A0A3Q0KET4_SCHMA Loading...

Endoplasmic reticulum-Golgi intermediate compartment protein 3

AlphaFold DB , UniProt , Accession A0A3Q0KET4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 325 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	50.5	Low	68.3	Low	219 Å²	219	133.9 Å²	133.9	100%	1.079	68%	0.684	S	S	*	*				0	-41.3	0	-68.9	-170	-149.4	0	0	114	Y3 A4 M5	M1-Y3 VanDerWaalsContact C-N 3.35Å; M1-Y3 PolarHBondContact O-N 3.26Å; M1-A4 PolarHBondContact O-N 2.97Å; M1-M5 PolarHBondContact O-N 3.47Å
2	A	61.3	Low	69.1	Low	79 Å²	79	128.6 Å²	128.6	65%	0.653	66%	0.658	S	S	*	*	H	α-helix	trans	-58.7	-36.3	-175.7	0	0	0	0	0	115.2	M5 K6	A2-M5 PolarHBondContact O-N 3.09Å; A2-K6 PolarHBondContact O-N 3.37Å; A2-K6 VanDerWaalsContact O-N 3.13Å
3	Y	66.4	Low	69.8	Low	216 Å²	216	125.8 Å²	125.8	85%	0.847	67%	0.667	S	S	*	*	H	α-helix	trans	-65.5	-42.4	177.1	-97.2	-86.2	0	0	0	113.2	M1 M5 K6 S7	M1-Y3 VanDerWaalsContact C-N 3.35Å; M1-Y3 PolarHBondContact O-N 3.26Å; Y3-M5 VanDerWaalsContact C-N 3.32Å; Y3-M5 PolarHBondContact O-N 3.15Å; Y3-K6 PolarHBondContact O-N 3.09Å; Y3-S7 PolarHBondContact O-N 3.22Å
4	A	68.8	Low	70.5	Confident	61 Å²	61	129 Å²	129	50%	0.504	67%	0.672	S	S	.	*	H	α-helix	trans	-63.5	-40.3	177.4	0	0	0	0	0	111.4	M1 K6 S7 L8	M1-A4 PolarHBondContact O-N 2.97Å; A4-K6 PolarHBondContact O-N 3.14Å; A4-S7 PolarHBondContact O-N 3.42Å; A4-L8 WeakPolarHBondContact O-CD1 3.36Å; A4-L8 PolarHBondContact O-N 3.15Å
5	M	64.7	Low	71.1	Confident	132 Å²	132	127.1 Å²	127.1	65%	0.65	68%	0.683	S	S	*	*	H	α-helix	trans	-67	-36.9	179.4	-140.1	172.9	123	0	0	112.4	M1 A2 Y3 Q9	M1-M5 PolarHBondContact O-N 3.47Å; A2-M5 PolarHBondContact O-N 3.09Å; Y3-M5 VanDerWaalsContact C-N 3.32Å; Y3-M5 PolarHBondContact O-N 3.15Å; M5-Q9 WeakPolarHBondContact O-CG 3.46Å; M5-Q9 PolarHBondContact O-N 3.38Å
6	K	72.5	Confident	71.6	Confident	151 Å²	151	127 Å²	127	66%	0.657	67%	0.674	S	S	*	*	H	α-helix	trans	-65.4	-40.6	170.9	-108	-176.2	177.8	-178.3	0	111.8	A2 Y3 A4 L8 Q9	A2-K6 PolarHBondContact O-N 3.37Å; A2-K6 VanDerWaalsContact O-N 3.13Å; Y3-K6 PolarHBondContact O-N 3.09Å; A4-K6 PolarHBondContact O-N 3.14Å; K6-L8 VanDerWaalsContact C-N 3.35Å; K6-L8 PolarHBondContact O-N 2.96Å; K6-Q9 WeakPolarHBondContact O-CB 3.32Å; K6-Q9 PolarHBondContact O-N 3.22Å
7	S	75	Confident	72.2	Confident	66 Å²	66	124.3 Å²	124.3	46%	0.462	67%	0.666	S	S	.	*	H	α-helix	trans	-67.1	-35	177.9	-170.2	0	0	0	0	112.9	Y3 A4 Q9 N10	Y3-S7 PolarHBondContact O-N 3.22Å; A4-S7 PolarHBondContact O-N 3.42Å; S7-Q9 VanDerWaalsContact C-N 3.28Å; S7-Q9 PolarHBondContact O-N 3.05Å; S7-N10 WeakPolarHBondContact O-CB 3.33Å; S7-N10 PolarHBondContact O-N 2.97Å
8	L	71.9	Confident	72.7	Confident	119 Å²	119	124.2 Å²	124.2	62%	0.623	67%	0.665	S	S	*	*	H	α-helix	trans	-65.2	-30.6	174.6	-84.5	151.1	0	0	0	112.5	A4 K6 N10 F11	A4-L8 WeakPolarHBondContact O-CD1 3.36Å; A4-L8 PolarHBondContact O-N 3.15Å; K6-L8 VanDerWaalsContact C-N 3.35Å; K6-L8 PolarHBondContact O-N 2.96Å; L8-N10 PolarHBondContact O-N 3.3Å; L8-F11 PolarHBondContact O-N 2.75Å; L8-F11 VanDerWaalsContact O-N 3.15Å
9	Q	69.6	Low	73	Confident	112 Å²	112	127.5 Å²	127.5	52%	0.523	67%	0.672	S	S	.	*	H	α-helix	trans	-64.4	-28.9	175.2	-70.8	175.2	-8.1	0	0	112.3	M5 K6 S7 F11 D12	M5-Q9 WeakPolarHBondContact O-CG 3.46Å; M5-Q9 PolarHBondContact O-N 3.38Å; K6-Q9 WeakPolarHBondContact O-CB 3.32Å; K6-Q9 PolarHBondContact O-N 3.22Å; S7-Q9 VanDerWaalsContact C-N 3.28Å; S7-Q9 PolarHBondContact O-N 3.05Å; Q9-F11 VanDerWaalsContact C-N 3.3Å; Q9-D12 PolarHBondContact O-N 3.46Å
10	N	74.9	Confident	73.4	Confident	138 Å²	138	128.6 Å²	128.6	74%	0.738	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-17.2	177	-62.6	-15.7	0	0	0	113	S7 L8 D12	S7-N10 WeakPolarHBondContact O-CB 3.33Å; S7-N10 PolarHBondContact O-N 2.97Å; L8-N10 PolarHBondContact O-N 3.3Å; N10-D12 VanDerWaalsContact C-N 3.33Å
11	F	75.8	Confident	73.7	Confident	180 Å²	180	130.2 Å²	130.2	79%	0.789	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-13.6	175.6	-102.4	-85.9	0	0	0	113.1	L8 Q9 A13	L8-F11 PolarHBondContact O-N 2.75Å; L8-F11 VanDerWaalsContact O-N 3.15Å; Q9-F11 VanDerWaalsContact C-N 3.3Å; F11-A13 PolarHBondContact O-N 3.37Å
12	D	77.5	Confident	75.1	Confident	70 Å²	70	125.4 Å²	125.4	37%	0.374	65%	0.65	S	S	.	*			trans	-82.3	97.2	179.7	-165.9	-7.8	0	0	0	109.4	Q9 N10 F14 K16	Q9-D12 PolarHBondContact O-N 3.46Å; N10-D12 VanDerWaalsContact C-N 3.33Å; D12-F14 PolarHBondContact O-N 3.13Å; D12-K16 WeakPolarHBondContact OD2-CE 3.45Å; D12-K16 IonicContact OD2-NZ 2.93Å; D12-K16 PolarHBondContact OD2-NZ 3.26Å
13	A	78.8	Confident	76.1	Confident	93 Å²	93	129 Å²	129	77%	0.769	66%	0.657	S	S	*	*			trans	-69	-12.1	-176.4	0	0	0	0	0	113.8	F11	F11-A13 PolarHBondContact O-N 3.37Å
14	F	78.9	Confident	76.8	Confident	170 Å²	170	127.1 Å²	127.1	75%	0.746	65%	0.653	S	S	*	*	S	Bend	trans	-104.4	130	-172.5	-66.2	-77	0	0	0	112.4	D12 K16	D12-F14 PolarHBondContact O-N 3.13Å; F14-K16 PolarHBondContact O-N 2.87Å
15	A	79.4	Confident	77.8	Confident	101 Å²	101	127.8 Å²	127.8	84%	0.835	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-61.6	122.6	174.1	0	0	0	0	0	110.4
16	K	80	Confident	78.8	Confident	125 Å²	125	129 Å²	129	54%	0.543	66%	0.659	S	S	.	*	P	Polyproline II helix	trans	-70.9	129.8	179.8	-71.6	171.7	-179.1	159.3	0	109.8	D12 F14	D12-K16 WeakPolarHBondContact OD2-CE 3.45Å; D12-K16 IonicContact OD2-NZ 2.93Å; D12-K16 PolarHBondContact OD2-NZ 3.26Å; F14-K16 PolarHBondContact O-N 2.87Å
17	P	81	Confident	79.6	Confident	81 Å²	81	125.9 Å²	125.9	53%	0.526	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-63	150.4	175.9	24	-32	0	0	0	111.2
18	L	82.1	Confident	80.3	Confident	123 Å²	123	124 Å²	124	64%	0.644	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-58.1	150.5	176.6	-60.6	168.4	0	0	0	110.4	D20 F21	L18-D20 PolarHBondContact O-N 3.41Å; L18-D20 VanDerWaalsContact O-N 3.14Å; L18-F21 HydrophobicContact CB-CD2 4.09Å; L18-F21 HydrophobicContact CD1-CE2 4.36Å; L18-F21 PolarHBondContact O-N 2.95Å; L18-F21 VanDerWaalsContact O-N 3.09Å
19	K	77.8	Confident	81.1	Confident	187 Å²	187	120.7 Å²	120.7	81%	0.813	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-57.6	-32.5	-172.2	-66.6	178.3	-177.4	173.4	0	113	F21 R22	K19-F21 VanDerWaalsContact C-N 3.27Å; K19-F21 PolarHBondContact O-N 2.92Å; K19-R22 PolarHBondContact O-N 3.37Å; K19-R22 VanDerWaalsContact O-N 3.15Å
20	D	81	Confident	82.2	Confident	148 Å²	148	120.1 Å²	120.1	79%	0.791	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-70.3	-23.6	-177.4	-55.2	-38.4	0	0	0	113.1	L18	L18-D20 PolarHBondContact O-N 3.41Å; L18-D20 VanDerWaalsContact O-N 3.14Å
21	F	80.5	Confident	83.1	Confident	164 Å²	164	118.1 Å²	118.1	72%	0.719	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-97.1	9.3	175.3	-55.6	-75.7	0	0	0	112.7	L18 K19	L18-F21 HydrophobicContact CB-CD2 4.09Å; L18-F21 HydrophobicContact CD1-CE2 4.36Å; L18-F21 PolarHBondContact O-N 2.95Å; L18-F21 VanDerWaalsContact O-N 3.09Å; K19-F21 VanDerWaalsContact C-N 3.27Å; K19-F21 PolarHBondContact O-N 2.92Å
22	R	79.3	Confident	83.8	Confident	117 Å²	117	113 Å²	113	44%	0.442	62%	0.616	S	S	.	*			trans	-109.6	97.9	-177.9	-177.5	-176	-84.3	-168.7	-10.4	111	K19 K24	K19-R22 PolarHBondContact O-N 3.37Å; K19-R22 VanDerWaalsContact O-N 3.15Å; R22-K24 HydrophobicContact CG-CG 4.33Å
23	I	82.6	Confident	84.6	Confident	156 Å²	156	114.8 Å²	114.8	80%	0.8	63%	0.625	S	S	*	*			trans	-84.3	117	169.9	-55.3	174.1	0	0	0	108.6	T25	I23-T25 HydrophobicContact CG2-CG2 4.14Å
24	K	81.6	Confident	85.4	Confident	175 Å²	175	114.5 Å²	114.5	76%	0.761	61%	0.609	S	S	*	*			trans	-94.5	123.1	173.6	-65.5	-178.5	-178.8	178.7	0	109.3	R22	R22-K24 HydrophobicContact CG-CG 4.33Å
25	T	88.1	Confident	86.2	Confident	75 Å²	75	108.9 Å²	108.9	46%	0.46	59%	0.591	S	S	.	*			trans	-116.9	140.9	174.7	58.4	0	0	0	0	110.4	I23 G28 A29	I23-T25 HydrophobicContact CG2-CG2 4.14Å; T25-G28 PolarHBondContact O-N 3.25Å; T25-G28 WeakPolarHBondContact OG1-CA 3.34Å; T25-G28 PolarHBondContact OG1-N 2.91Å; T25-A29 PolarHBondContact O-N 3.5Å; T25-A29 VanDerWaalsContact O-N 3.15Å
26	L	86.9	Confident	86.9	Confident	159 Å²	159	107.9 Å²	107.9	83%	0.832	58%	0.578	S	S	*	*	H	α-helix	trans	-65.3	-41	177	-174.6	69.8	0	0	0	111.2	A29 L30	L26-A29 PolarHBondContact O-N 2.97Å; L26-L30 PolarHBondContact O-N 3.1Å; L26-L30 VanDerWaalsContact O-N 3.09Å
27	S	89.1	Confident	87.7	Confident	85 Å²	85	107 Å²	107	59%	0.594	58%	0.579	S	S	*	*	H	α-helix	trans	-62.2	-42.2	175.2	53.3	0	0	0	0	112.2	A29 L30 V31	S27-A29 VanDerWaalsContact C-N 3.35Å; S27-A29 PolarHBondContact O-N 3.29Å; S27-L30 PolarHBondContact O-N 2.87Å; S27-V31 WeakPolarHBondContact O-CG2 3.47Å; S27-V31 PolarHBondContact O-N 2.93Å
28	G	89	Confident	88.5	Confident	27 Å²	27	107.5 Å²	107.5	28%	0.278	58%	0.576	S	S	.	*	H	α-helix	trans	-64	-38.2	177.4	0	0	0	0	0	112.9	T25 S32	T25-G28 PolarHBondContact O-N 3.25Å; T25-G28 WeakPolarHBondContact OG1-CA 3.34Å; T25-G28 PolarHBondContact OG1-N 2.91Å; G28-S32 WeakPolarHBondContact O-CB 3.31Å; G28-S32 PolarHBondContact O-N 3.24Å; G28-S32 PolarHBondContact O-OG 3.49Å
29	A	89.6	Confident	89.2	Confident	48 Å²	48	107 Å²	107	40%	0.397	57%	0.573	S	S	.	*	H	α-helix	trans	-64.5	-43.8	173.6	0	0	0	0	0	111.9	T25 L26 S27 S32 I33	T25-A29 PolarHBondContact O-N 3.5Å; T25-A29 VanDerWaalsContact O-N 3.15Å; L26-A29 PolarHBondContact O-N 2.97Å; S27-A29 VanDerWaalsContact C-N 3.35Å; S27-A29 PolarHBondContact O-N 3.29Å; A29-S32 PolarHBondContact O-N 2.96Å; A29-I33 WeakPolarHBondContact O-CG1 3.47Å; A29-I33 PolarHBondContact O-N 3.45Å
30	L	92.5	Very high	90.1	Very high	101 Å²	101	99.8 Å²	99.8	53%	0.529	55%	0.551	S	S	.	*	H	α-helix	trans	-64.1	-46.5	179.1	-164.6	156.5	0	0	0	111.7	L26 S27 S32 I33 I34	L26-L30 PolarHBondContact O-N 3.1Å; L26-L30 VanDerWaalsContact O-N 3.09Å; S27-L30 PolarHBondContact O-N 2.87Å; L30-S32 VanDerWaalsContact C-N 3.27Å; L30-S32 PolarHBondContact O-N 3.26Å; L30-I33 PolarHBondContact O-N 3.48Å; L30-I34 HydrophobicContact CD2-CD1 3.37Å; L30-I34 HydrophobicContact CD2-CG1 4.06Å; L30-I34 WeakPolarHBondContact O-CG1 3.19Å; L30-I34 PolarHBondContact O-N 3.43Å
31	V	93.7	Very high	90.9	Very high	95 Å²	95	98 Å²	98	58%	0.576	54%	0.541	S	S	*	.	H	α-helix	trans	-59.4	-40.4	175.6	172.9	0	0	0	0	111.1	S27 I34 S35	S27-V31 WeakPolarHBondContact O-CG2 3.47Å; S27-V31 PolarHBondContact O-N 2.93Å; V31-I34 PolarHBondContact O-N 2.88Å; V31-S35 WeakPolarHBondContact O-CB 3.34Å; V31-S35 PolarHBondContact O-N 2.89Å; V31-S35 PolarHBondContact O-OG 2.8Å; V31-S35 VanDerWaalsContact O-OG 3.13Å
32	S	91.4	Very high	91.8	Very high	73 Å²	73	95 Å²	95	51%	0.51	53%	0.531	S	S	.	.	H	α-helix	trans	-67.6	-36.6	178.4	-60.9	0	0	0	0	112.8	G28 A29 L30 S35 S36	G28-S32 WeakPolarHBondContact O-CB 3.31Å; G28-S32 PolarHBondContact O-N 3.24Å; G28-S32 PolarHBondContact O-OG 3.49Å; A29-S32 PolarHBondContact O-N 2.96Å; L30-S32 VanDerWaalsContact C-N 3.27Å; L30-S32 PolarHBondContact O-N 3.26Å; S32-S35 WeakPolarHBondContact CA-OG 3.18Å; S32-S35 PolarHBondContact O-OG 3.27Å; S32-S35 VanDerWaalsContact O-OG 3.1Å; S32-S36 WeakPolarHBondContact O-CB 3.41Å; S32-S36 PolarHBondContact O-N 3.49Å
33	I	93.8	Very high	92.7	Very high	108 Å²	108	96.1 Å²	96.1	55%	0.554	54%	0.54	S	S	*	.	H	α-helix	trans	-67.6	-47.9	174.5	-68.9	165.1	0	0	0	110.2	A29 L30 S35 S36 L37	A29-I33 WeakPolarHBondContact O-CG1 3.47Å; A29-I33 PolarHBondContact O-N 3.45Å; L30-I33 PolarHBondContact O-N 3.48Å; I33-S35 PolarHBondContact O-N 2.91Å; I33-S36 PolarHBondContact O-N 3.28Å; I33-L37 HydrophobicContact CG2-CD1 4.05Å; I33-L37 WeakPolarHBondContact O-CB 3.26Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 3.34Å
34	I	95.4	Very high	93.4	Very high	87 Å²	87	92.3 Å²	92.3	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-61.5	-46.5	178.7	-67.6	-179.1	0	0	0	110.6	L30 V31 L37 I38	L30-I34 HydrophobicContact CD2-CD1 3.37Å; L30-I34 HydrophobicContact CD2-CG1 4.06Å; L30-I34 WeakPolarHBondContact O-CG1 3.19Å; L30-I34 PolarHBondContact O-N 3.43Å; V31-I34 PolarHBondContact O-N 2.88Å; I34-L37 PolarHBondContact O-N 3.45Å; I34-I38 HydrophobicContact CG2-CD1 3.79Å; I34-I38 HydrophobicContact CG2-CG1 4.44Å; I34-I38 WeakPolarHBondContact O-CG1 3.45Å; I34-I38 PolarHBondContact O-N 3.28Å
35	S	95.1	Very high	94.1	Very high	51 Å²	51	87.1 Å²	87.1	36%	0.357	51%	0.51	S	S	.	.	H	α-helix	trans	-64.3	-42.3	179.2	67.5	0	0	0	0	111.7	V31 S32 I33 L37 I38 I39	V31-S35 WeakPolarHBondContact O-CB 3.34Å; V31-S35 PolarHBondContact O-N 2.89Å; V31-S35 PolarHBondContact O-OG 2.8Å; V31-S35 VanDerWaalsContact O-OG 3.13Å; S32-S35 WeakPolarHBondContact CA-OG 3.18Å; S32-S35 PolarHBondContact O-OG 3.27Å; S32-S35 VanDerWaalsContact O-OG 3.1Å; I33-S35 PolarHBondContact O-N 2.91Å; S35-L37 VanDerWaalsContact C-N 3.31Å; S35-L37 PolarHBondContact O-N 3.46Å; S35-I38 PolarHBondContact O-N 3.22Å; S35-I39 WeakPolarHBondContact O-CB 3.42Å; S35-I39 WeakPolarHBondContact O-CD1 3.31Å; S35-I39 WeakPolarHBondContact O-CG1 2.8Å; S35-I39 PolarHBondContact O-N 3.25Å
36	S	95.2	Very high	94.5	Very high	80 Å²	80	89.6 Å²	89.6	56%	0.559	52%	0.516	S	S	*	.	H	α-helix	trans	-61.8	-37.9	175.3	-174.5	0	0	0	0	112.4	S32 I33 G40	S32-S36 WeakPolarHBondContact O-CB 3.41Å; S32-S36 PolarHBondContact O-N 3.49Å; I33-S36 PolarHBondContact O-N 3.28Å; S36-G40 PolarHBondContact O-N 3.36Å
37	L	96.8	Very high	95	Very high	108 Å²	108	86.2 Å²	86.2	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-66.4	-46.3	175.1	-75.1	171.8	0	0	0	111.4	I33 I34 S35 I39 G40 I41	I33-L37 HydrophobicContact CG2-CD1 4.05Å; I33-L37 WeakPolarHBondContact O-CB 3.26Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 3.34Å; I34-L37 PolarHBondContact O-N 3.45Å; S35-L37 VanDerWaalsContact C-N 3.31Å; S35-L37 PolarHBondContact O-N 3.46Å; L37-I39 PolarHBondContact O-N 3.45Å; L37-G40 PolarHBondContact O-N 3.15Å; L37-I41 VanDerWaalsContact O-CG1 3.31Å; L37-I41 WeakPolarHBondContact O-CG1 3.33Å; L37-I41 PolarHBondContact O-N 3.35Å
38	I	97.4	Very high	95.4	Very high	91 Å²	91	88 Å²	88	47%	0.467	50%	0.5	S	S	.	.	H	α-helix	trans	-60.7	-46.1	177.1	-67.7	168.5	0	0	0	110.5	I34 S35 G40 I41 L42	I34-I38 HydrophobicContact CG2-CD1 3.79Å; I34-I38 HydrophobicContact CG2-CG1 4.44Å; I34-I38 WeakPolarHBondContact O-CG1 3.45Å; I34-I38 PolarHBondContact O-N 3.28Å; S35-I38 PolarHBondContact O-N 3.22Å; I38-G40 VanDerWaalsContact C-N 3.32Å; I38-G40 PolarHBondContact O-N 3.25Å; I38-I41 PolarHBondContact O-N 3.5Å; I38-L42 HydrophobicContact CG2-CD1 3.89Å; I38-L42 HydrophobicContact CG2-CG 4.31Å; I38-L42 WeakPolarHBondContact O-CB 3.49Å; I38-L42 WeakPolarHBondContact O-CG 3.38Å; I38-L42 PolarHBondContact O-N 3.45Å
39	I	96.8	Very high	95.6	Very high	113 Å²	113	90.2 Å²	90.2	58%	0.579	51%	0.512	S	S	*	.	H	α-helix	trans	-59.8	-44	176.8	-68.7	164	0	0	0	110.5	S35 L37 L42 F43	S35-I39 WeakPolarHBondContact O-CB 3.42Å; S35-I39 WeakPolarHBondContact O-CD1 3.31Å; S35-I39 WeakPolarHBondContact O-CG1 2.8Å; S35-I39 PolarHBondContact O-N 3.25Å; L37-I39 PolarHBondContact O-N 3.45Å; I39-L42 PolarHBondContact O-N 2.9Å; I39-F43 VanDerWaalsContact O-CB 3.26Å; I39-F43 WeakPolarHBondContact O-CB 3.27Å; I39-F43 PolarHBondContact O-N 3.23Å
40	G	97.4	Very high	95.7	Very high	34 Å²	34	96.5 Å²	96.5	35%	0.351	53%	0.53	S	S	.	.	H	α-helix	trans	-60.4	-46.8	176.3	0	0	0	0	0	112.7	S36 L37 I38 F43 T44	S36-G40 PolarHBondContact O-N 3.36Å; L37-G40 PolarHBondContact O-N 3.15Å; I38-G40 VanDerWaalsContact C-N 3.32Å; I38-G40 PolarHBondContact O-N 3.25Å; G40-F43 PolarHBondContact O-N 3.5Å; G40-T44 WeakPolarHBondContact O-CG2 3.47Å; G40-T44 PolarHBondContact O-N 2.89Å; G40-T44 PolarHBondContact O-OG1 3.45Å
41	I	98	Very high	95.7	Very high	112 Å²	112	95.9 Å²	95.9	57%	0.574	53%	0.531	S	S	*	.	H	α-helix	trans	-61.1	-50.6	177.8	-68.5	165.2	0	0	0	110.5	L37 I38 F43 T44 S45	L37-I41 VanDerWaalsContact O-CG1 3.31Å; L37-I41 WeakPolarHBondContact O-CG1 3.33Å; L37-I41 PolarHBondContact O-N 3.35Å; I38-I41 PolarHBondContact O-N 3.5Å; I41-F43 PolarHBondContact O-N 3.17Å; I41-T44 PolarHBondContact O-N 2.97Å; I41-T44 PolarHBondContact O-OG1 3.45Å; I41-S45 WeakPolarHBondContact O-CB 3.48Å; I41-S45 PolarHBondContact O-N 2.95Å
42	L	97.7	Very high	95.6	Very high	101 Å²	101	96.8 Å²	96.8	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-60.8	-44.5	179.3	-69.3	176.1	0	0	0	111.5	I38 I39 T44 S45 E46	I38-L42 HydrophobicContact CG2-CD1 3.89Å; I38-L42 HydrophobicContact CG2-CG 4.31Å; I38-L42 WeakPolarHBondContact O-CB 3.49Å; I38-L42 WeakPolarHBondContact O-CG 3.38Å; I38-L42 PolarHBondContact O-N 3.45Å; I39-L42 PolarHBondContact O-N 2.9Å; L42-T44 PolarHBondContact O-N 3.32Å; L42-S45 PolarHBondContact O-N 2.94Å; L42-E46 WeakPolarHBondContact O-CB 3.45Å; L42-E46 WeakPolarHBondContact O-CG 3.42Å; L42-E46 PolarHBondContact O-N 3.21Å
43	F	97.9	Very high	95.5	Very high	140 Å²	140	96.9 Å²	96.9	61%	0.614	53%	0.526	S	S	*	.	H	α-helix	trans	-59.7	-45.8	176.5	178.4	-98.6	0	0	0	111.9	I39 G40 I41 S45 E46 L47	I39-F43 VanDerWaalsContact O-CB 3.26Å; I39-F43 WeakPolarHBondContact O-CB 3.27Å; I39-F43 PolarHBondContact O-N 3.23Å; G40-F43 PolarHBondContact O-N 3.5Å; I41-F43 PolarHBondContact O-N 3.17Å; F43-S45 PolarHBondContact O-N 3.2Å; F43-E46 PolarHBondContact O-N 3.42Å; F43-L47 HydrophobicContact CE1-CD2 4.2Å; F43-L47 VanDerWaalsContact O-CB 3.23Å; F43-L47 WeakPolarHBondContact O-CB 3.23Å; F43-L47 PolarHBondContact O-N 2.87Å
44	T	97.7	Very high	95	Very high	76 Å²	76	99 Å²	99	47%	0.466	53%	0.533	S	S	.	.	H	α-helix	trans	-65.1	-38.8	177.2	55.6	0	0	0	0	112.4	G40 I41 L42 L47 L48	G40-T44 WeakPolarHBondContact O-CG2 3.47Å; G40-T44 PolarHBondContact O-N 2.89Å; G40-T44 PolarHBondContact O-OG1 3.45Å; I41-T44 PolarHBondContact O-N 2.97Å; I41-T44 PolarHBondContact O-OG1 3.45Å; L42-T44 PolarHBondContact O-N 3.32Å; T44-L47 PolarHBondContact O-N 3.46Å; T44-L48 WeakPolarHBondContact O-CB 3.39Å; T44-L48 VanDerWaalsContact O-CG 3.27Å; T44-L48 WeakPolarHBondContact O-CG 3.4Å; T44-L48 PolarHBondContact O-N 3.13Å
45	S	97.5	Very high	94.6	Very high	66 Å²	66	101.7 Å²	101.7	46%	0.462	55%	0.549	S	S	.	.	H	α-helix	trans	-63.7	-49.1	176.5	-176.8	0	0	0	0	111.7	I41 L42 F43 L47 L48 S49	I41-S45 WeakPolarHBondContact O-CB 3.48Å; I41-S45 PolarHBondContact O-N 2.95Å; L42-S45 PolarHBondContact O-N 2.94Å; F43-S45 PolarHBondContact O-N 3.2Å; S45-L47 VanDerWaalsContact C-N 3.33Å; S45-L47 PolarHBondContact O-N 3.02Å; S45-L48 PolarHBondContact O-N 3.26Å; S45-S49 WeakPolarHBondContact O-CB 3.49Å; S45-S49 PolarHBondContact O-N 3.49Å
46	E	96.7	Very high	94.2	Very high	126 Å²	126	107.3 Å²	107.3	59%	0.589	57%	0.567	S	S	*	*	H	α-helix	trans	-64.4	-37.2	177.4	-71.4	-57.6	143.3	0	0	111.8	L42 F43 S49 F50	L42-E46 WeakPolarHBondContact O-CB 3.45Å; L42-E46 WeakPolarHBondContact O-CG 3.42Å; L42-E46 PolarHBondContact O-N 3.21Å; F43-E46 PolarHBondContact O-N 3.42Å; E46-S49 PolarHBondContact O-N 2.79Å; E46-F50 WeakPolarHBondContact O-CB 3.49Å; E46-F50 PolarHBondContact O-N 2.98Å
47	L	96.9	Very high	93.8	Very high	88 Å²	88	112.5 Å²	112.5	46%	0.461	58%	0.583	S	S	.	*	H	α-helix	trans	-65.6	-42.2	175.9	-176.2	63.1	0	0	0	111.9	F43 T44 S45 T51	F43-L47 HydrophobicContact CE1-CD2 4.2Å; F43-L47 VanDerWaalsContact O-CB 3.23Å; F43-L47 WeakPolarHBondContact O-CB 3.23Å; F43-L47 PolarHBondContact O-N 2.87Å; T44-L47 PolarHBondContact O-N 3.46Å; S45-L47 VanDerWaalsContact C-N 3.33Å; S45-L47 PolarHBondContact O-N 3.02Å; L47-T51 HydrophobicContact CD1-CG2 4.4Å; L47-T51 WeakPolarHBondContact O-CB 3.26Å; L47-T51 VanDerWaalsContact O-CG2 3.26Å; L47-T51 WeakPolarHBondContact O-CG2 3.41Å; L47-T51 PolarHBondContact O-N 2.77Å; L47-T51 PolarHBondContact O-OG1 3.35Å
48	L	96.2	Very high	93.3	Very high	123 Å²	123	113.3 Å²	113.3	64%	0.644	58%	0.583	S	S	*	*	H	α-helix	trans	-65.8	-39.4	174.6	-70.7	174.3	0	0	0	111.6	T44 S45 T51 H52	T44-L48 WeakPolarHBondContact O-CB 3.39Å; T44-L48 VanDerWaalsContact O-CG 3.27Å; T44-L48 WeakPolarHBondContact O-CG 3.4Å; T44-L48 PolarHBondContact O-N 3.13Å; S45-L48 PolarHBondContact O-N 3.26Å; L48-T51 WeakPolarHBondContact CA-OG1 3.2Å; L48-T51 PolarHBondContact O-N 3.09Å; L48-T51 PolarHBondContact O-OG1 3.1Å; L48-T51 VanDerWaalsContact O-OG1 3.1Å; L48-H52 PolarHBondContact O-N 3.5Å; L48-H52 VanDerWaalsContact O-N 3.09Å
49	S	93.7	Very high	92.8	Very high	74 Å²	74	117.5 Å²	117.5	52%	0.517	61%	0.605	S	S	.	*	H	α-helix	trans	-65.3	-45.3	175.4	-173.5	0	0	0	0	111.9	S45 E46 T51 H52	S45-S49 WeakPolarHBondContact O-CB 3.49Å; S45-S49 PolarHBondContact O-N 3.49Å; E46-S49 PolarHBondContact O-N 2.79Å; S49-T51 VanDerWaalsContact C-N 3.32Å; S49-T51 PolarHBondContact O-N 3.49Å; S49-H52 WeakPolarHBondContact O-CB 3.36Å; S49-H52 PolarHBondContact O-N 3.33Å; S49-H52 VanDerWaalsContact O-N 3.16Å
50	F	91.8	Very high	92	Very high	180 Å²	180	117.1 Å²	117.1	79%	0.789	60%	0.603	S	S	*	*	H	α-helix	trans	-65.5	-34	178.3	-179.4	-98.2	0	0	0	112.7	E46 H52	E46-F50 WeakPolarHBondContact O-CB 3.49Å; E46-F50 PolarHBondContact O-N 2.98Å; F50-H52 VanDerWaalsContact C-N 3.33Å
51	T	93.2	Very high	91.3	Very high	87 Å²	87	121.5 Å²	121.5	53%	0.534	62%	0.622	S	S	.	*	H	α-helix	trans	-80.8	-13.7	176.1	53.1	0	0	0	0	113.1	L47 L48 S49 T53	L47-T51 HydrophobicContact CD1-CG2 4.4Å; L47-T51 WeakPolarHBondContact O-CB 3.26Å; L47-T51 VanDerWaalsContact O-CG2 3.26Å; L47-T51 WeakPolarHBondContact O-CG2 3.41Å; L47-T51 PolarHBondContact O-N 2.77Å; L47-T51 PolarHBondContact O-OG1 3.35Å; L48-T51 WeakPolarHBondContact CA-OG1 3.2Å; L48-T51 PolarHBondContact O-N 3.09Å; L48-T51 PolarHBondContact O-OG1 3.1Å; L48-T51 VanDerWaalsContact O-OG1 3.1Å; S49-T51 VanDerWaalsContact C-N 3.32Å; S49-T51 PolarHBondContact O-N 3.49Å; T51-T53 PolarHBondContact O-N 3.16Å
52	H	91.8	Very high	90.1	Very high	114 Å²	114	119.6 Å²	119.6	53%	0.528	61%	0.613	S	S	.	*	S	Bend	trans	-72.5	117.1	175	-174.8	-82.2	0	0	0	110.8	L48 S49 F50 Q54	L48-H52 PolarHBondContact O-N 3.5Å; L48-H52 VanDerWaalsContact O-N 3.09Å; S49-H52 WeakPolarHBondContact O-CB 3.36Å; S49-H52 PolarHBondContact O-N 3.33Å; S49-H52 VanDerWaalsContact O-N 3.16Å; F50-H52 VanDerWaalsContact C-N 3.33Å; H52-Q54 PolarHBondContact ND1-NE2 3.43Å; H52-Q54 PolarHBondContact O-N 3.44Å
53	T	87.9	Confident	89.2	Confident	76 Å²	76	120.6 Å²	120.6	47%	0.466	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-72.9	125.9	177.1	-61.1	0	0	0	0	110.3	T51 L287	T51-T53 PolarHBondContact O-N 3.16Å; T53-L287 HydrophobicContact CG2-CD1 4.3Å; T53-L287 HydrophobicContact CG2-CD2 4.05Å; T53-L287 HydrophobicContact CG2-CG 4.42Å
54	Q	84.3	Confident	88.1	Confident	151 Å²	151	118 Å²	118	71%	0.706	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-101.8	131.6	175.6	-66.1	-70.3	4.6	0	0	110.7	H52	H52-Q54 PolarHBondContact ND1-NE2 3.43Å; H52-Q54 PolarHBondContact O-N 3.44Å
55	N	86.1	Confident	86.8	Confident	144 Å²	144	125.7 Å²	125.7	77%	0.77	64%	0.637	S	S	*	*			trans	-85.7	116	174.3	-67.2	-36.2	0	0	0	109.5
56	K	87.4	Confident	85.7	Confident	170 Å²	170	126.6 Å²	126.6	74%	0.739	66%	0.656	S	S	*	*			trans	-97.2	122.5	174	-165.8	-174.5	-170.8	-166.1	0	109.6	E58	K56-E58 HydrophobicContact CD-CG 4.39Å; K56-E58 WeakPolarHBondContact CD-OE1 3.41Å; K56-E58 WeakPolarHBondContact CE-OE1 2.96Å; K56-E58 HydrophobicContact CG-CG 4.4Å; K56-E58 IonicContact NZ-OE1 2.61Å; K56-E58 PolarHBondContact NZ-OE1 2.61Å
57	Q	87.5	Confident	85	Confident	189 Å²	189	124 Å²	124	88%	0.883	64%	0.644	S	S	*	*			trans	-101.9	124.7	175.3	-66.4	179.1	-16.2	0	0	109.2
58	E	85.5	Confident	84.5	Confident	125 Å²	125	125.7 Å²	125.7	58%	0.584	65%	0.648	S	S	*	*			trans	-126.6	140	174.5	-67	-176.3	-179.1	0	0	109	K56	K56-E58 HydrophobicContact CD-CG 4.39Å; K56-E58 WeakPolarHBondContact CD-OE1 3.41Å; K56-E58 WeakPolarHBondContact CE-OE1 2.96Å; K56-E58 HydrophobicContact CG-CG 4.4Å; K56-E58 IonicContact NZ-OE1 2.61Å; K56-E58 PolarHBondContact NZ-OE1 2.61Å
59	I	85.9	Confident	83.9	Confident	179 Å²	179	120.2 Å²	120.2	92%	0.918	62%	0.619	S	S	*	*			trans	-100.1	118.7	174.7	-59	173.6	0	0	0	106.9
60	I	81.2	Confident	83.7	Confident	104 Å²	104	118.3 Å²	118.3	53%	0.533	61%	0.606	S	S	.	*			trans	-115.6	155.7	174	62.9	156.4	0	0	0	109.9	M283	I60-M283 HydrophobicContact CD1-CE 3.22Å; I60-M283 HydrophobicContact CD1-SD 4.21Å; I60-M283 HydrophobicContact CG1-CE 4.29Å
61	V	81.9	Confident	83.6	Confident	126 Å²	126	109.7 Å²	109.7	76%	0.764	57%	0.568	S	S	*	*			trans	-82.8	127.1	171	-179.6	0	0	0	0	108.2	V63	V61-V63 PolarHBondContact O-N 3.29Å
62	D	73.4	Confident	83.6	Confident	72 Å²	72	108 Å²	108	39%	0.385	55%	0.552	S	S	.	*			trans	-71.6	121.2	172.9	-174.3	18.1	0	0	0	110.3	N64 R206	D62-N64 PolarHBondContact OD1-N 3.47Å; D62-R206 VanDerWaalsContact CG-NH2 3.27Å; D62-R206 IonicContact OD1-NH2 3.57Å; D62-R206 IonicContact OD2-CZ 3.78Å; D62-R206 IonicContact OD2-NE 3.96Å; D62-R206 PolarHBondContact OD2-NE 3.1Å; D62-R206 IonicContact OD2-NH2 2.59Å; D62-R206 PolarHBondContact OD2-NH2 2.86Å
63	V	77.9	Confident	83.6	Confident	122 Å²	122	102.6 Å²	102.6	74%	0.739	53%	0.527	S	S	*	.			trans	-102.4	-9.4	-179.3	-76.6	0	0	0	0	112.7	V61	V61-V63 PolarHBondContact O-N 3.29Å
64	N	75.1	Confident	83.9	Confident	86 Å²	86	99.9 Å²	99.9	46%	0.46	51%	0.51	S	S	.	.			trans	-81.4	134.7	-175.4	-66.8	-4.4	0	0	0	110.6	D62 E67	D62-N64 PolarHBondContact OD1-N 3.47Å; N64-E67 HydrophobicContact CB-CG 4.22Å; N64-E67 VanDerWaalsContact CB-OE1 3.28Å; N64-E67 WeakPolarHBondContact CB-OE1 3.05Å; N64-E67 VanDerWaalsContact CG-OE1 3.31Å; N64-E67 PolarHBondContact ND2-OE1 3.23Å
65	R	71.2	Confident	84.5	Confident	238 Å²	238	92.7 Å²	92.7	90%	0.898	48%	0.476	S	S	*	.			trans	-123.7	144.6	177.6	-67.1	-173.6	178.6	-178.1	0.1	110.4	E67	R65-E67 VanDerWaalsContact C-N 3.34Å; R65-E67 PolarHBondContact O-N 3.44Å
66	G	74.2	Confident	84.9	Confident	85 Å²	85	86.4 Å²	86.4	88%	0.876	44%	0.443	S	S	*	.	S	Bend	trans	76.1	16.2	173.1	0	0	0	0	0	115.2
67	E	82.7	Confident	85.2	Confident	70 Å²	70	78.4 Å²	78.4	33%	0.327	41%	0.408	S	S	.	.			trans	-74.7	156.4	174.3	-65.8	-175.7	166	0	0	111.9	N64 R65 R206	N64-E67 HydrophobicContact CB-CG 4.22Å; N64-E67 VanDerWaalsContact CB-OE1 3.28Å; N64-E67 WeakPolarHBondContact CB-OE1 3.05Å; N64-E67 VanDerWaalsContact CG-OE1 3.31Å; N64-E67 PolarHBondContact ND2-OE1 3.23Å; R65-E67 VanDerWaalsContact C-N 3.34Å; R65-E67 PolarHBondContact O-N 3.44Å; E67-R206 HydrophobicContact CB-CB 4.44Å; E67-R206 WeakPolarHBondContact O-CB 3.22Å; E67-R206 PolarHBondContact O-N 2.94Å; E67-R206 IonicContact OE2-CZ 3.22Å; E67-R206 IonicContact OE2-NH1 3.42Å; E67-R206 PolarHBondContact OE2-NH1 2.92Å
68	K	84.7	Confident	85.5	Confident	125 Å²	125	70.8 Å²	70.8	54%	0.543	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	154.8	169.9	-64.2	-172.4	179.9	-171.6	0	110.2	T203 V204	K68-T203 HydrophobicContact CB-CG2 3.84Å; K68-T203 HydrophobicContact CD-CG2 3.83Å; K68-T203 HydrophobicContact CG-CG2 4.41Å; K68-V204 CarbonylContact C-O 3.59Å; K68-V204 VanDerWaalsContact CA-O 3.23Å; K68-V204 WeakPolarHBondContact CA-O 3.47Å; K68-V204 WeakPolarHBondContact CB-O 3.42Å
69	M	85.3	Confident	85.8	Confident	7 Å²	7	67.4 Å²	67.4	3%	0.034	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.9	177.5	-177.5	-171.2	-33	0	0	109	T203 V204 R206 F248 L279 F295	M69-T203 CarbonylContact O-C 3.55Å; M69-T203 WeakPolarHBondContact O-CA 3.1Å; M69-V204 HydrophobicContact CB-CG2 4.4Å; M69-V204 PolarHBondContact N-O 3.17Å; M69-V204 PolarHBondContact O-N 3.47Å; M69-R206 HydrophobicContact CE-CB 4.44Å; M69-R206 HydrophobicContact CE-CG 4.05Å; M69-F248 HydrophobicContact SD-CB 3.87Å; M69-F248 HydrophobicContact SD-CD1 4.25Å; M69-L279 HydrophobicContact CE-CD1 4.26Å; M69-L279 HydrophobicContact SD-CD1 4.21Å; M69-F295 HydrophobicContact CB-CE2 4.13Å; M69-F295 HydrophobicContact CE-CD1 3.6Å; M69-F295 HydrophobicContact CE-CD2 3.71Å; M69-F295 HydrophobicContact CE-CE1 3.4Å; M69-F295 HydrophobicContact CE-CE2 3.56Å; M69-F295 HydrophobicContact CE-CG 3.77Å; M69-F295 HydrophobicContact CE-CZ 3.4Å; M69-F295 VanDerWaalsContact CE-CZ 3.4Å; M69-F295 HydrophobicContact CG-CD2 3.65Å; M69-F295 HydrophobicContact CG-CE2 3.49Å; M69-F295 VanDerWaalsContact CG-CE2 3.49Å; M69-F295 HydrophobicContact CG-CZ 4.25Å; M69-F295 HydrophobicContact SD-CB 4.31Å; M69-F295 HydrophobicContact SD-CD1 4.14Å; M69-F295 HydrophobicContact SD-CD2 3.33Å; M69-F295 WeakPolarHBondContact SD-CD2 3.27Å; M69-F295 HydrophobicContact SD-CE1 4.35Å; M69-F295 HydrophobicContact SD-CE2 3.62Å; M69-F295 HydrophobicContact SD-CG 3.66Å; M69-F295 HydrophobicContact SD-CZ 4.13Å
70	S	88.5	Confident	86	Confident	34 Å²	34	58.9 Å²	58.9	24%	0.238	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.5	169	-174	0	0	0	0	109.9	L202 G249	S70-L202 CarbonylContact C-O 3.59Å; S70-G249 WeakPolarHBondContact O-CA 3.36Å; S70-G249 PolarHBondContact O-N 3.33Å
71	I	90.1	Very high	86.4	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.3	170.6	-55.4	174.8	0	0	0	106.7	M73 N201 L202 V204 F211 L246 R247 F248 M322	I71-M73 HydrophobicContact CG2-CE 4.2Å; I71-N201 CarbonylContact O-C 3.53Å; I71-N201 WeakPolarHBondContact O-CA 3.36Å; I71-L202 HydrophobicContact CB-CB 4.27Å; I71-L202 HydrophobicContact CD1-CD2 4.33Å; I71-L202 PolarHBondContact N-O 3.09Å; I71-L202 PolarHBondContact O-N 2.95Å; I71-V204 HydrophobicContact CD1-CB 4.49Å; I71-V204 HydrophobicContact CD1-CG1 4.04Å; I71-V204 HydrophobicContact CD1-CG2 3.61Å; I71-V204 HydrophobicContact CG1-CG2 4.01Å; I71-F211 HydrophobicContact CD1-CD1 4.36Å; I71-F211 HydrophobicContact CG2-CE1 4.42Å; I71-L246 HydrophobicContact CG2-CD1 3.92Å; I71-R247 CarbonylContact C-O 3.59Å; I71-R247 WeakPolarHBondContact CA-O 3.32Å; I71-F248 HydrophobicContact CB-CD1 4.48Å; I71-F248 HydrophobicContact CD1-CD1 4.14Å; I71-F248 HydrophobicContact CD1-CE1 3.99Å; I71-F248 HydrophobicContact CG1-CD1 3.81Å; I71-F248 HydrophobicContact CG1-CE1 4.06Å; I71-F248 HydrophobicContact CG2-CD1 4.11Å; I71-F248 HydrophobicContact CG2-CE1 3.86Å; I71-M322 HydrophobicContact CD1-CE 3.89Å; I71-M322 HydrophobicContact CD1-SD 3.52Å; I71-M322 VanDerWaalsContact CD1-SD 3.52Å
72	Y	92.4	Very high	86.7	Confident	51 Å²	51	48.8 Å²	48.8	20%	0.2	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.2	167.5	-178.9	-100.3	0	0	0	108.5	D74 G200 N201 E245 L246 R247	Y72-D74 HydrophobicContact CE1-CB 4.42Å; Y72-G200 WeakPolarHBondContact CA-O 3.27Å; Y72-N201 WeakPolarHBondContact CD2-OD1 3.16Å; Y72-E245 HydrophobicContact CD1-CB 4.23Å; Y72-E245 HydrophobicContact CD1-CG 3.91Å; Y72-E245 HydrophobicContact CE1-CB 3.95Å; Y72-E245 HydrophobicContact CE1-CG 4.02Å; Y72-E245 WeakPolarHBondContact CE1-OE2 3.39Å; Y72-L246 WeakPolarHBondContact O-CA 3.16Å; Y72-R247 PolarHBondContact N-O 3Å; Y72-R247 PolarHBondContact O-N 3.13Å
73	M	92.5	Very high	87.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.7	174.8	56.1	-179.8	51.1	0	0	110.1	I71 I75 L87 H199 G200 L202 F211 E245 L246	I71-M73 HydrophobicContact CG2-CE 4.2Å; M73-I75 HydrophobicContact CB-CD1 4.23Å; M73-I75 HydrophobicContact CB-CG1 4.38Å; M73-L87 HydrophobicContact CE-CD1 4.47Å; M73-L87 HydrophobicContact SD-CD1 4.15Å; M73-L87 HydrophobicContact SD-CD2 3.88Å; M73-H199 CarbonylContact O-C 3.59Å; M73-H199 WeakPolarHBondContact O-CA 3.26Å; M73-G200 PolarHBondContact N-O 3.02Å; M73-G200 PolarHBondContact O-N 2.83Å; M73-L202 HydrophobicContact CE-CD2 3.84Å; M73-F211 HydrophobicContact CE-CD1 4.14Å; M73-F211 HydrophobicContact CE-CD2 3.61Å; M73-F211 HydrophobicContact CE-CE1 3.88Å; M73-F211 HydrophobicContact CE-CE2 3.33Å; M73-F211 HydrophobicContact CE-CG 4Å; M73-F211 HydrophobicContact CE-CZ 3.47Å; M73-F211 VanDerWaalsContact CE-CZ 3.47Å; M73-F211 HydrophobicContact SD-CE2 4.48Å; M73-E245 CarbonylContact C-O 3.58Å; M73-L246 HydrophobicContact CB-CD1 3.88Å
74	D	95.1	Very high	87.4	Confident	20 Å²	20	43.9 Å²	43.9	11%	0.107	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	97.7	165.8	-178.3	6.8	0	0	0	107.7	Y72 R197 I198 H199 G244 E245	Y72-D74 HydrophobicContact CE1-CB 4.42Å; D74-R197 WeakPolarHBondContact OD1-CG 3.3Å; D74-R197 IonicContact OD1-CZ 3.83Å; D74-R197 IonicContact OD1-NE 3.47Å; D74-R197 PolarHBondContact OD1-NE 3.28Å; D74-R197 IonicContact OD1-NH2 3.68Å; D74-R197 IonicContact OD2-CZ 3.86Å; D74-R197 IonicContact OD2-NE 2.66Å; D74-R197 PolarHBondContact OD2-NE 3.14Å; D74-R197 IonicContact OD2-NH2 2.97Å; D74-R197 PolarHBondContact OD2-NH2 2.93Å; D74-I198 WeakPolarHBondContact CA-O 3.43Å; D74-H199 HydrophobicContact CB-CB 4.16Å; D74-G244 PolarHBondContact O-N 3.26Å; D74-E245 PolarHBondContact N-O 3.32Å
75	I	95	Very high	87.8	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.2	-172.9	-58.6	172.5	0	0	0	108.6	M73 L77 I198 F211 I213 S242 I243 L318	M73-I75 HydrophobicContact CB-CD1 4.23Å; M73-I75 HydrophobicContact CB-CG1 4.38Å; I75-L77 HydrophobicContact CG2-CD1 4.36Å; I75-I198 PolarHBondContact N-O 3.34Å; I75-I198 PolarHBondContact O-N 2.94Å; I75-F211 HydrophobicContact CD1-CE2 4.2Å; I75-I213 HydrophobicContact CB-CD1 4.34Å; I75-I213 HydrophobicContact CD1-CD1 3.91Å; I75-I213 HydrophobicContact CG2-CD1 4.17Å; I75-S242 WeakPolarHBondContact CA-O 3.12Å; I75-I243 HydrophobicContact CG1-CG1 4.44Å; I75-I243 HydrophobicContact CG1-CG2 4.5Å; I75-L318 HydrophobicContact CD1-CD2 4.14Å; I75-L318 HydrophobicContact CG2-CD2 3.78Å
76	T	95.4	Very high	88.4	Confident	12 Å²	12	29.1 Å²	29.1	7%	0.074	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.4	179.1	-59.1	0	0	0	0	110.6	V109 C196 R197 H241 S242	T76-V109 HydrophobicContact CG2-CG2 3.77Å; T76-C196 CarbonylContact C-O 3.2Å; T76-C196 WeakPolarHBondContact CA-O 3.33Å; T76-R197 HydrophobicContact CG2-CB 4.4Å; T76-R197 WeakPolarHBondContact OG1-CG 3.25Å; T76-H241 CarbonylContact O-C 3.38Å; T76-H241 WeakPolarHBondContact O-CA 3.44Å; T76-H241 VanDerWaalsContact O-CB 3.23Å; T76-H241 WeakPolarHBondContact O-CB 3.27Å; T76-S242 PolarHBondContact N-O 2.89Å; T76-S242 PolarHBondContact O-N 3.39Å
77	L	94	Very high	89	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.1	168.7	-68.2	95.6	0	0	0	108.9	I75 F79 I80 L85 G195 C196 I198 I213 H241	I75-L77 HydrophobicContact CG2-CD1 4.36Å; L77-F79 PolarHBondContact O-N 2.91Å; L77-I80 HydrophobicContact CD2-CD1 4.11Å; L77-L85 HydrophobicContact CB-CD1 4.24Å; L77-L85 HydrophobicContact CD1-CD1 4Å; L77-L85 HydrophobicContact CD2-CD1 4.47Å; L77-L85 HydrophobicContact CD2-CD2 3.96Å; L77-L85 HydrophobicContact CG-CD1 4.47Å; L77-G195 CarbonylContact O-C 3.56Å; L77-G195 WeakPolarHBondContact O-CA 3.43Å; L77-C196 PolarHBondContact N-O 3.02Å; L77-C196 PolarHBondContact O-N 3.3Å; L77-I198 HydrophobicContact CD1-CD1 4.48Å; L77-I213 HydrophobicContact CD1-CG2 3.82Å; L77-I213 HydrophobicContact CD2-CG2 4.41Å; L77-H241 HydrophobicContact CG-CB 4.16Å
78	N	93.2	Very high	88.9	Confident	29 Å²	29	23 Å²	23	16%	0.155	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-19.9	-166.7	-63.9	79	0	0	0	114.8	V111 G195 S240	N78-V111 PolarHBondContact ND2-O 2.92Å; N78-G195 WeakPolarHBondContact O-CA 2.94Å; N78-G195 PolarHBondContact O-N 2.89Å; N78-S240 PolarHBondContact N-O 3.44Å
79	F	91.9	Very high	88.8	Confident	53 Å²	53	17.6 Å²	17.6	23%	0.232	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	6.8	-168.2	-58.5	-76.8	0	0	0	114	L77 V111 G192 E194 N238	L77-F79 PolarHBondContact O-N 2.91Å; F79-V111 HydrophobicContact CD1-CG1 4.11Å; F79-V111 HydrophobicContact CE1-CG1 3.42Å; F79-V111 VanDerWaalsContact CE1-CG1 3.42Å; F79-V111 HydrophobicContact CZ-CG1 3.89Å; F79-G192 WeakPolarHBondContact CD1-O 3.39Å; F79-G192 PolarHBondContact O-N 3.41Å; F79-E194 CarbonylContact C-O 3.44Å; F79-N238 HydrophobicContact CB-CB 3.93Å; F79-N238 HydrophobicContact CD2-CB 3.96Å; F79-N238 VanDerWaalsContact CD2-CG 3.44Å; F79-N238 WeakPolarHBondContact CD2-ND2 3.1Å; F79-N238 WeakPolarHBondContact CE2-ND2 3.41Å; F79-N238 HydrophobicContact CG-CB 4.06Å
80	I	90.4	Very high	88.6	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-127.4	116.9	-176.3	-47.1	-176.9	0	0	0	109.7	L77 F84 L85 E194 G195 C196 P215 F237 V239	L77-I80 HydrophobicContact CD2-CD1 4.11Å; I80-F84 HydrophobicContact CG2-CB 4.2Å; I80-L85 HydrophobicContact CB-CD1 4.13Å; I80-L85 HydrophobicContact CB-CD2 4.16Å; I80-L85 HydrophobicContact CB-CG 4.21Å; I80-L85 HydrophobicContact CD1-CD2 4.35Å; I80-L85 HydrophobicContact CG2-CD1 4.12Å; I80-L85 HydrophobicContact CG2-CD2 3.71Å; I80-L85 HydrophobicContact CG2-CG 3.68Å; I80-E194 CarbonylContact C-O 3.55Å; I80-E194 PolarHBondContact N-O 2.84Å; I80-E194 VanDerWaalsContact N-O 3.15Å; I80-G195 CarbonylContact O-C 3.55Å; I80-G195 VanDerWaalsContact O-C 3.28Å; I80-G195 WeakPolarHBondContact O-CA 3.48Å; I80-C196 WeakPolarHBondContact O-CB 3.28Å; I80-C196 PolarHBondContact O-N 3.06Å; I80-C196 VanDerWaalsContact O-N 3.14Å; I80-P215 HydrophobicContact CD1-CG 3.98Å; I80-F237 HydrophobicContact CD1-CB 4Å; I80-F237 HydrophobicContact CD1-CD1 4.04Å; I80-F237 HydrophobicContact CD1-CG 4.36Å; I80-F237 HydrophobicContact CG1-CD1 4.19Å; I80-F237 HydrophobicContact CG2-CD1 4.26Å; I80-F237 HydrophobicContact CG2-CE1 4.49Å; I80-V239 HydrophobicContact CD1-CG1 3.89Å
81	P	90.1	Very high	88.2	Confident	3 Å²	3	20.1 Å²	20.1	2%	0.019	10%	0.096	C	C	.	.			trans	-63.1	149.1	177.5	-21.7	29.8	0	0	0	112.9	R83 F84 K190 I191 E194	P81-R83 PolarHBondContact O-N 3.11Å; P81-R83 VanDerWaalsContact O-N 3.11Å; P81-F84 HydrophobicContact CB-CD2 3.99Å; P81-F84 HydrophobicContact CB-CE2 4.44Å; P81-F84 HydrophobicContact CG-CD2 3.98Å; P81-F84 HydrophobicContact CG-CE2 4.23Å; P81-F84 PolarHBondContact O-N 2.79Å; P81-K190 HydrophobicContact CG-CB 3.89Å; P81-I191 HydrophobicContact CG-CG1 4.34Å; P81-E194 WeakPolarHBondContact CD-O 3.34Å; P81-E194 HydrophobicContact CG-CB 4.33Å
82	C	88.4	Confident	87.6	Confident	16 Å²	16	25.4 Å²	25.4	11%	0.108	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31	-176.8	-67.7	0	0	0	0	114.6	F84 L85 K106 T107 C196	C82-F84 PolarHBondContact O-N 2.82Å; C82-L85 PolarHBondContact O-N 2.77Å; C82-K106 HydrophobicContact CB-CB 4Å; C82-K106 HydrophobicContact CB-CD 4.31Å; C82-T107 PolarHBondContact SG-O 3.42Å; C82-T107 VanDerWaalsContact SG-O 3.37Å; C82-C196 WeakPolarHBondContact CA-SG 3.49Å; C82-C196 HydrophobicContact CB-CB 3.88Å; C82-C196 WeakPolarHBondContact CB-SG 3.39Å; C82-C196 WeakPolarHBondContact SG-CA 2.97Å; C82-C196 WeakPolarHBondContact SG-CB 3.47Å; C82-C196 CovalentContact SG-SG 2.03Å; C82-C196 PolarHBondContact SG-SG 3.08Å
83	R	82.7	Confident	86.7	Confident	84 Å²	84	27.8 Å²	27.8	32%	0.317	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-64.9	-24.2	179.7	-173.8	163.5	-179.2	167.7	0.5	113.1	P81 E182	P81-R83 PolarHBondContact O-N 3.11Å; P81-R83 VanDerWaalsContact O-N 3.11Å; R83-E182 IonicContact CZ-OE2 3.78Å; R83-E182 IonicContact NH1-OE2 3.48Å; R83-E182 IonicContact NH2-OE2 3.24Å; R83-E182 PolarHBondContact NH2-OE2 3.41Å
84	F	82.3	Confident	85.5	Confident	6 Å²	6	29.6 Å²	29.6	3%	0.026	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-94.5	-11.1	178.7	-62.9	-64.1	0	0	0	113.1	I80 P81 C82 W184 I187 I191 P215 G216 L232	I80-F84 HydrophobicContact CG2-CB 4.2Å; P81-F84 HydrophobicContact CB-CD2 3.99Å; P81-F84 HydrophobicContact CB-CE2 4.44Å; P81-F84 HydrophobicContact CG-CD2 3.98Å; P81-F84 HydrophobicContact CG-CE2 4.23Å; P81-F84 PolarHBondContact O-N 2.79Å; C82-F84 PolarHBondContact O-N 2.82Å; F84-W184 HydrophobicContact CD1-CH2 4.27Å; F84-W184 HydrophobicContact CD1-CZ2 4.44Å; F84-W184 AromaticContact CE1-CH2 3.55Å; F84-W184 HydrophobicContact CE1-CH2 3.55Å; F84-W184 AromaticContact CE1-CZ2 3.49Å; F84-W184 HydrophobicContact CE1-CZ2 3.49Å; F84-W184 VanDerWaalsContact CE1-CZ2 3.49Å; F84-W184 HydrophobicContact CE1-CZ3 4.37Å; F84-W184 HydrophobicContact CZ-CH2 4.37Å; F84-W184 HydrophobicContact CZ-CZ2 4.23Å; F84-I187 HydrophobicContact CE2-CG2 3.75Å; F84-I187 HydrophobicContact CZ-CG2 3.69Å; F84-I191 HydrophobicContact CD2-CD1 4.14Å; F84-I191 HydrophobicContact CD2-CG1 3.94Å; F84-I191 HydrophobicContact CE2-CD1 3.76Å; F84-I191 HydrophobicContact CE2-CG1 3.65Å; F84-I191 HydrophobicContact CZ-CD1 4.05Å; F84-I191 HydrophobicContact CZ-CG1 4.4Å; F84-P215 CarbonylContact O-C 3.59Å; F84-P215 WeakPolarHBondContact O-CA 3.19Å; F84-G216 PolarHBondContact O-N 2.9Å; F84-L232 HydrophobicContact CD1-CD1 4.28Å; F84-L232 HydrophobicContact CD1-CD2 3.46Å; F84-L232 VanDerWaalsContact CD1-CD2 3.46Å; F84-L232 HydrophobicContact CD1-CG 4.34Å; F84-L232 HydrophobicContact CE1-CD2 3.27Å; F84-L232 HydrophobicContact CE1-CG 4.43Å; F84-L232 HydrophobicContact CG-CD2 4.25Å; F84-L232 HydrophobicContact CZ-CD2 3.96Å
85	L	84.7	Confident	84	Confident	6 Å²	6	30.6 Å²	30.6	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.7	-175	-70.8	165.4	0	0	0	111.1	L77 I80 C82 K106 C196 I198 I213 A214	L77-L85 HydrophobicContact CB-CD1 4.24Å; L77-L85 HydrophobicContact CD1-CD1 4Å; L77-L85 HydrophobicContact CD2-CD1 4.47Å; L77-L85 HydrophobicContact CD2-CD2 3.96Å; L77-L85 HydrophobicContact CG-CD1 4.47Å; I80-L85 HydrophobicContact CB-CD1 4.13Å; I80-L85 HydrophobicContact CB-CD2 4.16Å; I80-L85 HydrophobicContact CB-CG 4.21Å; I80-L85 HydrophobicContact CD1-CD2 4.35Å; I80-L85 HydrophobicContact CG2-CD1 4.12Å; I80-L85 HydrophobicContact CG2-CD2 3.71Å; I80-L85 HydrophobicContact CG2-CG 3.68Å; C82-L85 PolarHBondContact O-N 2.77Å; L85-K106 PolarHBondContact O-NZ 3.05Å; L85-C196 HydrophobicContact CD1-CB 3.39Å; L85-I198 HydrophobicContact CB-CD1 4.48Å; L85-I213 HydrophobicContact CD2-CG2 3.91Å; L85-A214 WeakPolarHBondContact CA-O 3.45Å
86	S	82.8	Confident	82.3	Confident	9 Å²	9	32.6 Å²	32.6	6%	0.063	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	147.6	167.2	46.8	0	0	0	0	109.8	I213 A214 G216 H227	S86-I213 VanDerWaalsContact O-CA 3.29Å; S86-I213 WeakPolarHBondContact O-CA 3.35Å; S86-A214 PolarHBondContact N-O 3.15Å; S86-A214 PolarHBondContact O-N 3.32Å; S86-A214 VanDerWaalsContact O-N 3.11Å; S86-A214 PolarHBondContact OG-O 3.02Å; S86-A214 VanDerWaalsContact OG-O 3.09Å; S86-G216 WeakPolarHBondContact CB-O 3.27Å; S86-G216 PolarHBondContact OG-O 2.98Å; S86-H227 PolarHBondContact OG-CE1 3.13Å; S86-H227 PolarHBondContact OG-ND1 3.15Å
87	L	85.9	Confident	80.5	Confident	15 Å²	15	34 Å²	34	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.2	172.2	168.6	66.4	0	0	0	106.2	M73 V104 I198 L202 F211 I213	M73-L87 HydrophobicContact CE-CD1 4.47Å; M73-L87 HydrophobicContact SD-CD1 4.15Å; M73-L87 HydrophobicContact SD-CD2 3.88Å; L87-V104 HydrophobicContact CD2-CG1 4.04Å; L87-V104 HydrophobicContact CD2-CG2 4.29Å; L87-I198 HydrophobicContact CD2-CG2 4.29Å; L87-L202 HydrophobicContact CD2-CD1 4.24Å; L87-F211 HydrophobicContact CD1-CD2 4.05Å; L87-I213 HydrophobicContact CD1-CD1 4.39Å; L87-I213 HydrophobicContact CD1-CG1 3.67Å
88	D	81.7	Confident	78.4	Confident	11 Å²	11	38.1 Å²	38.1	6%	0.059	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	157.3	179.8	-41.9	-67.3	0	0	0	111.2	F211 H212 S218 H225 H227	D88-F211 CarbonylContact O-C 3.38Å; D88-F211 WeakPolarHBondContact O-CA 3.28Å; D88-F211 WeakPolarHBondContact O-CB 3.19Å; D88-H212 WeakPolarHBondContact CB-NE2 3.18Å; D88-H212 PolarHBondContact N-O 3.47Å; D88-H212 PolarHBondContact O-N 3.13Å; D88-H212 IonicContact OD2-CD2 3.48Å; D88-H212 PolarHBondContact OD2-CD2 3.35Å; D88-H212 IonicContact OD2-CE1 2.79Å; D88-H212 IonicContact OD2-NE2 3.42Å; D88-H212 PolarHBondContact OD2-NE2 2.88Å; D88-S218 VanDerWaalsContact CG-CB 3.49Å; D88-S218 WeakPolarHBondContact OD1-CB 3.42Å; D88-S218 PolarHBondContact OD1-OG 3.5Å; D88-S218 VanDerWaalsContact OD2-CB 3.32Å; D88-S218 WeakPolarHBondContact OD2-CB 3.14Å; D88-H225 IonicContact OD1-NE2 3.07Å; D88-H225 IonicContact OD2-CE1 3.55Å; D88-H225 PolarHBondContact OD2-CE1 3.45Å; D88-H225 IonicContact OD2-NE2 3.6Å; D88-H225 PolarHBondContact OD2-NE2 3.21Å; D88-H227 IonicContact OD2-CE1 2.7Å; D88-H227 PolarHBondContact OD2-CE1 3.41Å; D88-H227 IonicContact OD2-NE2 3.6Å; D88-H227 PolarHBondContact OD2-NE2 2.93Å
89	T	83.2	Confident	76	Confident	12 Å²	12	43.1 Å²	43.1	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140	178.7	66.8	0	0	0	0	110.7	Q97 V100 L202 V204 A210 F211	T89-Q97 PolarHBondContact OG1-O 3.41Å; T89-V100 HydrophobicContact CG2-CG2 4.41Å; T89-L202 HydrophobicContact CG2-CD1 3.87Å; T89-L202 HydrophobicContact CG2-CD2 3.62Å; T89-L202 HydrophobicContact CG2-CG 4.1Å; T89-V204 HydrophobicContact CG2-CG1 4.26Å; T89-A210 WeakPolarHBondContact CA-O 2.87Å; T89-F211 HydrophobicContact CG2-CB 3.97Å
90	M	80.4	Confident	74	Confident	79 Å²	79	40.8 Å²	40.8	39%	0.389	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	121.6	178	-174.6	171.5	-174.2	0	0	109.7	G209 A210	M90-G209 CarbonylContact O-C 3.38Å; M90-G209 WeakPolarHBondContact O-CA 3.19Å; M90-A210 PolarHBondContact N-O 3.46Å; M90-A210 PolarHBondContact O-N 3.4Å
91	D	81	Confident	72	Confident	15 Å²	15	48 Å²	48	8%	0.08	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	169.4	172	69.5	25.8	0	0	0	112.3	T93 G94 A95 N205 V207	D91-T93 VanDerWaalsContact CG-OG1 3.24Å; D91-T93 PolarHBondContact O-N 2.95Å; D91-T93 WeakPolarHBondContact OD1-CA 3.49Å; D91-T93 WeakPolarHBondContact OD1-CB 3.29Å; D91-T93 PolarHBondContact OD1-N 2.81Å; D91-T93 PolarHBondContact OD1-OG1 3.46Å; D91-T93 PolarHBondContact OD2-OG1 3.06Å; D91-G94 PolarHBondContact O-N 2.93Å; D91-G94 PolarHBondContact OD1-N 3.25Å; D91-G94 VanDerWaalsContact OD1-N 3.11Å; D91-A95 PolarHBondContact OD1-N 2.64Å; D91-N205 PolarHBondContact OD2-ND2 3.26Å; D91-V207 HydrophobicContact CB-CG2 3.73Å
92	T	77.2	Confident	70.5	Confident	110 Å²	110	49.1 Å²	49.1	68%	0.675	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.9	176.7	48.4	0	0	0	0	113.8	G94 G208	T92-G94 PolarHBondContact O-N 2.86Å; T92-G208 WeakPolarHBondContact CG2-O 3.27Å; T92-G208 PolarHBondContact N-O 3.26Å; T92-G208 PolarHBondContact OG1-O 3.2Å
93	T	72.7	Confident	70.2	Confident	101 Å²	101	53.5 Å²	53.5	62%	0.62	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.3	175.8	75.3	0	0	0	0	111.8	D91 A95	D91-T93 VanDerWaalsContact CG-OG1 3.24Å; D91-T93 PolarHBondContact O-N 2.95Å; D91-T93 WeakPolarHBondContact OD1-CA 3.49Å; D91-T93 WeakPolarHBondContact OD1-CB 3.29Å; D91-T93 PolarHBondContact OD1-N 2.81Å; D91-T93 PolarHBondContact OD1-OG1 3.46Å; D91-T93 PolarHBondContact OD2-OG1 3.06Å; T93-A95 PolarHBondContact O-N 3.14Å; T93-A95 WeakPolarHBondContact OG1-CB 3.25Å; T93-A95 PolarHBondContact OG1-N 2.88Å
94	G	67.8	Low	70.4	Confident	38 Å²	38	49.5 Å²	49.5	39%	0.392	28%	0.276	S	S	.	.			trans	74.2	5.5	-172	0	0	0	0	0	112.7	D91 T92 Q96	D91-G94 PolarHBondContact O-N 2.93Å; D91-G94 PolarHBondContact OD1-N 3.25Å; D91-G94 VanDerWaalsContact OD1-N 3.11Å; T92-G94 PolarHBondContact O-N 2.86Å; G94-Q96 PolarHBondContact O-N 2.82Å
95	A	63.7	Low	70.8	Confident	41 Å²	41	53.2 Å²	53.2	34%	0.339	29%	0.291	S	S	.	.			trans	-69.2	106.9	175.3	0	0	0	0	0	108.2	D91 T93 Q97	D91-A95 PolarHBondContact OD1-N 2.64Å; T93-A95 PolarHBondContact O-N 3.14Å; T93-A95 WeakPolarHBondContact OG1-CB 3.25Å; T93-A95 PolarHBondContact OG1-N 2.88Å; A95-Q97 PolarHBondContact O-N 2.84Å
96	Q	59.6	Low	71.2	Confident	43 Å²	43	54.1 Å²	54.1	20%	0.201	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-79.5	107.6	172.3	-66.8	-86.4	-45.8	0	0	107	G94 L98 T220 H225	G94-Q96 PolarHBondContact O-N 2.82Å; Q96-L98 HydrophobicContact CB-CG 4.43Å; Q96-L98 PolarHBondContact O-N 3.01Å; Q96-T220 HydrophobicContact CG-CG2 4.42Å; Q96-H225 PolarHBondContact OE1-CD2 3.17Å
97	Q	56.2	Low	71.7	Confident	41 Å²	41	54 Å²	54	19%	0.192	29%	0.293	C	S	.	.			trans	-80.8	78.2	166.4	-63.3	-165	47.6	0	0	107.7	T89 A95 N99 V100 N205	T89-Q97 PolarHBondContact OG1-O 3.41Å; A95-Q97 PolarHBondContact O-N 2.84Å; Q97-N99 PolarHBondContact O-N 3Å; Q97-N99 VanDerWaalsContact O-N 3.17Å; Q97-V100 HydrophobicContact CB-CG2 3.61Å; Q97-V100 WeakPolarHBondContact O-CG2 3.29Å; Q97-N205 PolarHBondContact NE2-ND2 2.84Å; Q97-N205 PolarHBondContact NE2-OD1 2.91Å
98	L	49.6	Very low	72.1	Confident	88 Å²	88	54.4 Å²	54.4	46%	0.461	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-12	164.5	-69.4	165.4	0	0	0	111.5	Q96	Q96-L98 HydrophobicContact CB-CG 4.43Å; Q96-L98 PolarHBondContact O-N 3.01Å
99	N	44.1	Very low	72.7	Confident	134 Å²	134	54 Å²	54	72%	0.717	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	40.5	-168.1	-144.2	-2	0	0	0	110.9	Q97 M101	Q97-N99 PolarHBondContact O-N 3Å; Q97-N99 VanDerWaalsContact O-N 3.17Å; N99-M101 PolarHBondContact O-N 3.18Å
100	V	49.6	Very low	73.2	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.024	30%	0.303	C	S	.	.			trans	-58.4	129.8	173.5	176.7	0	0	0	0	107.7	T89 Q97 H102 L202 T203	T89-V100 HydrophobicContact CG2-CG2 4.41Å; Q97-V100 HydrophobicContact CB-CG2 3.61Å; Q97-V100 WeakPolarHBondContact O-CG2 3.29Å; V100-H102 PolarHBondContact O-CE1 2.92Å; V100-H102 PolarHBondContact O-N 2.89Å; V100-H102 PolarHBondContact O-ND1 2.8Å; V100-L202 HydrophobicContact CB-CD1 3.88Å; V100-L202 HydrophobicContact CG1-CD1 3.64Å; V100-L202 HydrophobicContact CG1-CG 4.15Å; V100-L202 HydrophobicContact CG2-CD1 3.81Å; V100-T203 VanDerWaalsContact CG1-O 3.27Å; V100-T203 WeakPolarHBondContact CG1-O 3.41Å
101	M	49.1	Very low	73.7	Confident	152 Å²	152	53.4 Å²	53.4	75%	0.749	30%	0.297	S	S	*	.			trans	-58.3	103.5	177.4	-63.6	-168.7	68.3	0	0	109.1	N99 E103	N99-M101 PolarHBondContact O-N 3.18Å; M101-E103 PolarHBondContact O-N 3.28Å
102	H	58.9	Low	74.2	Confident	27 Å²	27	59.6 Å²	59.6	13%	0.125	33%	0.33	C	S	.	.			trans	-79.6	110.9	-160.4	-69.8	95.5	0	0	0	113.1	V100 R121 H122 V124	V100-H102 PolarHBondContact O-CE1 2.92Å; V100-H102 PolarHBondContact O-N 2.89Å; V100-H102 PolarHBondContact O-ND1 2.8Å; H102-R121 VanDerWaalsContact O-CZ 3.26Å; H102-R121 PolarHBondContact O-NE 2.87Å; H102-R121 PolarHBondContact O-NH2 2.83Å; H102-H122 AromaticContact CD2-CD2 3.61Å; H102-H122 PolarHBondContact CD2-O 2.8Å; H102-H122 AromaticContact NE2-CD2 3.56Å; H102-V124 WeakPolarHBondContact NE2-CG2 3.39Å
103	E	81.3	Confident	74.7	Confident	107 Å²	107	55.7 Å²	55.7	50%	0.5	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	27.2	148.6	-66.7	-174.5	166.1	0	0	110.6	M101 Y105 G200 N201	M101-E103 PolarHBondContact O-N 3.28Å; E103-Y105 HydrophobicContact CB-CE2 4.42Å; E103-Y105 WeakPolarHBondContact O-CD2 3.34Å; E103-Y105 VanDerWaalsContact O-CE2 3.27Å; E103-Y105 WeakPolarHBondContact O-CE2 3.23Å; E103-G200 WeakPolarHBondContact O-CA 3.01Å; E103-N201 HydrophobicContact CB-CB 4.19Å; E103-N201 PolarHBondContact O-N 3.17Å; E103-N201 PolarHBondContact OE2-ND2 3.36Å
104	V	87.1	Confident	75.5	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.5	174.8	-177.4	0	0	0	0	109.3	L87 H122 I198 H199 L202	L87-V104 HydrophobicContact CD2-CG1 4.04Å; L87-V104 HydrophobicContact CD2-CG2 4.29Å; V104-H122 HydrophobicContact CB-CB 4.24Å; V104-H122 HydrophobicContact CG1-CB 4.3Å; V104-H122 VanDerWaalsContact O-CB 3.27Å; V104-H122 WeakPolarHBondContact O-CB 3.37Å; V104-H122 PolarHBondContact O-N 2.73Å; V104-I198 HydrophobicContact CG1-CG2 3.59Å; V104-H199 CarbonylContact C-O 3.41Å; V104-H199 WeakPolarHBondContact CA-O 3.41Å; V104-L202 HydrophobicContact CG2-CB 4.43Å
105	Y	91.1	Very high	76.7	Confident	84 Å²	84	57.6 Å²	57.6	33%	0.329	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.4	179.8	-63	-94.6	0	0	0	109.9	E103 V120 R121 I198 H199	E103-Y105 HydrophobicContact CB-CE2 4.42Å; E103-Y105 WeakPolarHBondContact O-CD2 3.34Å; E103-Y105 VanDerWaalsContact O-CE2 3.27Å; E103-Y105 WeakPolarHBondContact O-CE2 3.23Å; Y105-V120 WeakPolarHBondContact CA-O 3.39Å; Y105-R121 HydrophobicContact CD1-CB 4.01Å; Y105-R121 HydrophobicContact CD1-CG 4.45Å; Y105-R121 HydrophobicContact CE1-CB 3.87Å; Y105-R121 HydrophobicContact CE1-CG 4.13Å; Y105-I198 WeakPolarHBondContact O-CA 3.45Å; Y105-H199 PolarHBondContact N-O 2.64Å; Y105-H199 PolarHBondContact O-N 3.48Å
106	K	92.4	Very high	77.8	Confident	24 Å²	24	60.2 Å²	60.2	10%	0.104	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.3	175.1	-66.2	-172.9	-177.9	173.2	0	108.5	C82 L85 V120 H122 R197 I198	C82-K106 HydrophobicContact CB-CB 4Å; C82-K106 HydrophobicContact CB-CD 4.31Å; L85-K106 PolarHBondContact O-NZ 3.05Å; K106-V120 PolarHBondContact N-O 2.89Å; K106-V120 PolarHBondContact O-N 2.83Å; K106-H122 VanDerWaalsContact CE-ND1 3.32Å; K106-H122 WeakPolarHBondContact CE-ND1 3.2Å; K106-H122 HydrophobicContact CG-CB 4.46Å; K106-H122 PolarHBondContact NZ-CE1 3.4Å; K106-H122 PolarHBondContact NZ-ND1 2.81Å; K106-R197 CarbonylContact C-O 3.56Å; K106-R197 WeakPolarHBondContact CA-O 2.96Å; K106-I198 HydrophobicContact CG-CG1 4.34Å
107	T	93.4	Very high	78.9	Confident	8 Å²	8	60.5 Å²	60.5	5%	0.049	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.6	-179.9	-48.2	0	0	0	0	108.6	C82 V109 P115 S117 S119 R197 H199	C82-T107 PolarHBondContact SG-O 3.42Å; C82-T107 VanDerWaalsContact SG-O 3.37Å; T107-V109 PolarHBondContact O-N 2.94Å; T107-P115 HydrophobicContact CG2-CB 4.2Å; T107-S117 VanDerWaalsContact CG2-O 3.26Å; T107-S117 WeakPolarHBondContact CG2-O 3.48Å; T107-S119 WeakPolarHBondContact OG1-CA 3.44Å; T107-S119 VanDerWaalsContact OG1-CB 3.28Å; T107-S119 WeakPolarHBondContact OG1-CB 3.4Å; T107-R197 PolarHBondContact N-O 2.59Å; T107-R197 PolarHBondContact O-N 3.2Å; T107-H199 PolarHBondContact OG1-CE1 2.97Å
108	S	93.9	Very high	80.2	Confident	23 Å²	23	65.7 Å²	65.7	16%	0.161	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	131.6	172	-75.9	0	0	0	0	109.5	V116 S117 E194	S108-V116 PolarHBondContact O-N 2.83Å; S108-S117 WeakPolarHBondContact CB-OG 3.44Å; S108-S117 PolarHBondContact N-OG 2.97Å; S108-E194 WeakPolarHBondContact CB-OE1 3.15Å; S108-E194 PolarHBondContact OG-OE1 2.81Å
109	V	94.9	Very high	81.7	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155	179.5	-62.7	0	0	0	0	111	T76 T107 T114 G195 R197	T76-V109 HydrophobicContact CG2-CG2 3.77Å; T107-V109 PolarHBondContact O-N 2.94Å; V109-T114 CarbonylContact C-O 3.53Å; V109-T114 WeakPolarHBondContact CA-O 3.47Å; V109-T114 WeakPolarHBondContact CB-O 3.47Å; V109-G195 PolarHBondContact N-O 2.9Å; V109-G195 PolarHBondContact O-N 3.2Å; V109-R197 HydrophobicContact CG1-CB 3.77Å
110	S	93.4	Very high	83.5	Confident	36 Å²	36	62 Å²	62	25%	0.252	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	166.6	166.2	-173.3	0	0	0	0	110.1	D112 G113 T114 V116	S110-D112 PolarHBondContact O-N 2.62Å; S110-D112 VanDerWaalsContact O-N 3.16Å; S110-G113 WeakPolarHBondContact O-CA 3.41Å; S110-G113 PolarHBondContact O-N 2.86Å; S110-T114 VanDerWaalsContact CB-OG1 3.23Å; S110-T114 WeakPolarHBondContact CB-OG1 3.44Å; S110-T114 PolarHBondContact N-O 2.77Å; S110-V116 VanDerWaalsContact N-CG2 3.33Å
111	V	91.8	Very high	84.7	Confident	44 Å²	44	68.7 Å²	68.7	27%	0.267	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.5	174.3	-179.8	0	0	0	0	111.8	N78 F79 G113 N193	N78-V111 PolarHBondContact ND2-O 2.92Å; F79-V111 HydrophobicContact CD1-CG1 4.11Å; F79-V111 HydrophobicContact CE1-CG1 3.42Å; F79-V111 VanDerWaalsContact CE1-CG1 3.42Å; F79-V111 HydrophobicContact CZ-CG1 3.89Å; V111-G113 PolarHBondContact O-N 3.35Å; V111-N193 WeakPolarHBondContact CG2-O 3.23Å
112	D	89.8	Confident	85.5	Confident	144 Å²	144	62.9 Å²	62.9	77%	0.77	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.6	176.9	-61.3	-44.9	0	0	0	114.1	S110	S110-D112 PolarHBondContact O-N 2.62Å; S110-D112 VanDerWaalsContact O-N 3.16Å
113	G	87.6	Confident	85.4	Confident	29 Å²	29	63.3 Å²	63.3	30%	0.299	36%	0.358	S	S	.	.	S	Bend	trans	90.4	5.4	-178.4	0	0	0	0	0	115.1	S110 V111	S110-G113 WeakPolarHBondContact O-CA 3.41Å; S110-G113 PolarHBondContact O-N 2.86Å; V111-G113 PolarHBondContact O-N 3.35Å
114	T	90.8	Very high	83.8	Confident	79 Å²	79	60.9 Å²	60.9	49%	0.485	35%	0.35	S	S	.	.			trans	-72.6	138.2	174.3	53.3	0	0	0	0	111.2	V109 S110 V116	V109-T114 CarbonylContact C-O 3.53Å; V109-T114 WeakPolarHBondContact CA-O 3.47Å; V109-T114 WeakPolarHBondContact CB-O 3.47Å; S110-T114 VanDerWaalsContact CB-OG1 3.23Å; S110-T114 WeakPolarHBondContact CB-OG1 3.44Å; S110-T114 PolarHBondContact N-O 2.77Å; T114-V116 PolarHBondContact O-N 2.84Å
115	P	91.6	Very high	81.7	Confident	99 Å²	99	67.5 Å²	67.5	64%	0.643	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-66.9	130.1	177.6	27.6	-33.2	0	0	0	110.9	T107	T107-P115 HydrophobicContact CG2-CB 4.2Å
116	V	87.8	Confident	79.4	Confident	97 Å²	97	68.1 Å²	68.1	59%	0.588	40%	0.395	S	S	*	.			trans	-104.8	-26.4	179.5	176.7	0	0	0	0	111.3	S108 S110 T114	S108-V116 PolarHBondContact O-N 2.83Å; S110-V116 VanDerWaalsContact N-CG2 3.33Å; T114-V116 PolarHBondContact O-N 2.84Å
117	S	82.5	Confident	76.8	Confident	49 Å²	49	69.9 Å²	69.9	34%	0.343	41%	0.414	S	S	.	.	S	Bend	trans	-131.7	167.9	179.2	75.4	0	0	0	0	111.4	T107 S108	T107-S117 VanDerWaalsContact CG2-O 3.26Å; T107-S117 WeakPolarHBondContact CG2-O 3.48Å; S108-S117 WeakPolarHBondContact CB-OG 3.44Å; S108-S117 PolarHBondContact N-OG 2.97Å
118	D	83.9	Confident	74.2	Confident	149 Å²	149	73.3 Å²	73.3	80%	0.797	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-62.4	153.1	165	-64.3	-37.5	0	0	0	110.9	V120	D118-V120 PolarHBondContact O-N 2.67Å
119	S	81.3	Confident	71.8	Confident	61 Å²	61	75.5 Å²	75.5	43%	0.427	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-72.3	118.2	177.4	56.4	0	0	0	0	110.5	T107	T107-S119 WeakPolarHBondContact OG1-CA 3.44Å; T107-S119 VanDerWaalsContact OG1-CB 3.28Å; T107-S119 WeakPolarHBondContact OG1-CB 3.4Å
120	V	81.8	Confident	69.5	Low	84 Å²	84	79 Å²	79	51%	0.509	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129.5	175.2	-176.6	0	0	0	0	108.5	Y105 K106 D118 H122	Y105-V120 WeakPolarHBondContact CA-O 3.39Å; K106-V120 PolarHBondContact N-O 2.89Å; K106-V120 PolarHBondContact O-N 2.83Å; D118-V120 PolarHBondContact O-N 2.67Å; V120-H122 PolarHBondContact O-N 3.07Å
121	R	75.3	Confident	67.2	Low	145 Å²	145	83.5 Å²	83.5	55%	0.547	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	132.8	174.2	-170.2	-179.7	-176.4	-169.7	2.1	108.9	H102 Y105 A123	H102-R121 VanDerWaalsContact O-CZ 3.26Å; H102-R121 PolarHBondContact O-NE 2.87Å; H102-R121 PolarHBondContact O-NH2 2.83Å; Y105-R121 HydrophobicContact CD1-CB 4.01Å; Y105-R121 HydrophobicContact CD1-CG 4.45Å; Y105-R121 HydrophobicContact CE1-CB 3.87Å; Y105-R121 HydrophobicContact CE1-CG 4.13Å; R121-A123 PolarHBondContact O-N 2.83Å
122	H	64.9	Low	65.2	Low	29 Å²	29	84 Å²	84	13%	0.134	51%	0.506	C	S	.	.			trans	-65.6	109.3	170.1	-173.9	42.6	0	0	0	108	H102 V104 K106 V120	H102-H122 AromaticContact CD2-CD2 3.61Å; H102-H122 PolarHBondContact CD2-O 2.8Å; H102-H122 AromaticContact NE2-CD2 3.56Å; V104-H122 HydrophobicContact CB-CB 4.24Å; V104-H122 HydrophobicContact CG1-CB 4.3Å; V104-H122 VanDerWaalsContact O-CB 3.27Å; V104-H122 WeakPolarHBondContact O-CB 3.37Å; V104-H122 PolarHBondContact O-N 2.73Å; K106-H122 VanDerWaalsContact CE-ND1 3.32Å; K106-H122 WeakPolarHBondContact CE-ND1 3.2Å; K106-H122 HydrophobicContact CG-CB 4.46Å; K106-H122 PolarHBondContact NZ-CE1 3.4Å; K106-H122 PolarHBondContact NZ-ND1 2.81Å; V120-H122 PolarHBondContact O-N 3.07Å
123	A	56.9	Low	63.4	Low	37 Å²	37	84 Å²	84	31%	0.306	51%	0.511	S	S	.	.			trans	-111.5	114.6	173	0	0	0	0	0	108.2	R121 N125 D126	R121-A123 PolarHBondContact O-N 2.83Å; A123-N125 PolarHBondContact O-N 2.76Å; A123-D126 HydrophobicContact CB-CB 3.56Å; A123-D126 WeakPolarHBondContact CB-OD2 3.48Å
124	V	48.8	Very low	62.3	Low	55 Å²	55	85 Å²	85	33%	0.333	51%	0.505	S	S	.	.	S	Bend	trans	-77.2	115.7	167.3	179.3	0	0	0	0	106	H102	H102-V124 WeakPolarHBondContact NE2-CG2 3.39Å
125	N	42.8	Very low	61.5	Low	141 Å²	141	86.2 Å²	86.2	75%	0.754	51%	0.509	S	S	*	.	S	Bend	trans	74.3	16.5	179.4	-51.8	-35.7	0	0	0	118.6	A123 A127	A123-N125 PolarHBondContact O-N 2.76Å; N125-A127 PolarHBondContact O-N 3.32Å; N125-A127 VanDerWaalsContact O-N 3.17Å
126	D	41.8	Very low	60.9	Low	96 Å²	96	87.6 Å²	87.6	51%	0.513	52%	0.518	S	S	.	.			trans	-81.5	97	163.9	-93.1	-50.7	0	0	0	110.3	A123 S128	A123-D126 HydrophobicContact CB-CB 3.56Å; A123-D126 WeakPolarHBondContact CB-OD2 3.48Å; D126-S128 VanDerWaalsContact CB-OG 3.31Å; D126-S128 WeakPolarHBondContact CB-OG 3.49Å; D126-S128 PolarHBondContact O-N 3.4Å; D126-S128 PolarHBondContact OD1-OG 2.86Å
127	A	38.5	Very low	60.8	Low	62 Å²	62	90 Å²	90	51%	0.512	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-6.2	156.9	0	0	0	0	0	112.6	N125	N125-A127 PolarHBondContact O-N 3.32Å; N125-A127 VanDerWaalsContact O-N 3.17Å
128	S	38.7	Very low	61	Low	80 Å²	80	90.1 Å²	90.1	56%	0.559	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-17	-175	68.5	0	0	0	0	114.8	D126 L130	D126-S128 VanDerWaalsContact CB-OG 3.31Å; D126-S128 WeakPolarHBondContact CB-OG 3.49Å; D126-S128 PolarHBondContact O-N 3.4Å; D126-S128 PolarHBondContact OD1-OG 2.86Å; S128-L130 VanDerWaalsContact C-N 3.3Å; S128-L130 PolarHBondContact O-N 2.93Å
129	A	43.8	Very low	61.4	Low	69 Å²	69	86.7 Å²	86.7	57%	0.57	51%	0.508	S	S	*	.	S	Bend	trans	-77.1	-17.4	179.3	0	0	0	0	0	113.3
130	L	46.7	Very low	61.8	Low	75 Å²	75	83.8 Å²	83.8	39%	0.393	49%	0.488	S	S	.	.	S	Bend	trans	-96.6	110.5	161.2	-128.9	72.6	0	0	0	106	S128 T132 E182	S128-L130 VanDerWaalsContact C-N 3.3Å; S128-L130 PolarHBondContact O-N 2.93Å; L130-T132 HydrophobicContact CB-CG2 4.19Å; L130-T132 PolarHBondContact O-N 2.79Å; L130-E182 HydrophobicContact CD2-CG 3.77Å
131	T	44.6	Very low	62.4	Low	129 Å²	129	82.5 Å²	82.5	79%	0.791	48%	0.482	S	S	*	.			trans	-59.1	77.9	160.7	-38.5	0	0	0	0	106.7	T133	T131-T133 PolarHBondContact O-N 2.9Å
132	T	49.1	Very low	63.2	Low	56 Å²	56	75.6 Å²	75.6	34%	0.344	46%	0.456	S	S	.	.			trans	-64.6	111.3	172.5	58.9	0	0	0	0	103.3	L130 R134 T155	L130-T132 HydrophobicContact CB-CG2 4.19Å; L130-T132 PolarHBondContact O-N 2.79Å; T132-R134 PolarHBondContact O-N 3.16Å; T132-T155 HydrophobicContact CG2-CG2 4.48Å
133	T	53.4	Low	64.5	Low	143 Å²	143	78 Å²	78	88%	0.877	47%	0.465	S	S	*	.			trans	-68.5	41.4	173	55.8	0	0	0	0	109.8	T131	T131-T133 PolarHBondContact O-N 2.9Å
134	R	63.2	Low	66.1	Low	49 Å²	49	78.3 Å²	78.3	19%	0.185	47%	0.471	C	S	.	.	S	Bend	trans	-111.4	149.2	-171.4	-65.5	-169	-167.8	-179.7	21.9	109.1	T132 Y138 N154 E182	T132-R134 PolarHBondContact O-N 3.16Å; R134-Y138 PolarHBondContact NH1-OH 2.72Å; R134-N154 PolarHBondContact NH1-O 2.76Å; R134-N154 PolarHBondContact NH2-O 2.89Å; R134-E182 IonicContact NH2-OE1 2.78Å
135	D	75.3	Confident	68.1	Low	106 Å²	106	75.7 Å²	75.7	57%	0.567	46%	0.455	S	S	*	.			trans	-57.3	136.8	173.7	-169.5	-58.2	0	0	0	110	N137 Y138	D135-N137 PolarHBondContact O-N 3Å; D135-N137 VanDerWaalsContact O-N 3.11Å; D135-N137 WeakPolarHBondContact OD1-CB 3.48Å; D135-N137 PolarHBondContact OD1-N 2.85Å; D135-Y138 WeakPolarHBondContact O-CB 3.48Å; D135-Y138 PolarHBondContact O-N 2.66Å
136	P	78	Confident	70.4	Confident	128 Å²	128	72.7 Å²	72.7	83%	0.831	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-26.2	174.6	-26.6	34.6	0	0	0	114.8
137	N	85.4	Confident	72.6	Confident	146 Å²	146	69 Å²	69	78%	0.781	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	8.3	177.9	-69.9	-22.5	0	0	0	113.5	D135 C139	D135-N137 PolarHBondContact O-N 3Å; D135-N137 VanDerWaalsContact O-N 3.11Å; D135-N137 WeakPolarHBondContact OD1-CB 3.48Å; D135-N137 PolarHBondContact OD1-N 2.85Å; N137-C139 PolarHBondContact O-N 2.93Å
138	Y	87.2	Confident	74.9	Confident	52 Å²	52	72.4 Å²	72.4	20%	0.204	44%	0.435	C	S	.	.			trans	-64.7	121	175.8	176.4	-96.1	0	0	0	110.4	R134 D135 G140 N154 E177	R134-Y138 PolarHBondContact NH1-OH 2.72Å; D135-Y138 WeakPolarHBondContact O-CB 3.48Å; D135-Y138 PolarHBondContact O-N 2.66Å; Y138-G140 VanDerWaalsContact CZ-CA 3.49Å; Y138-G140 WeakPolarHBondContact OH-CA 3.22Å; Y138-N154 HydrophobicContact CD1-CB 4.4Å; Y138-N154 WeakPolarHBondContact CD1-OD1 3.46Å; Y138-N154 HydrophobicContact CE1-CB 4.5Å; Y138-N154 PolarHBondContact O-ND2 2.82Å; Y138-N154 PolarHBondContact O-OD1 2.92Å; Y138-E177 PolarHBondContact OH-OE1 3.4Å
139	C	91.8	Very high	77.1	Confident	77 Å²	77	73.7 Å²	73.7	52%	0.52	44%	0.444	S	S	.	.			trans	-116.8	97.7	170.3	172.7	0	0	0	0	107.8	N137 C152	N137-C139 PolarHBondContact O-N 2.93Å; C139-C152 HydrophobicContact CB-CB 3.87Å; C139-C152 WeakPolarHBondContact CB-SG 3.25Å; C139-C152 WeakPolarHBondContact SG-CB 3.45Å; C139-C152 CovalentContact SG-SG 2.03Å; C139-C152 PolarHBondContact SG-SG 3.16Å
140	G	90.7	Very high	79.1	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.01	43%	0.425	C	S	.	.			trans	-73.5	149.1	176.9	0	0	0	0	0	111.9	Y138 C152 C153 N154	Y138-G140 VanDerWaalsContact CZ-CA 3.49Å; Y138-G140 WeakPolarHBondContact OH-CA 3.22Å; G140-C152 CarbonylContact O-C 3.42Å; G140-C152 WeakPolarHBondContact O-CA 3.23Å; G140-C153 CarbonylContact C-O 3.55Å; G140-C153 VanDerWaalsContact CA-O 3.3Å; G140-C153 WeakPolarHBondContact CA-O 3.4Å; G140-C153 PolarHBondContact O-N 3.06Å; G140-N154 PolarHBondContact N-OD1 2.81Å; G140-N154 VanDerWaalsContact N-OD1 3.11Å
141	S	93	Very high	81.2	Confident	56 Å²	56	76.7 Å²	76.7	39%	0.392	44%	0.44	S	S	.	.			trans	-72.2	141.7	174.8	178.7	0	0	0	0	111	Y143 E146 Q178	S141-Y143 WeakPolarHBondContact O-CD2 3.48Å; S141-Y143 WeakPolarHBondContact O-CE2 2.94Å; S141-Y143 PolarHBondContact OG-N 2.8Å; S141-E146 PolarHBondContact OG-OE1 3.42Å; S141-Q178 PolarHBondContact O-NE2 3.45Å
142	C	93.1	Very high	83.5	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	42%	0.415	C	S	.	.			trans	-89.9	12.6	168.4	-58.4	0	0	0	0	111.7	G144 A145 E146 C152 C153 A162 Y163	C142-G144 VanDerWaalsContact C-N 3.29Å; C142-G144 PolarHBondContact O-N 2.87Å; C142-A145 HydrophobicContact CB-CB 4.39Å; C142-A145 WeakPolarHBondContact O-CB 3.07Å; C142-A145 PolarHBondContact O-N 3.36Å; C142-E146 HydrophobicContact CB-CG 3.85Å; C142-E146 PolarHBondContact N-OE1 2.79Å; C142-C152 VanDerWaalsContact SG-C 3.51Å; C142-C153 VanDerWaalsContact CA-SG 3.57Å; C142-C153 HydrophobicContact CB-CB 4.03Å; C142-C153 WeakPolarHBondContact CB-SG 3.36Å; C142-C153 WeakPolarHBondContact SG-CB 3.42Å; C142-C153 PolarHBondContact SG-N 3.41Å; C142-C153 CovalentContact SG-SG 2.04Å; C142-C153 PolarHBondContact SG-SG 2.79Å; C142-A162 HydrophobicContact CB-CB 4.19Å; C142-Y163 VanDerWaalsContact O-CE2 3.31Å; C142-Y163 WeakPolarHBondContact O-CE2 3.09Å
143	Y	92.1	Very high	85.5	Confident	81 Å²	81	69.8 Å²	69.8	32%	0.318	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	39.6	175.7	-59.6	-86.7	0	0	0	114	S141 E146 V159 Y163 F176 E177	S141-Y143 WeakPolarHBondContact O-CD2 3.48Å; S141-Y143 WeakPolarHBondContact O-CE2 2.94Å; S141-Y143 PolarHBondContact OG-N 2.8Å; Y143-E146 PolarHBondContact N-OE1 2.97Å; Y143-V159 HydrophobicContact CD2-CG1 4.49Å; Y143-Y163 WeakPolarHBondContact CB-OH 3.28Å; Y143-Y163 PolarHBondContact O-OH 3.15Å; Y143-F176 HydrophobicContact CD1-CD1 4.23Å; Y143-F176 HydrophobicContact CD2-CB 4.43Å; Y143-F176 AromaticContact CD2-CD1 3.3Å; Y143-F176 HydrophobicContact CD2-CD1 3.3Å; Y143-F176 AromaticContact CD2-CE1 3.83Å; Y143-F176 HydrophobicContact CD2-CE1 3.83Å; Y143-F176 HydrophobicContact CD2-CG 4.16Å; Y143-F176 HydrophobicContact CE1-CD1 4.34Å; Y143-F176 HydrophobicContact CE2-CB 3.79Å; Y143-F176 AromaticContact CE2-CD1 3.44Å; Y143-F176 HydrophobicContact CE2-CD1 3.44Å; Y143-F176 VanDerWaalsContact CE2-CD1 3.44Å; Y143-F176 HydrophobicContact CE2-CE1 4.39Å; Y143-F176 HydrophobicContact CE2-CG 4.01Å; Y143-F176 AromaticContact CG-CD1 3.72Å; Y143-F176 HydrophobicContact CG-CD1 3.72Å; Y143-F176 AromaticContact CG-CE1 3.91Å; Y143-F176 HydrophobicContact CG-CE1 3.91Å; Y143-F176 AromaticContact CZ-CD1 3.97Å; Y143-E177 WeakPolarHBondContact OH-CG 3.08Å; Y143-E177 PolarHBondContact OH-N 3.24Å
144	G	90.9	Very high	87.3	Confident	42 Å²	42	65.6 Å²	65.6	43%	0.433	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-6.7	-179.7	0	0	0	0	0	114.3	C142 E146 W168	C142-G144 VanDerWaalsContact C-N 3.29Å; C142-G144 PolarHBondContact O-N 2.87Å; G144-E146 VanDerWaalsContact C-N 3.34Å; G144-E146 WeakPolarHBondContact CA-OE2 3.45Å; G144-E146 PolarHBondContact N-OE2 3.28Å; G144-E146 VanDerWaalsContact N-OE2 3.07Å; G144-W168 VanDerWaalsContact C-CH2 3.5Å; G144-W168 WeakPolarHBondContact O-CH2 3.47Å
145	A	89.9	Confident	88.4	Confident	0 Å²	0	64 Å²	64	0%	0	37%	0.366	C	S	.	.			trans	-94.4	21.7	177.5	0	0	0	0	0	113.4	C142 S147 A162 Y163 M166 W168	C142-A145 HydrophobicContact CB-CB 4.39Å; C142-A145 WeakPolarHBondContact O-CB 3.07Å; C142-A145 PolarHBondContact O-N 3.36Å; A145-S147 PolarHBondContact O-N 2.7Å; A145-A162 HydrophobicContact CB-CB 3.86Å; A145-Y163 HydrophobicContact CB-CD2 3.82Å; A145-Y163 HydrophobicContact CB-CE2 4.01Å; A145-Y163 HydrophobicContact CB-CG 4.45Å; A145-M166 HydrophobicContact CB-CB 4.46Å; A145-M166 HydrophobicContact CB-CG 3.82Å; A145-W168 HydrophobicContact CB-CE3 4.22Å; A145-W168 HydrophobicContact CB-CZ3 4.17Å
146	E	91.8	Very high	89	Confident	78 Å²	78	58.9 Å²	58.9	36%	0.364	34%	0.339	S	S	.	.			trans	-64.3	132.3	175.8	-64.5	78.6	-172.1	0	0	111.2	S141 C142 Y143 G144 R150	S141-E146 PolarHBondContact OG-OE1 3.42Å; C142-E146 HydrophobicContact CB-CG 3.85Å; C142-E146 PolarHBondContact N-OE1 2.79Å; Y143-E146 PolarHBondContact N-OE1 2.97Å; G144-E146 VanDerWaalsContact C-N 3.34Å; G144-E146 WeakPolarHBondContact CA-OE2 3.45Å; G144-E146 PolarHBondContact N-OE2 3.28Å; G144-E146 VanDerWaalsContact N-OE2 3.07Å; E146-R150 WeakPolarHBondContact CA-O 3.49Å
147	S	87.6	Confident	89.1	Confident	19 Å²	19	56.7 Å²	56.7	13%	0.133	32%	0.318	C	S	.	.			trans	-115.7	163.6	176.7	72.8	0	0	0	0	111.1	A145 S149 R150 E165	A145-S147 PolarHBondContact O-N 2.7Å; S147-S149 PolarHBondContact O-N 2.83Å; S147-S149 VanDerWaalsContact O-N 3.14Å; S147-S149 PolarHBondContact OG-OG 2.79Å; S147-S149 VanDerWaalsContact OG-OG 3.06Å; S147-R150 PolarHBondContact N-O 2.86Å; S147-R150 CarbonylContact O-C 3.22Å; S147-R150 PolarHBondContact O-N 2.85Å; S147-R150 VanDerWaalsContact O-N 3.1Å; S147-R150 WeakPolarHBondContact OG-CB 3.39Å; S147-R150 PolarHBondContact OG-N 3.37Å; S147-E165 PolarHBondContact OG-OE2 2.76Å
148	P	86.5	Confident	89.2	Confident	134 Å²	134	51.5 Å²	51.5	87%	0.87	29%	0.289	S	S	*	.	S	Bend	trans	-56.1	-30.6	176.9	-26.2	35.2	0	0	0	113.3
149	S	84	Confident	89.2	Confident	106 Å²	106	49 Å²	49	74%	0.741	28%	0.279	S	S	*	.	S	Bend	trans	-85.5	-31.9	175.7	50	0	0	0	0	113.5	S147	S147-S149 PolarHBondContact O-N 2.83Å; S147-S149 VanDerWaalsContact O-N 3.14Å; S147-S149 PolarHBondContact OG-OG 2.79Å; S147-S149 VanDerWaalsContact OG-OG 3.06Å
150	R	86.3	Confident	88.7	Confident	44 Å²	44	45.3 Å²	45.3	17%	0.166	25%	0.254	C	S	.	.			trans	-123.1	91.8	-179.3	-171.1	179	-69.5	95.3	-4.2	111.3	E146 S147 C152 E165	E146-R150 WeakPolarHBondContact CA-O 3.49Å; S147-R150 PolarHBondContact N-O 2.86Å; S147-R150 CarbonylContact O-C 3.22Å; S147-R150 PolarHBondContact O-N 2.85Å; S147-R150 VanDerWaalsContact O-N 3.1Å; S147-R150 WeakPolarHBondContact OG-CB 3.39Å; S147-R150 PolarHBondContact OG-N 3.37Å; R150-C152 WeakPolarHBondContact CG-O 3.37Å; R150-E165 IonicContact CZ-OE1 3.87Å; R150-E165 IonicContact NH1-OE1 3.81Å; R150-E165 PolarHBondContact NH1-OE1 3.01Å; R150-E165 IonicContact NH1-OE2 3.04Å; R150-E165 PolarHBondContact NH1-OE2 3.24Å; R150-E165 IonicContact NH2-OE1 2.74Å
151	K	91.6	Very high	88.3	Confident	163 Å²	163	48.2 Å²	48.2	71%	0.709	27%	0.268	S	S	*	.	S	Bend	trans	-83.1	-26.2	178.6	-64.4	-177.5	-179.4	178.5	0	114
152	C	92.5	Very high	88	Confident	40 Å²	40	45.5 Å²	45.5	27%	0.27	25%	0.25	S	C	.	.			trans	-129.6	146.5	-178.9	-50.3	0	0	0	0	108.8	C139 G140 C142 R150	C139-C152 HydrophobicContact CB-CB 3.87Å; C139-C152 WeakPolarHBondContact CB-SG 3.25Å; C139-C152 WeakPolarHBondContact SG-CB 3.45Å; C139-C152 CovalentContact SG-SG 2.03Å; C139-C152 PolarHBondContact SG-SG 3.16Å; G140-C152 CarbonylContact O-C 3.42Å; G140-C152 WeakPolarHBondContact O-CA 3.23Å; C142-C152 VanDerWaalsContact SG-C 3.51Å; R150-C152 WeakPolarHBondContact CG-O 3.37Å
153	C	91.7	Very high	87.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.			trans	-118	104	173.2	-71.5	0	0	0	0	108.8	G140 C142 E158 V159 Q178	G140-C153 CarbonylContact C-O 3.55Å; G140-C153 VanDerWaalsContact CA-O 3.3Å; G140-C153 WeakPolarHBondContact CA-O 3.4Å; G140-C153 PolarHBondContact O-N 3.06Å; C142-C153 VanDerWaalsContact CA-SG 3.57Å; C142-C153 HydrophobicContact CB-CB 4.03Å; C142-C153 WeakPolarHBondContact CB-SG 3.36Å; C142-C153 WeakPolarHBondContact SG-CB 3.42Å; C142-C153 PolarHBondContact SG-N 3.41Å; C142-C153 CovalentContact SG-SG 2.04Å; C142-C153 PolarHBondContact SG-SG 2.79Å; C153-E158 HydrophobicContact CB-CB 4.17Å; C153-V159 HydrophobicContact CB-CB 4.5Å; C153-V159 HydrophobicContact CB-CG2 3.61Å; C153-Q178 PolarHBondContact O-NE2 3.3Å
154	N	90.4	Very high	86.9	Confident	55 Å²	55	43.7 Å²	43.7	29%	0.294	24%	0.244	S	C	.	.			trans	-91.2	-36.4	-174.8	-71.1	-15.6	0	0	0	112.1	R134 Y138 G140 E158	R134-N154 PolarHBondContact NH1-O 2.76Å; R134-N154 PolarHBondContact NH2-O 2.89Å; Y138-N154 HydrophobicContact CD1-CB 4.4Å; Y138-N154 WeakPolarHBondContact CD1-OD1 3.46Å; Y138-N154 HydrophobicContact CE1-CB 4.5Å; Y138-N154 PolarHBondContact O-ND2 2.82Å; Y138-N154 PolarHBondContact O-OD1 2.92Å; G140-N154 PolarHBondContact N-OD1 2.81Å; G140-N154 VanDerWaalsContact N-OD1 3.11Å; N154-E158 PolarHBondContact N-OE2 3.17Å
155	T	87.5	Confident	86.4	Confident	15 Å²	15	45.8 Å²	45.8	9%	0.092	24%	0.242	C	C	.	.	S	Bend	trans	-104.4	160.3	177.1	59	0	0	0	0	112.1	T132 E157 E158 V159 E182	T132-T155 HydrophobicContact CG2-CG2 4.48Å; T155-E157 PolarHBondContact O-N 2.92Å; T155-E158 PolarHBondContact N-OE1 2.81Å; T155-E158 PolarHBondContact O-N 3.26Å; T155-E158 VanDerWaalsContact OG1-CG 3.27Å; T155-E158 WeakPolarHBondContact OG1-CG 3.39Å; T155-E158 PolarHBondContact OG1-N 2.98Å; T155-E158 VanDerWaalsContact OG1-N 3.08Å; T155-E158 PolarHBondContact OG1-OE1 2.8Å; T155-V159 PolarHBondContact O-N 3.46Å; T155-V159 VanDerWaalsContact O-N 3.16Å; T155-E182 VanDerWaalsContact CA-OE1 3.26Å; T155-E182 WeakPolarHBondContact CA-OE1 3.21Å
156	C	86.2	Confident	86.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-35	170.3	-178.4	0	0	0	0	111.3	V159 Q160 C179 E182	C156-V159 PolarHBondContact O-N 2.99Å; C156-Q160 VanDerWaalsContact O-CG 3.32Å; C156-Q160 WeakPolarHBondContact O-CG 3.22Å; C156-Q160 PolarHBondContact O-N 2.8Å; C156-Q160 PolarHBondContact SG-NE2 2.81Å; C156-C179 VanDerWaalsContact CA-SG 3.53Å; C156-C179 HydrophobicContact CB-CB 3.88Å; C156-C179 WeakPolarHBondContact CB-SG 3.46Å; C156-C179 WeakPolarHBondContact SG-CA 3.33Å; C156-C179 WeakPolarHBondContact SG-CB 3.36Å; C156-C179 CovalentContact SG-SG 2.04Å; C156-C179 PolarHBondContact SG-SG 2.77Å; C156-E182 WeakPolarHBondContact CB-OE2 3.33Å; C156-E182 PolarHBondContact N-OE1 2.58Å; C156-E182 PolarHBondContact N-OE2 2.93Å
157	E	81.8	Confident	85.3	Confident	82 Å²	82	52.5 Å²	52.5	38%	0.383	27%	0.269	S	S	.	.	H	α-helix	trans	-61.8	-46	174.5	177.1	165.5	-160.3	0	0	111.7	T155 V159 Q160 M161 H217	T155-E157 PolarHBondContact O-N 2.92Å; E157-V159 VanDerWaalsContact C-N 3.32Å; E157-V159 PolarHBondContact O-N 3.49Å; E157-Q160 WeakPolarHBondContact O-CB 2.9Å; E157-Q160 PolarHBondContact O-N 3.43Å; E157-Q160 VanDerWaalsContact O-N 3.08Å; E157-M161 HydrophobicContact CG-CG 4.49Å; E157-M161 HydrophobicContact CG-SD 4.25Å; E157-M161 WeakPolarHBondContact O-CG 3.23Å; E157-M161 PolarHBondContact O-N 2.86Å; E157-H217 VanDerWaalsContact CD-CE1 3.4Å; E157-H217 IonicContact OE1-CE1 3.14Å; E157-H217 PolarHBondContact OE1-CE1 3.45Å; E157-H217 IonicContact OE1-ND1 2.79Å; E157-H217 PolarHBondContact OE1-ND1 2.78Å
158	E	85.9	Confident	85	Confident	36 Å²	36	56.5 Å²	56.5	17%	0.168	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-38.3	175.8	-77.2	163	-121.1	0	0	113.1	C153 N154 T155 Q160 M161 A162	C153-E158 HydrophobicContact CB-CB 4.17Å; N154-E158 PolarHBondContact N-OE2 3.17Å; T155-E158 PolarHBondContact N-OE1 2.81Å; T155-E158 PolarHBondContact O-N 3.26Å; T155-E158 VanDerWaalsContact OG1-CG 3.27Å; T155-E158 WeakPolarHBondContact OG1-CG 3.39Å; T155-E158 PolarHBondContact OG1-N 2.98Å; T155-E158 VanDerWaalsContact OG1-N 3.08Å; T155-E158 PolarHBondContact OG1-OE1 2.8Å; E158-Q160 VanDerWaalsContact C-N 3.33Å; E158-M161 PolarHBondContact O-N 2.8Å; E158-A162 WeakPolarHBondContact O-CB 3.17Å; E158-A162 PolarHBondContact O-N 3.43Å
159	V	88.1	Confident	84.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-44.1	173.4	177.8	0	0	0	0	110.3	Y143 C153 T155 C156 E157 A162 Y163 F176 Q178	Y143-V159 HydrophobicContact CD2-CG1 4.49Å; C153-V159 HydrophobicContact CB-CB 4.5Å; C153-V159 HydrophobicContact CB-CG2 3.61Å; T155-V159 PolarHBondContact O-N 3.46Å; T155-V159 VanDerWaalsContact O-N 3.16Å; C156-V159 PolarHBondContact O-N 2.99Å; E157-V159 VanDerWaalsContact C-N 3.32Å; E157-V159 PolarHBondContact O-N 3.49Å; V159-A162 PolarHBondContact O-N 3.36Å; V159-Y163 HydrophobicContact CG1-CD2 4.04Å; V159-Y163 HydrophobicContact CG1-CE2 4.1Å; V159-Y163 WeakPolarHBondContact O-CD2 3.29Å; V159-Y163 PolarHBondContact O-N 3.37Å; V159-F176 HydrophobicContact CG1-CB 4.29Å; V159-F176 HydrophobicContact CG1-CD1 4.2Å; V159-F176 HydrophobicContact CG1-CD2 3.72Å; V159-F176 HydrophobicContact CG1-CE1 4.45Å; V159-F176 HydrophobicContact CG1-CE2 4.01Å; V159-F176 HydrophobicContact CG1-CG 3.81Å; V159-F176 HydrophobicContact CG1-CZ 4.36Å; V159-Q178 HydrophobicContact CG2-CB 4.25Å; V159-Q178 HydrophobicContact CG2-CG 4.14Å
160	Q	82	Confident	83.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-42.8	177.3	-67	175.6	42.6	0	0	111.7	C156 E157 E158 Y163 N164 F170 I173 W184 H217 S231	C156-Q160 VanDerWaalsContact O-CG 3.32Å; C156-Q160 WeakPolarHBondContact O-CG 3.22Å; C156-Q160 PolarHBondContact O-N 2.8Å; C156-Q160 PolarHBondContact SG-NE2 2.81Å; E157-Q160 WeakPolarHBondContact O-CB 2.9Å; E157-Q160 PolarHBondContact O-N 3.43Å; E157-Q160 VanDerWaalsContact O-N 3.08Å; E158-Q160 VanDerWaalsContact C-N 3.33Å; Q160-Y163 PolarHBondContact O-N 2.85Å; Q160-N164 VanDerWaalsContact O-CB 3.29Å; Q160-N164 WeakPolarHBondContact O-CB 3.36Å; Q160-N164 PolarHBondContact O-N 2.95Å; Q160-N164 PolarHBondContact O-ND2 2.81Å; Q160-N164 VanDerWaalsContact O-ND2 3.07Å; Q160-F170 HydrophobicContact CG-CZ 4.02Å; Q160-I173 HydrophobicContact CG-CD1 4.12Å; Q160-I173 VanDerWaalsContact NE2-CD1 3.34Å; Q160-W184 VanDerWaalsContact NE2-CZ2 3.3Å; Q160-H217 PolarHBondContact OE1-CD2 3.45Å; Q160-S231 VanDerWaalsContact CD-CB 3.48Å; Q160-S231 PolarHBondContact OE1-OG 3.06Å
161	M	80.9	Confident	82.9	Confident	61 Å²	61	57.1 Å²	57.1	30%	0.3	28%	0.275	S	S	.	.	H	α-helix	trans	-60.8	-46	176	-67.8	176.6	82.8	0	0	111.5	E157 E158 Y163 N164 E165	E157-M161 HydrophobicContact CG-CG 4.49Å; E157-M161 HydrophobicContact CG-SD 4.25Å; E157-M161 WeakPolarHBondContact O-CG 3.23Å; E157-M161 PolarHBondContact O-N 2.86Å; E158-M161 PolarHBondContact O-N 2.8Å; M161-Y163 PolarHBondContact O-N 2.91Å; M161-N164 PolarHBondContact O-N 2.97Å; M161-E165 WeakPolarHBondContact O-CG 3.47Å; M161-E165 PolarHBondContact O-N 3Å
162	A	87.3	Confident	82.4	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-46.5	177.9	0	0	0	0	0	112.3	C142 A145 E158 V159 N164 E165 M166	C142-A162 HydrophobicContact CB-CB 4.19Å; A145-A162 HydrophobicContact CB-CB 3.86Å; E158-A162 WeakPolarHBondContact O-CB 3.17Å; E158-A162 PolarHBondContact O-N 3.43Å; V159-A162 PolarHBondContact O-N 3.36Å; A162-N164 VanDerWaalsContact C-N 3.34Å; A162-N164 PolarHBondContact O-N 3.14Å; A162-E165 PolarHBondContact O-N 2.03Å; A162-M166 WeakPolarHBondContact O-CG 3.43Å; A162-M166 PolarHBondContact O-N 2.92Å; A162-M166 VanDerWaalsContact O-N 3.08Å
163	Y	84.4	Confident	81.8	Confident	25 Å²	25	52.6 Å²	52.6	10%	0.098	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-37.3	176.7	-89	-110.1	0	0	0	112.6	C142 Y143 A145 V159 Q160 M161 M166 R167 W168 F170 F176	C142-Y163 VanDerWaalsContact O-CE2 3.31Å; C142-Y163 WeakPolarHBondContact O-CE2 3.09Å; Y143-Y163 WeakPolarHBondContact CB-OH 3.28Å; Y143-Y163 PolarHBondContact O-OH 3.15Å; A145-Y163 HydrophobicContact CB-CD2 3.82Å; A145-Y163 HydrophobicContact CB-CE2 4.01Å; A145-Y163 HydrophobicContact CB-CG 4.45Å; V159-Y163 HydrophobicContact CG1-CD2 4.04Å; V159-Y163 HydrophobicContact CG1-CE2 4.1Å; V159-Y163 WeakPolarHBondContact O-CD2 3.29Å; V159-Y163 PolarHBondContact O-N 3.37Å; Q160-Y163 PolarHBondContact O-N 2.85Å; M161-Y163 PolarHBondContact O-N 2.91Å; Y163-M166 CarbonylContact O-C 3.59Å; Y163-M166 PolarHBondContact O-N 3.38Å; Y163-R167 PolarHBondContact O-N 3.09Å; Y163-W168 HydrophobicContact CD1-CB 3.61Å; Y163-W168 HydrophobicContact CD1-CE3 4.14Å; Y163-W168 HydrophobicContact CE1-CB 4.16Å; Y163-W168 AromaticContact CE1-CE3 3.79Å; Y163-W168 HydrophobicContact CE1-CE3 3.79Å; Y163-W168 HydrophobicContact CG-CB 4.39Å; Y163-W168 PolarHBondContact O-N 2.99Å; Y163-F170 HydrophobicContact CD1-CB 4.05Å; Y163-F170 AromaticContact CD1-CD1 3.67Å; Y163-F170 HydrophobicContact CD1-CD1 3.67Å; Y163-F170 HydrophobicContact CD1-CG 4.29Å; Y163-F170 HydrophobicContact CE1-CB 4.13Å; Y163-F170 AromaticContact CG-CD1 3.93Å; Y163-F170 HydrophobicContact CG-CD1 3.93Å; Y163-F170 HydrophobicContact CG-CE1 4.45Å; Y163-F176 HydrophobicContact CD1-CZ 4.47Å; Y163-F176 HydrophobicContact CD2-CZ 4.46Å; Y163-F176 HydrophobicContact CE1-CE1 4.45Å; Y163-F176 AromaticContact CE1-CZ 3.85Å; Y163-F176 HydrophobicContact CE1-CZ 3.85Å; Y163-F176 AromaticContact CE2-CE1 3.98Å; Y163-F176 HydrophobicContact CE2-CE1 3.98Å; Y163-F176 AromaticContact CE2-CZ 3.82Å; Y163-F176 HydrophobicContact CE2-CZ 3.82Å; Y163-F176 AromaticContact CZ-CE1 3.69Å; Y163-F176 AromaticContact CZ-CZ 3.49Å; Y163-F176 VanDerWaalsContact CZ-CZ 3.49Å; Y163-F176 WeakPolarHBondContact OH-CE1 3.5Å
164	N	78.2	Confident	81.3	Confident	17 Å²	17	54 Å²	54	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-42	175.6	-75	-32.3	0	0	0	111.5	Q160 M161 A162 M166 R167 S228 Q230	Q160-N164 VanDerWaalsContact O-CB 3.29Å; Q160-N164 WeakPolarHBondContact O-CB 3.36Å; Q160-N164 PolarHBondContact O-N 2.95Å; Q160-N164 PolarHBondContact O-ND2 2.81Å; Q160-N164 VanDerWaalsContact O-ND2 3.07Å; M161-N164 PolarHBondContact O-N 2.97Å; A162-N164 VanDerWaalsContact C-N 3.34Å; A162-N164 PolarHBondContact O-N 3.14Å; N164-M166 VanDerWaalsContact C-N 3.31Å; N164-M166 PolarHBondContact O-N 2.88Å; N164-R167 WeakPolarHBondContact O-CD 3.49Å; N164-R167 PolarHBondContact O-N 2.87Å; N164-R167 VanDerWaalsContact O-N 3.13Å; N164-S228 WeakPolarHBondContact OD1-CB 3.33Å; N164-S228 PolarHBondContact OD1-OG 3.47Å; N164-Q230 PolarHBondContact OD1-OE1 3.17Å
165	E	80.6	Confident	81.1	Confident	86 Å²	86	54.3 Å²	54.3	40%	0.402	28%	0.276	S	S	.	.	H	α-helix	trans	-58.6	-43.3	173.6	-76.9	174.8	-170.3	0	0	111	S147 R150 M161 A162 R167	S147-E165 PolarHBondContact OG-OE2 2.76Å; R150-E165 IonicContact CZ-OE1 3.87Å; R150-E165 IonicContact NH1-OE1 3.81Å; R150-E165 PolarHBondContact NH1-OE1 3.01Å; R150-E165 IonicContact NH1-OE2 3.04Å; R150-E165 PolarHBondContact NH1-OE2 3.24Å; R150-E165 IonicContact NH2-OE1 2.74Å; M161-E165 WeakPolarHBondContact O-CG 3.47Å; M161-E165 PolarHBondContact O-N 3Å; A162-E165 PolarHBondContact O-N 2.03Å; E165-R167 VanDerWaalsContact C-N 3.26Å; E165-R167 PolarHBondContact O-N 3.11Å
166	M	82.3	Confident	81.2	Confident	80 Å²	80	54.2 Å²	54.2	39%	0.394	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-4.7	178.2	-64	-61.2	-77.6	0	0	114.2	A145 A162 Y163 N164 W168	A145-M166 HydrophobicContact CB-CB 4.46Å; A145-M166 HydrophobicContact CB-CG 3.82Å; A162-M166 WeakPolarHBondContact O-CG 3.43Å; A162-M166 PolarHBondContact O-N 2.92Å; A162-M166 VanDerWaalsContact O-N 3.08Å; Y163-M166 CarbonylContact O-C 3.59Å; Y163-M166 PolarHBondContact O-N 3.38Å; N164-M166 VanDerWaalsContact C-N 3.31Å; N164-M166 PolarHBondContact O-N 2.88Å; M166-W168 HydrophobicContact CB-CD2 3.95Å; M166-W168 HydrophobicContact CB-CG 3.87Å; M166-W168 HydrophobicContact CE-CZ2 3.92Å; M166-W168 PolarHBondContact O-N 2.87Å
167	R	74.8	Confident	81.4	Confident	140 Å²	140	56.7 Å²	56.7	53%	0.528	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	29.8	-173.4	-51.1	-58.7	-136.2	173.1	2.6	113.8	Y163 N164 E165 Y219	Y163-R167 PolarHBondContact O-N 3.09Å; N164-R167 WeakPolarHBondContact O-CD 3.49Å; N164-R167 PolarHBondContact O-N 2.87Å; N164-R167 VanDerWaalsContact O-N 3.13Å; E165-R167 VanDerWaalsContact C-N 3.26Å; E165-R167 PolarHBondContact O-N 3.11Å; R167-Y219 VanDerWaalsContact NH1-CE2 3.3Å; R167-Y219 PolarHBondContact NH1-OH 3.31Å
168	W	82.7	Confident	81.7	Confident	102 Å²	102	52.8 Å²	52.8	39%	0.386	27%	0.267	S	S	.	.			trans	-87	130.4	-177.5	-72.4	3.8	0	0	0	111.9	G144 A145 Y163 M166 F170 Q230	G144-W168 VanDerWaalsContact C-CH2 3.5Å; G144-W168 WeakPolarHBondContact O-CH2 3.47Å; A145-W168 HydrophobicContact CB-CE3 4.22Å; A145-W168 HydrophobicContact CB-CZ3 4.17Å; Y163-W168 HydrophobicContact CD1-CB 3.61Å; Y163-W168 HydrophobicContact CD1-CE3 4.14Å; Y163-W168 HydrophobicContact CE1-CB 4.16Å; Y163-W168 AromaticContact CE1-CE3 3.79Å; Y163-W168 HydrophobicContact CE1-CE3 3.79Å; Y163-W168 HydrophobicContact CG-CB 4.39Å; Y163-W168 PolarHBondContact O-N 2.99Å; M166-W168 HydrophobicContact CB-CD2 3.95Å; M166-W168 HydrophobicContact CB-CG 3.87Å; M166-W168 HydrophobicContact CE-CZ2 3.92Å; M166-W168 PolarHBondContact O-N 2.87Å; W168-F170 PolarHBondContact O-N 3.27Å; W168-Q230 PolarHBondContact O-NE2 2.73Å; W168-Q230 PolarHBondContact O-OE1 3.04Å
169	I	71.1	Confident	81.9	Confident	139 Å²	139	51 Å²	51	71%	0.713	26%	0.259	S	S	*	.			trans	-83.8	107.6	174.3	-48.9	167	0	0	0	109
170	F	72.1	Confident	81.9	Confident	16 Å²	16	58.8 Å²	58.8	7%	0.07	29%	0.288	C	S	.	.			trans	-93.7	130.4	165.3	61.4	-87.8	0	0	0	110.1	Q160 Y163 W168 I173 F176 Q230 S231	Q160-F170 HydrophobicContact CG-CZ 4.02Å; Y163-F170 HydrophobicContact CD1-CB 4.05Å; Y163-F170 AromaticContact CD1-CD1 3.67Å; Y163-F170 HydrophobicContact CD1-CD1 3.67Å; Y163-F170 HydrophobicContact CD1-CG 4.29Å; Y163-F170 HydrophobicContact CE1-CB 4.13Å; Y163-F170 AromaticContact CG-CD1 3.93Å; Y163-F170 HydrophobicContact CG-CD1 3.93Å; Y163-F170 HydrophobicContact CG-CE1 4.45Å; W168-F170 PolarHBondContact O-N 3.27Å; F170-I173 HydrophobicContact CD2-CB 4.05Å; F170-I173 HydrophobicContact CD2-CG1 4.42Å; F170-I173 HydrophobicContact CE2-CB 3.78Å; F170-I173 HydrophobicContact CE2-CD1 3.7Å; F170-I173 HydrophobicContact CE2-CG1 3.83Å; F170-I173 HydrophobicContact CZ-CD1 4.24Å; F170-F176 HydrophobicContact CB-CE2 4.04Å; F170-F176 HydrophobicContact CB-CZ 3.95Å; F170-F176 AromaticContact CD2-CE2 3.93Å; F170-F176 HydrophobicContact CD2-CE2 3.93Å; F170-F176 HydrophobicContact CE2-CE2 4.5Å; F170-F176 AromaticContact CG-CE2 3.92Å; F170-F176 HydrophobicContact CG-CE2 3.92Å; F170-F176 HydrophobicContact CG-CZ 4.28Å; F170-Q230 HydrophobicContact CE1-CG 4.5Å; F170-S231 VanDerWaalsContact CZ-CA 3.43Å
171	V	69.1	Low	82.2	Confident	143 Å²	143	64.6 Å²	64.6	87%	0.867	31%	0.313	S	S	*	.	S	Bend	trans	-91.5	-35	178.6	-177.6	0	0	0	0	110.9
172	N	79.8	Confident	82.4	Confident	97 Å²	97	62.6 Å²	62.6	52%	0.519	30%	0.304	S	S	.	.			trans	-117.5	91.4	-176.5	-171.3	-6	0	0	0	111.2	S174 A175	N172-S174 PolarHBondContact O-N 3.08Å; N172-S174 WeakPolarHBondContact OD1-CB 3.41Å; N172-S174 PolarHBondContact OD1-N 3.25Å; N172-S174 VanDerWaalsContact OD1-N 3.08Å; N172-A175 HydrophobicContact CB-CB 4.47Å; N172-A175 VanDerWaalsContact O-CB 3.22Å; N172-A175 WeakPolarHBondContact O-CB 3.37Å; N172-A175 PolarHBondContact O-N 3.07Å; N172-A175 VanDerWaalsContact O-N 3.13Å
173	I	80.3	Confident	82.4	Confident	10 Å²	10	66.3 Å²	66.3	5%	0.051	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-62.2	-25.9	176.3	-166.6	158.9	0	0	0	113.2	Q160 F170 A175 F176 C179 W184	Q160-I173 HydrophobicContact CG-CD1 4.12Å; Q160-I173 VanDerWaalsContact NE2-CD1 3.34Å; F170-I173 HydrophobicContact CD2-CB 4.05Å; F170-I173 HydrophobicContact CD2-CG1 4.42Å; F170-I173 HydrophobicContact CE2-CB 3.78Å; F170-I173 HydrophobicContact CE2-CD1 3.7Å; F170-I173 HydrophobicContact CE2-CG1 3.83Å; F170-I173 HydrophobicContact CZ-CD1 4.24Å; I173-A175 PolarHBondContact O-N 3.27Å; I173-F176 HydrophobicContact CG1-CD2 4.36Å; I173-F176 WeakPolarHBondContact O-CD2 3.36Å; I173-F176 PolarHBondContact O-N 3.14Å; I173-C179 HydrophobicContact CG1-CB 4.01Å; I173-C179 WeakPolarHBondContact O-CB 3.43Å; I173-W184 HydrophobicContact CD1-CD2 4.03Å; I173-W184 VanDerWaalsContact CD1-CE2 3.47Å; I173-W184 HydrophobicContact CD1-CG 4.13Å; I173-W184 HydrophobicContact CD1-CZ2 3.89Å; I173-W184 VanDerWaalsContact CD1-NE1 3.27Å; I173-W184 HydrophobicContact CG1-CG 4.41Å; I173-W184 HydrophobicContact CG2-CG 4.31Å
174	S	81.7	Confident	82.3	Confident	29 Å²	29	65.2 Å²	65.2	20%	0.203	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-72.7	-8.5	177.6	-39.7	0	0	0	0	113.2	N172 F176 N185	N172-S174 PolarHBondContact O-N 3.08Å; N172-S174 WeakPolarHBondContact OD1-CB 3.41Å; N172-S174 PolarHBondContact OD1-N 3.25Å; N172-S174 VanDerWaalsContact OD1-N 3.08Å; S174-F176 PolarHBondContact O-N 3.48Å; S174-N185 VanDerWaalsContact OG-CG 3.28Å; S174-N185 PolarHBondContact OG-ND2 3.37Å; S174-N185 PolarHBondContact OG-OD1 3.46Å
175	A	85.7	Confident	82.5	Confident	63 Å²	63	68.4 Å²	68.4	52%	0.521	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-68.2	-23.3	173.7	0	0	0	0	0	112.3	N172 I173	N172-A175 HydrophobicContact CB-CB 4.47Å; N172-A175 VanDerWaalsContact O-CB 3.22Å; N172-A175 WeakPolarHBondContact O-CB 3.37Å; N172-A175 PolarHBondContact O-N 3.07Å; N172-A175 VanDerWaalsContact O-N 3.13Å; I173-A175 PolarHBondContact O-N 3.27Å
176	F	89.5	Confident	82.7	Confident	12 Å²	12	69.6 Å²	69.6	5%	0.053	34%	0.342	C	S	.	.	S	Bend	trans	-87	131.4	-179.4	-49.8	-52.2	0	0	0	111.1	Y143 V159 Y163 F170 I173 S174 Q178 C179 R180	Y143-F176 HydrophobicContact CD1-CD1 4.23Å; Y143-F176 HydrophobicContact CD2-CB 4.43Å; Y143-F176 AromaticContact CD2-CD1 3.3Å; Y143-F176 HydrophobicContact CD2-CD1 3.3Å; Y143-F176 AromaticContact CD2-CE1 3.83Å; Y143-F176 HydrophobicContact CD2-CE1 3.83Å; Y143-F176 HydrophobicContact CD2-CG 4.16Å; Y143-F176 HydrophobicContact CE1-CD1 4.34Å; Y143-F176 HydrophobicContact CE2-CB 3.79Å; Y143-F176 AromaticContact CE2-CD1 3.44Å; Y143-F176 HydrophobicContact CE2-CD1 3.44Å; Y143-F176 VanDerWaalsContact CE2-CD1 3.44Å; Y143-F176 HydrophobicContact CE2-CE1 4.39Å; Y143-F176 HydrophobicContact CE2-CG 4.01Å; Y143-F176 AromaticContact CG-CD1 3.72Å; Y143-F176 HydrophobicContact CG-CD1 3.72Å; Y143-F176 AromaticContact CG-CE1 3.91Å; Y143-F176 HydrophobicContact CG-CE1 3.91Å; Y143-F176 AromaticContact CZ-CD1 3.97Å; V159-F176 HydrophobicContact CG1-CB 4.29Å; V159-F176 HydrophobicContact CG1-CD1 4.2Å; V159-F176 HydrophobicContact CG1-CD2 3.72Å; V159-F176 HydrophobicContact CG1-CE1 4.45Å; V159-F176 HydrophobicContact CG1-CE2 4.01Å; V159-F176 HydrophobicContact CG1-CG 3.81Å; V159-F176 HydrophobicContact CG1-CZ 4.36Å; Y163-F176 HydrophobicContact CD1-CZ 4.47Å; Y163-F176 HydrophobicContact CD2-CZ 4.46Å; Y163-F176 HydrophobicContact CE1-CE1 4.45Å; Y163-F176 AromaticContact CE1-CZ 3.85Å; Y163-F176 HydrophobicContact CE1-CZ 3.85Å; Y163-F176 AromaticContact CE2-CE1 3.98Å; Y163-F176 HydrophobicContact CE2-CE1 3.98Å; Y163-F176 AromaticContact CE2-CZ 3.82Å; Y163-F176 HydrophobicContact CE2-CZ 3.82Å; Y163-F176 AromaticContact CZ-CE1 3.69Å; Y163-F176 AromaticContact CZ-CZ 3.49Å; Y163-F176 VanDerWaalsContact CZ-CZ 3.49Å; Y163-F176 WeakPolarHBondContact OH-CE1 3.5Å; F170-F176 HydrophobicContact CB-CE2 4.04Å; F170-F176 HydrophobicContact CB-CZ 3.95Å; F170-F176 AromaticContact CD2-CE2 3.93Å; F170-F176 HydrophobicContact CD2-CE2 3.93Å; F170-F176 HydrophobicContact CE2-CE2 4.5Å; F170-F176 AromaticContact CG-CE2 3.92Å; F170-F176 HydrophobicContact CG-CE2 3.92Å; F170-F176 HydrophobicContact CG-CZ 4.28Å; I173-F176 HydrophobicContact CG1-CD2 4.36Å; I173-F176 WeakPolarHBondContact O-CD2 3.36Å; I173-F176 PolarHBondContact O-N 3.14Å; S174-F176 PolarHBondContact O-N 3.48Å; F176-Q178 PolarHBondContact O-N 2.79Å; F176-C179 HydrophobicContact CB-CB 4.26Å; F176-C179 PolarHBondContact O-N 3.48Å; F176-R180 PolarHBondContact O-N 3.33Å
177	E	90.7	Very high	82.8	Confident	52 Å²	52	67.1 Å²	67.1	24%	0.243	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-34.5	-175.2	70.8	159.4	165.8	0	0	112.2	Y138 Y143 R180 K181	Y138-E177 PolarHBondContact OH-OE1 3.4Å; Y143-E177 WeakPolarHBondContact OH-CG 3.08Å; Y143-E177 PolarHBondContact OH-N 3.24Å; E177-R180 PolarHBondContact O-N 3.02Å; E177-K181 WeakPolarHBondContact O-CB 3.36Å; E177-K181 VanDerWaalsContact O-CG 3.32Å; E177-K181 WeakPolarHBondContact O-CG 3.44Å; E177-K181 PolarHBondContact O-N 3.4Å; E177-K181 IonicContact OE2-NZ 3.2Å; E177-K181 PolarHBondContact OE2-NZ 2.88Å
178	Q	89.4	Confident	83.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-46.6	-179.3	-58	87.9	-28.5	0	0	109.5	S141 C153 V159 F176 K181 E182	S141-Q178 PolarHBondContact O-NE2 3.45Å; C153-Q178 PolarHBondContact O-NE2 3.3Å; V159-Q178 HydrophobicContact CG2-CB 4.25Å; V159-Q178 HydrophobicContact CG2-CG 4.14Å; F176-Q178 PolarHBondContact O-N 2.79Å; Q178-K181 PolarHBondContact O-N 3.28Å; Q178-E182 WeakPolarHBondContact O-CB 3.36Å; Q178-E182 VanDerWaalsContact O-CG 3.25Å; Q178-E182 WeakPolarHBondContact O-CG 3.18Å; Q178-E182 PolarHBondContact O-N 3.11Å
179	C	88.3	Confident	83.4	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68.3	-35.9	177.5	-62.9	0	0	0	0	113.3	C156 I173 F176 N183 W184	C156-C179 VanDerWaalsContact CA-SG 3.53Å; C156-C179 HydrophobicContact CB-CB 3.88Å; C156-C179 WeakPolarHBondContact CB-SG 3.46Å; C156-C179 WeakPolarHBondContact SG-CA 3.33Å; C156-C179 WeakPolarHBondContact SG-CB 3.36Å; C156-C179 CovalentContact SG-SG 2.04Å; C156-C179 PolarHBondContact SG-SG 2.77Å; I173-C179 HydrophobicContact CG1-CB 4.01Å; I173-C179 WeakPolarHBondContact O-CB 3.43Å; F176-C179 HydrophobicContact CB-CB 4.26Å; F176-C179 PolarHBondContact O-N 3.48Å; C179-N183 PolarHBondContact O-N 2.9Å; C179-W184 HydrophobicContact CB-CB 4.18Å; C179-W184 VanDerWaalsContact O-CB 3.27Å; C179-W184 WeakPolarHBondContact O-CB 3.04Å; C179-W184 PolarHBondContact O-N 2.74Å
180	R	89.7	Confident	84.2	Confident	162 Å²	162	63.5 Å²	63.5	61%	0.611	32%	0.317	S	S	*	.	H	α-helix	trans	-68.6	-44.7	175.2	-175	173.6	62.6	-160	-3.1	112	F176 E177 E182 N183	F176-R180 PolarHBondContact O-N 3.33Å; E177-R180 PolarHBondContact O-N 3.02Å; R180-E182 VanDerWaalsContact C-N 3.28Å; R180-E182 PolarHBondContact O-N 2.93Å; R180-N183 PolarHBondContact O-N 3.4Å; R180-N183 VanDerWaalsContact O-N 3.1Å; R180-N183 PolarHBondContact O-OD1 3.25Å
181	K	88	Confident	84.9	Confident	122 Å²	122	64.1 Å²	64.1	53%	0.53	32%	0.321	S	S	.	.	H	α-helix	trans	-66.2	-30.3	178.1	-77.1	171.3	173.3	163.6	0	112.6	E177 Q178 N183	E177-K181 WeakPolarHBondContact O-CB 3.36Å; E177-K181 VanDerWaalsContact O-CG 3.32Å; E177-K181 WeakPolarHBondContact O-CG 3.44Å; E177-K181 PolarHBondContact O-N 3.4Å; E177-K181 IonicContact OE2-NZ 3.2Å; E177-K181 PolarHBondContact OE2-NZ 2.88Å; Q178-K181 PolarHBondContact O-N 3.28Å; K181-N183 PolarHBondContact O-N 3.27Å
182	E	85.6	Confident	85.9	Confident	20 Å²	20	58.8 Å²	58.8	9%	0.093	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	10.7	173.9	-68.3	175.3	-149.1	0	0	113.4	R83 L130 R134 T155 C156 Q178 R180 W184 I187	R83-E182 IonicContact CZ-OE2 3.78Å; R83-E182 IonicContact NH1-OE2 3.48Å; R83-E182 IonicContact NH2-OE2 3.24Å; R83-E182 PolarHBondContact NH2-OE2 3.41Å; L130-E182 HydrophobicContact CD2-CG 3.77Å; R134-E182 IonicContact NH2-OE1 2.78Å; T155-E182 VanDerWaalsContact CA-OE1 3.26Å; T155-E182 WeakPolarHBondContact CA-OE1 3.21Å; C156-E182 WeakPolarHBondContact CB-OE2 3.33Å; C156-E182 PolarHBondContact N-OE1 2.58Å; C156-E182 PolarHBondContact N-OE2 2.93Å; Q178-E182 WeakPolarHBondContact O-CB 3.36Å; Q178-E182 VanDerWaalsContact O-CG 3.25Å; Q178-E182 WeakPolarHBondContact O-CG 3.18Å; Q178-E182 PolarHBondContact O-N 3.11Å; R180-E182 VanDerWaalsContact C-N 3.28Å; R180-E182 PolarHBondContact O-N 2.93Å; E182-W184 VanDerWaalsContact C-N 3.3Å; E182-W184 PolarHBondContact O-N 2.63Å; E182-I187 WeakPolarHBondContact O-CD1 3.17Å
183	N	85.7	Confident	86.4	Confident	77 Å²	77	59.9 Å²	59.9	41%	0.412	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	42.6	178.5	-68.1	-2.8	0	0	0	114.2	C179 R180 K181 N185 E186 I187	C179-N183 PolarHBondContact O-N 2.9Å; R180-N183 PolarHBondContact O-N 3.4Å; R180-N183 VanDerWaalsContact O-N 3.1Å; R180-N183 PolarHBondContact O-OD1 3.25Å; K181-N183 PolarHBondContact O-N 3.27Å; N183-N185 PolarHBondContact O-N 3.4Å; N183-E186 HydrophobicContact CB-CB 4.27Å; N183-E186 HydrophobicContact CB-CG 4.23Å; N183-E186 WeakPolarHBondContact CB-OE2 3.4Å; N183-E186 PolarHBondContact ND2-OE2 3.24Å; N183-E186 WeakPolarHBondContact O-CB 3.33Å; N183-E186 PolarHBondContact O-N 2.85Å; N183-I187 PolarHBondContact O-N 3.11Å; N183-I187 VanDerWaalsContact O-N 3.15Å
184	W	82.4	Confident	87	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.011	30%	0.304	C	S	.	.	H	α-helix	trans	-55	-32.9	-176.7	-172.6	-95.6	0	0	0	114.1	F84 Q160 I173 C179 E182 I187 K188	F84-W184 HydrophobicContact CD1-CH2 4.27Å; F84-W184 HydrophobicContact CD1-CZ2 4.44Å; F84-W184 AromaticContact CE1-CH2 3.55Å; F84-W184 HydrophobicContact CE1-CH2 3.55Å; F84-W184 AromaticContact CE1-CZ2 3.49Å; F84-W184 HydrophobicContact CE1-CZ2 3.49Å; F84-W184 VanDerWaalsContact CE1-CZ2 3.49Å; F84-W184 HydrophobicContact CE1-CZ3 4.37Å; F84-W184 HydrophobicContact CZ-CH2 4.37Å; F84-W184 HydrophobicContact CZ-CZ2 4.23Å; Q160-W184 VanDerWaalsContact NE2-CZ2 3.3Å; I173-W184 HydrophobicContact CD1-CD2 4.03Å; I173-W184 VanDerWaalsContact CD1-CE2 3.47Å; I173-W184 HydrophobicContact CD1-CG 4.13Å; I173-W184 HydrophobicContact CD1-CZ2 3.89Å; I173-W184 VanDerWaalsContact CD1-NE1 3.27Å; I173-W184 HydrophobicContact CG1-CG 4.41Å; I173-W184 HydrophobicContact CG2-CG 4.31Å; C179-W184 HydrophobicContact CB-CB 4.18Å; C179-W184 VanDerWaalsContact O-CB 3.27Å; C179-W184 WeakPolarHBondContact O-CB 3.04Å; C179-W184 PolarHBondContact O-N 2.74Å; E182-W184 VanDerWaalsContact C-N 3.3Å; E182-W184 PolarHBondContact O-N 2.63Å; W184-I187 PolarHBondContact O-N 3.03Å; W184-K188 WeakPolarHBondContact O-CB 3.37Å; W184-K188 PolarHBondContact O-N 3.34Å
185	N	83.5	Confident	87.6	Confident	83 Å²	83	59.1 Å²	59.1	44%	0.444	29%	0.294	S	S	.	.	H	α-helix	trans	-65.8	-39.5	178	-70.4	-14.4	0	0	0	112.6	S174 N183 I187 K188 Q189	S174-N185 VanDerWaalsContact OG-CG 3.28Å; S174-N185 PolarHBondContact OG-ND2 3.37Å; S174-N185 PolarHBondContact OG-OD1 3.46Å; N183-N185 PolarHBondContact O-N 3.4Å; N185-I187 VanDerWaalsContact C-N 3.34Å; N185-K188 PolarHBondContact O-N 2.79Å; N185-Q189 WeakPolarHBondContact O-CG 3.38Å; N185-Q189 PolarHBondContact O-N 3.22Å; N185-Q189 VanDerWaalsContact O-N 3.13Å
186	E	85.1	Confident	88	Confident	112 Å²	112	56.1 Å²	56.1	52%	0.523	27%	0.27	S	S	.	.	H	α-helix	trans	-67	-40.7	175.4	-62.2	174.4	179.2	0	0	110	N183 K188 Q189 K190	N183-E186 HydrophobicContact CB-CB 4.27Å; N183-E186 HydrophobicContact CB-CG 4.23Å; N183-E186 WeakPolarHBondContact CB-OE2 3.4Å; N183-E186 PolarHBondContact ND2-OE2 3.24Å; N183-E186 WeakPolarHBondContact O-CB 3.33Å; N183-E186 PolarHBondContact O-N 2.85Å; E186-K188 VanDerWaalsContact C-N 3.3Å; E186-K188 PolarHBondContact O-N 2.87Å; E186-Q189 PolarHBondContact O-N 3.21Å; E186-K190 PolarHBondContact O-N 3.28Å
187	I	83.6	Confident	88.2	Confident	27 Å²	27	59.5 Å²	59.5	14%	0.138	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-40.4	176	-61.7	172.1	0	0	0	110.9	F84 E182 N183 W184 N185 Q189 K190	F84-I187 HydrophobicContact CE2-CG2 3.75Å; F84-I187 HydrophobicContact CZ-CG2 3.69Å; E182-I187 WeakPolarHBondContact O-CD1 3.17Å; N183-I187 PolarHBondContact O-N 3.11Å; N183-I187 VanDerWaalsContact O-N 3.15Å; W184-I187 PolarHBondContact O-N 3.03Å; N185-I187 VanDerWaalsContact C-N 3.34Å; I187-Q189 VanDerWaalsContact C-N 3.33Å; I187-Q189 PolarHBondContact O-N 2.75Å; I187-K190 WeakPolarHBondContact O-CB 3.46Å; I187-K190 PolarHBondContact O-N 3.29Å
188	K	84	Confident	88.4	Confident	68 Å²	68	57 Å²	57	30%	0.296	27%	0.27	S	S	.	.	H	α-helix	trans	-65.9	-34.5	177.3	-168.9	176.6	-175.5	171.9	0	112.6	W184 N185 E186 K190 I191 L232	W184-K188 WeakPolarHBondContact O-CB 3.37Å; W184-K188 PolarHBondContact O-N 3.34Å; N185-K188 PolarHBondContact O-N 2.79Å; E186-K188 VanDerWaalsContact C-N 3.3Å; E186-K188 PolarHBondContact O-N 2.87Å; K188-K190 PolarHBondContact O-N 2.65Å; K188-I191 HydrophobicContact CG-CD1 4.07Å; K188-I191 WeakPolarHBondContact O-CB 3.18Å; K188-I191 WeakPolarHBondContact O-CG1 3.23Å; K188-I191 PolarHBondContact O-N 3.21Å; K188-L232 VanDerWaalsContact CE-O 3.24Å; K188-L232 WeakPolarHBondContact CE-O 3.49Å; K188-L232 PolarHBondContact NZ-O 2.81Å
189	Q	85.9	Confident	88.6	Confident	145 Å²	145	58.8 Å²	58.8	68%	0.678	28%	0.278	S	S	*	.	H	α-helix	trans	-66.9	-18.2	176.8	-73.1	174.7	-0.4	0	0	113.5	N185 E186 I187 I191 N193	N185-Q189 WeakPolarHBondContact O-CG 3.38Å; N185-Q189 PolarHBondContact O-N 3.22Å; N185-Q189 VanDerWaalsContact O-N 3.13Å; E186-Q189 PolarHBondContact O-N 3.21Å; I187-Q189 VanDerWaalsContact C-N 3.33Å; I187-Q189 PolarHBondContact O-N 2.75Å; Q189-I191 VanDerWaalsContact C-N 3.29Å; Q189-N193 PolarHBondContact O-ND2 3.44Å
190	K	88	Confident	88.8	Confident	92 Å²	92	59 Å²	59	40%	0.4	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.1	174.8	-65.8	170.2	158.1	-133.1	0	113.4	P81 E186 I187 K188 G192 N193 E194	P81-K190 HydrophobicContact CG-CB 3.89Å; E186-K190 PolarHBondContact O-N 3.28Å; I187-K190 WeakPolarHBondContact O-CB 3.46Å; I187-K190 PolarHBondContact O-N 3.29Å; K188-K190 PolarHBondContact O-N 2.65Å; K190-G192 PolarHBondContact O-N 3.22Å; K190-N193 PolarHBondContact O-N 2.79Å; K190-E194 HydrophobicContact CB-CB 4.13Å; K190-E194 WeakPolarHBondContact CD-OE2 3.49Å; K190-E194 VanDerWaalsContact CE-OE2 3.31Å; K190-E194 WeakPolarHBondContact CE-OE2 3.47Å; K190-E194 IonicContact NZ-OE1 2.97Å; K190-E194 IonicContact NZ-OE2 2.68Å; K190-E194 PolarHBondContact NZ-OE2 3.32Å; K190-E194 PolarHBondContact O-N 2.72Å
191	I	87.7	Confident	88.8	Confident	29 Å²	29	53.3 Å²	53.3	15%	0.149	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-60.3	125.9	177	-59.6	172	0	0	0	108.9	P81 F84 K188 Q189 N193 L232 V235 F237	P81-I191 HydrophobicContact CG-CG1 4.34Å; F84-I191 HydrophobicContact CD2-CD1 4.14Å; F84-I191 HydrophobicContact CD2-CG1 3.94Å; F84-I191 HydrophobicContact CE2-CD1 3.76Å; F84-I191 HydrophobicContact CE2-CG1 3.65Å; F84-I191 HydrophobicContact CZ-CD1 4.05Å; F84-I191 HydrophobicContact CZ-CG1 4.4Å; K188-I191 HydrophobicContact CG-CD1 4.07Å; K188-I191 WeakPolarHBondContact O-CB 3.18Å; K188-I191 WeakPolarHBondContact O-CG1 3.23Å; K188-I191 PolarHBondContact O-N 3.21Å; Q189-I191 VanDerWaalsContact C-N 3.29Å; I191-N193 VanDerWaalsContact C-N 3.32Å; I191-L232 HydrophobicContact CD1-CD2 4.02Å; I191-V235 HydrophobicContact CD1-CG1 4.1Å; I191-V235 HydrophobicContact CG2-CG1 3.92Å; I191-F237 HydrophobicContact CD1-CE1 4.1Å; I191-F237 HydrophobicContact CD1-CZ 4.46Å; I191-F237 HydrophobicContact CG2-CD1 4.22Å; I191-F237 HydrophobicContact CG2-CE1 4.01Å
192	G	88.5	Confident	88.8	Confident	32 Å²	32	47.8 Å²	47.8	33%	0.33	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-15	-174.7	0	0	0	0	0	115.4	F79 K190	F79-G192 WeakPolarHBondContact CD1-O 3.39Å; F79-G192 PolarHBondContact O-N 3.41Å; K190-G192 PolarHBondContact O-N 3.22Å
193	N	91.3	Very high	88.9	Confident	120 Å²	120	48.7 Å²	48.7	64%	0.642	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-12	-179	-61.8	-48.1	0	0	0	113.3	V111 Q189 K190 I191	V111-N193 WeakPolarHBondContact CG2-O 3.23Å; Q189-N193 PolarHBondContact O-ND2 3.44Å; K190-N193 PolarHBondContact O-N 2.79Å; I191-N193 VanDerWaalsContact C-N 3.32Å
194	E	92.5	Very high	88.9	Confident	23 Å²	23	45.6 Å²	45.6	11%	0.107	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141	178.1	-173.2	-178.9	144.8	0	0	109.1	F79 I80 P81 S108 K190	F79-E194 CarbonylContact C-O 3.44Å; I80-E194 CarbonylContact C-O 3.55Å; I80-E194 PolarHBondContact N-O 2.84Å; I80-E194 VanDerWaalsContact N-O 3.15Å; P81-E194 WeakPolarHBondContact CD-O 3.34Å; P81-E194 HydrophobicContact CG-CB 4.33Å; S108-E194 WeakPolarHBondContact CB-OE1 3.15Å; S108-E194 PolarHBondContact OG-OE1 2.81Å; K190-E194 HydrophobicContact CB-CB 4.13Å; K190-E194 WeakPolarHBondContact CD-OE2 3.49Å; K190-E194 VanDerWaalsContact CE-OE2 3.31Å; K190-E194 WeakPolarHBondContact CE-OE2 3.47Å; K190-E194 IonicContact NZ-OE1 2.97Å; K190-E194 IonicContact NZ-OE2 2.68Å; K190-E194 PolarHBondContact NZ-OE2 3.32Å; K190-E194 PolarHBondContact O-N 2.72Å
195	G	93.4	Very high	89	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-178.8	176.7	0	0	0	0	0	112.9	L77 N78 I80 V109	L77-G195 CarbonylContact O-C 3.56Å; L77-G195 WeakPolarHBondContact O-CA 3.43Å; N78-G195 WeakPolarHBondContact O-CA 2.94Å; N78-G195 PolarHBondContact O-N 2.89Å; I80-G195 CarbonylContact O-C 3.55Å; I80-G195 VanDerWaalsContact O-C 3.28Å; I80-G195 WeakPolarHBondContact O-CA 3.48Å; V109-G195 PolarHBondContact N-O 2.9Å; V109-G195 PolarHBondContact O-N 3.2Å
196	C	94.4	Very high	89	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.6	175.4	-170.1	0	0	0	0	111.6	T76 L77 I80 C82 L85	T76-C196 CarbonylContact C-O 3.2Å; T76-C196 WeakPolarHBondContact CA-O 3.33Å; L77-C196 PolarHBondContact N-O 3.02Å; L77-C196 PolarHBondContact O-N 3.3Å; I80-C196 WeakPolarHBondContact O-CB 3.28Å; I80-C196 PolarHBondContact O-N 3.06Å; I80-C196 VanDerWaalsContact O-N 3.14Å; C82-C196 WeakPolarHBondContact CA-SG 3.49Å; C82-C196 HydrophobicContact CB-CB 3.88Å; C82-C196 WeakPolarHBondContact CB-SG 3.39Å; C82-C196 WeakPolarHBondContact SG-CA 2.97Å; C82-C196 WeakPolarHBondContact SG-CB 3.47Å; C82-C196 CovalentContact SG-SG 2.03Å; C82-C196 PolarHBondContact SG-SG 3.08Å; L85-C196 HydrophobicContact CD1-CB 3.39Å
197	R	95.3	Very high	88.9	Confident	83 Å²	83	43.2 Å²	43.2	31%	0.313	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	115.2	166.2	179.3	178.2	-179.6	-152.4	2.5	109.8	D74 T76 K106 T107 V109	D74-R197 WeakPolarHBondContact OD1-CG 3.3Å; D74-R197 IonicContact OD1-CZ 3.83Å; D74-R197 IonicContact OD1-NE 3.47Å; D74-R197 PolarHBondContact OD1-NE 3.28Å; D74-R197 IonicContact OD1-NH2 3.68Å; D74-R197 IonicContact OD2-CZ 3.86Å; D74-R197 IonicContact OD2-NE 2.66Å; D74-R197 PolarHBondContact OD2-NE 3.14Å; D74-R197 IonicContact OD2-NH2 2.97Å; D74-R197 PolarHBondContact OD2-NH2 2.93Å; T76-R197 HydrophobicContact CG2-CB 4.4Å; T76-R197 WeakPolarHBondContact OG1-CG 3.25Å; K106-R197 CarbonylContact C-O 3.56Å; K106-R197 WeakPolarHBondContact CA-O 2.96Å; T107-R197 PolarHBondContact N-O 2.59Å; T107-R197 PolarHBondContact O-N 3.2Å; V109-R197 HydrophobicContact CG1-CB 3.77Å
198	I	93.1	Very high	88.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.6	174.1	-54.9	-179.8	0	0	0	107	D74 I75 L77 L85 L87 V104 Y105 K106 I213	D74-I198 WeakPolarHBondContact CA-O 3.43Å; I75-I198 PolarHBondContact N-O 3.34Å; I75-I198 PolarHBondContact O-N 2.94Å; L77-I198 HydrophobicContact CD1-CD1 4.48Å; L85-I198 HydrophobicContact CB-CD1 4.48Å; L87-I198 HydrophobicContact CD2-CG2 4.29Å; V104-I198 HydrophobicContact CG1-CG2 3.59Å; Y105-I198 WeakPolarHBondContact O-CA 3.45Å; K106-I198 HydrophobicContact CG-CG1 4.34Å; I198-I213 HydrophobicContact CD1-CD1 4.08Å; I198-I213 HydrophobicContact CD1-CG1 4.16Å; I198-I213 HydrophobicContact CD1-CG2 3.79Å
199	H	93.9	Very high	89.1	Confident	36 Å²	36	39.9 Å²	39.9	17%	0.167	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.7	179.3	67.6	-78.2	0	0	0	112.9	M73 D74 V104 Y105 T107	M73-H199 CarbonylContact O-C 3.59Å; M73-H199 WeakPolarHBondContact O-CA 3.26Å; D74-H199 HydrophobicContact CB-CB 4.16Å; V104-H199 CarbonylContact C-O 3.41Å; V104-H199 WeakPolarHBondContact CA-O 3.41Å; Y105-H199 PolarHBondContact N-O 2.64Å; Y105-H199 PolarHBondContact O-N 3.48Å; T107-H199 PolarHBondContact OG1-CE1 2.97Å
200	G	92.4	Very high	89.1	Confident	6 Å²	6	33.6 Å²	33.6	6%	0.062	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.1	-168.2	175.2	0	0	0	0	0	114.6	Y72 M73 E103	Y72-G200 WeakPolarHBondContact CA-O 3.27Å; M73-G200 PolarHBondContact N-O 3.02Å; M73-G200 PolarHBondContact O-N 2.83Å; E103-G200 WeakPolarHBondContact O-CA 3.01Å
201	N	91	Very high	89	Confident	42 Å²	42	29.2 Å²	29.2	23%	0.225	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	128	-176.2	-65	-52.9	0	0	0	112	I71 Y72 E103	I71-N201 CarbonylContact O-C 3.53Å; I71-N201 WeakPolarHBondContact O-CA 3.36Å; Y72-N201 WeakPolarHBondContact CD2-OD1 3.16Å; E103-N201 HydrophobicContact CB-CB 4.19Å; E103-N201 PolarHBondContact O-N 3.17Å; E103-N201 PolarHBondContact OE2-ND2 3.36Å
202	L	88.2	Confident	89	Confident	5 Å²	5	28.7 Å²	28.7	3%	0.026	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	108.9	178.1	-179.9	81.6	0	0	0	108.8	S70 I71 M73 L87 T89 V100 V104 V204 F211	S70-L202 CarbonylContact C-O 3.59Å; I71-L202 HydrophobicContact CB-CB 4.27Å; I71-L202 HydrophobicContact CD1-CD2 4.33Å; I71-L202 PolarHBondContact N-O 3.09Å; I71-L202 PolarHBondContact O-N 2.95Å; M73-L202 HydrophobicContact CE-CD2 3.84Å; L87-L202 HydrophobicContact CD2-CD1 4.24Å; T89-L202 HydrophobicContact CG2-CD1 3.87Å; T89-L202 HydrophobicContact CG2-CD2 3.62Å; T89-L202 HydrophobicContact CG2-CG 4.1Å; V100-L202 HydrophobicContact CB-CD1 3.88Å; V100-L202 HydrophobicContact CG1-CD1 3.64Å; V100-L202 HydrophobicContact CG1-CG 4.15Å; V100-L202 HydrophobicContact CG2-CD1 3.81Å; V104-L202 HydrophobicContact CG2-CB 4.43Å; L202-V204 HydrophobicContact CD2-CG1 4.09Å; L202-V204 HydrophobicContact CG-CG1 4.05Å; L202-F211 HydrophobicContact CD2-CB 4.34Å; L202-F211 HydrophobicContact CD2-CG 4.5Å
203	T	87.2	Confident	88.9	Confident	39 Å²	39	27.2 Å²	27.2	24%	0.239	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	119.2	178.4	-56.8	0	0	0	0	111.3	K68 M69 V100	K68-T203 HydrophobicContact CB-CG2 3.84Å; K68-T203 HydrophobicContact CD-CG2 3.83Å; K68-T203 HydrophobicContact CG-CG2 4.41Å; M69-T203 CarbonylContact O-C 3.55Å; M69-T203 WeakPolarHBondContact O-CA 3.1Å; V100-T203 VanDerWaalsContact CG1-O 3.27Å; V100-T203 WeakPolarHBondContact CG1-O 3.41Å
204	V	85.8	Confident	88.6	Confident	13 Å²	13	21.6 Å²	21.6	8%	0.079	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	167.1	180	-59.6	0	0	0	0	111.7	K68 M69 I71 T89 L202	K68-V204 CarbonylContact C-O 3.59Å; K68-V204 VanDerWaalsContact CA-O 3.23Å; K68-V204 WeakPolarHBondContact CA-O 3.47Å; K68-V204 WeakPolarHBondContact CB-O 3.42Å; M69-V204 HydrophobicContact CB-CG2 4.4Å; M69-V204 PolarHBondContact N-O 3.17Å; M69-V204 PolarHBondContact O-N 3.47Å; I71-V204 HydrophobicContact CD1-CB 4.49Å; I71-V204 HydrophobicContact CD1-CG1 4.04Å; I71-V204 HydrophobicContact CD1-CG2 3.61Å; I71-V204 HydrophobicContact CG1-CG2 4.01Å; T89-V204 HydrophobicContact CG2-CG1 4.26Å; L202-V204 HydrophobicContact CD2-CG1 4.09Å; L202-V204 HydrophobicContact CG-CG1 4.05Å
205	N	84.2	Confident	88	Confident	49 Å²	49	20.5 Å²	20.5	26%	0.262	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	141.9	170.3	-66	-32.3	0	0	0	110.1	D91 Q97 V207	D91-N205 PolarHBondContact OD2-ND2 3.26Å; Q97-N205 PolarHBondContact NE2-ND2 2.84Å; Q97-N205 PolarHBondContact NE2-OD1 2.91Å; N205-V207 HydrophobicContact CB-CG2 3.84Å; N205-V207 PolarHBondContact O-N 3.11Å
206	R	82.9	Confident	87.2	Confident	45 Å²	45	20.8 Å²	20.8	17%	0.17	11%	0.114	C	C	.	.	S	Bend	trans	-76.2	65.9	175.8	-173.3	-173.4	173.1	148.9	0.2	111	D62 E67 M69 P281 F295	D62-R206 VanDerWaalsContact CG-NH2 3.27Å; D62-R206 IonicContact OD1-NH2 3.57Å; D62-R206 IonicContact OD2-CZ 3.78Å; D62-R206 IonicContact OD2-NE 3.96Å; D62-R206 PolarHBondContact OD2-NE 3.1Å; D62-R206 IonicContact OD2-NH2 2.59Å; D62-R206 PolarHBondContact OD2-NH2 2.86Å; E67-R206 HydrophobicContact CB-CB 4.44Å; E67-R206 WeakPolarHBondContact O-CB 3.22Å; E67-R206 PolarHBondContact O-N 2.94Å; E67-R206 IonicContact OE2-CZ 3.22Å; E67-R206 IonicContact OE2-NH1 3.42Å; E67-R206 PolarHBondContact OE2-NH1 2.92Å; M69-R206 HydrophobicContact CE-CB 4.44Å; M69-R206 HydrophobicContact CE-CG 4.05Å; R206-P281 VanDerWaalsContact NH2-CB 3.26Å; R206-F295 HydrophobicContact CG-CE1 3.87Å; R206-F295 HydrophobicContact CG-CZ 3.71Å
207	V	83.5	Confident	86	Confident	53 Å²	53	22.6 Å²	22.6	32%	0.321	12%	0.122	S	C	.	.	S	Bend	trans	-141.1	169.4	177.1	-66	0	0	0	0	109.2	D91 N205	D91-V207 HydrophobicContact CB-CG2 3.73Å; N205-V207 HydrophobicContact CB-CG2 3.84Å; N205-V207 PolarHBondContact O-N 3.11Å
208	G	84.2	Confident	84.5	Confident	10 Å²	10	20.4 Å²	20.4	10%	0.103	12%	0.12	C	C	.	.	S	Bend	trans	-56.6	141.4	169.6	0	0	0	0	0	111.3	T92 M322	T92-G208 WeakPolarHBondContact CG2-O 3.27Å; T92-G208 PolarHBondContact N-O 3.26Å; T92-G208 PolarHBondContact OG1-O 3.2Å; G208-M322 VanDerWaalsContact CA-O 3.29Å; G208-M322 WeakPolarHBondContact CA-O 3.36Å
209	G	87.2	Confident	83.1	Confident	15 Å²	15	23.1 Å²	23.1	16%	0.155	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	-175.1	-177.3	0	0	0	0	0	112.9	M90 M322	M90-G209 CarbonylContact O-C 3.38Å; M90-G209 WeakPolarHBondContact O-CA 3.19Å; G209-M322 PolarHBondContact N-O 2.79Å; G209-M322 PolarHBondContact O-N 3.11Å
210	A	86.3	Confident	81.2	Confident	13 Å²	13	24.2 Å²	24.2	11%	0.107	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.9	173.9	0	0	0	0	0	110.5	T89 M90 V320 Y321	T89-A210 WeakPolarHBondContact CA-O 2.87Å; M90-A210 PolarHBondContact N-O 3.46Å; M90-A210 PolarHBondContact O-N 3.4Å; A210-V320 WeakPolarHBondContact CA-O 3.06Å; A210-V320 WeakPolarHBondContact CB-O 3.48Å; A210-Y321 HydrophobicContact CB-CD1 3.78Å; A210-Y321 HydrophobicContact CB-CE1 3.91Å; A210-Y321 HydrophobicContact CB-CG 4.22Å
211	F	87.1	Confident	79.2	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	146.7	159.3	68.6	-94.9	0	0	0	108.7	I71 M73 I75 L87 D88 T89 L202 L246 V320 M322	I71-F211 HydrophobicContact CD1-CD1 4.36Å; I71-F211 HydrophobicContact CG2-CE1 4.42Å; M73-F211 HydrophobicContact CE-CD1 4.14Å; M73-F211 HydrophobicContact CE-CD2 3.61Å; M73-F211 HydrophobicContact CE-CE1 3.88Å; M73-F211 HydrophobicContact CE-CE2 3.33Å; M73-F211 HydrophobicContact CE-CG 4Å; M73-F211 HydrophobicContact CE-CZ 3.47Å; M73-F211 VanDerWaalsContact CE-CZ 3.47Å; M73-F211 HydrophobicContact SD-CE2 4.48Å; I75-F211 HydrophobicContact CD1-CE2 4.2Å; L87-F211 HydrophobicContact CD1-CD2 4.05Å; D88-F211 CarbonylContact O-C 3.38Å; D88-F211 WeakPolarHBondContact O-CA 3.28Å; D88-F211 WeakPolarHBondContact O-CB 3.19Å; T89-F211 HydrophobicContact CG2-CB 3.97Å; L202-F211 HydrophobicContact CD2-CB 4.34Å; L202-F211 HydrophobicContact CD2-CG 4.5Å; F211-L246 HydrophobicContact CE1-CD1 4.32Å; F211-L246 HydrophobicContact CZ-CD1 3.86Å; F211-L246 HydrophobicContact CZ-CD2 4.35Å; F211-V320 HydrophobicContact CD1-CB 4.03Å; F211-V320 HydrophobicContact CD1-CG1 4.49Å; F211-V320 HydrophobicContact CD2-CB 4.42Å; F211-V320 HydrophobicContact CD2-CG2 4.48Å; F211-V320 HydrophobicContact CE1-CB 3.52Å; F211-V320 HydrophobicContact CE1-CG1 3.73Å; F211-V320 HydrophobicContact CE1-CG2 4.01Å; F211-V320 HydrophobicContact CE2-CB 3.94Å; F211-V320 HydrophobicContact CE2-CG2 3.65Å; F211-V320 HydrophobicContact CG-CB 4.47Å; F211-V320 HydrophobicContact CZ-CB 3.46Å; F211-V320 VanDerWaalsContact CZ-CB 3.46Å; F211-V320 HydrophobicContact CZ-CG1 3.93Å; F211-V320 HydrophobicContact CZ-CG2 3.38Å; F211-V320 PolarHBondContact N-O 2.94Å; F211-V320 VanDerWaalsContact N-O 3.16Å; F211-V320 PolarHBondContact O-N 2.78Å; F211-M322 HydrophobicContact CD1-CE 4.12Å; F211-M322 HydrophobicContact CD1-SD 4.49Å
212	H	85.7	Confident	77.4	Confident	19 Å²	19	32.9 Å²	32.9	9%	0.088	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.7	176.6	64.4	-98.8	0	0	0	112.5	D88 H225 H227 L318 S319	D88-H212 WeakPolarHBondContact CB-NE2 3.18Å; D88-H212 PolarHBondContact N-O 3.47Å; D88-H212 PolarHBondContact O-N 3.13Å; D88-H212 IonicContact OD2-CD2 3.48Å; D88-H212 PolarHBondContact OD2-CD2 3.35Å; D88-H212 IonicContact OD2-CE1 2.79Å; D88-H212 IonicContact OD2-NE2 3.42Å; D88-H212 PolarHBondContact OD2-NE2 2.88Å; H212-H225 AromaticContact CE1-CE1 3.76Å; H212-H225 AromaticContact CE1-ND1 3.64Å; H212-H225 AromaticContact NE2-CE1 3.27Å; H212-H225 PolarHBondContact NE2-CE1 3.38Å; H212-H225 VanDerWaalsContact NE2-CE1 3.27Å; H212-H225 AromaticContact NE2-ND1 3.51Å; H212-H225 AromaticContact NE2-NE2 3.94Å; H212-H227 AromaticContact CD2-NE2 3.25Å; H212-H227 PolarHBondContact CD2-NE2 3Å; H212-H227 VanDerWaalsContact CD2-NE2 3.25Å; H212-H227 AromaticContact NE2-CE1 3.78Å; H212-H227 AromaticContact NE2-NE2 3.08Å; H212-H227 PolarHBondContact NE2-NE2 3.06Å; H212-L318 CarbonylContact C-O 3.46Å; H212-L318 WeakPolarHBondContact CA-O 3.33Å; H212-L318 WeakPolarHBondContact CB-O 3.37Å; H212-S319 WeakPolarHBondContact CB-OG 3.06Å
213	I	88.3	Confident	75.9	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117	174.8	-63.3	160.2	0	0	0	107.9	I75 L77 L85 S86 L87 I198 H317 L318	I75-I213 HydrophobicContact CB-CD1 4.34Å; I75-I213 HydrophobicContact CD1-CD1 3.91Å; I75-I213 HydrophobicContact CG2-CD1 4.17Å; L77-I213 HydrophobicContact CD1-CG2 3.82Å; L77-I213 HydrophobicContact CD2-CG2 4.41Å; L85-I213 HydrophobicContact CD2-CG2 3.91Å; S86-I213 VanDerWaalsContact O-CA 3.29Å; S86-I213 WeakPolarHBondContact O-CA 3.35Å; L87-I213 HydrophobicContact CD1-CD1 4.39Å; L87-I213 HydrophobicContact CD1-CG1 3.67Å; I198-I213 HydrophobicContact CD1-CD1 4.08Å; I198-I213 HydrophobicContact CD1-CG1 4.16Å; I198-I213 HydrophobicContact CD1-CG2 3.79Å; I213-H317 CarbonylContact O-C 3.58Å; I213-H317 WeakPolarHBondContact O-CA 3.3Å; I213-H317 WeakPolarHBondContact O-CB 3.09Å; I213-L318 HydrophobicContact CB-CB 4.31Å; I213-L318 HydrophobicContact CD1-CD2 4.09Å; I213-L318 PolarHBondContact N-O 3.1Å; I213-L318 PolarHBondContact O-N 2.92Å
214	A	83.8	Confident	74.2	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154.7	-176.9	0	0	0	0	0	112.1	L85 S86 H227 H317	L85-A214 WeakPolarHBondContact CA-O 3.45Å; S86-A214 PolarHBondContact N-O 3.15Å; S86-A214 PolarHBondContact O-N 3.32Å; S86-A214 VanDerWaalsContact O-N 3.11Å; S86-A214 PolarHBondContact OG-O 3.02Å; S86-A214 VanDerWaalsContact OG-O 3.09Å; A214-H227 VanDerWaalsContact CB-CD2 3.41Å; A214-H227 WeakPolarHBondContact CB-CD2 3.41Å; A214-H227 WeakPolarHBondContact CB-CE1 3.29Å; A214-H227 WeakPolarHBondContact CB-NE2 3.5Å; A214-H317 HydrophobicContact CB-CB 3.48Å; A214-H317 VanDerWaalsContact CB-CB 3.48Å
215	P	80.8	Confident	72.7	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	145.8	166.2	-3.6	21.1	0	0	0	110.9	I80 F84 F229 F237 I316	I80-P215 HydrophobicContact CD1-CG 3.98Å; F84-P215 CarbonylContact O-C 3.59Å; F84-P215 WeakPolarHBondContact O-CA 3.19Å; P215-F229 HydrophobicContact CB-CD1 4.48Å; P215-F229 HydrophobicContact CB-CE1 3.78Å; P215-F229 HydrophobicContact CG-CE1 3.96Å; P215-F229 WeakPolarHBondContact O-CE1 3.42Å; P215-F229 VanDerWaalsContact O-CZ 3.28Å; P215-F229 WeakPolarHBondContact O-CZ 3.26Å; P215-F237 HydrophobicContact CB-CD1 4.08Å; P215-F237 HydrophobicContact CB-CD2 4.1Å; P215-F237 HydrophobicContact CB-CE1 4.08Å; P215-F237 HydrophobicContact CB-CE2 4.12Å; P215-F237 HydrophobicContact CB-CG 4.12Å; P215-F237 HydrophobicContact CB-CZ 4.14Å; P215-F237 HydrophobicContact CG-CB 4.22Å; P215-F237 HydrophobicContact CG-CD1 4.11Å; P215-F237 HydrophobicContact CG-CD2 4.01Å; P215-F237 HydrophobicContact CG-CG 3.81Å; P215-I316 WeakPolarHBondContact CD-O 3.41Å; P215-I316 HydrophobicContact CG-CG2 4.36Å
216	G	75.7	Confident	71.5	Confident	5 Å²	5	44 Å²	44	5%	0.052	23%	0.233	C	C	.	.	S	Bend	trans	97.6	165.5	-177.9	0	0	0	0	0	113	F84 S86	F84-G216 PolarHBondContact O-N 2.9Å; S86-G216 WeakPolarHBondContact CB-O 3.27Å; S86-G216 PolarHBondContact OG-O 2.98Å
217	H	69	Low	70.5	Confident	39 Å²	39	42.9 Å²	42.9	18%	0.181	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.2	172.5	-66.3	-81.8	0	0	0	109.2	E157 Q160 S228	E157-H217 VanDerWaalsContact CD-CE1 3.4Å; E157-H217 IonicContact OE1-CE1 3.14Å; E157-H217 PolarHBondContact OE1-CE1 3.45Å; E157-H217 IonicContact OE1-ND1 2.79Å; E157-H217 PolarHBondContact OE1-ND1 2.78Å; Q160-H217 PolarHBondContact OE1-CD2 3.45Å; H217-S228 PolarHBondContact O-N 3.25Å; H217-S228 VanDerWaalsContact O-N 3.14Å
218	S	65	Low	69.3	Low	37 Å²	37	40.8 Å²	40.8	26%	0.259	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	135.5	168.8	36.3	0	0	0	0	110.4	D88 H225	D88-S218 VanDerWaalsContact CG-CB 3.49Å; D88-S218 WeakPolarHBondContact OD1-CB 3.42Å; D88-S218 PolarHBondContact OD1-OG 3.5Å; D88-S218 VanDerWaalsContact OD2-CB 3.32Å; D88-S218 WeakPolarHBondContact OD2-CB 3.14Å; S218-H225 VanDerWaalsContact CB-CE1 3.46Å; S218-H225 WeakPolarHBondContact CB-CE1 3.43Å; S218-H225 WeakPolarHBondContact CB-NE2 3.32Å
219	Y	62.1	Low	68.3	Low	57 Å²	57	41.6 Å²	41.6	22%	0.224	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	145	169.8	68.3	-83.7	0	0	0	110.2	R167 E221 F226	R167-Y219 VanDerWaalsContact NH1-CE2 3.3Å; R167-Y219 PolarHBondContact NH1-OH 3.31Å; Y219-E221 HydrophobicContact CD2-CB 4.38Å; Y219-E221 HydrophobicContact CD2-CG 3.82Å; Y219-E221 HydrophobicContact CE2-CB 4.34Å; Y219-E221 HydrophobicContact CE2-CG 3.94Å; Y219-F226 HydrophobicContact CD1-CB 4.14Å; Y219-F226 VanDerWaalsContact CD1-O 3.32Å; Y219-F226 WeakPolarHBondContact CD1-O 3.33Å; Y219-F226 HydrophobicContact CD2-CB 4.3Å; Y219-F226 HydrophobicContact CE1-CB 3.5Å; Y219-F226 HydrophobicContact CE2-CB 3.69Å; Y219-F226 AromaticContact CE2-CD2 3.96Å; Y219-F226 HydrophobicContact CE2-CD2 3.96Å; Y219-F226 HydrophobicContact CE2-CG 4.14Å; Y219-F226 AromaticContact CZ-CG 3.98Å; Y219-F226 PolarHBondContact N-O 3.07Å; Y219-F226 PolarHBondContact O-N 2.8Å; Y219-F226 WeakPolarHBondContact OH-CB 3.44Å
220	T	54.3	Low	66.9	Low	59 Å²	59	43.5 Å²	43.5	36%	0.362	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.1	-177.1	-47.1	0	0	0	0	109.2	Q96	Q96-T220 HydrophobicContact CG-CG2 4.42Å
221	E	50.8	Low	65.7	Low	83 Å²	83	43.2 Å²	43.2	39%	0.388	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126.4	179.7	-89	-67.3	160.8	0	0	110	Y219 H223 A224 F226	Y219-E221 HydrophobicContact CD2-CB 4.38Å; Y219-E221 HydrophobicContact CD2-CG 3.82Å; Y219-E221 HydrophobicContact CE2-CB 4.34Å; Y219-E221 HydrophobicContact CE2-CG 3.94Å; E221-H223 VanDerWaalsContact C-N 3.32Å; E221-H223 PolarHBondContact O-N 2.98Å; E221-A224 PolarHBondContact N-O 3.2Å; E221-A224 CarbonylContact O-C 3.55Å; E221-A224 WeakPolarHBondContact O-CA 3.48Å; E221-A224 WeakPolarHBondContact O-CB 3.46Å; E221-A224 PolarHBondContact O-N 3.5Å; E221-F226 HydrophobicContact CB-CD2 4.24Å; E221-F226 HydrophobicContact CB-CE2 4.23Å
222	N	53.9	Low	64.5	Low	147 Å²	147	43.2 Å²	43.2	79%	0.786	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	43.7	-179.3	-65.9	-47.6	0	0	0	115	A224	N222-A224 PolarHBondContact O-N 3.04Å; N222-A224 VanDerWaalsContact O-N 3.11Å
223	H	55.7	Low	63.4	Low	182 Å²	182	44.2 Å²	44.2	84%	0.843	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	5.9	-174.2	-48	84	0	0	0	114.8	E221	E221-H223 VanDerWaalsContact C-N 3.32Å; E221-H223 PolarHBondContact O-N 2.98Å
224	A	51.5	Low	62.3	Low	38 Å²	38	50.6 Å²	50.6	31%	0.314	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.5	172.4	0	0	0	0	0	110	E221 N222 F226	E221-A224 PolarHBondContact N-O 3.2Å; E221-A224 CarbonylContact O-C 3.55Å; E221-A224 WeakPolarHBondContact O-CA 3.48Å; E221-A224 WeakPolarHBondContact O-CB 3.46Å; E221-A224 PolarHBondContact O-N 3.5Å; N222-A224 PolarHBondContact O-N 3.04Å; N222-A224 VanDerWaalsContact O-N 3.11Å; A224-F226 HydrophobicContact CB-CD2 4.32Å; A224-F226 HydrophobicContact CB-CE2 3.43Å; A224-F226 VanDerWaalsContact CB-CE2 3.43Å; A224-F226 HydrophobicContact CB-CZ 3.66Å; A224-F226 WeakPolarHBondContact O-CD2 3.36Å
225	H	55.4	Low	61.6	Low	40 Å²	40	52.1 Å²	52.1	19%	0.185	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	128.4	179.8	-176.6	-79.3	0	0	0	109.9	D88 Q96 H212 S218 H227	D88-H225 IonicContact OD1-NE2 3.07Å; D88-H225 IonicContact OD2-CE1 3.55Å; D88-H225 PolarHBondContact OD2-CE1 3.45Å; D88-H225 IonicContact OD2-NE2 3.6Å; D88-H225 PolarHBondContact OD2-NE2 3.21Å; Q96-H225 PolarHBondContact OE1-CD2 3.17Å; H212-H225 AromaticContact CE1-CE1 3.76Å; H212-H225 AromaticContact CE1-ND1 3.64Å; H212-H225 AromaticContact NE2-CE1 3.27Å; H212-H225 PolarHBondContact NE2-CE1 3.38Å; H212-H225 VanDerWaalsContact NE2-CE1 3.27Å; H212-H225 AromaticContact NE2-ND1 3.51Å; H212-H225 AromaticContact NE2-NE2 3.94Å; S218-H225 VanDerWaalsContact CB-CE1 3.46Å; S218-H225 WeakPolarHBondContact CB-CE1 3.43Å; S218-H225 WeakPolarHBondContact CB-NE2 3.32Å; H225-H227 AromaticContact CE1-CD2 3.87Å; H225-H227 AromaticContact CE1-CE1 3.46Å; H225-H227 PolarHBondContact CE1-CE1 2.9Å; H225-H227 VanDerWaalsContact CE1-CE1 3.46Å; H225-H227 AromaticContact CE1-NE2 3.27Å; H225-H227 PolarHBondContact CE1-NE2 2.99Å; H225-H227 VanDerWaalsContact CE1-NE2 3.27Å; H225-H227 AromaticContact ND1-NE2 3.75Å
226	F	58.3	Low	61.3	Low	79 Å²	79	58.2 Å²	58.2	35%	0.346	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.4	-178.8	-62.5	-83.4	0	0	0	111.2	Y219 E221 A224	Y219-F226 HydrophobicContact CD1-CB 4.14Å; Y219-F226 VanDerWaalsContact CD1-O 3.32Å; Y219-F226 WeakPolarHBondContact CD1-O 3.33Å; Y219-F226 HydrophobicContact CD2-CB 4.3Å; Y219-F226 HydrophobicContact CE1-CB 3.5Å; Y219-F226 HydrophobicContact CE2-CB 3.69Å; Y219-F226 AromaticContact CE2-CD2 3.96Å; Y219-F226 HydrophobicContact CE2-CD2 3.96Å; Y219-F226 HydrophobicContact CE2-CG 4.14Å; Y219-F226 AromaticContact CZ-CG 3.98Å; Y219-F226 PolarHBondContact N-O 3.07Å; Y219-F226 PolarHBondContact O-N 2.8Å; Y219-F226 WeakPolarHBondContact OH-CB 3.44Å; E221-F226 HydrophobicContact CB-CD2 4.24Å; E221-F226 HydrophobicContact CB-CE2 4.23Å; A224-F226 HydrophobicContact CB-CD2 4.32Å; A224-F226 HydrophobicContact CB-CE2 3.43Å; A224-F226 VanDerWaalsContact CB-CE2 3.43Å; A224-F226 HydrophobicContact CB-CZ 3.66Å; A224-F226 WeakPolarHBondContact O-CD2 3.36Å
227	H	61.3	Low	61.6	Low	21 Å²	21	58 Å²	58	10%	0.097	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.4	168	-71.9	-71.9	0	0	0	108.9	S86 D88 H212 A214 H225 F229	S86-H227 PolarHBondContact OG-CE1 3.13Å; S86-H227 PolarHBondContact OG-ND1 3.15Å; D88-H227 IonicContact OD2-CE1 2.7Å; D88-H227 PolarHBondContact OD2-CE1 3.41Å; D88-H227 IonicContact OD2-NE2 3.6Å; D88-H227 PolarHBondContact OD2-NE2 2.93Å; H212-H227 AromaticContact CD2-NE2 3.25Å; H212-H227 PolarHBondContact CD2-NE2 3Å; H212-H227 VanDerWaalsContact CD2-NE2 3.25Å; H212-H227 AromaticContact NE2-CE1 3.78Å; H212-H227 AromaticContact NE2-NE2 3.08Å; H212-H227 PolarHBondContact NE2-NE2 3.06Å; A214-H227 VanDerWaalsContact CB-CD2 3.41Å; A214-H227 WeakPolarHBondContact CB-CD2 3.41Å; A214-H227 WeakPolarHBondContact CB-CE1 3.29Å; A214-H227 WeakPolarHBondContact CB-NE2 3.5Å; H225-H227 AromaticContact CE1-CD2 3.87Å; H225-H227 AromaticContact CE1-CE1 3.46Å; H225-H227 PolarHBondContact CE1-CE1 2.9Å; H225-H227 VanDerWaalsContact CE1-CE1 3.46Å; H225-H227 AromaticContact CE1-NE2 3.27Å; H225-H227 PolarHBondContact CE1-NE2 2.99Å; H225-H227 VanDerWaalsContact CE1-NE2 3.27Å; H225-H227 AromaticContact ND1-NE2 3.75Å; H227-F229 HydrophobicContact CB-CE2 3.85Å; H227-F229 HydrophobicContact CB-CZ 4.25Å
228	S	58.2	Low	62.4	Low	9 Å²	9	57.7 Å²	57.7	6%	0.063	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	112.6	173.5	-172.6	0	0	0	0	109.9	N164 H217 Q230	N164-S228 WeakPolarHBondContact OD1-CB 3.33Å; N164-S228 PolarHBondContact OD1-OG 3.47Å; H217-S228 PolarHBondContact O-N 3.25Å; H217-S228 VanDerWaalsContact O-N 3.14Å; S228-Q230 VanDerWaalsContact C-N 3.28Å; S228-Q230 WeakPolarHBondContact OG-CB 3.31Å; S228-Q230 PolarHBondContact OG-N 3.32Å
229	F	62.8	Low	63.5	Low	27 Å²	27	56.1 Å²	56.1	12%	0.118	30%	0.301	C	S	.	.			trans	-88.9	2.8	168.6	-61.6	-89.6	0	0	0	112.2	P215 H227 S231 L232 G233 F237 S313 I316	P215-F229 HydrophobicContact CB-CD1 4.48Å; P215-F229 HydrophobicContact CB-CE1 3.78Å; P215-F229 HydrophobicContact CG-CE1 3.96Å; P215-F229 WeakPolarHBondContact O-CE1 3.42Å; P215-F229 VanDerWaalsContact O-CZ 3.28Å; P215-F229 WeakPolarHBondContact O-CZ 3.26Å; H227-F229 HydrophobicContact CB-CE2 3.85Å; H227-F229 HydrophobicContact CB-CZ 4.25Å; F229-S231 PolarHBondContact O-N 2.82Å; F229-L232 HydrophobicContact CD1-CD1 4.25Å; F229-L232 WeakPolarHBondContact O-CA 3.45Å; F229-L232 WeakPolarHBondContact O-CB 3.16Å; F229-L232 PolarHBondContact O-N 2.81Å; F229-G233 PolarHBondContact O-N 2.04Å; F229-F237 HydrophobicContact CD1-CD2 4.21Å; F229-F237 AromaticContact CD1-CE2 3.75Å; F229-F237 HydrophobicContact CD1-CE2 3.75Å; F229-F237 HydrophobicContact CE1-CD2 4.08Å; F229-F237 HydrophobicContact CE1-CE2 4.04Å; F229-S313 WeakPolarHBondContact CD2-O 3.48Å; F229-S313 WeakPolarHBondContact CE2-O 3.42Å; F229-I316 HydrophobicContact CE1-CB 4.5Å; F229-I316 HydrophobicContact CE1-CD1 4.38Å; F229-I316 HydrophobicContact CZ-CB 4.26Å
230	Q	59.5	Low	64.9	Low	55 Å²	55	53.8 Å²	53.8	26%	0.257	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-35.6	-170.2	-169	165.2	45.7	0	0	112.1	N164 W168 F170 S228 L232 G233	N164-Q230 PolarHBondContact OD1-OE1 3.17Å; W168-Q230 PolarHBondContact O-NE2 2.73Å; W168-Q230 PolarHBondContact O-OE1 3.04Å; F170-Q230 HydrophobicContact CE1-CG 4.5Å; S228-Q230 VanDerWaalsContact C-N 3.28Å; S228-Q230 WeakPolarHBondContact OG-CB 3.31Å; S228-Q230 PolarHBondContact OG-N 3.32Å; Q230-L232 PolarHBondContact O-N 3.08Å; Q230-G233 PolarHBondContact O-N 3.37Å
231	S	59.5	Low	66.7	Low	7 Å²	7	51.1 Å²	51.1	5%	0.049	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.7	175.6	63	0	0	0	0	114.7	Q160 F170 F229	Q160-S231 VanDerWaalsContact CD-CB 3.48Å; Q160-S231 PolarHBondContact OE1-OG 3.06Å; F170-S231 VanDerWaalsContact CZ-CA 3.43Å; F229-S231 PolarHBondContact O-N 2.82Å
232	L	62.5	Low	68.8	Low	1 Å²	1	48.4 Å²	48.4	1%	0.005	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-24	-175.2	-66.8	163.4	0	0	0	111.5	F84 K188 I191 F229 Q230 V235 F237	F84-L232 HydrophobicContact CD1-CD1 4.28Å; F84-L232 HydrophobicContact CD1-CD2 3.46Å; F84-L232 VanDerWaalsContact CD1-CD2 3.46Å; F84-L232 HydrophobicContact CD1-CG 4.34Å; F84-L232 HydrophobicContact CE1-CD2 3.27Å; F84-L232 HydrophobicContact CE1-CG 4.43Å; F84-L232 HydrophobicContact CG-CD2 4.25Å; F84-L232 HydrophobicContact CZ-CD2 3.96Å; K188-L232 VanDerWaalsContact CE-O 3.24Å; K188-L232 WeakPolarHBondContact CE-O 3.49Å; K188-L232 PolarHBondContact NZ-O 2.81Å; I191-L232 HydrophobicContact CD1-CD2 4.02Å; F229-L232 HydrophobicContact CD1-CD1 4.25Å; F229-L232 WeakPolarHBondContact O-CA 3.45Å; F229-L232 WeakPolarHBondContact O-CB 3.16Å; F229-L232 PolarHBondContact O-N 2.81Å; Q230-L232 PolarHBondContact O-N 3.08Å; L232-V235 HydrophobicContact CB-CB 4.43Å; L232-V235 HydrophobicContact CB-CG2 4.46Å; L232-V235 WeakPolarHBondContact O-CG2 3.36Å; L232-F237 HydrophobicContact CB-CE2 4.48Å; L232-F237 HydrophobicContact CB-CZ 4.15Å; L232-F237 HydrophobicContact CD1-CE1 4.41Å; L232-F237 HydrophobicContact CD1-CE2 3.91Å; L232-F237 HydrophobicContact CD1-CZ 3.42Å; L232-F237 VanDerWaalsContact CD1-CZ 3.42Å; L232-F237 HydrophobicContact CD2-CZ 4.13Å; L232-F237 HydrophobicContact CG-CZ 4.06Å
233	G	63.3	Low	70.8	Confident	40 Å²	40	41.5 Å²	41.5	41%	0.412	23%	0.23	S	C	.	.			trans	68.6	-154.4	-173.4	0	0	0	0	0	111.5	F229 Q230 V235	F229-G233 PolarHBondContact O-N 2.04Å; Q230-G233 PolarHBondContact O-N 3.37Å; G233-V235 PolarHBondContact O-N 3.37Å
234	P	64	Low	72.6	Confident	135 Å²	135	34.5 Å²	34.5	88%	0.877	21%	0.207	S	C	*	.	S	Bend	trans	-77.2	52.8	-178.4	34.3	-36.5	0	0	0	112
235	V	69.7	Low	74.7	Confident	33 Å²	33	35.6 Å²	35.6	20%	0.2	21%	0.206	C	C	.	.			trans	-84.2	124.6	175.2	174.5	0	0	0	0	108.9	I191 L232 G233 F237	I191-V235 HydrophobicContact CD1-CG1 4.1Å; I191-V235 HydrophobicContact CG2-CG1 3.92Å; L232-V235 HydrophobicContact CB-CB 4.43Å; L232-V235 HydrophobicContact CB-CG2 4.46Å; L232-V235 WeakPolarHBondContact O-CG2 3.36Å; G233-V235 PolarHBondContact O-N 3.37Å; V235-F237 HydrophobicContact CB-CE2 4.02Å; V235-F237 HydrophobicContact CB-CZ 3.89Å; V235-F237 HydrophobicContact CG1-CD1 4.17Å; V235-F237 HydrophobicContact CG1-CD2 4.32Å; V235-F237 HydrophobicContact CG1-CE1 3.68Å; V235-F237 HydrophobicContact CG1-CE2 3.83Å; V235-F237 HydrophobicContact CG1-CG 4.45Å; V235-F237 HydrophobicContact CG1-CZ 3.44Å; V235-F237 VanDerWaalsContact CG1-CZ 3.44Å
236	Q	74.1	Confident	76.4	Confident	128 Å²	128	33.7 Å²	33.7	60%	0.598	20%	0.197	S	C	*	.			trans	-89.4	109.2	174.3	-85.5	-175.5	44.7	0	0	108.9	H269	Q236-H269 HydrophobicContact CB-CB 3.55Å; Q236-H269 HydrophobicContact CG-CB 3.98Å; Q236-H269 PolarHBondContact OE1-ND1 3.45Å
237	F	82.6	Confident	78	Confident	1 Å²	1	31.5 Å²	31.5	0%	0.004	19%	0.187	C	C	.	.			trans	-84.8	135.6	-179.3	-66.2	-78.9	0	0	0	111.4	I80 I191 P215 F229 L232 V235 S270 I316	I80-F237 HydrophobicContact CD1-CB 4Å; I80-F237 HydrophobicContact CD1-CD1 4.04Å; I80-F237 HydrophobicContact CD1-CG 4.36Å; I80-F237 HydrophobicContact CG1-CD1 4.19Å; I80-F237 HydrophobicContact CG2-CD1 4.26Å; I80-F237 HydrophobicContact CG2-CE1 4.49Å; I191-F237 HydrophobicContact CD1-CE1 4.1Å; I191-F237 HydrophobicContact CD1-CZ 4.46Å; I191-F237 HydrophobicContact CG2-CD1 4.22Å; I191-F237 HydrophobicContact CG2-CE1 4.01Å; P215-F237 HydrophobicContact CB-CD1 4.08Å; P215-F237 HydrophobicContact CB-CD2 4.1Å; P215-F237 HydrophobicContact CB-CE1 4.08Å; P215-F237 HydrophobicContact CB-CE2 4.12Å; P215-F237 HydrophobicContact CB-CG 4.12Å; P215-F237 HydrophobicContact CB-CZ 4.14Å; P215-F237 HydrophobicContact CG-CB 4.22Å; P215-F237 HydrophobicContact CG-CD1 4.11Å; P215-F237 HydrophobicContact CG-CD2 4.01Å; P215-F237 HydrophobicContact CG-CG 3.81Å; F229-F237 HydrophobicContact CD1-CD2 4.21Å; F229-F237 AromaticContact CD1-CE2 3.75Å; F229-F237 HydrophobicContact CD1-CE2 3.75Å; F229-F237 HydrophobicContact CE1-CD2 4.08Å; F229-F237 HydrophobicContact CE1-CE2 4.04Å; L232-F237 HydrophobicContact CB-CE2 4.48Å; L232-F237 HydrophobicContact CB-CZ 4.15Å; L232-F237 HydrophobicContact CD1-CE1 4.41Å; L232-F237 HydrophobicContact CD1-CE2 3.91Å; L232-F237 HydrophobicContact CD1-CZ 3.42Å; L232-F237 VanDerWaalsContact CD1-CZ 3.42Å; L232-F237 HydrophobicContact CD2-CZ 4.13Å; L232-F237 HydrophobicContact CG-CZ 4.06Å; V235-F237 HydrophobicContact CB-CE2 4.02Å; V235-F237 HydrophobicContact CB-CZ 3.89Å; V235-F237 HydrophobicContact CG1-CD1 4.17Å; V235-F237 HydrophobicContact CG1-CD2 4.32Å; V235-F237 HydrophobicContact CG1-CE1 3.68Å; V235-F237 HydrophobicContact CG1-CE2 3.83Å; V235-F237 HydrophobicContact CG1-CG 4.45Å; V235-F237 HydrophobicContact CG1-CZ 3.44Å; V235-F237 VanDerWaalsContact CG1-CZ 3.44Å; F237-S270 PolarHBondContact O-N 2.85Å; F237-I316 HydrophobicContact CB-CG2 4.01Å; F237-I316 HydrophobicContact CD2-CD1 4.14Å
238	N	86.8	Confident	79.4	Confident	33 Å²	33	30.5 Å²	30.5	18%	0.176	18%	0.182	C	C	.	.			trans	-94.2	107.6	165.9	-176.1	-13.9	0	0	0	108.7	F79 S240	F79-N238 HydrophobicContact CB-CB 3.93Å; F79-N238 HydrophobicContact CD2-CB 3.96Å; F79-N238 VanDerWaalsContact CD2-CG 3.44Å; F79-N238 WeakPolarHBondContact CD2-ND2 3.1Å; F79-N238 WeakPolarHBondContact CE2-ND2 3.41Å; F79-N238 HydrophobicContact CG-CB 4.06Å; N238-S240 VanDerWaalsContact C-N 3.26Å; N238-S240 PolarHBondContact O-N 3.38Å; N238-S240 VanDerWaalsContact OD1-CB 3.25Å; N238-S240 WeakPolarHBondContact OD1-CB 3.43Å; N238-S240 PolarHBondContact OD1-N 3.35Å; N238-S240 PolarHBondContact OD1-OG 3.04Å
239	V	88	Confident	80.9	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.024	18%	0.183	C	C	.	.			trans	-91.6	25.2	179.6	-63	0	0	0	0	113.2	I80 H241 V266 Q271 V273 I316	I80-V239 HydrophobicContact CD1-CG1 3.89Å; V239-H241 PolarHBondContact O-N 2.9Å; V239-H241 PolarHBondContact O-ND1 2.91Å; V239-V266 HydrophobicContact CG2-CG2 3.98Å; V239-Q271 WeakPolarHBondContact CG2-O 3.35Å; V239-V273 HydrophobicContact CG2-CG2 4.26Å; V239-I316 HydrophobicContact CB-CG2 4.5Å; V239-I316 HydrophobicContact CG1-CG2 3.24Å
240	S	90.7	Very high	82.1	Confident	8 Å²	8	35 Å²	35	6%	0.056	20%	0.204	C	C	.	.			trans	-56.2	132.9	168.5	-61.4	0	0	0	0	109.6	N78 N238 L264 A265 V266	N78-S240 PolarHBondContact N-O 3.44Å; N238-S240 VanDerWaalsContact C-N 3.26Å; N238-S240 PolarHBondContact O-N 3.38Å; N238-S240 VanDerWaalsContact OD1-CB 3.25Å; N238-S240 WeakPolarHBondContact OD1-CB 3.43Å; N238-S240 PolarHBondContact OD1-N 3.35Å; N238-S240 PolarHBondContact OD1-OG 3.04Å; S240-L264 CarbonylContact C-O 3.29Å; S240-L264 WeakPolarHBondContact CA-O 3.44Å; S240-L264 WeakPolarHBondContact CB-O 3.29Å; S240-A265 WeakPolarHBondContact OG-CA 3.33Å; S240-V266 PolarHBondContact OG-N 3.49Å
241	H	93	Very high	83.6	Confident	3 Å²	3	35.4 Å²	35.4	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	161.4	-173.9	61	-88	0	0	0	112.1	T76 L77 V239 L264 Y275	T76-H241 CarbonylContact O-C 3.38Å; T76-H241 WeakPolarHBondContact O-CA 3.44Å; T76-H241 VanDerWaalsContact O-CB 3.23Å; T76-H241 WeakPolarHBondContact O-CB 3.27Å; L77-H241 HydrophobicContact CG-CB 4.16Å; V239-H241 PolarHBondContact O-N 2.9Å; V239-H241 PolarHBondContact O-ND1 2.91Å; H241-L264 PolarHBondContact N-O 3.28Å; H241-L264 PolarHBondContact O-N 3.29Å; H241-Y275 AromaticContact NE2-CE2 3.39Å; H241-Y275 WeakPolarHBondContact NE2-CE2 3.4Å; H241-Y275 AromaticContact NE2-CZ 3.55Å; H241-Y275 PolarHBondContact NE2-OH 3.34Å
242	S	94.6	Very high	85	Confident	25 Å²	25	37.2 Å²	37.2	18%	0.175	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.9	168.2	59.6	0	0	0	0	110.5	I75 T76 T262	I75-S242 WeakPolarHBondContact CA-O 3.12Å; T76-S242 PolarHBondContact N-O 2.89Å; T76-S242 PolarHBondContact O-N 3.39Å; S242-T262 CarbonylContact C-O 3.57Å; S242-T262 VanDerWaalsContact CA-O 3.29Å; S242-T262 WeakPolarHBondContact CA-O 3.44Å
243	I	94.8	Very high	86.2	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.2	170.3	-55.3	175.5	0	0	0	106	I75 L246 L259 G261 T262 Y275	I75-I243 HydrophobicContact CG1-CG1 4.44Å; I75-I243 HydrophobicContact CG1-CG2 4.5Å; I243-L246 HydrophobicContact CG2-CB 3.91Å; I243-L259 HydrophobicContact CD1-CB 4.15Å; I243-L259 HydrophobicContact CD1-CD1 4.17Å; I243-L259 HydrophobicContact CG2-CB 4.33Å; I243-L259 WeakPolarHBondContact CG2-O 3.37Å; I243-G261 CarbonylContact O-C 3.54Å; I243-G261 VanDerWaalsContact O-C 3.29Å; I243-G261 WeakPolarHBondContact O-CA 3.44Å; I243-G261 PolarHBondContact O-N 3.4Å; I243-T262 PolarHBondContact N-O 3Å; I243-T262 PolarHBondContact O-N 2.9Å; I243-T262 VanDerWaalsContact O-N 3.13Å; I243-Y275 HydrophobicContact CD1-CE1 4.38Å; I243-Y275 HydrophobicContact CD1-CE2 4.27Å
244	G	94.5	Very high	87.2	Confident	36 Å²	36	43 Å²	43	37%	0.371	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-62.2	173	0	0	0	0	0	109.9	D74 G261	D74-G244 PolarHBondContact O-N 3.26Å; G244-G261 PolarHBondContact O-N 3.35Å
245	E	94	Very high	88.4	Confident	61 Å²	61	37.8 Å²	37.8	29%	0.285	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.6	175.8	-174.8	-178.8	156.3	0	0	109.3	Y72 M73 D74 R247 D260	Y72-E245 HydrophobicContact CD1-CB 4.23Å; Y72-E245 HydrophobicContact CD1-CG 3.91Å; Y72-E245 HydrophobicContact CE1-CB 3.95Å; Y72-E245 HydrophobicContact CE1-CG 4.02Å; Y72-E245 WeakPolarHBondContact CE1-OE2 3.39Å; M73-E245 CarbonylContact C-O 3.58Å; D74-E245 PolarHBondContact N-O 3.32Å; E245-R247 HydrophobicContact CG-CB 4.47Å; E245-R247 IonicContact OE1-CZ 2.73Å; E245-R247 IonicContact OE1-NE 3.66Å; E245-R247 PolarHBondContact OE1-NE 2.94Å; E245-R247 IonicContact OE1-NH2 3.61Å; E245-D260 VanDerWaalsContact CA-OD1 3.29Å; E245-D260 WeakPolarHBondContact CA-OD1 3.39Å
246	L	93.2	Very high	89.3	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	115.5	167.1	-178.1	67.6	0	0	0	109.2	I71 Y72 M73 F211 I243 F248 N257 L259 D260 L277 V320	I71-L246 HydrophobicContact CG2-CD1 3.92Å; Y72-L246 WeakPolarHBondContact O-CA 3.16Å; M73-L246 HydrophobicContact CB-CD1 3.88Å; F211-L246 HydrophobicContact CE1-CD1 4.32Å; F211-L246 HydrophobicContact CZ-CD1 3.86Å; F211-L246 HydrophobicContact CZ-CD2 4.35Å; I243-L246 HydrophobicContact CG2-CB 3.91Å; L246-F248 HydrophobicContact CD1-CZ 4.27Å; L246-F248 HydrophobicContact CD2-CE2 4.17Å; L246-F248 HydrophobicContact CD2-CZ 3.92Å; L246-F248 HydrophobicContact CG-CE2 3.97Å; L246-F248 HydrophobicContact CG-CZ 3.91Å; L246-N257 WeakPolarHBondContact O-CB 3.48Å; L246-L259 HydrophobicContact CD2-CD1 3.9Å; L246-D260 PolarHBondContact N-OD1 3.45Å; L246-L277 HydrophobicContact CD2-CD1 3.84Å; L246-V320 HydrophobicContact CD2-CG1 4.35Å
247	R	90.9	Very high	90	Very high	33 Å²	33	36.3 Å²	36.3	13%	0.125	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144.1	-172.3	173.1	173.3	54.2	84.7	1.4	111.8	I71 Y72 E245 G249	I71-R247 CarbonylContact C-O 3.59Å; I71-R247 WeakPolarHBondContact CA-O 3.32Å; Y72-R247 PolarHBondContact N-O 3Å; Y72-R247 PolarHBondContact O-N 3.13Å; E245-R247 HydrophobicContact CG-CB 4.47Å; E245-R247 IonicContact OE1-CZ 2.73Å; E245-R247 IonicContact OE1-NE 3.66Å; E245-R247 PolarHBondContact OE1-NE 2.94Å; E245-R247 IonicContact OE1-NH2 3.61Å; R247-G249 PolarHBondContact NH1-O 3.36Å
248	F	90.8	Very high	90.4	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	112	-177.6	-58.5	-86.6	0	0	0	110.3	M69 I71 L246 L277 L279 T294 F295 D297 M322	M69-F248 HydrophobicContact SD-CB 3.87Å; M69-F248 HydrophobicContact SD-CD1 4.25Å; I71-F248 HydrophobicContact CB-CD1 4.48Å; I71-F248 HydrophobicContact CD1-CD1 4.14Å; I71-F248 HydrophobicContact CD1-CE1 3.99Å; I71-F248 HydrophobicContact CG1-CD1 3.81Å; I71-F248 HydrophobicContact CG1-CE1 4.06Å; I71-F248 HydrophobicContact CG2-CD1 4.11Å; I71-F248 HydrophobicContact CG2-CE1 3.86Å; L246-F248 HydrophobicContact CD1-CZ 4.27Å; L246-F248 HydrophobicContact CD2-CE2 4.17Å; L246-F248 HydrophobicContact CD2-CZ 3.92Å; L246-F248 HydrophobicContact CG-CE2 3.97Å; L246-F248 HydrophobicContact CG-CZ 3.91Å; F248-L277 HydrophobicContact CE2-CD1 3.64Å; F248-L277 HydrophobicContact CZ-CD1 3.48Å; F248-L277 VanDerWaalsContact CZ-CD1 3.48Å; F248-L279 HydrophobicContact CB-CD1 4.41Å; F248-L279 HydrophobicContact CB-CD2 4.27Å; F248-L279 HydrophobicContact CD1-CD1 3.6Å; F248-L279 HydrophobicContact CD1-CD2 3.97Å; F248-L279 HydrophobicContact CD1-CG 4.46Å; F248-L279 HydrophobicContact CD2-CD2 3.56Å; F248-L279 HydrophobicContact CE1-CD1 4.07Å; F248-L279 HydrophobicContact CE1-CD2 4.26Å; F248-L279 HydrophobicContact CE2-CD2 3.84Å; F248-L279 HydrophobicContact CG-CD1 3.97Å; F248-L279 HydrophobicContact CG-CD2 3.64Å; F248-L279 HydrophobicContact CG-CG 4.48Å; F248-L279 HydrophobicContact CZ-CD2 4.19Å; F248-T294 PolarHBondContact O-OG1 2.62Å; F248-F295 HydrophobicContact CB-CB 3.71Å; F248-F295 HydrophobicContact CB-CG 4.47Å; F248-F295 PolarHBondContact O-N 3.47Å; F248-D297 HydrophobicContact CD2-CB 3.84Å; F248-D297 HydrophobicContact CE2-CB 3.93Å; F248-M322 HydrophobicContact CD1-SD 3.99Å; F248-M322 HydrophobicContact CE1-CG 3.96Å; F248-M322 HydrophobicContact CE1-SD 3.39Å; F248-M322 WeakPolarHBondContact CE1-SD 3.2Å; F248-M322 HydrophobicContact CZ-CG 4.42Å; F248-M322 HydrophobicContact CZ-SD 4.33Å
249	G	89.2	Confident	90.5	Very high	8 Å²	8	37.6 Å²	37.6	8%	0.082	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78	-165.6	-172.9	0	0	0	0	0	112.9	S70 R247	S70-G249 WeakPolarHBondContact O-CA 3.36Å; S70-G249 PolarHBondContact O-N 3.33Å; R247-G249 PolarHBondContact NH1-O 3.36Å
250	E	89	Confident	90.7	Very high	122 Å²	122	40.2 Å²	40.2	57%	0.57	25%	0.25	S	S	*	.	S	Bend	trans	-68.2	148.2	-179.6	-71.4	-61.1	138.8	0	0	112.5	I292 T294	E250-I292 HydrophobicContact CB-CG2 3.5Å; E250-I292 VanDerWaalsContact CB-CG2 3.5Å; E250-I292 HydrophobicContact CG-CG2 4.48Å; E250-T294 WeakPolarHBondContact O-CB 3.22Å; E250-T294 PolarHBondContact O-OG1 3.29Å
251	S	90.3	Very high	90.8	Very high	64 Å²	64	42.4 Å²	42.4	45%	0.448	27%	0.274	S	S	.	.			trans	-77.2	144.6	175.9	-174.2	0	0	0	0	111.3
252	Y	88.2	Confident	90.8	Very high	44 Å²	44	44.3 Å²	44.3	17%	0.173	29%	0.286	C	S	.	.			trans	-124.4	155.8	170.3	72.1	-85.5	0	0	0	111.8	G254 Q255 Y284 T294 L296	Y252-G254 PolarHBondContact O-N 3.08Å; Y252-Q255 HydrophobicContact CD1-CB 3.78Å; Y252-Q255 HydrophobicContact CD1-CG 4.04Å; Y252-Q255 HydrophobicContact CD2-CB 4.33Å; Y252-Q255 HydrophobicContact CE1-CB 3.5Å; Y252-Q255 VanDerWaalsContact CE1-CB 3.5Å; Y252-Q255 VanDerWaalsContact CE1-CD 3.49Å; Y252-Q255 HydrophobicContact CE1-CG 3.5Å; Y252-Q255 VanDerWaalsContact CE1-CG 3.5Å; Y252-Q255 HydrophobicContact CE2-CB 4.04Å; Y252-Q255 HydrophobicContact CG-CB 4.19Å; Y252-Q255 VanDerWaalsContact N-OE1 3.16Å; Y252-Q255 VanDerWaalsContact O-CB 3.23Å; Y252-Q255 WeakPolarHBondContact O-CB 3.46Å; Y252-Q255 PolarHBondContact O-N 3.48Å; Y252-Q255 VanDerWaalsContact O-N 3.09Å; Y252-Y284 AromaticContact CD2-CD2 3.83Å; Y252-Y284 HydrophobicContact CD2-CD2 3.83Å; Y252-Y284 HydrophobicContact CD2-CE2 4.23Å; Y252-Y284 HydrophobicContact CD2-CG 4.15Å; Y252-Y284 HydrophobicContact CG-CD2 4.29Å; Y252-Y284 HydrophobicContact CG-CG 4.14Å; Y252-T294 HydrophobicContact CD1-CG2 3.71Å; Y252-T294 HydrophobicContact CE1-CG2 4.09Å; Y252-L296 HydrophobicContact CE1-CD2 3.56Å; Y252-L296 WeakPolarHBondContact OH-CD2 3.48Å
253	P	87.6	Confident	90.7	Very high	90 Å²	90	51.5 Å²	51.5	58%	0.584	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	127.7	-177.8	-24.7	34.9	0	0	0	112.8	Q255 Y284	P253-Q255 VanDerWaalsContact C-N 3.31Å; P253-Y284 HydrophobicContact CG-CE1 4.41Å
254	G	86.1	Confident	90.5	Very high	72 Å²	72	52.9 Å²	52.9	74%	0.742	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	10.7	-179.2	0	0	0	0	0	114.5	Y252 V256	Y252-G254 PolarHBondContact O-N 3.08Å; G254-V256 PolarHBondContact O-N 3.35Å
255	Q	87.9	Confident	90.2	Very high	26 Å²	26	55.1 Å²	55.1	12%	0.121	34%	0.336	C	S	.	.			trans	-60	132.8	168.9	-175.7	166.7	-5.2	0	0	110.4	Y252 P253 N257	Y252-Q255 HydrophobicContact CD1-CB 3.78Å; Y252-Q255 HydrophobicContact CD1-CG 4.04Å; Y252-Q255 HydrophobicContact CD2-CB 4.33Å; Y252-Q255 HydrophobicContact CE1-CB 3.5Å; Y252-Q255 VanDerWaalsContact CE1-CB 3.5Å; Y252-Q255 VanDerWaalsContact CE1-CD 3.49Å; Y252-Q255 HydrophobicContact CE1-CG 3.5Å; Y252-Q255 VanDerWaalsContact CE1-CG 3.5Å; Y252-Q255 HydrophobicContact CE2-CB 4.04Å; Y252-Q255 HydrophobicContact CG-CB 4.19Å; Y252-Q255 VanDerWaalsContact N-OE1 3.16Å; Y252-Q255 VanDerWaalsContact O-CB 3.23Å; Y252-Q255 WeakPolarHBondContact O-CB 3.46Å; Y252-Q255 PolarHBondContact O-N 3.48Å; Y252-Q255 VanDerWaalsContact O-N 3.09Å; P253-Q255 VanDerWaalsContact C-N 3.31Å; Q255-N257 PolarHBondContact NE2-OD1 3.1Å
256	V	88.9	Confident	89.7	Confident	121 Å²	121	52.9 Å²	52.9	73%	0.733	33%	0.327	S	S	*	.			trans	-126.4	111.6	174.9	178.5	0	0	0	0	106.6	G254	G254-V256 PolarHBondContact O-N 3.35Å
257	N	89.9	Confident	88.9	Confident	9 Å²	9	62 Å²	62	5%	0.048	37%	0.369	C	S	.	.			trans	-91.3	131.4	174.1	-40.5	-70.4	0	0	0	109.1	L246 Q255 L259 D260	L246-N257 WeakPolarHBondContact O-CB 3.48Å; Q255-N257 PolarHBondContact NE2-OD1 3.1Å; N257-L259 PolarHBondContact O-N 3.33Å; N257-D260 WeakPolarHBondContact CB-OD2 3.4Å; N257-D260 PolarHBondContact ND2-OD2 3.46Å; N257-D260 PolarHBondContact O-N 2.94Å
258	P	89.2	Confident	88	Confident	58 Å²	58	62.8 Å²	62.8	38%	0.377	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.1	-175.1	25.7	-37.5	0	0	0	115.1	D297	P258-D297 VanDerWaalsContact CD-CG 3.4Å; P258-D297 VanDerWaalsContact CD-OD1 3.26Å; P258-D297 WeakPolarHBondContact CD-OD1 3.14Å; P258-D297 WeakPolarHBondContact CD-OD2 3.09Å; P258-D297 VanDerWaalsContact CG-OD2 3.3Å; P258-D297 WeakPolarHBondContact CG-OD2 3.32Å
259	L	90.8	Very high	87.1	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.016	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-5.4	-179.9	-67.4	-176.1	0	0	0	114.1	I243 L246 N257 G261 T262 Y275 L277 Y299	I243-L259 HydrophobicContact CD1-CB 4.15Å; I243-L259 HydrophobicContact CD1-CD1 4.17Å; I243-L259 HydrophobicContact CG2-CB 4.33Å; I243-L259 WeakPolarHBondContact CG2-O 3.37Å; L246-L259 HydrophobicContact CD2-CD1 3.9Å; N257-L259 PolarHBondContact O-N 3.33Å; L259-G261 PolarHBondContact O-N 3.03Å; L259-T262 WeakPolarHBondContact CA-OG1 3.34Å; L259-T262 VanDerWaalsContact O-CB 3.25Å; L259-T262 WeakPolarHBondContact O-CB 3.24Å; L259-T262 PolarHBondContact O-N 3.48Å; L259-T262 VanDerWaalsContact O-N 3.15Å; L259-T262 PolarHBondContact O-OG1 3.41Å; L259-Y275 HydrophobicContact CD1-CD1 3.92Å; L259-Y275 HydrophobicContact CD1-CG 4.16Å; L259-Y275 HydrophobicContact CD2-CD1 3.66Å; L259-Y275 HydrophobicContact CD2-CE1 3.88Å; L259-Y275 HydrophobicContact CG-CD1 4.49Å; L259-L277 HydrophobicContact CD1-CD1 4Å; L259-L277 HydrophobicContact CD1-CD2 3.87Å; L259-L277 HydrophobicContact CD1-CG 4.25Å; L259-L277 HydrophobicContact CG-CD2 4.25Å; L259-Y299 HydrophobicContact CD2-CD2 3.9Å; L259-Y299 HydrophobicContact CD2-CE2 3.94Å; L259-Y299 HydrophobicContact CD2-CG 4.37Å; L259-Y299 HydrophobicContact CG-CD2 4.38Å
260	D	92	Very high	86.3	Confident	60 Å²	60	68.3 Å²	68.3	32%	0.321	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	134.2	178.5	-67.6	-12.1	0	0	0	110.9	E245 L246 N257 T262	E245-D260 VanDerWaalsContact CA-OD1 3.29Å; E245-D260 WeakPolarHBondContact CA-OD1 3.39Å; L246-D260 PolarHBondContact N-OD1 3.45Å; N257-D260 WeakPolarHBondContact CB-OD2 3.4Å; N257-D260 PolarHBondContact ND2-OD2 3.46Å; N257-D260 PolarHBondContact O-N 2.94Å; D260-T262 PolarHBondContact O-N 2.63Å
261	G	92.6	Very high	85.6	Confident	54 Å²	54	63.9 Å²	63.9	56%	0.557	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	7.2	-178.1	0	0	0	0	0	116.1	I243 G244 L259	I243-G261 CarbonylContact O-C 3.54Å; I243-G261 VanDerWaalsContact O-C 3.29Å; I243-G261 WeakPolarHBondContact O-CA 3.44Å; I243-G261 PolarHBondContact O-N 3.4Å; G244-G261 PolarHBondContact O-N 3.35Å; L259-G261 PolarHBondContact O-N 3.03Å
262	T	91.6	Very high	85	Confident	42 Å²	42	61.9 Å²	61.9	26%	0.258	37%	0.368	S	S	.	.			trans	-68	133.5	-178.3	-61.8	0	0	0	0	111.3	S242 I243 L259 D260	S242-T262 CarbonylContact C-O 3.57Å; S242-T262 VanDerWaalsContact CA-O 3.29Å; S242-T262 WeakPolarHBondContact CA-O 3.44Å; I243-T262 PolarHBondContact N-O 3Å; I243-T262 PolarHBondContact O-N 2.9Å; I243-T262 VanDerWaalsContact O-N 3.13Å; L259-T262 WeakPolarHBondContact CA-OG1 3.34Å; L259-T262 VanDerWaalsContact O-CB 3.25Å; L259-T262 WeakPolarHBondContact O-CB 3.24Å; L259-T262 PolarHBondContact O-N 3.48Å; L259-T262 VanDerWaalsContact O-N 3.15Å; L259-T262 PolarHBondContact O-OG1 3.41Å; D260-T262 PolarHBondContact O-N 2.63Å
263	K	93	Very high	84.9	Confident	176 Å²	176	59.9 Å²	59.9	77%	0.765	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.8	174	-60.4	-172.4	179.6	-177.9	0	110.4
264	L	90.4	Very high	84.9	Confident	31 Å²	31	56.2 Å²	56.2	16%	0.162	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	116.7	175.7	-174.6	71	0	0	0	110.5	S240 H241 V266 V273 W304	S240-L264 CarbonylContact C-O 3.29Å; S240-L264 WeakPolarHBondContact CA-O 3.44Å; S240-L264 WeakPolarHBondContact CB-O 3.29Å; H241-L264 PolarHBondContact N-O 3.28Å; H241-L264 PolarHBondContact O-N 3.29Å; L264-V266 HydrophobicContact CD2-CG2 4.36Å; L264-V273 HydrophobicContact CD2-CB 4.08Å; L264-V273 HydrophobicContact CD2-CG1 3.43Å; L264-V273 VanDerWaalsContact CD2-CG1 3.43Å; L264-V273 HydrophobicContact CD2-CG2 3.52Å; L264-W304 HydrophobicContact CD1-CE3 4.41Å; L264-W304 HydrophobicContact CD1-CH2 3.64Å; L264-W304 HydrophobicContact CD1-CZ3 3.59Å; L264-W304 HydrophobicContact CD2-CE3 4.04Å; L264-W304 HydrophobicContact CD2-CH2 4.39Å; L264-W304 HydrophobicContact CD2-CZ3 3.51Å; L264-W304 HydrophobicContact CG-CZ3 4.22Å
265	A	89.7	Confident	85.1	Confident	83 Å²	83	53 Å²	53	69%	0.686	30%	0.301	S	S	*	.			trans	-98.6	116.8	169.5	0	0	0	0	0	109.5	S240	S240-A265 WeakPolarHBondContact OG-CA 3.33Å
266	V	83.6	Confident	85.1	Confident	15 Å²	15	55 Å²	55	9%	0.091	31%	0.308	C	S	.	.			trans	-83.1	131.8	178.2	166.4	0	0	0	0	109.8	V239 S240 L264 T268 Q271 V273	V239-V266 HydrophobicContact CG2-CG2 3.98Å; S240-V266 PolarHBondContact OG-N 3.49Å; L264-V266 HydrophobicContact CD2-CG2 4.36Å; V266-T268 WeakPolarHBondContact CG1-O 3.47Å; V266-Q271 HydrophobicContact CG1-CB 3.96Å; V266-Q271 VanDerWaalsContact CG1-CD 3.45Å; V266-Q271 HydrophobicContact CG1-CG 3.86Å; V266-V273 HydrophobicContact CG2-CG2 4.1Å
267	Q	75.5	Confident	85	Confident	191 Å²	191	49.2 Å²	49.2	89%	0.893	27%	0.273	S	S	*	.	S	Bend	trans	-84.2	-29.8	-177.1	-65.8	-171.5	-1.9	0	0	114.2
268	T	72	Confident	84.7	Confident	50 Å²	50	52.5 Å²	52.5	31%	0.307	29%	0.287	S	S	.	.	S	Bend	trans	-119.7	141.4	179	74.1	0	0	0	0	110.1	V266 Q271	V266-T268 WeakPolarHBondContact CG1-O 3.47Å; T268-Q271 WeakPolarHBondContact O-CG 3.36Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.27Å; T268-Q271 PolarHBondContact OG1-NE2 3.27Å
269	H	72.8	Confident	84.6	Confident	93 Å²	93	49.8 Å²	49.8	43%	0.431	27%	0.269	S	S	.	.	S	Bend	trans	-60.6	156.4	172.6	-55.2	95	0	0	0	111.5	Q236	Q236-H269 HydrophobicContact CB-CB 3.55Å; Q236-H269 HydrophobicContact CG-CB 3.98Å; Q236-H269 PolarHBondContact OE1-ND1 3.45Å
270	S	70.9	Confident	84.3	Confident	31 Å²	31	52.3 Å²	52.3	22%	0.217	28%	0.284	C	S	.	.	S	Bend	trans	64.4	45.9	174.6	-50.7	0	0	0	0	115.3	F237 I316	F237-S270 PolarHBondContact O-N 2.85Å; S270-I316 WeakPolarHBondContact OG-CD1 3.31Å
271	Q	73.8	Confident	84	Confident	28 Å²	28	51 Å²	51	13%	0.131	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	151.1	171.1	-67.8	-173.6	10.6	0	0	112.4	V239 V266 T268	V239-Q271 WeakPolarHBondContact CG2-O 3.35Å; V266-Q271 HydrophobicContact CG1-CB 3.96Å; V266-Q271 VanDerWaalsContact CG1-CD 3.45Å; V266-Q271 HydrophobicContact CG1-CG 3.86Å; T268-Q271 WeakPolarHBondContact O-CG 3.36Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.27Å; T268-Q271 PolarHBondContact OG1-NE2 3.27Å
272	M	79.2	Confident	83.7	Confident	23 Å²	23	50.1 Å²	50.1	11%	0.113	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.8	164.7	-165.4	177.4	166.7	0	0	109	I274 R305 C315 H317	M272-I274 HydrophobicContact CE-CD1 3.45Å; M272-I274 VanDerWaalsContact CE-CD1 3.45Å; M272-I274 HydrophobicContact CE-CG1 3.65Å; M272-I274 HydrophobicContact CG-CD1 4.35Å; M272-I274 HydrophobicContact CG-CG1 3.99Å; M272-I274 HydrophobicContact SD-CD1 3.93Å; M272-I274 HydrophobicContact SD-CG1 4.19Å; M272-R305 PolarHBondContact N-O 3.08Å; M272-R305 PolarHBondContact O-N 3.45Å; M272-C315 VanDerWaalsContact CB-O 3.23Å; M272-C315 WeakPolarHBondContact CB-O 3Å; M272-C315 HydrophobicContact CG-CB 4.47Å; M272-C315 HydrophobicContact SD-CB 3.81Å; M272-H317 WeakPolarHBondContact CE-CE1 3.39Å; M272-H317 WeakPolarHBondContact CE-NE2 3.32Å
273	V	85.8	Confident	83.5	Confident	1 Å²	1	53 Å²	53	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.6	173.4	-178	0	0	0	0	108.8	V239 L264 V266 Y275 W304 H317 L318 S319	V239-V273 HydrophobicContact CG2-CG2 4.26Å; L264-V273 HydrophobicContact CD2-CB 4.08Å; L264-V273 HydrophobicContact CD2-CG1 3.43Å; L264-V273 VanDerWaalsContact CD2-CG1 3.43Å; L264-V273 HydrophobicContact CD2-CG2 3.52Å; V266-V273 HydrophobicContact CG2-CG2 4.1Å; V273-Y275 HydrophobicContact CG1-CD2 4.1Å; V273-Y275 HydrophobicContact CG1-CE2 3.46Å; V273-Y275 VanDerWaalsContact CG1-CE2 3.46Å; V273-W304 HydrophobicContact CG1-CE3 4.06Å; V273-W304 HydrophobicContact CG1-CZ3 4.01Å; V273-H317 PolarHBondContact N-O 2.82Å; V273-L318 HydrophobicContact CG1-CD1 4.43Å; V273-L318 CarbonylContact O-C 3.59Å; V273-L318 WeakPolarHBondContact O-CA 3.42Å; V273-S319 PolarHBondContact O-N 3.14Å
274	I	88.3	Confident	83.3	Confident	14 Å²	14	47.8 Å²	47.8	7%	0.072	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.5	-177.8	-50.1	174.2	0	0	0	109.9	M272 Y276 N302 H303 S319 Y321	M272-I274 HydrophobicContact CE-CD1 3.45Å; M272-I274 VanDerWaalsContact CE-CD1 3.45Å; M272-I274 HydrophobicContact CE-CG1 3.65Å; M272-I274 HydrophobicContact CG-CD1 4.35Å; M272-I274 HydrophobicContact CG-CG1 3.99Å; M272-I274 HydrophobicContact SD-CD1 3.93Å; M272-I274 HydrophobicContact SD-CG1 4.19Å; I274-Y276 HydrophobicContact CB-CE2 4.22Å; I274-Y276 HydrophobicContact CG2-CD2 4.08Å; I274-Y276 HydrophobicContact CG2-CE1 4.21Å; I274-Y276 HydrophobicContact CG2-CE2 3.51Å; I274-N302 WeakPolarHBondContact O-CA 3.37Å; I274-H303 PolarHBondContact N-O 2.93Å; I274-H303 PolarHBondContact O-N 3.47Å; I274-S319 CarbonylContact C-O 3.45Å; I274-S319 WeakPolarHBondContact CA-O 3.33Å; I274-Y321 HydrophobicContact CG2-CD2 3.5Å; I274-Y321 VanDerWaalsContact CG2-CD2 3.5Å; I274-Y321 HydrophobicContact CG2-CE2 3.51Å
275	Y	89.6	Confident	83.3	Confident	3 Å²	3	51.5 Å²	51.5	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130	170.1	-62.6	-93.4	0	0	0	109.5	H241 I243 L259 V273 Y299 L318 S319 V320 Y321	H241-Y275 AromaticContact NE2-CE2 3.39Å; H241-Y275 WeakPolarHBondContact NE2-CE2 3.4Å; H241-Y275 AromaticContact NE2-CZ 3.55Å; H241-Y275 PolarHBondContact NE2-OH 3.34Å; I243-Y275 HydrophobicContact CD1-CE1 4.38Å; I243-Y275 HydrophobicContact CD1-CE2 4.27Å; L259-Y275 HydrophobicContact CD1-CD1 3.92Å; L259-Y275 HydrophobicContact CD1-CG 4.16Å; L259-Y275 HydrophobicContact CD2-CD1 3.66Å; L259-Y275 HydrophobicContact CD2-CE1 3.88Å; L259-Y275 HydrophobicContact CG-CD1 4.49Å; V273-Y275 HydrophobicContact CG1-CD2 4.1Å; V273-Y275 HydrophobicContact CG1-CE2 3.46Å; V273-Y275 VanDerWaalsContact CG1-CE2 3.46Å; Y275-Y299 AromaticContact CD1-CE2 3.67Å; Y275-Y299 HydrophobicContact CD1-CE2 3.67Å; Y275-Y299 HydrophobicContact CG-CE2 4.45Å; Y275-L318 HydrophobicContact CD2-CD1 3.33Å; Y275-L318 HydrophobicContact CE2-CD1 3.25Å; Y275-S319 PolarHBondContact N-O 3.13Å; Y275-V320 WeakPolarHBondContact O-CA 3.41Å; Y275-Y321 PolarHBondContact O-N 3.26Å
276	Y	87.3	Confident	83.2	Confident	69 Å²	69	48.7 Å²	48.7	27%	0.271	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.6	173.6	-65.1	-85.4	0	0	0	110	I274 M300 C301 H303 Y321 Y323	I274-Y276 HydrophobicContact CB-CE2 4.22Å; I274-Y276 HydrophobicContact CG2-CD2 4.08Å; I274-Y276 HydrophobicContact CG2-CE1 4.21Å; I274-Y276 HydrophobicContact CG2-CE2 3.51Å; Y276-M300 PolarHBondContact O-N 3.03Å; Y276-C301 PolarHBondContact N-O 2.83Å; Y276-H303 HydrophobicContact CE2-CB 4.3Å; Y276-Y321 HydrophobicContact CD1-CD2 4.11Å; Y276-Y321 HydrophobicContact CD1-CG 4.1Å; Y276-Y321 AromaticContact CE1-CD2 3.76Å; Y276-Y321 HydrophobicContact CE1-CD2 3.76Å; Y276-Y321 HydrophobicContact CE1-CE2 4.35Å; Y276-Y321 AromaticContact CE1-CG 3.96Å; Y276-Y321 HydrophobicContact CE1-CG 3.96Å; Y276-Y323 HydrophobicContact CD1-CE2 4.06Å
277	L	86.7	Confident	83.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.6	178.2	-63.6	174.9	0	0	0	110.6	L246 F248 L259 Y299 V320 Y321 M322 Y323	L246-L277 HydrophobicContact CD2-CD1 3.84Å; F248-L277 HydrophobicContact CE2-CD1 3.64Å; F248-L277 HydrophobicContact CZ-CD1 3.48Å; F248-L277 VanDerWaalsContact CZ-CD1 3.48Å; L259-L277 HydrophobicContact CD1-CD1 4Å; L259-L277 HydrophobicContact CD1-CD2 3.87Å; L259-L277 HydrophobicContact CD1-CG 4.25Å; L259-L277 HydrophobicContact CG-CD2 4.25Å; L277-Y299 HydrophobicContact CD2-CD2 3.87Å; L277-V320 HydrophobicContact CD1-CG1 3.44Å; L277-V320 VanDerWaalsContact CD1-CG1 3.44Å; L277-V320 HydrophobicContact CG-CG1 4.08Å; L277-Y321 WeakPolarHBondContact CA-O 3.36Å; L277-Y321 PolarHBondContact N-O 3.16Å; L277-Y321 VanDerWaalsContact O-O 3.11Å; L277-M322 WeakPolarHBondContact O-CA 3.25Å; L277-Y323 PolarHBondContact O-N 3.08Å
278	K	84.5	Confident	84	Confident	78 Å²	78	56.1 Å²	56.1	34%	0.339	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.5	167.8	-175	175.3	-174.9	176.3	0	108.7	D297 K298 M300	K278-D297 CarbonylContact O-C 3.53Å; K278-D297 WeakPolarHBondContact O-CA 3.33Å; K278-K298 HydrophobicContact CB-CB 4.33Å; K278-K298 PolarHBondContact N-O 3.11Å; K278-K298 PolarHBondContact O-N 2.79Å; K278-M300 HydrophobicContact CB-CG 4.29Å; K278-M300 HydrophobicContact CB-SD 3.78Å; K278-M300 HydrophobicContact CD-SD 4.41Å
279	L	85.8	Confident	84.6	Confident	1 Å²	1	64 Å²	64	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.7	178.8	-57.9	-174.6	0	0	0	109.9	M69 F248 L296 D297 M322 Y323 T324 T325	M69-L279 HydrophobicContact CE-CD1 4.26Å; M69-L279 HydrophobicContact SD-CD1 4.21Å; F248-L279 HydrophobicContact CB-CD1 4.41Å; F248-L279 HydrophobicContact CB-CD2 4.27Å; F248-L279 HydrophobicContact CD1-CD1 3.6Å; F248-L279 HydrophobicContact CD1-CD2 3.97Å; F248-L279 HydrophobicContact CD1-CG 4.46Å; F248-L279 HydrophobicContact CD2-CD2 3.56Å; F248-L279 HydrophobicContact CE1-CD1 4.07Å; F248-L279 HydrophobicContact CE1-CD2 4.26Å; F248-L279 HydrophobicContact CE2-CD2 3.84Å; F248-L279 HydrophobicContact CG-CD1 3.97Å; F248-L279 HydrophobicContact CG-CD2 3.64Å; F248-L279 HydrophobicContact CG-CG 4.48Å; F248-L279 HydrophobicContact CZ-CD2 4.19Å; L279-L296 CarbonylContact C-O 3.5Å; L279-L296 WeakPolarHBondContact CA-O 3.36Å; L279-D297 HydrophobicContact CD2-CB 3.5Å; L279-M322 HydrophobicContact CD1-CB 3.82Å; L279-M322 HydrophobicContact CD1-CG 3.94Å; L279-M322 HydrophobicContact CD1-SD 4.02Å; L279-M322 HydrophobicContact CG-CB 4.22Å; L279-M322 HydrophobicContact CG-CG 4.45Å; L279-Y323 PolarHBondContact N-O 3.22Å; L279-T324 WeakPolarHBondContact O-CA 3.07Å; L279-T325 PolarHBondContact O-N 2.03Å
280	V	85.5	Confident	85.3	Confident	56 Å²	56	64.5 Å²	64.5	34%	0.339	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.9	175.5	-177.1	0	0	0	0	108.5	T282 F295 L296	V280-T282 PolarHBondContact O-N 3.22Å; V280-T282 PolarHBondContact O-OG1 2.95Å; V280-T282 VanDerWaalsContact O-OG1 3.11Å; V280-F295 WeakPolarHBondContact O-CA 3.39Å; V280-L296 PolarHBondContact N-O 2.88Å; V280-L296 PolarHBondContact O-N 2.58Å
281	P	86.1	Confident	86	Confident	33 Å²	33	67 Å²	67	21%	0.214	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	128.7	170.3	-28.4	35.9	0	0	0	112.3	R206 F295 T325	R206-P281 VanDerWaalsContact NH2-CB 3.26Å; P281-F295 HydrophobicContact CB-CD1 4.38Å; P281-F295 HydrophobicContact CB-CE1 4.17Å; P281-F295 HydrophobicContact CG-CD1 4.15Å; P281-F295 HydrophobicContact CG-CE1 3.89Å; P281-T325 WeakPolarHBondContact CD-O 3.41Å
282	T	85.8	Confident	86.5	Confident	35 Å²	35	67.8 Å²	67.8	22%	0.215	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	131.8	-176.6	-62.2	0	0	0	0	110.2	V280 T294 L296	V280-T282 PolarHBondContact O-N 3.22Å; V280-T282 PolarHBondContact O-OG1 2.95Å; V280-T282 VanDerWaalsContact O-OG1 3.11Å; T282-T294 HydrophobicContact CG2-CG2 4.49Å; T282-T294 PolarHBondContact N-O 3.33Å; T282-T294 CarbonylContact O-C 3.28Å; T282-T294 PolarHBondContact O-N 2.91Å; T282-L296 HydrophobicContact CG2-CD1 3.94Å; T282-L296 HydrophobicContact CG2-CG 4.06Å; T282-L296 WeakPolarHBondContact OG1-CD1 3.31Å; T282-L296 VanDerWaalsContact OG1-CG 3.25Å; T282-L296 WeakPolarHBondContact OG1-CG 3.21Å
283	M	86.6	Confident	86.7	Confident	101 Å²	101	70.3 Å²	70.3	50%	0.498	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.8	169.9	-62.8	-172	-47.8	0	0	108.9	I60 I292	I60-M283 HydrophobicContact CD1-CE 3.22Å; I60-M283 HydrophobicContact CD1-SD 4.21Å; I60-M283 HydrophobicContact CG1-CE 4.29Å; M283-I292 WeakPolarHBondContact CA-O 3.26Å
284	Y	88.8	Confident	86.7	Confident	68 Å²	68	70.4 Å²	70.4	27%	0.267	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.4	172.3	174.1	-97.5	0	0	0	109.7	Y252 P253 V291 I292	Y252-Y284 AromaticContact CD2-CD2 3.83Å; Y252-Y284 HydrophobicContact CD2-CD2 3.83Å; Y252-Y284 HydrophobicContact CD2-CE2 4.23Å; Y252-Y284 HydrophobicContact CD2-CG 4.15Å; Y252-Y284 HydrophobicContact CG-CD2 4.29Å; Y252-Y284 HydrophobicContact CG-CG 4.14Å; P253-Y284 HydrophobicContact CG-CE1 4.41Å; Y284-V291 CarbonylContact O-C 3.5Å; Y284-V291 WeakPolarHBondContact O-CA 3.17Å; Y284-I292 HydrophobicContact CD1-CB 4.46Å; Y284-I292 HydrophobicContact CD1-CD1 4.07Å; Y284-I292 HydrophobicContact CD1-CG1 4.4Å; Y284-I292 PolarHBondContact N-O 2.74Å; Y284-I292 PolarHBondContact O-N 3.03Å
285	I	90	Very high	86.4	Confident	108 Å²	108	70.2 Å²	70.2	55%	0.554	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	112.7	176.5	-53.8	178.6	0	0	0	108.3	V291	I285-V291 HydrophobicContact CG1-CG2 4.33Å
286	S	89.2	Confident	85.8	Confident	25 Å²	25	73 Å²	73	18%	0.175	36%	0.355	C	S	.	.			trans	-72.7	164.5	177	67	0	0	0	0	112.5	R288 R289 N290	S286-R288 PolarHBondContact O-N 3.29Å; S286-R288 VanDerWaalsContact O-N 3.1Å; S286-R288 PolarHBondContact OG-N 2.04Å; S286-R289 WeakPolarHBondContact O-CA 3.09Å; S286-R289 PolarHBondContact O-N 2.68Å; S286-N290 PolarHBondContact N-O 3.37Å; S286-N290 WeakPolarHBondContact OG-CB 3.32Å; S286-N290 PolarHBondContact OG-N 2.97Å; S286-N290 PolarHBondContact OG-O 3.5Å
287	L	87.2	Confident	85.3	Confident	144 Å²	144	70.4 Å²	70.4	75%	0.754	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-27.9	171.2	-67.8	175	0	0	0	113.3	T53 R289	T53-L287 HydrophobicContact CG2-CD1 4.3Å; T53-L287 HydrophobicContact CG2-CD2 4.05Å; T53-L287 HydrophobicContact CG2-CG 4.42Å; L287-R289 PolarHBondContact O-N 2.74Å
288	R	88	Confident	84.5	Confident	217 Å²	217	77.6 Å²	77.6	82%	0.819	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	7.3	175.8	-63.8	-172.6	-178	179.5	1.8	113.4	S286 N290	S286-R288 PolarHBondContact O-N 3.29Å; S286-R288 VanDerWaalsContact O-N 3.1Å; S286-R288 PolarHBondContact OG-N 2.04Å; R288-N290 PolarHBondContact O-N 3.48Å
289	R	84.8	Confident	83.5	Confident	217 Å²	217	77.2 Å²	77.2	82%	0.819	37%	0.374	S	S	*	.			trans	61.4	18.1	-175.4	-55.7	-175.2	174.9	-149.8	-0.8	115.1	S286 L287 V291	S286-R289 WeakPolarHBondContact O-CA 3.09Å; S286-R289 PolarHBondContact O-N 2.68Å; L287-R289 PolarHBondContact O-N 2.74Å; R289-V291 PolarHBondContact O-N 3.06Å
290	N	87.5	Confident	82	Confident	103 Å²	103	83 Å²	83	55%	0.551	40%	0.402	S	S	*	.			trans	-69.1	130.1	164.7	-61.3	-21.6	0	0	0	108.6	S286 R288	S286-N290 PolarHBondContact N-O 3.37Å; S286-N290 WeakPolarHBondContact OG-CB 3.32Å; S286-N290 PolarHBondContact OG-N 2.97Å; S286-N290 PolarHBondContact OG-O 3.5Å; R288-N290 PolarHBondContact O-N 3.48Å
291	V	85.8	Confident	80.7	Confident	84 Å²	84	83.4 Å²	83.4	51%	0.509	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.5	176.8	-175.8	0	0	0	0	108.2	Y284 I285 R289	Y284-V291 CarbonylContact O-C 3.5Å; Y284-V291 WeakPolarHBondContact O-CA 3.17Å; I285-V291 HydrophobicContact CG1-CG2 4.33Å; R289-V291 PolarHBondContact O-N 3.06Å
292	I	84.5	Confident	79.3	Confident	43 Å²	43	84.9 Å²	84.9	22%	0.221	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121	173.2	-57.9	178	0	0	0	107.2	E250 M283 Y284	E250-I292 HydrophobicContact CB-CG2 3.5Å; E250-I292 VanDerWaalsContact CB-CG2 3.5Å; E250-I292 HydrophobicContact CG-CG2 4.48Å; M283-I292 WeakPolarHBondContact CA-O 3.26Å; Y284-I292 HydrophobicContact CD1-CB 4.46Å; Y284-I292 HydrophobicContact CD1-CD1 4.07Å; Y284-I292 HydrophobicContact CD1-CG1 4.4Å; Y284-I292 PolarHBondContact N-O 2.74Å; Y284-I292 PolarHBondContact O-N 3.03Å
293	C	83	Confident	78.2	Confident	77 Å²	77	88 Å²	88	52%	0.52	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	116.7	172.5	-62.9	0	0	0	0	108.7
294	T	85.4	Confident	76.9	Confident	3 Å²	3	88.4 Å²	88.4	2%	0.018	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	179.3	-174.9	-169.4	0	0	0	0	110.3	F248 E250 Y252 T282	F248-T294 PolarHBondContact O-OG1 2.62Å; E250-T294 WeakPolarHBondContact O-CB 3.22Å; E250-T294 PolarHBondContact O-OG1 3.29Å; Y252-T294 HydrophobicContact CD1-CG2 3.71Å; Y252-T294 HydrophobicContact CE1-CG2 4.09Å; T282-T294 HydrophobicContact CG2-CG2 4.49Å; T282-T294 PolarHBondContact N-O 3.33Å; T282-T294 CarbonylContact O-C 3.28Å; T282-T294 PolarHBondContact O-N 2.91Å
295	F	81.8	Confident	75.1	Confident	10 Å²	10	93.2 Å²	93.2	4%	0.044	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.6	176.9	-61.5	-98.3	0	0	0	109	M69 R206 F248 V280 P281	M69-F295 HydrophobicContact CB-CE2 4.13Å; M69-F295 HydrophobicContact CE-CD1 3.6Å; M69-F295 HydrophobicContact CE-CD2 3.71Å; M69-F295 HydrophobicContact CE-CE1 3.4Å; M69-F295 HydrophobicContact CE-CE2 3.56Å; M69-F295 HydrophobicContact CE-CG 3.77Å; M69-F295 HydrophobicContact CE-CZ 3.4Å; M69-F295 VanDerWaalsContact CE-CZ 3.4Å; M69-F295 HydrophobicContact CG-CD2 3.65Å; M69-F295 HydrophobicContact CG-CE2 3.49Å; M69-F295 VanDerWaalsContact CG-CE2 3.49Å; M69-F295 HydrophobicContact CG-CZ 4.25Å; M69-F295 HydrophobicContact SD-CB 4.31Å; M69-F295 HydrophobicContact SD-CD1 4.14Å; M69-F295 HydrophobicContact SD-CD2 3.33Å; M69-F295 WeakPolarHBondContact SD-CD2 3.27Å; M69-F295 HydrophobicContact SD-CE1 4.35Å; M69-F295 HydrophobicContact SD-CE2 3.62Å; M69-F295 HydrophobicContact SD-CG 3.66Å; M69-F295 HydrophobicContact SD-CZ 4.13Å; R206-F295 HydrophobicContact CG-CE1 3.87Å; R206-F295 HydrophobicContact CG-CZ 3.71Å; F248-F295 HydrophobicContact CB-CB 3.71Å; F248-F295 HydrophobicContact CB-CG 4.47Å; F248-F295 PolarHBondContact O-N 3.47Å; V280-F295 WeakPolarHBondContact O-CA 3.39Å; P281-F295 HydrophobicContact CB-CD1 4.38Å; P281-F295 HydrophobicContact CB-CE1 4.17Å; P281-F295 HydrophobicContact CG-CD1 4.15Å; P281-F295 HydrophobicContact CG-CE1 3.89Å
296	L	77.8	Confident	73.2	Confident	61 Å²	61	90.8 Å²	90.8	32%	0.319	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.1	168.5	-64.9	177.9	0	0	0	108.3	Y252 L279 V280 T282	Y252-L296 HydrophobicContact CE1-CD2 3.56Å; Y252-L296 WeakPolarHBondContact OH-CD2 3.48Å; L279-L296 CarbonylContact C-O 3.5Å; L279-L296 WeakPolarHBondContact CA-O 3.36Å; V280-L296 PolarHBondContact N-O 2.88Å; V280-L296 PolarHBondContact O-N 2.58Å; T282-L296 HydrophobicContact CG2-CD1 3.94Å; T282-L296 HydrophobicContact CG2-CG 4.06Å; T282-L296 WeakPolarHBondContact OG1-CD1 3.31Å; T282-L296 VanDerWaalsContact OG1-CG 3.25Å; T282-L296 WeakPolarHBondContact OG1-CG 3.21Å
297	D	77.4	Confident	71.2	Confident	15 Å²	15	91.7 Å²	91.7	8%	0.08	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	139	172.9	66	-38.2	0	0	0	111	F248 P258 K278 L279	F248-D297 HydrophobicContact CD2-CB 3.84Å; F248-D297 HydrophobicContact CE2-CB 3.93Å; P258-D297 VanDerWaalsContact CD-CG 3.4Å; P258-D297 VanDerWaalsContact CD-OD1 3.26Å; P258-D297 WeakPolarHBondContact CD-OD1 3.14Å; P258-D297 WeakPolarHBondContact CD-OD2 3.09Å; P258-D297 VanDerWaalsContact CG-OD2 3.3Å; P258-D297 WeakPolarHBondContact CG-OD2 3.32Å; K278-D297 CarbonylContact O-C 3.53Å; K278-D297 WeakPolarHBondContact O-CA 3.33Å; L279-D297 HydrophobicContact CD2-CB 3.5Å
298	K	68.7	Low	68.9	Low	150 Å²	150	94.6 Å²	94.6	65%	0.652	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.3	172.8	-133.9	177.5	-174.7	178.3	0	107.7	K278	K278-K298 HydrophobicContact CB-CB 4.33Å; K278-K298 PolarHBondContact N-O 3.11Å; K278-K298 PolarHBondContact O-N 2.79Å
299	Y	64.7	Low	66.4	Low	71 Å²	71	87.3 Å²	87.3	28%	0.278	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.2	175.5	-176.7	-116.3	0	0	0	110.8	L259 Y275 L277 C301 N302	L259-Y299 HydrophobicContact CD2-CD2 3.9Å; L259-Y299 HydrophobicContact CD2-CE2 3.94Å; L259-Y299 HydrophobicContact CD2-CG 4.37Å; L259-Y299 HydrophobicContact CG-CD2 4.38Å; Y275-Y299 AromaticContact CD1-CE2 3.67Å; Y275-Y299 HydrophobicContact CD1-CE2 3.67Å; Y275-Y299 HydrophobicContact CG-CE2 4.45Å; L277-Y299 HydrophobicContact CD2-CD2 3.87Å; Y299-C301 WeakPolarHBondContact CE2-O 3.04Å; Y299-C301 VanDerWaalsContact CZ-C 3.44Å; Y299-N302 WeakPolarHBondContact OH-CA 3.33Å; Y299-N302 WeakPolarHBondContact OH-CB 3.39Å; Y299-N302 PolarHBondContact OH-N 3.31Å; Y299-N302 PolarHBondContact OH-ND2 3.26Å
300	M	54.2	Low	64.2	Low	122 Å²	122	81 Å²	81	60%	0.601	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	-46	-176	-71.1	-177.7	58.7	0	0	112.9	Y276 K278	Y276-M300 PolarHBondContact O-N 3.03Å; K278-M300 HydrophobicContact CB-CG 4.29Å; K278-M300 HydrophobicContact CB-SD 3.78Å; K278-M300 HydrophobicContact CD-SD 4.41Å
301	C	57.6	Low	61.7	Low	65 Å²	65	85.3 Å²	85.3	44%	0.439	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	152.2	-179.1	-159	0	0	0	0	111.9	Y276 Y299	Y276-C301 PolarHBondContact N-O 2.83Å; Y299-C301 WeakPolarHBondContact CE2-O 3.04Å; Y299-C301 VanDerWaalsContact CZ-C 3.44Å
302	N	57.5	Low	59.4	Low	63 Å²	63	88.1 Å²	88.1	34%	0.337	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	142.4	160.3	33.1	26.8	0	0	0	109.3	I274 Y299 W304	I274-N302 WeakPolarHBondContact O-CA 3.37Å; Y299-N302 WeakPolarHBondContact OH-CA 3.33Å; Y299-N302 WeakPolarHBondContact OH-CB 3.39Å; Y299-N302 PolarHBondContact OH-N 3.31Å; Y299-N302 PolarHBondContact OH-ND2 3.26Å; N302-W304 HydrophobicContact CB-CE3 4.31Å; N302-W304 HydrophobicContact CB-CH2 3.44Å; N302-W304 VanDerWaalsContact CB-CH2 3.44Å; N302-W304 HydrophobicContact CB-CZ2 3.82Å; N302-W304 HydrophobicContact CB-CZ3 3.67Å; N302-W304 VanDerWaalsContact CG-CH2 3.42Å; N302-W304 VanDerWaalsContact CG-CZ2 3.47Å; N302-W304 WeakPolarHBondContact ND2-CH2 3.49Å; N302-W304 WeakPolarHBondContact ND2-CZ2 3.13Å
303	H	61.3	Low	57.3	Low	100 Å²	100	90 Å²	90	46%	0.463	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.4	167.1	-160.1	62.8	0	0	0	110.8	I274 Y276	I274-H303 PolarHBondContact N-O 2.93Å; I274-H303 PolarHBondContact O-N 3.47Å; Y276-H303 HydrophobicContact CE2-CB 4.3Å
304	W	59.3	Low	55.3	Low	111 Å²	111	87.5 Å²	87.5	42%	0.42	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.9	174.9	-5.1	95	0	0	0	108.4	L264 V273 N302	L264-W304 HydrophobicContact CD1-CE3 4.41Å; L264-W304 HydrophobicContact CD1-CH2 3.64Å; L264-W304 HydrophobicContact CD1-CZ3 3.59Å; L264-W304 HydrophobicContact CD2-CE3 4.04Å; L264-W304 HydrophobicContact CD2-CH2 4.39Å; L264-W304 HydrophobicContact CD2-CZ3 3.51Å; L264-W304 HydrophobicContact CG-CZ3 4.22Å; V273-W304 HydrophobicContact CG1-CE3 4.06Å; V273-W304 HydrophobicContact CG1-CZ3 4.01Å; N302-W304 HydrophobicContact CB-CE3 4.31Å; N302-W304 HydrophobicContact CB-CH2 3.44Å; N302-W304 VanDerWaalsContact CB-CH2 3.44Å; N302-W304 HydrophobicContact CB-CZ2 3.82Å; N302-W304 HydrophobicContact CB-CZ3 3.67Å; N302-W304 VanDerWaalsContact CG-CH2 3.42Å; N302-W304 VanDerWaalsContact CG-CZ2 3.47Å; N302-W304 WeakPolarHBondContact ND2-CH2 3.49Å; N302-W304 WeakPolarHBondContact ND2-CZ2 3.13Å
305	R	52.5	Low	53.7	Low	169 Å²	169	89.6 Å²	89.6	64%	0.638	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.6	171.8	-165.4	173.3	-178.2	-160.7	0.2	108.9	M272	M272-R305 PolarHBondContact N-O 3.08Å; M272-R305 PolarHBondContact O-N 3.45Å
306	S	48.8	Very low	52.5	Low	56 Å²	56	89.5 Å²	89.5	39%	0.392	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	129.5	164.8	-176.5	0	0	0	0	108.9	Y308	S306-Y308 WeakPolarHBondContact OG-CD2 3.43Å; S306-Y308 WeakPolarHBondContact OG-CE2 3.32Å
307	I	48.3	Very low	52.1	Low	45 Å²	45	87.5 Å²	87.5	23%	0.231	45%	0.447	C	S	.	.			trans	-108.1	92.2	179.4	-55	176	0	0	0	108.6	F312 C315	I307-F312 WeakPolarHBondContact CG2-O 3.33Å; I307-C315 HydrophobicContact CD1-CB 3.49Å; I307-C315 VanDerWaalsContact CD1-CB 3.49Å; I307-C315 WeakPolarHBondContact CD1-O 3.48Å
308	Y	38	Very low	51.8	Low	205 Å²	205	87 Å²	87	80%	0.804	44%	0.444	S	S	*	.			trans	-93.7	81.3	163.8	-77.1	-83	0	0	0	109	S306	S306-Y308 WeakPolarHBondContact OG-CD2 3.43Å; S306-Y308 WeakPolarHBondContact OG-CE2 3.32Å
309	S	35.3	Very low	52.2	Low	63 Å²	63	79.9 Å²	79.9	44%	0.441	41%	0.414	S	S	.	.			trans	-156.6	123.6	161.3	75.4	0	0	0	0	112.5	K311 F312	S309-K311 PolarHBondContact O-N 3.33Å; S309-F312 PolarHBondContact O-N 2.96Å
310	G	38.9	Very low	52.7	Low	85 Å²	85	76.5 Å²	76.5	88%	0.876	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	18	-174.8	0	0	0	0	0	116.9
311	K	35.7	Very low	53.8	Low	194 Å²	194	74.1 Å²	74.1	84%	0.843	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	-22.2	172.6	-100.1	-176.4	176.5	179	0	114.1	S309	S309-K311 PolarHBondContact O-N 3.33Å
312	F	36.3	Very low	54.8	Low	142 Å²	142	71.5 Å²	71.5	62%	0.623	37%	0.367	S	S	*	.			trans	-122.4	66.5	174.8	-72.7	-84.1	0	0	0	109.1	I307 S309 G314	I307-F312 WeakPolarHBondContact CG2-O 3.33Å; S309-F312 PolarHBondContact O-N 2.96Å; F312-G314 PolarHBondContact O-N 3.04Å
313	S	40.6	Very low	55.5	Low	84 Å²	84	73.7 Å²	73.7	59%	0.587	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	23.5	165.8	-52.3	0	0	0	0	112.4	F229	F229-S313 WeakPolarHBondContact CD2-O 3.48Å; F229-S313 WeakPolarHBondContact CE2-O 3.42Å
314	G	41	Very low	55.8	Low	23 Å²	23	71.3 Å²	71.3	24%	0.237	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-10.3	-153.8	0	0	0	0	0	116.9	F312	F312-G314 PolarHBondContact O-N 3.04Å
315	C	51.9	Low	56	Low	47 Å²	47	72 Å²	72	32%	0.318	38%	0.381	S	S	.	.			trans	-116.3	61.3	-177.2	-48	0	0	0	0	110.9	M272 I307	M272-C315 VanDerWaalsContact CB-O 3.23Å; M272-C315 WeakPolarHBondContact CB-O 3Å; M272-C315 HydrophobicContact CG-CB 4.47Å; M272-C315 HydrophobicContact SD-CB 3.81Å; I307-C315 HydrophobicContact CD1-CB 3.49Å; I307-C315 VanDerWaalsContact CD1-CB 3.49Å; I307-C315 WeakPolarHBondContact CD1-O 3.48Å
316	I	57.2	Low	56.1	Low	9 Å²	9	67.2 Å²	67.2	5%	0.046	37%	0.368	C	S	.	.			trans	-100.8	92.5	167.1	-53.9	172.3	0	0	0	105.9	P215 F229 F237 V239 S270	P215-I316 WeakPolarHBondContact CD-O 3.41Å; P215-I316 HydrophobicContact CG-CG2 4.36Å; F229-I316 HydrophobicContact CE1-CB 4.5Å; F229-I316 HydrophobicContact CE1-CD1 4.38Å; F229-I316 HydrophobicContact CZ-CB 4.26Å; F237-I316 HydrophobicContact CB-CG2 4.01Å; F237-I316 HydrophobicContact CD2-CD1 4.14Å; V239-I316 HydrophobicContact CB-CG2 4.5Å; V239-I316 HydrophobicContact CG1-CG2 3.24Å; S270-I316 WeakPolarHBondContact OG-CD1 3.31Å
317	H	69.9	Low	56.5	Low	19 Å²	19	67.8 Å²	67.8	9%	0.088	37%	0.366	C	S	.	.	S	Bend	trans	-160.7	159.9	-177.7	65.4	-104	0	0	0	112	I213 A214 M272 V273 S319	I213-H317 CarbonylContact O-C 3.58Å; I213-H317 WeakPolarHBondContact O-CA 3.3Å; I213-H317 WeakPolarHBondContact O-CB 3.09Å; A214-H317 HydrophobicContact CB-CB 3.48Å; A214-H317 VanDerWaalsContact CB-CB 3.48Å; M272-H317 WeakPolarHBondContact CE-CE1 3.39Å; M272-H317 WeakPolarHBondContact CE-NE2 3.32Å; V273-H317 PolarHBondContact N-O 2.82Å; H317-S319 PolarHBondContact CD2-OG 3.26Å; H317-S319 PolarHBondContact NE2-OG 3.07Å
318	L	69.6	Low	57	Low	3 Å²	3	69.1 Å²	69.1	2%	0.016	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	117.8	167.1	167.3	57.3	0	0	0	108.1	I75 H212 I213 V273 Y275	I75-L318 HydrophobicContact CD1-CD2 4.14Å; I75-L318 HydrophobicContact CG2-CD2 3.78Å; H212-L318 CarbonylContact C-O 3.46Å; H212-L318 WeakPolarHBondContact CA-O 3.33Å; H212-L318 WeakPolarHBondContact CB-O 3.37Å; I213-L318 HydrophobicContact CB-CB 4.31Å; I213-L318 HydrophobicContact CD1-CD2 4.09Å; I213-L318 PolarHBondContact N-O 3.1Å; I213-L318 PolarHBondContact O-N 2.92Å; V273-L318 HydrophobicContact CG1-CD1 4.43Å; V273-L318 CarbonylContact O-C 3.59Å; V273-L318 WeakPolarHBondContact O-CA 3.42Å; Y275-L318 HydrophobicContact CD2-CD1 3.33Å; Y275-L318 HydrophobicContact CE2-CD1 3.25Å
319	S	77.9	Confident	58.1	Low	1 Å²	1	61.1 Å²	61.1	1%	0.007	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.5	174.6	-93.6	0	0	0	0	110.6	H212 V273 I274 Y275 H317	H212-S319 WeakPolarHBondContact CB-OG 3.06Å; V273-S319 PolarHBondContact O-N 3.14Å; I274-S319 CarbonylContact C-O 3.45Å; I274-S319 WeakPolarHBondContact CA-O 3.33Å; Y275-S319 PolarHBondContact N-O 3.13Å; H317-S319 PolarHBondContact CD2-OG 3.26Å; H317-S319 PolarHBondContact NE2-OG 3.07Å
320	V	74.4	Confident	59.5	Low	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	112.5	171.1	-178.7	0	0	0	0	108.6	A210 F211 L246 Y275 L277	A210-V320 WeakPolarHBondContact CA-O 3.06Å; A210-V320 WeakPolarHBondContact CB-O 3.48Å; F211-V320 HydrophobicContact CD1-CB 4.03Å; F211-V320 HydrophobicContact CD1-CG1 4.49Å; F211-V320 HydrophobicContact CD2-CB 4.42Å; F211-V320 HydrophobicContact CD2-CG2 4.48Å; F211-V320 HydrophobicContact CE1-CB 3.52Å; F211-V320 HydrophobicContact CE1-CG1 3.73Å; F211-V320 HydrophobicContact CE1-CG2 4.01Å; F211-V320 HydrophobicContact CE2-CB 3.94Å; F211-V320 HydrophobicContact CE2-CG2 3.65Å; F211-V320 HydrophobicContact CG-CB 4.47Å; F211-V320 HydrophobicContact CZ-CB 3.46Å; F211-V320 VanDerWaalsContact CZ-CB 3.46Å; F211-V320 HydrophobicContact CZ-CG1 3.93Å; F211-V320 HydrophobicContact CZ-CG2 3.38Å; F211-V320 PolarHBondContact N-O 2.94Å; F211-V320 VanDerWaalsContact N-O 3.16Å; F211-V320 PolarHBondContact O-N 2.78Å; L246-V320 HydrophobicContact CD2-CG1 4.35Å; Y275-V320 WeakPolarHBondContact O-CA 3.41Å; L277-V320 HydrophobicContact CD1-CG1 3.44Å; L277-V320 VanDerWaalsContact CD1-CG1 3.44Å; L277-V320 HydrophobicContact CG-CG1 4.08Å
321	Y	78.6	Confident	60.9	Low	72 Å²	72	59.3 Å²	59.3	28%	0.282	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	133.7	175.5	-71.8	-91.7	0	0	0	110.3	A210 I274 Y275 Y276 L277	A210-Y321 HydrophobicContact CB-CD1 3.78Å; A210-Y321 HydrophobicContact CB-CE1 3.91Å; A210-Y321 HydrophobicContact CB-CG 4.22Å; I274-Y321 HydrophobicContact CG2-CD2 3.5Å; I274-Y321 VanDerWaalsContact CG2-CD2 3.5Å; I274-Y321 HydrophobicContact CG2-CE2 3.51Å; Y275-Y321 PolarHBondContact O-N 3.26Å; Y276-Y321 HydrophobicContact CD1-CD2 4.11Å; Y276-Y321 HydrophobicContact CD1-CG 4.1Å; Y276-Y321 AromaticContact CE1-CD2 3.76Å; Y276-Y321 HydrophobicContact CE1-CD2 3.76Å; Y276-Y321 HydrophobicContact CE1-CE2 4.35Å; Y276-Y321 AromaticContact CE1-CG 3.96Å; Y276-Y321 HydrophobicContact CE1-CG 3.96Å; L277-Y321 WeakPolarHBondContact CA-O 3.36Å; L277-Y321 PolarHBondContact N-O 3.16Å; L277-Y321 VanDerWaalsContact O-O 3.11Å
322	M	77.2	Confident	62.7	Low	11 Å²	11	49.7 Å²	49.7	5%	0.054	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.3	-178.9	-60.9	170.3	-72.9	0	0	109.4	I71 G208 G209 F211 F248 L277 L279	I71-M322 HydrophobicContact CD1-CE 3.89Å; I71-M322 HydrophobicContact CD1-SD 3.52Å; I71-M322 VanDerWaalsContact CD1-SD 3.52Å; G208-M322 VanDerWaalsContact CA-O 3.29Å; G208-M322 WeakPolarHBondContact CA-O 3.36Å; G209-M322 PolarHBondContact N-O 2.79Å; G209-M322 PolarHBondContact O-N 3.11Å; F211-M322 HydrophobicContact CD1-CE 4.12Å; F211-M322 HydrophobicContact CD1-SD 4.49Å; F248-M322 HydrophobicContact CD1-SD 3.99Å; F248-M322 HydrophobicContact CE1-CG 3.96Å; F248-M322 HydrophobicContact CE1-SD 3.39Å; F248-M322 WeakPolarHBondContact CE1-SD 3.2Å; F248-M322 HydrophobicContact CZ-CG 4.42Å; F248-M322 HydrophobicContact CZ-SD 4.33Å; L277-M322 WeakPolarHBondContact O-CA 3.25Å; L279-M322 HydrophobicContact CD1-CB 3.82Å; L279-M322 HydrophobicContact CD1-CG 3.94Å; L279-M322 HydrophobicContact CD1-SD 4.02Å; L279-M322 HydrophobicContact CG-CB 4.22Å; L279-M322 HydrophobicContact CG-CG 4.45Å
323	Y	72.9	Confident	64.7	Low	108 Å²	108	42.6 Å²	42.6	42%	0.424	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.3	173.4	-55.6	-88.5	0	0	0	109.3	Y276 L277 L279	Y276-Y323 HydrophobicContact CD1-CE2 4.06Å; L277-Y323 PolarHBondContact O-N 3.08Å; L279-Y323 PolarHBondContact N-O 3.22Å
324	T	67.2	Low	66.7	Low	50 Å²	50	39.2 Å²	39.2	31%	0.307	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.4	170.7	54.8	0	0	0	0	109.5	L279	L279-T324 WeakPolarHBondContact O-CA 3.07Å
325	T	63	Low	69.1	Low	127 Å²	127	40.6 Å²	40.6	78%	0.779	21%	0.211	S	C	*	.			trans	-108.3	0	165.4	48.3	0	0	0	0	112.1	L279 P281	L279-T325 PolarHBondContact O-N 2.03Å; P281-T325 WeakPolarHBondContact CD-O 3.41Å

Retrieved 325 of 325 residues in 308.6 ms (Link to these results)

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