-F430 HydrophobicContact CG1-CE2 4.29Å; I387-F430 HydrophobicContact CG1-CZ 3.89Å; I387-F430 HydrophobicContact CG2-CE2 4.21Å; I387-F430 HydrophobicContact CG2-CZ 3.97Å
388	S	92.7	Very high	88.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.9	-179	49.1	0	0	0	0	109.7	I345 H368 C396 W398	I345-S388 WeakPolarHBondContact CD1-OG 3.48Å; H368-S388 WeakPolarHBondContact NE2-CB 3.28Å; H368-S388 PolarHBondContact NE2-OG 3.08Å; S388-C396 PolarHBondContact N-O 2.88Å; S388-C396 PolarHBondContact O-N 3.49Å; S388-C396 PolarHBondContact OG-O 3.15Å; S388-W398 VanDerWaalsContact OG-CD1 3.28Å; S388-W398 PolarHBondContact OG-NE1 2.91Å
389	L	92.4	Very high	88.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.7	177.5	-175.1	77.3	0	0	0	109.5	V372 F373 A374 L395 P425 M428 V440	V372-L389 CarbonylContact C-O 3.48Å; V372-L389 VanDerWaalsContact CA-O 3.22Å; V372-L389 WeakPolarHBondContact CA-O 3.47Å; F373-L389 PolarHBondContact N-O 2.87Å; A374-L389 HydrophobicContact CB-CB 4.34Å; A374-L389 HydrophobicContact CB-CD2 4.31Å; A374-L389 PolarHBondContact O-N 3.42Å; L389-L395 HydrophobicContact CD1-CD1 4.1Å; L389-P425 HydrophobicContact CD1-CB 3.97Å; L389-P425 HydrophobicContact CD1-CG 3.73Å; L389-P425 HydrophobicContact CD2-CB 3.8Å; L389-P425 HydrophobicContact CD2-CG 4.08Å; L389-P425 HydrophobicContact CG-CB 4.08Å; L389-P425 HydrophobicContact CG-CG 3.83Å; L389-M428 HydrophobicContact CB-CE 4.3Å; L389-M428 HydrophobicContact CB-SD 3.62Å; L389-M428 HydrophobicContact CD2-CB 3.86Å; L389-M428 HydrophobicContact CD2-CG 4.45Å; L389-V440 HydrophobicContact CD1-CG1 4.45Å; L389-V440 HydrophobicContact CD1-CG2 4.11Å
390	G	91.8	Very high	88.4	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	152.7	172.5	0	0	0	0	0	111.7	P371 D392 G393 S394 P425	P371-G390 CarbonylContact O-C 3.49Å; P371-G390 WeakPolarHBondContact O-CA 3.35Å; G390-D392 PolarHBondContact O-N 2.79Å; G390-D392 VanDerWaalsContact O-N 3.13Å; G390-G393 PolarHBondContact O-N 3.3Å; G390-S394 PolarHBondContact N-O 3.4Å; G390-P425 VanDerWaalsContact O-CG 3.29Å; G390-P425 WeakPolarHBondContact O-CG 3.42Å
391	S	89.9	Confident	88.4	Confident	16 Å²	16	31.4 Å²	31.4	11%	0.112	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15	177.7	74.3	0	0	0	0	114.2	H370 P371 G393 Y424	H370-S391 WeakPolarHBondContact CB-OG 3.3Å; P371-S391 PolarHBondContact O-N 2.85Å; S391-G393 VanDerWaalsContact C-N 3.26Å; S391-G393 PolarHBondContact O-N 2.83Å; S391-Y424 WeakPolarHBondContact O-CA 3.31Å; S391-Y424 WeakPolarHBondContact O-CD1 3.41Å
392	D	87.8	Confident	88.6	Confident	33 Å²	33	31.6 Å²	31.6	18%	0.176	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	8.9	177.8	61.7	1.4	0	0	0	114.1	H370 G390 S394 L423	H370-D392 HydrophobicContact CB-CB 4.43Å; H370-D392 IonicContact CE1-OD2 3.55Å; H370-D392 IonicContact CG-OD2 3.45Å; H370-D392 WeakPolarHBondContact ND1-CB 3.35Å; H370-D392 IonicContact ND1-OD2 3.74Å; H370-D392 PolarHBondContact ND1-OD2 3.46Å; G390-D392 PolarHBondContact O-N 2.79Å; G390-D392 VanDerWaalsContact O-N 3.13Å; D392-S394 VanDerWaalsContact C-N 3.25Å; D392-S394 PolarHBondContact O-N 2.78Å; D392-S394 WeakPolarHBondContact OD1-CB 3Å; D392-S394 PolarHBondContact OD1-N 2.89Å; D392-S394 PolarHBondContact OD1-OG 2.88Å; D392-L423 CarbonylContact C-O 3.45Å
393	G	85.7	Confident	88.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	81.4	3.1	-176.7	0	0	0	0	0	113.5	G390 S391 V412 L423	G390-G393 PolarHBondContact O-N 3.3Å; S391-G393 VanDerWaalsContact C-N 3.26Å; S391-G393 PolarHBondContact O-N 2.83Å; G393-V412 PolarHBondContact O-N 2.81Å; G393-L423 WeakPolarHBondContact CA-O 3.49Å; G393-L423 PolarHBondContact N-O 2.76Å
394	S	88.2	Confident	88.6	Confident	3 Å²	3	24.2 Å²	24.2	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.7	175	68.9	0	0	0	0	111.4	H368 G390 D392	H368-S394 PolarHBondContact CE1-O 2.81Å; H368-S394 PolarHBondContact CE1-OG 3.14Å; H368-S394 PolarHBondContact ND1-OG 3.04Å; H368-S394 VanDerWaalsContact ND1-OG 3.07Å; G390-S394 PolarHBondContact N-O 3.4Å; D392-S394 VanDerWaalsContact C-N 3.25Å; D392-S394 PolarHBondContact O-N 2.78Å; D392-S394 WeakPolarHBondContact OD1-CB 3Å; D392-S394 PolarHBondContact OD1-N 2.89Å; D392-S394 PolarHBondContact OD1-OG 2.88Å
395	L	88.9	Confident	88.5	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.4	174.4	-176.4	75.8	0	0	0	107.3	I387 L389 S410 V412 M428 Y438	I387-L395 HydrophobicContact CG2-CD1 3.36Å; I387-L395 HydrophobicContact CG2-CD2 4.43Å; I387-L395 HydrophobicContact CG2-CG 3.85Å; L389-L395 HydrophobicContact CD1-CD1 4.1Å; L395-S410 WeakPolarHBondContact CB-OG 3.39Å; L395-S410 PolarHBondContact N-O 2.61Å; L395-S410 PolarHBondContact O-N 2.83Å; L395-S410 PolarHBondContact O-OG 2.86Å; L395-V412 HydrophobicContact CB-CG2 4.3Å; L395-M428 HydrophobicContact CD1-CE 3.54Å; L395-Y438 HydrophobicContact CD2-CD1 4.1Å; L395-Y438 HydrophobicContact CD2-CE1 3.57Å; L395-Y438 HydrophobicContact CD2-CE2 4.46Å
396	C	89.3	Confident	88.4	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.3	-178.6	-64.5	0	0	0	0	110.8	H368 S388 W398 P406 E408	H368-C396 PolarHBondContact CE1-SG 3.12Å; H368-C396 WeakPolarHBondContact NE2-CB 3.38Å; S388-C396 PolarHBondContact N-O 2.88Å; S388-C396 PolarHBondContact O-N 3.49Å; S388-C396 PolarHBondContact OG-O 3.15Å; C396-W398 HydrophobicContact CB-CZ2 4.4Å; C396-W398 VanDerWaalsContact CB-NE1 3.28Å; C396-P406 HydrophobicContact CB-CB 4.21Å; C396-E408 WeakPolarHBondContact CA-O 3.38Å
397	A	90.4	Very high	88	Confident	2 Å²	2	38.4 Å²	38.4	2%	0.017	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.9	171.3	0	0	0	0	0	110.3	I386 I387 P406 R407 E408	I386-A397 CarbonylContact O-C 3.58Å; I386-A397 WeakPolarHBondContact O-CA 3.33Å; I387-A397 HydrophobicContact CD1-CB 3.56Å; A397-P406 CarbonylContact O-C 3.53Å; A397-R407 PolarHBondContact O-N 2.93Å; A397-E408 HydrophobicContact CB-CB 4.04Å; A397-E408 PolarHBondContact N-O 2.85Å; A397-E408 PolarHBondContact O-N 3.11Å
398	W	91	Very high	87.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.3	-176.3	-59.8	85.4	0	0	0	110.7	I345 A367 N385 I386 S388 C396 L403 P406	I345-W398 HydrophobicContact CD1-CD2 3.91Å; I345-W398 HydrophobicContact CD1-CG 3.86Å; I345-W398 HydrophobicContact CD1-CZ2 3.98Å; A367-W398 HydrophobicContact CB-CH2 3.5Å; A367-W398 VanDerWaalsContact CB-CH2 3.5Å; A367-W398 HydrophobicContact CB-CZ2 3.73Å; N385-W398 CarbonylContact C-O 3.56Å; N385-W398 WeakPolarHBondContact CA-O 3.48Å; N385-W398 WeakPolarHBondContact CB-O 3.4Å; I386-W398 HydrophobicContact CB-CB 4.14Å; I386-W398 PolarHBondContact N-O 3.34Å; I386-W398 PolarHBondContact O-N 3.3Å; S388-W398 VanDerWaalsContact OG-CD1 3.28Å; S388-W398 PolarHBondContact OG-NE1 2.91Å; C396-W398 HydrophobicContact CB-CZ2 4.4Å; C396-W398 VanDerWaalsContact CB-NE1 3.28Å; W398-L403 HydrophobicContact CB-CD2 4.06Å; W398-L403 HydrophobicContact CE3-CD2 4.35Å; W398-L403 WeakPolarHBondContact CZ3-O 3.33Å; W398-P406 HydrophobicContact CD2-CB 3.96Å; W398-P406 HydrophobicContact CE3-CB 4.09Å; W398-P406 HydrophobicContact CH2-CB 4.02Å; W398-P406 HydrophobicContact CH2-CG 4.03Å; W398-P406 HydrophobicContact CZ2-CB 3.86Å; W398-P406 HydrophobicContact CZ2-CG 4.13Å; W398-P406 HydrophobicContact CZ3-CB 4.12Å; W398-P406 HydrophobicContact CZ3-CG 4.36Å; W398-P406 VanDerWaalsContact CZ3-N 3.33Å
399	S	90	Very high	87.3	Confident	15 Å²	15	43.5 Å²	43.5	11%	0.105	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.8	169.3	73.1	0	0	0	0	110.2	E401 M402 L403	S399-E401 VanDerWaalsContact C-N 3.3Å; S399-E401 PolarHBondContact O-N 2.68Å; S399-M402 WeakPolarHBondContact OG-CA 3.29Å; S399-M402 WeakPolarHBondContact OG-CB 3.44Å; S399-M402 PolarHBondContact OG-N 3.27Å; S399-M402 VanDerWaalsContact OG-N 3.09Å; S399-M402 PolarHBondContact OG-O 3.39Å; S399-L403 VanDerWaalsContact O-CD2 3.26Å; S399-L403 WeakPolarHBondContact O-CD2 3.24Å
400	L	85.2	Confident	86.9	Confident	19 Å²	19	43.8 Å²	43.8	10%	0.099	22%	0.216	C	C	.	.	S	Bend	trans	-64	-36.9	179.1	-168.2	69.1	0	0	0	112.3	I335 V337 L347 H384 I386	I335-L400 HydrophobicContact CG2-CD1 3.99Å; I335-L400 HydrophobicContact CG2-CD2 4.47Å; V337-L400 HydrophobicContact CG2-CD1 4.28Å; L347-L400 HydrophobicContact CD1-CD1 3.41Å; L347-L400 VanDerWaalsContact CD1-CD1 3.41Å; L347-L400 HydrophobicContact CD1-CG 4.03Å; H384-L400 WeakPolarHBondContact NE2-CB 3.2Å; H384-L400 WeakPolarHBondContact NE2-CD2 3.45Å; I386-L400 HydrophobicContact CD1-CD1 3.73Å; I386-L400 HydrophobicContact CG1-CD1 4.38Å
401	E	83.9	Confident	86.6	Confident	178 Å²	178	47.1 Å²	47.1	83%	0.832	23%	0.231	S	C	*	.	S	Bend	trans	-81.7	-37.5	-174.7	-59.9	178.6	172.5	0	0	113	Q359 S399	Q359-E401 PolarHBondContact NE2-O 3.47Å; S399-E401 VanDerWaalsContact C-N 3.3Å; S399-E401 PolarHBondContact O-N 2.68Å
402	M	85.5	Confident	86.3	Confident	126 Å²	126	46.4 Å²	46.4	62%	0.621	23%	0.226	S	C	*	.			trans	-120.2	93.8	-177	-171.4	178	-68.3	0	0	110.2	S399 A404	S399-M402 WeakPolarHBondContact OG-CA 3.29Å; S399-M402 WeakPolarHBondContact OG-CB 3.44Å; S399-M402 PolarHBondContact OG-N 3.27Å; S399-M402 VanDerWaalsContact OG-N 3.09Å; S399-M402 PolarHBondContact OG-O 3.39Å; M402-A404 HydrophobicContact CG-CB 4.4Å
403	L	82.5	Confident	86	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.			trans	-91.1	8.9	175	-63.2	176.4	0	0	0	113.7	L347 Q359 S361 P362 I386 W398 S399	L347-L403 HydrophobicContact CB-CD1 3.98Å; L347-L403 HydrophobicContact CD1-CD1 4.21Å; Q359-L403 HydrophobicContact CB-CD1 4Å; Q359-L403 HydrophobicContact CG-CB 4.05Å; Q359-L403 HydrophobicContact CG-CD1 3.79Å; Q359-L403 HydrophobicContact CG-CG 4.27Å; Q359-L403 VanDerWaalsContact NE2-N 3.15Å; S361-L403 WeakPolarHBondContact CA-O 3.15Å; S361-L403 WeakPolarHBondContact CB-O 3.28Å; P362-L403 WeakPolarHBondContact CD-O 3.16Å; I386-L403 HydrophobicContact CD1-CD2 4.24Å; W398-L403 HydrophobicContact CB-CD2 4.06Å; W398-L403 HydrophobicContact CE3-CD2 4.35Å; W398-L403 WeakPolarHBondContact CZ3-O 3.33Å; S399-L403 VanDerWaalsContact O-CD2 3.26Å; S399-L403 WeakPolarHBondContact O-CD2 3.24Å
404	A	83.2	Confident	85.7	Confident	60 Å²	60	46 Å²	46	50%	0.496	22%	0.223	S	C	.	.	S	Bend	trans	-71	-35.5	-178.9	0	0	0	0	0	112.5	P362 M402	P362-A404 WeakPolarHBondContact CD-O 3.37Å; P362-A404 WeakPolarHBondContact CG-O 3.28Å; M402-A404 HydrophobicContact CG-CB 4.4Å
405	Q	85	Confident	85	Confident	151 Å²	151	50 Å²	50	71%	0.706	24%	0.242	S	C	*	.	S	Bend	trans	-139.9	141.8	178.1	-67	-178.2	-0.5	0	0	109.7
406	P	87.4	Confident	84	Confident	25 Å²	25	51.4 Å²	51.4	16%	0.162	25%	0.253	C	S	.	.			trans	-67.6	144.4	171.5	25.2	-26.6	0	0	0	109.9	W366 C396 A397 W398	W366-P406 WeakPolarHBondContact O-CG 3.38Å; C396-P406 HydrophobicContact CB-CB 4.21Å; A397-P406 CarbonylContact O-C 3.53Å; W398-P406 HydrophobicContact CD2-CB 3.96Å; W398-P406 HydrophobicContact CE3-CB 4.09Å; W398-P406 HydrophobicContact CH2-CB 4.02Å; W398-P406 HydrophobicContact CH2-CG 4.03Å; W398-P406 HydrophobicContact CZ2-CB 3.86Å; W398-P406 HydrophobicContact CZ2-CG 4.13Å; W398-P406 HydrophobicContact CZ3-CB 4.12Å; W398-P406 HydrophobicContact CZ3-CG 4.36Å; W398-P406 VanDerWaalsContact CZ3-N 3.33Å
407	R	85.3	Confident	83	Confident	174 Å²	174	58.1 Å²	58.1	66%	0.657	30%	0.299	S	S	*	.	S	Bend	trans	-70	-37.7	175.7	-76.2	-168.2	151.3	171.1	-5.3	112.1	N385 A397	N385-R407 PolarHBondContact OD1-NH1 3.06Å; A397-R407 PolarHBondContact O-N 2.93Å
408	E	85.1	Confident	81.8	Confident	30 Å²	30	61.3 Å²	61.3	14%	0.14	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	136.4	-173.5	-172.1	-174.1	176.3	0	0	107.3	C396 A397 R452 E462	C396-E408 WeakPolarHBondContact CA-O 3.38Å; A397-E408 HydrophobicContact CB-CB 4.04Å; A397-E408 PolarHBondContact N-O 2.85Å; A397-E408 PolarHBondContact O-N 3.11Å; E408-R452 IonicContact OE2-CZ 2.91Å; E408-R452 IonicContact OE2-NH1 3.37Å; E408-R452 PolarHBondContact OE2-NH1 3.03Å; E408-E462 WeakPolarHBondContact CG-OE2 3.23Å
409	K	85.7	Confident	80.9	Confident	79 Å²	79	62.7 Å²	62.7	34%	0.343	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	111.6	172.4	174.8	165.7	177.1	165.8	0	107.7	S365 W366 A367	S365-K409 PolarHBondContact O-NZ 3.5Å; W366-K409 WeakPolarHBondContact O-CD 3.44Å; A367-K409 PolarHBondContact O-NZ 3.31Å
410	S	84	Confident	80.2	Confident	6 Å²	6	65.8 Å²	65.8	4%	0.042	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148	175	57.9	0	0	0	0	109.6	L395 E462	L395-S410 WeakPolarHBondContact CB-OG 3.39Å; L395-S410 PolarHBondContact N-O 2.61Å; L395-S410 PolarHBondContact O-N 2.83Å; L395-S410 PolarHBondContact O-OG 2.86Å; S410-E462 WeakPolarHBondContact CA-O 3.44Å; S410-E462 WeakPolarHBondContact CB-O 3.49Å
411	K	84.6	Confident	80	Confident	71 Å²	71	69.9 Å²	69.9	31%	0.309	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.8	173.5	-163.7	-179.9	-172.4	-172	0	109.2	D422 E462 T463 S464	K411-D422 WeakPolarHBondContact CE-OD1 3.31Å; K411-D422 IonicContact NZ-OD1 3.77Å; K411-D422 PolarHBondContact NZ-OD1 3.04Å; K411-D422 IonicContact NZ-OD2 2.71Å; K411-D422 PolarHBondContact NZ-OD2 2.9Å; K411-E462 PolarHBondContact N-O 3.25Å; K411-T463 CarbonylContact O-C 3.53Å; K411-T463 WeakPolarHBondContact O-CA 3.37Å; K411-S464 PolarHBondContact O-N 3.16Å
412	V	83.7	Confident	79.9	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.9	175.6	-173	0	0	0	0	107.9	G393 L395 L423 Y438	G393-V412 PolarHBondContact O-N 2.81Å; L395-V412 HydrophobicContact CB-CG2 4.3Å; V412-L423 HydrophobicContact CG1-CD2 3.89Å; V412-Y438 HydrophobicContact CG2-CE2 4.35Å
413	C	81.2	Confident	79.9	Confident	5 Å²	5	60 Å²	60	3%	0.034	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.7	179.3	-68.9	0	0	0	0	111.4	L420 T463 S464 H466	C413-L420 HydrophobicContact CB-CD2 3.74Å; C413-T463 HydrophobicContact CB-CG2 3.8Å; C413-T463 WeakPolarHBondContact SG-CG2 3.43Å; C413-S464 PolarHBondContact N-O 3.25Å; C413-H466 PolarHBondContact O-N 3.2Å
414	E	80.4	Confident	80.2	Confident	19 Å²	19	66.3 Å²	66.3	9%	0.089	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.4	171.9	177.5	173.7	179.1	0	0	109.7	F421 N444 Y448 P468 K470	E414-F421 PolarHBondContact N-O 3.4Å; E414-F421 PolarHBondContact O-N 2.79Å; E414-F421 VanDerWaalsContact O-N 3.07Å; E414-N444 PolarHBondContact OE2-ND2 2.81Å; E414-Y448 HydrophobicContact CB-CE1 3.75Å; E414-Y448 HydrophobicContact CG-CE1 3.82Å; E414-Y448 PolarHBondContact OE2-OH 2.8Å; E414-P468 HydrophobicContact CG-CG 4.38Å; E414-K470 IonicContact OE1-NZ 3.22Å
415	M	73.5	Confident	80.6	Confident	87 Å²	87	63.5 Å²	63.5	43%	0.429	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.4	168.4	-176.1	68.5	-169.5	0	0	109.2	L420 R465 H466	M415-L420 HydrophobicContact SD-CG 4.49Å; M415-R465 HydrophobicContact CB-CB 4.36Å; M415-H466 PolarHBondContact N-O 2.92Å; M415-H466 VanDerWaalsContact N-O 3.09Å
416	S	68	Low	80.9	Confident	32 Å²	32	57.7 Å²	57.7	22%	0.224	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	166.8	170.6	75.4	0	0	0	0	110.8	G418 G419 F421	S416-G418 PolarHBondContact O-N 2.91Å; S416-G419 PolarHBondContact N-O 2.83Å; S416-G419 PolarHBondContact O-N 3.25Å; S416-F421 WeakPolarHBondContact OG-CD2 3.44Å; S416-F421 WeakPolarHBondContact OG-CE2 3.33Å
417	S	66.9	Low	81.2	Confident	141 Å²	141	57 Å²	57	99%	0.986	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-21.9	-177.1	-50.4	0	0	0	0	114.2
418	G	66.1	Low	81.5	Confident	69 Å²	69	49.4 Å²	49.4	71%	0.711	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-7.5	-179.8	0	0	0	0	0	115.5	S416	S416-G418 PolarHBondContact O-N 2.91Å
419	G	72.4	Confident	81.9	Confident	29 Å²	29	48.9 Å²	48.9	30%	0.299	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134.2	-166.8	-178.4	0	0	0	0	0	114.1	S416 F421	S416-G419 PolarHBondContact N-O 2.83Å; S416-G419 PolarHBondContact O-N 3.25Å; G419-F421 WeakPolarHBondContact O-CD2 3.34Å
420	L	74.5	Confident	82.1	Confident	81 Å²	81	46.4 Å²	46.4	42%	0.424	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.1	174.2	-80.9	153.5	0	0	0	109.2	C413 M415 T463 R465	C413-L420 HydrophobicContact CB-CD2 3.74Å; M415-L420 HydrophobicContact SD-CG 4.49Å; L420-T463 HydrophobicContact CD2-CG2 4.44Å; L420-R465 HydrophobicContact CD2-CG 3.98Å
421	F	80.7	Confident	82.4	Confident	105 Å²	105	46.7 Å²	46.7	46%	0.461	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.1	175.3	-67.4	-89.4	0	0	0	110	E414 S416 G419	E414-F421 PolarHBondContact N-O 3.4Å; E414-F421 PolarHBondContact O-N 2.79Å; E414-F421 VanDerWaalsContact O-N 3.07Å; S416-F421 WeakPolarHBondContact OG-CD2 3.44Å; S416-F421 WeakPolarHBondContact OG-CE2 3.33Å; G419-F421 WeakPolarHBondContact O-CD2 3.34Å
422	D	82.1	Confident	82.1	Confident	92 Å²	92	46.3 Å²	46.3	49%	0.492	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.3	173.2	-74.4	-12.9	0	0	0	109.6	K411	K411-D422 WeakPolarHBondContact CE-OD1 3.31Å; K411-D422 IonicContact NZ-OD1 3.77Å; K411-D422 PolarHBondContact NZ-OD1 3.04Å; K411-D422 IonicContact NZ-OD2 2.71Å; K411-D422 PolarHBondContact NZ-OD2 2.9Å
423	L	85.3	Confident	81.7	Confident	4 Å²	4	51 Å²	51	2%	0.021	30%	0.303	C	S	.	.			trans	-106.9	142.3	-176.6	-174.6	69	0	0	0	110.1	D392 G393 V412 P425 A442 Y448	D392-L423 CarbonylContact C-O 3.45Å; G393-L423 WeakPolarHBondContact CA-O 3.49Å; G393-L423 PolarHBondContact N-O 2.76Å; V412-L423 HydrophobicContact CG1-CD2 3.89Å; L423-P425 VanDerWaalsContact O-CD 3.31Å; L423-P425 WeakPolarHBondContact O-CD 3.19Å; L423-A442 HydrophobicContact CD1-CB 3.42Å; L423-A442 VanDerWaalsContact CD1-CB 3.42Å; L423-A442 HydrophobicContact CD2-CB 4.17Å; L423-A442 HydrophobicContact CG-CB 3.86Å; L423-Y448 HydrophobicContact CD1-CD2 4.14Å; L423-Y448 HydrophobicContact CD1-CE1 4.33Å; L423-Y448 HydrophobicContact CD1-CE2 3.32Å; L423-Y448 VanDerWaalsContact CD1-CZ 3.41Å; L423-Y448 VanDerWaalsContact CD1-OH 3.32Å; L423-Y448 WeakPolarHBondContact CD1-OH 3.09Å; L423-Y448 HydrophobicContact CD2-CD1 4.42Å; L423-Y448 HydrophobicContact CD2-CD2 3.43Å; L423-Y448 VanDerWaalsContact CD2-CD2 3.43Å; L423-Y448 HydrophobicContact CD2-CE1 4.46Å; L423-Y448 HydrophobicContact CD2-CE2 3.55Å; L423-Y448 HydrophobicContact CD2-CG 3.91Å; L423-Y448 HydrophobicContact CG-CD2 4.39Å; L423-Y448 HydrophobicContact CG-CE2 4.04Å
424	Y	90.3	Very high	81.5	Confident	133 Å²	133	53 Å²	53	52%	0.522	31%	0.314	S	S	.	.			trans	-108.8	95.4	171.7	-58.9	-83.5	0	0	0	109.3	S391 A442 E443	S391-Y424 WeakPolarHBondContact O-CA 3.31Å; S391-Y424 WeakPolarHBondContact O-CD1 3.41Å; Y424-A442 WeakPolarHBondContact O-CA 3.02Å; Y424-A442 WeakPolarHBondContact O-CB 3.35Å; Y424-E443 PolarHBondContact O-N 3.49Å
425	P	90.9	Very high	81.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	141.7	-177.5	34.5	-37.4	0	0	0	111.9	F373 L389 G390 L423 V440 G441	F373-P425 WeakPolarHBondContact CD2-O 3.25Å; L389-P425 HydrophobicContact CD1-CB 3.97Å; L389-P425 HydrophobicContact CD1-CG 3.73Å; L389-P425 HydrophobicContact CD2-CB 3.8Å; L389-P425 HydrophobicContact CD2-CG 4.08Å; L389-P425 HydrophobicContact CG-CB 4.08Å; L389-P425 HydrophobicContact CG-CG 3.83Å; G390-P425 VanDerWaalsContact O-CG 3.29Å; G390-P425 WeakPolarHBondContact O-CG 3.42Å; L423-P425 VanDerWaalsContact O-CD 3.31Å; L423-P425 WeakPolarHBondContact O-CD 3.19Å; P425-V440 HydrophobicContact CB-CG1 3.27Å; P425-V440 HydrophobicContact CG-CG1 4.46Å; P425-G441 CarbonylContact C-O 3.3Å; P425-G441 VanDerWaalsContact CA-O 3.24Å; P425-G441 WeakPolarHBondContact CA-O 3.27Å
426	T	92	Very high	81.9	Confident	29 Å²	29	53 Å²	53	18%	0.178	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-35.6	-178.8	50.9	0	0	0	0	112.5	F373 G441 E443 L476	F373-T426 VanDerWaalsContact CB-O 3.28Å; F373-T426 WeakPolarHBondContact CB-O 3.49Å; T426-G441 PolarHBondContact N-O 3.31Å; T426-G441 PolarHBondContact OG1-O 3.2Å; T426-E443 HydrophobicContact CG2-CB 4.33Å; T426-E443 HydrophobicContact CG2-CG 3.32Å; T426-L476 VanDerWaalsContact CB-O 3.28Å; T426-L476 WeakPolarHBondContact CB-O 3.18Å; T426-L476 PolarHBondContact OG1-O 2.93Å
427	C	91.9	Very high	82.8	Confident	12 Å²	12	53.3 Å²	53.3	8%	0.081	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.4	-175.3	59.7	0	0	0	0	110.8	V440 G441 A478 I479	C427-V440 WeakPolarHBondContact O-CA 3.34Å; C427-G441 PolarHBondContact N-O 3.36Å; C427-G441 PolarHBondContact O-N 2.81Å; C427-A478 VanDerWaalsContact SG-C 3.51Å; C427-I479 HydrophobicContact CB-CG2 4.03Å; C427-I479 VanDerWaalsContact SG-CG2 3.56Å
428	M	93.4	Very high	83.9	Confident	14 Å²	14	46.6 Å²	46.6	7%	0.069	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151	176.6	77.1	-170.7	-52.4	0	0	110.9	A374 I387 L389 L395 F430 A439 V440	A374-M428 HydrophobicContact CB-CB 4.29Å; A374-M428 HydrophobicContact CB-CG 3.45Å; A374-M428 VanDerWaalsContact CB-CG 3.45Å; A374-M428 HydrophobicContact CB-SD 3.7Å; I387-M428 HydrophobicContact CB-CE 4.49Å; I387-M428 HydrophobicContact CG2-CE 3.84Å; L389-M428 HydrophobicContact CB-CE 4.3Å; L389-M428 HydrophobicContact CB-SD 3.62Å; L389-M428 HydrophobicContact CD2-CB 3.86Å; L389-M428 HydrophobicContact CD2-CG 4.45Å; L395-M428 HydrophobicContact CD1-CE 3.54Å; M428-F430 HydrophobicContact CE-CD2 4.3Å; M428-F430 HydrophobicContact CE-CE2 3.42Å; M428-F430 VanDerWaalsContact CE-CE2 3.42Å; M428-F430 HydrophobicContact CE-CZ 4.11Å; M428-A439 CarbonylContact C-O 3.56Å; M428-A439 WeakPolarHBondContact CA-O 3.46Å; M428-V440 HydrophobicContact CB-CG2 4.05Å
429	S	92	Very high	85.1	Confident	19 Å²	19	43.3 Å²	43.3	13%	0.133	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	147.7	170.9	-167.3	0	0	0	0	110.2	Y438 A439 I479 T481	S429-Y438 CarbonylContact O-C 3.59Å; S429-Y438 WeakPolarHBondContact O-CA 3.27Å; S429-A439 PolarHBondContact N-O 3.41Å; S429-A439 PolarHBondContact O-N 3.31Å; S429-I479 WeakPolarHBondContact CB-O 3.31Å; S429-T481 PolarHBondContact OG-N 2.93Å; S429-T481 PolarHBondContact OG-OG1 3.49Å
430	F	91.3	Very high	86	Confident	27 Å²	27	41.9 Å²	41.9	12%	0.118	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.2	-177.1	-83.1	-98.2	0	0	0	110.9	I378 I387 M428 A432 V435 N437 Y438 T481	I378-F430 HydrophobicContact CD1-CB 4.03Å; I378-F430 HydrophobicContact CD1-CD1 3.43Å; I378-F430 VanDerWaalsContact CD1-CD1 3.43Å; I378-F430 HydrophobicContact CD1-CD2 3.12Å; I378-F430 HydrophobicContact CD1-CE1 3.47Å; I378-F430 VanDerWaalsContact CD1-CE1 3.47Å; I378-F430 HydrophobicContact CD1-CE2 3.14Å; I378-F430 HydrophobicContact CD1-CG 3.25Å; I378-F430 HydrophobicContact CD1-CZ 3.33Å; I378-F430 HydrophobicContact CG1-CD2 4.4Å; I378-F430 HydrophobicContact CG1-CE2 4.49Å; I387-F430 HydrophobicContact CB-CE2 4.16Å; I387-F430 HydrophobicContact CB-CZ 4.11Å; I387-F430 HydrophobicContact CG1-CE2 4.29Å; I387-F430 HydrophobicContact CG1-CZ 3.89Å; I387-F430 HydrophobicContact CG2-CE2 4.21Å; I387-F430 HydrophobicContact CG2-CZ 3.97Å; M428-F430 HydrophobicContact CE-CD2 4.3Å; M428-F430 HydrophobicContact CE-CE2 3.42Å; M428-F430 VanDerWaalsContact CE-CE2 3.42Å; M428-F430 HydrophobicContact CE-CZ 4.11Å; F430-A432 PolarHBondContact O-N 3.04Å; F430-V435 VanDerWaalsContact CD1-O 3.26Å; F430-V435 WeakPolarHBondContact CD1-O 3.29Å; F430-V435 VanDerWaalsContact CE1-O 3.27Å; F430-V435 WeakPolarHBondContact CE1-O 3.3Å; F430-N437 WeakPolarHBondContact CD1-O 3.32Å; F430-Y438 HydrophobicContact CE1-CD1 4.19Å; F430-Y438 HydrophobicContact CE1-CG 4.41Å; F430-Y438 HydrophobicContact CZ-CD1 4.43Å; F430-T481 PolarHBondContact O-OG1 2.8Å
431	F	88.7	Confident	86.9	Confident	11 Å²	11	38 Å²	38	5%	0.048	20%	0.202	C	C	.	.			trans	-67.8	135.1	178.1	-65.7	-81.4	0	0	0	110.6	N433 D434 N437 A439 T481 S491 F494 T508	F431-N433 VanDerWaalsContact C-N 3.34Å; F431-N433 PolarHBondContact O-N 2.87Å; F431-D434 CarbonylContact O-C 3.54Å; F431-D434 PolarHBondContact O-N 3.46Å; F431-N437 HydrophobicContact CB-CB 4.32Å; F431-N437 HydrophobicContact CD2-CB 3.54Å; F431-N437 WeakPolarHBondContact CD2-O 2.99Å; F431-N437 HydrophobicContact CE2-CB 4.3Å; F431-N437 HydrophobicContact CG-CB 4.31Å; F431-N437 PolarHBondContact N-O 2.91Å; F431-N437 VanDerWaalsContact N-O 3.08Å; F431-A439 HydrophobicContact CE2-CB 4.05Å; F431-A439 HydrophobicContact CZ-CB 4Å; F431-T481 HydrophobicContact CD1-CG2 3.63Å; F431-T481 HydrophobicContact CD2-CG2 4.31Å; F431-T481 HydrophobicContact CE1-CG2 3.65Å; F431-T481 HydrophobicContact CE2-CG2 4.33Å; F431-T481 HydrophobicContact CG-CG2 4Å; F431-T481 HydrophobicContact CZ-CG2 4.01Å; F431-S491 WeakPolarHBondContact CD1-O 3.02Å; F431-F494 HydrophobicContact CE1-CB 4.38Å; F431-F494 HydrophobicContact CE1-CD1 4.28Å; F431-F494 HydrophobicContact CZ-CD1 4.17Å; F431-T508 HydrophobicContact CE1-CG2 3.71Å; F431-T508 HydrophobicContact CE2-CG2 4.17Å; F431-T508 HydrophobicContact CZ-CG2 3.33Å
432	A	79.8	Confident	87.5	Confident	63 Å²	63	33 Å²	33	52%	0.521	18%	0.18	S	C	.	.	S	Bend	trans	-65.9	-31.8	-173.8	0	0	0	0	0	113.8	F430 S484	F430-A432 PolarHBondContact O-N 3.04Å; A432-S484 WeakPolarHBondContact CB-OG 2.94Å
433	N	75.4	Confident	87.9	Confident	100 Å²	100	33.2 Å²	33.2	54%	0.535	18%	0.178	S	C	.	.	S	Bend	trans	-76.7	-28.9	177.8	-78	-8.2	0	0	0	114.1	F431 S484 S491	F431-N433 VanDerWaalsContact C-N 3.34Å; F431-N433 PolarHBondContact O-N 2.87Å; N433-S484 PolarHBondContact N-OG 3.42Å; N433-S484 VanDerWaalsContact OD1-CB 3.3Å; N433-S484 WeakPolarHBondContact OD1-CB 3.46Å; N433-S484 PolarHBondContact OD1-OG 3.11Å; N433-S491 WeakPolarHBondContact CB-OG 3.16Å; N433-S491 WeakPolarHBondContact ND2-CB 3.48Å; N433-S491 PolarHBondContact ND2-OG 3.14Å
434	D	77	Confident	88.2	Confident	47 Å²	47	36.6 Å²	36.6	25%	0.251	20%	0.196	S	C	.	.			trans	-137.9	104.1	-174.1	-171.1	-3.1	0	0	0	110.6	F431 N436 N437	F431-D434 CarbonylContact O-C 3.54Å; F431-D434 PolarHBondContact O-N 3.46Å; D434-N436 PolarHBondContact O-N 2.85Å; D434-N436 VanDerWaalsContact OD1-CB 3.26Å; D434-N436 WeakPolarHBondContact OD1-CB 3.23Å; D434-N436 PolarHBondContact OD1-N 3.05Å; D434-N436 PolarHBondContact OD1-ND2 2.92Å; D434-N437 HydrophobicContact CB-CB 4.25Å; D434-N437 WeakPolarHBondContact CB-ND2 3.49Å; D434-N437 PolarHBondContact O-N 3.26Å; D434-N437 VanDerWaalsContact OD2-CG 3.25Å; D434-N437 PolarHBondContact OD2-ND2 2.94Å; D434-N437 PolarHBondContact OD2-OD1 3.34Å
435	V	78.8	Confident	88.1	Confident	57 Å²	57	30.3 Å²	30.3	35%	0.345	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-18.7	175.3	166.6	0	0	0	0	112.8	I378 F430	I378-V435 HydrophobicContact CB-CG1 4.06Å; I378-V435 HydrophobicContact CG2-CB 3.92Å; I378-V435 HydrophobicContact CG2-CG1 3.31Å; I378-V435 HydrophobicContact CG2-CG2 3.63Å; F430-V435 VanDerWaalsContact CD1-O 3.26Å; F430-V435 WeakPolarHBondContact CD1-O 3.29Å; F430-V435 VanDerWaalsContact CE1-O 3.27Å; F430-V435 WeakPolarHBondContact CE1-O 3.3Å
436	N	82.5	Confident	88.1	Confident	49 Å²	49	31 Å²	31	26%	0.262	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-26.2	177.5	-53.8	-54.5	0	0	0	112.3	D434 Q451 R452 H453	D434-N436 PolarHBondContact O-N 2.85Å; D434-N436 VanDerWaalsContact OD1-CB 3.26Å; D434-N436 WeakPolarHBondContact OD1-CB 3.23Å; D434-N436 PolarHBondContact OD1-N 3.05Å; D434-N436 PolarHBondContact OD1-ND2 2.92Å; N436-Q451 CarbonylContact O-C 3.57Å; N436-Q451 WeakPolarHBondContact O-CA 3.24Å; N436-R452 PolarHBondContact O-N 3.03Å; N436-H453 PolarHBondContact OD1-CE1 3.41Å; N436-H453 PolarHBondContact OD1-ND1 3.07Å
437	N	87	Confident	88.1	Confident	37 Å²	37	29.7 Å²	29.7	20%	0.198	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.1	-176.7	-59.3	-23.8	0	0	0	109.3	F430 F431 D434 G450 Q451	F430-N437 WeakPolarHBondContact CD1-O 3.32Å; F431-N437 HydrophobicContact CB-CB 4.32Å; F431-N437 HydrophobicContact CD2-CB 3.54Å; F431-N437 WeakPolarHBondContact CD2-O 2.99Å; F431-N437 HydrophobicContact CE2-CB 4.3Å; F431-N437 HydrophobicContact CG-CB 4.31Å; F431-N437 PolarHBondContact N-O 2.91Å; F431-N437 VanDerWaalsContact N-O 3.08Å; D434-N437 HydrophobicContact CB-CB 4.25Å; D434-N437 WeakPolarHBondContact CB-ND2 3.49Å; D434-N437 PolarHBondContact O-N 3.26Å; D434-N437 VanDerWaalsContact OD2-CG 3.25Å; D434-N437 PolarHBondContact OD2-ND2 2.94Å; D434-N437 PolarHBondContact OD2-OD1 3.34Å; N437-G450 CarbonylContact C-O 3.59Å; N437-G450 VanDerWaalsContact CA-O 3.28Å; N437-G450 WeakPolarHBondContact CA-O 3.36Å; N437-Q451 WeakPolarHBondContact OD1-CG 3.28Å; N437-Q451 PolarHBondContact OD1-NE2 2.85Å
438	Y	90.1	Very high	88	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	155.8	175.2	61.5	-97.5	0	0	0	110.3	L395 V412 S429 F430 V440 C449 G450 R452 H466	L395-Y438 HydrophobicContact CD2-CD1 4.1Å; L395-Y438 HydrophobicContact CD2-CE1 3.57Å; L395-Y438 HydrophobicContact CD2-CE2 4.46Å; V412-Y438 HydrophobicContact CG2-CE2 4.35Å; S429-Y438 CarbonylContact O-C 3.59Å; S429-Y438 WeakPolarHBondContact O-CA 3.27Å; F430-Y438 HydrophobicContact CE1-CD1 4.19Å; F430-Y438 HydrophobicContact CE1-CG 4.41Å; F430-Y438 HydrophobicContact CZ-CD1 4.43Å; Y438-V440 HydrophobicContact CD2-CB 4.5Å; Y438-V440 HydrophobicContact CD2-CG2 3.58Å; Y438-V440 HydrophobicContact CE2-CG2 3.8Å; Y438-C449 WeakPolarHBondContact O-CA 3.04Å; Y438-G450 PolarHBondContact N-O 2.8Å; Y438-G450 PolarHBondContact O-N 2.87Å; Y438-R452 HydrophobicContact CD1-CB 4.38Å; Y438-R452 HydrophobicContact CE1-CB 4.18Å; Y438-H466 PolarHBondContact OH-NE2 2.82Å
439	A	91.2	Very high	87.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.6	167.1	0	0	0	0	0	108.2	M428 S429 F431 Y448 I479 T481	M428-A439 CarbonylContact C-O 3.56Å; M428-A439 WeakPolarHBondContact CA-O 3.46Å; S429-A439 PolarHBondContact N-O 3.41Å; S429-A439 PolarHBondContact O-N 3.31Å; F431-A439 HydrophobicContact CE2-CB 4.05Å; F431-A439 HydrophobicContact CZ-CB 4Å; A439-Y448 CarbonylContact C-O 3.58Å; A439-Y448 WeakPolarHBondContact CA-O 3.4Å; A439-I479 HydrophobicContact CB-CD1 3.42Å; A439-I479 VanDerWaalsContact CB-CD1 3.42Å; A439-I479 HydrophobicContact CB-CG1 4.26Å; A439-T481 HydrophobicContact CB-CG2 4.26Å
440	V	92	Very high	87.3	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.7	-179.1	164.8	0	0	0	0	108.1	L389 P425 C427 M428 Y438 A447 Y448	L389-V440 HydrophobicContact CD1-CG1 4.45Å; L389-V440 HydrophobicContact CD1-CG2 4.11Å; P425-V440 HydrophobicContact CB-CG1 3.27Å; P425-V440 HydrophobicContact CG-CG1 4.46Å; C427-V440 WeakPolarHBondContact O-CA 3.34Å; M428-V440 HydrophobicContact CB-CG2 4.05Å; Y438-V440 HydrophobicContact CD2-CB 4.5Å; Y438-V440 HydrophobicContact CD2-CG2 3.58Å; Y438-V440 HydrophobicContact CE2-CG2 3.8Å; V440-A447 CarbonylContact O-C 3.59Å; V440-A447 WeakPolarHBondContact O-CA 3.26Å; V440-Y448 PolarHBondContact N-O 3.18Å; V440-Y448 PolarHBondContact O-N 3.02Å
441	G	92.7	Very high	86.8	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	148.9	169.3	0	0	0	0	0	110.7	P425 T426 C427 L476	P425-G441 CarbonylContact C-O 3.3Å; P425-G441 VanDerWaalsContact CA-O 3.24Å; P425-G441 WeakPolarHBondContact CA-O 3.27Å; T426-G441 PolarHBondContact N-O 3.31Å; T426-G441 PolarHBondContact OG1-O 3.2Å; C427-G441 PolarHBondContact N-O 3.36Å; C427-G441 PolarHBondContact O-N 2.81Å; G441-L476 VanDerWaalsContact CA-CD1 3.47Å
442	A	92.4	Very high	86	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	164.8	-178.4	0	0	0	0	0	113.9	L423 Y424 N444 G445 N446 Y448 L476	L423-A442 HydrophobicContact CD1-CB 3.42Å; L423-A442 VanDerWaalsContact CD1-CB 3.42Å; L423-A442 HydrophobicContact CD2-CB 4.17Å; L423-A442 HydrophobicContact CG-CB 3.86Å; Y424-A442 WeakPolarHBondContact O-CA 3.02Å; Y424-A442 WeakPolarHBondContact O-CB 3.35Å; A442-N444 WeakPolarHBondContact CB-OD1 3.36Å; A442-N444 PolarHBondContact O-N 3.14Å; A442-G445 PolarHBondContact O-N 3.29Å; A442-G445 VanDerWaalsContact O-N 3.11Å; A442-N446 PolarHBondContact N-O 3.1Å; A442-N446 VanDerWaalsContact N-O 3.16Å; A442-Y448 HydrophobicContact CB-CD2 4.26Å; A442-Y448 HydrophobicContact CB-CE2 3.68Å; A442-L476 PolarHBondContact O-N 3.45Å; A442-L476 VanDerWaalsContact O-N 3.16Å
443	E	91.6	Very high	85.5	Confident	96 Å²	96	35 Å²	35	45%	0.449	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.9	179.4	-66.8	-172.7	169.8	0	0	113.3	Y424 T426 G445 P475	Y424-E443 PolarHBondContact O-N 3.49Å; T426-E443 HydrophobicContact CG2-CB 4.33Å; T426-E443 HydrophobicContact CG2-CG 3.32Å; E443-G445 PolarHBondContact O-N 3.13Å; E443-P475 WeakPolarHBondContact O-CA 3.49Å; E443-P475 WeakPolarHBondContact O-CB 3.29Å; E443-P475 VanDerWaalsContact O-CG 3.29Å; E443-P475 WeakPolarHBondContact O-CG 3.37Å
444	N	90.4	Very high	84.6	Confident	75 Å²	75	32.9 Å²	32.9	40%	0.401	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	4.4	175.7	69.4	-9.5	0	0	0	113.9	E414 A442 N446 Y448	E414-N444 PolarHBondContact OE2-ND2 2.81Å; A442-N444 WeakPolarHBondContact CB-OD1 3.36Å; A442-N444 PolarHBondContact O-N 3.14Å; N444-N446 VanDerWaalsContact C-N 3.27Å; N444-N446 PolarHBondContact ND2-ND2 3.16Å; N444-N446 PolarHBondContact O-N 2.96Å; N444-N446 WeakPolarHBondContact OD1-CB 3.48Å; N444-N446 PolarHBondContact OD1-N 3.16Å; N444-Y448 PolarHBondContact ND2-OH 3.04Å; N444-Y448 PolarHBondContact OD1-OH 3.32Å
445	G	88.8	Confident	83.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	80.5	1.1	-179.3	0	0	0	0	0	114.8	A442 E443 H472 A474	A442-G445 PolarHBondContact O-N 3.29Å; A442-G445 VanDerWaalsContact O-N 3.11Å; E443-G445 PolarHBondContact O-N 3.13Å; G445-H472 WeakPolarHBondContact O-CB 3.38Å; G445-A474 WeakPolarHBondContact CA-O 3.35Å
446	N	91.5	Very high	82.3	Confident	15 Å²	15	42.8 Å²	42.8	8%	0.08	22%	0.216	C	C	.	.			trans	-94	144.7	177.6	-59.5	-29.7	0	0	0	110.5	A442 N444 Y448 P468 Y469 L476	A442-N446 PolarHBondContact N-O 3.1Å; A442-N446 VanDerWaalsContact N-O 3.16Å; N444-N446 VanDerWaalsContact C-N 3.27Å; N444-N446 PolarHBondContact ND2-ND2 3.16Å; N444-N446 PolarHBondContact O-N 2.96Å; N444-N446 WeakPolarHBondContact OD1-CB 3.48Å; N444-N446 PolarHBondContact OD1-N 3.16Å; N446-Y448 HydrophobicContact CB-CE2 3.75Å; N446-Y448 WeakPolarHBondContact CB-OH 3.43Å; N446-Y448 VanDerWaalsContact O-CE2 3.31Å; N446-Y448 WeakPolarHBondContact O-CE2 3.33Å; N446-P468 HydrophobicContact CB-CB 4.14Å; N446-Y469 WeakPolarHBondContact CA-O 3.22Å; N446-L476 WeakPolarHBondContact O-CD1 3.31Å
447	A	91	Very high	80.6	Confident	1 Å²	1	46 Å²	46	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	152.4	166.1	0	0	0	0	0	110.5	V440 Y469 L476 I479 F494 T496	V440-A447 CarbonylContact O-C 3.59Å; V440-A447 WeakPolarHBondContact O-CA 3.26Å; A447-Y469 PolarHBondContact N-O 3.15Å; A447-Y469 WeakPolarHBondContact O-CD2 3.49Å; A447-Y469 PolarHBondContact O-N 3.47Å; A447-L476 HydrophobicContact CB-CD1 3.94Å; A447-I479 HydrophobicContact CB-CD1 4.44Å; A447-F494 HydrophobicContact CB-CE2 3.9Å; A447-F494 HydrophobicContact CB-CZ 4.46Å; A447-T496 HydrophobicContact CB-CG2 4.1Å
448	Y	90.1	Very high	78.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	123.5	179.5	-56.9	-92.7	0	0	0	109	E414 L423 A439 V440 A442 N444 N446 H466 P468	E414-Y448 HydrophobicContact CB-CE1 3.75Å; E414-Y448 HydrophobicContact CG-CE1 3.82Å; E414-Y448 PolarHBondContact OE2-OH 2.8Å; L423-Y448 HydrophobicContact CD1-CD2 4.14Å; L423-Y448 HydrophobicContact CD1-CE1 4.33Å; L423-Y448 HydrophobicContact CD1-CE2 3.32Å; L423-Y448 VanDerWaalsContact CD1-CZ 3.41Å; L423-Y448 VanDerWaalsContact CD1-OH 3.32Å; L423-Y448 WeakPolarHBondContact CD1-OH 3.09Å; L423-Y448 HydrophobicContact CD2-CD1 4.42Å; L423-Y448 HydrophobicContact CD2-CD2 3.43Å; L423-Y448 VanDerWaalsContact CD2-CD2 3.43Å; L423-Y448 HydrophobicContact CD2-CE1 4.46Å; L423-Y448 HydrophobicContact CD2-CE2 3.55Å; L423-Y448 HydrophobicContact CD2-CG 3.91Å; L423-Y448 HydrophobicContact CG-CD2 4.39Å; L423-Y448 HydrophobicContact CG-CE2 4.04Å; A439-Y448 CarbonylContact C-O 3.58Å; A439-Y448 WeakPolarHBondContact CA-O 3.4Å; V440-Y448 PolarHBondContact N-O 3.18Å; V440-Y448 PolarHBondContact O-N 3.02Å; A442-Y448 HydrophobicContact CB-CD2 4.26Å; A442-Y448 HydrophobicContact CB-CE2 3.68Å; N444-Y448 PolarHBondContact ND2-OH 3.04Å; N444-Y448 PolarHBondContact OD1-OH 3.32Å; N446-Y448 HydrophobicContact CB-CE2 3.75Å; N446-Y448 WeakPolarHBondContact CB-OH 3.43Å; N446-Y448 VanDerWaalsContact O-CE2 3.31Å; N446-Y448 WeakPolarHBondContact O-CE2 3.33Å; Y448-H466 HydrophobicContact CD1-CB 3.93Å; Y448-H466 HydrophobicContact CG-CB 4.45Å; Y448-P468 HydrophobicContact CD1-CB 4.43Å; Y448-P468 HydrophobicContact CE1-CB 3.75Å
449	C	88.2	Confident	76.1	Confident	24 Å²	24	52.5 Å²	52.5	16%	0.162	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.9	173.6	-59.1	0	0	0	0	109.8	Y438 H466 Y469 F494 T508	Y438-C449 WeakPolarHBondContact O-CA 3.04Å; C449-H466 PolarHBondContact O-ND1 2.88Å; C449-Y469 HydrophobicContact CB-CE2 3.83Å; C449-Y469 VanDerWaalsContact SG-CE2 3.57Å; C449-F494 VanDerWaalsContact SG-CE1 3.52Å; C449-T508 HydrophobicContact CB-CG2 4.47Å
450	G	82.3	Confident	74	Confident	7 Å²	7	57.9 Å²	57.9	7%	0.072	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	166.2	-173.3	0	0	0	0	0	114.1	N437 Y438 H466	N437-G450 CarbonylContact C-O 3.59Å; N437-G450 VanDerWaalsContact CA-O 3.28Å; N437-G450 WeakPolarHBondContact CA-O 3.36Å; Y438-G450 PolarHBondContact N-O 2.8Å; Y438-G450 PolarHBondContact O-N 2.87Å; G450-H466 WeakPolarHBondContact CA-CE1 3.44Å; G450-H466 WeakPolarHBondContact CA-ND1 3.09Å
451	Q	81.6	Confident	71.9	Confident	99 Å²	99	64.8 Å²	64.8	46%	0.463	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.2	173	-41.3	-166.7	-83.2	0	0	107.9	N436 N437	N436-Q451 CarbonylContact O-C 3.57Å; N436-Q451 WeakPolarHBondContact O-CA 3.24Å; N437-Q451 WeakPolarHBondContact OD1-CG 3.28Å; N437-Q451 PolarHBondContact OD1-NE2 2.85Å
452	R	71.6	Confident	69.9	Low	26 Å²	26	68.3 Å²	68.3	10%	0.098	39%	0.387	C	S	.	.	S	Bend	trans	-62.9	-57.5	178.1	179.5	171.8	64.9	101.1	-5.3	110.6	E408 N436 Y438 S454	E408-R452 IonicContact OE2-CZ 2.91Å; E408-R452 IonicContact OE2-NH1 3.37Å; E408-R452 PolarHBondContact OE2-NH1 3.03Å; N436-R452 PolarHBondContact O-N 3.03Å; Y438-R452 HydrophobicContact CD1-CB 4.38Å; Y438-R452 HydrophobicContact CE1-CB 4.18Å; R452-S454 PolarHBondContact O-N 3.19Å
453	H	69.2	Low	68.2	Low	102 Å²	102	70.1 Å²	70.1	47%	0.472	40%	0.399	S	S	.	.	S	Bend	trans	-81.9	66.7	171.9	-54.2	118	0	0	0	110.1	N436	N436-H453 PolarHBondContact OD1-CE1 3.41Å; N436-H453 PolarHBondContact OD1-ND1 3.07Å
454	S	56.1	Low	66.7	Low	56 Å²	56	66.3 Å²	66.3	39%	0.392	38%	0.382	S	S	.	.			trans	-62.4	138.5	164.4	-173.1	0	0	0	0	108.3	R452 R456	R452-S454 PolarHBondContact O-N 3.19Å; S454-R456 PolarHBondContact O-N 3.19Å
455	S	55.3	Low	65.2	Low	92 Å²	92	70.1 Å²	70.1	64%	0.643	39%	0.391	S	S	*	.			trans	-48.2	116	177.1	56	0	0	0	0	109.2	T457	S455-T457 PolarHBondContact O-N 3.32Å
456	R	53.2	Low	64.3	Low	220 Å²	220	70.6 Å²	70.6	83%	0.83	39%	0.393	S	S	*	.			trans	-58.6	73.3	-171	-65.4	172	62.5	-169.9	-0	113	S454 G458	S454-R456 PolarHBondContact O-N 3.19Å; R456-G458 PolarHBondContact O-N 3.3Å
457	T	47	Very low	63.5	Low	116 Å²	116	73.8 Å²	73.8	71%	0.712	41%	0.413	S	S	*	.			trans	-80.6	65	176.9	48.8	0	0	0	0	110.2	S455 V459	S455-T457 PolarHBondContact O-N 3.32Å; T457-V459 PolarHBondContact O-N 3.09Å
458	G	40.7	Very low	63.1	Low	81 Å²	81	74.5 Å²	74.5	84%	0.835	42%	0.418	S	S	*	.	S	Bend	trans	59.4	0.3	152.2	0	0	0	0	0	120.2	R456	R456-G458 PolarHBondContact O-N 3.3Å
459	V	41.7	Very low	63	Low	93 Å²	93	75 Å²	75	56%	0.564	42%	0.42	S	S	*	.			trans	-89.1	121.5	172.8	-173.1	0	0	0	0	107.4	T457 E461	T457-V459 PolarHBondContact O-N 3.09Å; V459-E461 WeakPolarHBondContact CG1-O 3.4Å; V459-E461 CarbonylContact O-C 3.59Å; V459-E461 PolarHBondContact O-N 3.39Å
460	A	46.2	Very low	62.9	Low	112 Å²	112	79.6 Å²	79.6	93%	0.926	44%	0.437	S	S	*	.	S	Bend	trans	-60.8	-13.6	-176.6	0	0	0	0	0	113.8
461	E	47.5	Very low	62.9	Low	145 Å²	145	80.7 Å²	80.7	68%	0.678	45%	0.448	S	S	*	.	S	Bend	trans	-112.3	119	166.4	-67.3	-176.8	159.5	0	0	107.7	V459 T463	V459-E461 WeakPolarHBondContact CG1-O 3.4Å; V459-E461 CarbonylContact O-C 3.59Å; V459-E461 PolarHBondContact O-N 3.39Å; E461-T463 PolarHBondContact O-N 3Å
462	E	51.7	Low	63.4	Low	74 Å²	74	76.7 Å²	76.7	35%	0.346	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	65.3	177.4	-69.5	172.9	163.3	0	0	109.3	E408 S410 K411 S464	E408-E462 WeakPolarHBondContact CG-OE2 3.23Å; S410-E462 WeakPolarHBondContact CA-O 3.44Å; S410-E462 WeakPolarHBondContact CB-O 3.49Å; K411-E462 PolarHBondContact N-O 3.25Å; E462-S464 PolarHBondContact O-N 3.29Å; E462-S464 VanDerWaalsContact O-N 3.1Å
463	T	55.9	Low	64.3	Low	39 Å²	39	79 Å²	79	24%	0.239	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	94.5	173.2	-55.1	0	0	0	0	107.8	K411 C413 L420 E461 R465	K411-T463 CarbonylContact O-C 3.53Å; K411-T463 WeakPolarHBondContact O-CA 3.37Å; C413-T463 HydrophobicContact CB-CG2 3.8Å; C413-T463 WeakPolarHBondContact SG-CG2 3.43Å; L420-T463 HydrophobicContact CD2-CG2 4.44Å; E461-T463 PolarHBondContact O-N 3Å; T463-R465 PolarHBondContact O-N 2.87Å
464	S	60	Low	65.5	Low	15 Å²	15	75.2 Å²	75.2	11%	0.105	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.1	179.3	-156.6	0	0	0	0	108.9	K411 C413 E462 H466	K411-S464 PolarHBondContact O-N 3.16Å; C413-S464 PolarHBondContact N-O 3.25Å; E462-S464 PolarHBondContact O-N 3.29Å; E462-S464 VanDerWaalsContact O-N 3.1Å; S464-H466 WeakPolarHBondContact CB-NE2 3.36Å; S464-H466 PolarHBondContact O-CD2 3.11Å; S464-H466 PolarHBondContact OG-CE1 3.16Å; S464-H466 PolarHBondContact OG-NE2 3.03Å
465	R	59.6	Low	67.3	Low	155 Å²	155	74.8 Å²	74.8	59%	0.585	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.6	-171.9	-54	-171.7	-175.7	159.2	0.6	109.2	M415 L420 T463	M415-R465 HydrophobicContact CB-CB 4.36Å; L420-R465 HydrophobicContact CD2-CG 3.98Å; T463-R465 PolarHBondContact O-N 2.87Å
466	H	70.1	Confident	69.2	Low	11 Å²	11	70.5 Å²	70.5	5%	0.051	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.8	-175.8	-58.7	-63.5	0	0	0	112.1	C413 M415 Y438 Y448 C449 G450 S464	C413-H466 PolarHBondContact O-N 3.2Å; M415-H466 PolarHBondContact N-O 2.92Å; M415-H466 VanDerWaalsContact N-O 3.09Å; Y438-H466 PolarHBondContact OH-NE2 2.82Å; Y448-H466 HydrophobicContact CD1-CB 3.93Å; Y448-H466 HydrophobicContact CG-CB 4.45Å; C449-H466 PolarHBondContact O-ND1 2.88Å; G450-H466 WeakPolarHBondContact CA-CE1 3.44Å; G450-H466 WeakPolarHBondContact CA-ND1 3.09Å; S464-H466 WeakPolarHBondContact CB-NE2 3.36Å; S464-H466 PolarHBondContact O-CD2 3.11Å; S464-H466 PolarHBondContact OG-CE1 3.16Å; S464-H466 PolarHBondContact OG-NE2 3.03Å
467	V	75.6	Confident	71.2	Confident	82 Å²	82	61.4 Å²	61.4	50%	0.497	38%	0.383	S	S	.	.			trans	-79.5	126.9	170.6	-179.3	0	0	0	0	107.7	H511	V467-H511 VanDerWaalsContact CG1-CE1 3.44Å; V467-H511 WeakPolarHBondContact CG1-CE1 3.33Å
468	P	82.4	Confident	73.6	Confident	16 Å²	16	56.1 Å²	56.1	10%	0.104	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	137.4	-177.5	28.5	-36.2	0	0	0	111.8	E414 N446 Y448 K470	E414-P468 HydrophobicContact CG-CG 4.38Å; N446-P468 HydrophobicContact CB-CB 4.14Å; Y448-P468 HydrophobicContact CD1-CB 4.43Å; Y448-P468 HydrophobicContact CE1-CB 3.75Å; P468-K470 HydrophobicContact CB-CG 3.95Å; P468-K470 HydrophobicContact CG-CD 4.34Å; P468-K470 HydrophobicContact CG-CG 4.13Å; P468-K470 PolarHBondContact O-N 3.19Å
469	Y	87.1	Confident	76.2	Confident	11 Å²	11	52.8 Å²	52.8	4%	0.043	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	99.4	164	-66.1	-101.4	0	0	0	107.2	N446 A447 C449 F494 W506 S507 T508 E510 H511	N446-Y469 WeakPolarHBondContact CA-O 3.22Å; A447-Y469 PolarHBondContact N-O 3.15Å; A447-Y469 WeakPolarHBondContact O-CD2 3.49Å; A447-Y469 PolarHBondContact O-N 3.47Å; C449-Y469 HydrophobicContact CB-CE2 3.83Å; C449-Y469 VanDerWaalsContact SG-CE2 3.57Å; Y469-F494 HydrophobicContact CD1-CZ 4.07Å; Y469-F494 HydrophobicContact CD2-CZ 4.45Å; Y469-F494 HydrophobicContact CE1-CE1 4.38Å; Y469-F494 HydrophobicContact CE1-CZ 4.24Å; Y469-F494 HydrophobicContact CG-CZ 4.19Å; Y469-W506 AromaticContact CD1-CE3 3.93Å; Y469-W506 HydrophobicContact CD1-CE3 3.93Å; Y469-W506 HydrophobicContact CD1-CZ3 4.42Å; Y469-W506 HydrophobicContact CG-CE3 4.41Å; Y469-S507 WeakPolarHBondContact CE1-O 3.02Å; Y469-T508 VanDerWaalsContact OH-CA 3.31Å; Y469-T508 WeakPolarHBondContact OH-CA 3.49Å; Y469-T508 PolarHBondContact OH-O 3.15Å; Y469-E510 WeakPolarHBondContact CD1-O 3.09Å; Y469-E510 WeakPolarHBondContact CE1-O 3.44Å; Y469-H511 AromaticContact CD1-ND1 3.86Å; Y469-H511 AromaticContact CE1-ND1 3.71Å; Y469-H511 AromaticContact CE2-ND1 3.92Å; Y469-H511 AromaticContact CZ-CE1 3.84Å; Y469-H511 AromaticContact CZ-ND1 3.74Å
470	K	85.8	Confident	78.7	Confident	119 Å²	119	48.7 Å²	48.7	52%	0.517	29%	0.289	S	S	.	.			trans	-94.5	127.1	-173.6	-61.6	-165.9	172.7	-177.1	0	109.9	E414 P468	E414-K470 IonicContact OE1-NZ 3.22Å; P468-K470 HydrophobicContact CB-CG 3.95Å; P468-K470 HydrophobicContact CG-CD 4.34Å; P468-K470 HydrophobicContact CG-CG 4.13Å; P468-K470 PolarHBondContact O-N 3.19Å
471	G	83.1	Confident	80.9	Confident	30 Å²	30	44 Å²	44	31%	0.309	25%	0.248	S	C	.	.			trans	-169.9	-42.9	174.1	0	0	0	0	0	114.2	R504	G471-R504 PolarHBondContact O-NH1 2.91Å; G471-R504 PolarHBondContact O-NH2 3.29Å
472	H	92.1	Very high	83	Confident	15 Å²	15	37 Å²	37	7%	0.069	22%	0.216	C	C	.	.			trans	-72	148.2	-177.9	-70.7	-81.9	0	0	0	112.6	G445 L476 T496 S498 D500 T502 R504	G445-H472 WeakPolarHBondContact O-CB 3.38Å; H472-L476 HydrophobicContact CB-CD2 4.25Å; H472-L476 WeakPolarHBondContact CD2-CD2 3.38Å; H472-T496 PolarHBondContact NE2-OG1 2.92Å; H472-S498 VanDerWaalsContact ND1-CB 3.27Å; H472-S498 WeakPolarHBondContact ND1-CB 3.44Å; H472-D500 WeakPolarHBondContact CA-OD2 3.1Å; H472-D500 WeakPolarHBondContact CB-OD2 3.4Å; H472-D500 IonicContact CG-OD2 2.73Å; H472-D500 IonicContact ND1-OD1 2.93Å; H472-D500 PolarHBondContact ND1-OD1 2.79Å; H472-D500 IonicContact ND1-OD2 2.69Å; H472-D500 PolarHBondContact ND1-OD2 2.87Å; H472-T502 PolarHBondContact CE1-OG1 3.15Å; H472-T502 VanDerWaalsContact CE1-OG1 3.3Å; H472-T502 PolarHBondContact ND1-OG1 2.95Å; H472-T502 VanDerWaalsContact ND1-OG1 3.14Å; H472-R504 VanDerWaalsContact CE1-CD 3.48Å; H472-R504 WeakPolarHBondContact CE1-CD 3.4Å; H472-R504 VanDerWaalsContact CE1-CG 3.43Å; H472-R504 WeakPolarHBondContact CE1-CG 3.32Å; H472-R504 WeakPolarHBondContact NE2-CD 3.33Å
473	G	90.1	Very high	84.6	Confident	76 Å²	76	34.7 Å²	34.7	78%	0.784	21%	0.207	S	C	*	.	S	Bend	trans	-91	-5.2	177.8	0	0	0	0	0	114.1	D500	G473-D500 PolarHBondContact N-OD2 2.82Å
474	A	94.2	Very high	85.1	Confident	21 Å²	21	33.9 Å²	33.9	17%	0.174	20%	0.203	C	C	.	.	S	Bend	trans	-145.5	170.2	-175	0	0	0	0	0	111.2	G445 S498 L499 D500	G445-A474 WeakPolarHBondContact CA-O 3.35Å; A474-S498 PolarHBondContact O-OG 2.89Å; A474-S498 VanDerWaalsContact O-OG 3.12Å; A474-L499 HydrophobicContact CB-CB 3.95Å; A474-D500 HydrophobicContact CB-CB 3.75Å
475	P	94.8	Very high	85.2	Confident	48 Å²	48	37 Å²	37	31%	0.312	22%	0.223	S	C	.	.			trans	-53.9	140.4	178.4	-27.1	34.3	0	0	0	113.6	E443 S498 L499	E443-P475 WeakPolarHBondContact O-CA 3.49Å; E443-P475 WeakPolarHBondContact O-CB 3.29Å; E443-P475 VanDerWaalsContact O-CG 3.29Å; E443-P475 WeakPolarHBondContact O-CG 3.37Å; P475-S498 WeakPolarHBondContact O-CA 3.36Å; P475-S498 PolarHBondContact O-OG 2.93Å; P475-L499 HydrophobicContact CB-CD1 4.24Å; P475-L499 HydrophobicContact CG-CD1 4.24Å; P475-L499 PolarHBondContact O-N 2.67Å; P475-L499 VanDerWaalsContact O-N 3.15Å
476	L	95.5	Very high	85.3	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.3	171.7	-66.6	-178.1	0	0	0	110.3	T426 G441 A442 N446 A447 H472 T496 A497	T426-L476 VanDerWaalsContact CB-O 3.28Å; T426-L476 WeakPolarHBondContact CB-O 3.18Å; T426-L476 PolarHBondContact OG1-O 2.93Å; G441-L476 VanDerWaalsContact CA-CD1 3.47Å; A442-L476 PolarHBondContact O-N 3.45Å; A442-L476 VanDerWaalsContact O-N 3.16Å; N446-L476 WeakPolarHBondContact O-CD1 3.31Å; A447-L476 HydrophobicContact CB-CD1 3.94Å; H472-L476 HydrophobicContact CB-CD2 4.25Å; H472-L476 WeakPolarHBondContact CD2-CD2 3.38Å; L476-T496 HydrophobicContact CD1-CG2 4.19Å; L476-A497 CarbonylContact C-O 3.53Å; L476-A497 WeakPolarHBondContact CA-O 3.48Å
477	T	95.2	Very high	84.8	Confident	29 Å²	29	36.2 Å²	36.2	18%	0.178	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-39.8	179.4	51.1	0	0	0	0	111.5	A497 L499 V524 Y525	T477-A497 PolarHBondContact N-O 2.9Å; T477-A497 VanDerWaalsContact OG1-C 3.25Å; T477-A497 PolarHBondContact OG1-O 2.84Å; T477-L499 HydrophobicContact CG2-CD2 3.4Å; T477-L499 HydrophobicContact CG2-CG 3.61Å; T477-V524 WeakPolarHBondContact CB-O 3.26Å; T477-V524 WeakPolarHBondContact CG2-O 3.46Å; T477-V524 PolarHBondContact OG1-O 2.89Å; T477-Y525 WeakPolarHBondContact CB-O 3.25Å
478	A	95.4	Very high	84.2	Confident	4 Å²	4	37.3 Å²	37.3	3%	0.033	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.9	-179	0	0	0	0	0	112.4	C427 T496 A497 D526 V527	C427-A478 VanDerWaalsContact SG-C 3.51Å; A478-T496 WeakPolarHBondContact O-CA 3.45Å; A478-A497 HydrophobicContact CB-CB 4.33Å; A478-A497 PolarHBondContact O-N 2.89Å; A478-D526 HydrophobicContact CB-CB 4.43Å; A478-D526 WeakPolarHBondContact CB-OD1 2.89Å; A478-V527 HydrophobicContact CB-CG1 4.12Å
479	I	95.3	Very high	83.4	Confident	12 Å²	12	40.6 Å²	40.6	6%	0.062	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	132.1	176.2	-169.4	164	0	0	0	108.8	C427 S429 A439 A447 F494 L495 T496	C427-I479 HydrophobicContact CB-CG2 4.03Å; C427-I479 VanDerWaalsContact SG-CG2 3.56Å; S429-I479 WeakPolarHBondContact CB-O 3.31Å; A439-I479 HydrophobicContact CB-CD1 3.42Å; A439-I479 VanDerWaalsContact CB-CD1 3.42Å; A439-I479 HydrophobicContact CB-CG1 4.26Å; A447-I479 HydrophobicContact CB-CD1 4.44Å; I479-F494 HydrophobicContact CD1-CD2 3.93Å; I479-F494 HydrophobicContact CD1-CE2 4.3Å; I479-F494 HydrophobicContact CG1-CD2 4.2Å; I479-L495 CarbonylContact C-O 3.48Å; I479-L495 WeakPolarHBondContact CA-O 3.17Å; I479-L495 WeakPolarHBondContact CG1-O 3.44Å; I479-T496 HydrophobicContact CD1-CG2 3.95Å; I479-T496 HydrophobicContact CG1-CG2 3.95Å
480	S	94.8	Very high	83.2	Confident	7 Å²	7	40.7 Å²	40.7	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	117.5	177.6	-174	0	0	0	0	109.7	F494 L495 V527 W529	S480-F494 CarbonylContact O-C 3.49Å; S480-F494 WeakPolarHBondContact O-CA 3.41Å; S480-L495 PolarHBondContact N-O 2.83Å; S480-L495 PolarHBondContact O-N 2.91Å; S480-V527 WeakPolarHBondContact CB-O 3.45Å; S480-W529 VanDerWaalsContact O-CD1 3.27Å; S480-W529 PolarHBondContact OG-N 3.44Å
481	T	93.1	Very high	82.9	Confident	12 Å²	12	36.1 Å²	36.1	7%	0.074	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	148.8	172	55.6	0	0	0	0	110.7	S429 F430 F431 A439 F494	S429-T481 PolarHBondContact OG-N 2.93Å; S429-T481 PolarHBondContact OG-OG1 3.49Å; F430-T481 PolarHBondContact O-OG1 2.8Å; F431-T481 HydrophobicContact CD1-CG2 3.63Å; F431-T481 HydrophobicContact CD2-CG2 4.31Å; F431-T481 HydrophobicContact CE1-CG2 3.65Å; F431-T481 HydrophobicContact CE2-CG2 4.33Å; F431-T481 HydrophobicContact CG-CG2 4Å; F431-T481 HydrophobicContact CZ-CG2 4.01Å; A439-T481 HydrophobicContact CB-CG2 4.26Å; T481-F494 HydrophobicContact CG2-CB 4.19Å
482	H	92	Very high	83	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-60.9	131.2	176.5	-169.8	-90.3	0	0	0	111.4	S484 F490 L493 W529 P534	H482-S484 PolarHBondContact O-N 2.89Å; H482-F490 AromaticContact CE1-CD2 4Å; H482-F490 WeakPolarHBondContact ND1-CB 3.47Å; H482-L493 HydrophobicContact CB-CB 3.96Å; H482-L493 WeakPolarHBondContact CB-O 3.34Å; H482-L493 PolarHBondContact N-O 3.49Å; H482-W529 AromaticContact CD2-CD2 3.83Å; H482-W529 AromaticContact CD2-CE2 3.77Å; H482-W529 AromaticContact CD2-CE3 3.67Å; H482-W529 AromaticContact CD2-CH2 3.38Å; H482-W529 WeakPolarHBondContact CD2-CH2 3.38Å; H482-W529 AromaticContact CD2-CZ2 3.58Å; H482-W529 AromaticContact CD2-CZ3 3.48Å; H482-W529 VanDerWaalsContact CD2-CZ3 3.48Å; H482-W529 WeakPolarHBondContact CD2-CZ3 3.32Å; H482-W529 AromaticContact NE2-CH2 3.84Å; H482-W529 AromaticContact NE2-CZ3 3.67Å; H482-P534 PolarHBondContact NE2-O 3.04Å
483	P	84.8	Confident	83	Confident	25 Å²	25	35 Å²	35	16%	0.162	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-75.8	123.3	172.6	25.3	-21.4	0	0	0	108.3	P485 W529 S530	P483-P485 WeakPolarHBondContact O-CD 3.41Å; P483-W529 HydrophobicContact CG-CB 4.25Å; P483-S530 WeakPolarHBondContact CG-O 3.43Å
484	S	66.9	Low	83.2	Confident	21 Å²	21	31.4 Å²	31.4	15%	0.147	21%	0.212	C	C	.	.			trans	-103.5	50.8	-171	57.4	0	0	0	0	116.2	A432 N433 H482 G486	A432-S484 WeakPolarHBondContact CB-OG 2.94Å; N433-S484 PolarHBondContact N-OG 3.42Å; N433-S484 VanDerWaalsContact OD1-CB 3.3Å; N433-S484 WeakPolarHBondContact OD1-CB 3.46Å; N433-S484 PolarHBondContact OD1-OG 3.11Å; H482-S484 PolarHBondContact O-N 2.89Å; S484-G486 PolarHBondContact O-N 2.88Å
485	P	61.3	Low	83.3	Confident	82 Å²	82	30.4 Å²	30.4	53%	0.532	20%	0.204	S	C	.	.			trans	-89.7	88.1	162.8	34	-25.4	0	0	0	110.1	P483 W623	P483-P485 WeakPolarHBondContact O-CD 3.41Å; P485-W623 WeakPolarHBondContact O-CH2 3.31Å; P485-W623 VanDerWaalsContact O-CZ2 3.23Å; P485-W623 WeakPolarHBondContact O-CZ2 3.39Å
486	G	60.8	Low	83.4	Confident	42 Å²	42	28.1 Å²	28.1	43%	0.433	19%	0.189	S	C	.	.	S	Bend	trans	-167.6	164.1	176.9	0	0	0	0	0	114.5	S484 F488	S484-G486 PolarHBondContact O-N 2.88Å; G486-F488 VanDerWaalsContact C-N 3.27Å; G486-F488 PolarHBondContact O-N 3.02Å
487	A	60	Low	83.4	Confident	106 Å²	106	28 Å²	28	88%	0.876	19%	0.189	S	C	*	.	S	Bend	trans	-66.9	-29.9	176.7	0	0	0	0	0	112.5
488	F	63	Low	83.5	Confident	106 Å²	106	26.6 Å²	26.6	47%	0.465	18%	0.18	S	C	.	.	S	Bend	trans	-93.2	136.4	177.5	-64.2	-82	0	0	0	110.9	G486 F490 W623	G486-F488 VanDerWaalsContact C-N 3.27Å; G486-F488 PolarHBondContact O-N 3.02Å; F488-F490 HydrophobicContact CB-CD2 4.29Å; F488-F490 HydrophobicContact CB-CE2 3.83Å; F488-F490 HydrophobicContact CB-CZ 3.94Å; F488-F490 PolarHBondContact O-N 2.7Å; F488-W623 HydrophobicContact CD2-CB 4Å; F488-W623 HydrophobicContact CE2-CB 4.34Å
489	S	66.8	Low	83.5	Confident	84 Å²	84	29 Å²	29	59%	0.587	19%	0.193	S	C	*	.			trans	-83	80.3	-178.8	66.1	0	0	0	0	111.4	S491	S489-S491 PolarHBondContact O-N 3.14Å
490	F	81.5	Confident	83.5	Confident	13 Å²	13	30.1 Å²	30.1	6%	0.057	20%	0.198	C	C	.	.			trans	-82.7	5.8	170.4	-63	-54.7	0	0	0	113.7	H482 F488 S492 L493 P534 W623 F626 A627 L630	H482-F490 AromaticContact CE1-CD2 4Å; H482-F490 WeakPolarHBondContact ND1-CB 3.47Å; F488-F490 HydrophobicContact CB-CD2 4.29Å; F488-F490 HydrophobicContact CB-CE2 3.83Å; F488-F490 HydrophobicContact CB-CZ 3.94Å; F488-F490 PolarHBondContact O-N 2.7Å; F490-S492 PolarHBondContact O-N 2.93Å; F490-L493 HydrophobicContact CB-CD1 4.17Å; F490-L493 HydrophobicContact CD1-CD1 4.08Å; F490-L493 HydrophobicContact CG-CD1 4.45Å; F490-L493 WeakPolarHBondContact O-CB 3.37Å; F490-L493 PolarHBondContact O-N 2.87Å; F490-P534 HydrophobicContact CD2-CB 4.45Å; F490-P534 HydrophobicContact CE2-CB 4.45Å; F490-W623 AromaticContact CD2-CE3 3.79Å; F490-W623 HydrophobicContact CD2-CE3 3.79Å; F490-W623 AromaticContact CD2-CZ3 3.77Å; F490-W623 HydrophobicContact CD2-CZ3 3.77Å; F490-W623 AromaticContact CE2-CE3 3.57Å; F490-W623 HydrophobicContact CE2-CE3 3.57Å; F490-W623 HydrophobicContact CE2-CZ3 4.07Å; F490-F626 HydrophobicContact CD1-CD1 4.12Å; F490-F626 HydrophobicContact CD1-CE1 4.01Å; F490-F626 HydrophobicContact CD2-CD1 4.06Å; F490-F626 HydrophobicContact CD2-CE1 4.33Å; F490-F626 AromaticContact CE1-CD1 3.81Å; F490-F626 HydrophobicContact CE1-CD1 3.81Å; F490-F626 HydrophobicContact CE1-CE1 4.11Å; F490-F626 AromaticContact CE2-CD1 3.72Å; F490-F626 HydrophobicContact CE2-CD1 3.72Å; F490-F626 HydrophobicContact CE2-CE1 4.41Å; F490-F626 HydrophobicContact CG-CD1 4.26Å; F490-F626 HydrophobicContact CG-CE1 4.14Å; F490-F626 HydrophobicContact CZ-CB 4.5Å; F490-F626 AromaticContact CZ-CD1 3.6Å; F490-F626 HydrophobicContact CZ-CD1 3.6Å; F490-F626 HydrophobicContact CZ-CE1 4.32Å; F490-F626 HydrophobicContact CZ-CG 4.47Å; F490-A627 HydrophobicContact CE1-CB 4.22Å; F490-A627 HydrophobicContact CZ-CB 3.99Å; F490-L630 HydrophobicContact CE1-CD2 4.47Å
491	S	79.8	Confident	83.4	Confident	24 Å²	24	35.6 Å²	35.6	17%	0.168	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-10.9	-177.7	175.1	0	0	0	0	115.5	F431 N433 S489 L493	F431-S491 WeakPolarHBondContact CD1-O 3.02Å; N433-S491 WeakPolarHBondContact CB-OG 3.16Å; N433-S491 WeakPolarHBondContact ND2-CB 3.48Å; N433-S491 PolarHBondContact ND2-OG 3.14Å; S489-S491 PolarHBondContact O-N 3.14Å; S491-L493 VanDerWaalsContact C-N 3.32Å
492	S	86.4	Confident	83.5	Confident	19 Å²	19	35.9 Å²	35.9	13%	0.133	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.3	172.2	53	0	0	0	0	113.3	F490 S507 T508	F490-S492 PolarHBondContact O-N 2.93Å; S492-S507 CarbonylContact O-C 3.59Å; S492-S507 WeakPolarHBondContact O-CA 3.44Å; S492-T508 WeakPolarHBondContact CB-OG1 3.33Å; S492-T508 WeakPolarHBondContact O-CG2 3.48Å; S492-T508 PolarHBondContact O-N 3.21Å
493	L	92	Very high	83.7	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	142.7	-175.6	-61.5	177.5	0	0	0	111.9	H482 F490 S491 L505 W506 I514 F626 L630	H482-L493 HydrophobicContact CB-CB 3.96Å; H482-L493 WeakPolarHBondContact CB-O 3.34Å; H482-L493 PolarHBondContact N-O 3.49Å; F490-L493 HydrophobicContact CB-CD1 4.17Å; F490-L493 HydrophobicContact CD1-CD1 4.08Å; F490-L493 HydrophobicContact CG-CD1 4.45Å; F490-L493 WeakPolarHBondContact O-CB 3.37Å; F490-L493 PolarHBondContact O-N 2.87Å; S491-L493 VanDerWaalsContact C-N 3.32Å; L493-L505 HydrophobicContact CB-CD1 4.41Å; L493-L505 HydrophobicContact CD2-CD1 4.47Å; L493-W506 WeakPolarHBondContact CA-O 3.31Å; L493-I514 HydrophobicContact CD2-CD1 3.76Å; L493-F626 HydrophobicContact CD1-CE1 3.77Å; L493-F626 HydrophobicContact CD1-CZ 3.88Å; L493-L630 HydrophobicContact CD1-CD1 4.3Å; L493-L630 HydrophobicContact CD1-CD2 4.01Å; L493-L630 HydrophobicContact CD2-CD1 4.16Å; L493-L630 HydrophobicContact CD2-CD2 4.32Å
494	F	93.8	Very high	84.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	149.5	170.4	63.5	-84.5	0	0	0	110.7	F431 A447 C449 Y469 I479 S480 T481 T496 W506 T508	F431-F494 HydrophobicContact CE1-CB 4.38Å; F431-F494 HydrophobicContact CE1-CD1 4.28Å; F431-F494 HydrophobicContact CZ-CD1 4.17Å; A447-F494 HydrophobicContact CB-CE2 3.9Å; A447-F494 HydrophobicContact CB-CZ 4.46Å; C449-F494 VanDerWaalsContact SG-CE1 3.52Å; Y469-F494 HydrophobicContact CD1-CZ 4.07Å; Y469-F494 HydrophobicContact CD2-CZ 4.45Å; Y469-F494 HydrophobicContact CE1-CE1 4.38Å; Y469-F494 HydrophobicContact CE1-CZ 4.24Å; Y469-F494 HydrophobicContact CG-CZ 4.19Å; I479-F494 HydrophobicContact CD1-CD2 3.93Å; I479-F494 HydrophobicContact CD1-CE2 4.3Å; I479-F494 HydrophobicContact CG1-CD2 4.2Å; S480-F494 CarbonylContact O-C 3.49Å; S480-F494 WeakPolarHBondContact O-CA 3.41Å; T481-F494 HydrophobicContact CG2-CB 4.19Å; F494-T496 HydrophobicContact CD2-CG2 3.98Å; F494-T496 HydrophobicContact CE2-CG2 3.99Å; F494-W506 HydrophobicContact CD1-CB 3.91Å; F494-W506 HydrophobicContact CD2-CB 3.84Å; F494-W506 AromaticContact CD2-CD1 3.98Å; F494-W506 HydrophobicContact CD2-CG 4.15Å; F494-W506 HydrophobicContact CE1-CB 3.46Å; F494-W506 VanDerWaalsContact CE1-CB 3.46Å; F494-W506 HydrophobicContact CE1-CG 4.42Å; F494-W506 HydrophobicContact CE2-CB 3.39Å; F494-W506 AromaticContact CE2-CD1 3.61Å; F494-W506 HydrophobicContact CE2-CD2 4.4Å; F494-W506 AromaticContact CE2-CG 3.52Å; F494-W506 HydrophobicContact CE2-CG 3.52Å; F494-W506 HydrophobicContact CG-CB 4.09Å; F494-W506 HydrophobicContact CZ-CB 3.19Å; F494-W506 HydrophobicContact CZ-CD2 4.44Å; F494-W506 AromaticContact CZ-CG 3.7Å; F494-W506 HydrophobicContact CZ-CG 3.7Å; F494-W506 PolarHBondContact N-O 3.26Å; F494-W506 PolarHBondContact O-N 3.05Å; F494-T508 HydrophobicContact CD1-CG2 4.08Å; F494-T508 HydrophobicContact CE1-CG2 4.03Å
495	L	95.7	Very high	85.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	145.9	174.1	-72.5	169.8	0	0	0	110	I479 S480 V503 R504 L505 F517 V527 W529 F537	I479-L495 CarbonylContact C-O 3.48Å; I479-L495 WeakPolarHBondContact CA-O 3.17Å; I479-L495 WeakPolarHBondContact CG1-O 3.44Å; S480-L495 PolarHBondContact N-O 2.83Å; S480-L495 PolarHBondContact O-N 2.91Å; L495-V503 HydrophobicContact CD2-CG1 4.08Å; L495-R504 CarbonylContact C-O 3.56Å; L495-R504 VanDerWaalsContact CA-O 3.3Å; L495-R504 WeakPolarHBondContact CA-O 3.4Å; L495-L505 HydrophobicContact CD2-CB 3.98Å; L495-L505 HydrophobicContact CD2-CD1 3.85Å; L495-L505 HydrophobicContact CG-CD1 4.36Å; L495-F517 HydrophobicContact CD2-CE2 4.12Å; L495-V527 HydrophobicContact CB-CG1 4.31Å; L495-V527 HydrophobicContact CB-CG2 4.05Å; L495-V527 HydrophobicContact CD1-CG2 3.89Å; L495-W529 HydrophobicContact CD1-CD2 4.14Å; L495-W529 HydrophobicContact CD1-CG 4.15Å; L495-W529 HydrophobicContact CD1-CZ2 4.04Å; L495-W529 HydrophobicContact CG-CZ2 4.23Å; L495-F537 HydrophobicContact CD1-CB 3.55Å; L495-F537 HydrophobicContact CD1-CD1 3.59Å; L495-F537 HydrophobicContact CD1-CD2 3.75Å; L495-F537 HydrophobicContact CD1-CE1 4.16Å; L495-F537 HydrophobicContact CD1-CE2 4.3Å; L495-F537 HydrophobicContact CD1-CG 3.34Å; L495-F537 HydrophobicContact CD1-CZ 4.48Å
496	T	96.6	Very high	87	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.8	171	55.2	0	0	0	0	110.1	A447 H472 L476 A478 I479 F494 V503 R504 W506	A447-T496 HydrophobicContact CB-CG2 4.1Å; H472-T496 PolarHBondContact NE2-OG1 2.92Å; L476-T496 HydrophobicContact CD1-CG2 4.19Å; A478-T496 WeakPolarHBondContact O-CA 3.45Å; I479-T496 HydrophobicContact CD1-CG2 3.95Å; I479-T496 HydrophobicContact CG1-CG2 3.95Å; F494-T496 HydrophobicContact CD2-CG2 3.98Å; F494-T496 HydrophobicContact CE2-CG2 3.99Å; T496-V503 CarbonylContact O-C 3.37Å; T496-V503 VanDerWaalsContact O-CA 3.27Å; T496-V503 WeakPolarHBondContact O-CA 3.41Å; T496-R504 PolarHBondContact N-O 3.14Å; T496-R504 PolarHBondContact O-N 2.89Å; T496-W506 PolarHBondContact OG1-NE1 3.15Å
497	A	96.2	Very high	88.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	150.9	169.7	0	0	0	0	0	109.9	L476 T477 A478 V503 V524 V527	L476-A497 CarbonylContact C-O 3.53Å; L476-A497 WeakPolarHBondContact CA-O 3.48Å; T477-A497 PolarHBondContact N-O 2.9Å; T477-A497 VanDerWaalsContact OG1-C 3.25Å; T477-A497 PolarHBondContact OG1-O 2.84Å; A478-A497 HydrophobicContact CB-CB 4.33Å; A478-A497 PolarHBondContact O-N 2.89Å; A497-V503 HydrophobicContact CB-CG2 4.33Å; A497-V524 HydrophobicContact CB-CB 4.19Å; A497-V524 HydrophobicContact CB-CG1 3.68Å; A497-V527 HydrophobicContact CB-CB 3.94Å; A497-V527 HydrophobicContact CB-CG1 3.69Å
498	S	96.5	Very high	89.6	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	160.3	-172.5	177.3	0	0	0	0	112.1	H472 A474 P475 D500 W501 T502 V524	H472-S498 VanDerWaalsContact ND1-CB 3.27Å; H472-S498 WeakPolarHBondContact ND1-CB 3.44Å; A474-S498 PolarHBondContact O-OG 2.89Å; A474-S498 VanDerWaalsContact O-OG 3.12Å; P475-S498 WeakPolarHBondContact O-CA 3.36Å; P475-S498 PolarHBondContact O-OG 2.93Å; S498-D500 WeakPolarHBondContact CB-OD1 3.4Å; S498-D500 PolarHBondContact O-N 2.94Å; S498-D500 VanDerWaalsContact OG-CG 3.26Å; S498-D500 PolarHBondContact OG-N 2.71Å; S498-D500 PolarHBondContact OG-OD1 3.44Å; S498-D500 PolarHBondContact OG-OD2 3.1Å; S498-W501 PolarHBondContact O-N 3.09Å; S498-T502 PolarHBondContact N-O 3.09Å; S498-V524 PolarHBondContact O-N 3.02Å
499	L	95.6	Very high	90.8	Very high	55 Å²	55	30.8 Å²	30.8	29%	0.288	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-0.3	170.9	-60.5	-179.7	0	0	0	113.2	A474 P475 T477 W501 Y523	A474-L499 HydrophobicContact CB-CB 3.95Å; P475-L499 HydrophobicContact CB-CD1 4.24Å; P475-L499 HydrophobicContact CG-CD1 4.24Å; P475-L499 PolarHBondContact O-N 2.67Å; P475-L499 VanDerWaalsContact O-N 3.15Å; T477-L499 HydrophobicContact CG2-CD2 3.4Å; T477-L499 HydrophobicContact CG2-CG 3.61Å; L499-W501 PolarHBondContact O-N 3.11Å; L499-Y523 HydrophobicContact CB-CD1 4.14Å; L499-Y523 HydrophobicContact CD2-CD1 4.24Å; L499-Y523 HydrophobicContact CD2-CD2 4.32Å; L499-Y523 HydrophobicContact CD2-CG 3.87Å; L499-Y523 WeakPolarHBondContact O-CD1 3.19Å; L499-Y523 WeakPolarHBondContact O-CE1 3.41Å
500	D	94.9	Very high	91.6	Very high	34 Å²	34	30.2 Å²	30.2	18%	0.182	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	12.8	173.1	67.2	8.8	0	0	0	113.3	H472 G473 A474 S498 T502	H472-D500 WeakPolarHBondContact CA-OD2 3.1Å; H472-D500 WeakPolarHBondContact CB-OD2 3.4Å; H472-D500 IonicContact CG-OD2 2.73Å; H472-D500 IonicContact ND1-OD1 2.93Å; H472-D500 PolarHBondContact ND1-OD1 2.79Å; H472-D500 IonicContact ND1-OD2 2.69Å; H472-D500 PolarHBondContact ND1-OD2 2.87Å; G473-D500 PolarHBondContact N-OD2 2.82Å; A474-D500 HydrophobicContact CB-CB 3.75Å; S498-D500 WeakPolarHBondContact CB-OD1 3.4Å; S498-D500 PolarHBondContact O-N 2.94Å; S498-D500 VanDerWaalsContact OG-CG 3.26Å; S498-D500 PolarHBondContact OG-N 2.71Å; S498-D500 PolarHBondContact OG-OD1 3.44Å; S498-D500 PolarHBondContact OG-OD2 3.1Å; D500-T502 VanDerWaalsContact CG-OG1 3.3Å; D500-T502 PolarHBondContact O-N 3.25Å; D500-T502 WeakPolarHBondContact OD1-CB 3.27Å; D500-T502 PolarHBondContact OD1-N 2.84Å; D500-T502 PolarHBondContact OD1-OG1 3.27Å; D500-T502 PolarHBondContact OD2-OG1 2.73Å
501	W	94.1	Very high	91.7	Very high	123 Å²	123	33.8 Å²	33.8	47%	0.466	16%	0.155	S	C	.	.	S	Bend	trans	68.3	14.8	-180	-42.8	-31.6	0	0	0	113.6	S498 L499 Y520 Y523	S498-W501 PolarHBondContact O-N 3.09Å; L499-W501 PolarHBondContact O-N 3.11Å; W501-Y520 WeakPolarHBondContact O-CB 3.44Å; W501-Y523 AromaticContact CD1-CD1 3.51Å; W501-Y523 VanDerWaalsContact CD1-N 3.34Å; W501-Y523 AromaticContact NE1-CD1 3.17Å; W501-Y523 AromaticContact NE1-CE1 3.28Å; W501-Y523 VanDerWaalsContact NE1-CE1 3.28Å
502	T	94.9	Very high	92	Very high	17 Å²	17	38.2 Å²	38.2	10%	0.104	17%	0.171	C	C	.	.			trans	-117.1	145.1	179.7	70.8	0	0	0	0	112.3	H472 S498 D500 T516 F517 D518	H472-T502 PolarHBondContact CE1-OG1 3.15Å; H472-T502 VanDerWaalsContact CE1-OG1 3.3Å; H472-T502 PolarHBondContact ND1-OG1 2.95Å; H472-T502 VanDerWaalsContact ND1-OG1 3.14Å; S498-T502 PolarHBondContact N-O 3.09Å; D500-T502 VanDerWaalsContact CG-OG1 3.3Å; D500-T502 PolarHBondContact O-N 3.25Å; D500-T502 WeakPolarHBondContact OD1-CB 3.27Å; D500-T502 PolarHBondContact OD1-N 2.84Å; D500-T502 PolarHBondContact OD1-OG1 3.27Å; D500-T502 PolarHBondContact OD2-OG1 2.73Å; T502-T516 HydrophobicContact CG2-CG2 3.92Å; T502-F517 WeakPolarHBondContact CA-O 3.44Å; T502-D518 HydrophobicContact CG2-CB 4.31Å
503	V	96.1	Very high	92.2	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138	160.5	179.2	0	0	0	0	107.4	L495 T496 A497 F517 Y520 V524 V527 F537 A539	L495-V503 HydrophobicContact CD2-CG1 4.08Å; T496-V503 CarbonylContact O-C 3.37Å; T496-V503 VanDerWaalsContact O-CA 3.27Å; T496-V503 WeakPolarHBondContact O-CA 3.41Å; A497-V503 HydrophobicContact CB-CG2 4.33Å; V503-F517 HydrophobicContact CB-CB 4.2Å; V503-F517 HydrophobicContact CB-CD2 4.14Å; V503-F517 HydrophobicContact CG1-CD2 4.1Å; V503-F517 PolarHBondContact N-O 2.73Å; V503-F517 VanDerWaalsContact N-O 3.09Å; V503-F517 WeakPolarHBondContact O-CD2 3.3Å; V503-F517 PolarHBondContact O-N 3.07Å; V503-Y520 HydrophobicContact CG2-CE2 3.92Å; V503-V524 HydrophobicContact CG2-CB 4.5Å; V503-V524 HydrophobicContact CG2-CG1 3.81Å; V503-V524 HydrophobicContact CG2-CG2 4.38Å; V503-V527 HydrophobicContact CG1-CG2 4.04Å; V503-F537 HydrophobicContact CG1-CE2 4.14Å; V503-A539 HydrophobicContact CG2-CB 4.24Å
504	R	95.4	Very high	92.2	Very high	37 Å²	37	38.1 Å²	38.1	14%	0.14	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.4	178.7	-68	-175.1	-168.9	-158.8	9.5	112.1	G471 H472 L495 T496 W506 P513 H515 T516	G471-R504 PolarHBondContact O-NH1 2.91Å; G471-R504 PolarHBondContact O-NH2 3.29Å; H472-R504 VanDerWaalsContact CE1-CD 3.48Å; H472-R504 WeakPolarHBondContact CE1-CD 3.4Å; H472-R504 VanDerWaalsContact CE1-CG 3.43Å; H472-R504 WeakPolarHBondContact CE1-CG 3.32Å; H472-R504 WeakPolarHBondContact NE2-CD 3.33Å; L495-R504 CarbonylContact C-O 3.56Å; L495-R504 VanDerWaalsContact CA-O 3.3Å; L495-R504 WeakPolarHBondContact CA-O 3.4Å; T496-R504 PolarHBondContact N-O 3.14Å; T496-R504 PolarHBondContact O-N 2.89Å; R504-W506 HydrophobicContact CB-CZ2 4.17Å; R504-P513 HydrophobicContact CB-CB 4.37Å; R504-H515 WeakPolarHBondContact CA-O 3.38Å; R504-T516 HydrophobicContact CG-CG2 3.91Å
505	L	94.7	Very high	92.1	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.2	171.5	-179.1	64.4	0	0	0	109.7	L493 L495 P513 I514 H515 F517 W529 M551 L630	L493-L505 HydrophobicContact CB-CD1 4.41Å; L493-L505 HydrophobicContact CD2-CD1 4.47Å; L495-L505 HydrophobicContact CD2-CB 3.98Å; L495-L505 HydrophobicContact CD2-CD1 3.85Å; L495-L505 HydrophobicContact CG-CD1 4.36Å; L505-P513 CarbonylContact O-C 3.57Å; L505-P513 WeakPolarHBondContact O-CA 3.4Å; L505-I514 HydrophobicContact CD2-CB 4.39Å; L505-I514 HydrophobicContact CD2-CD1 4.49Å; L505-I514 HydrophobicContact CD2-CG2 4.39Å; L505-I514 HydrophobicContact CG-CB 4.36Å; L505-I514 HydrophobicContact CG-CD1 4.29Å; L505-I514 PolarHBondContact O-N 3.12Å; L505-H515 HydrophobicContact CB-CB 4.31Å; L505-H515 PolarHBondContact N-O 2.91Å; L505-F517 HydrophobicContact CB-CE2 4.21Å; L505-W529 HydrophobicContact CD1-CZ2 4.36Å; L505-M551 HydrophobicContact CD2-SD 4.06Å; L505-L630 HydrophobicContact CD2-CD1 4.02Å
506	W	92.8	Very high	92	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.8	-179.2	-58.1	89.1	0	0	0	111	Y469 L493 F494 T496 R504 P513	Y469-W506 AromaticContact CD1-CE3 3.93Å; Y469-W506 HydrophobicContact CD1-CE3 3.93Å; Y469-W506 HydrophobicContact CD1-CZ3 4.42Å; Y469-W506 HydrophobicContact CG-CE3 4.41Å; L493-W506 WeakPolarHBondContact CA-O 3.31Å; F494-W506 HydrophobicContact CD1-CB 3.91Å; F494-W506 HydrophobicContact CD2-CB 3.84Å; F494-W506 AromaticContact CD2-CD1 3.98Å; F494-W506 HydrophobicContact CD2-CG 4.15Å; F494-W506 HydrophobicContact CE1-CB 3.46Å; F494-W506 VanDerWaalsContact CE1-CB 3.46Å; F494-W506 HydrophobicContact CE1-CG 4.42Å; F494-W506 HydrophobicContact CE2-CB 3.39Å; F494-W506 AromaticContact CE2-CD1 3.61Å; F494-W506 HydrophobicContact CE2-CD2 4.4Å; F494-W506 AromaticContact CE2-CG 3.52Å; F494-W506 HydrophobicContact CE2-CG 3.52Å; F494-W506 HydrophobicContact CG-CB 4.09Å; F494-W506 HydrophobicContact CZ-CB 3.19Å; F494-W506 HydrophobicContact CZ-CD2 4.44Å; F494-W506 AromaticContact CZ-CG 3.7Å; F494-W506 HydrophobicContact CZ-CG 3.7Å; F494-W506 PolarHBondContact N-O 3.26Å; F494-W506 PolarHBondContact O-N 3.05Å; T496-W506 PolarHBondContact OG1-NE1 3.15Å; R504-W506 HydrophobicContact CB-CZ2 4.17Å; W506-P513 HydrophobicContact CD2-CB 4.17Å; W506-P513 VanDerWaalsContact CE3-CA 3.46Å; W506-P513 HydrophobicContact CE3-CB 4.04Å; W506-P513 HydrophobicContact CH2-CB 3.82Å; W506-P513 HydrophobicContact CH2-CG 4.05Å; W506-P513 HydrophobicContact CZ2-CB 3.94Å; W506-P513 HydrophobicContact CZ3-CB 3.88Å; W506-P513 VanDerWaalsContact CZ3-CD 3.43Å; W506-P513 HydrophobicContact CZ3-CG 4.22Å
507	S	90	Very high	91.9	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.6	169.8	165.7	0	0	0	0	108.4	Y469 S492 R509 E510 I514	Y469-S507 WeakPolarHBondContact CE1-O 3.02Å; S492-S507 CarbonylContact O-C 3.59Å; S492-S507 WeakPolarHBondContact O-CA 3.44Å; S507-R509 PolarHBondContact O-N 3.22Å; S507-R509 PolarHBondContact OG-N 2.98Å; S507-E510 PolarHBondContact O-N 2.93Å; S507-I514 VanDerWaalsContact CB-CD1 3.5Å
508	T	85.7	Confident	91.6	Very high	50 Å²	50	47.8 Å²	47.8	31%	0.307	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-7.5	175.9	62.3	0	0	0	0	114	F431 C449 Y469 S492 F494	F431-T508 HydrophobicContact CE1-CG2 3.71Å; F431-T508 HydrophobicContact CE2-CG2 4.17Å; F431-T508 HydrophobicContact CZ-CG2 3.33Å; C449-T508 HydrophobicContact CB-CG2 4.47Å; Y469-T508 VanDerWaalsContact OH-CA 3.31Å; Y469-T508 WeakPolarHBondContact OH-CA 3.49Å; Y469-T508 PolarHBondContact OH-O 3.15Å; S492-T508 WeakPolarHBondContact CB-OG1 3.33Å; S492-T508 WeakPolarHBondContact O-CG2 3.48Å; S492-T508 PolarHBondContact O-N 3.21Å; F494-T508 HydrophobicContact CD1-CG2 4.08Å; F494-T508 HydrophobicContact CE1-CG2 4.03Å
509	R	86.4	Confident	91.3	Very high	187 Å²	187	50.7 Å²	50.7	71%	0.706	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-21.3	177.5	-56.7	-177.9	-177.5	176.5	2.3	112.8	S507	S507-R509 PolarHBondContact O-N 3.22Å; S507-R509 PolarHBondContact OG-N 2.98Å
510	E	84.5	Confident	91	Very high	71 Å²	71	48.8 Å²	48.8	33%	0.332	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.8	-170.3	-72.9	158.8	-153.3	0	0	109.1	Y469 S507 K512 K634	Y469-E510 WeakPolarHBondContact CD1-O 3.09Å; Y469-E510 WeakPolarHBondContact CE1-O 3.44Å; S507-E510 PolarHBondContact O-N 2.93Å; E510-K512 PolarHBondContact O-N 3.29Å; E510-K634 IonicContact OE1-NZ 3.97Å; E510-K634 PolarHBondContact OE1-NZ 3.47Å; E510-K634 IonicContact OE2-NZ 3.75Å; E510-K634 PolarHBondContact OE2-NZ 3Å
511	H	83.2	Confident	90.7	Very high	88 Å²	88	51.5 Å²	51.5	41%	0.407	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	0.6	-178.6	-73.2	-68.6	0	0	0	114.2	V467 Y469	V467-H511 VanDerWaalsContact CG1-CE1 3.44Å; V467-H511 WeakPolarHBondContact CG1-CE1 3.33Å; Y469-H511 AromaticContact CD1-ND1 3.86Å; Y469-H511 AromaticContact CE1-ND1 3.71Å; Y469-H511 AromaticContact CE2-ND1 3.92Å; Y469-H511 AromaticContact CZ-CE1 3.84Å; Y469-H511 AromaticContact CZ-ND1 3.74Å
512	K	87.5	Confident	90.5	Very high	118 Å²	118	48 Å²	48	51%	0.513	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	149.9	171.5	-69.6	-174.4	179.3	-175.5	0	109.3	E510 E641	E510-K512 PolarHBondContact O-N 3.29Å; K512-E641 IonicContact NZ-OE1 2.77Å; K512-E641 PolarHBondContact NZ-OE1 3.4Å
513	P	90.6	Very high	90.5	Very high	15 Å²	15	52 Å²	52	10%	0.097	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	148	172.1	29.8	-34	0	0	0	108.7	R504 L505 W506	R504-P513 HydrophobicContact CB-CB 4.37Å; L505-P513 CarbonylContact O-C 3.57Å; L505-P513 WeakPolarHBondContact O-CA 3.4Å; W506-P513 HydrophobicContact CD2-CB 4.17Å; W506-P513 VanDerWaalsContact CE3-CA 3.46Å; W506-P513 HydrophobicContact CE3-CB 4.04Å; W506-P513 HydrophobicContact CH2-CB 3.82Å; W506-P513 HydrophobicContact CH2-CG 4.05Å; W506-P513 HydrophobicContact CZ2-CB 3.94Å; W506-P513 HydrophobicContact CZ3-CB 3.88Å; W506-P513 VanDerWaalsContact CZ3-CD 3.43Å; W506-P513 HydrophobicContact CZ3-CG 4.22Å
514	I	91.1	Very high	90.5	Very high	4 Å²	4	52 Å²	52	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-37	174.5	-61.3	165.5	0	0	0	110.5	L493 L505 S507 L630 L633 K634	L493-I514 HydrophobicContact CD2-CD1 3.76Å; L505-I514 HydrophobicContact CD2-CB 4.39Å; L505-I514 HydrophobicContact CD2-CD1 4.49Å; L505-I514 HydrophobicContact CD2-CG2 4.39Å; L505-I514 HydrophobicContact CG-CB 4.36Å; L505-I514 HydrophobicContact CG-CD1 4.29Å; L505-I514 PolarHBondContact O-N 3.12Å; S507-I514 VanDerWaalsContact CB-CD1 3.5Å; I514-L630 HydrophobicContact CD1-CD1 3.96Å; I514-L630 HydrophobicContact CG2-CD1 4.12Å; I514-L633 HydrophobicContact CG2-CB 4.17Å; I514-K634 HydrophobicContact CG2-CG 3.92Å
515	H	91.9	Very high	90.5	Very high	38 Å²	38	53.3 Å²	53.3	18%	0.176	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	148.4	-178.6	-169.4	-100.1	0	0	0	110	R504 L505 F517 A555 L633	R504-H515 WeakPolarHBondContact CA-O 3.38Å; L505-H515 HydrophobicContact CB-CB 4.31Å; L505-H515 PolarHBondContact N-O 2.91Å; H515-F517 AromaticContact CE1-CD1 3.77Å; H515-F517 AromaticContact CE1-CE1 3.77Å; H515-F517 AromaticContact ND1-CD1 3.59Å; H515-F517 AromaticContact ND1-CD2 3.97Å; H515-F517 AromaticContact ND1-CE1 3.35Å; H515-F517 VanDerWaalsContact ND1-CE1 3.35Å; H515-F517 WeakPolarHBondContact ND1-CE1 3.07Å; H515-F517 AromaticContact ND1-CE2 3.76Å; H515-F517 AromaticContact ND1-CG 3.88Å; H515-F517 AromaticContact ND1-CZ 3.43Å; H515-F517 WeakPolarHBondContact ND1-CZ 3.5Å; H515-A555 PolarHBondContact CE1-O 2.85Å; H515-L633 HydrophobicContact CB-CD1 4.19Å
516	T	92.9	Very high	90.6	Very high	47 Å²	47	54.3 Å²	54.3	29%	0.288	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.5	176.2	-57.6	0	0	0	0	108.5	T502 R504	T502-T516 HydrophobicContact CG2-CG2 3.92Å; R504-T516 HydrophobicContact CG-CG2 3.91Å
517	F	94.4	Very high	90.7	Very high	1 Å²	1	54.3 Å²	54.3	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	113.5	174.6	-53.2	-87	0	0	0	108.3	L495 T502 V503 L505 H515 F537 W549 M551 A555	L495-F517 HydrophobicContact CD2-CE2 4.12Å; T502-F517 WeakPolarHBondContact CA-O 3.44Å; V503-F517 HydrophobicContact CB-CB 4.2Å; V503-F517 HydrophobicContact CB-CD2 4.14Å; V503-F517 HydrophobicContact CG1-CD2 4.1Å; V503-F517 PolarHBondContact N-O 2.73Å; V503-F517 VanDerWaalsContact N-O 3.09Å; V503-F517 WeakPolarHBondContact O-CD2 3.3Å; V503-F517 PolarHBondContact O-N 3.07Å; L505-F517 HydrophobicContact CB-CE2 4.21Å; H515-F517 AromaticContact CE1-CD1 3.77Å; H515-F517 AromaticContact CE1-CE1 3.77Å; H515-F517 AromaticContact ND1-CD1 3.59Å; H515-F517 AromaticContact ND1-CD2 3.97Å; H515-F517 AromaticContact ND1-CE1 3.35Å; H515-F517 VanDerWaalsContact ND1-CE1 3.35Å; H515-F517 WeakPolarHBondContact ND1-CE1 3.07Å; H515-F517 AromaticContact ND1-CE2 3.76Å; H515-F517 AromaticContact ND1-CG 3.88Å; H515-F517 AromaticContact ND1-CZ 3.43Å; H515-F517 WeakPolarHBondContact ND1-CZ 3.5Å; F517-F537 HydrophobicContact CD1-CZ 4.18Å; F517-F537 AromaticContact CD2-CZ 3.93Å; F517-F537 HydrophobicContact CD2-CZ 3.93Å; F517-F537 HydrophobicContact CE1-CE1 4.22Å; F517-F537 HydrophobicContact CE1-CZ 4.05Å; F517-F537 HydrophobicContact CE2-CE1 4.05Å; F517-F537 AromaticContact CE2-CZ 3.79Å; F517-F537 HydrophobicContact CE2-CZ 3.79Å; F517-F537 HydrophobicContact CG-CZ 4.14Å; F517-F537 AromaticContact CZ-CE1 3.84Å; F517-F537 HydrophobicContact CZ-CE1 3.84Å; F517-F537 AromaticContact CZ-CZ 3.87Å; F517-F537 HydrophobicContact CZ-CZ 3.87Å; F517-W549 HydrophobicContact CB-CH2 4.12Å; F517-W549 HydrophobicContact CB-CZ2 4.26Å; F517-W549 HydrophobicContact CB-CZ3 4.44Å; F517-W549 HydrophobicContact CD1-CD2 4.24Å; F517-W549 AromaticContact CD1-CE3 3.66Å; F517-W549 HydrophobicContact CD1-CE3 3.66Å; F517-W549 HydrophobicContact CD1-CH2 4.14Å; F517-W549 AromaticContact CD1-CZ3 3.6Å; F517-W549 HydrophobicContact CD1-CZ3 3.6Å; F517-W549 HydrophobicContact CE1-CE3 4.1Å; F517-W549 HydrophobicContact CE1-CZ3 4.36Å; F517-W549 HydrophobicContact CG-CZ3 4.45Å; F517-M551 HydrophobicContact CE1-CG 4.16Å; F517-M551 HydrophobicContact CZ-CG 3.92Å; F517-M551 HydrophobicContact CZ-SD 3.72Å; F517-A555 WeakPolarHBondContact CD1-O 3.32Å; F517-A555 VanDerWaalsContact CE1-O 3.29Å; F517-A555 WeakPolarHBondContact CE1-O 3.35Å
518	D	90.8	Very high	91	Very high	117 Å²	117	54.5 Å²	54.5	63%	0.626	27%	0.265	S	S	*	.			trans	-123.4	22.6	-169.7	66.3	-20.2	0	0	0	114.6	T502 Y520	T502-D518 HydrophobicContact CG2-CB 4.31Å; D518-Y520 PolarHBondContact O-N 3.02Å
519	D	90.3	Very high	91.5	Very high	61 Å²	61	52.4 Å²	52.4	33%	0.326	25%	0.252	S	S	.	.			trans	-74.8	-2.1	177.6	-173.3	59.8	0	0	0	114.4	W549 P558 R561	D519-W549 HydrophobicContact CB-CH2 3.91Å; D519-W549 HydrophobicContact CB-CZ2 4.19Å; D519-P558 VanDerWaalsContact OD2-CD 3.28Å; D519-P558 WeakPolarHBondContact OD2-CD 3.45Å; D519-R561 IonicContact OD2-CZ 3.86Å; D519-R561 IonicContact OD2-NH1 2.6Å; D519-R561 PolarHBondContact OD2-NH1 2.95Å; D519-R561 IonicContact OD2-NH2 3.95Å; D519-R561 PolarHBondContact OD2-NH2 2.69Å
520	Y	89.6	Confident	91.8	Very high	14 Å²	14	43.5 Å²	43.5	6%	0.055	22%	0.218	C	C	.	.			trans	-83.8	144.5	-175.4	-62.3	-83.3	0	0	0	113.3	W501 V503 D518 V524 A539 D541 D547 W549	W501-Y520 WeakPolarHBondContact O-CB 3.44Å; V503-Y520 HydrophobicContact CG2-CE2 3.92Å; D518-Y520 PolarHBondContact O-N 3.02Å; Y520-V524 HydrophobicContact CD1-CG2 3.9Å; Y520-V524 HydrophobicContact CD2-CG2 3.66Å; Y520-V524 HydrophobicContact CE1-CG2 4.26Å; Y520-V524 HydrophobicContact CE2-CG2 4.07Å; Y520-V524 HydrophobicContact CG-CG2 3.58Å; Y520-A539 WeakPolarHBondContact OH-CB 3.47Å; Y520-D541 HydrophobicContact CD1-CB 3.93Å; Y520-D541 HydrophobicContact CE1-CB 4.31Å; Y520-D547 HydrophobicContact CE1-CB 4.41Å; Y520-D547 WeakPolarHBondContact CE1-OD2 3.43Å; Y520-D547 PolarHBondContact OH-OD2 3.2Å; Y520-W549 HydrophobicContact CE2-CZ2 4.06Å; Y520-W549 AromaticContact CZ-NE1 3.84Å; Y520-W549 PolarHBondContact OH-NE1 3.32Å
521	S	87.3	Confident	92.1	Very high	92 Å²	92	42 Å²	42	64%	0.643	21%	0.214	S	C	*	.	S	Bend	trans	-102.3	-6.1	176.5	62.2	0	0	0	0	114.4
522	D	91.3	Very high	92.4	Very high	48 Å²	48	40.1 Å²	40.1	26%	0.257	21%	0.209	S	C	.	.	S	Bend	trans	-149.8	179.2	-177.1	-158.4	-0.5	0	0	0	110.8	V524 T543	D522-V524 PolarHBondContact O-N 3.45Å; D522-T543 HydrophobicContact CB-CG2 3.39Å
523	Y	94	Very high	92.5	Very high	102 Å²	102	34.6 Å²	34.6	40%	0.4	19%	0.185	S	C	.	.			trans	-55.6	131.2	-178.2	-57.3	-34.7	0	0	0	112.6	L499 W501 D541 G542	L499-Y523 HydrophobicContact CB-CD1 4.14Å; L499-Y523 HydrophobicContact CD2-CD1 4.24Å; L499-Y523 HydrophobicContact CD2-CD2 4.32Å; L499-Y523 HydrophobicContact CD2-CG 3.87Å; L499-Y523 WeakPolarHBondContact O-CD1 3.19Å; L499-Y523 WeakPolarHBondContact O-CE1 3.41Å; W501-Y523 AromaticContact CD1-CD1 3.51Å; W501-Y523 VanDerWaalsContact CD1-N 3.34Å; W501-Y523 AromaticContact NE1-CD1 3.17Å; W501-Y523 AromaticContact NE1-CE1 3.28Å; W501-Y523 VanDerWaalsContact NE1-CE1 3.28Å; Y523-D541 CarbonylContact O-C 3.52Å; Y523-D541 VanDerWaalsContact O-CA 3.32Å; Y523-D541 WeakPolarHBondContact O-CA 3.27Å; Y523-G542 PolarHBondContact O-N 3.32Å
524	V	95.9	Very high	92.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114.1	171.4	-171	0	0	0	0	108	T477 A497 S498 V503 Y520 D522 A539 V540	T477-V524 WeakPolarHBondContact CB-O 3.26Å; T477-V524 WeakPolarHBondContact CG2-O 3.46Å; T477-V524 PolarHBondContact OG1-O 2.89Å; A497-V524 HydrophobicContact CB-CB 4.19Å; A497-V524 HydrophobicContact CB-CG1 3.68Å; S498-V524 PolarHBondContact O-N 3.02Å; V503-V524 HydrophobicContact CG2-CB 4.5Å; V503-V524 HydrophobicContact CG2-CG1 3.81Å; V503-V524 HydrophobicContact CG2-CG2 4.38Å; Y520-V524 HydrophobicContact CD1-CG2 3.9Å; Y520-V524 HydrophobicContact CD2-CG2 3.66Å; Y520-V524 HydrophobicContact CE1-CG2 4.26Å; Y520-V524 HydrophobicContact CE2-CG2 4.07Å; Y520-V524 HydrophobicContact CG-CG2 3.58Å; D522-V524 PolarHBondContact O-N 3.45Å; V524-A539 HydrophobicContact CG1-CB 4.39Å; V524-V540 CarbonylContact C-O 3.45Å; V524-V540 WeakPolarHBondContact CA-O 3.2Å; V524-V540 WeakPolarHBondContact CG1-O 3.29Å
525	Y	95.5	Very high	92.5	Very high	65 Å²	65	33.7 Å²	33.7	26%	0.255	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-31.6	-173.4	-75.2	-73.3	0	0	0	113.8	T477 V540 G542 L585 N586	T477-Y525 WeakPolarHBondContact CB-O 3.25Å; Y525-V540 PolarHBondContact N-O 3.13Å; Y525-G542 VanDerWaalsContact CE2-CA 3.48Å; Y525-L585 WeakPolarHBondContact CB-O 3.4Å; Y525-L585 WeakPolarHBondContact CD2-O 3.17Å; Y525-N586 WeakPolarHBondContact CB-O 3.46Å
526	D	96.3	Very high	92.6	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.107	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152	-179.3	-155.3	4.6	0	0	0	112.1	A478 A539 V540 K587 C588	A478-D526 HydrophobicContact CB-CB 4.43Å; A478-D526 WeakPolarHBondContact CB-OD1 2.89Å; D526-A539 WeakPolarHBondContact O-CA 3.18Å; D526-V540 PolarHBondContact O-N 3.23Å; D526-K587 HydrophobicContact CB-CD 4.43Å; D526-K587 VanDerWaalsContact OD2-CA 3.31Å; D526-K587 WeakPolarHBondContact OD2-CA 3.48Å; D526-K587 WeakPolarHBondContact OD2-CD 3.4Å; D526-C588 PolarHBondContact OD2-N 2.92Å
527	V	96.4	Very high	92.7	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	130.5	173.1	63.5	0	0	0	0	108.5	A478 S480 L495 A497 V503 F537 S538 A539	A478-V527 HydrophobicContact CB-CG1 4.12Å; S480-V527 WeakPolarHBondContact CB-O 3.45Å; L495-V527 HydrophobicContact CB-CG1 4.31Å; L495-V527 HydrophobicContact CB-CG2 4.05Å; L495-V527 HydrophobicContact CD1-CG2 3.89Å; A497-V527 HydrophobicContact CB-CB 3.94Å; A497-V527 HydrophobicContact CB-CG1 3.69Å; V503-V527 HydrophobicContact CG1-CG2 4.04Å; V527-F537 HydrophobicContact CG2-CD2 3.85Å; V527-F537 HydrophobicContact CG2-CE2 4.43Å; V527-S538 CarbonylContact C-O 3.52Å; V527-S538 WeakPolarHBondContact CA-O 3.43Å; V527-S538 WeakPolarHBondContact CG2-O 3.46Å; V527-A539 HydrophobicContact CG2-CB 4.38Å
528	C	95.9	Very high	92.8	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.034	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	122.9	178.6	-167.8	0	0	0	0	110.1	F537 S538 R589 W590	C528-F537 WeakPolarHBondContact O-CA 3.12Å; C528-S538 PolarHBondContact N-O 2.96Å; C528-S538 PolarHBondContact O-N 3.25Å; C528-S538 PolarHBondContact O-OG 3.14Å; C528-R589 PolarHBondContact SG-NH1 3.21Å; C528-W590 PolarHBondContact O-NE1 2.91Å
529	W	95.3	Very high	93.1	Very high	6 Å²	6	24 Å²	24	2%	0.023	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	143.5	169.1	-91.2	94	0	0	0	111.3	S480 H482 P483 L495 L505 P534 V536 F537 M551 W590 F626	S480-W529 VanDerWaalsContact O-CD1 3.27Å; S480-W529 PolarHBondContact OG-N 3.44Å; H482-W529 AromaticContact CD2-CD2 3.83Å; H482-W529 AromaticContact CD2-CE2 3.77Å; H482-W529 AromaticContact CD2-CE3 3.67Å; H482-W529 AromaticContact CD2-CH2 3.38Å; H482-W529 WeakPolarHBondContact CD2-CH2 3.38Å; H482-W529 AromaticContact CD2-CZ2 3.58Å; H482-W529 AromaticContact CD2-CZ3 3.48Å; H482-W529 VanDerWaalsContact CD2-CZ3 3.48Å; H482-W529 WeakPolarHBondContact CD2-CZ3 3.32Å; H482-W529 AromaticContact NE2-CH2 3.84Å; H482-W529 AromaticContact NE2-CZ3 3.67Å; P483-W529 HydrophobicContact CG-CB 4.25Å; L495-W529 HydrophobicContact CD1-CD2 4.14Å; L495-W529 HydrophobicContact CD1-CG 4.15Å; L495-W529 HydrophobicContact CD1-CZ2 4.04Å; L495-W529 HydrophobicContact CG-CZ2 4.23Å; L505-W529 HydrophobicContact CD1-CZ2 4.36Å; W529-P534 WeakPolarHBondContact CH2-O 3.39Å; W529-P534 VanDerWaalsContact CZ3-C 3.4Å; W529-P534 WeakPolarHBondContact CZ3-O 3.47Å; W529-V536 VanDerWaalsContact CE3-O 3.25Å; W529-F537 HydrophobicContact CD2-CB 4.4Å; W529-M551 HydrophobicContact CH2-CE 3.22Å; W529-M551 HydrophobicContact CZ2-CE 3.72Å; W529-M551 HydrophobicContact CZ3-CE 4.12Å; W529-W590 VanDerWaalsContact O-CD1 3.27Å; W529-F626 HydrophobicContact CH2-CE1 4.42Å; W529-F626 AromaticContact CH2-CZ 3.97Å; W529-F626 HydrophobicContact CH2-CZ 3.97Å
530	S	93.5	Very high	93.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.			trans	-65	130	166.5	175	0	0	0	0	109.2	P483 V532 H533 V536	P483-S530 WeakPolarHBondContact CG-O 3.43Å; S530-V532 PolarHBondContact O-N 3.34Å; S530-H533 PolarHBondContact OG-N 3.07Å; S530-V536 VanDerWaalsContact CB-O 3.26Å; S530-V536 WeakPolarHBondContact CB-O 3.31Å; S530-V536 PolarHBondContact N-O 3.12Å
531	P	90.1	Very high	93.5	Very high	38 Å²	38	20.5 Å²	20.5	25%	0.247	11%	0.109	C	C	.	.	S	Bend	trans	-71	-14.3	-177.6	26.2	-31.5	0	0	0	113.6	W590 N591	P531-W590 HydrophobicContact CG-CB 4.07Å; P531-N591 WeakPolarHBondContact CG-O 3.43Å
532	V	89.6	Confident	93.6	Very high	49 Å²	49	16.6 Å²	16.6	30%	0.297	8%	0.083	S	C	.	.	S	Bend	trans	-112.2	-48.2	-175	-172	0	0	0	0	111.2	S530 A593 P618	S530-V532 PolarHBondContact O-N 3.34Å; V532-A593 WeakPolarHBondContact CG2-O 3.48Å; V532-P618 HydrophobicContact CG1-CG 3.93Å
533	H	90.3	Very high	93.5	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.009	8%	0.08	C	C	.	.			trans	-89.5	127.3	-173.5	-169.9	-73.8	0	0	0	112.3	S530 A535 V536 D550 P618 D622	S530-H533 PolarHBondContact OG-N 3.07Å; H533-A535 PolarHBondContact ND1-N 3.48Å; H533-A535 PolarHBondContact O-N 2.91Å; H533-V536 HydrophobicContact CB-CB 3.98Å; H533-V536 HydrophobicContact CB-CG2 4.22Å; H533-V536 WeakPolarHBondContact ND1-CG2 3.39Å; H533-V536 PolarHBondContact ND1-N 3.43Å; H533-D550 IonicContact CE1-OD1 2.69Å; H533-P618 HydrophobicContact CB-CB 4.39Å; H533-D622 IonicContact NE2-OD2 3.37Å
534	P	89.8	Confident	93.3	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.7	-168.6	31.1	-38.2	0	0	0	115.6	H482 F490 W529 W623 F626	H482-P534 PolarHBondContact NE2-O 3.04Å; F490-P534 HydrophobicContact CD2-CB 4.45Å; F490-P534 HydrophobicContact CE2-CB 4.45Å; W529-P534 WeakPolarHBondContact CH2-O 3.39Å; W529-P534 VanDerWaalsContact CZ3-C 3.4Å; W529-P534 WeakPolarHBondContact CZ3-O 3.47Å; P534-W623 HydrophobicContact CB-CD2 3.94Å; P534-W623 HydrophobicContact CB-CE3 3.76Å; P534-W623 HydrophobicContact CB-CH2 3.74Å; P534-W623 HydrophobicContact CB-CZ2 3.96Å; P534-W623 HydrophobicContact CB-CZ3 3.66Å; P534-W623 HydrophobicContact CG-CD2 3.73Å; P534-W623 HydrophobicContact CG-CE3 4.1Å; P534-W623 HydrophobicContact CG-CG 4.09Å; P534-W623 HydrophobicContact CG-CH2 4.29Å; P534-W623 HydrophobicContact CG-CZ2 3.99Å; P534-W623 HydrophobicContact CG-CZ3 4.35Å; P534-F626 HydrophobicContact CB-CD1 4.35Å; P534-F626 WeakPolarHBondContact O-CD1 3.49Å; P534-F626 VanDerWaalsContact O-CE1 3.29Å; P534-F626 WeakPolarHBondContact O-CE1 3.47Å
535	A	91.5	Very high	93.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-0.4	-179.6	0	0	0	0	0	113.7	H533 D550 M551 N552 F626	H533-A535 PolarHBondContact ND1-N 3.48Å; H533-A535 PolarHBondContact O-N 2.91Å; A535-D550 WeakPolarHBondContact CB-OD1 3.45Å; A535-M551 HydrophobicContact CB-CB 4.32Å; A535-M551 WeakPolarHBondContact O-CE 3.36Å; A535-M551 PolarHBondContact O-N 3.29Å; A535-M551 VanDerWaalsContact O-N 3.11Å; A535-N552 HydrophobicContact CB-CB 4.38Å; A535-F626 HydrophobicContact CB-CB 4.12Å; A535-F626 HydrophobicContact CB-CD2 3.52Å; A535-F626 HydrophobicContact CB-CE2 4.15Å; A535-F626 HydrophobicContact CB-CG 3.86Å
536	V	94.1	Very high	93	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.2	-173.6	168.8	0	0	0	0	111.7	W529 S530 H533 I548 W549 D550 W590	W529-V536 VanDerWaalsContact CE3-O 3.25Å; S530-V536 VanDerWaalsContact CB-O 3.26Å; S530-V536 WeakPolarHBondContact CB-O 3.31Å; S530-V536 PolarHBondContact N-O 3.12Å; H533-V536 HydrophobicContact CB-CB 3.98Å; H533-V536 HydrophobicContact CB-CG2 4.22Å; H533-V536 WeakPolarHBondContact ND1-CG2 3.39Å; H533-V536 PolarHBondContact ND1-N 3.43Å; V536-I548 HydrophobicContact CG1-CG2 3.83Å; V536-W549 WeakPolarHBondContact CA-O 3.46Å; V536-D550 HydrophobicContact CG2-CB 3.74Å; V536-W590 HydrophobicContact CG1-CH2 3.81Å; V536-W590 HydrophobicContact CG1-CZ2 3.84Å
537	F	95.8	Very high	93	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.6	170.8	64.9	-89.4	0	0	0	110.8	L495 V503 F517 V527 C528 W529 A539 W549 M551	L495-F537 HydrophobicContact CD1-CB 3.55Å; L495-F537 HydrophobicContact CD1-CD1 3.59Å; L495-F537 HydrophobicContact CD1-CD2 3.75Å; L495-F537 HydrophobicContact CD1-CE1 4.16Å; L495-F537 HydrophobicContact CD1-CE2 4.3Å; L495-F537 HydrophobicContact CD1-CG 3.34Å; L495-F537 HydrophobicContact CD1-CZ 4.48Å; V503-F537 HydrophobicContact CG1-CE2 4.14Å; F517-F537 HydrophobicContact CD1-CZ 4.18Å; F517-F537 AromaticContact CD2-CZ 3.93Å; F517-F537 HydrophobicContact CD2-CZ 3.93Å; F517-F537 HydrophobicContact CE1-CE1 4.22Å; F517-F537 HydrophobicContact CE1-CZ 4.05Å; F517-F537 HydrophobicContact CE2-CE1 4.05Å; F517-F537 AromaticContact CE2-CZ 3.79Å; F517-F537 HydrophobicContact CE2-CZ 3.79Å; F517-F537 HydrophobicContact CG-CZ 4.14Å; F517-F537 AromaticContact CZ-CE1 3.84Å; F517-F537 HydrophobicContact CZ-CE1 3.84Å; F517-F537 AromaticContact CZ-CZ 3.87Å; F517-F537 HydrophobicContact CZ-CZ 3.87Å; V527-F537 HydrophobicContact CG2-CD2 3.85Å; V527-F537 HydrophobicContact CG2-CE2 4.43Å; C528-F537 WeakPolarHBondContact O-CA 3.12Å; W529-F537 HydrophobicContact CD2-CB 4.4Å; F537-A539 HydrophobicContact CD2-CB 4.49Å; F537-A539 HydrophobicContact CE2-CB 4.45Å; F537-W549 HydrophobicContact CD1-CB 3.82Å; F537-W549 HydrophobicContact CD2-CB 4.08Å; F537-W549 AromaticContact CD2-CD1 3.9Å; F537-W549 HydrophobicContact CD2-CG 4.18Å; F537-W549 HydrophobicContact CE1-CB 3.41Å; F537-W549 VanDerWaalsContact CE1-CB 3.41Å; F537-W549 AromaticContact CE1-CG 3.96Å; F537-W549 HydrophobicContact CE1-CG 3.96Å; F537-W549 HydrophobicContact CE2-CB 3.69Å; F537-W549 AromaticContact CE2-CD1 3.28Å; F537-W549 HydrophobicContact CE2-CD2 4.25Å; F537-W549 AromaticContact CE2-CG 3.46Å; F537-W549 HydrophobicContact CE2-CG 3.46Å; F537-W549 VanDerWaalsContact CE2-CG 3.46Å; F537-W549 AromaticContact CE2-NE1 3.95Å; F537-W549 HydrophobicContact CG-CB 4.15Å; F537-W549 HydrophobicContact CZ-CB 3.34Å; F537-W549 AromaticContact CZ-CD1 3.68Å; F537-W549 AromaticContact CZ-CD2 3.9Å; F537-W549 HydrophobicContact CZ-CD2 3.9Å; F537-W549 AromaticContact CZ-CG 3.33Å; F537-W549 HydrophobicContact CZ-CG 3.33Å; F537-W549 PolarHBondContact N-O 3.49Å; F537-W549 VanDerWaalsContact N-O 3.14Å; F537-W549 PolarHBondContact O-N 3.21Å; F537-M551 HydrophobicContact CD1-CE 4.22Å; F537-M551 HydrophobicContact CE1-CE 4.27Å; F537-M551 HydrophobicContact CE1-CG 4.18Å; F537-M551 HydrophobicContact CE1-SD 4.31Å
538	S	96.3	Very high	92.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	147.8	170.5	65.1	0	0	0	0	110	V527 C528 D547 C588 W590	V527-S538 CarbonylContact C-O 3.52Å; V527-S538 WeakPolarHBondContact CA-O 3.43Å; V527-S538 WeakPolarHBondContact CG2-O 3.46Å; C528-S538 PolarHBondContact N-O 2.96Å; C528-S538 PolarHBondContact O-N 3.25Å; C528-S538 PolarHBondContact O-OG 3.14Å; S538-D547 CarbonylContact C-O 3.54Å; S538-D547 VanDerWaalsContact CA-O 3.25Å; S538-D547 WeakPolarHBondContact CA-O 3.16Å; S538-C588 PolarHBondContact OG-SG 3.11Å; S538-W590 PolarHBondContact OG-NE1 3.29Å
539	A	96.6	Very high	92.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.3	173.7	0	0	0	0	0	109.8	V503 Y520 V524 D526 V527 F537 D547	V503-A539 HydrophobicContact CG2-CB 4.24Å; Y520-A539 WeakPolarHBondContact OH-CB 3.47Å; V524-A539 HydrophobicContact CG1-CB 4.39Å; D526-A539 WeakPolarHBondContact O-CA 3.18Å; V527-A539 HydrophobicContact CG2-CB 4.38Å; F537-A539 HydrophobicContact CD2-CB 4.49Å; F537-A539 HydrophobicContact CE2-CB 4.45Å; A539-D547 PolarHBondContact N-O 3.25Å; A539-D547 PolarHBondContact O-N 3.46Å
540	V	95.1	Very high	92.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.5	-167.4	168.7	0	0	0	0	110.3	V524 Y525 D526 L546 L585 C588 V599	V524-V540 CarbonylContact C-O 3.45Å; V524-V540 WeakPolarHBondContact CA-O 3.2Å; V524-V540 WeakPolarHBondContact CG1-O 3.29Å; Y525-V540 PolarHBondContact N-O 3.13Å; D526-V540 PolarHBondContact O-N 3.23Å; V540-L546 HydrophobicContact CG2-CD1 3.86Å; V540-L585 HydrophobicContact CB-CB 4.45Å; V540-L585 HydrophobicContact CG1-CB 3.02Å; V540-L585 HydrophobicContact CG1-CD1 3.97Å; V540-L585 HydrophobicContact CG1-CG 4.15Å; V540-L585 WeakPolarHBondContact CG1-O 3.43Å; V540-C588 HydrophobicContact CG2-CB 3.5Å; V540-C588 VanDerWaalsContact CG2-CB 3.5Å; V540-V599 HydrophobicContact CG2-CG1 4.19Å
541	D	92.8	Very high	92.7	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	168	-178.2	84.1	6	0	0	0	113.9	Y520 Y523 T543 G544 N545 L585	Y520-D541 HydrophobicContact CD1-CB 3.93Å; Y520-D541 HydrophobicContact CE1-CB 4.31Å; Y523-D541 CarbonylContact O-C 3.52Å; Y523-D541 VanDerWaalsContact O-CA 3.32Å; Y523-D541 WeakPolarHBondContact O-CA 3.27Å; D541-T543 VanDerWaalsContact C-N 3.3Å; D541-T543 VanDerWaalsContact CG-OG1 3.32Å; D541-T543 PolarHBondContact O-N 3.44Å; D541-T543 WeakPolarHBondContact OD1-CA 3.48Å; D541-T543 PolarHBondContact OD1-N 3.02Å; D541-T543 PolarHBondContact OD1-OG1 3.4Å; D541-T543 VanDerWaalsContact OD1-OG1 3.14Å; D541-T543 PolarHBondContact OD2-OG1 2.76Å; D541-G544 PolarHBondContact OD1-N 2.76Å; D541-N545 PolarHBondContact N-O 3.42Å; D541-N545 VanDerWaalsContact N-O 3.14Å; D541-N545 WeakPolarHBondContact OD1-CA 3.39Å; D541-N545 PolarHBondContact OD1-N 2.61Å; D541-N545 WeakPolarHBondContact OD2-CB 3.36Å; D541-N545 PolarHBondContact OD2-ND2 3.3Å; D541-L585 PolarHBondContact O-N 3.14Å
542	G	88.9	Confident	92.7	Very high	9 Å²	9	7.1 Å²	7.1	9%	0.093	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.3	173.8	0	0	0	0	0	115.9	Y523 Y525 G544 A584	Y523-G542 PolarHBondContact O-N 3.32Å; Y525-G542 VanDerWaalsContact CE2-CA 3.48Å; G542-G544 VanDerWaalsContact C-N 3.32Å; G542-A584 WeakPolarHBondContact O-CA 3.27Å; G542-A584 WeakPolarHBondContact O-CB 3.17Å
543	T	89.3	Confident	92.7	Very high	31 Å²	31	11.6 Å²	11.6	19%	0.19	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.7	179.8	81.9	0	0	0	0	113.7	D522 D541 N545 K563	D522-T543 HydrophobicContact CB-CG2 3.39Å; D541-T543 VanDerWaalsContact C-N 3.3Å; D541-T543 VanDerWaalsContact CG-OG1 3.32Å; D541-T543 PolarHBondContact O-N 3.44Å; D541-T543 WeakPolarHBondContact OD1-CA 3.48Å; D541-T543 PolarHBondContact OD1-N 3.02Å; D541-T543 PolarHBondContact OD1-OG1 3.4Å; D541-T543 VanDerWaalsContact OD1-OG1 3.14Å; D541-T543 PolarHBondContact OD2-OG1 2.76Å; T543-N545 PolarHBondContact OG1-ND2 3.32Å; T543-K563 WeakPolarHBondContact O-CE 3.48Å; T543-K563 PolarHBondContact O-NZ 3.04Å
544	G	89.6	Confident	92.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	104.2	7.9	179.6	0	0	0	0	0	114.1	D541 G542 K563 L564 V583 L585	D541-G544 PolarHBondContact OD1-N 2.76Å; G542-G544 VanDerWaalsContact C-N 3.32Å; G544-K563 CarbonylContact O-C 3.54Å; G544-K563 WeakPolarHBondContact O-CA 3.18Å; G544-L564 PolarHBondContact O-N 2.89Å; G544-V583 VanDerWaalsContact CA-O 3.27Å; G544-V583 WeakPolarHBondContact CA-O 3.39Å; G544-L585 VanDerWaalsContact O-CD1 3.29Å; G544-L585 WeakPolarHBondContact O-CD1 3.42Å
545	N	92.5	Very high	92.5	Very high	19 Å²	19	15.2 Å²	15.2	10%	0.102	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.5	-175	-53.5	-37.9	0	0	0	112.2	D541 T543 R561 R562 K563	D541-N545 PolarHBondContact N-O 3.42Å; D541-N545 VanDerWaalsContact N-O 3.14Å; D541-N545 WeakPolarHBondContact OD1-CA 3.39Å; D541-N545 PolarHBondContact OD1-N 2.61Å; D541-N545 WeakPolarHBondContact OD2-CB 3.36Å; D541-N545 PolarHBondContact OD2-ND2 3.3Å; T543-N545 PolarHBondContact OG1-ND2 3.32Å; N545-R561 HydrophobicContact CB-CG 4.2Å; N545-R562 WeakPolarHBondContact CA-O 3.48Å; N545-K563 WeakPolarHBondContact OD1-CB 3.49Å; N545-K563 WeakPolarHBondContact OD1-CG 3.42Å
546	L	94.5	Very high	92.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.2	160.4	173.3	66.7	0	0	0	108.3	L252 V540 I548 R562 L564 V597 V599 C609	L252-L546 HydrophobicContact CD2-CD2 4.5Å; V540-L546 HydrophobicContact CG2-CD1 3.86Å; L546-I548 HydrophobicContact CD1-CD1 4.49Å; L546-I548 HydrophobicContact CG-CD1 4.49Å; L546-R562 PolarHBondContact N-O 2.77Å; L546-R562 PolarHBondContact O-N 3.5Å; L546-L564 HydrophobicContact CB-CD1 4.03Å; L546-V597 HydrophobicContact CD1-CG1 4.1Å; L546-V597 HydrophobicContact CD2-CB 4.42Å; L546-V597 HydrophobicContact CD2-CG1 4.23Å; L546-V599 HydrophobicContact CB-CG2 4.43Å; L546-V599 HydrophobicContact CD1-CG2 3.84Å; L546-V599 HydrophobicContact CD2-CG2 3.79Å; L546-V599 HydrophobicContact CG-CG2 4.22Å; L546-C609 HydrophobicContact CD2-CB 3.97Å
547	D	94.7	Very high	92.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.3	177.6	-66.9	-16	0	0	0	110.5	Y520 S538 A539 P558 A560 R561	Y520-D547 HydrophobicContact CE1-CB 4.41Å; Y520-D547 WeakPolarHBondContact CE1-OD2 3.43Å; Y520-D547 PolarHBondContact OH-OD2 3.2Å; S538-D547 CarbonylContact C-O 3.54Å; S538-D547 VanDerWaalsContact CA-O 3.25Å; S538-D547 WeakPolarHBondContact CA-O 3.16Å; A539-D547 PolarHBondContact N-O 3.25Å; A539-D547 PolarHBondContact O-N 3.46Å; D547-P558 HydrophobicContact CB-CB 4.05Å; D547-A560 WeakPolarHBondContact CA-O 3.17Å; D547-R561 VanDerWaalsContact CG-NE 3.33Å; D547-R561 VanDerWaalsContact OD1-CB 3.31Å; D547-R561 WeakPolarHBondContact OD1-CB 3.37Å; D547-R561 WeakPolarHBondContact OD1-CD 3.44Å; D547-R561 WeakPolarHBondContact OD1-CG 3.34Å; D547-R561 IonicContact OD1-CZ 3.12Å; D547-R561 IonicContact OD1-NE 2.75Å; D547-R561 PolarHBondContact OD1-NE 2.76Å; D547-R561 IonicContact OD1-NH2 3.82Å; D547-R561 IonicContact OD2-CZ 3.68Å; D547-R561 IonicContact OD2-NE 2.77Å; D547-R561 PolarHBondContact OD2-NE 3.39Å; D547-R561 IonicContact OD2-NH2 2.84Å; D547-R561 PolarHBondContact OD2-NH2 3.22Å
548	I	95.6	Very high	92.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.1	170.5	-54.8	-60.5	0	0	0	108.1	L252 V536 L546 V559 A560 W590 V597 L615	L252-I548 HydrophobicContact CD1-CG1 3.69Å; L252-I548 HydrophobicContact CD2-CD1 4.44Å; L252-I548 HydrophobicContact CD2-CG1 3.79Å; L252-I548 HydrophobicContact CG-CG1 4.09Å; V536-I548 HydrophobicContact CG1-CG2 3.83Å; L546-I548 HydrophobicContact CD1-CD1 4.49Å; L546-I548 HydrophobicContact CG-CD1 4.49Å; I548-V559 PolarHBondContact O-N 2.78Å; I548-A560 HydrophobicContact CB-CB 4.38Å; I548-A560 PolarHBondContact N-O 2.71Å; I548-A560 PolarHBondContact O-N 2.93Å; I548-W590 HydrophobicContact CD1-CH2 3.93Å; I548-W590 HydrophobicContact CD1-CZ2 3.68Å; I548-W590 HydrophobicContact CG2-CH2 4.38Å; I548-V597 HydrophobicContact CD1-CG2 4.31Å; I548-L615 HydrophobicContact CG2-CD1 4.17Å
549	W	95.2	Very high	92	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.3	177.8	-67.1	82.6	0	0	0	109.1	F517 D519 Y520 V536 F537 E556 P558	F517-W549 HydrophobicContact CB-CH2 4.12Å; F517-W549 HydrophobicContact CB-CZ2 4.26Å; F517-W549 HydrophobicContact CB-CZ3 4.44Å; F517-W549 HydrophobicContact CD1-CD2 4.24Å; F517-W549 AromaticContact CD1-CE3 3.66Å; F517-W549 HydrophobicContact CD1-CE3 3.66Å; F517-W549 HydrophobicContact CD1-CH2 4.14Å; F517-W549 AromaticContact CD1-CZ3 3.6Å; F517-W549 HydrophobicContact CD1-CZ3 3.6Å; F517-W549 HydrophobicContact CE1-CE3 4.1Å; F517-W549 HydrophobicContact CE1-CZ3 4.36Å; F517-W549 HydrophobicContact CG-CZ3 4.45Å; D519-W549 HydrophobicContact CB-CH2 3.91Å; D519-W549 HydrophobicContact CB-CZ2 4.19Å; Y520-W549 HydrophobicContact CE2-CZ2 4.06Å; Y520-W549 AromaticContact CZ-NE1 3.84Å; Y520-W549 PolarHBondContact OH-NE1 3.32Å; V536-W549 WeakPolarHBondContact CA-O 3.46Å; F537-W549 HydrophobicContact CD1-CB 3.82Å; F537-W549 HydrophobicContact CD2-CB 4.08Å; F537-W549 AromaticContact CD2-CD1 3.9Å; F537-W549 HydrophobicContact CD2-CG 4.18Å; F537-W549 HydrophobicContact CE1-CB 3.41Å; F537-W549 VanDerWaalsContact CE1-CB 3.41Å; F537-W549 AromaticContact CE1-CG 3.96Å; F537-W549 HydrophobicContact CE1-CG 3.96Å; F537-W549 HydrophobicContact CE2-CB 3.69Å; F537-W549 AromaticContact CE2-CD1 3.28Å; F537-W549 HydrophobicContact CE2-CD2 4.25Å; F537-W549 AromaticContact CE2-CG 3.46Å; F537-W549 HydrophobicContact CE2-CG 3.46Å; F537-W549 VanDerWaalsContact CE2-CG 3.46Å; F537-W549 AromaticContact CE2-NE1 3.95Å; F537-W549 HydrophobicContact CG-CB 4.15Å; F537-W549 HydrophobicContact CZ-CB 3.34Å; F537-W549 AromaticContact CZ-CD1 3.68Å; F537-W549 AromaticContact CZ-CD2 3.9Å; F537-W549 HydrophobicContact CZ-CD2 3.9Å; F537-W549 AromaticContact CZ-CG 3.33Å; F537-W549 HydrophobicContact CZ-CG 3.33Å; F537-W549 PolarHBondContact N-O 3.49Å; F537-W549 VanDerWaalsContact N-O 3.14Å; F537-W549 PolarHBondContact O-N 3.21Å; W549-E556 WeakPolarHBondContact CH2-O 3.43Å; W549-P558 HydrophobicContact CD2-CB 4.06Å; W549-P558 HydrophobicContact CG-CB 4.46Å; W549-P558 HydrophobicContact CZ2-CB 4.06Å; W549-P558 HydrophobicContact CZ2-CG 4.21Å
550	D	93.2	Very high	91.7	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	105.9	165	-176.7	5.9	0	0	0	108.2	H533 A535 V536 N552 Q553 D554 V559 L615	H533-D550 IonicContact CE1-OD1 2.69Å; A535-D550 WeakPolarHBondContact CB-OD1 3.45Å; V536-D550 HydrophobicContact CG2-CB 3.74Å; D550-N552 PolarHBondContact O-N 3.44Å; D550-N552 VanDerWaalsContact O-N 3.14Å; D550-N552 WeakPolarHBondContact OD1-CB 2.99Å; D550-N552 PolarHBondContact OD1-N 3.09Å; D550-N552 VanDerWaalsContact OD1-N 3.1Å; D550-Q553 HydrophobicContact CB-CB 4.46Å; D550-Q553 HydrophobicContact CB-CG 4.17Å; D550-Q553 PolarHBondContact O-N 2.79Å; D550-Q553 WeakPolarHBondContact OD2-CG 3.29Å; D550-D554 PolarHBondContact O-N 2.82Å; D550-D554 VanDerWaalsContact O-N 3.15Å; D550-D554 VanDerWaalsContact O-O 3.06Å; D550-V559 HydrophobicContact CB-CG2 3.82Å; D550-L615 HydrophobicContact CB-CD2 4.36Å
551	M	91.6	Very high	91.5	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.02	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.3	-177.5	-67.4	178.3	-80.5	0	0	112.9	L505 F517 W529 A535 F537 Q553 F626	L505-M551 HydrophobicContact CD2-SD 4.06Å; F517-M551 HydrophobicContact CE1-CG 4.16Å; F517-M551 HydrophobicContact CZ-CG 3.92Å; F517-M551 HydrophobicContact CZ-SD 3.72Å; W529-M551 HydrophobicContact CH2-CE 3.22Å; W529-M551 HydrophobicContact CZ2-CE 3.72Å; W529-M551 HydrophobicContact CZ3-CE 4.12Å; A535-M551 HydrophobicContact CB-CB 4.32Å; A535-M551 WeakPolarHBondContact O-CE 3.36Å; A535-M551 PolarHBondContact O-N 3.29Å; A535-M551 VanDerWaalsContact O-N 3.11Å; F537-M551 HydrophobicContact CD1-CE 4.22Å; F537-M551 HydrophobicContact CE1-CE 4.27Å; F537-M551 HydrophobicContact CE1-CG 4.18Å; F537-M551 HydrophobicContact CE1-SD 4.31Å; M551-Q553 VanDerWaalsContact C-N 3.28Å; M551-F626 HydrophobicContact CB-CD2 4.35Å; M551-F626 HydrophobicContact CB-CE2 4.15Å; M551-F626 HydrophobicContact CE-CD2 4.3Å; M551-F626 HydrophobicContact CE-CE2 3.29Å; M551-F626 HydrophobicContact CE-CZ 3.63Å; M551-F626 HydrophobicContact SD-CE2 3.82Å; M551-F626 HydrophobicContact SD-CZ 4.44Å
552	N	90.7	Very high	91.4	Very high	29 Å²	29	38.2 Å²	38.2	16%	0.155	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-24.2	175.5	-73.1	-11.7	0	0	0	112.7	A535 D550 D622 F626	A535-N552 HydrophobicContact CB-CB 4.38Å; D550-N552 PolarHBondContact O-N 3.44Å; D550-N552 VanDerWaalsContact O-N 3.14Å; D550-N552 WeakPolarHBondContact OD1-CB 2.99Å; D550-N552 PolarHBondContact OD1-N 3.09Å; D550-N552 VanDerWaalsContact OD1-N 3.1Å; N552-D622 PolarHBondContact ND2-O 3.5Å; N552-F626 WeakPolarHBondContact OD1-CA 3.5Å; N552-F626 VanDerWaalsContact OD1-CB 3.31Å; N552-F626 WeakPolarHBondContact OD1-CB 3.38Å; N552-F626 PolarHBondContact OD1-N 3.38Å; N552-F626 VanDerWaalsContact OD1-N 3.11Å
553	Q	88.9	Confident	91.5	Very high	144 Å²	144	42.3 Å²	42.3	67%	0.673	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-58.8	-179.8	-60.4	-65.9	-19.2	0	0	110.6	D550 M551 V559	D550-Q553 HydrophobicContact CB-CB 4.46Å; D550-Q553 HydrophobicContact CB-CG 4.17Å; D550-Q553 PolarHBondContact O-N 2.79Å; D550-Q553 WeakPolarHBondContact OD2-CG 3.29Å; M551-Q553 VanDerWaalsContact C-N 3.28Å; Q553-V559 HydrophobicContact CB-CG2 4.06Å; Q553-V559 HydrophobicContact CG-CG2 4.47Å
554	D	88.4	Confident	91.3	Very high	61 Å²	61	41.2 Å²	41.2	33%	0.326	20%	0.198	S	C	.	.			trans	-149.7	134	-177.9	-161	-23.1	0	0	0	109.7	D550 E556	D550-D554 PolarHBondContact O-N 2.82Å; D550-D554 VanDerWaalsContact O-N 3.15Å; D550-D554 VanDerWaalsContact O-O 3.06Å; D554-E556 PolarHBondContact OD1-N 2.77Å
555	A	87.3	Confident	90.4	Very high	17 Å²	17	42.6 Å²	42.6	14%	0.14	21%	0.213	C	C	.	.	S	Bend	trans	-95.7	-15.7	177.1	0	0	0	0	0	112.4	H515 F517 L633	H515-A555 PolarHBondContact CE1-O 2.85Å; F517-A555 WeakPolarHBondContact CD1-O 3.32Å; F517-A555 VanDerWaalsContact CE1-O 3.29Å; F517-A555 WeakPolarHBondContact CE1-O 3.35Å; A555-L633 HydrophobicContact CB-CD2 4.4Å
556	E	89	Confident	89	Confident	140 Å²	140	45.9 Å²	45.9	65%	0.654	23%	0.23	S	C	*	.	S	Bend	trans	-96.8	-31.4	-175.7	-63.7	-174.5	175.4	0	0	112.5	W549 D554	W549-E556 WeakPolarHBondContact CH2-O 3.43Å; D554-E556 PolarHBondContact OD1-N 2.77Å
557	I	92.2	Very high	86.9	Confident	94 Å²	94	49.1 Å²	49.1	48%	0.482	25%	0.252	S	S	.	.	S	Bend	trans	-124.5	137.2	-173.3	-54.2	172.1	0	0	0	110.4
558	P	93.3	Very high	84.6	Confident	12 Å²	12	54.8 Å²	54.8	8%	0.078	29%	0.292	C	S	.	.			trans	-66.3	136.9	174.3	27.8	-34.3	0	0	0	110.9	D519 D547 W549 A560	D519-P558 VanDerWaalsContact OD2-CD 3.28Å; D519-P558 WeakPolarHBondContact OD2-CD 3.45Å; D547-P558 HydrophobicContact CB-CB 4.05Å; W549-P558 HydrophobicContact CD2-CB 4.06Å; W549-P558 HydrophobicContact CG-CB 4.46Å; W549-P558 HydrophobicContact CZ2-CB 4.06Å; W549-P558 HydrophobicContact CZ2-CG 4.21Å; P558-A560 VanDerWaalsContact C-N 3.32Å; P558-A560 PolarHBondContact O-N 2.83Å
559	V	91.8	Very high	81.9	Confident	48 Å²	48	61.3 Å²	61.3	29%	0.291	33%	0.327	S	S	.	.	S	Bend	trans	-67.3	-36.3	-179.3	178.2	0	0	0	0	111.5	L251 I548 D550 Q553 L615	L251-V559 HydrophobicContact CD1-CG1 3.78Å; I548-V559 PolarHBondContact O-N 2.78Å; D550-V559 HydrophobicContact CB-CG2 3.82Å; Q553-V559 HydrophobicContact CB-CG2 4.06Å; Q553-V559 HydrophobicContact CG-CG2 4.47Å; V559-L615 HydrophobicContact CG1-CD1 4.38Å; V559-L615 HydrophobicContact CG1-CD2 4.18Å
560	A	91.5	Very high	79.3	Confident	10 Å²	10	65.8 Å²	65.8	8%	0.083	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	127.5	175.3	0	0	0	0	0	110.2	L251 L252 D547 I548 P558	L251-A560 HydrophobicContact CB-CB 3.84Å; L251-A560 HydrophobicContact CD1-CB 4.24Å; L252-A560 HydrophobicContact CD1-CB 3.48Å; L252-A560 VanDerWaalsContact CD1-CB 3.48Å; L252-A560 HydrophobicContact CG-CB 3.77Å; D547-A560 WeakPolarHBondContact CA-O 3.17Å; I548-A560 HydrophobicContact CB-CB 4.38Å; I548-A560 PolarHBondContact N-O 2.71Å; I548-A560 PolarHBondContact O-N 2.93Å; P558-A560 VanDerWaalsContact C-N 3.32Å; P558-A560 PolarHBondContact O-N 2.83Å
561	R	91.4	Very high	76.5	Confident	103 Å²	103	71.9 Å²	71.9	39%	0.389	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.8	174.9	169.1	167.3	-71.8	156.2	-1.6	108.9	D519 N545 D547	D519-R561 IonicContact OD2-CZ 3.86Å; D519-R561 IonicContact OD2-NH1 2.6Å; D519-R561 PolarHBondContact OD2-NH1 2.95Å; D519-R561 IonicContact OD2-NH2 3.95Å; D519-R561 PolarHBondContact OD2-NH2 2.69Å; N545-R561 HydrophobicContact CB-CG 4.2Å; D547-R561 VanDerWaalsContact CG-NE 3.33Å; D547-R561 VanDerWaalsContact OD1-CB 3.31Å; D547-R561 WeakPolarHBondContact OD1-CB 3.37Å; D547-R561 WeakPolarHBondContact OD1-CD 3.44Å; D547-R561 WeakPolarHBondContact OD1-CG 3.34Å; D547-R561 IonicContact OD1-CZ 3.12Å; D547-R561 IonicContact OD1-NE 2.75Å; D547-R561 PolarHBondContact OD1-NE 2.76Å; D547-R561 IonicContact OD1-NH2 3.82Å; D547-R561 IonicContact OD2-CZ 3.68Å; D547-R561 IonicContact OD2-NE 2.77Å; D547-R561 PolarHBondContact OD2-NE 3.39Å; D547-R561 IonicContact OD2-NH2 2.84Å; D547-R561 PolarHBondContact OD2-NH2 3.22Å
562	R	90.3	Very high	73.7	Confident	78 Å²	78	79.2 Å²	79.2	29%	0.294	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.7	177.3	-176.8	164.8	179.7	97.4	0.5	111.6	E250 L252 V254 N545 L546 L564	E250-R562 IonicContact OE2-NH1 3.72Å; E250-R562 PolarHBondContact OE2-NH1 2.73Å; L252-R562 HydrophobicContact CB-CB 4.27Å; L252-R562 HydrophobicContact CD1-CB 4.05Å; L252-R562 WeakPolarHBondContact O-CD 3.24Å; V254-R562 VanDerWaalsContact CG2-NE 3.28Å; N545-R562 WeakPolarHBondContact CA-O 3.48Å; L546-R562 PolarHBondContact N-O 2.77Å; L546-R562 PolarHBondContact O-N 3.5Å; R562-L564 HydrophobicContact CG-CD2 4.07Å
563	K	89.6	Confident	71	Confident	95 Å²	95	82.8 Å²	82.8	41%	0.413	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117	175.3	-169.3	157.3	-178	147.6	0	111.5	T543 G544 N545 L566	T543-K563 WeakPolarHBondContact O-CE 3.48Å; T543-K563 PolarHBondContact O-NZ 3.04Å; G544-K563 CarbonylContact O-C 3.54Å; G544-K563 WeakPolarHBondContact O-CA 3.18Å; N545-K563 WeakPolarHBondContact OD1-CB 3.49Å; N545-K563 WeakPolarHBondContact OD1-CG 3.42Å; K563-L566 HydrophobicContact CB-CD1 4.42Å; K563-L566 HydrophobicContact CD-CD1 3.68Å; K563-L566 HydrophobicContact CD-CG 4.32Å; K563-L566 HydrophobicContact CG-CD1 3.77Å; K563-L566 HydrophobicContact CG-CG 4.19Å
564	L	86.5	Confident	68.4	Low	7 Å²	7	80.2 Å²	80.2	4%	0.037	46%	0.457	C	S	.	.			trans	-100.8	158.8	177.6	-55.2	179.5	0	0	0	110.5	V254 G544 L546 R562 L566 L585 V599 T607	V254-L564 HydrophobicContact CG2-CD2 3.83Å; G544-L564 PolarHBondContact O-N 2.89Å; L546-L564 HydrophobicContact CB-CD1 4.03Å; R562-L564 HydrophobicContact CG-CD2 4.07Å; L564-L566 VanDerWaalsContact C-N 3.3Å; L564-L566 PolarHBondContact O-N 3.33Å; L564-L585 HydrophobicContact CB-CD1 4.23Å; L564-L585 HydrophobicContact CB-CD2 4.07Å; L564-L585 HydrophobicContact CD1-CD1 4.08Å; L564-L585 HydrophobicContact CD1-CD2 4.4Å; L564-L585 HydrophobicContact CG-CD1 4.43Å; L564-V599 HydrophobicContact CD1-CB 3.9Å; L564-V599 HydrophobicContact CD1-CG1 4.02Å; L564-V599 HydrophobicContact CD1-CG2 3.93Å; L564-T607 HydrophobicContact CD1-CG2 4.38Å; L564-T607 HydrophobicContact CD2-CG2 4.04Å
565	G	70.3	Confident	65.8	Low	30 Å²	30	83.5 Å²	83.5	31%	0.309	49%	0.485	S	S	.	.			trans	80.9	-2.4	174	0	0	0	0	0	116.5	S567 V583	G565-S567 PolarHBondContact O-N 3.49Å; G565-S567 VanDerWaalsContact O-N 3.11Å; G565-V583 WeakPolarHBondContact O-CG2 3.18Å
566	L	62.2	Low	63.2	Low	87 Å²	87	86.7 Å²	86.7	46%	0.455	51%	0.506	S	S	.	.			trans	-74.2	97.2	162.2	-68.1	170.4	0	0	0	108	K563 L564 S568 L580	K563-L566 HydrophobicContact CB-CD1 4.42Å; K563-L566 HydrophobicContact CD-CD1 3.68Å; K563-L566 HydrophobicContact CD-CG 4.32Å; K563-L566 HydrophobicContact CG-CD1 3.77Å; K563-L566 HydrophobicContact CG-CG 4.19Å; L564-L566 VanDerWaalsContact C-N 3.3Å; L564-L566 PolarHBondContact O-N 3.33Å; L566-S568 PolarHBondContact O-N 2.86Å; L566-L580 HydrophobicContact CD2-CD2 3.44Å; L566-L580 VanDerWaalsContact CD2-CD2 3.44Å
567	S	51.1	Low	60.8	Low	68 Å²	68	86.5 Å²	86.5	48%	0.476	52%	0.52	S	S	.	.			trans	-55.9	119	164.1	65.2	0	0	0	0	107.1	G565 N569	G565-S567 PolarHBondContact O-N 3.49Å; G565-S567 VanDerWaalsContact O-N 3.11Å; S567-N569 PolarHBondContact O-N 3.48Å
568	S	46.4	Very low	58.2	Low	119 Å²	119	86.1 Å²	86.1	83%	0.832	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	2.2	177.9	52	0	0	0	0	114.4	L566	L566-S568 PolarHBondContact O-N 2.86Å
569	N	39.4	Very low	55.7	Low	138 Å²	138	92.6 Å²	92.6	74%	0.738	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	9.6	-178	-65.3	-15.7	0	0	0	114.4	S567	S567-N569 PolarHBondContact O-N 3.48Å
570	V	40.7	Very low	53.5	Low	94 Å²	94	96.1 Å²	96.1	57%	0.57	58%	0.576	S	S	*	*	S	Bend	trans	-115.9	95.8	171.4	-173.2	0	0	0	0	109.8	T572	V570-T572 PolarHBondContact O-N 3.08Å
571	D	33.4	Very low	51.7	Low	132 Å²	132	101.7 Å²	101.7	71%	0.706	61%	0.609	S	S	*	*			trans	-20.6	120.3	168.9	-61.6	-46	0	0	0	115.4	S573	D571-S573 PolarHBondContact O-N 2.99Å
572	T	33.7	Very low	50.7	Low	157 Å²	157	98.2 Å²	98.2	96%	0.963	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	42.9	170.9	-48.1	0	0	0	0	114.1	V570	V570-T572 PolarHBondContact O-N 3.08Å
573	S	33.6	Very low	50.5	Low	104 Å²	104	95.7 Å²	95.7	73%	0.727	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138	6.1	-173.9	71	0	0	0	0	117.5	D571	D571-S573 PolarHBondContact O-N 2.99Å
574	S	34.6	Very low	50.5	Low	90 Å²	90	92 Å²	92	63%	0.629	59%	0.586	S	S	*	*			trans	-121.4	93.7	169.9	73.7	0	0	0	0	112.6	S576	S574-S576 PolarHBondContact O-N 3.15Å
575	S	34.7	Very low	50.8	Low	130 Å²	130	91.9 Å²	91.9	91%	0.909	59%	0.585	S	S	*	*			trans	-66.1	45.5	165.8	-52	0	0	0	0	112.8
576	S	32.1	Very low	51.9	Low	85 Å²	85	92 Å²	92	59%	0.594	58%	0.579	S	S	*	*			trans	-103.8	99.7	172.5	-64.2	0	0	0	0	107.7	S574 S578	S574-S576 PolarHBondContact O-N 3.15Å; S576-S578 PolarHBondContact O-N 3.38Å
577	S	37.8	Very low	53.5	Low	135 Å²	135	89.9 Å²	89.9	94%	0.944	57%	0.566	S	S	*	*			trans	-61.3	44.2	177.4	-59.1	0	0	0	0	114.8
578	S	38.3	Very low	55.6	Low	86 Å²	86	86.7 Å²	86.7	60%	0.601	54%	0.543	S	S	*	.	S	Bend	trans	-125.8	100.3	176.5	63.4	0	0	0	0	109.9	S576	S576-S578 PolarHBondContact O-N 3.38Å
579	N	41	Very low	58	Low	149 Å²	149	85.1 Å²	85.1	80%	0.797	52%	0.519	S	S	*	.			trans	67.4	43.8	160.2	-50.3	-7.5	0	0	0	116.6	V581	N579-V581 PolarHBondContact O-N 3.12Å
580	L	44	Very low	60.6	Low	121 Å²	121	79.1 Å²	79.1	63%	0.634	49%	0.486	S	S	*	.			trans	-66.6	91.9	144.2	-151	80.3	0	0	0	104.3	L566 G582	L566-L580 HydrophobicContact CD2-CD2 3.44Å; L566-L580 VanDerWaalsContact CD2-CD2 3.44Å; L580-G582 PolarHBondContact O-N 3.2Å
581	V	55.6	Low	63.1	Low	128 Å²	128	75.2 Å²	75.2	78%	0.776	46%	0.462	S	S	*	.			trans	-64.1	96.7	171.9	180	0	0	0	0	103.9	N579	N579-V581 PolarHBondContact O-N 3.12Å
582	G	68.5	Low	65.7	Low	30 Å²	30	71.9 Å²	71.9	31%	0.309	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-60.3	140.7	173.4	0	0	0	0	0	107.9	L580 A584	L580-G582 PolarHBondContact O-N 3.2Å; G582-A584 PolarHBondContact O-N 3.15Å
583	V	86.5	Confident	68.3	Low	24 Å²	24	66.9 Å²	66.9	15%	0.145	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-70.3	125.6	168.8	169.7	0	0	0	0	107	G544 G565 D601 T603	G544-V583 VanDerWaalsContact CA-O 3.27Å; G544-V583 WeakPolarHBondContact CA-O 3.39Å; G565-V583 WeakPolarHBondContact O-CG2 3.18Å; V583-D601 HydrophobicContact CG1-CB 3.38Å; V583-D601 WeakPolarHBondContact CG1-OD2 3.35Å; V583-T603 HydrophobicContact CG1-CG2 4.21Å; V583-T603 HydrophobicContact CG2-CG2 3.98Å
584	A	89.9	Confident	71	Confident	18 Å²	18	62 Å²	62	15%	0.149	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-88.8	135.3	178.8	0	0	0	0	0	109	G542 G582 D601 D602	G542-A584 WeakPolarHBondContact O-CA 3.27Å; G542-A584 WeakPolarHBondContact O-CB 3.17Å; G582-A584 PolarHBondContact O-N 3.15Å; A584-D601 CarbonylContact O-C 3.6Å; A584-D601 WeakPolarHBondContact O-CA 3.29Å; A584-D602 HydrophobicContact CB-CB 4.46Å; A584-D602 PolarHBondContact N-OD1 2.86Å; A584-D602 PolarHBondContact O-N 2.82Å
585	L	93.5	Very high	73.7	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.026	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.2	177.8	-60.7	174.2	0	0	0	109.4	Y525 V540 D541 G544 L564 V599 D601	Y525-L585 WeakPolarHBondContact CB-O 3.4Å; Y525-L585 WeakPolarHBondContact CD2-O 3.17Å; V540-L585 HydrophobicContact CB-CB 4.45Å; V540-L585 HydrophobicContact CG1-CB 3.02Å; V540-L585 HydrophobicContact CG1-CD1 3.97Å; V540-L585 HydrophobicContact CG1-CG 4.15Å; V540-L585 WeakPolarHBondContact CG1-O 3.43Å; D541-L585 PolarHBondContact O-N 3.14Å; G544-L585 VanDerWaalsContact O-CD1 3.29Å; G544-L585 WeakPolarHBondContact O-CD1 3.42Å; L564-L585 HydrophobicContact CB-CD1 4.23Å; L564-L585 HydrophobicContact CB-CD2 4.07Å; L564-L585 HydrophobicContact CD1-CD1 4.08Å; L564-L585 HydrophobicContact CD1-CD2 4.4Å; L564-L585 HydrophobicContact CG-CD1 4.43Å; L585-V599 HydrophobicContact CB-CG1 4.09Å; L585-V599 HydrophobicContact CD1-CG1 3.82Å; L585-V599 HydrophobicContact CD2-CG1 3.73Å; L585-V599 HydrophobicContact CG-CG1 4.06Å; L585-D601 HydrophobicContact CD2-CB 3.97Å
586	N	93.4	Very high	76.5	Confident	33 Å²	33	55.8 Å²	55.8	18%	0.176	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-35.5	-172.3	-166.9	10	0	0	0	113.6	I269 Y525 G600	I269-N586 PolarHBondContact O-ND2 3.45Å; Y525-N586 WeakPolarHBondContact CB-O 3.46Å; N586-G600 PolarHBondContact N-O 3.04Å
587	K	95.3	Very high	79.5	Confident	41 Å²	41	51.8 Å²	51.8	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.4	-175.3	-67.5	-70.8	162.6	-85.3	0	111.9	T270 L272 D526 V599 G600	T270-K587 VanDerWaalsContact O-CE 3.23Å; T270-K587 WeakPolarHBondContact O-CE 3.47Å; L272-K587 HydrophobicContact CD1-CB 3.91Å; L272-K587 WeakPolarHBondContact CD1-O 3.44Å; L272-K587 HydrophobicContact CG-CB 4.08Å; D526-K587 HydrophobicContact CB-CD 4.43Å; D526-K587 VanDerWaalsContact OD2-CA 3.31Å; D526-K587 WeakPolarHBondContact OD2-CA 3.48Å; D526-K587 WeakPolarHBondContact OD2-CD 3.4Å; K587-V599 CarbonylContact O-C 3.59Å; K587-V599 VanDerWaalsContact O-CA 3.31Å; K587-V599 WeakPolarHBondContact O-CA 3.44Å; K587-G600 PolarHBondContact N-O 3.04Å; K587-G600 PolarHBondContact O-N 3.4Å
588	C	95.2	Very high	82.2	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.007	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.1	167.2	60.3	0	0	0	0	112.6	D526 S538 V540 V597 A598 V599	D526-C588 PolarHBondContact OD2-N 2.92Å; S538-C588 PolarHBondContact OG-SG 3.11Å; V540-C588 HydrophobicContact CG2-CB 3.5Å; V540-C588 VanDerWaalsContact CG2-CB 3.5Å; C588-V597 HydrophobicContact CB-CG1 4.2Å; C588-A598 CarbonylContact C-O 3.58Å; C588-A598 WeakPolarHBondContact CA-O 2.96Å; C588-V599 HydrophobicContact CB-CG2 4.32Å
589	R	95.9	Very high	84.9	Confident	86 Å²	86	41.3 Å²	41.3	33%	0.325	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	127.2	176.2	-154.6	71.8	170.5	156.3	-3.9	111.4	L272 D273 W274 C528 A598	L272-R589 HydrophobicContact CB-CB 3.89Å; D273-R589 IonicContact OD1-NE 3.68Å; W274-R589 PolarHBondContact NE1-O 3.31Å; C528-R589 PolarHBondContact SG-NH1 3.21Å; R589-A598 PolarHBondContact N-O 3.01Å; R589-A598 PolarHBondContact O-N 2.94Å
590	W	95.1	Very high	87.4	Confident	12 Å²	12	34.2 Å²	34.2	5%	0.045	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	141.9	171.7	-69.6	85.5	0	0	0	111.2	W274 C528 W529 P531 V536 S538 I548 G594 V597 V611	W274-W590 VanDerWaalsContact CD1-C 3.46Å; C528-W590 PolarHBondContact O-NE1 2.91Å; W529-W590 VanDerWaalsContact O-CD1 3.27Å; P531-W590 HydrophobicContact CG-CB 4.07Å; V536-W590 HydrophobicContact CG1-CH2 3.81Å; V536-W590 HydrophobicContact CG1-CZ2 3.84Å; S538-W590 PolarHBondContact OG-NE1 3.29Å; I548-W590 HydrophobicContact CD1-CH2 3.93Å; I548-W590 HydrophobicContact CD1-CZ2 3.68Å; I548-W590 HydrophobicContact CG2-CH2 4.38Å; W590-G594 VanDerWaalsContact CZ3-O 3.27Å; W590-G594 WeakPolarHBondContact CZ3-O 3.42Å; W590-V597 HydrophobicContact CD2-CG2 3.5Å; W590-V597 VanDerWaalsContact CD2-CG2 3.5Å; W590-V597 HydrophobicContact CE3-CG2 3.42Å; W590-V597 VanDerWaalsContact CE3-CG2 3.42Å; W590-V597 HydrophobicContact CG-CG2 4.21Å; W590-V597 HydrophobicContact CH2-CG2 3.76Å; W590-V597 HydrophobicContact CZ2-CG2 3.82Å; W590-V597 HydrophobicContact CZ3-CG2 3.56Å; W590-V611 HydrophobicContact CH2-CG1 4.29Å; W590-V611 HydrophobicContact CH2-CG2 3.93Å; W590-V611 HydrophobicContact CZ3-CB 4.24Å; W590-V611 HydrophobicContact CZ3-CG1 4.29Å; W590-V611 HydrophobicContact CZ3-CG2 3.69Å
591	N	92.9	Very high	89.7	Confident	12 Å²	12	28.7 Å²	28.7	6%	0.064	17%	0.168	C	C	.	.			trans	-65.8	154.9	165.6	-169.7	3.2	0	0	0	109.9	W274 P531 A593 G594 H596	W274-N591 HydrophobicContact CD2-CB 4.11Å; W274-N591 HydrophobicContact CE3-CB 4.48Å; W274-N591 HydrophobicContact CG-CB 4.45Å; W274-N591 HydrophobicContact CZ2-CB 4.31Å; P531-N591 WeakPolarHBondContact CG-O 3.43Å; N591-A593 PolarHBondContact O-N 3.5Å; N591-A593 VanDerWaalsContact O-N 3.11Å; N591-G594 PolarHBondContact O-N 3.48Å; N591-H596 HydrophobicContact CB-CB 4.13Å; N591-H596 PolarHBondContact N-O 3.31Å
592	T	88.7	Confident	91.3	Very high	63 Å²	63	25.5 Å²	25.5	39%	0.387	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.4	-178.8	56.6	0	0	0	0	113.8	T276	T276-T592 HydrophobicContact CG2-CG2 3.92Å
593	A	88.5	Confident	92.3	Very high	52 Å²	52	26.1 Å²	26.1	43%	0.43	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-8.6	176.9	0	0	0	0	0	114	V532 N591 T595	V532-A593 WeakPolarHBondContact CG2-O 3.48Å; N591-A593 PolarHBondContact O-N 3.5Å; N591-A593 VanDerWaalsContact O-N 3.11Å; A593-T595 HydrophobicContact CB-CG2 4.4Å; A593-T595 PolarHBondContact O-N 2.97Å
594	G	88.7	Confident	92.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	73.9	4.2	-177.8	0	0	0	0	0	115.5	W590 N591 S616	W590-G594 VanDerWaalsContact CZ3-O 3.27Å; W590-G594 WeakPolarHBondContact CZ3-O 3.42Å; N591-G594 PolarHBondContact O-N 3.48Å; G594-S616 WeakPolarHBondContact O-CB 3.25Å
595	T	91.3	Very high	92.4	Very high	44 Å²	44	28.5 Å²	28.5	27%	0.27	15%	0.148	S	C	.	.	S	Bend	trans	-88.2	-21.3	-177.1	54.8	0	0	0	0	114.3	A593 V611	A593-T595 HydrophobicContact CB-CG2 4.4Å; A593-T595 PolarHBondContact O-N 2.97Å; T595-V611 PolarHBondContact O-N 3.06Å
596	H	93.6	Very high	92.4	Very high	47 Å²	47	28.3 Å²	28.3	22%	0.218	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.9	-176.7	-64.1	73.8	0	0	0	110.8	N591 V608 C609	N591-H596 HydrophobicContact CB-CB 4.13Å; N591-H596 PolarHBondContact N-O 3.31Å; H596-V608 HydrophobicContact CB-CG1 3.88Å; H596-C609 CarbonylContact C-O 3.54Å; H596-C609 VanDerWaalsContact CA-O 3.26Å; H596-C609 WeakPolarHBondContact CA-O 3.42Å
597	V	95.3	Very high	92.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115	173.2	-177.6	0	0	0	0	108.4	L546 I548 C588 W590 V599 V608 C609 V611	L546-V597 HydrophobicContact CD1-CG1 4.1Å; L546-V597 HydrophobicContact CD2-CB 4.42Å; L546-V597 HydrophobicContact CD2-CG1 4.23Å; I548-V597 HydrophobicContact CD1-CG2 4.31Å; C588-V597 HydrophobicContact CB-CG1 4.2Å; W590-V597 HydrophobicContact CD2-CG2 3.5Å; W590-V597 VanDerWaalsContact CD2-CG2 3.5Å; W590-V597 HydrophobicContact CE3-CG2 3.42Å; W590-V597 VanDerWaalsContact CE3-CG2 3.42Å; W590-V597 HydrophobicContact CG-CG2 4.21Å; W590-V597 HydrophobicContact CH2-CG2 3.76Å; W590-V597 HydrophobicContact CZ2-CG2 3.82Å; W590-V597 HydrophobicContact CZ3-CG2 3.56Å; V597-V599 HydrophobicContact CG1-CG2 4.09Å; V597-V608 WeakPolarHBondContact O-CA 3.43Å; V597-C609 PolarHBondContact N-O 3.45Å; V597-C609 PolarHBondContact O-N 3.24Å; V597-V611 HydrophobicContact CG2-CG2 3.71Å
598	A	95.1	Very high	92.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	136.3	167.9	0	0	0	0	0	109.3	L272 W274 L282 C588 R589 V608	L272-A598 HydrophobicContact CD1-CB 4.29Å; W274-A598 HydrophobicContact CZ2-CB 3.56Å; L282-A598 HydrophobicContact CD1-CB 3.82Å; L282-A598 HydrophobicContact CD2-CB 3.64Å; L282-A598 HydrophobicContact CG-CB 4.41Å; C588-A598 CarbonylContact C-O 3.58Å; C588-A598 WeakPolarHBondContact CA-O 2.96Å; R589-A598 PolarHBondContact N-O 3.01Å; R589-A598 PolarHBondContact O-N 2.94Å; A598-V608 HydrophobicContact CB-CG2 4.24Å
599	V	95.4	Very high	92.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.8	175.4	-170.8	0	0	0	0	108.8	V540 L546 L564 L585 K587 C588 V597 V606 T607	V540-V599 HydrophobicContact CG2-CG1 4.19Å; L546-V599 HydrophobicContact CB-CG2 4.43Å; L546-V599 HydrophobicContact CD1-CG2 3.84Å; L546-V599 HydrophobicContact CD2-CG2 3.79Å; L546-V599 HydrophobicContact CG-CG2 4.22Å; L564-V599 HydrophobicContact CD1-CB 3.9Å; L564-V599 HydrophobicContact CD1-CG1 4.02Å; L564-V599 HydrophobicContact CD1-CG2 3.93Å; L585-V599 HydrophobicContact CB-CG1 4.09Å; L585-V599 HydrophobicContact CD1-CG1 3.82Å; L585-V599 HydrophobicContact CD2-CG1 3.73Å; L585-V599 HydrophobicContact CG-CG1 4.06Å; K587-V599 CarbonylContact O-C 3.59Å; K587-V599 VanDerWaalsContact O-CA 3.31Å; K587-V599 WeakPolarHBondContact O-CA 3.44Å; C588-V599 HydrophobicContact CB-CG2 4.32Å; V597-V599 HydrophobicContact CG1-CG2 4.09Å; V599-V606 CarbonylContact O-C 3.39Å; V599-V606 WeakPolarHBondContact O-CA 3.31Å; V599-T607 PolarHBondContact N-O 3.33Å; V599-T607 PolarHBondContact O-N 3.36Å
600	G	93.5	Very high	92	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.5	177.8	0	0	0	0	0	110.3	I269 N586 K587	I269-G600 VanDerWaalsContact CD1-CA 3.43Å; N586-G600 PolarHBondContact N-O 3.04Å; K587-G600 PolarHBondContact N-O 3.04Å; K587-G600 PolarHBondContact O-N 3.4Å
601	D	92.2	Very high	91.9	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.027	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-176.8	178.8	74.2	-0.6	0	0	0	113.9	I269 V583 A584 L585 T603 G604 R605	I269-D601 PolarHBondContact N-O 2.84Å; I269-D601 VanDerWaalsContact N-O 3.12Å; V583-D601 HydrophobicContact CG1-CB 3.38Å; V583-D601 WeakPolarHBondContact CG1-OD2 3.35Å; A584-D601 CarbonylContact O-C 3.6Å; A584-D601 WeakPolarHBondContact O-CA 3.29Å; L585-D601 HydrophobicContact CD2-CB 3.97Å; D601-T603 PolarHBondContact OD1-N 2.85Å; D601-T603 VanDerWaalsContact OD1-N 3.14Å; D601-T603 PolarHBondContact OD2-OG1 3.48Å; D601-G604 VanDerWaalsContact OD1-CA 3.31Å; D601-G604 WeakPolarHBondContact OD1-CA 3.4Å; D601-G604 PolarHBondContact OD1-N 3.25Å; D601-R605 PolarHBondContact N-O 2.88Å; D601-R605 VanDerWaalsContact N-O 3.16Å; D601-R605 PolarHBondContact OD1-N 3.46Å; D601-R605 VanDerWaalsContact OD2-CB 3.29Å; D601-R605 WeakPolarHBondContact OD2-CB 3.28Å
602	D	89.4	Confident	91.7	Very high	62 Å²	62	25.7 Å²	25.7	33%	0.332	14%	0.142	S	C	.	.	S	Bend	trans	-82.1	-20.3	173.1	70.8	-38.2	0	0	0	113.5	R267 T268 A584	R267-D602 CarbonylContact C-O 3.56Å; T268-D602 WeakPolarHBondContact CA-O 3.45Å; T268-D602 HydrophobicContact CG2-CB 4.11Å; T268-D602 WeakPolarHBondContact CG2-O 3.48Å; A584-D602 HydrophobicContact CB-CB 4.46Å; A584-D602 PolarHBondContact N-OD1 2.86Å; A584-D602 PolarHBondContact O-N 2.82Å
603	T	88.8	Confident	91.5	Very high	42 Å²	42	28.4 Å²	28.4	26%	0.258	15%	0.15	S	C	.	.	S	Bend	trans	-86.9	-11.4	-179.8	80	0	0	0	0	114.7	H266 V583 D601	H266-T603 PolarHBondContact N-O 2.83Å; H266-T603 VanDerWaalsContact N-O 3.13Å; V583-T603 HydrophobicContact CG1-CG2 4.21Å; V583-T603 HydrophobicContact CG2-CG2 3.98Å; D601-T603 PolarHBondContact OD1-N 2.85Å; D601-T603 VanDerWaalsContact OD1-N 3.14Å; D601-T603 PolarHBondContact OD2-OG1 3.48Å
604	G	88.2	Confident	91.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	95.2	18.1	178.3	0	0	0	0	0	115.7	S264 R267 Y286 D601	S264-G604 WeakPolarHBondContact CB-O 3.26Å; S264-G604 WeakPolarHBondContact O-CA 3.36Å; S264-G604 PolarHBondContact OG-O 2.95Å; R267-G604 WeakPolarHBondContact O-CA 3.11Å; R267-G604 PolarHBondContact O-N 2.72Å; R267-G604 VanDerWaalsContact O-N 3.09Å; Y286-G604 WeakPolarHBondContact CE1-O 3.34Å; Y286-G604 PolarHBondContact OH-O 3.38Å; D601-G604 VanDerWaalsContact OD1-CA 3.31Å; D601-G604 WeakPolarHBondContact OD1-CA 3.4Å; D601-G604 PolarHBondContact OD1-N 3.25Å
605	R	90.9	Very high	91.2	Very high	93 Å²	93	29.6 Å²	29.6	35%	0.351	16%	0.155	S	C	.	.			trans	-88.8	141.4	169.4	-57.3	172	171.1	-126.8	-5	110.7	F259 I269 D601	F259-R605 HydrophobicContact CB-CG 4.19Å; F259-R605 HydrophobicContact CD2-CB 4.39Å; F259-R605 HydrophobicContact CD2-CG 3.44Å; F259-R605 VanDerWaalsContact CD2-CG 3.44Å; F259-R605 HydrophobicContact CE2-CG 4.1Å; F259-R605 HydrophobicContact CG-CG 4.05Å; I269-R605 WeakPolarHBondContact CD1-O 3.43Å; D601-R605 PolarHBondContact N-O 2.88Å; D601-R605 VanDerWaalsContact N-O 3.16Å; D601-R605 PolarHBondContact OD1-N 3.46Å; D601-R605 VanDerWaalsContact OD2-CB 3.29Å; D601-R605 WeakPolarHBondContact OD2-CB 3.28Å
606	V	92.7	Very high	90.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.5	176.1	-177.4	0	0	0	0	107.4	E257 F258 I269 L272 L282 T284 Y286 V599	E257-V606 WeakPolarHBondContact CA-O 3.47Å; F258-V606 HydrophobicContact CB-CB 4.29Å; F258-V606 PolarHBondContact N-O 3.34Å; F258-V606 PolarHBondContact O-N 2.78Å; I269-V606 HydrophobicContact CD1-CG2 3.5Å; I269-V606 VanDerWaalsContact CD1-CG2 3.5Å; I269-V606 HydrophobicContact CG1-CG2 4.45Å; L272-V606 HydrophobicContact CD2-CG1 4.39Å; L282-V606 HydrophobicContact CD2-CG1 3.56Å; T284-V606 HydrophobicContact CG2-CB 4.32Å; T284-V606 HydrophobicContact CG2-CG1 4.01Å; T284-V606 HydrophobicContact CG2-CG2 3.44Å; T284-V606 VanDerWaalsContact CG2-CG2 3.44Å; Y286-V606 WeakPolarHBondContact OH-CG2 3.49Å; V599-V606 CarbonylContact O-C 3.39Å; V599-V606 WeakPolarHBondContact O-CA 3.31Å
607	T	92.2	Very high	90.4	Very high	10 Å²	10	30.8 Å²	30.8	6%	0.061	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.7	177.7	-58.4	0	0	0	0	108.7	V254 E257 L564 V599	V254-T607 HydrophobicContact CB-CG2 4.42Å; V254-T607 HydrophobicContact CG1-CG2 3.67Å; V254-T607 HydrophobicContact CG2-CG2 3.89Å; E257-T607 HydrophobicContact CG-CG2 3.98Å; L564-T607 HydrophobicContact CD1-CG2 4.38Å; L564-T607 HydrophobicContact CD2-CG2 4.04Å; V599-T607 PolarHBondContact N-O 3.33Å; V599-T607 PolarHBondContact O-N 3.36Å
608	V	93.4	Very high	89.8	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.3	174.1	-173.1	0	0	0	0	109	S255 N256 F258 W274 L282 M305 H596 V597 A598	S255-V608 PolarHBondContact N-O 3.49Å; S255-V608 PolarHBondContact OG-O 3.3Å; N256-V608 HydrophobicContact CB-CB 4.37Å; N256-V608 PolarHBondContact N-O 2.76Å; N256-V608 PolarHBondContact O-N 3.32Å; F258-V608 HydrophobicContact CD2-CG2 4.4Å; F258-V608 HydrophobicContact CE2-CG2 4.05Å; W274-V608 HydrophobicContact CH2-CG1 3.99Å; W274-V608 HydrophobicContact CH2-CG2 4.32Å; W274-V608 HydrophobicContact CZ2-CG1 4.06Å; W274-V608 HydrophobicContact CZ2-CG2 4.47Å; L282-V608 HydrophobicContact CD2-CG2 3.99Å; M305-V608 HydrophobicContact CE-CB 3.85Å; M305-V608 HydrophobicContact CE-CG1 3.45Å; M305-V608 VanDerWaalsContact CE-CG1 3.45Å; M305-V608 HydrophobicContact CE-CG2 4.25Å; M305-V608 HydrophobicContact SD-CB 3.98Å; M305-V608 HydrophobicContact SD-CG1 3.99Å; M305-V608 HydrophobicContact SD-CG2 3.7Å; H596-V608 HydrophobicContact CB-CG1 3.88Å; V597-V608 WeakPolarHBondContact O-CA 3.43Å; A598-V608 HydrophobicContact CB-CG2 4.24Å
609	C	93.2	Very high	89.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133.1	176.7	-61.9	0	0	0	0	109.9	L252 T253 L546 H596 V597	L252-C609 HydrophobicContact CD2-CB 4.47Å; T253-C609 CarbonylContact O-C 3.58Å; T253-C609 VanDerWaalsContact O-CA 3.27Å; T253-C609 WeakPolarHBondContact O-CA 3.1Å; L546-C609 HydrophobicContact CD2-CB 3.97Å; H596-C609 CarbonylContact C-O 3.54Å; H596-C609 VanDerWaalsContact CA-O 3.26Å; H596-C609 WeakPolarHBondContact CA-O 3.42Å; V597-C609 PolarHBondContact N-O 3.45Å; V597-C609 PolarHBondContact O-N 3.24Å
610	S	92.7	Very high	88.7	Confident	34 Å²	34	42.1 Å²	42.1	24%	0.238	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.8	165.7	-174.1	0	0	0	0	108.8	T253	T253-S610 PolarHBondContact N-O 3.07Å; T253-S610 VanDerWaalsContact N-O 3.1Å; T253-S610 PolarHBondContact O-N 2.85Å
611	V	92.7	Very high	88.3	Confident	5 Å²	5	47 Å²	47	3%	0.03	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132	176.3	-179.4	0	0	0	0	107.9	L252 W590 T595 V597 L615	L252-V611 HydrophobicContact CD2-CG2 3.85Å; W590-V611 HydrophobicContact CH2-CG1 4.29Å; W590-V611 HydrophobicContact CH2-CG2 3.93Å; W590-V611 HydrophobicContact CZ3-CB 4.24Å; W590-V611 HydrophobicContact CZ3-CG1 4.29Å; W590-V611 HydrophobicContact CZ3-CG2 3.69Å; T595-V611 PolarHBondContact O-N 3.06Å; V597-V611 HydrophobicContact CG2-CG2 3.71Å; V611-L615 HydrophobicContact CG1-CB 3.7Å; V611-L615 HydrophobicContact CG1-CD1 4.35Å
612	H	89.7	Confident	88	Confident	82 Å²	82	48 Å²	48	38%	0.38	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-58.4	151.2	-179.6	-176.9	-102.9	0	0	0	112.4	L251 S614 L615 S616	L251-H612 HydrophobicContact CD2-CB 4.09Å; L251-H612 PolarHBondContact O-N 3.19Å; H612-S614 WeakPolarHBondContact ND1-CB 3.4Å; H612-S614 PolarHBondContact ND1-N 2.89Å; H612-S614 PolarHBondContact ND1-OG 3.19Å; H612-S614 PolarHBondContact O-N 2.75Å; H612-S614 VanDerWaalsContact O-N 3.13Å; H612-L615 PolarHBondContact O-N 3.34Å; H612-S616 PolarHBondContact O-N 2.86Å; H612-S616 VanDerWaalsContact O-N 3.14Å
613	E	85	Confident	87.9	Confident	119 Å²	119	46.7 Å²	46.7	56%	0.556	25%	0.25	S	C	*	.	H	α-helix	trans	-55.1	-38.4	-173.2	-173.1	168.6	-167.2	0	0	112.3	L615 S616 Q617	E613-L615 PolarHBondContact O-N 3Å; E613-L615 VanDerWaalsContact O-N 3.16Å; E613-S616 WeakPolarHBondContact CA-OG 3.08Å; E613-S616 PolarHBondContact O-N 3.46Å; E613-S616 VanDerWaalsContact O-N 3.16Å; E613-S616 PolarHBondContact O-OG 3.25Å; E613-S616 VanDerWaalsContact O-OG 3.14Å; E613-Q617 HydrophobicContact CG-CG 4.28Å; E613-Q617 PolarHBondContact O-N 3.1Å; E613-Q617 PolarHBondContact OE1-NE2 2.97Å; E613-Q617 PolarHBondContact OE1-OE1 3.33Å
614	S	84.9	Confident	87.8	Confident	71 Å²	71	46.7 Å²	46.7	50%	0.497	25%	0.251	S	S	.	.	H	α-helix	trans	-59	-26.3	-179.9	65.9	0	0	0	0	114.9	H612	H612-S614 WeakPolarHBondContact ND1-CB 3.4Å; H612-S614 PolarHBondContact ND1-N 2.89Å; H612-S614 PolarHBondContact ND1-OG 3.19Å; H612-S614 PolarHBondContact O-N 2.75Å; H612-S614 VanDerWaalsContact O-N 3.13Å
615	L	84.9	Confident	87.9	Confident	7 Å²	7	49 Å²	49	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-102.6	-24.3	178.1	-63.2	176.5	0	0	0	112	L251 I548 D550 V559 V611 H612 E613	L251-L615 HydrophobicContact CB-CD1 4.18Å; L251-L615 HydrophobicContact CD1-CD1 4.35Å; I548-L615 HydrophobicContact CG2-CD1 4.17Å; D550-L615 HydrophobicContact CB-CD2 4.36Å; V559-L615 HydrophobicContact CG1-CD1 4.38Å; V559-L615 HydrophobicContact CG1-CD2 4.18Å; V611-L615 HydrophobicContact CG1-CB 3.7Å; V611-L615 HydrophobicContact CG1-CD1 4.35Å; H612-L615 PolarHBondContact O-N 3.34Å; E613-L615 PolarHBondContact O-N 3Å; E613-L615 VanDerWaalsContact O-N 3.16Å
616	S	82.9	Confident	87.8	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-80.9	-39.2	-176.6	72.5	0	0	0	0	113.2	G594 H612 E613	G594-S616 WeakPolarHBondContact O-CB 3.25Å; H612-S616 PolarHBondContact O-N 2.86Å; H612-S616 VanDerWaalsContact O-N 3.14Å; E613-S616 WeakPolarHBondContact CA-OG 3.08Å; E613-S616 PolarHBondContact O-N 3.46Å; E613-S616 VanDerWaalsContact O-N 3.16Å; E613-S616 PolarHBondContact O-OG 3.25Å; E613-S616 VanDerWaalsContact O-OG 3.14Å
617	Q	85.4	Confident	87.6	Confident	113 Å²	113	46.2 Å²	46.2	53%	0.528	26%	0.264	S	S	.	.	S	Bend	trans	-104.3	113.9	-176.4	-69.1	-174.2	31.1	0	0	110.5	E613	E613-Q617 HydrophobicContact CG-CG 4.28Å; E613-Q617 PolarHBondContact O-N 3.1Å; E613-Q617 PolarHBondContact OE1-NE2 2.97Å; E613-Q617 PolarHBondContact OE1-OE1 3.33Å
618	P	83.2	Confident	87.5	Confident	38 Å²	38	51.8 Å²	51.8	25%	0.247	29%	0.289	C	S	.	.			trans	-74.2	138.7	176.5	30.1	-34.5	0	0	0	111.8	V532 H533	V532-P618 HydrophobicContact CG1-CG 3.93Å; H533-P618 HydrophobicContact CB-CB 4.39Å
619	V	84.8	Confident	87.4	Confident	87 Å²	87	53.3 Å²	53.3	53%	0.527	30%	0.299	S	S	.	.			trans	-80.7	155.2	164.7	-173.2	0	0	0	0	109.1	D621 D622	V619-D621 PolarHBondContact O-N 2.99Å; V619-D622 WeakPolarHBondContact CA-OD2 3.47Å; V619-D622 WeakPolarHBondContact CB-OD2 3.19Å; V619-D622 PolarHBondContact N-OD2 3.15Å; V619-D622 WeakPolarHBondContact O-CB 3.44Å; V619-D622 PolarHBondContact O-N 3.09Å; V619-D622 VanDerWaalsContact O-N 3.12Å
620	T	81.1	Confident	87.3	Confident	114 Å²	114	54.3 Å²	54.3	70%	0.699	30%	0.304	S	S	*	.	H	α-helix	trans	-57.7	-32.3	178.4	50	0	0	0	0	113.1	D622	T620-D622 VanDerWaalsContact C-N 3.29Å; T620-D622 PolarHBondContact O-N 2.97Å
621	D	86.3	Confident	87.1	Confident	101 Å²	101	54.7 Å²	54.7	54%	0.54	31%	0.309	S	S	.	.	H	α-helix	trans	-72.2	-23.6	-177.7	-64.6	-3	0	0	0	111.9	V619 W623 S624 S625	V619-D621 PolarHBondContact O-N 2.99Å; D621-W623 PolarHBondContact O-N 2.6Å; D621-S624 PolarHBondContact O-N 3.09Å; D621-S624 VanDerWaalsContact O-N 3.09Å; D621-S624 PolarHBondContact O-OG 3.28Å; D621-S625 PolarHBondContact O-N 3.35Å; D621-S625 PolarHBondContact O-OG 3.14Å; D621-S625 VanDerWaalsContact O-OG 3.09Å
622	D	86.5	Confident	87	Confident	28 Å²	28	58.6 Å²	58.6	15%	0.15	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-29.7	-179.9	-65.3	-34.2	0	0	0	112.4	H533 N552 V619 T620 F626	H533-D622 IonicContact NE2-OD2 3.37Å; N552-D622 PolarHBondContact ND2-O 3.5Å; V619-D622 WeakPolarHBondContact CA-OD2 3.47Å; V619-D622 WeakPolarHBondContact CB-OD2 3.19Å; V619-D622 PolarHBondContact N-OD2 3.15Å; V619-D622 WeakPolarHBondContact O-CB 3.44Å; V619-D622 PolarHBondContact O-N 3.09Å; V619-D622 VanDerWaalsContact O-N 3.12Å; T620-D622 VanDerWaalsContact C-N 3.29Å; T620-D622 PolarHBondContact O-N 2.97Å; D622-F626 WeakPolarHBondContact O-CB 3.24Å; D622-F626 PolarHBondContact O-N 3.49Å
623	W	86	Confident	86.9	Confident	34 Å²	34	55.8 Å²	55.8	13%	0.129	32%	0.317	C	S	.	.	H	α-helix	trans	-68.5	-41.5	175.1	-66.5	83.7	0	0	0	111.9	P485 F488 F490 P534 D621 A627	P485-W623 WeakPolarHBondContact O-CH2 3.31Å; P485-W623 VanDerWaalsContact O-CZ2 3.23Å; P485-W623 WeakPolarHBondContact O-CZ2 3.39Å; F488-W623 HydrophobicContact CD2-CB 4Å; F488-W623 HydrophobicContact CE2-CB 4.34Å; F490-W623 AromaticContact CD2-CE3 3.79Å; F490-W623 HydrophobicContact CD2-CE3 3.79Å; F490-W623 AromaticContact CD2-CZ3 3.77Å; F490-W623 HydrophobicContact CD2-CZ3 3.77Å; F490-W623 AromaticContact CE2-CE3 3.57Å; F490-W623 HydrophobicContact CE2-CE3 3.57Å; F490-W623 HydrophobicContact CE2-CZ3 4.07Å; P534-W623 HydrophobicContact CB-CD2 3.94Å; P534-W623 HydrophobicContact CB-CE3 3.76Å; P534-W623 HydrophobicContact CB-CH2 3.74Å; P534-W623 HydrophobicContact CB-CZ2 3.96Å; P534-W623 HydrophobicContact CB-CZ3 3.66Å; P534-W623 HydrophobicContact CG-CD2 3.73Å; P534-W623 HydrophobicContact CG-CE3 4.1Å; P534-W623 HydrophobicContact CG-CG 4.09Å; P534-W623 HydrophobicContact CG-CH2 4.29Å; P534-W623 HydrophobicContact CG-CZ2 3.99Å; P534-W623 HydrophobicContact CG-CZ3 4.35Å; D621-W623 PolarHBondContact O-N 2.6Å; W623-A627 PolarHBondContact O-N 2.98Å
624	S	88.2	Confident	86.8	Confident	41 Å²	41	52.6 Å²	52.6	29%	0.287	30%	0.302	S	S	.	.	H	α-helix	trans	-71.8	-44.4	175.4	38.7	0	0	0	0	111.8	D621 F626 A627 H628	D621-S624 PolarHBondContact O-N 3.09Å; D621-S624 VanDerWaalsContact O-N 3.09Å; D621-S624 PolarHBondContact O-OG 3.28Å; S624-F626 VanDerWaalsContact C-N 3.29Å; S624-F626 PolarHBondContact O-N 2.95Å; S624-A627 WeakPolarHBondContact O-CB 3.28Å; S624-A627 PolarHBondContact O-N 3.01Å; S624-A627 VanDerWaalsContact O-N 3.12Å; S624-H628 PolarHBondContact O-CD2 3.16Å; S624-H628 PolarHBondContact O-N 3.08Å
625	S	89.2	Confident	86.8	Confident	49 Å²	49	55 Å²	55	34%	0.343	31%	0.305	S	S	.	.	H	α-helix	trans	-57.8	-44.6	176.3	-61.8	0	0	0	0	110.7	D621 A627 H628 V629	D621-S625 PolarHBondContact O-N 3.35Å; D621-S625 PolarHBondContact O-OG 3.14Å; D621-S625 VanDerWaalsContact O-OG 3.09Å; S625-A627 VanDerWaalsContact C-N 3.32Å; S625-A627 PolarHBondContact O-N 3.03Å; S625-H628 WeakPolarHBondContact O-CB 3.45Å; S625-H628 PolarHBondContact O-N 3.37Å; S625-H628 VanDerWaalsContact O-N 3.08Å; S625-V629 WeakPolarHBondContact O-CG2 3.4Å; S625-V629 PolarHBondContact O-N 3.34Å
626	F	89.8	Confident	86.5	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-37.5	177.2	-175.4	-124.1	0	0	0	112.6	F490 L493 W529 P534 A535 M551 N552 D622 S624 H628 V629 L630	F490-F626 HydrophobicContact CD1-CD1 4.12Å; F490-F626 HydrophobicContact CD1-CE1 4.01Å; F490-F626 HydrophobicContact CD2-CD1 4.06Å; F490-F626 HydrophobicContact CD2-CE1 4.33Å; F490-F626 AromaticContact CE1-CD1 3.81Å; F490-F626 HydrophobicContact CE1-CD1 3.81Å; F490-F626 HydrophobicContact CE1-CE1 4.11Å; F490-F626 AromaticContact CE2-CD1 3.72Å; F490-F626 HydrophobicContact CE2-CD1 3.72Å; F490-F626 HydrophobicContact CE2-CE1 4.41Å; F490-F626 HydrophobicContact CG-CD1 4.26Å; F490-F626 HydrophobicContact CG-CE1 4.14Å; F490-F626 HydrophobicContact CZ-CB 4.5Å; F490-F626 AromaticContact CZ-CD1 3.6Å; F490-F626 HydrophobicContact CZ-CD1 3.6Å; F490-F626 HydrophobicContact CZ-CE1 4.32Å; F490-F626 HydrophobicContact CZ-CG 4.47Å; L493-F626 HydrophobicContact CD1-CE1 3.77Å; L493-F626 HydrophobicContact CD1-CZ 3.88Å; W529-F626 HydrophobicContact CH2-CE1 4.42Å; W529-F626 AromaticContact CH2-CZ 3.97Å; W529-F626 HydrophobicContact CH2-CZ 3.97Å; P534-F626 HydrophobicContact CB-CD1 4.35Å; P534-F626 WeakPolarHBondContact O-CD1 3.49Å; P534-F626 VanDerWaalsContact O-CE1 3.29Å; P534-F626 WeakPolarHBondContact O-CE1 3.47Å; A535-F626 HydrophobicContact CB-CB 4.12Å; A535-F626 HydrophobicContact CB-CD2 3.52Å; A535-F626 HydrophobicContact CB-CE2 4.15Å; A535-F626 HydrophobicContact CB-CG 3.86Å; M551-F626 HydrophobicContact CB-CD2 4.35Å; M551-F626 HydrophobicContact CB-CE2 4.15Å; M551-F626 HydrophobicContact CE-CD2 4.3Å; M551-F626 HydrophobicContact CE-CE2 3.29Å; M551-F626 HydrophobicContact CE-CZ 3.63Å; M551-F626 HydrophobicContact SD-CE2 3.82Å; M551-F626 HydrophobicContact SD-CZ 4.44Å; N552-F626 WeakPolarHBondContact OD1-CA 3.5Å; N552-F626 VanDerWaalsContact OD1-CB 3.31Å; N552-F626 WeakPolarHBondContact OD1-CB 3.38Å; N552-F626 PolarHBondContact OD1-N 3.38Å; N552-F626 VanDerWaalsContact OD1-N 3.11Å; D622-F626 WeakPolarHBondContact O-CB 3.24Å; D622-F626 PolarHBondContact O-N 3.49Å; S624-F626 VanDerWaalsContact C-N 3.29Å; S624-F626 PolarHBondContact O-N 2.95Å; F626-H628 VanDerWaalsContact C-N 3.32Å; F626-H628 PolarHBondContact O-N 3.08Å; F626-V629 PolarHBondContact O-N 3.47Å; F626-L630 VanDerWaalsContact O-CB 3.25Å; F626-L630 WeakPolarHBondContact O-CB 3.45Å; F626-L630 PolarHBondContact O-N 3.09Å
627	A	88.3	Confident	85.7	Confident	34 Å²	34	66 Å²	66	28%	0.281	35%	0.35	S	S	.	.	H	α-helix	trans	-63.9	-37.3	173.7	0	0	0	0	0	112.4	F490 W623 S624 S625 A631	F490-A627 HydrophobicContact CE1-CB 4.22Å; F490-A627 HydrophobicContact CZ-CB 3.99Å; W623-A627 PolarHBondContact O-N 2.98Å; S624-A627 WeakPolarHBondContact O-CB 3.28Å; S624-A627 PolarHBondContact O-N 3.01Å; S624-A627 VanDerWaalsContact O-N 3.12Å; S625-A627 VanDerWaalsContact C-N 3.32Å; S625-A627 PolarHBondContact O-N 3.03Å; A627-A631 PolarHBondContact O-N 3.35Å; A627-A631 VanDerWaalsContact O-N 3.15Å
628	H	90.4	Very high	84.6	Confident	127 Å²	127	66.3 Å²	66.3	59%	0.588	35%	0.353	S	S	*	.	H	α-helix	trans	-67.9	-49.6	175	-72.9	-64.4	0	0	0	111.6	S624 S625 F626 L630 A631 D632	S624-H628 PolarHBondContact O-CD2 3.16Å; S624-H628 PolarHBondContact O-N 3.08Å; S625-H628 WeakPolarHBondContact O-CB 3.45Å; S625-H628 PolarHBondContact O-N 3.37Å; S625-H628 VanDerWaalsContact O-N 3.08Å; F626-H628 VanDerWaalsContact C-N 3.32Å; F626-H628 PolarHBondContact O-N 3.08Å; H628-L630 VanDerWaalsContact C-N 3.29Å; H628-L630 PolarHBondContact O-N 3.37Å; H628-A631 WeakPolarHBondContact O-CA 3.45Å; H628-A631 WeakPolarHBondContact O-CB 3.46Å; H628-A631 PolarHBondContact O-N 3.34Å; H628-D632 PolarHBondContact O-N 2.9Å
629	V	91.3	Very high	83.4	Confident	32 Å²	32	70.4 Å²	70.4	19%	0.194	37%	0.369	C	S	.	.	H	α-helix	trans	-57.2	-43.8	176.2	172.7	0	0	0	0	110.9	S625 F626 A631 D632 L633	S625-V629 WeakPolarHBondContact O-CG2 3.4Å; S625-V629 PolarHBondContact O-N 3.34Å; F626-V629 PolarHBondContact O-N 3.47Å; V629-A631 VanDerWaalsContact C-N 3.28Å; V629-A631 PolarHBondContact O-N 3.47Å; V629-D632 PolarHBondContact O-N 3.12Å; V629-L633 HydrophobicContact CG1-CD1 3.89Å; V629-L633 HydrophobicContact CG1-CG 4.13Å; V629-L633 WeakPolarHBondContact O-CB 3.31Å; V629-L633 VanDerWaalsContact O-CG 3.28Å; V629-L633 WeakPolarHBondContact O-CG 3.24Å; V629-L633 PolarHBondContact O-N 3.41Å
630	L	89.5	Confident	82.1	Confident	22 Å²	22	69.6 Å²	69.6	12%	0.115	37%	0.365	C	S	.	.	H	α-helix	trans	-62.1	-35.6	176.9	-173.9	71.4	0	0	0	112.5	F490 L493 L505 I514 F626 H628 K634	F490-L630 HydrophobicContact CE1-CD2 4.47Å; L493-L630 HydrophobicContact CD1-CD1 4.3Å; L493-L630 HydrophobicContact CD1-CD2 4.01Å; L493-L630 HydrophobicContact CD2-CD1 4.16Å; L493-L630 HydrophobicContact CD2-CD2 4.32Å; L505-L630 HydrophobicContact CD2-CD1 4.02Å; I514-L630 HydrophobicContact CD1-CD1 3.96Å; I514-L630 HydrophobicContact CG2-CD1 4.12Å; F626-L630 VanDerWaalsContact O-CB 3.25Å; F626-L630 WeakPolarHBondContact O-CB 3.45Å; F626-L630 PolarHBondContact O-N 3.09Å; H628-L630 VanDerWaalsContact C-N 3.29Å; H628-L630 PolarHBondContact O-N 3.37Å; L630-K634 VanDerWaalsContact O-CG 3.24Å; L630-K634 WeakPolarHBondContact O-CG 3.48Å; L630-K634 PolarHBondContact O-N 2.88Å
631	A	89	Confident	80.7	Confident	41 Å²	41	68.4 Å²	68.4	34%	0.339	35%	0.352	S	S	.	.	H	α-helix	trans	-70.1	-42	175	0	0	0	0	0	111.2	A627 H628 V629 K634 H635	A627-A631 PolarHBondContact O-N 3.35Å; A627-A631 VanDerWaalsContact O-N 3.15Å; H628-A631 WeakPolarHBondContact O-CA 3.45Å; H628-A631 WeakPolarHBondContact O-CB 3.46Å; H628-A631 PolarHBondContact O-N 3.34Å; V629-A631 VanDerWaalsContact C-N 3.28Å; V629-A631 PolarHBondContact O-N 3.47Å; A631-K634 WeakPolarHBondContact O-CB 3.45Å; A631-K634 PolarHBondContact O-N 2.97Å; A631-H635 PolarHBondContact O-CD2 3.21Å; A631-H635 PolarHBondContact O-N 2.97Å; A631-H635 VanDerWaalsContact O-N 3.07Å
632	D	90.2	Very high	79.2	Confident	87 Å²	87	68.6 Å²	68.6	47%	0.465	36%	0.356	S	S	.	.	H	α-helix	trans	-65.4	-45	179.2	-66.1	-19.6	0	0	0	111.5	H628 V629 K634 H635 Y636	H628-D632 PolarHBondContact O-N 2.9Å; V629-D632 PolarHBondContact O-N 3.12Å; D632-K634 VanDerWaalsContact C-N 3.27Å; D632-K634 PolarHBondContact O-N 3.3Å; D632-H635 WeakPolarHBondContact O-CA 3.21Å; D632-H635 WeakPolarHBondContact O-CB 3.44Å; D632-H635 PolarHBondContact O-N 3.02Å; D632-Y636 WeakPolarHBondContact O-CD2 3.47Å; D632-Y636 PolarHBondContact O-N 3.28Å
633	L	87.6	Confident	77.6	Confident	23 Å²	23	75.2 Å²	75.2	12%	0.12	39%	0.386	C	S	.	.	H	α-helix	trans	-58	-40.3	175.4	-70.8	176.8	0	0	0	111.9	I514 H515 A555 V629 H635 Y636 E637	I514-L633 HydrophobicContact CG2-CB 4.17Å; H515-L633 HydrophobicContact CB-CD1 4.19Å; A555-L633 HydrophobicContact CB-CD2 4.4Å; V629-L633 HydrophobicContact CG1-CD1 3.89Å; V629-L633 HydrophobicContact CG1-CG 4.13Å; V629-L633 WeakPolarHBondContact O-CB 3.31Å; V629-L633 VanDerWaalsContact O-CG 3.28Å; V629-L633 WeakPolarHBondContact O-CG 3.24Å; V629-L633 PolarHBondContact O-N 3.41Å; L633-H635 VanDerWaalsContact C-N 3.31Å; L633-H635 PolarHBondContact O-N 3.35Å; L633-Y636 PolarHBondContact O-N 3.49Å; L633-E637 PolarHBondContact O-N 2.77Å
634	K	84.3	Confident	76.1	Confident	53 Å²	53	79.1 Å²	79.1	23%	0.23	41%	0.414	C	S	.	.	H	α-helix	trans	-66.1	-33	174.4	-73.6	176.5	177.6	-141.5	0	113.1	E510 I514 L630 A631 D632 M638	E510-K634 IonicContact OE1-NZ 3.97Å; E510-K634 PolarHBondContact OE1-NZ 3.47Å; E510-K634 IonicContact OE2-NZ 3.75Å; E510-K634 PolarHBondContact OE2-NZ 3Å; I514-K634 HydrophobicContact CG2-CG 3.92Å; L630-K634 VanDerWaalsContact O-CG 3.24Å; L630-K634 WeakPolarHBondContact O-CG 3.48Å; L630-K634 PolarHBondContact O-N 2.88Å; A631-K634 WeakPolarHBondContact O-CB 3.45Å; A631-K634 PolarHBondContact O-N 2.97Å; D632-K634 VanDerWaalsContact C-N 3.27Å; D632-K634 PolarHBondContact O-N 3.3Å; K634-M638 WeakPolarHBondContact O-CG 3.3Å
635	H	83.5	Confident	74.4	Confident	121 Å²	121	85.9 Å²	85.9	56%	0.56	44%	0.441	S	S	*	.	H	α-helix	trans	-72.5	-43.4	177.5	-79.6	-60	0	0	0	111.8	A631 D632 L633 E637 M638 E639	A631-H635 PolarHBondContact O-CD2 3.21Å; A631-H635 PolarHBondContact O-N 2.97Å; A631-H635 VanDerWaalsContact O-N 3.07Å; D632-H635 WeakPolarHBondContact O-CA 3.21Å; D632-H635 WeakPolarHBondContact O-CB 3.44Å; D632-H635 PolarHBondContact O-N 3.02Å; L633-H635 VanDerWaalsContact C-N 3.31Å; L633-H635 PolarHBondContact O-N 3.35Å; H635-E637 PolarHBondContact O-N 3.36Å; H635-M638 PolarHBondContact O-N 3.01Å; H635-M638 VanDerWaalsContact O-N 3.09Å; H635-E639 PolarHBondContact O-N 3.48Å
636	Y	78.2	Confident	72.4	Confident	161 Å²	161	90 Å²	90	63%	0.631	48%	0.479	S	S	*	.	H	α-helix	trans	-58.7	-34.9	178.1	-82.4	-66	0	0	0	113.2	D632 L633 P640	D632-Y636 WeakPolarHBondContact O-CD2 3.47Å; D632-Y636 PolarHBondContact O-N 3.28Å; L633-Y636 PolarHBondContact O-N 3.49Å; Y636-P640 WeakPolarHBondContact O-CD 3.5Å
637	E	67	Low	71.5	Confident	79 Å²	79	94.6 Å²	94.6	37%	0.369	50%	0.503	S	S	.	.	H	α-helix	trans	-78.7	-19.1	179.4	-154.4	-179	177.9	0	0	113.4	L633 H635 P640	L633-E637 PolarHBondContact O-N 2.77Å; H635-E637 PolarHBondContact O-N 3.36Å; E637-P640 VanDerWaalsContact O-CD 3.31Å; E637-P640 WeakPolarHBondContact O-CD 3.42Å; E637-P640 VanDerWaalsContact O-CG 3.24Å; E637-P640 WeakPolarHBondContact O-CG 3Å
638	M	62.8	Low	70.6	Confident	120 Å²	120	97.7 Å²	97.7	59%	0.591	51%	0.514	S	S	*	.	H	α-helix	trans	-78.9	-28	173.4	-70.4	-174.3	-175.1	0	0	112.8	K634 H635 E641	K634-M638 WeakPolarHBondContact O-CG 3.3Å; H635-M638 PolarHBondContact O-N 3.01Å; H635-M638 VanDerWaalsContact O-N 3.09Å; M638-E641 PolarHBondContact O-N 3.27Å
639	E	58.4	Low	69.5	Low	125 Å²	125	96.1 Å²	96.1	58%	0.584	51%	0.51	S	S	*	.	H	α-helix	trans	-59.9	-44.1	178	-67.8	-169.5	158.3	0	0	115.1	H635 E641 V642 E643	H635-E639 PolarHBondContact O-N 3.48Å; E639-E641 PolarHBondContact O-N 3.49Å; E639-E641 VanDerWaalsContact O-N 3.16Å; E639-V642 PolarHBondContact O-N 3.44Å; E639-V642 VanDerWaalsContact O-N 3.09Å; E639-E643 PolarHBondContact O-N 3.33Å
640	P	56.2	Low	68.2	Low	70 Å²	70	99.9 Å²	99.9	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-63.8	-20.2	178.7	23.7	-34.9	0	0	0	113.8	Y636 E637 T644	Y636-P640 WeakPolarHBondContact O-CD 3.5Å; E637-P640 VanDerWaalsContact O-CD 3.31Å; E637-P640 WeakPolarHBondContact O-CD 3.42Å; E637-P640 VanDerWaalsContact O-CG 3.24Å; E637-P640 WeakPolarHBondContact O-CG 3Å; P640-T644 PolarHBondContact O-N 3.42Å; P640-T644 PolarHBondContact O-OG1 3.11Å
641	E	51.7	Low	66.9	Low	88 Å²	88	104.8 Å²	104.8	41%	0.411	56%	0.555	S	S	.	*	H	α-helix	trans	-74	-37.1	173.9	-65.6	-169.7	160.7	0	0	111.7	K512 M638 E639 E643 T644 E645	K512-E641 IonicContact NZ-OE1 2.77Å; K512-E641 PolarHBondContact NZ-OE1 3.4Å; M638-E641 PolarHBondContact O-N 3.27Å; E639-E641 PolarHBondContact O-N 3.49Å; E639-E641 VanDerWaalsContact O-N 3.16Å; E641-E643 VanDerWaalsContact C-N 3.26Å; E641-E643 PolarHBondContact O-N 2.98Å; E641-T644 WeakPolarHBondContact CA-OG1 3.49Å; E641-T644 PolarHBondContact O-N 3.16Å; E641-T644 VanDerWaalsContact O-N 3.12Å; E641-T644 PolarHBondContact O-OG1 3.29Å; E641-E645 PolarHBondContact O-N 3.36Å
642	V	55.4	Low	65.4	Low	106 Å²	106	109 Å²	109	64%	0.642	57%	0.569	S	S	*	*	H	α-helix	trans	-66.2	-31.8	179.2	-175.9	0	0	0	0	111.2	E639 A646	E639-V642 PolarHBondContact O-N 3.44Å; E639-V642 VanDerWaalsContact O-N 3.09Å; V642-A646 VanDerWaalsContact O-CB 3.3Å; V642-A646 WeakPolarHBondContact O-CB 3.48Å; V642-A646 PolarHBondContact O-N 3.49Å
643	E	53	Low	63.7	Low	166 Å²	166	110.6 Å²	110.6	78%	0.776	58%	0.577	S	S	*	*	H	α-helix	trans	-76.9	-21.8	174.7	-68.6	-164.9	157.8	0	0	114	E639 E641	E639-E643 PolarHBondContact O-N 3.33Å; E641-E643 VanDerWaalsContact C-N 3.26Å; E641-E643 PolarHBondContact O-N 2.98Å
644	T	54.5	Low	61.8	Low	117 Å²	117	117.3 Å²	117.3	72%	0.718	61%	0.612	S	S	*	*	H	α-helix	trans	-94.8	-21.4	179.3	41.7	0	0	0	0	113.7	P640 E641	P640-T644 PolarHBondContact O-N 3.42Å; P640-T644 PolarHBondContact O-OG1 3.11Å; E641-T644 WeakPolarHBondContact CA-OG1 3.49Å; E641-T644 PolarHBondContact O-N 3.16Å; E641-T644 VanDerWaalsContact O-N 3.12Å; E641-T644 PolarHBondContact O-OG1 3.29Å
645	E	51.5	Low	60	Low	182 Å²	182	122.7 Å²	122.7	85%	0.85	64%	0.643	S	S	*	*	H	α-helix	trans	-88.1	-15.7	170.9	-69	-164.5	159.6	0	0	114.2	E641	E641-E645 PolarHBondContact O-N 3.36Å
646	A	47.4	Very low	57.8	Low	137 Å²	137	122.8 Å²	122.8	100%	1.132	65%	0.651	S	S	*	*			trans	-84.6	0	173.6	0	0	0	0	0	112.4	V642	V642-A646 VanDerWaalsContact O-CB 3.3Å; V642-A646 WeakPolarHBondContact O-CB 3.48Å; V642-A646 PolarHBondContact O-N 3.49Å

Retrieved 646 of 646 residues in 130.9 ms (Link to these results)

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