A0A3Q0KN69_SCHMA Loading...

NAChR subunit (ShAR1-beta-like)

AlphaFold DB , UniProt , Accession A0A3Q0KN69, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 731 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	65.9	Low	81.4	Confident	218 Å²	218	137.5 Å²	137.5	100%	1.074	64%	0.635	S	S	*	*				0	-65.4	0	-69.7	-168.8	-108.7	0	0	113	K3 L4 Y5	M1-K3 PolarHBondContact O-N 3.17Å; M1-L4 WeakPolarHBondContact O-CB 3.36Å; M1-L4 PolarHBondContact O-N 2.89Å; M1-Y5 PolarHBondContact O-N 2.89Å
2	Y	76.6	Confident	81.5	Confident	205 Å²	205	135.4 Å²	135.4	80%	0.804	63%	0.631	S	S	*	*	H	α-helix	trans	-39.7	-47.5	-172.9	-105.5	-86.4	0	0	0	117.3	L4 Y5 N6	Y2-L4 VanDerWaalsContact C-N 3.32Å; Y2-L4 PolarHBondContact O-N 3.08Å; Y2-Y5 PolarHBondContact O-N 2.67Å; Y2-N6 PolarHBondContact O-N 3.14Å
3	K	80.4	Confident	81.6	Confident	184 Å²	184	130 Å²	130	80%	0.8	61%	0.609	S	S	*	*	H	α-helix	trans	-59.9	-36.5	177.9	-72.7	-169.5	175.8	-174.8	0	113.7	M1 I7	M1-K3 PolarHBondContact O-N 3.17Å; K3-I7 WeakPolarHBondContact O-CD1 3.2Å; K3-I7 WeakPolarHBondContact O-CG1 3.41Å; K3-I7 PolarHBondContact O-N 3.31Å
4	L	77.4	Confident	81.4	Confident	138 Å²	138	127.6 Å²	127.6	72%	0.723	60%	0.6	S	S	*	*	H	α-helix	trans	-68.8	-42.6	176.6	-122.6	83.4	0	0	0	111.3	M1 Y2 N6 I7 L8	M1-L4 WeakPolarHBondContact O-CB 3.36Å; M1-L4 PolarHBondContact O-N 2.89Å; Y2-L4 VanDerWaalsContact C-N 3.32Å; Y2-L4 PolarHBondContact O-N 3.08Å; L4-N6 VanDerWaalsContact C-N 3.33Å; L4-N6 PolarHBondContact O-N 3.13Å; L4-I7 PolarHBondContact O-N 3.35Å; L4-L8 PolarHBondContact O-N 2.82Å
5	Y	84.9	Confident	81	Confident	159 Å²	159	122.9 Å²	122.9	62%	0.624	59%	0.587	S	S	*	*	H	α-helix	trans	-60.3	-43.4	177.5	-176.4	-93.1	0	0	0	111.3	M1 Y2 I7 L8 Y9	M1-Y5 PolarHBondContact O-N 2.89Å; Y2-Y5 PolarHBondContact O-N 2.67Å; Y5-I7 PolarHBondContact O-N 2.77Å; Y5-L8 PolarHBondContact O-N 3.33Å; Y5-Y9 VanDerWaalsContact O-CB 3.32Å; Y5-Y9 WeakPolarHBondContact O-CB 3.35Å; Y5-Y9 PolarHBondContact O-N 2.98Å
6	N	82.8	Confident	80.6	Confident	86 Å²	86	126.1 Å²	126.1	46%	0.46	59%	0.592	S	S	.	*	H	α-helix	trans	-66.1	-38	179.1	-134	33.2	0	0	0	112.4	Y2 L4 Y9 H10	Y2-N6 PolarHBondContact O-N 3.14Å; L4-N6 VanDerWaalsContact C-N 3.33Å; L4-N6 PolarHBondContact O-N 3.13Å; N6-Y9 PolarHBondContact O-N 3.36Å; N6-H10 PolarHBondContact O-CD2 2.9Å; N6-H10 PolarHBondContact O-N 3.38Å
7	I	85.9	Confident	80	Confident	100 Å²	100	123.2 Å²	123.2	51%	0.513	58%	0.58	S	S	.	*	H	α-helix	trans	-65.7	-45.3	174.4	-68	165.5	0	0	0	110.6	K3 L4 Y5 Y9 H10 I11	K3-I7 WeakPolarHBondContact O-CD1 3.2Å; K3-I7 WeakPolarHBondContact O-CG1 3.41Å; K3-I7 PolarHBondContact O-N 3.31Å; L4-I7 PolarHBondContact O-N 3.35Å; Y5-I7 PolarHBondContact O-N 2.77Å; I7-Y9 VanDerWaalsContact C-N 3.33Å; I7-Y9 PolarHBondContact O-N 2.99Å; I7-H10 PolarHBondContact O-N 3.49Å; I7-I11 HydrophobicContact CG2-CD1 3.86Å; I7-I11 WeakPolarHBondContact O-CG1 3.39Å; I7-I11 PolarHBondContact O-N 2.6Å
8	L	83.8	Confident	79.2	Confident	107 Å²	107	121.3 Å²	121.3	56%	0.56	58%	0.575	S	S	*	*	H	α-helix	trans	-62.7	-41.1	177.5	-158.4	81.6	0	0	0	111.5	L4 Y5 I11 L12	L4-L8 PolarHBondContact O-N 2.82Å; Y5-L8 PolarHBondContact O-N 3.33Å; L8-I11 PolarHBondContact O-N 2.88Å; L8-L12 HydrophobicContact CG-CD1 4.4Å; L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 WeakPolarHBondContact O-CG 3.32Å; L8-L12 PolarHBondContact O-N 3.43Å
9	Y	87.5	Confident	78.3	Confident	119 Å²	119	123.2 Å²	123.2	47%	0.467	58%	0.58	S	S	.	*	H	α-helix	trans	-60.4	-45.6	174	-179.7	-99.4	0	0	0	111.7	Y5 N6 I7 L12 L13	Y5-Y9 VanDerWaalsContact O-CB 3.32Å; Y5-Y9 WeakPolarHBondContact O-CB 3.35Å; Y5-Y9 PolarHBondContact O-N 2.98Å; N6-Y9 PolarHBondContact O-N 3.36Å; I7-Y9 VanDerWaalsContact C-N 3.33Å; I7-Y9 PolarHBondContact O-N 2.99Å; Y9-L12 PolarHBondContact O-N 3.34Å; Y9-L13 HydrophobicContact CE1-CD1 4.39Å; Y9-L13 VanDerWaalsContact O-CB 3.29Å; Y9-L13 WeakPolarHBondContact O-CB 3.33Å; Y9-L13 PolarHBondContact O-N 3.13Å
10	H	85.3	Confident	77.6	Confident	96 Å²	96	120.8 Å²	120.8	44%	0.444	57%	0.574	S	S	.	*	H	α-helix	trans	-64.8	-38.6	175.7	-76.4	-60.2	0	0	0	113.2	N6 I7 L13 I14	N6-H10 PolarHBondContact O-CD2 2.9Å; N6-H10 PolarHBondContact O-N 3.38Å; I7-H10 PolarHBondContact O-N 3.49Å; H10-L13 PolarHBondContact O-N 3.37Å; H10-I14 WeakPolarHBondContact O-CB 3.29Å; H10-I14 WeakPolarHBondContact O-CD1 3.2Å; H10-I14 VanDerWaalsContact O-CG1 3.24Å; H10-I14 WeakPolarHBondContact O-CG1 3.2Å; H10-I14 PolarHBondContact O-N 2.97Å
11	I	84.6	Confident	76.7	Confident	100 Å²	100	119.8 Å²	119.8	51%	0.513	58%	0.575	S	S	.	*	H	α-helix	trans	-65.3	-43.2	176	-68.4	167	0	0	0	110.9	I7 L8 I14 S15	I7-I11 HydrophobicContact CG2-CD1 3.86Å; I7-I11 WeakPolarHBondContact O-CG1 3.39Å; I7-I11 PolarHBondContact O-N 2.6Å; L8-I11 PolarHBondContact O-N 2.88Å; I11-I14 PolarHBondContact O-N 3.32Å; I11-S15 WeakPolarHBondContact O-CB 3.42Å; I11-S15 PolarHBondContact O-N 2.76Å
12	L	83.1	Confident	76.4	Confident	113 Å²	113	114.8 Å²	114.8	59%	0.592	55%	0.552	S	S	*	*	H	α-helix	trans	-64	-40.5	174.2	-72.4	168.2	0	0	0	111.7	L8 Y9 S15 W16	L8-L12 HydrophobicContact CG-CD1 4.4Å; L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 WeakPolarHBondContact O-CG 3.32Å; L8-L12 PolarHBondContact O-N 3.43Å; Y9-L12 PolarHBondContact O-N 3.34Å; L12-S15 PolarHBondContact O-N 2.74Å; L12-W16 VanDerWaalsContact O-CB 3.28Å; L12-W16 WeakPolarHBondContact O-CB 3.25Å; L12-W16 PolarHBondContact O-N 2.78Å
13	L	82	Confident	75.3	Confident	65 Å²	65	109.4 Å²	109.4	34%	0.34	55%	0.545	S	S	.	.	H	α-helix	trans	-64.2	-43.5	176.8	-162.9	90.5	0	0	0	111.5	Y9 H10 W16 I17	Y9-L13 HydrophobicContact CE1-CD1 4.39Å; Y9-L13 VanDerWaalsContact O-CB 3.29Å; Y9-L13 WeakPolarHBondContact O-CB 3.33Å; Y9-L13 PolarHBondContact O-N 3.13Å; H10-L13 PolarHBondContact O-N 3.37Å; L13-W16 PolarHBondContact O-N 3.42Å; L13-I17 HydrophobicContact CD2-CD1 4.03Å; L13-I17 HydrophobicContact CG-CD1 4.03Å; L13-I17 WeakPolarHBondContact O-CB 3.15Å; L13-I17 WeakPolarHBondContact O-CD1 3.18Å; L13-I17 WeakPolarHBondContact O-CG1 3.36Å; L13-I17 PolarHBondContact O-N 3.22Å
14	I	79.6	Confident	74.7	Confident	96 Å²	96	103.3 Å²	103.3	49%	0.492	53%	0.534	S	S	.	.	H	α-helix	trans	-63.3	-49.8	176.2	-69.5	163.1	0	0	0	110	H10 I11 W16 I17 D18	H10-I14 WeakPolarHBondContact O-CB 3.29Å; H10-I14 WeakPolarHBondContact O-CD1 3.2Å; H10-I14 VanDerWaalsContact O-CG1 3.24Å; H10-I14 WeakPolarHBondContact O-CG1 3.2Å; H10-I14 PolarHBondContact O-N 2.97Å; I11-I14 PolarHBondContact O-N 3.32Å; I14-W16 PolarHBondContact O-N 3.29Å; I14-I17 CarbonylContact O-C 3.58Å; I14-I17 WeakPolarHBondContact O-CA 3.46Å; I14-I17 WeakPolarHBondContact O-CB 3.22Å; I14-I17 PolarHBondContact O-N 3.21Å; I14-D18 PolarHBondContact O-N 2.8Å
15	S	75.8	Confident	74.8	Confident	58 Å²	58	102.6 Å²	102.6	41%	0.406	53%	0.527	S	S	.	.	H	α-helix	trans	-62.2	-27.3	177.5	-172.2	0	0	0	0	113.4	I11 L12 K19	I11-S15 WeakPolarHBondContact O-CB 3.42Å; I11-S15 PolarHBondContact O-N 2.76Å; L12-S15 PolarHBondContact O-N 2.74Å; S15-K19 WeakPolarHBondContact O-CG 3.42Å; S15-K19 PolarHBondContact O-N 2.67Å
16	W	74.3	Confident	74.9	Confident	173 Å²	173	95.3 Å²	95.3	66%	0.655	50%	0.499	S	S	*	.	H	α-helix	trans	-76.6	-42.1	172.2	-164.9	83	0	0	0	111.8	L12 L13 I14 K19 V20	L12-W16 VanDerWaalsContact O-CB 3.28Å; L12-W16 WeakPolarHBondContact O-CB 3.25Å; L12-W16 PolarHBondContact O-N 2.78Å; L13-W16 PolarHBondContact O-N 3.42Å; I14-W16 PolarHBondContact O-N 3.29Å; W16-K19 PolarHBondContact O-N 2.91Å; W16-V20 HydrophobicContact CD2-CG2 4.09Å; W16-V20 HydrophobicContact CE3-CG2 3.97Å; W16-V20 HydrophobicContact CH2-CG2 4.09Å; W16-V20 HydrophobicContact CZ2-CG2 4.19Å; W16-V20 HydrophobicContact CZ3-CG2 3.97Å; W16-V20 WeakPolarHBondContact O-CG2 3.32Å; W16-V20 PolarHBondContact O-N 3.31Å
17	I	70.5	Confident	75.3	Confident	78 Å²	78	95.6 Å²	95.6	40%	0.4	50%	0.498	S	S	.	.	H	α-helix	trans	-59.8	-45.9	173.7	-72.7	163.1	0	0	0	110.6	L13 I14 K19 V20 V21	L13-I17 HydrophobicContact CD2-CD1 4.03Å; L13-I17 HydrophobicContact CG-CD1 4.03Å; L13-I17 WeakPolarHBondContact O-CB 3.15Å; L13-I17 WeakPolarHBondContact O-CD1 3.18Å; L13-I17 WeakPolarHBondContact O-CG1 3.36Å; L13-I17 PolarHBondContact O-N 3.22Å; I14-I17 CarbonylContact O-C 3.58Å; I14-I17 WeakPolarHBondContact O-CA 3.46Å; I14-I17 WeakPolarHBondContact O-CB 3.22Å; I14-I17 PolarHBondContact O-N 3.21Å; I17-K19 VanDerWaalsContact C-N 3.29Å; I17-K19 PolarHBondContact O-N 3Å; I17-V20 CarbonylContact O-C 3.59Å; I17-V20 PolarHBondContact O-N 2.92Å; I17-V21 HydrophobicContact CG2-CG2 4.05Å; I17-V21 WeakPolarHBondContact O-CB 3.19Å; I17-V21 VanDerWaalsContact O-CG2 3.3Å; I17-V21 WeakPolarHBondContact O-CG2 2.98Å; I17-V21 PolarHBondContact O-N 3.15Å
18	D	65.3	Low	75.5	Confident	89 Å²	89	98.3 Å²	98.3	48%	0.476	51%	0.506	S	S	.	.	H	α-helix	trans	-57.2	-43.5	177.7	-65.8	-33.1	0	0	0	111.2	I14 V20 V21 L22	I14-D18 PolarHBondContact O-N 2.8Å; D18-V20 PolarHBondContact O-N 2.92Å; D18-V21 PolarHBondContact O-N 3.18Å; D18-L22 WeakPolarHBondContact O-CD1 3.09Å; D18-L22 PolarHBondContact O-N 3.12Å
19	K	62.9	Low	75.8	Confident	157 Å²	157	98.8 Å²	98.8	68%	0.683	50%	0.5	S	S	*	.	H	α-helix	trans	-67.1	-32.7	175.8	-72.1	-178.2	179.7	-175.3	0	113.6	S15 W16 I17	S15-K19 WeakPolarHBondContact O-CG 3.42Å; S15-K19 PolarHBondContact O-N 2.67Å; W16-K19 PolarHBondContact O-N 2.91Å; I17-K19 VanDerWaalsContact C-N 3.29Å; I17-K19 PolarHBondContact O-N 3Å
20	V	62.8	Low	76.1	Confident	75 Å²	75	93.1 Å²	93.1	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-78	-28.2	176	170.2	0	0	0	0	111.9	W16 I17 D18 S23	W16-V20 HydrophobicContact CD2-CG2 4.09Å; W16-V20 HydrophobicContact CE3-CG2 3.97Å; W16-V20 HydrophobicContact CH2-CG2 4.09Å; W16-V20 HydrophobicContact CZ2-CG2 4.19Å; W16-V20 HydrophobicContact CZ3-CG2 3.97Å; W16-V20 WeakPolarHBondContact O-CG2 3.32Å; W16-V20 PolarHBondContact O-N 3.31Å; I17-V20 CarbonylContact O-C 3.59Å; I17-V20 PolarHBondContact O-N 2.92Å; D18-V20 PolarHBondContact O-N 2.92Å; V20-S23 PolarHBondContact O-OG 3.23Å; V20-S23 VanDerWaalsContact O-OG 3.06Å
21	V	60	Low	76.4	Confident	99 Å²	99	91.1 Å²	91.1	60%	0.6	47%	0.47	S	S	*	.	H	α-helix	trans	-77.7	-34.9	176.1	169.7	0	0	0	0	111.7	I17 D18 S23	I17-V21 HydrophobicContact CG2-CG2 4.05Å; I17-V21 WeakPolarHBondContact O-CB 3.19Å; I17-V21 VanDerWaalsContact O-CG2 3.3Å; I17-V21 WeakPolarHBondContact O-CG2 2.98Å; I17-V21 PolarHBondContact O-N 3.15Å; D18-V21 PolarHBondContact O-N 3.18Å; V21-S23 VanDerWaalsContact C-N 3.31Å; V21-S23 PolarHBondContact O-N 2.88Å
22	L	58.5	Low	76.7	Confident	113 Å²	113	93.8 Å²	93.8	59%	0.592	48%	0.478	S	S	*	.	S	Bend	trans	-72	-16.7	176.7	-98.4	69.9	0	0	0	114.2	D18 G24	D18-L22 WeakPolarHBondContact O-CD1 3.09Å; D18-L22 PolarHBondContact O-N 3.12Å; L22-G24 PolarHBondContact O-N 2.77Å
23	S	54.7	Low	77.2	Confident	92 Å²	92	93 Å²	93	64%	0.643	47%	0.468	S	S	*	.	S	Bend	trans	-74.4	94.5	-174.9	63.9	0	0	0	0	113.1	V20 V21	V20-S23 PolarHBondContact O-OG 3.23Å; V20-S23 VanDerWaalsContact O-OG 3.06Å; V21-S23 VanDerWaalsContact C-N 3.31Å; V21-S23 PolarHBondContact O-N 2.88Å
24	G	67.8	Low	77.7	Confident	56 Å²	56	90 Å²	90	58%	0.577	45%	0.452	S	S	*	.	S	Bend	trans	96	7	159.6	0	0	0	0	0	117.4	L22	L22-G24 PolarHBondContact O-N 2.77Å
25	H	80	Confident	78.3	Confident	123 Å²	123	88 Å²	88	57%	0.569	44%	0.44	S	S	*	.	H	α-helix	trans	-70.6	-34.9	-179.3	-160.2	100.7	0	0	0	113.3	K28 R29	H25-K28 PolarHBondContact O-N 3.46Å; H25-R29 PolarHBondContact O-N 3.16Å
26	S	86.8	Confident	79.1	Confident	7 Å²	7	88.2 Å²	88.2	5%	0.049	44%	0.437	C	S	.	.	H	α-helix	trans	-72.7	-40.1	-170.3	-62.9	0	0	0	0	114.2	K28 R29 L30 E101	S26-K28 VanDerWaalsContact C-N 3.33Å; S26-K28 PolarHBondContact O-N 2.96Å; S26-R29 WeakPolarHBondContact O-CB 3.49Å; S26-R29 PolarHBondContact O-N 3.31Å; S26-L30 WeakPolarHBondContact O-CB 3.23Å; S26-L30 PolarHBondContact O-N 2.91Å; S26-E101 WeakPolarHBondContact CB-OE2 3.41Å; S26-E101 PolarHBondContact OG-OE2 3.39Å
27	E	89.5	Confident	79.8	Confident	92 Å²	92	86.4 Å²	86.4	43%	0.43	44%	0.435	S	S	.	.	H	α-helix	trans	-64.3	-40.7	172.8	-168.6	-176.7	176.2	0	0	110.6	R29 L30 L31 I103 I106	E27-R29 VanDerWaalsContact C-N 3.29Å; E27-R29 PolarHBondContact O-N 3.44Å; E27-L30 PolarHBondContact O-N 3.33Å; E27-L31 HydrophobicContact CG-CD1 4.08Å; E27-L31 HydrophobicContact CG-CG 4.36Å; E27-L31 WeakPolarHBondContact O-CB 3.46Å; E27-L31 VanDerWaalsContact O-CG 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.38Å; E27-L31 PolarHBondContact O-N 3.35Å; E27-I103 HydrophobicContact CB-CD1 3.89Å; E27-I106 HydrophobicContact CG-CG2 4.37Å
28	K	90	Very high	80.7	Confident	156 Å²	156	91.5 Å²	91.5	68%	0.678	46%	0.455	S	S	*	.	H	α-helix	trans	-61.9	-35.3	174.1	-174.1	175.9	-179.2	176.2	0	112.5	H25 S26 K32	H25-K28 PolarHBondContact O-N 3.46Å; S26-K28 VanDerWaalsContact C-N 3.33Å; S26-K28 PolarHBondContact O-N 2.96Å; K28-K32 WeakPolarHBondContact O-CB 2.92Å; K28-K32 PolarHBondContact O-N 3.36Å; K28-K32 VanDerWaalsContact O-N 3.15Å
29	R	91.3	Very high	81.8	Confident	118 Å²	118	89.1 Å²	89.1	45%	0.445	44%	0.439	S	S	.	.	H	α-helix	trans	-68.8	-44.3	173.6	-169.5	175.2	71.6	-151	4.4	111.5	H25 S26 E27 K32 Y33 D99 Y100	H25-R29 PolarHBondContact O-N 3.16Å; S26-R29 WeakPolarHBondContact O-CB 3.49Å; S26-R29 PolarHBondContact O-N 3.31Å; E27-R29 VanDerWaalsContact C-N 3.29Å; E27-R29 PolarHBondContact O-N 3.44Å; R29-K32 PolarHBondContact O-N 3.32Å; R29-Y33 PolarHBondContact O-N 3.13Å; R29-D99 PolarHBondContact NH2-O 3.48Å; R29-Y100 HydrophobicContact CB-CE1 4.35Å; R29-Y100 HydrophobicContact CG-CE1 4.07Å
30	L	92.8	Very high	82.8	Confident	0 Å²	0	92.6 Å²	92.6	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-61.4	-50.7	177	177.6	59.8	0	0	0	111.6	S26 E27 K32 Y33 L34 W95 Y100 I103 I106	S26-L30 WeakPolarHBondContact O-CB 3.23Å; S26-L30 PolarHBondContact O-N 2.91Å; E27-L30 PolarHBondContact O-N 3.33Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 2.57Å; L30-Y33 WeakPolarHBondContact O-CB 3.45Å; L30-Y33 PolarHBondContact O-N 2.89Å; L30-L34 HydrophobicContact CD1-CD1 3.83Å; L30-L34 HydrophobicContact CD1-CD2 4.4Å; L30-L34 HydrophobicContact CD1-CG 3.92Å; L30-L34 HydrophobicContact CG-CD1 3.83Å; L30-L34 HydrophobicContact CG-CG 4.33Å; L30-L34 WeakPolarHBondContact O-CG 3.46Å; L30-L34 PolarHBondContact O-N 2.91Å; L30-W95 HydrophobicContact CD1-CB 3.97Å; L30-W95 HydrophobicContact CD1-CD2 3.84Å; L30-W95 HydrophobicContact CD1-CE3 4.44Å; L30-W95 HydrophobicContact CD1-CG 3.59Å; L30-W95 HydrophobicContact CD2-CD2 4.08Å; L30-W95 HydrophobicContact CD2-CG 4.4Å; L30-W95 HydrophobicContact CD2-CZ2 3.94Å; L30-Y100 HydrophobicContact CB-CD1 3.61Å; L30-Y100 HydrophobicContact CB-CE1 3.87Å; L30-Y100 HydrophobicContact CB-CG 4.09Å; L30-Y100 HydrophobicContact CD1-CD1 4.21Å; L30-Y100 HydrophobicContact CD1-CD2 3.96Å; L30-Y100 HydrophobicContact CD1-CE1 4.15Å; L30-Y100 HydrophobicContact CD1-CE2 3.91Å; L30-Y100 HydrophobicContact CD1-CG 4.1Å; L30-Y100 HydrophobicContact CG-CD1 4.44Å; L30-I103 HydrophobicContact CD2-CB 4.39Å; L30-I103 HydrophobicContact CD2-CG2 3.75Å; L30-I106 HydrophobicContact CD2-CG2 3.79Å
31	L	92.6	Very high	83.9	Confident	53 Å²	53	89.6 Å²	89.6	28%	0.277	43%	0.43	S	S	.	.	H	α-helix	trans	-60	-37.3	177.1	-69.8	170.8	0	0	0	112	E27 Y33 F35 I106 L108	E27-L31 HydrophobicContact CG-CD1 4.08Å; E27-L31 HydrophobicContact CG-CG 4.36Å; E27-L31 WeakPolarHBondContact O-CB 3.46Å; E27-L31 VanDerWaalsContact O-CG 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.38Å; E27-L31 PolarHBondContact O-N 3.35Å; L31-Y33 VanDerWaalsContact C-N 3.34Å; L31-F35 HydrophobicContact CD2-CE2 4.37Å; L31-F35 WeakPolarHBondContact O-CD2 3.37Å; L31-F35 PolarHBondContact O-N 3.49Å; L31-I106 HydrophobicContact CD2-CD1 4.13Å; L31-L108 HydrophobicContact CD2-CD2 3.52Å
32	K	91.5	Very high	85.3	Confident	156 Å²	156	86.1 Å²	86.1	68%	0.678	41%	0.411	S	S	*	.	H	α-helix	trans	-64.9	-37.7	173.8	-172.7	-175	174.3	-168.8	0	112.1	K28 R29 L30 D36	K28-K32 WeakPolarHBondContact O-CB 2.92Å; K28-K32 PolarHBondContact O-N 3.36Å; K28-K32 VanDerWaalsContact O-N 3.15Å; R29-K32 PolarHBondContact O-N 3.32Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 2.57Å; K32-D36 PolarHBondContact O-N 2.86Å
33	Y	91.7	Very high	86.9	Confident	96 Å²	96	80.9 Å²	80.9	38%	0.376	38%	0.384	S	S	.	.	H	α-helix	trans	-72.7	-44.9	179.3	168.1	-109.3	0	0	0	112.8	R29 L30 L31 F35 D36 Y100	R29-Y33 PolarHBondContact O-N 3.13Å; L30-Y33 WeakPolarHBondContact O-CB 3.45Å; L30-Y33 PolarHBondContact O-N 2.89Å; L31-Y33 VanDerWaalsContact C-N 3.34Å; Y33-F35 VanDerWaalsContact C-N 3.28Å; Y33-F35 PolarHBondContact O-N 3.31Å; Y33-D36 PolarHBondContact O-N 3.4Å; Y33-Y100 VanDerWaalsContact CD1-OH 3.24Å; Y33-Y100 WeakPolarHBondContact CD1-OH 3.24Å
34	L	92.5	Very high	88.6	Confident	3 Å²	3	79.7 Å²	79.7	2%	0.016	37%	0.37	C	S	.	.	H	α-helix	trans	-64.5	-31	-179.3	-68	172.7	0	0	0	113	L30 F93 W95 I106	L30-L34 HydrophobicContact CD1-CD1 3.83Å; L30-L34 HydrophobicContact CD1-CD2 4.4Å; L30-L34 HydrophobicContact CD1-CG 3.92Å; L30-L34 HydrophobicContact CG-CD1 3.83Å; L30-L34 HydrophobicContact CG-CG 4.33Å; L30-L34 WeakPolarHBondContact O-CG 3.46Å; L30-L34 PolarHBondContact O-N 2.91Å; L34-F93 HydrophobicContact CB-CD1 4.49Å; L34-F93 HydrophobicContact CB-CE1 4.42Å; L34-F93 HydrophobicContact CD1-CD1 4.26Å; L34-F93 HydrophobicContact CD2-CD1 4.3Å; L34-W95 HydrophobicContact CD1-CE3 4.05Å; L34-W95 HydrophobicContact CD1-CZ3 4.2Å; L34-W95 HydrophobicContact CD2-CE3 4.13Å; L34-I106 HydrophobicContact CD1-CD1 3.41Å; L34-I106 VanDerWaalsContact CD1-CD1 3.41Å
35	F	92.8	Very high	89.7	Confident	55 Å²	55	79.6 Å²	79.6	24%	0.241	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	14.2	177.5	-66.6	-69.6	0	0	0	114	L31 Y33 Q37 F93 L108 R112	L31-F35 HydrophobicContact CD2-CE2 4.37Å; L31-F35 WeakPolarHBondContact O-CD2 3.37Å; L31-F35 PolarHBondContact O-N 3.49Å; Y33-F35 VanDerWaalsContact C-N 3.28Å; Y33-F35 PolarHBondContact O-N 3.31Å; F35-Q37 PolarHBondContact O-N 2.84Å; F35-F93 HydrophobicContact CE1-CE1 4.43Å; F35-F93 HydrophobicContact CE1-CZ 4.32Å; F35-F93 HydrophobicContact CZ-CE1 4.26Å; F35-F93 HydrophobicContact CZ-CZ 4.43Å; F35-L108 HydrophobicContact CE2-CD1 4.4Å; F35-L108 HydrophobicContact CE2-CD2 3.96Å; F35-L108 HydrophobicContact CZ-CD1 4.05Å; F35-L108 HydrophobicContact CZ-CD2 4.26Å; F35-R112 HydrophobicContact CE1-CB 4.31Å; F35-R112 WeakPolarHBondContact CE1-O 3.34Å; F35-R112 HydrophobicContact CZ-CB 4.23Å
36	D	92.4	Very high	90.2	Very high	61 Å²	61	81.9 Å²	81.9	33%	0.326	37%	0.372	S	S	.	.			trans	-76.1	110.9	174.9	-160.9	-24.8	0	0	0	110.5	K32 Y33 K38 R39	K32-D36 PolarHBondContact O-N 2.86Å; Y33-D36 PolarHBondContact O-N 3.4Å; D36-K38 PolarHBondContact O-N 3.4Å; D36-K38 WeakPolarHBondContact OD1-CB 3.36Å; D36-K38 WeakPolarHBondContact OD1-CG 3.47Å; D36-K38 PolarHBondContact OD1-N 3.37Å; D36-R39 VanDerWaalsContact O-CB 3.3Å; D36-R39 WeakPolarHBondContact O-CB 3.3Å; D36-R39 PolarHBondContact O-N 2.92Å
37	Q	89.2	Confident	90.4	Very high	135 Å²	135	85.6 Å²	85.6	63%	0.631	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	3	177.8	-63.3	-70.2	-64.2	0	0	113.8	F35 H43	F35-Q37 PolarHBondContact O-N 2.84Å; Q37-H43 PolarHBondContact NE2-O 2.97Å; Q37-H43 VanDerWaalsContact NE2-O 3.09Å
38	K	89.2	Confident	90.6	Very high	186 Å²	186	83.5 Å²	83.5	81%	0.809	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-6	169.7	-61.2	175.5	-179.6	-178.1	0	113.9	D36	D36-K38 PolarHBondContact O-N 3.4Å; D36-K38 WeakPolarHBondContact OD1-CB 3.36Å; D36-K38 WeakPolarHBondContact OD1-CG 3.47Å; D36-K38 PolarHBondContact OD1-N 3.37Å
39	R	88.6	Confident	90.8	Very high	39 Å²	39	76.5 Å²	76.5	15%	0.147	35%	0.348	C	S	.	.	S	Bend	trans	-68.3	149.6	173.8	-163.1	179.9	165	172.8	-11.7	109.2	D36 D41 A42 H92	D36-R39 VanDerWaalsContact O-CB 3.3Å; D36-R39 WeakPolarHBondContact O-CB 3.3Å; D36-R39 PolarHBondContact O-N 2.92Å; R39-D41 WeakPolarHBondContact CD-OD1 3.16Å; R39-D41 WeakPolarHBondContact CG-OD1 3.42Å; R39-D41 IonicContact CZ-OD1 2.69Å; R39-D41 IonicContact CZ-OD2 3.61Å; R39-D41 VanDerWaalsContact CZ-OD2 3.25Å; R39-D41 IonicContact NE-OD1 3.78Å; R39-D41 PolarHBondContact NE-OD1 3.45Å; R39-D41 IonicContact NE-OD2 2.75Å; R39-D41 PolarHBondContact NE-OD2 3.02Å; R39-D41 IonicContact NH2-OD1 2.7Å; R39-D41 IonicContact NH2-OD2 3.67Å; R39-D41 PolarHBondContact NH2-OD2 2.94Å; R39-A42 HydrophobicContact CB-CB 4.5Å; R39-A42 WeakPolarHBondContact O-CB 3.27Å; R39-A42 PolarHBondContact O-N 3.09Å; R39-H92 PolarHBondContact NH1-O 3.42Å
40	W	84.7	Confident	90.9	Very high	230 Å²	230	71.8 Å²	71.8	87%	0.871	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-36.5	-179.8	61.8	-90.5	0	0	0	111.3
41	D	86.3	Confident	90.6	Very high	12 Å²	12	76.4 Å²	76.4	6%	0.064	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	64.3	162.3	53.4	-28.5	0	0	0	109.6	R39 Y91	R39-D41 WeakPolarHBondContact CD-OD1 3.16Å; R39-D41 WeakPolarHBondContact CG-OD1 3.42Å; R39-D41 IonicContact CZ-OD1 2.69Å; R39-D41 IonicContact CZ-OD2 3.61Å; R39-D41 VanDerWaalsContact CZ-OD2 3.25Å; R39-D41 IonicContact NE-OD1 3.78Å; R39-D41 PolarHBondContact NE-OD1 3.45Å; R39-D41 IonicContact NE-OD2 2.75Å; R39-D41 PolarHBondContact NE-OD2 3.02Å; R39-D41 IonicContact NH2-OD1 2.7Å; R39-D41 IonicContact NH2-OD2 3.67Å; R39-D41 PolarHBondContact NH2-OD2 2.94Å; D41-Y91 HydrophobicContact CB-CD2 4.41Å; D41-Y91 HydrophobicContact CB-CE2 4.07Å
42	A	88.4	Confident	90.6	Very high	26 Å²	26	77.3 Å²	77.3	22%	0.215	37%	0.371	C	S	.	.			trans	-74.6	120.8	172.6	0	0	0	0	0	110.7	R39 N44	R39-A42 HydrophobicContact CB-CB 4.5Å; R39-A42 WeakPolarHBondContact O-CB 3.27Å; R39-A42 PolarHBondContact O-N 3.09Å; A42-N44 PolarHBondContact O-N 2.79Å
43	H	91.2	Very high	90.3	Very high	3 Å²	3	76.4 Å²	76.4	1%	0.014	37%	0.374	C	S	.	.			trans	-65	135.2	-178.1	-175.3	72.3	0	0	0	113	Q37 D90 H92 F93 I113 W114	Q37-H43 PolarHBondContact NE2-O 2.97Å; Q37-H43 VanDerWaalsContact NE2-O 3.09Å; H43-D90 IonicContact CE1-OD2 2.71Å; H43-D90 PolarHBondContact CE1-OD2 2.85Å; H43-D90 IonicContact ND1-OD2 3.25Å; H43-H92 HydrophobicContact CB-CB 3.95Å; H43-H92 AromaticContact ND1-CG 3.68Å; H43-H92 AromaticContact ND1-ND1 3.55Å; H43-F93 HydrophobicContact CB-CZ 4.27Å; H43-F93 AromaticContact CD2-CZ 3.9Å; H43-F93 AromaticContact CE1-CE2 3.72Å; H43-F93 AromaticContact CG-CE2 3.83Å; H43-F93 AromaticContact CG-CZ 3.73Å; H43-F93 AromaticContact ND1-CE2 3.53Å; H43-F93 AromaticContact ND1-CZ 3.95Å; H43-I113 WeakPolarHBondContact NE2-CA 3.21Å; H43-W114 PolarHBondContact NE2-N 3.39Å
44	N	91.8	Very high	90.2	Very high	66 Å²	66	75.6 Å²	75.6	35%	0.353	40%	0.395	S	S	.	.			trans	-125.8	115	174.4	174.9	10.2	0	0	0	109.9	A42 M46 E47	A42-N44 PolarHBondContact O-N 2.79Å; N44-M46 PolarHBondContact O-N 3.04Å; N44-M46 PolarHBondContact OD1-N 3.41Å; N44-E47 HydrophobicContact CB-CB 3.98Å; N44-E47 PolarHBondContact ND2-OE2 3.4Å; N44-E47 WeakPolarHBondContact O-CB 3.5Å; N44-E47 PolarHBondContact O-N 3.34Å
45	P	91.2	Very high	90.2	Very high	55 Å²	55	81.6 Å²	81.6	36%	0.357	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.2	-176.7	-26	36	0	0	0	115.7	W114	P45-W114 WeakPolarHBondContact O-CA 3.42Å
46	M	90.3	Very high	90.2	Very high	171 Å²	171	80.4 Å²	80.4	84%	0.842	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.6	175.8	-70	-175.5	157.6	0	0	113.5	N44	N44-M46 PolarHBondContact O-N 3.04Å; N44-M46 PolarHBondContact OD1-N 3.41Å
47	E	91.3	Very high	90.3	Very high	85 Å²	85	77.8 Å²	77.8	40%	0.397	41%	0.408	S	S	.	.	S	Bend	trans	-101	133.2	-171.6	-167	166.4	161.6	0	0	111.3	N44 W114	N44-E47 HydrophobicContact CB-CB 3.98Å; N44-E47 PolarHBondContact ND2-OE2 3.4Å; N44-E47 WeakPolarHBondContact O-CB 3.5Å; N44-E47 PolarHBondContact O-N 3.34Å; E47-W114 WeakPolarHBondContact O-CB 3.21Å; E47-W114 VanDerWaalsContact O-CG 3.28Å
48	R	93.5	Very high	90.5	Very high	48 Å²	48	76 Å²	76	18%	0.181	40%	0.399	C	S	.	.			trans	-65.9	129.6	173.9	-69.1	-172.2	-57.4	122.3	10	108.6	V50 D53 K55 V57 W114 Y179 T183	R48-V50 PolarHBondContact O-N 2.75Å; R48-D53 PolarHBondContact NH2-O 3.25Å; R48-K55 PolarHBondContact NH1-O 3.46Å; R48-V57 HydrophobicContact CB-CG2 3.94Å; R48-V57 HydrophobicContact CG-CG2 4.42Å; R48-W114 HydrophobicContact CG-CZ2 4.36Å; R48-Y179 HydrophobicContact CG-CE1 3.81Å; R48-T183 PolarHBondContact NH1-O 2.98Å
49	P	94	Very high	90.8	Very high	9 Å²	9	67.1 Å²	67.1	6%	0.058	36%	0.361	C	S	.	.			trans	-78.8	66.2	-175.5	32.8	-38.3	0	0	0	112.8	V57 D90 W114	P49-V57 HydrophobicContact CG-CG1 4.5Å; P49-V57 HydrophobicContact CG-CG2 4.4Å; P49-D90 HydrophobicContact CB-CB 3.74Å; P49-D90 VanDerWaalsContact CB-OD1 3.29Å; P49-D90 WeakPolarHBondContact CB-OD1 3.23Å; P49-D90 HydrophobicContact CG-CB 4.18Å; P49-W114 HydrophobicContact CG-CD2 4.17Å; P49-W114 HydrophobicContact CG-CE3 3.68Å; P49-W114 HydrophobicContact CG-CZ3 4.16Å
50	V	92.6	Very high	91	Very high	19 Å²	19	68.6 Å²	68.6	12%	0.115	37%	0.368	C	S	.	.			trans	-114.9	130	176.3	-62	0	0	0	0	111	R48 V52 V57 Y91	R48-V50 PolarHBondContact O-N 2.75Å; V50-V52 PolarHBondContact O-N 2.95Å; V50-V57 HydrophobicContact CG1-CB 4.46Å; V50-V57 HydrophobicContact CG1-CG2 3.53Å; V50-Y91 VanDerWaalsContact C-CE1 3.43Å; V50-Y91 WeakPolarHBondContact O-CE1 3.45Å
51	S	88	Confident	91.4	Very high	96 Å²	96	57.8 Å²	57.8	67%	0.671	33%	0.327	S	S	*	.	S	Bend	trans	-77.5	-0.2	175.6	56.8	0	0	0	0	114
52	V	91.1	Very high	91.6	Very high	72 Å²	72	58.2 Å²	58.2	44%	0.436	33%	0.329	S	S	.	.	S	Bend	trans	-148.6	114.1	175.6	-179.6	0	0	0	0	107.8	V50 G54 K55	V50-V52 PolarHBondContact O-N 2.95Å; V52-G54 PolarHBondContact O-N 3.41Å; V52-G54 VanDerWaalsContact O-N 3.11Å; V52-K55 HydrophobicContact CB-CD 4.16Å; V52-K55 HydrophobicContact CB-CG 4.2Å; V52-K55 HydrophobicContact CG1-CG 4.41Å; V52-K55 PolarHBondContact O-N 2.69Å
53	D	86.5	Confident	91.8	Very high	137 Å²	137	57.1 Å²	57.1	73%	0.733	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-41.8	-170.5	-47.5	-8.8	0	0	0	113.7	R48 K55	R48-D53 PolarHBondContact NH2-O 3.25Å; D53-K55 PolarHBondContact O-N 2.86Å
54	G	89.2	Confident	91.9	Very high	79 Å²	79	58.6 Å²	58.6	81%	0.814	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	12.2	-179	0	0	0	0	0	115.5	V52	V52-G54 PolarHBondContact O-N 3.41Å; V52-G54 VanDerWaalsContact O-N 3.11Å
55	K	92.8	Very high	92.1	Very high	129 Å²	129	55.5 Å²	55.5	56%	0.561	31%	0.31	S	S	*	.	S	Bend	trans	-104.2	147.7	169.5	-66.2	-174.9	179.7	-179.9	0	110.8	R48 V52 D53	R48-K55 PolarHBondContact NH1-O 3.46Å; V52-K55 HydrophobicContact CB-CD 4.16Å; V52-K55 HydrophobicContact CB-CG 4.2Å; V52-K55 HydrophobicContact CG1-CG 4.41Å; V52-K55 PolarHBondContact O-N 2.69Å; D53-K55 PolarHBondContact O-N 2.86Å
56	A	92.8	Very high	92.3	Very high	31 Å²	31	54.4 Å²	54.4	26%	0.256	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-75.8	146.2	167.4	0	0	0	0	0	110.9	Q58 T183 D185	A56-Q58 PolarHBondContact O-N 3.39Å; A56-T183 WeakPolarHBondContact CA-O 3.28Å; A56-D185 HydrophobicContact CB-CB 4.08Å
57	V	94.4	Very high	92.5	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124	162.9	-175.4	0	0	0	0	107.2	R48 P49 V50 V59 W88 W114 T183 V184 D185	R48-V57 HydrophobicContact CB-CG2 3.94Å; R48-V57 HydrophobicContact CG-CG2 4.42Å; P49-V57 HydrophobicContact CG-CG1 4.5Å; P49-V57 HydrophobicContact CG-CG2 4.4Å; V50-V57 HydrophobicContact CG1-CB 4.46Å; V50-V57 HydrophobicContact CG1-CG2 3.53Å; V57-V59 HydrophobicContact CG1-CG2 3.96Å; V57-W88 HydrophobicContact CG1-CB 4.36Å; V57-W114 HydrophobicContact CB-CH2 4.16Å; V57-W114 HydrophobicContact CG1-CH2 3.92Å; V57-W114 HydrophobicContact CG1-CZ3 3.89Å; V57-W114 HydrophobicContact CG2-CH2 4.14Å; V57-W114 HydrophobicContact CG2-CZ2 4.48Å; V57-T183 PolarHBondContact N-O 2.94Å; V57-V184 HydrophobicContact CB-CG2 4.4Å; V57-V184 WeakPolarHBondContact O-CA 3.45Å; V57-D185 PolarHBondContact O-N 2.73Å
58	Q	93.2	Very high	92.7	Very high	97 Å²	97	44.6 Å²	44.6	45%	0.453	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.7	172.7	-64.3	-177.3	43.3	0	0	108.8	A56 F60	A56-Q58 PolarHBondContact O-N 3.39Å; Q58-F60 HydrophobicContact CB-CE2 4.37Å
59	V	94.7	Very high	92.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	109.5	179.6	177.8	0	0	0	0	107.7	V57 L86 W88 W114 P116 V184 D185 L186 K187	V57-V59 HydrophobicContact CG1-CG2 3.96Å; V59-L86 HydrophobicContact CG1-CD2 3.75Å; V59-W88 HydrophobicContact CG2-CB 4.25Å; V59-W114 HydrophobicContact CG2-CH2 4.36Å; V59-P116 HydrophobicContact CG1-CG 4.15Å; V59-P116 HydrophobicContact CG2-CG 4.45Å; V59-V184 HydrophobicContact CB-CG1 4.36Å; V59-V184 HydrophobicContact CG2-CG1 3.76Å; V59-D185 PolarHBondContact N-O 3.26Å; V59-L186 HydrophobicContact CB-CD2 3.98Å; V59-L186 HydrophobicContact CG1-CD2 3.82Å; V59-L186 CarbonylContact O-C 3.6Å; V59-L186 WeakPolarHBondContact O-CA 3.23Å; V59-K187 PolarHBondContact O-N 3.39Å
60	F	93.3	Very high	92.7	Very high	70 Å²	70	50.3 Å²	50.3	31%	0.307	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128	173.4	-60.9	-92.9	0	0	0	109	Q58 L86 K87 K187 Q189	Q58-F60 HydrophobicContact CB-CE2 4.37Å; F60-L86 WeakPolarHBondContact O-CA 3.49Å; F60-K87 HydrophobicContact CB-CB 4.29Å; F60-K87 PolarHBondContact N-O 2.87Å; F60-K87 PolarHBondContact O-N 3.41Å; F60-K187 CarbonylContact C-O 3.52Å; F60-K187 WeakPolarHBondContact CA-O 3.49Å; F60-K187 HydrophobicContact CD1-CB 3.87Å; F60-K187 HydrophobicContact CD1-CD 4.48Å; F60-K187 HydrophobicContact CE1-CB 4.1Å; F60-K187 HydrophobicContact CE1-CD 3.89Å; F60-K187 HydrophobicContact CZ-CD 4.18Å; F60-Q189 HydrophobicContact CB-CB 4.45Å
61	L	92.3	Very high	92.7	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	176.4	173.1	61.1	0	0	0	109.2	L84 D85 L86 K187 L188 Q189 V242	L61-L84 HydrophobicContact CD1-CB 4.02Å; L61-L84 HydrophobicContact CD1-CD2 4.32Å; L61-D85 WeakPolarHBondContact CA-O 3.32Å; L61-L86 HydrophobicContact CB-CD2 4.19Å; L61-L86 HydrophobicContact CD1-CD2 3.76Å; L61-L86 HydrophobicContact CD1-CG 4.15Å; L61-L86 HydrophobicContact CG-CD2 4.47Å; L61-K187 PolarHBondContact N-O 2.91Å; L61-L188 WeakPolarHBondContact O-CA 3.37Å; L61-Q189 PolarHBondContact O-N 3.3Å; L61-V242 HydrophobicContact CD2-CB 4.28Å; L61-V242 HydrophobicContact CD2-CG1 4.28Å; L61-V242 HydrophobicContact CD2-CG2 4.27Å
62	K	91.5	Very high	93	Very high	22 Å²	22	47.5 Å²	47.5	10%	0.096	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.4	160.2	177.4	168.4	171.7	167.6	0	109.2	F64 D85 Q189 D191 D208	K62-F64 HydrophobicContact CB-CE2 4.5Å; K62-F64 HydrophobicContact CD-CE2 4.13Å; K62-F64 HydrophobicContact CD-CZ 3.97Å; K62-F64 HydrophobicContact CG-CD2 4.49Å; K62-F64 HydrophobicContact CG-CE2 3.9Å; K62-F64 HydrophobicContact CG-CZ 4.24Å; K62-D85 HydrophobicContact CB-CB 4.33Å; K62-D85 PolarHBondContact N-O 3.08Å; K62-D85 PolarHBondContact O-N 3.12Å; K62-Q189 HydrophobicContact CB-CB 4.14Å; K62-D191 IonicContact NZ-OD1 2.86Å; K62-D191 PolarHBondContact NZ-OD1 3.33Å; K62-D191 IonicContact NZ-OD2 3.22Å; K62-D191 PolarHBondContact NZ-OD2 3.42Å; K62-D208 VanDerWaalsContact CE-CB 3.44Å; K62-D208 WeakPolarHBondContact CE-OD2 3.37Å; K62-D208 IonicContact NZ-OD2 3.4Å; K62-D208 PolarHBondContact NZ-OD2 2.94Å
63	C	92.6	Very high	93	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.02	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.9	178.9	-61.3	0	0	0	0	110.4	L84 D208 I225 I244	C63-L84 HydrophobicContact CB-CD2 4.44Å; C63-D208 PolarHBondContact O-N 3.2Å; C63-D208 VanDerWaalsContact O-N 3.16Å; C63-I225 HydrophobicContact CB-CD1 3.8Å; C63-I225 VanDerWaalsContact SG-CD1 3.52Å; C63-I244 HydrophobicContact CB-CD1 4.04Å
64	F	93.8	Very high	93.1	Very high	33 Å²	33	42.8 Å²	42.8	15%	0.145	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.4	172.2	-58.1	-107.4	0	0	0	108.2	K62 N66 L82 W83 D85 D208	K62-F64 HydrophobicContact CB-CE2 4.5Å; K62-F64 HydrophobicContact CD-CE2 4.13Å; K62-F64 HydrophobicContact CD-CZ 3.97Å; K62-F64 HydrophobicContact CG-CD2 4.49Å; K62-F64 HydrophobicContact CG-CE2 3.9Å; K62-F64 HydrophobicContact CG-CZ 4.24Å; F64-N66 PolarHBondContact O-N 3Å; F64-L82 WeakPolarHBondContact O-CA 3.34Å; F64-W83 HydrophobicContact CB-CB 4.22Å; F64-W83 HydrophobicContact CD2-CB 4.48Å; F64-W83 PolarHBondContact N-O 2.97Å; F64-W83 PolarHBondContact O-N 2.91Å; F64-D85 HydrophobicContact CE2-CB 3.79Å; F64-D208 WeakPolarHBondContact CA-O 3.49Å; F64-D208 HydrophobicContact CB-CB 4.48Å; F64-D208 HydrophobicContact CD1-CB 3.48Å; F64-D208 VanDerWaalsContact CD1-CB 3.48Å; F64-D208 HydrophobicContact CE1-CB 3.79Å; F64-D208 WeakPolarHBondContact CE1-OD2 3.39Å; F64-D208 HydrophobicContact CG-CB 4Å
65	L	95.3	Very high	93.2	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	102.1	173.3	173.8	60.2	0	0	0	108.4	T80 L82 V207 D208 L209 Y212 L220 A223	L65-T80 HydrophobicContact CD1-CG2 4.1Å; L65-L82 HydrophobicContact CB-CD2 4.19Å; L65-L82 HydrophobicContact CD1-CD2 3.68Å; L65-V207 HydrophobicContact CB-CG1 3.81Å; L65-D208 PolarHBondContact N-O 2.94Å; L65-D208 VanDerWaalsContact N-O 3.07Å; L65-L209 HydrophobicContact CB-CD2 3.95Å; L65-L209 HydrophobicContact CD2-CD2 4.18Å; L65-L209 HydrophobicContact CG-CD2 4.45Å; L65-Y212 HydrophobicContact CD2-CD2 4.36Å; L65-Y212 HydrophobicContact CD2-CE2 4.33Å; L65-Y212 HydrophobicContact CG-CD2 4.03Å; L65-Y212 HydrophobicContact CG-CE2 4.3Å; L65-Y212 WeakPolarHBondContact O-CA 3.49Å; L65-Y212 WeakPolarHBondContact O-CB 3.47Å; L65-L220 HydrophobicContact CD2-CD1 4.21Å; L65-L220 HydrophobicContact CD2-CD2 4.02Å; L65-A223 HydrophobicContact CD2-CB 4.15Å
66	N	94.3	Very high	93.3	Very high	32 Å²	32	40.7 Å²	40.7	17%	0.171	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-48	-177.1	-178.5	-92.4	0	0	0	111.5	F64 I81 W83 A211 Y212 L213	F64-N66 PolarHBondContact O-N 3Å; N66-I81 HydrophobicContact CB-CB 4.35Å; N66-I81 HydrophobicContact CB-CG2 4.09Å; N66-I81 WeakPolarHBondContact CB-O 3.46Å; N66-I81 PolarHBondContact N-O 3.22Å; N66-W83 WeakPolarHBondContact ND2-CZ2 3.35Å; N66-A211 PolarHBondContact ND2-O 2.91Å; N66-Y212 CarbonylContact O-C 3.59Å; N66-Y212 WeakPolarHBondContact O-CA 3.41Å; N66-L213 PolarHBondContact O-N 3.48Å
67	Q	94.7	Very high	93.4	Very high	48 Å²	48	40.3 Å²	40.3	22%	0.224	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	153.8	171.6	57.3	-173.1	-5.5	0	0	112.7	M69 T80 I81 L213	Q67-M69 HydrophobicContact CG-CG 4.38Å; Q67-M69 HydrophobicContact CG-SD 4Å; Q67-M69 PolarHBondContact NE2-SD 3.3Å; Q67-T80 WeakPolarHBondContact O-CA 3.46Å; Q67-I81 HydrophobicContact CG-CB 4.22Å; Q67-I81 HydrophobicContact CG-CD1 4.24Å; Q67-I81 HydrophobicContact CG-CG1 4.3Å; Q67-I81 PolarHBondContact N-O 3.03Å; Q67-I81 PolarHBondContact O-N 3.34Å; Q67-L213 HydrophobicContact CB-CB 4.31Å
68	I	96.1	Very high	93.4	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	120.3	159.4	-62.1	167.1	0	0	0	105.7	V71 L78 T80 H215 L220 V246 M248	I68-V71 HydrophobicContact CG2-CG2 3.84Å; I68-L78 HydrophobicContact CG2-CD1 3.89Å; I68-T80 HydrophobicContact CG1-CG2 4.29Å; I68-H215 PolarHBondContact O-CD2 3.48Å; I68-H215 VanDerWaalsContact O-CD2 3.32Å; I68-L220 HydrophobicContact CD1-CD1 4.46Å; I68-V246 HydrophobicContact CD1-CG1 4.29Å; I68-M248 HydrophobicContact CD1-SD 3.99Å
69	M	93.1	Very high	93.5	Very high	86 Å²	86	36 Å²	36	42%	0.424	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-45.4	-177.7	-79.9	-63.9	-49	0	0	112.2	Q67 S79 I81 L151	Q67-M69 HydrophobicContact CG-CG 4.38Å; Q67-M69 HydrophobicContact CG-SD 4Å; Q67-M69 PolarHBondContact NE2-SD 3.3Å; M69-S79 PolarHBondContact N-O 3.35Å; M69-I81 HydrophobicContact CG-CD1 4.13Å; M69-I81 HydrophobicContact CG-CG1 3.82Å; M69-I81 HydrophobicContact SD-CD1 3.91Å; M69-I81 HydrophobicContact SD-CG1 4.27Å; M69-L151 HydrophobicContact CG-CD1 4.01Å
70	D	93.9	Very high	93.6	Very high	90 Å²	90	36 Å²	36	48%	0.481	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	157.5	-177	-163	8.3	0	0	0	109.8	S79	D70-S79 PolarHBondContact N-O 2.91Å; D70-S79 PolarHBondContact O-N 3.18Å
71	V	93.9	Very high	93.7	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	89.4	174.9	-173.6	0	0	0	0	107.1	I68 E73 L78 I158 W218 M248	I68-V71 HydrophobicContact CG2-CG2 3.84Å; V71-E73 HydrophobicContact CG1-CG 4.44Å; V71-E73 PolarHBondContact O-N 2.86Å; V71-L78 HydrophobicContact CG2-CD1 3.91Å; V71-I158 HydrophobicContact CG1-CD1 4.13Å; V71-W218 HydrophobicContact CB-CZ2 4.27Å; V71-W218 HydrophobicContact CG1-CZ2 4.08Å; V71-W218 HydrophobicContact CG2-CD2 4.45Å; V71-W218 HydrophobicContact CG2-CG 4.29Å; V71-M248 HydrophobicContact CB-CE 4.34Å; V71-M248 HydrophobicContact CG1-CE 3.68Å; V71-M248 HydrophobicContact CG2-CE 3.68Å; V71-M248 HydrophobicContact CG2-SD 4.04Å
72	D	93.5	Very high	93.8	Very high	53 Å²	53	34.3 Å²	34.3	28%	0.283	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	95.8	178.6	-175.4	-24.8	0	0	0	108.7	K74 N75 Q76 V77	D72-K74 PolarHBondContact O-N 2.69Å; D72-K74 WeakPolarHBondContact OD1-CB 3.26Å; D72-K74 PolarHBondContact OD1-N 2.99Å; D72-N75 PolarHBondContact OD1-N 2.95Å; D72-N75 PolarHBondContact OD2-ND2 3.23Å; D72-Q76 WeakPolarHBondContact O-CA 3.37Å; D72-Q76 PolarHBondContact O-N 3.18Å; D72-V77 PolarHBondContact N-O 2.89Å; D72-V77 PolarHBondContact O-N 3.3Å
73	E	91.1	Very high	94	Very high	24 Å²	24	38 Å²	38	11%	0.112	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.6	-178.7	-50.5	98.6	150.9	0	0	112.4	V71 I158 R250 P306	V71-E73 HydrophobicContact CG1-CG 4.44Å; V71-E73 PolarHBondContact O-N 2.86Å; E73-I158 HydrophobicContact CB-CG1 4.3Å; E73-I158 HydrophobicContact CB-CG2 4.18Å; E73-I158 HydrophobicContact CG-CG1 4.41Å; E73-I158 HydrophobicContact CG-CG2 4.12Å; E73-R250 IonicContact OE1-CZ 2.8Å; E73-R250 IonicContact OE1-NH1 3.48Å; E73-R250 PolarHBondContact OE1-NH1 3.28Å; E73-R250 IonicContact OE1-NH2 3.8Å; E73-R250 PolarHBondContact OE1-NH2 3.11Å; E73-P306 VanDerWaalsContact O-CB 3.22Å; E73-P306 WeakPolarHBondContact O-CB 3.25Å; E73-P306 VanDerWaalsContact O-CD 3.3Å; E73-P306 WeakPolarHBondContact O-CD 3.48Å; E73-P306 WeakPolarHBondContact O-CG 3.35Å
74	K	89.5	Confident	94	Very high	87 Å²	87	37.9 Å²	37.9	38%	0.378	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-40.3	-177.6	-175.2	172.3	-170.9	157.9	0	111.5	D72 D303	D72-K74 PolarHBondContact O-N 2.69Å; D72-K74 WeakPolarHBondContact OD1-CB 3.26Å; D72-K74 PolarHBondContact OD1-N 2.99Å; K74-D303 IonicContact NZ-OD1 3.58Å; K74-D303 PolarHBondContact NZ-OD1 3.19Å; K74-D303 VanDerWaalsContact NZ-OD1 3.16Å
75	N	91.3	Very high	94	Very high	112 Å²	112	36.8 Å²	36.8	60%	0.599	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-1.3	176.3	-63.3	-52	0	0	0	113.3	D72 V77	D72-N75 PolarHBondContact OD1-N 2.95Å; D72-N75 PolarHBondContact OD2-ND2 3.23Å; N75-V77 HydrophobicContact CB-CG2 4.34Å
76	Q	93.2	Very high	94	Very high	51 Å²	51	36.7 Å²	36.7	24%	0.238	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	44.8	178.8	-59.1	-174.9	-103.2	0	0	113.8	D72 C156 D157 P306	D72-Q76 WeakPolarHBondContact O-CA 3.37Å; D72-Q76 PolarHBondContact O-N 3.18Å; Q76-C156 WeakPolarHBondContact CB-O 3.3Å; Q76-C156 PolarHBondContact O-N 2.88Å; Q76-D157 PolarHBondContact NE2-OD1 3.38Å; Q76-P306 HydrophobicContact CG-CB 4.23Å
77	V	95	Very high	94	Very high	24 Å²	24	37.7 Å²	37.7	15%	0.145	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.3	-176.9	-175.3	0	0	0	0	112.3	D72 N75 A124 H153 S154	D72-V77 PolarHBondContact N-O 2.89Å; D72-V77 PolarHBondContact O-N 3.3Å; N75-V77 HydrophobicContact CB-CG2 4.34Å; V77-A124 HydrophobicContact CB-CB 4.36Å; V77-A124 HydrophobicContact CG1-CB 3.8Å; V77-A124 HydrophobicContact CG2-CB 3.61Å; V77-H153 HydrophobicContact CG1-CB 4.02Å; V77-S154 CarbonylContact C-O 3.55Å; V77-S154 WeakPolarHBondContact CA-O 3.27Å
78	L	95.9	Very high	94	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.3	164.9	166.3	65.6	0	0	0	109.6	I68 V71 T80 S154 C156 C170	I68-L78 HydrophobicContact CG2-CD1 3.89Å; V71-L78 HydrophobicContact CG2-CD1 3.91Å; L78-T80 HydrophobicContact CD1-CG2 3.8Å; L78-T80 HydrophobicContact CD2-CG2 3.99Å; L78-T80 HydrophobicContact CG-CG2 3.85Å; L78-S154 PolarHBondContact N-O 3.38Å; L78-S154 PolarHBondContact O-N 2.88Å; L78-S154 PolarHBondContact O-OG 2.9Å; L78-C156 HydrophobicContact CB-CB 4.16Å; L78-C170 HydrophobicContact CB-CB 4.32Å; L78-C170 HydrophobicContact CD2-CB 3.37Å; L78-C170 HydrophobicContact CG-CB 4.42Å
79	S	95.5	Very high	94	Very high	11 Å²	11	38.1 Å²	38.1	8%	0.077	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.2	175	-56.1	0	0	0	0	110.7	M69 D70 F152 H153	M69-S79 PolarHBondContact N-O 3.35Å; D70-S79 PolarHBondContact N-O 2.91Å; D70-S79 PolarHBondContact O-N 3.18Å; S79-F152 WeakPolarHBondContact CA-O 3.23Å; S79-H153 PolarHBondContact OG-CE1 3.44Å; S79-H153 PolarHBondContact OG-ND1 3.07Å
80	T	95.3	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.1	179	60.6	0	0	0	0	112.6	L65 Q67 I68 L78 L151 F152 M172	L65-T80 HydrophobicContact CD1-CG2 4.1Å; Q67-T80 WeakPolarHBondContact O-CA 3.46Å; I68-T80 HydrophobicContact CG1-CG2 4.29Å; L78-T80 HydrophobicContact CD1-CG2 3.8Å; L78-T80 HydrophobicContact CD2-CG2 3.99Å; L78-T80 HydrophobicContact CG-CG2 3.85Å; T80-L151 CarbonylContact O-C 3.49Å; T80-L151 WeakPolarHBondContact O-CA 3.4Å; T80-F152 PolarHBondContact N-O 3.47Å; T80-F152 PolarHBondContact O-N 3.04Å; T80-M172 HydrophobicContact CG2-CE 4.43Å; T80-M172 HydrophobicContact CG2-SD 4.19Å; T80-M172 PolarHBondContact OG1-SD 3.06Å
81	I	95.4	Very high	94	Very high	37 Å²	37	32.5 Å²	32.5	19%	0.19	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.1	161.5	-60.6	-176	0	0	0	108.4	N66 Q67 M69 G150 L151	N66-I81 HydrophobicContact CB-CB 4.35Å; N66-I81 HydrophobicContact CB-CG2 4.09Å; N66-I81 WeakPolarHBondContact CB-O 3.46Å; N66-I81 PolarHBondContact N-O 3.22Å; Q67-I81 HydrophobicContact CG-CB 4.22Å; Q67-I81 HydrophobicContact CG-CD1 4.24Å; Q67-I81 HydrophobicContact CG-CG1 4.3Å; Q67-I81 PolarHBondContact N-O 3.03Å; Q67-I81 PolarHBondContact O-N 3.34Å; M69-I81 HydrophobicContact CG-CD1 4.13Å; M69-I81 HydrophobicContact CG-CG1 3.82Å; M69-I81 HydrophobicContact SD-CD1 3.91Å; M69-I81 HydrophobicContact SD-CG1 4.27Å; I81-G150 WeakPolarHBondContact CA-O 3.3Å; I81-L151 HydrophobicContact CG1-CD1 4.06Å
82	L	95.2	Very high	93.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	143.9	173.3	-57.5	179.4	0	0	0	109.7	F64 L65 L84 P149 G150 F152 M172 L174 I244	F64-L82 WeakPolarHBondContact O-CA 3.34Å; L65-L82 HydrophobicContact CB-CD2 4.19Å; L65-L82 HydrophobicContact CD1-CD2 3.68Å; L82-L84 HydrophobicContact CB-CD2 4.26Å; L82-P149 WeakPolarHBondContact O-CA 3.38Å; L82-G150 PolarHBondContact N-O 3.39Å; L82-G150 PolarHBondContact O-N 2.86Å; L82-F152 HydrophobicContact CB-CD2 3.83Å; L82-F152 HydrophobicContact CB-CE2 3.95Å; L82-F152 HydrophobicContact CD1-CD2 3.84Å; L82-F152 HydrophobicContact CD1-CE2 4.28Å; L82-F152 HydrophobicContact CD1-CG 4.43Å; L82-F152 HydrophobicContact CG-CD2 3.91Å; L82-F152 HydrophobicContact CG-CE2 4.45Å; L82-M172 HydrophobicContact CD1-CE 3.94Å; L82-M172 HydrophobicContact CD1-SD 4.11Å; L82-M172 HydrophobicContact CD2-CE 4.11Å; L82-M172 HydrophobicContact CG-CE 4.47Å; L82-L174 HydrophobicContact CD1-CD1 4.26Å; L82-I244 HydrophobicContact CD1-CD1 3.81Å
83	W	94.8	Very high	93.9	Very high	98 Å²	98	30.1 Å²	30.1	37%	0.371	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.9	162.2	-53.4	-9.5	0	0	0	108.3	F64 N66 V147 P149 A211	F64-W83 HydrophobicContact CB-CB 4.22Å; F64-W83 HydrophobicContact CD2-CB 4.48Å; F64-W83 PolarHBondContact N-O 2.97Å; F64-W83 PolarHBondContact O-N 2.91Å; N66-W83 WeakPolarHBondContact ND2-CZ2 3.35Å; W83-V147 HydrophobicContact CB-CG1 4.37Å; W83-P149 HydrophobicContact CG-CB 4.41Å; W83-A211 HydrophobicContact CZ3-CB 4.41Å
84	L	93.8	Very high	93.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	101.3	-177.1	-55.1	-177.5	0	0	0	108.9	L61 C63 L82 L86 I118 I131 W146 V147 P148 F152 L174	L61-L84 HydrophobicContact CD1-CB 4.02Å; L61-L84 HydrophobicContact CD1-CD2 4.32Å; C63-L84 HydrophobicContact CB-CD2 4.44Å; L82-L84 HydrophobicContact CB-CD2 4.26Å; L84-L86 PolarHBondContact O-N 2.85Å; L84-I118 HydrophobicContact CD1-CG2 4.29Å; L84-I131 HydrophobicContact CD1-CD1 4.42Å; L84-W146 VanDerWaalsContact O-O 3.07Å; L84-V147 WeakPolarHBondContact O-CA 3.27Å; L84-P148 PolarHBondContact N-O 3.17Å; L84-P148 WeakPolarHBondContact O-CD 3.36Å; L84-F152 HydrophobicContact CD1-CE2 4.31Å; L84-F152 HydrophobicContact CD1-CZ 3.94Å; L84-L174 HydrophobicContact CD1-CD1 4.42Å; L84-L174 HydrophobicContact CD2-CD1 3.77Å
85	D	93.8	Very high	94.1	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.053	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	99.1	174.8	-174.5	11.2	0	0	0	109.3	L61 K62 F64 K87 Q145 V147	L61-D85 WeakPolarHBondContact CA-O 3.32Å; K62-D85 HydrophobicContact CB-CB 4.33Å; K62-D85 PolarHBondContact N-O 3.08Å; K62-D85 PolarHBondContact O-N 3.12Å; F64-D85 HydrophobicContact CE2-CB 3.79Å; D85-K87 WeakPolarHBondContact OD1-CE 3.38Å; D85-K87 IonicContact OD1-NZ 3.69Å; D85-K87 VanDerWaalsContact OD2-CE 3.24Å; D85-K87 WeakPolarHBondContact OD2-CE 3.41Å; D85-K87 IonicContact OD2-NZ 2.69Å; D85-K87 PolarHBondContact OD2-NZ 3.28Å; D85-Q145 VanDerWaalsContact OD1-CG 3.28Å; D85-Q145 WeakPolarHBondContact OD1-CG 3.43Å; D85-Q145 PolarHBondContact OD1-NE2 3.4Å; D85-Q145 PolarHBondContact OD2-NE2 3.18Å; D85-V147 HydrophobicContact CB-CG1 4.3Å; D85-V147 HydrophobicContact CB-CG2 4.13Å; D85-V147 WeakPolarHBondContact OD1-CG2 3.14Å
86	L	94.4	Very high	94.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.7	-178	-72.8	164.4	0	0	0	109.9	V59 F60 L61 L84 W88 I118 Q145 W146	V59-L86 HydrophobicContact CG1-CD2 3.75Å; F60-L86 WeakPolarHBondContact O-CA 3.49Å; L61-L86 HydrophobicContact CB-CD2 4.19Å; L61-L86 HydrophobicContact CD1-CD2 3.76Å; L61-L86 HydrophobicContact CD1-CG 4.15Å; L61-L86 HydrophobicContact CG-CD2 4.47Å; L84-L86 PolarHBondContact O-N 2.85Å; L86-W88 HydrophobicContact CB-CE3 4.4Å; L86-W88 HydrophobicContact CB-CZ3 4.02Å; L86-I118 HydrophobicContact CD1-CG1 4.01Å; L86-I118 HydrophobicContact CD2-CD1 4.47Å; L86-I118 HydrophobicContact CD2-CG1 4.07Å; L86-Q145 WeakPolarHBondContact O-CA 3.36Å; L86-W146 HydrophobicContact CD1-CE3 3.82Å; L86-W146 HydrophobicContact CD1-CZ3 4.13Å; L86-W146 PolarHBondContact N-O 2.89Å; L86-W146 PolarHBondContact O-N 3.47Å
87	K	95.2	Very high	94.2	Very high	53 Å²	53	26 Å²	26	23%	0.23	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.3	178.9	-69.6	164	-170.8	145.7	0	111.3	F60 D85 I144 Q145	F60-K87 HydrophobicContact CB-CB 4.29Å; F60-K87 PolarHBondContact N-O 2.87Å; F60-K87 PolarHBondContact O-N 3.41Å; D85-K87 WeakPolarHBondContact OD1-CE 3.38Å; D85-K87 IonicContact OD1-NZ 3.69Å; D85-K87 VanDerWaalsContact OD2-CE 3.24Å; D85-K87 WeakPolarHBondContact OD2-CE 3.41Å; D85-K87 IonicContact OD2-NZ 2.69Å; D85-K87 PolarHBondContact OD2-NZ 3.28Å; K87-I144 VanDerWaalsContact CA-O 3.3Å; K87-I144 WeakPolarHBondContact CA-O 3.23Å; K87-Q145 VanDerWaalsContact CE-CD 3.49Å; K87-Q145 HydrophobicContact CG-CB 4.16Å; K87-Q145 HydrophobicContact CG-CG 3.9Å
88	W	95	Very high	94.1	Very high	6 Å²	6	28.6 Å²	28.6	2%	0.023	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	176.8	172.8	66.1	101.5	0	0	0	110.2	V57 V59 L86 I113 W114 K115 V136 I144 W146	V57-W88 HydrophobicContact CG1-CB 4.36Å; V59-W88 HydrophobicContact CG2-CB 4.25Å; L86-W88 HydrophobicContact CB-CE3 4.4Å; L86-W88 HydrophobicContact CB-CZ3 4.02Å; W88-I113 HydrophobicContact CZ2-CD1 3.99Å; W88-W114 AromaticContact CD1-CZ3 3.99Å; W88-W114 HydrophobicContact CG-CZ3 4.34Å; W88-W114 WeakPolarHBondContact CZ2-O 3.48Å; W88-W114 AromaticContact NE1-CE3 3.77Å; W88-W114 AromaticContact NE1-CZ3 3.98Å; W88-K115 HydrophobicContact CH2-CB 4.4Å; W88-K115 HydrophobicContact CZ2-CB 4.43Å; W88-V136 HydrophobicContact CH2-CG1 4.44Å; W88-I144 HydrophobicContact CD2-CB 4.06Å; W88-I144 HydrophobicContact CD2-CG2 4.09Å; W88-I144 HydrophobicContact CE3-CG2 4.3Å; W88-I144 HydrophobicContact CG-CB 4.4Å; W88-I144 HydrophobicContact CH2-CG2 3.69Å; W88-I144 HydrophobicContact CZ2-CB 4.18Å; W88-I144 HydrophobicContact CZ2-CG2 3.42Å; W88-I144 VanDerWaalsContact CZ2-CG2 3.42Å; W88-I144 HydrophobicContact CZ3-CG2 4.11Å; W88-I144 PolarHBondContact N-O 2.68Å; W88-I144 VanDerWaalsContact N-O 3.09Å; W88-I144 PolarHBondContact O-N 3.44Å; W88-W146 HydrophobicContact CH2-CB 3.91Å; W88-W146 HydrophobicContact CZ3-CB 3.87Å
89	S	94.5	Very high	93.8	Very high	54 Å²	54	33 Å²	33	38%	0.378	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.3	173	-168.3	0	0	0	0	109.6	G142	S89-G142 WeakPolarHBondContact CA-O 3.36Å
90	D	94.5	Very high	93.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	120.3	176.8	-175.2	-15.7	0	0	0	110.1	H43 P49 H92 F93 G142 I144	H43-D90 IonicContact CE1-OD2 2.71Å; H43-D90 PolarHBondContact CE1-OD2 2.85Å; H43-D90 IonicContact ND1-OD2 3.25Å; P49-D90 HydrophobicContact CB-CB 3.74Å; P49-D90 VanDerWaalsContact CB-OD1 3.29Å; P49-D90 WeakPolarHBondContact CB-OD1 3.23Å; P49-D90 HydrophobicContact CG-CB 4.18Å; D90-H92 VanDerWaalsContact C-N 3.3Å; D90-H92 PolarHBondContact O-N 3Å; D90-H92 WeakPolarHBondContact OD1-CB 3.45Å; D90-H92 IonicContact OD1-CE1 2.67Å; D90-H92 IonicContact OD1-CG 3.85Å; D90-H92 PolarHBondContact OD1-N 3.32Å; D90-H92 IonicContact OD1-ND1 3.2Å; D90-H92 PolarHBondContact OD1-ND1 3.44Å; D90-H92 IonicContact OD2-ND1 3.85Å; D90-F93 HydrophobicContact CB-CD2 3.98Å; D90-F93 PolarHBondContact O-N 3.23Å; D90-F93 WeakPolarHBondContact OD2-CD2 3.49Å; D90-F93 WeakPolarHBondContact OD2-CE2 3.49Å; D90-G142 PolarHBondContact N-O 2.96Å; D90-G142 WeakPolarHBondContact O-CA 3.23Å; D90-I144 HydrophobicContact CB-CD1 3.67Å; D90-I144 HydrophobicContact CB-CG1 4.32Å
91	Y	92.1	Very high	93.2	Very high	58 Å²	58	39.3 Å²	39.3	23%	0.227	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-24	-175	68.5	-93.4	0	0	0	113.4	D41 V50 F93 H94	D41-Y91 HydrophobicContact CB-CD2 4.41Å; D41-Y91 HydrophobicContact CB-CE2 4.07Å; V50-Y91 VanDerWaalsContact C-CE1 3.43Å; V50-Y91 WeakPolarHBondContact O-CE1 3.45Å; Y91-F93 PolarHBondContact O-N 3.2Å; Y91-H94 PolarHBondContact O-CD2 2.87Å; Y91-H94 PolarHBondContact O-N 2.87Å
92	H	92	Very high	93	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.028	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	-30.1	176.8	-55.8	96.3	0	0	0	111.7	R39 H43 D90 H94	R39-H92 PolarHBondContact NH1-O 3.42Å; H43-H92 HydrophobicContact CB-CB 3.95Å; H43-H92 AromaticContact ND1-CG 3.68Å; H43-H92 AromaticContact ND1-ND1 3.55Å; D90-H92 VanDerWaalsContact C-N 3.3Å; D90-H92 PolarHBondContact O-N 3Å; D90-H92 WeakPolarHBondContact OD1-CB 3.45Å; D90-H92 IonicContact OD1-CE1 2.67Å; D90-H92 IonicContact OD1-CG 3.85Å; D90-H92 PolarHBondContact OD1-N 3.32Å; D90-H92 IonicContact OD1-ND1 3.2Å; D90-H92 PolarHBondContact OD1-ND1 3.44Å; D90-H92 IonicContact OD2-ND1 3.85Å; H92-H94 PolarHBondContact O-N 3.23Å
93	F	93.4	Very high	92.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	22.9	-175.2	-64.9	-72	0	0	0	114.3	L34 F35 H43 D90 Y91 W95 L108 I113 V138 I144	L34-F93 HydrophobicContact CB-CD1 4.49Å; L34-F93 HydrophobicContact CB-CE1 4.42Å; L34-F93 HydrophobicContact CD1-CD1 4.26Å; L34-F93 HydrophobicContact CD2-CD1 4.3Å; F35-F93 HydrophobicContact CE1-CE1 4.43Å; F35-F93 HydrophobicContact CE1-CZ 4.32Å; F35-F93 HydrophobicContact CZ-CE1 4.26Å; F35-F93 HydrophobicContact CZ-CZ 4.43Å; H43-F93 HydrophobicContact CB-CZ 4.27Å; H43-F93 AromaticContact CD2-CZ 3.9Å; H43-F93 AromaticContact CE1-CE2 3.72Å; H43-F93 AromaticContact CG-CE2 3.83Å; H43-F93 AromaticContact CG-CZ 3.73Å; H43-F93 AromaticContact ND1-CE2 3.53Å; H43-F93 AromaticContact ND1-CZ 3.95Å; D90-F93 HydrophobicContact CB-CD2 3.98Å; D90-F93 PolarHBondContact O-N 3.23Å; D90-F93 WeakPolarHBondContact OD2-CD2 3.49Å; D90-F93 WeakPolarHBondContact OD2-CE2 3.49Å; Y91-F93 PolarHBondContact O-N 3.2Å; F93-W95 VanDerWaalsContact O-CZ3 3.31Å; F93-W95 WeakPolarHBondContact O-CZ3 3.29Å; F93-L108 HydrophobicContact CD1-CD1 4.32Å; F93-L108 HydrophobicContact CE1-CD1 3.83Å; F93-L108 HydrophobicContact CZ-CD1 4.29Å; F93-I113 HydrophobicContact CE1-CG2 4.49Å; F93-I113 HydrophobicContact CE2-CB 4.37Å; F93-I113 HydrophobicContact CE2-CG2 3.96Å; F93-I113 HydrophobicContact CZ-CB 4.47Å; F93-I113 HydrophobicContact CZ-CG2 3.65Å; F93-V138 HydrophobicContact CB-CG1 3.66Å; F93-V138 HydrophobicContact CD1-CG1 4.32Å; F93-V138 HydrophobicContact CG-CG1 4.01Å; F93-I144 HydrophobicContact CD2-CD1 3.89Å; F93-I144 HydrophobicContact CE2-CD1 4.42Å
94	H	92.9	Very high	92.7	Very high	88 Å²	88	47.9 Å²	47.9	41%	0.407	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	131.9	162.6	-70.9	-58.9	0	0	0	111.8	Y91 H92 N141	Y91-H94 PolarHBondContact O-CD2 2.87Å; Y91-H94 PolarHBondContact O-N 2.87Å; H92-H94 PolarHBondContact O-N 3.23Å; H94-N141 PolarHBondContact CE1-O 3.28Å; H94-N141 VanDerWaalsContact ND1-C 3.27Å; H94-N141 PolarHBondContact ND1-O 3.28Å
95	W	93.1	Very high	92.7	Very high	14 Å²	14	53.6 Å²	53.6	5%	0.053	26%	0.264	C	S	.	.			trans	-146.9	152.3	163	72.7	92.8	0	0	0	112.3	L30 L34 F93 A97 I103 I106 V138 N140	L30-W95 HydrophobicContact CD1-CB 3.97Å; L30-W95 HydrophobicContact CD1-CD2 3.84Å; L30-W95 HydrophobicContact CD1-CE3 4.44Å; L30-W95 HydrophobicContact CD1-CG 3.59Å; L30-W95 HydrophobicContact CD2-CD2 4.08Å; L30-W95 HydrophobicContact CD2-CG 4.4Å; L30-W95 HydrophobicContact CD2-CZ2 3.94Å; L34-W95 HydrophobicContact CD1-CE3 4.05Å; L34-W95 HydrophobicContact CD1-CZ3 4.2Å; L34-W95 HydrophobicContact CD2-CE3 4.13Å; F93-W95 VanDerWaalsContact O-CZ3 3.31Å; F93-W95 WeakPolarHBondContact O-CZ3 3.29Å; W95-A97 PolarHBondContact O-N 2.88Å; W95-I103 HydrophobicContact CZ2-CG2 4.41Å; W95-I103 PolarHBondContact NE1-O 3.07Å; W95-I106 HydrophobicContact CH2-CD1 3.94Å; W95-I106 HydrophobicContact CH2-CG1 3.82Å; W95-I106 HydrophobicContact CH2-CG2 4.38Å; W95-I106 HydrophobicContact CZ2-CG2 4.27Å; W95-I106 HydrophobicContact CZ3-CD1 4.08Å; W95-I106 HydrophobicContact CZ3-CG1 4.39Å; W95-V138 HydrophobicContact CH2-CG1 4.32Å; W95-V138 HydrophobicContact CZ3-CG1 4Å; W95-N140 HydrophobicContact CD2-CB 3.69Å; W95-N140 HydrophobicContact CE3-CB 4.27Å; W95-N140 HydrophobicContact CG-CB 4.1Å; W95-N140 HydrophobicContact CH2-CB 4.11Å; W95-N140 HydrophobicContact CZ2-CB 3.52Å; W95-N140 HydrophobicContact CZ3-CB 4.45Å; W95-N140 PolarHBondContact N-O 2.86Å; W95-N140 WeakPolarHBondContact O-CB 3.31Å; W95-N140 PolarHBondContact O-ND2 2.88Å; W95-N140 VanDerWaalsContact O-ND2 3.08Å; W95-N140 VanDerWaalsContact O-O 3.11Å
96	N	94.1	Very high	92.8	Very high	76 Å²	76	53.3 Å²	53.3	41%	0.406	26%	0.263	S	S	.	.			trans	-77.8	114.2	169.8	174.4	20.2	0	0	0	109.4	S98 D99	N96-S98 PolarHBondContact O-N 3.41Å; N96-S98 VanDerWaalsContact OD1-CB 3.26Å; N96-S98 WeakPolarHBondContact OD1-CB 3.49Å; N96-S98 PolarHBondContact OD1-N 3.43Å; N96-S98 VanDerWaalsContact OD1-N 3.13Å; N96-S98 PolarHBondContact OD1-OG 3.45Å; N96-D99 WeakPolarHBondContact CB-OD2 3.49Å; N96-D99 PolarHBondContact ND2-OD1 3.04Å; N96-D99 VanDerWaalsContact ND2-OD1 3.11Å; N96-D99 PolarHBondContact ND2-OD2 3.37Å; N96-D99 PolarHBondContact O-N 2.89Å
97	A	92.5	Very high	92.8	Very high	9 Å²	9	57.3 Å²	57.3	7%	0.074	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-59	-29.8	179.7	0	0	0	0	0	112.7	W95 D99 Y100 N102 I103 R104	W95-A97 PolarHBondContact O-N 2.88Å; A97-D99 VanDerWaalsContact C-N 3.25Å; A97-D99 PolarHBondContact O-N 2.87Å; A97-Y100 CarbonylContact O-C 3.54Å; A97-Y100 PolarHBondContact O-N 3.31Å; A97-Y100 VanDerWaalsContact O-N 3.16Å; A97-N102 WeakPolarHBondContact O-CA 3.37Å; A97-N102 PolarHBondContact O-N 3.24Å; A97-I103 WeakPolarHBondContact CB-O 3.43Å; A97-R104 HydrophobicContact CB-CG 4.12Å
98	S	91.9	Very high	92.7	Very high	79 Å²	79	55 Å²	55	55%	0.552	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-58.5	-36	-179.7	-38.4	0	0	0	0	112.7	N96 Y100	N96-S98 PolarHBondContact O-N 3.41Å; N96-S98 VanDerWaalsContact OD1-CB 3.26Å; N96-S98 WeakPolarHBondContact OD1-CB 3.49Å; N96-S98 PolarHBondContact OD1-N 3.43Å; N96-S98 VanDerWaalsContact OD1-N 3.13Å; N96-S98 PolarHBondContact OD1-OG 3.45Å; S98-Y100 PolarHBondContact O-N 2.92Å
99	D	91.1	Very high	92.7	Very high	93 Å²	93	56.6 Å²	56.6	50%	0.497	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-79.9	-5.1	-175.5	-55.8	-29.9	0	0	0	112.7	R29 N96 A97	R29-D99 PolarHBondContact NH2-O 3.48Å; N96-D99 WeakPolarHBondContact CB-OD2 3.49Å; N96-D99 PolarHBondContact ND2-OD1 3.04Å; N96-D99 VanDerWaalsContact ND2-OD1 3.11Å; N96-D99 PolarHBondContact ND2-OD2 3.37Å; N96-D99 PolarHBondContact O-N 2.89Å; A97-D99 VanDerWaalsContact C-N 3.25Å; A97-D99 PolarHBondContact O-N 2.87Å
100	Y	90.6	Very high	92.6	Very high	26 Å²	26	54.4 Å²	54.4	10%	0.102	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-136.1	48.1	-177.1	-59.7	-87.2	0	0	0	110.9	R29 L30 Y33 A97 S98 N102 I103	R29-Y100 HydrophobicContact CB-CE1 4.35Å; R29-Y100 HydrophobicContact CG-CE1 4.07Å; L30-Y100 HydrophobicContact CB-CD1 3.61Å; L30-Y100 HydrophobicContact CB-CE1 3.87Å; L30-Y100 HydrophobicContact CB-CG 4.09Å; L30-Y100 HydrophobicContact CD1-CD1 4.21Å; L30-Y100 HydrophobicContact CD1-CD2 3.96Å; L30-Y100 HydrophobicContact CD1-CE1 4.15Å; L30-Y100 HydrophobicContact CD1-CE2 3.91Å; L30-Y100 HydrophobicContact CD1-CG 4.1Å; L30-Y100 HydrophobicContact CG-CD1 4.44Å; Y33-Y100 VanDerWaalsContact CD1-OH 3.24Å; Y33-Y100 WeakPolarHBondContact CD1-OH 3.24Å; A97-Y100 CarbonylContact O-C 3.54Å; A97-Y100 PolarHBondContact O-N 3.31Å; A97-Y100 VanDerWaalsContact O-N 3.16Å; S98-Y100 PolarHBondContact O-N 2.92Å; Y100-N102 PolarHBondContact O-N 3.15Å; Y100-N102 VanDerWaalsContact O-N 3.15Å; Y100-I103 WeakPolarHBondContact O-CB 3.3Å; Y100-I103 WeakPolarHBondContact O-CD1 3.42Å; Y100-I103 WeakPolarHBondContact O-CG1 3.4Å; Y100-I103 PolarHBondContact O-N 2.89Å
101	E	87	Confident	92.5	Very high	117 Å²	117	60.6 Å²	60.6	55%	0.547	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	34.9	173.2	-63.5	179	146.2	0	0	114.4	S26 I103	S26-E101 WeakPolarHBondContact CB-OE2 3.41Å; S26-E101 PolarHBondContact OG-OE2 3.39Å; E101-I103 VanDerWaalsContact C-N 3.33Å; E101-I103 PolarHBondContact O-N 2.88Å
102	N	90.5	Very high	92.5	Very high	105 Å²	105	65.2 Å²	65.2	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	26.1	-176.7	-62.7	-66.9	0	0	0	115.3	A97 Y100 R104	A97-N102 WeakPolarHBondContact O-CA 3.37Å; A97-N102 PolarHBondContact O-N 3.24Å; Y100-N102 PolarHBondContact O-N 3.15Å; Y100-N102 VanDerWaalsContact O-N 3.15Å; N102-R104 PolarHBondContact O-N 2.98Å
103	I	91	Very high	92.5	Very high	36 Å²	36	65.2 Å²	65.2	19%	0.185	32%	0.316	C	S	.	.			trans	-62.5	108.2	167.2	-66.7	166.5	0	0	0	109.3	E27 L30 W95 A97 Y100 E101 Q105 I106	E27-I103 HydrophobicContact CB-CD1 3.89Å; L30-I103 HydrophobicContact CD2-CB 4.39Å; L30-I103 HydrophobicContact CD2-CG2 3.75Å; W95-I103 HydrophobicContact CZ2-CG2 4.41Å; W95-I103 PolarHBondContact NE1-O 3.07Å; A97-I103 WeakPolarHBondContact CB-O 3.43Å; Y100-I103 WeakPolarHBondContact O-CB 3.3Å; Y100-I103 WeakPolarHBondContact O-CD1 3.42Å; Y100-I103 WeakPolarHBondContact O-CG1 3.4Å; Y100-I103 PolarHBondContact O-N 2.89Å; E101-I103 VanDerWaalsContact C-N 3.33Å; E101-I103 PolarHBondContact O-N 2.88Å; I103-Q105 WeakPolarHBondContact CG2-O 3.39Å; I103-I106 HydrophobicContact CG2-CG2 3.78Å
104	R	93	Very high	92.6	Very high	175 Å²	175	65.3 Å²	65.3	66%	0.66	32%	0.316	S	S	*	.			trans	-97.1	-17.7	179.1	-67.4	179.6	-174.8	-173.3	-0.8	114.3	A97 N102 R139 N140	A97-R104 HydrophobicContact CB-CG 4.12Å; N102-R104 PolarHBondContact O-N 2.98Å; R104-R139 CarbonylContact O-C 3.56Å; R104-R139 WeakPolarHBondContact O-CA 3.46Å; R104-N140 PolarHBondContact O-N 3.49Å
105	Q	94.7	Very high	92.6	Very high	121 Å²	121	64.5 Å²	64.5	57%	0.565	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.3	149.6	-179	68.3	-174.8	11.1	0	0	111.1	I103 V138	I103-Q105 WeakPolarHBondContact CG2-O 3.39Å; Q105-V138 CarbonylContact C-O 3.44Å; Q105-V138 VanDerWaalsContact CA-O 3.23Å; Q105-V138 WeakPolarHBondContact CA-O 3.33Å
106	I	94.5	Very high	92.6	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.015	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.2	174.4	61.4	-178.1	0	0	0	110.1	E27 L30 L31 L34 W95 I103 L108 V138	E27-I106 HydrophobicContact CG-CG2 4.37Å; L30-I106 HydrophobicContact CD2-CG2 3.79Å; L31-I106 HydrophobicContact CD2-CD1 4.13Å; L34-I106 HydrophobicContact CD1-CD1 3.41Å; L34-I106 VanDerWaalsContact CD1-CD1 3.41Å; W95-I106 HydrophobicContact CH2-CD1 3.94Å; W95-I106 HydrophobicContact CH2-CG1 3.82Å; W95-I106 HydrophobicContact CH2-CG2 4.38Å; W95-I106 HydrophobicContact CZ2-CG2 4.27Å; W95-I106 HydrophobicContact CZ3-CD1 4.08Å; W95-I106 HydrophobicContact CZ3-CG1 4.39Å; I103-I106 HydrophobicContact CG2-CG2 3.78Å; I106-L108 HydrophobicContact CD1-CD1 4.21Å; I106-L108 HydrophobicContact CD1-CD2 4.11Å; I106-L108 HydrophobicContact CD1-CG 4.2Å; I106-L108 HydrophobicContact CG1-CD2 4.43Å; I106-L108 HydrophobicContact CG1-CG 4.23Å; I106-V138 HydrophobicContact CG1-CB 4.02Å; I106-V138 PolarHBondContact N-O 2.84Å; I106-V138 PolarHBondContact O-N 2.87Å
107	N	94.9	Very high	92.5	Very high	85 Å²	85	61.8 Å²	61.8	46%	0.455	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	101.8	-176.8	-69.6	-16.4	0	0	0	111.1	K135 V136	N107-K135 HydrophobicContact CB-CD 4.13Å; N107-V136 CarbonylContact C-O 3.54Å; N107-V136 WeakPolarHBondContact CA-O 3.48Å
108	L	94.3	Very high	92.5	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	150.7	-174.7	-62.4	-178.1	0	0	0	112.4	L31 F35 F93 I106 I113 K135 V136 V138	L31-L108 HydrophobicContact CD2-CD2 3.52Å; F35-L108 HydrophobicContact CE2-CD1 4.4Å; F35-L108 HydrophobicContact CE2-CD2 3.96Å; F35-L108 HydrophobicContact CZ-CD1 4.05Å; F35-L108 HydrophobicContact CZ-CD2 4.26Å; F93-L108 HydrophobicContact CD1-CD1 4.32Å; F93-L108 HydrophobicContact CE1-CD1 3.83Å; F93-L108 HydrophobicContact CZ-CD1 4.29Å; I106-L108 HydrophobicContact CD1-CD1 4.21Å; I106-L108 HydrophobicContact CD1-CD2 4.11Å; I106-L108 HydrophobicContact CD1-CG 4.2Å; I106-L108 HydrophobicContact CG1-CD2 4.43Å; I106-L108 HydrophobicContact CG1-CG 4.23Å; L108-I113 HydrophobicContact CB-CG2 4.41Å; L108-I113 HydrophobicContact CD1-CG2 3.79Å; L108-K135 CarbonylContact O-C 3.54Å; L108-K135 WeakPolarHBondContact O-CA 3.33Å; L108-K135 WeakPolarHBondContact O-CB 3.42Å; L108-V136 PolarHBondContact N-O 3.47Å; L108-V136 PolarHBondContact O-N 2.85Å; L108-V138 HydrophobicContact CD1-CB 4.47Å; L108-V138 HydrophobicContact CD1-CG2 3.88Å; L108-V138 HydrophobicContact CG-CG2 4.31Å
109	P	94.6	Very high	92.6	Very high	39 Å²	39	59.6 Å²	59.6	25%	0.253	28%	0.279	S	S	.	.			trans	-74.9	138.6	169.7	33.2	-34.6	0	0	0	110.4	E111 R112	P109-E111 WeakPolarHBondContact CB-OE2 3.44Å; P109-E111 PolarHBondContact O-N 3.46Å; P109-R112 HydrophobicContact CG-CB 4.15Å; P109-R112 HydrophobicContact CG-CG 3.86Å; P109-R112 PolarHBondContact O-N 3.22Å
110	P	92.5	Very high	92.7	Very high	8 Å²	8	55.2 Å²	55.2	5%	0.052	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-66.8	-18.2	-171.3	27.3	-34.7	0	0	0	113.7	R112 K115 T134 V136 W146	P110-R112 PolarHBondContact O-N 3.5Å; P110-K115 HydrophobicContact CB-CD 4.11Å; P110-T134 WeakPolarHBondContact CD-O 3.22Å; P110-T134 WeakPolarHBondContact CG-O 3.48Å; P110-V136 HydrophobicContact CB-CG2 3.82Å; P110-W146 HydrophobicContact CB-CZ2 4.33Å
111	E	91.6	Very high	92.9	Very high	131 Å²	131	56.3 Å²	56.3	61%	0.612	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-79.5	-3.9	178.6	-46.5	78.6	-174.5	0	0	113.2	P109	P109-E111 WeakPolarHBondContact CB-OE2 3.44Å; P109-E111 PolarHBondContact O-N 3.46Å
112	R	91.3	Very high	93.2	Very high	155 Å²	155	52.1 Å²	52.1	59%	0.585	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-110	2.4	179.6	-68.8	-168.7	-176.6	-166.9	-0.3	114.5	F35 P109 P110	F35-R112 HydrophobicContact CE1-CB 4.31Å; F35-R112 WeakPolarHBondContact CE1-O 3.34Å; F35-R112 HydrophobicContact CZ-CB 4.23Å; P109-R112 HydrophobicContact CG-CB 4.15Å; P109-R112 HydrophobicContact CG-CG 3.86Å; P109-R112 PolarHBondContact O-N 3.22Å; P110-R112 PolarHBondContact O-N 3.5Å
113	I	93.3	Very high	93.4	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	22%	0.218	C	C	.	.	S	Bend	trans	-130.8	160.4	177	68.5	168	0	0	0	109.8	H43 W88 F93 L108 V136 I144	H43-I113 WeakPolarHBondContact NE2-CA 3.21Å; W88-I113 HydrophobicContact CZ2-CD1 3.99Å; F93-I113 HydrophobicContact CE1-CG2 4.49Å; F93-I113 HydrophobicContact CE2-CB 4.37Å; F93-I113 HydrophobicContact CE2-CG2 3.96Å; F93-I113 HydrophobicContact CZ-CB 4.47Å; F93-I113 HydrophobicContact CZ-CG2 3.65Å; L108-I113 HydrophobicContact CB-CG2 4.41Å; L108-I113 HydrophobicContact CD1-CG2 3.79Å; I113-V136 HydrophobicContact CD1-CB 3.92Å; I113-V136 HydrophobicContact CD1-CG1 3.68Å; I113-V136 HydrophobicContact CD1-CG2 3.85Å; I113-I144 HydrophobicContact CD1-CD1 4.27Å; I113-I144 HydrophobicContact CD1-CG2 4.17Å
114	W	95	Very high	93.5	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.011	23%	0.227	C	C	.	.			trans	-64.1	137.2	165.6	-179.6	87.1	0	0	0	110.3	H43 P45 E47 R48 P49 V57 V59 W88 P116 Y179 V184	H43-W114 PolarHBondContact NE2-N 3.39Å; P45-W114 WeakPolarHBondContact O-CA 3.42Å; E47-W114 WeakPolarHBondContact O-CB 3.21Å; E47-W114 VanDerWaalsContact O-CG 3.28Å; R48-W114 HydrophobicContact CG-CZ2 4.36Å; P49-W114 HydrophobicContact CG-CD2 4.17Å; P49-W114 HydrophobicContact CG-CE3 3.68Å; P49-W114 HydrophobicContact CG-CZ3 4.16Å; V57-W114 HydrophobicContact CB-CH2 4.16Å; V57-W114 HydrophobicContact CG1-CH2 3.92Å; V57-W114 HydrophobicContact CG1-CZ3 3.89Å; V57-W114 HydrophobicContact CG2-CH2 4.14Å; V57-W114 HydrophobicContact CG2-CZ2 4.48Å; V59-W114 HydrophobicContact CG2-CH2 4.36Å; W88-W114 AromaticContact CD1-CZ3 3.99Å; W88-W114 HydrophobicContact CG-CZ3 4.34Å; W88-W114 WeakPolarHBondContact CZ2-O 3.48Å; W88-W114 AromaticContact NE1-CE3 3.77Å; W88-W114 AromaticContact NE1-CZ3 3.98Å; W114-P116 HydrophobicContact CH2-CB 4.14Å; W114-Y179 AromaticContact CZ2-CE2 3.9Å; W114-Y179 HydrophobicContact CZ2-CE2 3.9Å; W114-Y179 AromaticContact NE1-CZ 3.8Å; W114-Y179 PolarHBondContact NE1-OH 3.19Å; W114-V184 HydrophobicContact CH2-CG2 4.2Å; W114-V184 HydrophobicContact CZ2-CG2 4.07Å
115	K	93.2	Very high	93.3	Very high	70 Å²	70	41.2 Å²	41.2	30%	0.304	21%	0.206	S	C	.	.			trans	-142	147.6	173.9	74.6	-174.2	-172.1	70.2	0	110.4	W88 P110 W146	W88-K115 HydrophobicContact CH2-CB 4.4Å; W88-K115 HydrophobicContact CZ2-CB 4.43Å; P110-K115 HydrophobicContact CB-CD 4.11Å; K115-W146 HydrophobicContact CD-CH2 3.98Å; K115-W146 HydrophobicContact CD-CZ3 3.98Å
116	P	93.5	Very high	92.9	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	22%	0.222	C	C	.	.			trans	-69	154.7	175	29.7	-35.4	0	0	0	112.3	V59 W114 I118 T176	V59-P116 HydrophobicContact CG1-CG 4.15Å; V59-P116 HydrophobicContact CG2-CG 4.45Å; W114-P116 HydrophobicContact CH2-CB 4.14Å; P116-I118 HydrophobicContact CB-CD1 3.98Å; P116-I118 HydrophobicContact CB-CG1 4.29Å; P116-I118 HydrophobicContact CG-CD1 4.32Å; P116-I118 HydrophobicContact CG-CG1 4.26Å; P116-I118 PolarHBondContact O-N 2.77Å; P116-T176 HydrophobicContact CB-CG2 4.46Å
117	D	91.1	Very high	92.4	Very high	33 Å²	33	52 Å²	52	18%	0.176	25%	0.254	C	S	.	.			trans	-97.4	57.8	-175.5	64.1	-25	0	0	0	112.4	L119 T176 W177 T178 Y179	D117-L119 PolarHBondContact O-N 3.01Å; D117-T176 WeakPolarHBondContact OD1-CA 3.48Å; D117-T176 WeakPolarHBondContact OD1-CB 3.29Å; D117-T176 WeakPolarHBondContact OD1-CG2 3.08Å; D117-W177 PolarHBondContact O-N 2.97Å; D117-W177 PolarHBondContact OD1-N 3.22Å; D117-W177 PolarHBondContact OD2-N 3.2Å; D117-T178 WeakPolarHBondContact OD2-CB 3.31Å; D117-T178 PolarHBondContact OD2-N 3.32Å; D117-T178 PolarHBondContact OD2-OG1 2.8Å; D117-Y179 WeakPolarHBondContact OD1-CD2 3.5Å
118	I	92.6	Very high	91.7	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	111.3	-178.5	-46.9	-56.4	0	0	0	110.5	L84 L86 P116 L174 G175 T176 L186	L84-I118 HydrophobicContact CD1-CG2 4.29Å; L86-I118 HydrophobicContact CD1-CG1 4.01Å; L86-I118 HydrophobicContact CD2-CD1 4.47Å; L86-I118 HydrophobicContact CD2-CG1 4.07Å; P116-I118 HydrophobicContact CB-CD1 3.98Å; P116-I118 HydrophobicContact CB-CG1 4.29Å; P116-I118 HydrophobicContact CG-CD1 4.32Å; P116-I118 HydrophobicContact CG-CG1 4.26Å; P116-I118 PolarHBondContact O-N 2.77Å; I118-L174 HydrophobicContact CG2-CB 4.12Å; I118-G175 WeakPolarHBondContact CA-O 3.16Å; I118-T176 HydrophobicContact CD1-CG2 3.99Å; I118-L186 HydrophobicContact CD1-CD1 4.11Å; I118-L186 HydrophobicContact CD1-CD2 3.7Å; I118-L186 HydrophobicContact CD1-CG 4.48Å
119	L	93.4	Very high	90.9	Very high	36 Å²	36	56.4 Å²	56.4	19%	0.188	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.9	178.6	-65.3	178	0	0	0	111.7	D117 F128 D129 L174 G175 W177	D117-L119 PolarHBondContact O-N 3.01Å; L119-F128 HydrophobicContact CD2-CB 4.48Å; L119-D129 HydrophobicContact CD2-CB 4.09Å; L119-L174 WeakPolarHBondContact O-CA 3.5Å; L119-G175 PolarHBondContact N-O 2.7Å; L119-G175 PolarHBondContact O-N 3.29Å; L119-G175 VanDerWaalsContact O-N 3.08Å; L119-W177 HydrophobicContact CD1-CB 4Å; L119-W177 HydrophobicContact CD1-CG 4.27Å
120	L	94.7	Very high	90.1	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	112.5	175.3	179	70	0	0	0	110.3	N122 S123 F152 H153 M172 K173 L174	L120-N122 WeakPolarHBondContact CD1-OD1 3.39Å; L120-S123 WeakPolarHBondContact O-CB 3.43Å; L120-S123 PolarHBondContact O-N 2.86Å; L120-F152 HydrophobicContact CB-CD1 4.02Å; L120-F152 HydrophobicContact CB-CE1 4.37Å; L120-F152 HydrophobicContact CD2-CB 4.22Å; L120-F152 HydrophobicContact CD2-CD1 4.09Å; L120-H153 WeakPolarHBondContact CD2-O 3.37Å; L120-M172 HydrophobicContact CD1-CB 3.95Å; L120-K173 CarbonylContact C-O 3.25Å; L120-K173 WeakPolarHBondContact CA-O 3.44Å; L120-L174 HydrophobicContact CB-CD2 4.08Å; L120-L174 HydrophobicContact CD1-CD2 4.17Å
121	Y	93.4	Very high	89.9	Confident	50 Å²	50	56.7 Å²	56.7	20%	0.196	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-37.4	-176.3	-65.8	3.1	0	0	0	112.4	S123 K173 T176 W177 D241	Y121-S123 VanDerWaalsContact C-N 3.31Å; Y121-S123 PolarHBondContact O-N 3.21Å; Y121-K173 PolarHBondContact N-O 3.47Å; Y121-T176 PolarHBondContact OH-O 3.45Å; Y121-T176 VanDerWaalsContact OH-O 3.09Å; Y121-W177 HydrophobicContact CD1-CE3 4.02Å; Y121-W177 HydrophobicContact CD1-CZ3 4.11Å; Y121-W177 HydrophobicContact CE1-CE3 4.01Å; Y121-W177 HydrophobicContact CE1-CZ3 4.47Å; Y121-D241 HydrophobicContact CE2-CB 4.21Å
122	N	94.8	Very high	89.7	Confident	28 Å²	28	56.6 Å²	56.6	15%	0.15	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	41.1	175.7	66.8	-55.2	0	0	0	112.7	L120 S154 I155 I171 K173	L120-N122 WeakPolarHBondContact CD1-OD1 3.39Å; N122-S154 WeakPolarHBondContact O-CA 3.46Å; N122-I155 PolarHBondContact ND2-O 3.38Å; N122-I155 PolarHBondContact O-N 3.31Å; N122-I171 PolarHBondContact ND2-O 3.24Å; N122-K173 PolarHBondContact OD1-N 3.03Å
123	S	94.9	Very high	89.5	Confident	13 Å²	13	53.9 Å²	53.9	9%	0.091	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-65.8	131.9	175.7	-178.9	0	0	0	0	111.7	L120 Y121 S125 Q130 H153	L120-S123 WeakPolarHBondContact O-CB 3.43Å; L120-S123 PolarHBondContact O-N 2.86Å; Y121-S123 VanDerWaalsContact C-N 3.31Å; Y121-S123 PolarHBondContact O-N 3.21Å; S123-S125 PolarHBondContact OG-N 3.07Å; S123-S125 VanDerWaalsContact OG-N 3.12Å; S123-S125 PolarHBondContact OG-O 3.36Å; S123-Q130 PolarHBondContact OG-NE2 3.22Å; S123-H153 WeakPolarHBondContact CA-O 3.5Å
124	A	92.7	Very high	89.4	Confident	45 Å²	45	55.6 Å²	55.6	37%	0.372	28%	0.282	S	S	.	.			trans	-89.7	-11.7	167.2	0	0	0	0	0	112.8	V77 H153 I155	V77-A124 HydrophobicContact CB-CB 4.36Å; V77-A124 HydrophobicContact CG1-CB 3.8Å; V77-A124 HydrophobicContact CG2-CB 3.61Å; A124-H153 HydrophobicContact CB-CB 4.4Å; A124-H153 PolarHBondContact N-O 2.87Å; A124-I155 HydrophobicContact CB-CG1 3.86Å
125	S	88.9	Confident	89.5	Confident	30 Å²	30	62.3 Å²	62.3	21%	0.21	31%	0.311	C	S	.	.	S	Bend	trans	-85.2	139.4	-179.1	171.4	0	0	0	0	112	S123 K127	S123-S125 PolarHBondContact OG-N 3.07Å; S123-S125 VanDerWaalsContact OG-N 3.12Å; S123-S125 PolarHBondContact OG-O 3.36Å; S125-K127 WeakPolarHBondContact CB-O 3.5Å; S125-K127 PolarHBondContact O-N 2.84Å; S125-K127 PolarHBondContact OG-N 3.48Å; S125-K127 VanDerWaalsContact OG-N 3.08Å; S125-K127 PolarHBondContact OG-O 3.47Å
126	E	84.6	Confident	89.6	Confident	193 Å²	193	59 Å²	59	90%	0.902	30%	0.296	S	S	*	.	S	Bend	trans	-56	-29.4	169.2	-62.1	-175.3	162	0	0	112.6
127	K	84.8	Confident	89.7	Confident	157 Å²	157	61.7 Å²	61.7	68%	0.683	31%	0.311	S	S	*	.			trans	-98.6	110.2	173.6	-64.4	179.5	-176	175.3	0	108.3	S125 Q130	S125-K127 WeakPolarHBondContact CB-O 3.5Å; S125-K127 PolarHBondContact O-N 2.84Å; S125-K127 PolarHBondContact OG-N 3.48Å; S125-K127 VanDerWaalsContact OG-N 3.08Å; S125-K127 PolarHBondContact OG-O 3.47Å; K127-Q130 WeakPolarHBondContact O-CG 3.23Å; K127-Q130 PolarHBondContact O-NE2 2.96Å
128	F	79.6	Confident	90	Very high	92 Å²	92	60.1 Å²	60.1	40%	0.404	30%	0.302	S	S	.	.	S	Bend	trans	-72.9	-41.7	177.4	-75.4	-100.2	0	0	0	111.9	L119 Q130	L119-F128 HydrophobicContact CD2-CB 4.48Å; F128-Q130 PolarHBondContact O-N 3.31Å; F128-Q130 PolarHBondContact O-NE2 2.91Å
129	D	79.5	Confident	90.2	Very high	90 Å²	90	65.9 Å²	65.9	48%	0.481	32%	0.323	S	S	.	.			trans	-77.1	107.9	169	-167.2	-7.7	0	0	0	109.4	L119 I131	L119-D129 HydrophobicContact CD2-CB 4.09Å; D129-I131 WeakPolarHBondContact OD1-CB 3.47Å; D129-I131 PolarHBondContact OD1-N 3.4Å; D129-I131 VanDerWaalsContact OD1-N 3.11Å
130	Q	77.5	Confident	90.2	Very high	25 Å²	25	66.3 Å²	66.3	12%	0.117	33%	0.326	C	S	.	.			trans	-119.4	17.7	-179.7	-58.5	159.8	82.7	0	0	110.8	S123 K127 F128 G150 L151 H153	S123-Q130 PolarHBondContact OG-NE2 3.22Å; K127-Q130 WeakPolarHBondContact O-CG 3.23Å; K127-Q130 PolarHBondContact O-NE2 2.96Å; F128-Q130 PolarHBondContact O-N 3.31Å; F128-Q130 PolarHBondContact O-NE2 2.91Å; Q130-G150 WeakPolarHBondContact O-CA 3.47Å; Q130-L151 WeakPolarHBondContact CB-O 3.22Å; Q130-L151 PolarHBondContact O-N 3.4Å; Q130-L151 PolarHBondContact OE1-O 3.39Å; Q130-L151 VanDerWaalsContact OE1-O 3.09Å; Q130-H153 PolarHBondContact OE1-CD2 2.93Å; Q130-H153 VanDerWaalsContact OE1-CD2 3.3Å; Q130-H153 VanDerWaalsContact OE1-N 3.16Å
131	I	87.9	Confident	90.2	Very high	27 Å²	27	69.7 Å²	69.7	14%	0.138	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-89.5	127.5	-173.9	-58.1	-178	0	0	0	109.1	L84 D129 W146 P148 F152	L84-I131 HydrophobicContact CD1-CD1 4.42Å; D129-I131 WeakPolarHBondContact OD1-CB 3.47Å; D129-I131 PolarHBondContact OD1-N 3.4Å; D129-I131 VanDerWaalsContact OD1-N 3.11Å; I131-W146 HydrophobicContact CG2-CH2 4.04Å; I131-W146 HydrophobicContact CG2-CZ2 4.12Å; I131-P148 HydrophobicContact CG2-CB 3.33Å; I131-P148 HydrophobicContact CG2-CG 3.44Å; I131-P148 VanDerWaalsContact CG2-CG 3.44Å; I131-F152 HydrophobicContact CD1-CZ 4.5Å; I131-F152 HydrophobicContact CG1-CZ 4.04Å
132	F	87.6	Confident	90.2	Very high	129 Å²	129	67.3 Å²	67.3	57%	0.566	34%	0.335	S	S	*	.			trans	-73.4	135.5	176.7	-81	-95.6	0	0	0	111.1	T134 P148 P149	F132-T134 PolarHBondContact O-N 3.44Å; F132-P148 WeakPolarHBondContact O-CB 3.36Å; F132-P149 HydrophobicContact CB-CG 4.09Å; F132-P149 PolarHBondContact N-O 3.44Å
133	P	85.8	Confident	90.2	Very high	99 Å²	99	70.7 Å²	70.7	64%	0.643	35%	0.35	S	S	*	.			trans	-73.9	85.2	-177.9	29.7	-35.3	0	0	0	111.7
134	T	92.9	Very high	90.3	Very high	40 Å²	40	70.2 Å²	70.2	25%	0.245	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-85.6	155.2	169.8	59.9	0	0	0	0	111.4	P110 F132 W146 P148	P110-T134 WeakPolarHBondContact CD-O 3.22Å; P110-T134 WeakPolarHBondContact CG-O 3.48Å; F132-T134 PolarHBondContact O-N 3.44Å; T134-W146 PolarHBondContact O-NE1 2.77Å; T134-W146 VanDerWaalsContact O-NE1 3.16Å; T134-W146 PolarHBondContact OG1-NE1 2.73Å; T134-W146 VanDerWaalsContact OG1-NE1 3.12Å; T134-P148 HydrophobicContact CG2-CB 4.5Å; T134-P148 WeakPolarHBondContact OG1-CA 3.31Å
135	K	95.3	Very high	90.4	Very high	144 Å²	144	70 Å²	70	63%	0.626	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-67.3	148.6	171	-68	-172.4	-178.8	-175.5	0	111.1	N107 L108	N107-K135 HydrophobicContact CB-CD 4.13Å; L108-K135 CarbonylContact O-C 3.54Å; L108-K135 WeakPolarHBondContact O-CA 3.33Å; L108-K135 WeakPolarHBondContact O-CB 3.42Å
136	V	95.9	Very high	90.7	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	136.2	175.7	-173.2	0	0	0	0	109.4	W88 N107 L108 P110 I113 V138 I144 Q145 W146	W88-V136 HydrophobicContact CH2-CG1 4.44Å; N107-V136 CarbonylContact C-O 3.54Å; N107-V136 WeakPolarHBondContact CA-O 3.48Å; L108-V136 PolarHBondContact N-O 3.47Å; L108-V136 PolarHBondContact O-N 2.85Å; P110-V136 HydrophobicContact CB-CG2 3.82Å; I113-V136 HydrophobicContact CD1-CB 3.92Å; I113-V136 HydrophobicContact CD1-CG1 3.68Å; I113-V136 HydrophobicContact CD1-CG2 3.85Å; V136-V138 HydrophobicContact CG1-CG2 4.32Å; V136-I144 HydrophobicContact CG1-CG2 3.25Å; V136-Q145 WeakPolarHBondContact CG1-O 3.26Å; V136-W146 HydrophobicContact CG1-CB 4.05Å; V136-W146 HydrophobicContact CG2-CB 4.13Å; V136-W146 HydrophobicContact CG2-CD2 4.43Å; V136-W146 HydrophobicContact CG2-CG 3.79Å
137	I	96.7	Very high	91.2	Very high	59 Å²	59	62.2 Å²	62.2	30%	0.303	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.6	174.5	-52.8	175.6	0	0	0	107.8	Q145	I137-Q145 PolarHBondContact N-O 2.83Å; I137-Q145 PolarHBondContact O-N 2.98Å
138	V	96.5	Very high	91.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.3	177	178.7	0	0	0	0	109.1	F93 W95 Q105 I106 L108 V136 I144	F93-V138 HydrophobicContact CB-CG1 3.66Å; F93-V138 HydrophobicContact CD1-CG1 4.32Å; F93-V138 HydrophobicContact CG-CG1 4.01Å; W95-V138 HydrophobicContact CH2-CG1 4.32Å; W95-V138 HydrophobicContact CZ3-CG1 4Å; Q105-V138 CarbonylContact C-O 3.44Å; Q105-V138 VanDerWaalsContact CA-O 3.23Å; Q105-V138 WeakPolarHBondContact CA-O 3.33Å; I106-V138 HydrophobicContact CG1-CB 4.02Å; I106-V138 PolarHBondContact N-O 2.84Å; I106-V138 PolarHBondContact O-N 2.87Å; L108-V138 HydrophobicContact CD1-CB 4.47Å; L108-V138 HydrophobicContact CD1-CG2 3.88Å; L108-V138 HydrophobicContact CG-CG2 4.31Å; V136-V138 HydrophobicContact CG1-CG2 4.32Å; V138-I144 HydrophobicContact CG1-CD1 4.47Å; V138-I144 HydrophobicContact CG1-CG1 4.2Å; V138-I144 HydrophobicContact CG2-CD1 4.01Å; V138-I144 HydrophobicContact CG2-CG1 4Å; V138-I144 HydrophobicContact CG2-CG2 4.18Å
139	R	96.4	Very high	92.5	Very high	125 Å²	125	52.2 Å²	52.2	47%	0.472	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	154.1	178.2	-63.8	-176.2	-178	-174	4.1	111.3	R104 N141 G142 H143	R104-R139 CarbonylContact O-C 3.56Å; R104-R139 WeakPolarHBondContact O-CA 3.46Å; R139-N141 WeakPolarHBondContact CB-OD1 3.3Å; R139-N141 PolarHBondContact O-N 3.47Å; R139-G142 PolarHBondContact O-N 2.96Å; R139-H143 PolarHBondContact N-O 3.09Å
140	N	94.9	Very high	93.1	Very high	45 Å²	45	48 Å²	48	24%	0.241	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.6	-175.1	83.3	-87.8	0	0	0	114.7	W95 R104 G142	W95-N140 HydrophobicContact CD2-CB 3.69Å; W95-N140 HydrophobicContact CE3-CB 4.27Å; W95-N140 HydrophobicContact CG-CB 4.1Å; W95-N140 HydrophobicContact CH2-CB 4.11Å; W95-N140 HydrophobicContact CZ2-CB 3.52Å; W95-N140 HydrophobicContact CZ3-CB 4.45Å; W95-N140 PolarHBondContact N-O 2.86Å; W95-N140 WeakPolarHBondContact O-CB 3.31Å; W95-N140 PolarHBondContact O-ND2 2.88Å; W95-N140 VanDerWaalsContact O-ND2 3.08Å; W95-N140 VanDerWaalsContact O-O 3.11Å; R104-N140 PolarHBondContact O-N 3.49Å; N140-G142 VanDerWaalsContact C-N 3.3Å
141	N	94	Very high	93.9	Very high	72 Å²	72	49.5 Å²	49.5	39%	0.385	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	16.7	173.1	69.6	-25.7	0	0	0	113.2	H94 R139 H143	H94-N141 PolarHBondContact CE1-O 3.28Å; H94-N141 VanDerWaalsContact ND1-C 3.27Å; H94-N141 PolarHBondContact ND1-O 3.28Å; R139-N141 WeakPolarHBondContact CB-OD1 3.3Å; R139-N141 PolarHBondContact O-N 3.47Å; N141-H143 PolarHBondContact ND2-CD2 2.89Å; N141-H143 PolarHBondContact O-CD2 2.86Å; N141-H143 PolarHBondContact O-N 2.85Å
142	G	92.6	Very high	94.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.4	-5.7	178.3	0	0	0	0	0	114.8	S89 D90 R139 N140 I144	S89-G142 WeakPolarHBondContact CA-O 3.36Å; D90-G142 PolarHBondContact N-O 2.96Å; D90-G142 WeakPolarHBondContact O-CA 3.23Å; R139-G142 PolarHBondContact O-N 2.96Å; N140-G142 VanDerWaalsContact C-N 3.3Å; G142-I144 PolarHBondContact O-N 3.48Å
143	H	95.4	Very high	94.6	Very high	100 Å²	100	45 Å²	45	46%	0.463	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	129	175.3	-74.3	-114.7	0	0	0	110.7	R139 N141	R139-H143 PolarHBondContact N-O 3.09Å; N141-H143 PolarHBondContact ND2-CD2 2.89Å; N141-H143 PolarHBondContact O-CD2 2.86Å; N141-H143 PolarHBondContact O-N 2.85Å
144	I	96.3	Very high	95.1	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.1	-179.2	-58.3	-163.7	0	0	0	108.9	K87 W88 D90 F93 I113 V136 V138 G142	K87-I144 VanDerWaalsContact CA-O 3.3Å; K87-I144 WeakPolarHBondContact CA-O 3.23Å; W88-I144 HydrophobicContact CD2-CB 4.06Å; W88-I144 HydrophobicContact CD2-CG2 4.09Å; W88-I144 HydrophobicContact CE3-CG2 4.3Å; W88-I144 HydrophobicContact CG-CB 4.4Å; W88-I144 HydrophobicContact CH2-CG2 3.69Å; W88-I144 HydrophobicContact CZ2-CB 4.18Å; W88-I144 HydrophobicContact CZ2-CG2 3.42Å; W88-I144 VanDerWaalsContact CZ2-CG2 3.42Å; W88-I144 HydrophobicContact CZ3-CG2 4.11Å; W88-I144 PolarHBondContact N-O 2.68Å; W88-I144 VanDerWaalsContact N-O 3.09Å; W88-I144 PolarHBondContact O-N 3.44Å; D90-I144 HydrophobicContact CB-CD1 3.67Å; D90-I144 HydrophobicContact CB-CG1 4.32Å; F93-I144 HydrophobicContact CD2-CD1 3.89Å; F93-I144 HydrophobicContact CE2-CD1 4.42Å; I113-I144 HydrophobicContact CD1-CD1 4.27Å; I113-I144 HydrophobicContact CD1-CG2 4.17Å; V136-I144 HydrophobicContact CG1-CG2 3.25Å; V138-I144 HydrophobicContact CG1-CD1 4.47Å; V138-I144 HydrophobicContact CG1-CG1 4.2Å; V138-I144 HydrophobicContact CG2-CD1 4.01Å; V138-I144 HydrophobicContact CG2-CG1 4Å; V138-I144 HydrophobicContact CG2-CG2 4.18Å; G142-I144 PolarHBondContact O-N 3.48Å
145	Q	95.8	Very high	95.2	Very high	39 Å²	39	42.4 Å²	42.4	18%	0.182	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122.8	175	-175.1	178.5	10	0	0	110	D85 L86 K87 V136 I137 V147	D85-Q145 VanDerWaalsContact OD1-CG 3.28Å; D85-Q145 WeakPolarHBondContact OD1-CG 3.43Å; D85-Q145 PolarHBondContact OD1-NE2 3.4Å; D85-Q145 PolarHBondContact OD2-NE2 3.18Å; L86-Q145 WeakPolarHBondContact O-CA 3.36Å; K87-Q145 VanDerWaalsContact CE-CD 3.49Å; K87-Q145 HydrophobicContact CG-CB 4.16Å; K87-Q145 HydrophobicContact CG-CG 3.9Å; V136-Q145 WeakPolarHBondContact CG1-O 3.26Å; I137-Q145 PolarHBondContact N-O 2.83Å; I137-Q145 PolarHBondContact O-N 2.98Å; Q145-V147 HydrophobicContact CG-CG2 4.01Å
146	W	95.8	Very high	95.2	Very high	8 Å²	8	35.7 Å²	35.7	3%	0.03	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.8	174.7	-173.2	35.5	0	0	0	109.3	L84 L86 W88 P110 K115 I131 T134 V136 P148	L84-W146 VanDerWaalsContact O-O 3.07Å; L86-W146 HydrophobicContact CD1-CE3 3.82Å; L86-W146 HydrophobicContact CD1-CZ3 4.13Å; L86-W146 PolarHBondContact N-O 2.89Å; L86-W146 PolarHBondContact O-N 3.47Å; W88-W146 HydrophobicContact CH2-CB 3.91Å; W88-W146 HydrophobicContact CZ3-CB 3.87Å; P110-W146 HydrophobicContact CB-CZ2 4.33Å; K115-W146 HydrophobicContact CD-CH2 3.98Å; K115-W146 HydrophobicContact CD-CZ3 3.98Å; I131-W146 HydrophobicContact CG2-CH2 4.04Å; I131-W146 HydrophobicContact CG2-CZ2 4.12Å; T134-W146 PolarHBondContact O-NE1 2.77Å; T134-W146 VanDerWaalsContact O-NE1 3.16Å; T134-W146 PolarHBondContact OG1-NE1 2.73Å; T134-W146 VanDerWaalsContact OG1-NE1 3.12Å; V136-W146 HydrophobicContact CG1-CB 4.05Å; V136-W146 HydrophobicContact CG2-CB 4.13Å; V136-W146 HydrophobicContact CG2-CD2 4.43Å; V136-W146 HydrophobicContact CG2-CG 3.79Å; W146-P148 VanDerWaalsContact C-CD 3.48Å; W146-P148 HydrophobicContact CD2-CG 3.87Å; W146-P148 HydrophobicContact CE3-CG 4.22Å; W146-P148 HydrophobicContact CG-CG 4.4Å; W146-P148 HydrophobicContact CH2-CG 4.04Å; W146-P148 HydrophobicContact CZ2-CB 3.9Å; W146-P148 HydrophobicContact CZ2-CG 3.7Å; W146-P148 HydrophobicContact CZ3-CG 4.29Å
147	V	94.7	Very high	95	Very high	53 Å²	53	41.9 Å²	41.9	32%	0.321	21%	0.21	S	C	.	.			trans	-124.7	75.8	179.2	-164.5	0	0	0	0	109.8	W83 L84 D85 Q145	W83-V147 HydrophobicContact CB-CG1 4.37Å; L84-V147 WeakPolarHBondContact O-CA 3.27Å; D85-V147 HydrophobicContact CB-CG1 4.3Å; D85-V147 HydrophobicContact CB-CG2 4.13Å; D85-V147 WeakPolarHBondContact OD1-CG2 3.14Å; Q145-V147 HydrophobicContact CG-CG2 4.01Å
148	P	95.4	Very high	94.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.			trans	-82.7	142.5	172.5	35.1	-37.3	0	0	0	111.5	L84 I131 F132 T134 W146	L84-P148 PolarHBondContact N-O 3.17Å; L84-P148 WeakPolarHBondContact O-CD 3.36Å; I131-P148 HydrophobicContact CG2-CB 3.33Å; I131-P148 HydrophobicContact CG2-CG 3.44Å; I131-P148 VanDerWaalsContact CG2-CG 3.44Å; F132-P148 WeakPolarHBondContact O-CB 3.36Å; T134-P148 HydrophobicContact CG2-CB 4.5Å; T134-P148 WeakPolarHBondContact OG1-CA 3.31Å; W146-P148 VanDerWaalsContact C-CD 3.48Å; W146-P148 HydrophobicContact CD2-CG 3.87Å; W146-P148 HydrophobicContact CE3-CG 4.22Å; W146-P148 HydrophobicContact CG-CG 4.4Å; W146-P148 HydrophobicContact CH2-CG 4.04Å; W146-P148 HydrophobicContact CZ2-CB 3.9Å; W146-P148 HydrophobicContact CZ2-CG 3.7Å; W146-P148 HydrophobicContact CZ3-CG 4.29Å
149	P	95.1	Very high	94.4	Very high	38 Å²	38	45.7 Å²	45.7	25%	0.247	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	140.7	162	32.8	-29.3	0	0	0	109.7	L82 W83 F132	L82-P149 WeakPolarHBondContact O-CA 3.38Å; W83-P149 HydrophobicContact CG-CB 4.41Å; F132-P149 HydrophobicContact CB-CG 4.09Å; F132-P149 PolarHBondContact N-O 3.44Å
150	G	93.1	Very high	94.1	Very high	1 Å²	1	40 Å²	40	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.6	169.3	0	0	0	0	0	111	I81 L82 Q130 F152	I81-G150 WeakPolarHBondContact CA-O 3.3Å; L82-G150 PolarHBondContact N-O 3.39Å; L82-G150 PolarHBondContact O-N 2.86Å; Q130-G150 WeakPolarHBondContact O-CA 3.47Å; G150-F152 WeakPolarHBondContact O-CD2 3.28Å
151	L	94	Very high	93.6	Very high	57 Å²	57	40.4 Å²	40.4	30%	0.298	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	116.8	165.4	172.5	64.8	0	0	0	106.8	M69 T80 I81 Q130	M69-L151 HydrophobicContact CG-CD1 4.01Å; T80-L151 CarbonylContact O-C 3.49Å; T80-L151 WeakPolarHBondContact O-CA 3.4Å; I81-L151 HydrophobicContact CG1-CD1 4.06Å; Q130-L151 WeakPolarHBondContact CB-O 3.22Å; Q130-L151 PolarHBondContact O-N 3.4Å; Q130-L151 PolarHBondContact OE1-O 3.39Å; Q130-L151 VanDerWaalsContact OE1-O 3.09Å
152	F	94.9	Very high	93.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.2	-174.1	-71.7	-77.6	0	0	0	110.8	S79 T80 L82 L84 L120 I131 G150 L174	S79-F152 WeakPolarHBondContact CA-O 3.23Å; T80-F152 PolarHBondContact N-O 3.47Å; T80-F152 PolarHBondContact O-N 3.04Å; L82-F152 HydrophobicContact CB-CD2 3.83Å; L82-F152 HydrophobicContact CB-CE2 3.95Å; L82-F152 HydrophobicContact CD1-CD2 3.84Å; L82-F152 HydrophobicContact CD1-CE2 4.28Å; L82-F152 HydrophobicContact CD1-CG 4.43Å; L82-F152 HydrophobicContact CG-CD2 3.91Å; L82-F152 HydrophobicContact CG-CE2 4.45Å; L84-F152 HydrophobicContact CD1-CE2 4.31Å; L84-F152 HydrophobicContact CD1-CZ 3.94Å; L120-F152 HydrophobicContact CB-CD1 4.02Å; L120-F152 HydrophobicContact CB-CE1 4.37Å; L120-F152 HydrophobicContact CD2-CB 4.22Å; L120-F152 HydrophobicContact CD2-CD1 4.09Å; I131-F152 HydrophobicContact CD1-CZ 4.5Å; I131-F152 HydrophobicContact CG1-CZ 4.04Å; G150-F152 WeakPolarHBondContact O-CD2 3.28Å; F152-L174 HydrophobicContact CD1-CD2 4.36Å; F152-L174 HydrophobicContact CE1-CD2 3.94Å; F152-L174 HydrophobicContact CZ-CD2 4.29Å
153	H	95.4	Very high	92.9	Very high	59 Å²	59	42.8 Å²	42.8	27%	0.273	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	107.6	168.8	-60.6	-68.5	0	0	0	109.9	V77 S79 L120 S123 A124 Q130	V77-H153 HydrophobicContact CG1-CB 4.02Å; S79-H153 PolarHBondContact OG-CE1 3.44Å; S79-H153 PolarHBondContact OG-ND1 3.07Å; L120-H153 WeakPolarHBondContact CD2-O 3.37Å; S123-H153 WeakPolarHBondContact CA-O 3.5Å; A124-H153 HydrophobicContact CB-CB 4.4Å; A124-H153 PolarHBondContact N-O 2.87Å; Q130-H153 PolarHBondContact OE1-CD2 2.93Å; Q130-H153 VanDerWaalsContact OE1-CD2 3.3Å; Q130-H153 VanDerWaalsContact OE1-N 3.16Å
154	S	95.9	Very high	92.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.9	-175.4	60.4	0	0	0	0	112.1	V77 L78 N122 C156	V77-S154 CarbonylContact C-O 3.55Å; V77-S154 WeakPolarHBondContact CA-O 3.27Å; L78-S154 PolarHBondContact N-O 3.38Å; L78-S154 PolarHBondContact O-N 2.88Å; L78-S154 PolarHBondContact O-OG 2.9Å; N122-S154 WeakPolarHBondContact O-CA 3.46Å; S154-C156 PolarHBondContact O-N 3.38Å
155	I	95.7	Very high	92.1	Very high	85 Å²	85	39.7 Å²	39.7	44%	0.436	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.9	173.2	-57.3	171	0	0	0	108.6	N122 A124	N122-I155 PolarHBondContact ND2-O 3.38Å; N122-I155 PolarHBondContact O-N 3.31Å; A124-I155 HydrophobicContact CB-CG1 3.86Å
156	C	95.1	Very high	91.7	Very high	4 Å²	4	38 Å²	38	3%	0.027	19%	0.19	C	C	.	.			trans	-136.7	123.8	179.2	177.8	0	0	0	0	111.8	Q76 L78 S154 I158 C170	Q76-C156 WeakPolarHBondContact CB-O 3.3Å; Q76-C156 PolarHBondContact O-N 2.88Å; L78-C156 HydrophobicContact CB-CB 4.16Å; S154-C156 PolarHBondContact O-N 3.38Å; C156-I158 HydrophobicContact CB-CD1 4.41Å; C156-I158 PolarHBondContact O-N 2.97Å; C156-I158 VanDerWaalsContact O-N 3.12Å; C156-C170 HydrophobicContact CB-CB 3.74Å; C156-C170 WeakPolarHBondContact CB-SG 3.42Å; C156-C170 WeakPolarHBondContact SG-CA 3.38Å; C156-C170 WeakPolarHBondContact SG-CB 3.23Å; C156-C170 CovalentContact SG-SG 2.03Å; C156-C170 PolarHBondContact SG-SG 2.92Å
157	D	91.8	Very high	91.5	Very high	129 Å²	129	40.3 Å²	40.3	69%	0.69	21%	0.207	S	C	*	.			trans	-75.8	96.8	178.1	-68.2	-54.4	0	0	0	111.5	Q76 E159	Q76-D157 PolarHBondContact NE2-OD1 3.38Å; D157-E159 PolarHBondContact O-N 2.9Å
158	I	91.3	Very high	91.5	Very high	9 Å²	9	38 Å²	38	5%	0.046	19%	0.192	C	C	.	.			trans	-73.1	121.7	-177.8	-55.9	-56.7	0	0	0	111.8	V71 E73 C156 V160 Q168	V71-I158 HydrophobicContact CG1-CD1 4.13Å; E73-I158 HydrophobicContact CB-CG1 4.3Å; E73-I158 HydrophobicContact CB-CG2 4.18Å; E73-I158 HydrophobicContact CG-CG1 4.41Å; E73-I158 HydrophobicContact CG-CG2 4.12Å; C156-I158 HydrophobicContact CB-CD1 4.41Å; C156-I158 PolarHBondContact O-N 2.97Å; C156-I158 VanDerWaalsContact O-N 3.12Å; I158-V160 HydrophobicContact CG2-CG1 3.97Å; I158-V160 PolarHBondContact O-N 2.8Å; I158-Q168 HydrophobicContact CD1-CG 4.43Å
159	E	89.6	Confident	91.5	Very high	130 Å²	130	41.5 Å²	41.5	61%	0.607	21%	0.211	S	C	*	.			trans	-87.5	105.2	174.5	-73.9	-163.4	-148.5	0	0	111.6	D157 Q168	D157-E159 PolarHBondContact O-N 2.9Å; E159-Q168 PolarHBondContact O-NE2 3.19Å
160	V	88.9	Confident	91.5	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.036	20%	0.2	C	C	.	.			trans	-92.3	-0.3	-173	-62.8	0	0	0	0	115.5	I158 W162 F163 L305 P306 G311 P313	I158-V160 HydrophobicContact CG2-CG1 3.97Å; I158-V160 PolarHBondContact O-N 2.8Å; V160-W162 VanDerWaalsContact C-N 3.26Å; V160-W162 PolarHBondContact O-N 3.31Å; V160-W162 VanDerWaalsContact O-N 3.13Å; V160-F163 WeakPolarHBondContact O-CB 3.3Å; V160-F163 PolarHBondContact O-N 2.85Å; V160-L305 HydrophobicContact CB-CD2 4.12Å; V160-L305 HydrophobicContact CG1-CD2 3.95Å; V160-P306 HydrophobicContact CG1-CG 3.62Å; V160-G311 VanDerWaalsContact CG2-O 3.29Å; V160-G311 WeakPolarHBondContact CG2-O 3.33Å; V160-P313 HydrophobicContact CB-CG 3.98Å; V160-P313 HydrophobicContact CG2-CG 3.74Å; V160-P313 WeakPolarHBondContact O-CB 3.27Å
161	N	85.7	Confident	91.7	Very high	54 Å²	54	42.5 Å²	42.5	29%	0.289	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-40.6	-171.4	-66.7	-46.3	0	0	0	113.6	G311 V314	N161-G311 WeakPolarHBondContact OD1-CA 3.27Å; N161-V314 PolarHBondContact O-N 3.45Å
162	W	86.1	Confident	91.7	Very high	113 Å²	113	39.8 Å²	39.8	43%	0.428	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	7.5	-174.3	-64.6	117.4	0	0	0	115.1	V160 F165 V314 S713 A714	V160-W162 VanDerWaalsContact C-N 3.26Å; V160-W162 PolarHBondContact O-N 3.31Å; V160-W162 VanDerWaalsContact O-N 3.13Å; W162-F165 CarbonylContact O-C 3.55Å; W162-F165 WeakPolarHBondContact O-CA 3.26Å; W162-F165 PolarHBondContact O-N 3.42Å; W162-V314 HydrophobicContact CE3-CG2 4.35Å; W162-V314 HydrophobicContact CZ3-CG2 3.98Å; W162-S713 WeakPolarHBondContact CH2-O 3.47Å; W162-S713 WeakPolarHBondContact CZ3-O 3.3Å; W162-A714 HydrophobicContact CZ3-CB 4.36Å
163	F	86	Confident	91.7	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.039	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	131.6	-177.4	178.1	-90	0	0	0	112.5	V160 Y255 L305 L315	V160-F163 WeakPolarHBondContact O-CB 3.3Å; V160-F163 PolarHBondContact O-N 2.85Å; F163-Y255 HydrophobicContact CE1-CD1 4.19Å; F163-Y255 HydrophobicContact CE2-CD1 4.27Å; F163-Y255 HydrophobicContact CE2-CE1 4.04Å; F163-Y255 AromaticContact CZ-CD1 3.55Å; F163-Y255 HydrophobicContact CZ-CD1 3.55Å; F163-Y255 AromaticContact CZ-CE1 3.53Å; F163-Y255 HydrophobicContact CZ-CE1 3.53Å; F163-Y255 HydrophobicContact CZ-CG 4.49Å; F163-L305 HydrophobicContact CD1-CD2 4.34Å; F163-L305 HydrophobicContact CD2-CD2 4.21Å; F163-L305 HydrophobicContact CE2-CD2 4.49Å; F163-L305 HydrophobicContact CG-CD2 4.12Å; F163-L315 HydrophobicContact CD1-CD2 3.85Å; F163-L315 HydrophobicContact CE1-CD2 3.96Å
164	P	86.7	Confident	91.7	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.019	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.8	17.8	7.4	40.2	-38.8	0	0	0	114.6	D166 A252 Y255 I260	P164-D166 VanDerWaalsContact C-N 3.3Å; P164-D166 VanDerWaalsContact C-OD1 3.26Å; P164-D166 WeakPolarHBondContact CA-OD1 3.44Å; P164-A252 HydrophobicContact CB-CB 4.44Å; P164-A252 HydrophobicContact CG-CB 4.36Å; P164-A252 WeakPolarHBondContact O-CB 3.32Å; P164-Y255 VanDerWaalsContact CB-CB 3.44Å; P164-Y255 HydrophobicContact CB-CD1 4.25Å; P164-Y255 HydrophobicContact CB-CD2 4.18Å; P164-Y255 HydrophobicContact CB-CG 3.7Å; P164-Y255 HydrophobicContact CG-CG 4.41Å; P164-I260 HydrophobicContact CG-CD1 3.96Å
165	F	86.5	Confident	91.6	Very high	35 Å²	35	39.7 Å²	39.7	15%	0.154	20%	0.198	C	C	.	.	S	Bend	trans	-99.2	35.2	176.9	-60.5	-86.3	0	0	0	111.4	W162 A252 M256 I260 V717 A720	W162-F165 CarbonylContact O-C 3.55Å; W162-F165 WeakPolarHBondContact O-CA 3.26Å; W162-F165 PolarHBondContact O-N 3.42Å; F165-A252 HydrophobicContact CD1-CB 3.85Å; F165-A252 HydrophobicContact CE1-CB 3.86Å; F165-A252 HydrophobicContact CG-CB 4.41Å; F165-A252 HydrophobicContact CZ-CB 4.41Å; F165-M256 HydrophobicContact CE2-SD 3.97Å; F165-M256 HydrophobicContact CZ-CE 4.08Å; F165-M256 HydrophobicContact CZ-CG 4.03Å; F165-M256 HydrophobicContact CZ-SD 3.53Å; F165-M256 VanDerWaalsContact CZ-SD 3.53Å; F165-I260 HydrophobicContact CE2-CD1 4.3Å; F165-V717 HydrophobicContact CD2-CG2 4.14Å; F165-V717 HydrophobicContact CE2-CG2 3.69Å; F165-V717 HydrophobicContact CZ-CG2 3.96Å; F165-A720 HydrophobicContact CD1-CB 3.91Å; F165-A720 HydrophobicContact CE1-CB 3.78Å
166	D	89	Confident	91.5	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	18%	0.178	C	C	.	.			trans	-82.8	144.9	-178	52.9	-59.7	0	0	0	112.6	P164 Q168 R250	P164-D166 VanDerWaalsContact C-N 3.3Å; P164-D166 VanDerWaalsContact C-OD1 3.26Å; P164-D166 WeakPolarHBondContact CA-OD1 3.44Å; D166-Q168 PolarHBondContact OD2-NE2 3.42Å; D166-R250 PolarHBondContact O-N 3.42Å; D166-R250 IonicContact OD1-CZ 3.71Å; D166-R250 IonicContact OD1-NE 3.85Å; D166-R250 PolarHBondContact OD1-NE 2.99Å; D166-R250 IonicContact OD1-NH2 2.73Å; D166-R250 IonicContact OD2-CZ 2.77Å; D166-R250 IonicContact OD2-NE 2.82Å; D166-R250 PolarHBondContact OD2-NE 3.03Å; D166-R250 IonicContact OD2-NH2 3.19Å; D166-R250 PolarHBondContact OD2-NH2 3.39Å
167	S	91.2	Very high	91.2	Very high	56 Å²	56	42.5 Å²	42.5	39%	0.392	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.5	164.9	-54.8	0	0	0	0	107.5	M248 Q249	S167-M248 CarbonylContact C-O 3.58Å; S167-M248 VanDerWaalsContact CA-O 3.29Å; S167-M248 WeakPolarHBondContact CA-O 3.21Å; S167-Q249 WeakPolarHBondContact OG-CG 3.43Å; S167-Q249 PolarHBondContact OG-NE2 3.01Å
168	Q	94.3	Very high	91.2	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.019	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	147.2	-172.1	-55.8	-58.9	-20	0	0	110	I158 E159 D166 W218 Y247 M248	I158-Q168 HydrophobicContact CD1-CG 4.43Å; E159-Q168 PolarHBondContact O-NE2 3.19Å; D166-Q168 PolarHBondContact OD2-NE2 3.42Å; Q168-W218 HydrophobicContact CB-CZ3 4.44Å; Q168-W218 HydrophobicContact CG-CH2 3.58Å; Q168-W218 HydrophobicContact CG-CZ3 3.75Å; Q168-Y247 WeakPolarHBondContact O-CA 3.37Å; Q168-M248 HydrophobicContact CB-CE 3.84Å; Q168-M248 HydrophobicContact CB-CG 4.14Å; Q168-M248 HydrophobicContact CG-CE 4.34Å; Q168-M248 PolarHBondContact N-O 3.45Å; Q168-M248 PolarHBondContact O-N 3.06Å
169	N	94.4	Very high	91.2	Very high	74 Å²	74	42.5 Å²	42.5	40%	0.396	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	92.4	178.2	174.4	21	0	0	0	109.2	Y247	N169-Y247 HydrophobicContact CB-CD1 3.86Å; N169-Y247 HydrophobicContact CB-CE1 3.68Å; N169-Y247 PolarHBondContact ND2-OH 3.38Å; N169-Y247 WeakPolarHBondContact OD1-CE1 3.31Å
170	C	96.9	Very high	91.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	144.7	-178.9	-65.9	0	0	0	0	111.6	L78 C156 V246	L78-C170 HydrophobicContact CB-CB 4.32Å; L78-C170 HydrophobicContact CD2-CB 3.37Å; L78-C170 HydrophobicContact CG-CB 4.42Å; C156-C170 HydrophobicContact CB-CB 3.74Å; C156-C170 WeakPolarHBondContact CB-SG 3.42Å; C156-C170 WeakPolarHBondContact SG-CA 3.38Å; C156-C170 WeakPolarHBondContact SG-CB 3.23Å; C156-C170 CovalentContact SG-SG 2.03Å; C156-C170 PolarHBondContact SG-SG 2.92Å; C170-V246 PolarHBondContact N-O 3.48Å; C170-V246 PolarHBondContact O-N 2.7Å
171	I	95.7	Very high	91.3	Very high	59 Å²	59	39.3 Å²	39.3	30%	0.303	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.5	178.9	66.6	176.2	0	0	0	111.9	N122 T243 I244 Y245	N122-I171 PolarHBondContact ND2-O 3.24Å; I171-T243 HydrophobicContact CB-CG2 4.15Å; I171-T243 HydrophobicContact CG2-CG2 4.43Å; I171-I244 CarbonylContact C-O 3.48Å; I171-I244 VanDerWaalsContact CA-O 3.31Å; I171-I244 WeakPolarHBondContact CA-O 3.49Å; I171-Y245 HydrophobicContact CG2-CD1 3.51Å; I171-Y245 HydrophobicContact CG2-CE1 3.67Å; I171-Y245 HydrophobicContact CG2-CG 4.36Å
172	M	95.3	Very high	91.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.5	173.2	-61.8	-179.9	-69.2	0	0	108.8	T80 L82 L120 T243 I244 V246	T80-M172 HydrophobicContact CG2-CE 4.43Å; T80-M172 HydrophobicContact CG2-SD 4.19Å; T80-M172 PolarHBondContact OG1-SD 3.06Å; L82-M172 HydrophobicContact CD1-CE 3.94Å; L82-M172 HydrophobicContact CD1-SD 4.11Å; L82-M172 HydrophobicContact CD2-CE 4.11Å; L82-M172 HydrophobicContact CG-CE 4.47Å; L120-M172 HydrophobicContact CD1-CB 3.95Å; M172-T243 WeakPolarHBondContact O-CA 3.03Å; M172-I244 HydrophobicContact CB-CB 4.37Å; M172-I244 HydrophobicContact CE-CB 4.13Å; M172-I244 HydrophobicContact CE-CD1 4.29Å; M172-I244 HydrophobicContact CE-CG2 3.82Å; M172-I244 PolarHBondContact N-O 3.23Å; M172-I244 PolarHBondContact O-N 2.95Å; M172-V246 HydrophobicContact CE-CG2 3.69Å
173	K	94.7	Very high	91.8	Very high	56 Å²	56	38.7 Å²	38.7	24%	0.243	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	104	-177.4	-63.9	-161.3	170.9	-173.3	0	111.3	L120 Y121 N122 T243	L120-K173 CarbonylContact C-O 3.25Å; L120-K173 WeakPolarHBondContact CA-O 3.44Å; Y121-K173 PolarHBondContact N-O 3.47Å; N122-K173 PolarHBondContact OD1-N 3.03Å; K173-T243 HydrophobicContact CG-CG2 4.24Å
174	L	94.5	Very high	92.1	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.4	177.3	-64.2	170.4	0	0	0	109.9	L82 L84 I118 L119 L120 F152 V242 I244	L82-L174 HydrophobicContact CD1-CD1 4.26Å; L84-L174 HydrophobicContact CD1-CD1 4.42Å; L84-L174 HydrophobicContact CD2-CD1 3.77Å; I118-L174 HydrophobicContact CG2-CB 4.12Å; L119-L174 WeakPolarHBondContact O-CA 3.5Å; L120-L174 HydrophobicContact CB-CD2 4.08Å; L120-L174 HydrophobicContact CD1-CD2 4.17Å; F152-L174 HydrophobicContact CD1-CD2 4.36Å; F152-L174 HydrophobicContact CE1-CD2 3.94Å; F152-L174 HydrophobicContact CZ-CD2 4.29Å; L174-V242 PolarHBondContact N-O 2.99Å; L174-V242 PolarHBondContact O-N 2.95Å; L174-I244 HydrophobicContact CD1-CD1 4.02Å
175	G	93.7	Very high	92.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	169.3	178.3	0	0	0	0	0	113.3	I118 L119	I118-G175 WeakPolarHBondContact CA-O 3.16Å; L119-G175 PolarHBondContact N-O 2.7Å; L119-G175 PolarHBondContact O-N 3.29Å; L119-G175 VanDerWaalsContact O-N 3.08Å
176	T	93.6	Very high	92.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127	171.8	44.9	0	0	0	0	110.5	P116 D117 I118 Y121 Y179 V184 L186	P116-T176 HydrophobicContact CB-CG2 4.46Å; D117-T176 WeakPolarHBondContact OD1-CA 3.48Å; D117-T176 WeakPolarHBondContact OD1-CB 3.29Å; D117-T176 WeakPolarHBondContact OD1-CG2 3.08Å; I118-T176 HydrophobicContact CD1-CG2 3.99Å; Y121-T176 PolarHBondContact OH-O 3.45Å; Y121-T176 VanDerWaalsContact OH-O 3.09Å; T176-Y179 HydrophobicContact CG2-CD2 4.36Å; T176-Y179 PolarHBondContact OG1-O 2.9Å; T176-V184 HydrophobicContact CG2-CB 4.37Å; T176-V184 HydrophobicContact CG2-CG1 4.03Å; T176-L186 HydrophobicContact CG2-CD1 4.19Å
177	W	90.4	Very high	92.7	Very high	147 Å²	147	40.8 Å²	40.8	56%	0.557	21%	0.208	S	C	*	.	S	Bend	trans	-80.1	-39.4	-175.8	-170.8	-99.5	0	0	0	113.2	D117 L119 Y121	D117-W177 PolarHBondContact O-N 2.97Å; D117-W177 PolarHBondContact OD1-N 3.22Å; D117-W177 PolarHBondContact OD2-N 3.2Å; L119-W177 HydrophobicContact CD1-CB 4Å; L119-W177 HydrophobicContact CD1-CG 4.27Å; Y121-W177 HydrophobicContact CD1-CE3 4.02Å; Y121-W177 HydrophobicContact CD1-CZ3 4.11Å; Y121-W177 HydrophobicContact CE1-CE3 4.01Å; Y121-W177 HydrophobicContact CE1-CZ3 4.47Å
178	T	90.9	Very high	92.6	Very high	91 Å²	91	38.9 Å²	38.9	56%	0.558	19%	0.193	S	C	*	.	S	Bend	trans	-99.9	-30.8	-176.8	60.2	0	0	0	0	113.3	D117	D117-T178 WeakPolarHBondContact OD2-CB 3.31Å; D117-T178 PolarHBondContact OD2-N 3.32Å; D117-T178 PolarHBondContact OD2-OG1 2.8Å
179	Y	91.8	Very high	92	Very high	48 Å²	48	40 Å²	40	19%	0.188	20%	0.199	C	C	.	.			trans	-87.3	131.1	-178.6	-60.5	-65.2	0	0	0	113.1	R48 W114 D117 T176 V184 Y239	R48-Y179 HydrophobicContact CG-CE1 3.81Å; W114-Y179 AromaticContact CZ2-CE2 3.9Å; W114-Y179 HydrophobicContact CZ2-CE2 3.9Å; W114-Y179 AromaticContact NE1-CZ 3.8Å; W114-Y179 PolarHBondContact NE1-OH 3.19Å; D117-Y179 WeakPolarHBondContact OD1-CD2 3.5Å; T176-Y179 HydrophobicContact CG2-CD2 4.36Å; T176-Y179 PolarHBondContact OG1-O 2.9Å; Y179-V184 HydrophobicContact CD1-CG2 4.02Å; Y179-V184 HydrophobicContact CD2-CG2 3.66Å; Y179-V184 HydrophobicContact CE2-CG2 4.3Å; Y179-V184 HydrophobicContact CG-CB 4.27Å; Y179-V184 HydrophobicContact CG-CG2 3.49Å; Y179-V184 VanDerWaalsContact CG-CG2 3.49Å; Y179-Y239 WeakPolarHBondContact O-CD1 3.36Å
180	Q	91.3	Very high	90.9	Very high	56 Å²	56	38.2 Å²	38.2	26%	0.262	19%	0.191	S	C	.	.			trans	-80.8	161.6	168.8	-70	172.9	-2.9	0	0	111	N182 T183 V184 T238 Y239	Q180-N182 PolarHBondContact O-N 3.13Å; Q180-N182 VanDerWaalsContact O-N 3.09Å; Q180-T183 PolarHBondContact N-OG1 3.13Å; Q180-T183 PolarHBondContact O-N 2.79Å; Q180-T183 PolarHBondContact O-OG1 3.23Å; Q180-V184 PolarHBondContact O-N 3.09Å; Q180-T238 CarbonylContact C-O 3.58Å; Q180-T238 WeakPolarHBondContact CA-O 3.11Å; Q180-T238 WeakPolarHBondContact CB-O 3.4Å; Q180-Y239 HydrophobicContact CG-CD2 4.46Å; Q180-Y239 HydrophobicContact CG-CE1 4.12Å; Q180-Y239 HydrophobicContact CG-CE2 3.89Å
181	G	89.1	Confident	89.2	Confident	12 Å²	12	43.4 Å²	43.4	12%	0.124	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.5	-178.1	0	0	0	0	0	114.9	T183 V184 T238 I240	G181-T183 VanDerWaalsContact C-N 3.29Å; G181-T183 PolarHBondContact O-N 2.96Å; G181-V184 WeakPolarHBondContact CA-O 3.35Å; G181-T238 PolarHBondContact N-O 3.11Å; G181-I240 VanDerWaalsContact CA-CD1 3.48Å
182	N	88.8	Confident	87.2	Confident	114 Å²	114	47.4 Å²	47.4	61%	0.61	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.1	174.5	-67.9	-23.5	0	0	0	113.7	Q180	Q180-N182 PolarHBondContact O-N 3.13Å; Q180-N182 VanDerWaalsContact O-N 3.09Å
183	T	92.2	Very high	85.1	Confident	40 Å²	40	54.5 Å²	54.5	25%	0.245	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-31.3	-178	57.4	0	0	0	0	113.8	R48 A56 V57 Q180 G181	R48-T183 PolarHBondContact NH1-O 2.98Å; A56-T183 WeakPolarHBondContact CA-O 3.28Å; V57-T183 PolarHBondContact N-O 2.94Å; Q180-T183 PolarHBondContact N-OG1 3.13Å; Q180-T183 PolarHBondContact O-N 2.79Å; Q180-T183 PolarHBondContact O-OG1 3.23Å; G181-T183 VanDerWaalsContact C-N 3.29Å; G181-T183 PolarHBondContact O-N 2.96Å
184	V	93.7	Very high	82.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	121.5	167	177.8	0	0	0	0	108.8	V57 V59 W114 T176 Y179 Q180 G181	V57-V184 HydrophobicContact CB-CG2 4.4Å; V57-V184 WeakPolarHBondContact O-CA 3.45Å; V59-V184 HydrophobicContact CB-CG1 4.36Å; V59-V184 HydrophobicContact CG2-CG1 3.76Å; W114-V184 HydrophobicContact CH2-CG2 4.2Å; W114-V184 HydrophobicContact CZ2-CG2 4.07Å; T176-V184 HydrophobicContact CG2-CB 4.37Å; T176-V184 HydrophobicContact CG2-CG1 4.03Å; Y179-V184 HydrophobicContact CD1-CG2 4.02Å; Y179-V184 HydrophobicContact CD2-CG2 3.66Å; Y179-V184 HydrophobicContact CE2-CG2 4.3Å; Y179-V184 HydrophobicContact CG-CB 4.27Å; Y179-V184 HydrophobicContact CG-CG2 3.49Å; Y179-V184 VanDerWaalsContact CG-CG2 3.49Å; Q180-V184 PolarHBondContact O-N 3.09Å; G181-V184 WeakPolarHBondContact CA-O 3.35Å
185	D	92.7	Very high	80.1	Confident	30 Å²	30	65.8 Å²	65.8	16%	0.16	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	101.4	177.1	-179.8	18.7	0	0	0	109.6	A56 V57 V59 K187 R227 I240	A56-D185 HydrophobicContact CB-CB 4.08Å; V57-D185 PolarHBondContact O-N 2.73Å; V59-D185 PolarHBondContact N-O 3.26Å; D185-K187 PolarHBondContact O-N 3.35Å; D185-K187 WeakPolarHBondContact OD2-CE 3.35Å; D185-K187 IonicContact OD2-NZ 3.78Å; D185-R227 IonicContact OD1-CZ 2.9Å; D185-R227 IonicContact OD1-NE 2.66Å; D185-R227 IonicContact OD1-NH2 2.73Å; D185-R227 PolarHBondContact OD1-NH2 3.3Å; D185-I240 HydrophobicContact CB-CD1 4.43Å
186	L	92.5	Very high	77.5	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	117.2	173.2	-75.3	169.6	0	0	0	110	V59 I118 T176 R227 I240	V59-L186 HydrophobicContact CB-CD2 3.98Å; V59-L186 HydrophobicContact CG1-CD2 3.82Å; V59-L186 CarbonylContact O-C 3.6Å; V59-L186 WeakPolarHBondContact O-CA 3.23Å; I118-L186 HydrophobicContact CD1-CD1 4.11Å; I118-L186 HydrophobicContact CD1-CD2 3.7Å; I118-L186 HydrophobicContact CD1-CG 4.48Å; T176-L186 HydrophobicContact CG2-CD1 4.19Å; L186-R227 VanDerWaalsContact O-CD 3.31Å; L186-R227 WeakPolarHBondContact O-CD 3.3Å; L186-R227 PolarHBondContact O-NE 2.84Å; L186-I240 HydrophobicContact CB-CB 4.5Å; L186-I240 HydrophobicContact CB-CG2 3.88Å
187	K	90	Very high	75.2	Confident	64 Å²	64	77.6 Å²	77.6	28%	0.278	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	148.5	176.4	-64.6	-173.1	178.5	-174.3	0	110.4	V59 F60 L61 D185	V59-K187 PolarHBondContact O-N 3.39Å; F60-K187 CarbonylContact C-O 3.52Å; F60-K187 WeakPolarHBondContact CA-O 3.49Å; F60-K187 HydrophobicContact CD1-CB 3.87Å; F60-K187 HydrophobicContact CD1-CD 4.48Å; F60-K187 HydrophobicContact CE1-CB 4.1Å; F60-K187 HydrophobicContact CE1-CD 3.89Å; F60-K187 HydrophobicContact CZ-CD 4.18Å; L61-K187 PolarHBondContact N-O 2.91Å; D185-K187 PolarHBondContact O-N 3.35Å; D185-K187 WeakPolarHBondContact OD2-CE 3.35Å; D185-K187 IonicContact OD2-NZ 3.78Å
188	L	88.6	Confident	73.1	Confident	17 Å²	17	79 Å²	79	9%	0.089	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.7	166.5	-61.1	178.2	0	0	0	108.7	L61 I225 R227 V242	L61-L188 WeakPolarHBondContact O-CA 3.37Å; L188-I225 HydrophobicContact CD1-CG2 4.39Å; L188-I225 HydrophobicContact CD2-CD1 3.95Å; L188-I225 HydrophobicContact CD2-CG1 3.91Å; L188-I225 HydrophobicContact CD2-CG2 4.44Å; L188-R227 HydrophobicContact CD1-CB 4.3Å; L188-R227 HydrophobicContact CG-CB 4.26Å; L188-V242 HydrophobicContact CD2-CG1 3.8Å; L188-V242 HydrophobicContact CD2-CG2 4.26Å
189	Q	81.3	Confident	71	Confident	28 Å²	28	82.3 Å²	82.3	13%	0.131	43%	0.428	C	S	.	.			trans	-77.2	143.8	167.4	-155.5	-158.6	-43.7	0	0	109.7	F60 L61 K62 N205	F60-Q189 HydrophobicContact CB-CB 4.45Å; L61-Q189 PolarHBondContact O-N 3.3Å; K62-Q189 HydrophobicContact CB-CB 4.14Å; Q189-N205 PolarHBondContact O-ND2 2.96Å
190	C	72.2	Confident	69.2	Low	35 Å²	35	84.5 Å²	84.5	24%	0.236	45%	0.448	C	S	.	.			trans	-104.2	149.4	166.2	-78.7	0	0	0	0	110.3	N192 C201	C190-N192 VanDerWaalsContact C-N 3.34Å; C190-C201 WeakPolarHBondContact CB-SG 3.49Å; C190-C201 WeakPolarHBondContact SG-CA 3.2Å; C190-C201 WeakPolarHBondContact SG-CB 3.48Å; C190-C201 CovalentContact SG-SG 2.04Å; C190-C201 PolarHBondContact SG-SG 2.86Å
191	D	60.2	Low	67.5	Low	110 Å²	110	84 Å²	84	59%	0.588	45%	0.45	S	S	*	.	S	Bend	trans	-86.1	-3.1	-178.5	-69.6	-56.1	0	0	0	114.4	K62	K62-D191 IonicContact NZ-OD1 2.86Å; K62-D191 PolarHBondContact NZ-OD1 3.33Å; K62-D191 IonicContact NZ-OD2 3.22Å; K62-D191 PolarHBondContact NZ-OD2 3.42Å
192	N	54.8	Low	65.5	Low	142 Å²	142	90.7 Å²	90.7	76%	0.759	48%	0.478	S	S	*	.			trans	-113	64.9	177.1	-70.7	-41	0	0	0	111.3	C190 T194	C190-N192 VanDerWaalsContact C-N 3.34Å; N192-T194 PolarHBondContact O-N 3.19Å
193	E	49.5	Very low	63.9	Low	150 Å²	150	93.6 Å²	93.6	70%	0.701	48%	0.482	S	S	*	.			trans	-74.4	66.2	164	-72.6	-178.1	176.2	0	0	110.4
194	T	40.7	Very low	62.2	Low	97 Å²	97	96.3 Å²	96.3	60%	0.595	49%	0.493	S	S	*	.			trans	-81.2	118.2	153.2	48.1	0	0	0	0	107.5	N192 D196	N192-T194 PolarHBondContact O-N 3.19Å; T194-D196 PolarHBondContact O-N 3.12Å
195	E	44.1	Very low	61.2	Low	198 Å²	198	98.1 Å²	98.1	93%	0.925	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	4.1	-164.8	-61.3	178.6	107.7	0	0	116.4
196	D	38.2	Very low	60.8	Low	156 Å²	156	103 Å²	103	83%	0.834	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	7.6	-166.5	-77.5	-52.8	0	0	0	115.7	T194	T194-D196 PolarHBondContact O-N 3.12Å
197	V	45.5	Very low	60.6	Low	93 Å²	93	103.3 Å²	103.3	56%	0.564	53%	0.531	S	S	*	.			trans	-136.1	113.1	-178.9	-154.5	0	0	0	0	114.1	Q199	V197-Q199 HydrophobicContact CB-CB 4.45Å; V197-Q199 HydrophobicContact CG1-CB 3.73Å; V197-Q199 PolarHBondContact O-N 3.22Å
198	D	47	Very low	60.5	Low	177 Å²	177	101.9 Å²	101.9	95%	0.947	53%	0.526	S	S	*	.			trans	-69.8	43.3	165.9	-81.7	-50.2	0	0	0	112.6	P200	D198-P200 WeakPolarHBondContact O-CD 3.5Å
199	Q	46.9	Very low	60.7	Low	161 Å²	161	103.3 Å²	103.3	75%	0.752	53%	0.534	S	S	*	.			trans	-90.2	109.4	175.7	-165.3	145.5	16.5	0	0	108.4	V197 C201	V197-Q199 HydrophobicContact CB-CB 4.45Å; V197-Q199 HydrophobicContact CG1-CB 3.73Å; V197-Q199 PolarHBondContact O-N 3.22Å; Q199-C201 PolarHBondContact O-N 2.86Å
200	P	53	Low	61.1	Low	94 Å²	94	106.9 Å²	106.9	61%	0.61	56%	0.562	S	S	*	*			trans	-60.5	133.7	-177.1	24.9	-33.8	0	0	0	109.5	D198 H202	D198-P200 WeakPolarHBondContact O-CD 3.5Å; P200-H202 PolarHBondContact O-N 3.01Å
201	C	55.5	Low	61.9	Low	45 Å²	45	106.7 Å²	106.7	30%	0.304	56%	0.563	S	S	.	*			trans	-42.4	118	170.2	-75.8	0	0	0	0	108.9	C190 Q199 Y203	C190-C201 WeakPolarHBondContact CB-SG 3.49Å; C190-C201 WeakPolarHBondContact SG-CA 3.2Å; C190-C201 WeakPolarHBondContact SG-CB 3.48Å; C190-C201 CovalentContact SG-SG 2.04Å; C190-C201 PolarHBondContact SG-SG 2.86Å; Q199-C201 PolarHBondContact O-N 2.86Å; C201-Y203 PolarHBondContact O-N 3.43Å
202	H	48.3	Very low	63.5	Low	152 Å²	152	104 Å²	104	70%	0.704	54%	0.544	S	S	*	.			trans	-58.7	141.9	-170.6	-157.5	-115.3	0	0	0	108.5	P200 M204 N205	P200-H202 PolarHBondContact O-N 3.01Å; H202-M204 CarbonylContact O-C 3.57Å; H202-M204 VanDerWaalsContact O-C 3.25Å; H202-M204 PolarHBondContact O-N 3.48Å; H202-N205 PolarHBondContact O-OD1 3.11Å
203	Y	54.4	Low	65.4	Low	175 Å²	175	102.6 Å²	102.6	69%	0.686	54%	0.536	S	S	*	.	S	Bend	trans	-62.4	-7.6	-162	-71.3	-86.2	0	0	0	115.1	C201 K226	C201-Y203 PolarHBondContact O-N 3.43Å; Y203-K226 WeakPolarHBondContact O-CG 3.43Å
204	M	57	Low	67.5	Low	98 Å²	98	98.6 Å²	98.6	48%	0.483	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.1	158.5	-63.7	174.3	62.8	0	0	108.5	H202 S224 I225 K226	H202-M204 CarbonylContact O-C 3.57Å; H202-M204 VanDerWaalsContact O-C 3.25Å; H202-M204 PolarHBondContact O-N 3.48Å; M204-S224 WeakPolarHBondContact CE-OG 3.49Å; M204-I225 WeakPolarHBondContact CA-O 3.47Å; M204-K226 HydrophobicContact CG-CB 4.17Å; M204-K226 HydrophobicContact CG-CD 4.41Å; M204-K226 HydrophobicContact CG-CG 4.11Å
205	N	73.2	Confident	69.9	Low	37 Å²	37	95.8 Å²	95.8	20%	0.198	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	163.9	162.1	-75.5	-4.8	0	0	0	108.3	Q189 H202 I225	Q189-N205 PolarHBondContact O-ND2 2.96Å; H202-N205 PolarHBondContact O-OD1 3.11Å; N205-I225 HydrophobicContact CB-CG2 3.88Å; N205-I225 PolarHBondContact N-O 2.98Å; N205-I225 VanDerWaalsContact N-O 3.08Å; N205-I225 WeakPolarHBondContact O-CG2 3.32Å; N205-I225 PolarHBondContact O-N 3.39Å
206	D	83.3	Confident	72.2	Confident	133 Å²	133	91.5 Å²	91.5	71%	0.711	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	154	164.2	-63.7	-50.3	0	0	0	110.6
207	V	88.4	Confident	74.6	Confident	8 Å²	8	86.7 Å²	86.7	5%	0.048	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-76.7	144.9	170.9	176.1	0	0	0	0	108.6	L65 L209 A223 I225 I244	L65-V207 HydrophobicContact CB-CG1 3.81Å; V207-L209 PolarHBondContact O-N 2.8Å; V207-A223 HydrophobicContact CB-CB 3.81Å; V207-A223 HydrophobicContact CG1-CB 4.47Å; V207-A223 HydrophobicContact CG2-CB 3.97Å; V207-A223 PolarHBondContact N-O 2.82Å; V207-I225 HydrophobicContact CG2-CB 3.97Å; V207-I225 HydrophobicContact CG2-CG2 4.44Å; V207-I244 HydrophobicContact CG2-CG2 3.83Å
208	D	89.5	Confident	76.9	Confident	33 Å²	33	82.4 Å²	82.4	18%	0.176	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-72.8	118.3	177.6	-166.9	-44.7	0	0	0	110.9	K62 C63 F64 L65 S210	K62-D208 VanDerWaalsContact CE-CB 3.44Å; K62-D208 WeakPolarHBondContact CE-OD2 3.37Å; K62-D208 IonicContact NZ-OD2 3.4Å; K62-D208 PolarHBondContact NZ-OD2 2.94Å; C63-D208 PolarHBondContact O-N 3.2Å; C63-D208 VanDerWaalsContact O-N 3.16Å; F64-D208 WeakPolarHBondContact CA-O 3.49Å; F64-D208 HydrophobicContact CB-CB 4.48Å; F64-D208 HydrophobicContact CD1-CB 3.48Å; F64-D208 VanDerWaalsContact CD1-CB 3.48Å; F64-D208 HydrophobicContact CE1-CB 3.79Å; F64-D208 WeakPolarHBondContact CE1-OD2 3.39Å; F64-D208 HydrophobicContact CG-CB 4Å; L65-D208 PolarHBondContact N-O 2.94Å; L65-D208 VanDerWaalsContact N-O 3.07Å; D208-S210 WeakPolarHBondContact OD1-CB 3.45Å; D208-S210 PolarHBondContact OD1-N 3.45Å; D208-S210 PolarHBondContact OD1-OG 3.26Å
209	L	91.2	Very high	79.1	Confident	48 Å²	48	75 Å²	75	25%	0.251	41%	0.411	S	S	.	.			trans	-105.1	6.2	-179.7	-58.3	-177.5	0	0	0	113.1	L65 V207 A211 Y212 L220 A223	L65-L209 HydrophobicContact CB-CD2 3.95Å; L65-L209 HydrophobicContact CD2-CD2 4.18Å; L65-L209 HydrophobicContact CG-CD2 4.45Å; V207-L209 PolarHBondContact O-N 2.8Å; L209-A211 PolarHBondContact O-N 2.85Å; L209-Y212 HydrophobicContact CD2-CG 4.46Å; L209-Y212 WeakPolarHBondContact O-CB 3.33Å; L209-Y212 PolarHBondContact O-N 3.29Å; L209-L220 HydrophobicContact CD1-CD2 3.72Å; L209-L220 HydrophobicContact CD2-CD2 3.7Å; L209-L220 HydrophobicContact CG-CD2 4.37Å; L209-A223 HydrophobicContact CD2-CB 4.24Å
210	S	89.9	Confident	81.4	Confident	103 Å²	103	69.1 Å²	69.1	72%	0.72	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.2	-179.3	64.3	0	0	0	0	113.9	D208	D208-S210 WeakPolarHBondContact OD1-CB 3.45Å; D208-S210 PolarHBondContact OD1-N 3.45Å; D208-S210 PolarHBondContact OD1-OG 3.26Å
211	A	89	Confident	83.2	Confident	31 Å²	31	69.8 Å²	69.8	26%	0.256	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	12.4	175	0	0	0	0	0	113.7	N66 W83 L209 L213	N66-A211 PolarHBondContact ND2-O 2.91Å; W83-A211 HydrophobicContact CZ3-CB 4.41Å; L209-A211 PolarHBondContact O-N 2.85Å; A211-L213 PolarHBondContact O-N 3.4Å
212	Y	94.3	Very high	85	Confident	52 Å²	52	69.9 Å²	69.9	20%	0.204	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-76.7	120.7	-173.8	-179.5	-113.1	0	0	0	112.9	L65 N66 L209 A214 L220	L65-Y212 HydrophobicContact CD2-CD2 4.36Å; L65-Y212 HydrophobicContact CD2-CE2 4.33Å; L65-Y212 HydrophobicContact CG-CD2 4.03Å; L65-Y212 HydrophobicContact CG-CE2 4.3Å; L65-Y212 WeakPolarHBondContact O-CA 3.49Å; L65-Y212 WeakPolarHBondContact O-CB 3.47Å; N66-Y212 CarbonylContact O-C 3.59Å; N66-Y212 WeakPolarHBondContact O-CA 3.41Å; L209-Y212 HydrophobicContact CD2-CG 4.46Å; L209-Y212 WeakPolarHBondContact O-CB 3.33Å; L209-Y212 PolarHBondContact O-N 3.29Å; Y212-A214 HydrophobicContact CE1-CB 4.19Å; Y212-L220 HydrophobicContact CD1-CD2 4.18Å; Y212-L220 HydrophobicContact CD2-CD2 4.36Å; Y212-L220 HydrophobicContact CE1-CB 3.94Å; Y212-L220 HydrophobicContact CE1-CD2 3.97Å; Y212-L220 HydrophobicContact CE2-CD2 4.16Å; Y212-L220 HydrophobicContact CG-CD2 4.39Å
213	L	94.9	Very high	87.1	Confident	113 Å²	113	62.9 Å²	62.9	59%	0.592	35%	0.349	S	S	*	.	B	Isolated β-bridge	trans	-92.8	118.2	168.9	-171.9	63.3	0	0	0	110	N66 Q67 A211 H215	N66-L213 PolarHBondContact O-N 3.48Å; Q67-L213 HydrophobicContact CB-CB 4.31Å; A211-L213 PolarHBondContact O-N 3.4Å; L213-H215 PolarHBondContact O-N 2.98Å
214	A	92.8	Very high	89	Confident	67 Å²	67	54.9 Å²	54.9	55%	0.554	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-66.5	128.9	-175.1	0	0	0	0	0	112.9	Y212	Y212-A214 HydrophobicContact CE1-CB 4.19Å
215	H	92.3	Very high	90.6	Very high	38 Å²	38	50.6 Å²	50.6	18%	0.176	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-73.3	148.1	179.9	-166.2	-112.2	0	0	0	112.7	I68 L213 E217 W218 R251	I68-H215 PolarHBondContact O-CD2 3.48Å; I68-H215 VanDerWaalsContact O-CD2 3.32Å; L213-H215 PolarHBondContact O-N 2.98Å; H215-E217 PolarHBondContact ND1-N 2.86Å; H215-W218 HydrophobicContact CB-CB 4.22Å; H215-W218 AromaticContact CE1-CD1 3.82Å; H215-W218 AromaticContact ND1-CD1 3.45Å; H215-W218 AromaticContact ND1-CG 3.93Å; H215-W218 PolarHBondContact ND1-N 2.96Å; H215-W218 VanDerWaalsContact O-O 3.08Å; H215-R251 PolarHBondContact O-NE 3.12Å
216	S	90.8	Very high	91.5	Very high	107 Å²	107	52 Å²	52	75%	0.748	30%	0.302	S	S	*	.	S	Bend	trans	-72.7	-33.9	-174.1	57.6	0	0	0	0	113.3	R251	S216-R251 VanDerWaalsContact O-CD 3.27Å; S216-R251 WeakPolarHBondContact O-CD 3.44Å
217	E	90.3	Very high	91.9	Very high	55 Å²	55	49 Å²	49	26%	0.257	28%	0.281	S	S	.	.	S	Bend	trans	-101.5	-31.5	177.3	177.9	166.9	177.2	0	0	113.3	H215 R250 R251 Y255	H215-E217 PolarHBondContact ND1-N 2.86Å; E217-R250 HydrophobicContact CG-CG 4.23Å; E217-R250 IonicContact OE1-CZ 3.86Å; E217-R250 IonicContact OE1-NH1 3.46Å; E217-R250 PolarHBondContact OE1-NH1 3.24Å; E217-R251 WeakPolarHBondContact O-CB 3.49Å; E217-R251 WeakPolarHBondContact O-CG 3.34Å; E217-R251 PolarHBondContact O-N 2.96Å; E217-Y255 VanDerWaalsContact OE1-CE2 3.28Å; E217-Y255 WeakPolarHBondContact OE1-CE2 3.3Å; E217-Y255 PolarHBondContact OE1-OH 2.99Å
218	W	93.5	Very high	92.1	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.011	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.9	-172.6	-69.3	104.3	0	0	0	110	V71 Q168 H215 M248 R250	V71-W218 HydrophobicContact CB-CZ2 4.27Å; V71-W218 HydrophobicContact CG1-CZ2 4.08Å; V71-W218 HydrophobicContact CG2-CD2 4.45Å; V71-W218 HydrophobicContact CG2-CG 4.29Å; Q168-W218 HydrophobicContact CB-CZ3 4.44Å; Q168-W218 HydrophobicContact CG-CH2 3.58Å; Q168-W218 HydrophobicContact CG-CZ3 3.75Å; H215-W218 HydrophobicContact CB-CB 4.22Å; H215-W218 AromaticContact CE1-CD1 3.82Å; H215-W218 AromaticContact ND1-CD1 3.45Å; H215-W218 AromaticContact ND1-CG 3.93Å; H215-W218 PolarHBondContact ND1-N 2.96Å; H215-W218 VanDerWaalsContact O-O 3.08Å; W218-M248 HydrophobicContact CB-SD 4.5Å; W218-M248 HydrophobicContact CD2-CE 4.37Å; W218-M248 HydrophobicContact CD2-CG 4.4Å; W218-M248 HydrophobicContact CD2-SD 4.09Å; W218-M248 HydrophobicContact CE3-CB 4.2Å; W218-M248 HydrophobicContact CE3-CE 4.31Å; W218-M248 HydrophobicContact CE3-CG 3.77Å; W218-M248 HydrophobicContact CE3-SD 4.05Å; W218-M248 HydrophobicContact CG-SD 4.28Å; W218-M248 HydrophobicContact CZ3-CE 4.38Å; W218-M248 HydrophobicContact CZ3-CG 4.17Å; W218-R250 HydrophobicContact CE3-CB 4.21Å; W218-R250 HydrophobicContact CH2-CB 4.1Å; W218-R250 HydrophobicContact CZ3-CB 3.82Å
219	A	93.3	Very high	92.2	Very high	23 Å²	23	52.7 Å²	52.7	19%	0.19	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.9	168.1	0	0	0	0	0	108.3	E221 M248 Q249	A219-E221 PolarHBondContact O-N 3.3Å; A219-M248 CarbonylContact O-C 3.6Å; A219-M248 VanDerWaalsContact O-CA 3.23Å; A219-M248 WeakPolarHBondContact O-CA 3.36Å; A219-Q249 PolarHBondContact N-O 3.43Å; A219-Q249 PolarHBondContact O-N 3.27Å
220	L	94.4	Very high	92.1	Very high	36 Å²	36	53.9 Å²	53.9	19%	0.188	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	124.8	168.9	-174.1	69.6	0	0	0	108.5	L65 I68 L209 Y212 A223 V246	L65-L220 HydrophobicContact CD2-CD1 4.21Å; L65-L220 HydrophobicContact CD2-CD2 4.02Å; I68-L220 HydrophobicContact CD1-CD1 4.46Å; L209-L220 HydrophobicContact CD1-CD2 3.72Å; L209-L220 HydrophobicContact CD2-CD2 3.7Å; L209-L220 HydrophobicContact CG-CD2 4.37Å; Y212-L220 HydrophobicContact CD1-CD2 4.18Å; Y212-L220 HydrophobicContact CD2-CD2 4.36Å; Y212-L220 HydrophobicContact CE1-CB 3.94Å; Y212-L220 HydrophobicContact CE1-CD2 3.97Å; Y212-L220 HydrophobicContact CE2-CD2 4.16Å; Y212-L220 HydrophobicContact CG-CD2 4.39Å; L220-A223 HydrophobicContact CD1-CB 4.36Å; L220-A223 HydrophobicContact CD2-CB 4.48Å; L220-V246 HydrophobicContact CD1-CG1 3.72Å
221	E	91.2	Very high	92	Very high	108 Å²	108	53 Å²	53	51%	0.505	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-42.9	174.2	-64.6	-168.6	146.1	0	0	110.7	A219 Y247 Q249	A219-E221 PolarHBondContact O-N 3.3Å; E221-Y247 PolarHBondContact N-O 2.97Å; E221-Q249 HydrophobicContact CG-CB 4.09Å; E221-Q249 PolarHBondContact OE1-NE2 3.24Å
222	S	92.4	Very high	91.9	Very high	48 Å²	48	56.6 Å²	56.6	34%	0.336	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	159.6	170	64.5	0	0	0	0	111.6	Y247	S222-Y247 PolarHBondContact N-O 3.26Å; S222-Y247 PolarHBondContact O-N 3.48Å; S222-Y247 WeakPolarHBondContact OG-CD2 3.39Å
223	A	93.8	Very high	91.2	Very high	4 Å²	4	58.6 Å²	58.6	3%	0.033	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	122.1	168.5	0	0	0	0	0	109.1	L65 V207 L209 L220 Y245	L65-A223 HydrophobicContact CD2-CB 4.15Å; V207-A223 HydrophobicContact CB-CB 3.81Å; V207-A223 HydrophobicContact CG1-CB 4.47Å; V207-A223 HydrophobicContact CG2-CB 3.97Å; V207-A223 PolarHBondContact N-O 2.82Å; L209-A223 HydrophobicContact CD2-CB 4.24Å; L220-A223 HydrophobicContact CD1-CB 4.36Å; L220-A223 HydrophobicContact CD2-CB 4.48Å; A223-Y245 VanDerWaalsContact CA-O 3.31Å; A223-Y245 WeakPolarHBondContact CA-O 3.47Å
224	S	92.9	Very high	90.4	Very high	8 Å²	8	55 Å²	55	6%	0.056	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.5	-176.9	60.5	0	0	0	0	111.7	M204 I244 Y245	M204-S224 WeakPolarHBondContact CE-OG 3.49Å; S224-I244 CarbonylContact O-C 3.49Å; S224-I244 WeakPolarHBondContact O-CA 3.39Å; S224-Y245 PolarHBondContact N-O 2.75Å; S224-Y245 PolarHBondContact O-N 2.93Å
225	I	92.3	Very high	89.7	Confident	7 Å²	7	60.4 Å²	60.4	4%	0.036	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.4	-173	-168.1	167.8	0	0	0	111.1	C63 L188 M204 N205 V207 V242 I244	C63-I225 HydrophobicContact CB-CD1 3.8Å; C63-I225 VanDerWaalsContact SG-CD1 3.52Å; L188-I225 HydrophobicContact CD1-CG2 4.39Å; L188-I225 HydrophobicContact CD2-CD1 3.95Å; L188-I225 HydrophobicContact CD2-CG1 3.91Å; L188-I225 HydrophobicContact CD2-CG2 4.44Å; M204-I225 WeakPolarHBondContact CA-O 3.47Å; N205-I225 HydrophobicContact CB-CG2 3.88Å; N205-I225 PolarHBondContact N-O 2.98Å; N205-I225 VanDerWaalsContact N-O 3.08Å; N205-I225 WeakPolarHBondContact O-CG2 3.32Å; N205-I225 PolarHBondContact O-N 3.39Å; V207-I225 HydrophobicContact CG2-CB 3.97Å; V207-I225 HydrophobicContact CG2-CG2 4.44Å; I225-V242 HydrophobicContact CD1-CG1 3.51Å; I225-V242 HydrophobicContact CG1-CG1 3.37Å; I225-I244 HydrophobicContact CB-CG1 4.41Å; I225-I244 HydrophobicContact CD1-CD1 4.41Å; I225-I244 HydrophobicContact CD1-CG1 3.87Å; I225-I244 HydrophobicContact CG1-CG1 3.88Å
226	K	91.4	Very high	89.2	Confident	68 Å²	68	65.5 Å²	65.5	30%	0.296	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.5	-173.3	-172.8	-173.9	179.2	-142.7	0	110.9	Y203 M204 N228 V242 T243 Y245	Y203-K226 WeakPolarHBondContact O-CG 3.43Å; M204-K226 HydrophobicContact CG-CB 4.17Å; M204-K226 HydrophobicContact CG-CD 4.41Å; M204-K226 HydrophobicContact CG-CG 4.11Å; K226-N228 WeakPolarHBondContact CD-OD1 3.34Å; K226-N228 VanDerWaalsContact CE-OD1 3.27Å; K226-N228 WeakPolarHBondContact CE-OD1 3.45Å; K226-N228 PolarHBondContact NZ-OD1 3.05Å; K226-V242 WeakPolarHBondContact O-CA 3.05Å; K226-T243 PolarHBondContact N-O 3.39Å; K226-T243 PolarHBondContact O-N 3.47Å; K226-Y245 HydrophobicContact CB-CE2 4.03Å; K226-Y245 HydrophobicContact CD-CE2 4.34Å
227	R	92.2	Very high	88.9	Confident	70 Å²	70	64.7 Å²	64.7	26%	0.264	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.8	166.9	-175	-173.4	179.6	-80.6	10.3	109.6	D185 L186 L188 I240	D185-R227 IonicContact OD1-CZ 2.9Å; D185-R227 IonicContact OD1-NE 2.66Å; D185-R227 IonicContact OD1-NH2 2.73Å; D185-R227 PolarHBondContact OD1-NH2 3.3Å; L186-R227 VanDerWaalsContact O-CD 3.31Å; L186-R227 WeakPolarHBondContact O-CD 3.3Å; L186-R227 PolarHBondContact O-NE 2.84Å; L188-R227 HydrophobicContact CD1-CB 4.3Å; L188-R227 HydrophobicContact CG-CB 4.26Å; R227-I240 HydrophobicContact CG-CG2 3.92Å
228	N	91.2	Very high	89	Confident	18 Å²	18	63.8 Å²	63.8	10%	0.096	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	167.5	171.8	-60.4	-54	0	0	0	110.3	K226 D241 T243	K226-N228 WeakPolarHBondContact CD-OD1 3.34Å; K226-N228 VanDerWaalsContact CE-OD1 3.27Å; K226-N228 WeakPolarHBondContact CE-OD1 3.45Å; K226-N228 PolarHBondContact NZ-OD1 3.05Å; N228-D241 VanDerWaalsContact CB-OD1 3.32Å; N228-D241 WeakPolarHBondContact CB-OD1 3.47Å; N228-D241 PolarHBondContact N-O 3.37Å; N228-D241 PolarHBondContact ND2-OD2 3.27Å; N228-D241 PolarHBondContact O-N 3.34Å; N228-T243 PolarHBondContact ND2-OG1 3.22Å
229	I	91.5	Very high	88.9	Confident	99 Å²	99	65.7 Å²	65.7	51%	0.508	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.4	165.3	-51.3	176.2	0	0	0	105.7	T238 Y239	I229-T238 HydrophobicContact CG2-CG2 4.25Å; I229-Y239 WeakPolarHBondContact CA-O 3.48Å
230	Q	88.8	Confident	88.9	Confident	74 Å²	74	64.8 Å²	64.8	35%	0.346	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.5	-178.8	-58.7	-66.9	-10.2	0	0	109.7	Y232 Y239 D241	Q230-Y232 HydrophobicContact CB-CD2 4.29Å; Q230-Y232 HydrophobicContact CB-CE2 3.65Å; Q230-Y239 PolarHBondContact N-O 3.1Å; Q230-Y239 PolarHBondContact O-N 3.26Å; Q230-D241 WeakPolarHBondContact CG-OD1 2.95Å
231	T	89.9	Confident	88.9	Confident	85 Å²	85	63.1 Å²	63.1	52%	0.521	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.4	170.9	41.5	0	0	0	0	110.1	E235 Q237 T238	T231-E235 WeakPolarHBondContact CG2-O 3.35Å; T231-Q237 WeakPolarHBondContact CA-O 3.5Å; T231-T238 HydrophobicContact CG2-CG2 3.66Å
232	Y	86.1	Confident	89	Confident	106 Å²	106	58 Å²	58	42%	0.416	32%	0.319	S	S	.	.			trans	-120.8	128.5	178.2	-69.4	-77.4	0	0	0	109.9	Q230 G234 Q237 Y239	Q230-Y232 HydrophobicContact CB-CD2 4.29Å; Q230-Y232 HydrophobicContact CB-CE2 3.65Å; Y232-G234 PolarHBondContact O-N 3.44Å; Y232-Q237 PolarHBondContact N-O 3.22Å; Y232-Q237 VanDerWaalsContact N-O 3.13Å; Y232-Q237 VanDerWaalsContact O-CB 3.23Å; Y232-Q237 WeakPolarHBondContact O-CB 3.46Å; Y232-Q237 PolarHBondContact O-OE1 3.11Å; Y232-Y239 AromaticContact CD2-CD2 3.84Å; Y232-Y239 HydrophobicContact CD2-CD2 3.84Å; Y232-Y239 HydrophobicContact CD2-CG 4.18Å
233	G	79.2	Confident	89.1	Confident	94 Å²	94	55.7 Å²	55.7	97%	0.969	30%	0.303	S	S	*	.	S	Bend	trans	75.3	-32.4	176	0	0	0	0	0	116.4
234	G	79.1	Confident	89.1	Confident	36 Å²	36	55.6 Å²	55.6	37%	0.371	30%	0.302	S	S	.	.	S	Bend	trans	-167.4	170.8	177.3	0	0	0	0	0	113.3	Y232 D236 Q237	Y232-G234 PolarHBondContact O-N 3.44Å; G234-D236 PolarHBondContact O-N 2.77Å; G234-Q237 PolarHBondContact O-N 3.36Å
235	E	77.9	Confident	89.2	Confident	181 Å²	181	57.9 Å²	57.9	85%	0.846	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-38.4	-172.7	-62.3	-174.2	161	0	0	113.2	T231 Q237	T231-E235 WeakPolarHBondContact CG2-O 3.35Å; E235-Q237 VanDerWaalsContact C-N 3.31Å; E235-Q237 PolarHBondContact O-N 2.96Å
236	D	80.9	Confident	89.4	Confident	145 Å²	145	57.6 Å²	57.6	78%	0.775	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.9	179.8	-60.9	-52	0	0	0	113.8	G234 T238	G234-D236 PolarHBondContact O-N 2.77Å; D236-T238 VanDerWaalsContact C-N 3.3Å; D236-T238 PolarHBondContact O-N 3.4Å
237	Q	84.8	Confident	89.6	Confident	91 Å²	91	58.3 Å²	58.3	43%	0.425	31%	0.31	S	S	.	.			trans	-87.9	68	-170	-66.9	-166.1	4.9	0	0	111.6	T231 Y232 G234 E235 Y239	T231-Q237 WeakPolarHBondContact CA-O 3.5Å; Y232-Q237 PolarHBondContact N-O 3.22Å; Y232-Q237 VanDerWaalsContact N-O 3.13Å; Y232-Q237 VanDerWaalsContact O-CB 3.23Å; Y232-Q237 WeakPolarHBondContact O-CB 3.46Å; Y232-Q237 PolarHBondContact O-OE1 3.11Å; G234-Q237 PolarHBondContact O-N 3.36Å; E235-Q237 VanDerWaalsContact C-N 3.31Å; E235-Q237 PolarHBondContact O-N 2.96Å; Q237-Y239 HydrophobicContact CB-CE2 4.41Å; Q237-Y239 WeakPolarHBondContact O-CD2 3.4Å
238	T	91.5	Very high	89.7	Confident	35 Å²	35	55 Å²	55	22%	0.215	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128.5	175	52.4	0	0	0	0	112.1	Q180 G181 I229 T231 D236	Q180-T238 CarbonylContact C-O 3.58Å; Q180-T238 WeakPolarHBondContact CA-O 3.11Å; Q180-T238 WeakPolarHBondContact CB-O 3.4Å; G181-T238 PolarHBondContact N-O 3.11Å; I229-T238 HydrophobicContact CG2-CG2 4.25Å; T231-T238 HydrophobicContact CG2-CG2 3.66Å; D236-T238 VanDerWaalsContact C-N 3.3Å; D236-T238 PolarHBondContact O-N 3.4Å
239	Y	92.5	Very high	89.8	Confident	44 Å²	44	58.1 Å²	58.1	17%	0.173	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151	170.6	-71.5	-100.3	0	0	0	109.3	Y179 Q180 I229 Q230 Y232 Q237	Y179-Y239 WeakPolarHBondContact O-CD1 3.36Å; Q180-Y239 HydrophobicContact CG-CD2 4.46Å; Q180-Y239 HydrophobicContact CG-CE1 4.12Å; Q180-Y239 HydrophobicContact CG-CE2 3.89Å; I229-Y239 WeakPolarHBondContact CA-O 3.48Å; Q230-Y239 PolarHBondContact N-O 3.1Å; Q230-Y239 PolarHBondContact O-N 3.26Å; Y232-Y239 AromaticContact CD2-CD2 3.84Å; Y232-Y239 HydrophobicContact CD2-CD2 3.84Å; Y232-Y239 HydrophobicContact CD2-CG 4.18Å; Q237-Y239 HydrophobicContact CB-CE2 4.41Å; Q237-Y239 WeakPolarHBondContact O-CD2 3.4Å
240	I	92.8	Very high	89.8	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.5	178.9	-59.1	163.1	0	0	0	107.6	G181 D185 L186 R227	G181-I240 VanDerWaalsContact CA-CD1 3.48Å; D185-I240 HydrophobicContact CB-CD1 4.43Å; L186-I240 HydrophobicContact CB-CB 4.5Å; L186-I240 HydrophobicContact CB-CG2 3.88Å; R227-I240 HydrophobicContact CG-CG2 3.92Å
241	D	93.7	Very high	89.9	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	150.1	171.1	76.4	-93	0	0	0	110.9	Y121 N228 Q230 T243	Y121-D241 HydrophobicContact CE2-CB 4.21Å; N228-D241 VanDerWaalsContact CB-OD1 3.32Å; N228-D241 WeakPolarHBondContact CB-OD1 3.47Å; N228-D241 PolarHBondContact N-O 3.37Å; N228-D241 PolarHBondContact ND2-OD2 3.27Å; N228-D241 PolarHBondContact O-N 3.34Å; Q230-D241 WeakPolarHBondContact CG-OD1 2.95Å; D241-T243 PolarHBondContact OD2-OG1 3.35Å
242	V	93.1	Very high	89.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	106.3	170.3	177	0	0	0	0	106.9	L61 L174 L188 I225 K226	L61-V242 HydrophobicContact CD2-CB 4.28Å; L61-V242 HydrophobicContact CD2-CG1 4.28Å; L61-V242 HydrophobicContact CD2-CG2 4.27Å; L174-V242 PolarHBondContact N-O 2.99Å; L174-V242 PolarHBondContact O-N 2.95Å; L188-V242 HydrophobicContact CD2-CG1 3.8Å; L188-V242 HydrophobicContact CD2-CG2 4.26Å; I225-V242 HydrophobicContact CD1-CG1 3.51Å; I225-V242 HydrophobicContact CG1-CG1 3.37Å; K226-V242 WeakPolarHBondContact O-CA 3.05Å
243	T	94.6	Very high	89.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.5	176.1	-62.6	0	0	0	0	109.2	I171 M172 K173 K226 N228 D241 Y245	I171-T243 HydrophobicContact CB-CG2 4.15Å; I171-T243 HydrophobicContact CG2-CG2 4.43Å; M172-T243 WeakPolarHBondContact O-CA 3.03Å; K173-T243 HydrophobicContact CG-CG2 4.24Å; K226-T243 PolarHBondContact N-O 3.39Å; K226-T243 PolarHBondContact O-N 3.47Å; N228-T243 PolarHBondContact ND2-OG1 3.22Å; D241-T243 PolarHBondContact OD2-OG1 3.35Å; T243-Y245 HydrophobicContact CG2-CD2 4.05Å; T243-Y245 HydrophobicContact CG2-CE1 4.18Å; T243-Y245 HydrophobicContact CG2-CE2 3.56Å
244	I	94.9	Very high	90.3	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.1	165.7	-59.6	165	0	0	0	108.2	C63 L82 I171 M172 L174 V207 S224 I225 V246	C63-I244 HydrophobicContact CB-CD1 4.04Å; L82-I244 HydrophobicContact CD1-CD1 3.81Å; I171-I244 CarbonylContact C-O 3.48Å; I171-I244 VanDerWaalsContact CA-O 3.31Å; I171-I244 WeakPolarHBondContact CA-O 3.49Å; M172-I244 HydrophobicContact CB-CB 4.37Å; M172-I244 HydrophobicContact CE-CB 4.13Å; M172-I244 HydrophobicContact CE-CD1 4.29Å; M172-I244 HydrophobicContact CE-CG2 3.82Å; M172-I244 PolarHBondContact N-O 3.23Å; M172-I244 PolarHBondContact O-N 2.95Å; L174-I244 HydrophobicContact CD1-CD1 4.02Å; V207-I244 HydrophobicContact CG2-CG2 3.83Å; S224-I244 CarbonylContact O-C 3.49Å; S224-I244 WeakPolarHBondContact O-CA 3.39Å; I225-I244 HydrophobicContact CB-CG1 4.41Å; I225-I244 HydrophobicContact CD1-CD1 4.41Å; I225-I244 HydrophobicContact CD1-CG1 3.87Å; I225-I244 HydrophobicContact CG1-CG1 3.88Å; I244-V246 HydrophobicContact CG2-CG2 4.03Å
245	Y	95.5	Very high	90.7	Very high	56 Å²	56	53.5 Å²	53.5	22%	0.22	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.1	171.7	-62.2	-96	0	0	0	108.9	I171 A223 S224 K226 T243	I171-Y245 HydrophobicContact CG2-CD1 3.51Å; I171-Y245 HydrophobicContact CG2-CE1 3.67Å; I171-Y245 HydrophobicContact CG2-CG 4.36Å; A223-Y245 VanDerWaalsContact CA-O 3.31Å; A223-Y245 WeakPolarHBondContact CA-O 3.47Å; S224-Y245 PolarHBondContact N-O 2.75Å; S224-Y245 PolarHBondContact O-N 2.93Å; K226-Y245 HydrophobicContact CB-CE2 4.03Å; K226-Y245 HydrophobicContact CD-CE2 4.34Å; T243-Y245 HydrophobicContact CG2-CD2 4.05Å; T243-Y245 HydrophobicContact CG2-CE1 4.18Å; T243-Y245 HydrophobicContact CG2-CE2 3.56Å
246	V	95.7	Very high	91	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	109	-179.6	-178	0	0	0	0	108.6	I68 C170 M172 L220 I244	I68-V246 HydrophobicContact CD1-CG1 4.29Å; C170-V246 PolarHBondContact N-O 3.48Å; C170-V246 PolarHBondContact O-N 2.7Å; M172-V246 HydrophobicContact CE-CG2 3.69Å; L220-V246 HydrophobicContact CD1-CG1 3.72Å; I244-V246 HydrophobicContact CG2-CG2 4.03Å
247	Y	95.4	Very high	91.4	Very high	83 Å²	83	46 Å²	46	33%	0.325	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.9	176.5	-67.6	-86.7	0	0	0	109.5	Q168 N169 E221 S222	Q168-Y247 WeakPolarHBondContact O-CA 3.37Å; N169-Y247 HydrophobicContact CB-CD1 3.86Å; N169-Y247 HydrophobicContact CB-CE1 3.68Å; N169-Y247 PolarHBondContact ND2-OH 3.38Å; N169-Y247 WeakPolarHBondContact OD1-CE1 3.31Å; E221-Y247 PolarHBondContact N-O 2.97Å; S222-Y247 PolarHBondContact N-O 3.26Å; S222-Y247 PolarHBondContact O-N 3.48Å; S222-Y247 WeakPolarHBondContact OG-CD2 3.39Å
248	M	93.9	Very high	91.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.2	-175.4	63.8	-176.8	-176.1	0	0	112.7	I68 V71 S167 Q168 W218 A219	I68-M248 HydrophobicContact CD1-SD 3.99Å; V71-M248 HydrophobicContact CB-CE 4.34Å; V71-M248 HydrophobicContact CG1-CE 3.68Å; V71-M248 HydrophobicContact CG2-CE 3.68Å; V71-M248 HydrophobicContact CG2-SD 4.04Å; S167-M248 CarbonylContact C-O 3.58Å; S167-M248 VanDerWaalsContact CA-O 3.29Å; S167-M248 WeakPolarHBondContact CA-O 3.21Å; Q168-M248 HydrophobicContact CB-CE 3.84Å; Q168-M248 HydrophobicContact CB-CG 4.14Å; Q168-M248 HydrophobicContact CG-CE 4.34Å; Q168-M248 PolarHBondContact N-O 3.45Å; Q168-M248 PolarHBondContact O-N 3.06Å; W218-M248 HydrophobicContact CB-SD 4.5Å; W218-M248 HydrophobicContact CD2-CE 4.37Å; W218-M248 HydrophobicContact CD2-CG 4.4Å; W218-M248 HydrophobicContact CD2-SD 4.09Å; W218-M248 HydrophobicContact CE3-CB 4.2Å; W218-M248 HydrophobicContact CE3-CE 4.31Å; W218-M248 HydrophobicContact CE3-CG 3.77Å; W218-M248 HydrophobicContact CE3-SD 4.05Å; W218-M248 HydrophobicContact CG-SD 4.28Å; W218-M248 HydrophobicContact CZ3-CE 4.38Å; W218-M248 HydrophobicContact CZ3-CG 4.17Å; A219-M248 CarbonylContact O-C 3.6Å; A219-M248 VanDerWaalsContact O-CA 3.23Å; A219-M248 WeakPolarHBondContact O-CA 3.36Å
249	Q	93.1	Very high	91.4	Very high	84 Å²	84	44.2 Å²	44.2	39%	0.393	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.8	-177.2	-179.8	171.3	103.2	0	0	111.8	S167 A219 E221	S167-Q249 WeakPolarHBondContact OG-CG 3.43Å; S167-Q249 PolarHBondContact OG-NE2 3.01Å; A219-Q249 PolarHBondContact N-O 3.43Å; A219-Q249 PolarHBondContact O-N 3.27Å; E221-Q249 HydrophobicContact CG-CB 4.09Å; E221-Q249 PolarHBondContact OE1-NE2 3.24Å
250	R	92.8	Very high	91	Very high	10 Å²	10	44 Å²	44	4%	0.038	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.4	180	-166.6	-174.3	-57.9	-87.4	-2.7	111.8	E73 D166 E217 W218 A252 Y255	E73-R250 IonicContact OE1-CZ 2.8Å; E73-R250 IonicContact OE1-NH1 3.48Å; E73-R250 PolarHBondContact OE1-NH1 3.28Å; E73-R250 IonicContact OE1-NH2 3.8Å; E73-R250 PolarHBondContact OE1-NH2 3.11Å; D166-R250 PolarHBondContact O-N 3.42Å; D166-R250 IonicContact OD1-CZ 3.71Å; D166-R250 IonicContact OD1-NE 3.85Å; D166-R250 PolarHBondContact OD1-NE 2.99Å; D166-R250 IonicContact OD1-NH2 2.73Å; D166-R250 IonicContact OD2-CZ 2.77Å; D166-R250 IonicContact OD2-NE 2.82Å; D166-R250 PolarHBondContact OD2-NE 3.03Å; D166-R250 IonicContact OD2-NH2 3.19Å; D166-R250 PolarHBondContact OD2-NH2 3.39Å; E217-R250 HydrophobicContact CG-CG 4.23Å; E217-R250 IonicContact OE1-CZ 3.86Å; E217-R250 IonicContact OE1-NH1 3.46Å; E217-R250 PolarHBondContact OE1-NH1 3.24Å; W218-R250 HydrophobicContact CE3-CB 4.21Å; W218-R250 HydrophobicContact CH2-CB 4.1Å; W218-R250 HydrophobicContact CZ3-CB 3.82Å; R250-A252 VanDerWaalsContact C-N 3.25Å; R250-A252 PolarHBondContact O-N 3.07Å; R250-Y255 HydrophobicContact CG-CE2 4.49Å
251	R	90.7	Very high	90.7	Very high	121 Å²	121	47.6 Å²	47.6	46%	0.457	21%	0.214	S	C	.	.			trans	-78.1	72.4	173.3	-63.3	174.2	-169.4	-75.5	4.1	110.8	H215 S216 E217 L253	H215-R251 PolarHBondContact O-NE 3.12Å; S216-R251 VanDerWaalsContact O-CD 3.27Å; S216-R251 WeakPolarHBondContact O-CD 3.44Å; E217-R251 WeakPolarHBondContact O-CB 3.49Å; E217-R251 WeakPolarHBondContact O-CG 3.34Å; E217-R251 PolarHBondContact O-N 2.96Å; R251-L253 PolarHBondContact O-N 3.47Å
252	A	87.1	Confident	90.5	Very high	13 Å²	13	49.4 Å²	49.4	11%	0.107	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-8.2	-172	0	0	0	0	0	119	P164 F165 R250 Y254 Y255 M256	P164-A252 HydrophobicContact CB-CB 4.44Å; P164-A252 HydrophobicContact CG-CB 4.36Å; P164-A252 WeakPolarHBondContact O-CB 3.32Å; F165-A252 HydrophobicContact CD1-CB 3.85Å; F165-A252 HydrophobicContact CE1-CB 3.86Å; F165-A252 HydrophobicContact CG-CB 4.41Å; F165-A252 HydrophobicContact CZ-CB 4.41Å; R250-A252 VanDerWaalsContact C-N 3.25Å; R250-A252 PolarHBondContact O-N 3.07Å; A252-Y254 PolarHBondContact O-N 2.86Å; A252-Y255 PolarHBondContact O-N 3.13Å; A252-M256 WeakPolarHBondContact O-CG 3.27Å; A252-M256 PolarHBondContact O-N 2.81Å
253	L	87	Confident	90.1	Very high	82 Å²	82	49.4 Å²	49.4	43%	0.429	23%	0.226	S	C	.	.	H	α-helix	trans	-56.2	-45.5	-175.4	-85.1	173.7	0	0	0	113.8	R251 Y255 M256 F257 R724	R251-L253 PolarHBondContact O-N 3.47Å; L253-Y255 VanDerWaalsContact C-N 3.32Å; L253-Y255 PolarHBondContact O-N 3.33Å; L253-M256 PolarHBondContact O-N 3.42Å; L253-F257 HydrophobicContact CD2-CE2 4.22Å; L253-F257 WeakPolarHBondContact O-CD2 3.37Å; L253-F257 PolarHBondContact O-N 2.92Å; L253-R724 VanDerWaalsContact CD2-NH2 3.31Å; L253-R724 VanDerWaalsContact CG-NH2 3.31Å
254	Y	89.1	Confident	89.6	Confident	156 Å²	156	52.9 Å²	52.9	61%	0.612	24%	0.243	S	C	*	.	H	α-helix	trans	-60.3	-44.1	-179.1	175.7	-95.2	0	0	0	111.6	A252 F257 N258	A252-Y254 PolarHBondContact O-N 2.86Å; Y254-F257 PolarHBondContact O-N 3.03Å; Y254-N258 VanDerWaalsContact CD2-ND2 3.33Å; Y254-N258 WeakPolarHBondContact CD2-ND2 3.34Å; Y254-N258 VanDerWaalsContact CE2-ND2 3.27Å; Y254-N258 WeakPolarHBondContact CE2-ND2 3.34Å; Y254-N258 WeakPolarHBondContact O-CB 3.49Å; Y254-N258 PolarHBondContact O-N 3.33Å; Y254-N258 PolarHBondContact O-ND2 3.38Å
255	Y	88	Confident	89.3	Confident	16 Å²	16	57.4 Å²	57.4	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-70.5	-33.6	179.9	-62.4	-92	0	0	0	112.5	F163 P164 E217 R250 A252 L253 I259 I260	F163-Y255 HydrophobicContact CE1-CD1 4.19Å; F163-Y255 HydrophobicContact CE2-CD1 4.27Å; F163-Y255 HydrophobicContact CE2-CE1 4.04Å; F163-Y255 AromaticContact CZ-CD1 3.55Å; F163-Y255 HydrophobicContact CZ-CD1 3.55Å; F163-Y255 AromaticContact CZ-CE1 3.53Å; F163-Y255 HydrophobicContact CZ-CE1 3.53Å; F163-Y255 HydrophobicContact CZ-CG 4.49Å; P164-Y255 VanDerWaalsContact CB-CB 3.44Å; P164-Y255 HydrophobicContact CB-CD1 4.25Å; P164-Y255 HydrophobicContact CB-CD2 4.18Å; P164-Y255 HydrophobicContact CB-CG 3.7Å; P164-Y255 HydrophobicContact CG-CG 4.41Å; E217-Y255 VanDerWaalsContact OE1-CE2 3.28Å; E217-Y255 WeakPolarHBondContact OE1-CE2 3.3Å; E217-Y255 PolarHBondContact OE1-OH 2.99Å; R250-Y255 HydrophobicContact CG-CE2 4.49Å; A252-Y255 PolarHBondContact O-N 3.13Å; L253-Y255 VanDerWaalsContact C-N 3.32Å; L253-Y255 PolarHBondContact O-N 3.33Å; Y255-I259 HydrophobicContact CD1-CD1 3.78Å; Y255-I259 HydrophobicContact CE1-CD1 4.48Å; Y255-I259 WeakPolarHBondContact O-CB 3.44Å; Y255-I259 PolarHBondContact O-N 3.5Å; Y255-I260 PolarHBondContact O-N 2.94Å
256	M	84.8	Confident	88.9	Confident	35 Å²	35	55.7 Å²	55.7	17%	0.172	26%	0.26	C	S	.	.	I	π-helix	trans	-59.8	-48.7	173.8	-77.6	-73.4	-85.9	0	0	112.1	F165 A252 L253 I260 I261 F721	F165-M256 HydrophobicContact CE2-SD 3.97Å; F165-M256 HydrophobicContact CZ-CE 4.08Å; F165-M256 HydrophobicContact CZ-CG 4.03Å; F165-M256 HydrophobicContact CZ-SD 3.53Å; F165-M256 VanDerWaalsContact CZ-SD 3.53Å; A252-M256 WeakPolarHBondContact O-CG 3.27Å; A252-M256 PolarHBondContact O-N 2.81Å; L253-M256 PolarHBondContact O-N 3.42Å; M256-I260 HydrophobicContact CG-CD1 4.41Å; M256-I260 PolarHBondContact O-N 3.24Å; M256-I260 HydrophobicContact SD-CB 4.25Å; M256-I260 HydrophobicContact SD-CD1 3.49Å; M256-I260 WeakPolarHBondContact SD-CD1 3.29Å; M256-I260 HydrophobicContact SD-CG1 4.44Å; M256-I260 HydrophobicContact SD-CG2 4.23Å; M256-I261 PolarHBondContact O-N 2.94Å; M256-F721 HydrophobicContact CE-CE2 3.62Å; M256-F721 HydrophobicContact CE-CZ 3.62Å
257	F	87.5	Confident	88.3	Confident	133 Å²	133	55.9 Å²	55.9	58%	0.583	26%	0.262	S	S	*	.	I	π-helix	trans	-75	-38.4	-179.7	-74.5	-72.5	0	0	0	113.5	L253 Y254 I261 P262	L253-F257 HydrophobicContact CD2-CE2 4.22Å; L253-F257 WeakPolarHBondContact O-CD2 3.37Å; L253-F257 PolarHBondContact O-N 2.92Å; Y254-F257 PolarHBondContact O-N 3.03Å; F257-I261 HydrophobicContact CD1-CD1 3.68Å; F257-I261 HydrophobicContact CE1-CD1 4Å; F257-P262 VanDerWaalsContact O-CD 3.31Å; F257-P262 WeakPolarHBondContact O-CD 3.37Å
258	N	88.6	Confident	87.7	Confident	78 Å²	78	56.5 Å²	56.5	42%	0.417	27%	0.269	S	S	.	.	I	π-helix	trans	-94.1	-15.8	-171.7	-64.9	-64.4	0	0	0	115.1	Y254	Y254-N258 VanDerWaalsContact CD2-ND2 3.33Å; Y254-N258 WeakPolarHBondContact CD2-ND2 3.34Å; Y254-N258 VanDerWaalsContact CE2-ND2 3.27Å; Y254-N258 WeakPolarHBondContact CE2-ND2 3.34Å; Y254-N258 WeakPolarHBondContact O-CB 3.49Å; Y254-N258 PolarHBondContact O-N 3.33Å; Y254-N258 PolarHBondContact O-ND2 3.38Å
259	I	88.5	Confident	87.4	Confident	10 Å²	10	59.3 Å²	59.3	5%	0.051	28%	0.283	C	S	.	.	I	π-helix	trans	-123.4	-53	-178.6	-49.7	-171.1	0	0	0	111.5	Y255 C263 V301 L315 F319	Y255-I259 HydrophobicContact CD1-CD1 3.78Å; Y255-I259 HydrophobicContact CE1-CD1 4.48Å; Y255-I259 WeakPolarHBondContact O-CB 3.44Å; Y255-I259 PolarHBondContact O-N 3.5Å; I259-C263 WeakPolarHBondContact O-CB 3.4Å; I259-C263 PolarHBondContact O-N 3.41Å; I259-C263 VanDerWaalsContact O-N 3.1Å; I259-V301 HydrophobicContact CD1-CG2 4.01Å; I259-V301 HydrophobicContact CG2-CG2 3.58Å; I259-L315 HydrophobicContact CG2-CD2 4.25Å; I259-F319 HydrophobicContact CG2-CE2 4.26Å; I259-F319 HydrophobicContact CG2-CZ 4.19Å
260	I	85.2	Confident	87	Confident	39 Å²	39	55.6 Å²	55.6	20%	0.2	27%	0.266	C	S	.	.	I	π-helix	trans	-72.3	-47	-172.1	-68.3	167.8	0	0	0	111.5	P164 F165 Y255 M256 C263 M264 L315	P164-I260 HydrophobicContact CG-CD1 3.96Å; F165-I260 HydrophobicContact CE2-CD1 4.3Å; Y255-I260 PolarHBondContact O-N 2.94Å; M256-I260 HydrophobicContact CG-CD1 4.41Å; M256-I260 PolarHBondContact O-N 3.24Å; M256-I260 HydrophobicContact SD-CB 4.25Å; M256-I260 HydrophobicContact SD-CD1 3.49Å; M256-I260 WeakPolarHBondContact SD-CD1 3.29Å; M256-I260 HydrophobicContact SD-CG1 4.44Å; M256-I260 HydrophobicContact SD-CG2 4.23Å; I260-C263 PolarHBondContact O-N 2.9Å; I260-M264 HydrophobicContact CG2-CG 4.48Å; I260-M264 WeakPolarHBondContact O-CG 3.33Å; I260-M264 PolarHBondContact O-N 3.37Å; I260-L315 HydrophobicContact CG1-CD1 4.31Å
261	I	86.5	Confident	86.6	Confident	80 Å²	80	56.6 Å²	56.6	41%	0.41	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-48.4	177.5	-72.1	176.3	0	0	0	112.4	M256 F257 C263 M264 I265	M256-I261 PolarHBondContact O-N 2.94Å; F257-I261 HydrophobicContact CD1-CD1 3.68Å; F257-I261 HydrophobicContact CE1-CD1 4Å; I261-C263 VanDerWaalsContact C-N 3.35Å; I261-C263 PolarHBondContact O-N 3.41Å; I261-M264 PolarHBondContact O-N 2.9Å; I261-I265 HydrophobicContact CG2-CD1 4.02Å; I261-I265 WeakPolarHBondContact O-CG1 3.34Å; I261-I265 PolarHBondContact O-N 3.46Å
262	P	89.2	Confident	86.4	Confident	39 Å²	39	55 Å²	55	25%	0.253	27%	0.273	S	S	.	.	H	α-helix	trans	-55.7	-44.8	172.7	-30.2	37.6	0	0	0	113.3	F257 M264 I265 M266 L297	F257-P262 VanDerWaalsContact O-CD 3.31Å; F257-P262 WeakPolarHBondContact O-CD 3.37Å; P262-M264 VanDerWaalsContact C-N 3.33Å; P262-M264 PolarHBondContact O-N 3.28Å; P262-I265 WeakPolarHBondContact O-CB 3.41Å; P262-I265 PolarHBondContact O-N 3.14Å; P262-I265 VanDerWaalsContact O-N 3.13Å; P262-M266 WeakPolarHBondContact O-CG 3.38Å; P262-M266 PolarHBondContact O-N 3.25Å; P262-L297 HydrophobicContact CB-CD1 4.27Å; P262-L297 HydrophobicContact CB-CD2 4.42Å
263	C	84.9	Confident	86.4	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.007	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-37.6	179.1	-164	0	0	0	0	112.8	I259 I260 I261 M266 S267 Y318 F319	I259-C263 WeakPolarHBondContact O-CB 3.4Å; I259-C263 PolarHBondContact O-N 3.41Å; I259-C263 VanDerWaalsContact O-N 3.1Å; I260-C263 PolarHBondContact O-N 2.9Å; I261-C263 VanDerWaalsContact C-N 3.35Å; I261-C263 PolarHBondContact O-N 3.41Å; C263-M266 PolarHBondContact O-N 3.4Å; C263-S267 PolarHBondContact O-N 3.06Å; C263-Y318 HydrophobicContact CB-CE1 4.08Å; C263-Y318 WeakPolarHBondContact SG-CE1 3.2Å; C263-F319 HydrophobicContact CB-CE1 4.16Å; C263-F319 HydrophobicContact CB-CZ 3.97Å; C263-F319 WeakPolarHBondContact SG-CE1 3.35Å
264	M	82.9	Confident	86.3	Confident	73 Å²	73	50.7 Å²	50.7	36%	0.36	25%	0.248	S	C	.	.	H	α-helix	trans	-62.9	-41	173	-69.1	-63.4	-68.7	0	0	111.7	I260 I261 P262 S267 M268 T707	I260-M264 HydrophobicContact CG2-CG 4.48Å; I260-M264 WeakPolarHBondContact O-CG 3.33Å; I260-M264 PolarHBondContact O-N 3.37Å; I261-M264 PolarHBondContact O-N 2.9Å; P262-M264 VanDerWaalsContact C-N 3.33Å; P262-M264 PolarHBondContact O-N 3.28Å; M264-S267 PolarHBondContact O-N 3.15Å; M264-S267 PolarHBondContact O-OG 3.09Å; M264-M268 PolarHBondContact O-N 3.04Å; M264-T707 HydrophobicContact CE-CG2 3.91Å; M264-T707 HydrophobicContact SD-CG2 4.42Å
265	I	88.7	Confident	86.1	Confident	96 Å²	96	46.7 Å²	46.7	49%	0.492	24%	0.24	S	C	.	.	H	α-helix	trans	-63.5	-44.2	174.4	-65.1	165.2	0	0	0	110.8	I261 P262 S267 M268 M269	I261-I265 HydrophobicContact CG2-CD1 4.02Å; I261-I265 WeakPolarHBondContact O-CG1 3.34Å; I261-I265 PolarHBondContact O-N 3.46Å; P262-I265 WeakPolarHBondContact O-CB 3.41Å; P262-I265 PolarHBondContact O-N 3.14Å; P262-I265 VanDerWaalsContact O-N 3.13Å; I265-S267 VanDerWaalsContact C-N 3.31Å; I265-S267 PolarHBondContact O-N 2.85Å; I265-M268 PolarHBondContact O-N 2.9Å; I265-M268 VanDerWaalsContact O-N 3.11Å; I265-M269 HydrophobicContact CG2-SD 4.45Å; I265-M269 PolarHBondContact O-N 3.06Å
266	M	87.4	Confident	86	Confident	20 Å²	20	48.2 Å²	48.2	10%	0.099	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-38.9	176.8	-66	-52	-59.1	0	0	112.5	P262 C263 M268 M269 A270 T290 L297	P262-M266 WeakPolarHBondContact O-CG 3.38Å; P262-M266 PolarHBondContact O-N 3.25Å; C263-M266 PolarHBondContact O-N 3.4Å; M266-M268 VanDerWaalsContact C-N 3.31Å; M266-M268 PolarHBondContact O-N 3.3Å; M266-M269 PolarHBondContact O-N 2.78Å; M266-M269 HydrophobicContact SD-SD 4.07Å; M266-A270 PolarHBondContact O-N 2.8Å; M266-T290 HydrophobicContact CE-CG2 3.9Å; M266-T290 WeakPolarHBondContact CE-O 3.45Å; M266-L297 HydrophobicContact CG-CD1 3.82Å
267	S	83	Confident	85.8	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.028	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-33.8	175.9	76	0	0	0	0	112.7	C263 M264 I265	C263-S267 PolarHBondContact O-N 3.06Å; M264-S267 PolarHBondContact O-N 3.15Å; M264-S267 PolarHBondContact O-OG 3.09Å; I265-S267 VanDerWaalsContact C-N 3.31Å; I265-S267 PolarHBondContact O-N 2.85Å
268	M	83.2	Confident	85.3	Confident	97 Å²	97	43.8 Å²	43.8	48%	0.478	24%	0.236	S	C	.	.	H	α-helix	trans	-71.5	-37.8	172.4	-62	-60.7	104.4	0	0	111.8	M264 I265 M266 A270 L271 L272	M264-M268 PolarHBondContact O-N 3.04Å; I265-M268 PolarHBondContact O-N 2.9Å; I265-M268 VanDerWaalsContact O-N 3.11Å; M266-M268 VanDerWaalsContact C-N 3.31Å; M266-M268 PolarHBondContact O-N 3.3Å; M268-A270 VanDerWaalsContact C-N 3.3Å; M268-A270 PolarHBondContact O-N 3.13Å; M268-L271 HydrophobicContact CE-CD1 4.1Å; M268-L271 WeakPolarHBondContact O-CB 3.47Å; M268-L271 PolarHBondContact O-N 3.39Å; M268-L271 VanDerWaalsContact O-N 3.11Å; M268-L271 HydrophobicContact SD-CD1 4.33Å; M268-L272 PolarHBondContact O-N 3.27Å
269	M	87.9	Confident	84.7	Confident	58 Å²	58	45.3 Å²	45.3	29%	0.286	24%	0.241	S	C	.	.	H	α-helix	trans	-61.3	-37.3	174.3	-70.4	-177.6	65.7	0	0	112.4	I265 M266 L271 L272 L286 T290	I265-M269 HydrophobicContact CG2-SD 4.45Å; I265-M269 PolarHBondContact O-N 3.06Å; M266-M269 PolarHBondContact O-N 2.78Å; M266-M269 HydrophobicContact SD-SD 4.07Å; M269-L271 PolarHBondContact O-N 3.38Å; M269-L272 PolarHBondContact O-N 3.1Å; M269-L272 VanDerWaalsContact O-N 3.13Å; M269-L286 HydrophobicContact CE-CD1 4.02Å; M269-T290 HydrophobicContact CB-CG2 4.42Å
270	A	83.8	Confident	84.1	Confident	6 Å²	6	46.3 Å²	46.3	5%	0.05	25%	0.25	C	S	.	.	H	α-helix	trans	-61.5	-28	174.9	0	0	0	0	0	113.4	M266 M268 T290	M266-A270 PolarHBondContact O-N 2.8Å; M268-A270 VanDerWaalsContact C-N 3.3Å; M268-A270 PolarHBondContact O-N 3.13Å; A270-T290 HydrophobicContact CB-CG2 4.14Å
271	L	85.1	Confident	83.8	Confident	31 Å²	31	50.5 Å²	50.5	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-78.7	-34.4	174.7	-60.2	177.2	0	0	0	112.2	M268 M269 V273 F274 T700 N703	M268-L271 HydrophobicContact CE-CD1 4.1Å; M268-L271 WeakPolarHBondContact O-CB 3.47Å; M268-L271 PolarHBondContact O-N 3.39Å; M268-L271 VanDerWaalsContact O-N 3.11Å; M268-L271 HydrophobicContact SD-CD1 4.33Å; M269-L271 PolarHBondContact O-N 3.38Å; L271-V273 PolarHBondContact O-N 3.29Å; L271-F274 PolarHBondContact O-N 2.97Å; L271-F274 VanDerWaalsContact O-N 3.13Å; L271-T700 HydrophobicContact CD1-CG2 4.17Å; L271-T700 HydrophobicContact CD2-CG2 3.77Å; L271-T700 HydrophobicContact CG-CG2 4.4Å; L271-N703 HydrophobicContact CD2-CB 4.1Å
272	L	86.1	Confident	83.9	Confident	89 Å²	89	53 Å²	53	47%	0.466	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-27.7	178.2	-67.8	175.9	0	0	0	112.8	M268 M269 F274 T275 L276 L286	M268-L272 PolarHBondContact O-N 3.27Å; M269-L272 PolarHBondContact O-N 3.1Å; M269-L272 VanDerWaalsContact O-N 3.13Å; L272-F274 PolarHBondContact O-N 3.1Å; L272-T275 WeakPolarHBondContact CA-OG1 3.39Å; L272-T275 HydrophobicContact CD2-CG2 4.33Å; L272-T275 WeakPolarHBondContact O-CA 3.22Å; L272-T275 PolarHBondContact O-N 3.05Å; L272-T275 PolarHBondContact O-OG1 3.42Å; L272-L276 PolarHBondContact O-N 3.42Å; L272-L286 HydrophobicContact CB-CD2 4.34Å
273	V	86.7	Confident	83.8	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-52.7	-37.7	173.7	-179.3	0	0	0	0	112.3	L271 K283 L286 A333	L271-V273 PolarHBondContact O-N 3.29Å; V273-K283 HydrophobicContact CG1-CG 4.13Å; V273-K283 WeakPolarHBondContact O-CE 3.31Å; V273-K283 WeakPolarHBondContact O-CG 3.36Å; V273-K283 PolarHBondContact O-NZ 2.67Å; V273-L286 HydrophobicContact CG2-CD2 4.1Å; V273-L286 HydrophobicContact CG2-CG 3.99Å; V273-A333 HydrophobicContact CG1-CB 4.48Å
274	F	85	Confident	84.1	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-86.8	-10.1	176.8	-63.8	-69.2	0	0	0	114.2	L271 L272 S329 D692 C695 L696 F699	L271-F274 PolarHBondContact O-N 2.97Å; L271-F274 VanDerWaalsContact O-N 3.13Å; L272-F274 PolarHBondContact O-N 3.1Å; F274-S329 WeakPolarHBondContact CE2-OG 3.47Å; F274-S329 WeakPolarHBondContact CZ-OG 3.38Å; F274-D692 WeakPolarHBondContact CD1-OD1 3.34Å; F274-C695 HydrophobicContact CD1-CB 3.68Å; F274-C695 HydrophobicContact CE1-CB 3.47Å; F274-C695 VanDerWaalsContact CE1-CB 3.47Å; F274-C695 HydrophobicContact CG-CB 4.47Å; F274-C695 HydrophobicContact CZ-CB 4.08Å; F274-L696 HydrophobicContact CB-CB 3.74Å; F274-L696 HydrophobicContact CB-CD1 4.27Å; F274-L696 HydrophobicContact CB-CG 4.02Å; F274-F699 HydrophobicContact CD2-CB 4.16Å; F274-F699 HydrophobicContact CD2-CD2 4.15Å; F274-F699 HydrophobicContact CD2-CG 4.45Å; F274-F699 HydrophobicContact CE1-CD2 4.18Å; F274-F699 HydrophobicContact CE1-CE2 4.37Å; F274-F699 HydrophobicContact CE2-CB 3.78Å; F274-F699 AromaticContact CE2-CD2 3.22Å; F274-F699 HydrophobicContact CE2-CD2 3.22Å; F274-F699 AromaticContact CE2-CE2 3.92Å; F274-F699 HydrophobicContact CE2-CE2 3.92Å; F274-F699 AromaticContact CE2-CG 3.62Å; F274-F699 HydrophobicContact CE2-CG 3.62Å; F274-F699 AromaticContact CZ-CD2 3.25Å; F274-F699 HydrophobicContact CZ-CD2 3.25Å; F274-F699 AromaticContact CZ-CE2 3.49Å; F274-F699 HydrophobicContact CZ-CE2 3.49Å; F274-F699 VanDerWaalsContact CZ-CE2 3.49Å; F274-F699 HydrophobicContact CZ-CG 4.09Å; F274-F699 HydrophobicContact CZ-CZ 4.47Å
275	T	84.4	Confident	84.5	Confident	72 Å²	72	54.5 Å²	54.5	44%	0.442	29%	0.293	S	S	.	.	H	α-helix	trans	-81.8	-28.5	172.3	70	0	0	0	0	112.4	L272 L696	L272-T275 WeakPolarHBondContact CA-OG1 3.39Å; L272-T275 HydrophobicContact CD2-CG2 4.33Å; L272-T275 WeakPolarHBondContact O-CA 3.22Å; L272-T275 PolarHBondContact O-N 3.05Å; L272-T275 PolarHBondContact O-OG1 3.42Å; T275-L696 HydrophobicContact CG2-CD1 4.11Å
276	L	86.7	Confident	84.6	Confident	47 Å²	47	52.3 Å²	52.3	25%	0.246	28%	0.282	C	S	.	.	S	Bend	trans	-77.6	126.6	-179.9	-163.1	75.3	0	0	0	110.6	L272 A280 E282 K283	L272-L276 PolarHBondContact O-N 3.42Å; L276-A280 HydrophobicContact CD1-CB 4.42Å; L276-A280 HydrophobicContact CD2-CB 4.18Å; L276-A280 HydrophobicContact CG-CB 4.11Å; L276-E282 HydrophobicContact CD2-CB 4.12Å; L276-K283 HydrophobicContact CD2-CB 4.1Å; L276-K283 PolarHBondContact O-NZ 2.98Å
277	P	81.4	Confident	84.8	Confident	66 Å²	66	51.7 Å²	51.7	43%	0.429	28%	0.28	S	S	.	.			trans	-67.8	148.5	-177.8	28.2	-35.3	0	0	0	111.7	E279 A280	P277-E279 PolarHBondContact O-N 3.46Å; P277-E279 VanDerWaalsContact O-N 3.09Å; P277-A280 HydrophobicContact CG-CB 4.5Å; P277-A280 PolarHBondContact O-N 2.91Å
278	P	77	Confident	85.3	Confident	10 Å²	10	55.1 Å²	55.1	7%	0.065	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.3	178.7	30.1	-36.9	0	0	0	113.8
279	E	74.8	Confident	85.7	Confident	110 Å²	110	53.8 Å²	53.8	51%	0.514	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-18.8	170.8	-61.3	174.1	-153.3	0	0	111.6	P277 R689	P277-E279 PolarHBondContact O-N 3.46Å; P277-E279 VanDerWaalsContact O-N 3.09Å; E279-R689 IonicContact OE1-CZ 3.36Å; E279-R689 IonicContact OE1-NE 3.33Å; E279-R689 IonicContact OE1-NH2 3.76Å; E279-R689 PolarHBondContact OE1-NH2 3.32Å
280	A	76.4	Confident	85.9	Confident	30 Å²	30	51.2 Å²	51.2	25%	0.248	29%	0.286	C	S	.	.	S	Bend	trans	-94.9	113	171	0	0	0	0	0	110.9	L276 P277 E282 K283	L276-A280 HydrophobicContact CD1-CB 4.42Å; L276-A280 HydrophobicContact CD2-CB 4.18Å; L276-A280 HydrophobicContact CG-CB 4.11Å; P277-A280 HydrophobicContact CG-CB 4.5Å; P277-A280 PolarHBondContact O-N 2.91Å; A280-E282 PolarHBondContact O-N 3.27Å; A280-K283 PolarHBondContact O-N 3.07Å
281	N	78.8	Confident	86.3	Confident	127 Å²	127	52.7 Å²	52.7	68%	0.679	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-4.9	-176.3	-66.7	-62	0	0	0	114.9	K283	N281-K283 VanDerWaalsContact C-N 3.34Å
282	E	87.8	Confident	86.7	Confident	134 Å²	134	55.9 Å²	55.9	63%	0.626	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.2	-179.7	-59.6	179.2	160	0	0	113.4	L276 A280 I284 V285 L286	L276-E282 HydrophobicContact CD2-CB 4.12Å; A280-E282 PolarHBondContact O-N 3.27Å; E282-I284 VanDerWaalsContact C-N 3.31Å; E282-I284 PolarHBondContact O-N 2.96Å; E282-V285 WeakPolarHBondContact O-CA 3.44Å; E282-V285 WeakPolarHBondContact O-CB 3.41Å; E282-V285 PolarHBondContact O-N 3.36Å; E282-L286 PolarHBondContact O-N 3.36Å
283	K	88.6	Confident	87	Confident	8 Å²	8	53.7 Å²	53.7	4%	0.035	30%	0.302	C	S	.	.	H	α-helix	trans	-53.8	-42.9	-175.5	-169.4	175.9	-179.2	112.4	0	113.4	V273 L276 A280 N281 G287 D692	V273-K283 HydrophobicContact CG1-CG 4.13Å; V273-K283 WeakPolarHBondContact O-CE 3.31Å; V273-K283 WeakPolarHBondContact O-CG 3.36Å; V273-K283 PolarHBondContact O-NZ 2.67Å; L276-K283 HydrophobicContact CD2-CB 4.1Å; L276-K283 PolarHBondContact O-NZ 2.98Å; A280-K283 PolarHBondContact O-N 3.07Å; N281-K283 VanDerWaalsContact C-N 3.34Å; K283-G287 PolarHBondContact O-N 2.77Å; K283-D692 IonicContact NZ-OD1 3.59Å; K283-D692 PolarHBondContact NZ-OD1 3.25Å; K283-D692 IonicContact NZ-OD2 2.67Å; K283-D692 PolarHBondContact NZ-OD2 3.19Å
284	I	90	Very high	87.2	Confident	43 Å²	43	54 Å²	54	22%	0.221	30%	0.303	C	S	.	.	H	α-helix	trans	-72.9	-36.4	178.3	-56.1	-55	0	0	0	111.3	E282 G287 V288 L330 A333 V334 L337	E282-I284 VanDerWaalsContact C-N 3.31Å; E282-I284 PolarHBondContact O-N 2.96Å; I284-G287 PolarHBondContact O-N 3.18Å; I284-V288 HydrophobicContact CG2-CG2 4.3Å; I284-V288 WeakPolarHBondContact O-CG2 3.45Å; I284-V288 PolarHBondContact O-N 3.26Å; I284-L330 HydrophobicContact CG2-CD1 4.28Å; I284-A333 HydrophobicContact CD1-CB 4.02Å; I284-V334 HydrophobicContact CD1-CG2 3.82Å; I284-L337 HydrophobicContact CD1-CD2 4.32Å; I284-L337 HydrophobicContact CG1-CD2 3.85Å
285	V	91.5	Very high	87.5	Confident	93 Å²	93	55.7 Å²	55.7	56%	0.564	31%	0.314	S	S	*	.	H	α-helix	trans	-63	-49.2	177.8	-175.3	0	0	0	0	110	E282 G287 V288 T289	E282-V285 WeakPolarHBondContact O-CA 3.44Å; E282-V285 WeakPolarHBondContact O-CB 3.41Å; E282-V285 PolarHBondContact O-N 3.36Å; V285-G287 VanDerWaalsContact C-N 3.32Å; V285-G287 PolarHBondContact O-N 3.46Å; V285-V288 PolarHBondContact O-N 3Å; V285-T289 WeakPolarHBondContact O-CB 3.4Å; V285-T289 PolarHBondContact O-N 3.5Å; V285-T289 PolarHBondContact O-OG1 3.41Å
286	L	91.5	Very high	88	Confident	49 Å²	49	57.6 Å²	57.6	26%	0.257	32%	0.319	S	S	.	.	H	α-helix	trans	-57.1	-43.9	176.7	-178.8	62.1	0	0	0	111.8	M269 L272 V273 E282 T290	M269-L286 HydrophobicContact CE-CD1 4.02Å; L272-L286 HydrophobicContact CB-CD2 4.34Å; V273-L286 HydrophobicContact CG2-CD2 4.1Å; V273-L286 HydrophobicContact CG2-CG 3.99Å; E282-L286 PolarHBondContact O-N 3.36Å; L286-T290 VanDerWaalsContact O-CB 3.29Å; L286-T290 WeakPolarHBondContact O-CB 3.46Å; L286-T290 PolarHBondContact O-N 3.08Å; L286-T290 PolarHBondContact O-OG1 3.36Å
287	G	90.9	Very high	88.1	Confident	7 Å²	7	56.8 Å²	56.8	7%	0.072	32%	0.315	C	S	.	.	H	α-helix	trans	-63.8	-45.2	177.2	0	0	0	0	0	113.6	K283 I284 V285 T290 L291	K283-G287 PolarHBondContact O-N 2.77Å; I284-G287 PolarHBondContact O-N 3.18Å; V285-G287 VanDerWaalsContact C-N 3.32Å; V285-G287 PolarHBondContact O-N 3.46Å; G287-T290 PolarHBondContact O-N 3.06Å; G287-L291 PolarHBondContact O-N 2.87Å; G287-L291 VanDerWaalsContact O-N 3.1Å
288	V	92.8	Very high	88.5	Confident	76 Å²	76	55.6 Å²	55.6	46%	0.461	31%	0.305	S	S	.	.	H	α-helix	trans	-66.6	-44.8	178.6	171.6	0	0	0	0	111.6	I284 V285 T290 L291 L292 L330	I284-V288 HydrophobicContact CG2-CG2 4.3Å; I284-V288 WeakPolarHBondContact O-CG2 3.45Å; I284-V288 PolarHBondContact O-N 3.26Å; V285-V288 PolarHBondContact O-N 3Å; V288-T290 VanDerWaalsContact C-N 3.33Å; V288-T290 PolarHBondContact O-N 3.14Å; V288-L291 PolarHBondContact O-N 2.77Å; V288-L292 PolarHBondContact O-N 3.3Å; V288-L330 HydrophobicContact CG2-CD1 4.12Å; V288-L330 HydrophobicContact CG2-CD2 3.88Å
289	T	93	Very high	89.2	Confident	70 Å²	70	60.7 Å²	60.7	43%	0.429	33%	0.328	S	S	.	.	H	α-helix	trans	-61.5	-42	175.7	-63	0	0	0	0	111.3	V285 L291 L292 S293	V285-T289 WeakPolarHBondContact O-CB 3.4Å; V285-T289 PolarHBondContact O-N 3.5Å; V285-T289 PolarHBondContact O-OG1 3.41Å; T289-L291 VanDerWaalsContact C-N 3.34Å; T289-L291 PolarHBondContact O-N 3.39Å; T289-L292 PolarHBondContact O-N 2.91Å; T289-S293 PolarHBondContact O-N 3.02Å; T289-S293 PolarHBondContact O-OG 2.94Å
290	T	91.1	Very high	90	Very high	4 Å²	4	60 Å²	60	3%	0.025	33%	0.327	C	S	.	.	H	α-helix	trans	-58.4	-44.8	176.5	-60.3	0	0	0	0	111.5	M266 M269 A270 L286 G287 V288 L294	M266-T290 HydrophobicContact CE-CG2 3.9Å; M266-T290 WeakPolarHBondContact CE-O 3.45Å; M269-T290 HydrophobicContact CB-CG2 4.42Å; A270-T290 HydrophobicContact CB-CG2 4.14Å; L286-T290 VanDerWaalsContact O-CB 3.29Å; L286-T290 WeakPolarHBondContact O-CB 3.46Å; L286-T290 PolarHBondContact O-N 3.08Å; L286-T290 PolarHBondContact O-OG1 3.36Å; G287-T290 PolarHBondContact O-N 3.06Å; V288-T290 VanDerWaalsContact C-N 3.33Å; V288-T290 PolarHBondContact O-N 3.14Å; T290-L294 WeakPolarHBondContact O-CB 3.23Å; T290-L294 PolarHBondContact O-N 2.92Å
291	L	92	Very high	90.6	Very high	36 Å²	36	58.5 Å²	58.5	19%	0.188	32%	0.315	C	S	.	.	H	α-helix	trans	-66.7	-39.9	178.3	-174.5	64.6	0	0	0	112.8	G287 V288 T289 T295 M323 C326 L330	G287-L291 PolarHBondContact O-N 2.87Å; G287-L291 VanDerWaalsContact O-N 3.1Å; V288-L291 PolarHBondContact O-N 2.77Å; T289-L291 VanDerWaalsContact C-N 3.34Å; T289-L291 PolarHBondContact O-N 3.39Å; L291-T295 PolarHBondContact O-N 2.96Å; L291-T295 PolarHBondContact O-OG1 3.41Å; L291-M323 HydrophobicContact CD1-CG 3.94Å; L291-C326 HydrophobicContact CD1-CB 4.11Å; L291-L330 HydrophobicContact CD2-CD2 4.36Å
292	L	93.5	Very high	91.1	Very high	99 Å²	99	55.1 Å²	55.1	52%	0.518	31%	0.305	S	S	.	.	H	α-helix	trans	-66	-47.8	178.2	-179.6	61.3	0	0	0	111.7	V288 T289 L294 T295 M296	V288-L292 PolarHBondContact O-N 3.3Å; T289-L292 PolarHBondContact O-N 2.91Å; L292-L294 VanDerWaalsContact C-N 3.33Å; L292-L294 PolarHBondContact O-N 3.48Å; L292-T295 WeakPolarHBondContact O-CB 3.29Å; L292-T295 PolarHBondContact O-N 2.88Å; L292-T295 VanDerWaalsContact O-N 3.13Å; L292-M296 PolarHBondContact O-N 3.41Å
293	S	93.6	Very high	91.1	Very high	43 Å²	43	53.7 Å²	53.7	30%	0.301	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-36.5	177.6	-66.2	0	0	0	0	112.4	T289 T295 M296 L297	T289-S293 PolarHBondContact O-N 3.02Å; T289-S293 PolarHBondContact O-OG 2.94Å; S293-T295 VanDerWaalsContact C-N 3.33Å; S293-M296 PolarHBondContact O-N 3.35Å; S293-L297 WeakPolarHBondContact O-CG 3.45Å; S293-L297 PolarHBondContact O-N 2.72Å
294	L	90.7	Very high	91	Very high	7 Å²	7	58.5 Å²	58.5	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-39.5	172.2	-172.8	69.8	0	0	0	111.9	T290 L292 L297 L298 F319 M323	T290-L294 WeakPolarHBondContact O-CB 3.23Å; T290-L294 PolarHBondContact O-N 2.92Å; L292-L294 VanDerWaalsContact C-N 3.33Å; L292-L294 PolarHBondContact O-N 3.48Å; L294-L297 PolarHBondContact O-N 3.47Å; L294-L298 PolarHBondContact O-N 2.97Å; L294-F319 HydrophobicContact CD1-CD1 3.68Å; L294-F319 HydrophobicContact CD1-CE1 3.92Å; L294-F319 HydrophobicContact CG-CD1 4.37Å; L294-M323 HydrophobicContact CD2-CB 3.99Å
295	T	91.7	Very high	90.9	Very high	39 Å²	39	57.1 Å²	57.1	24%	0.239	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-40.9	176.9	-54.5	0	0	0	0	111.6	L291 L292 S293 L298 Q299	L291-T295 PolarHBondContact O-N 2.96Å; L291-T295 PolarHBondContact O-OG1 3.41Å; L292-T295 WeakPolarHBondContact O-CB 3.29Å; L292-T295 PolarHBondContact O-N 2.88Å; L292-T295 VanDerWaalsContact O-N 3.13Å; S293-T295 VanDerWaalsContact C-N 3.33Å; T295-L298 PolarHBondContact O-N 3.29Å; T295-Q299 WeakPolarHBondContact O-CG 3.29Å; T295-Q299 PolarHBondContact O-N 3.01Å
296	M	93.2	Very high	90.8	Very high	112 Å²	112	53.2 Å²	53.2	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-65	-40.3	175.1	-72.9	179	161.9	0	0	112.7	L292 S293 L298 Q299 L300	L292-M296 PolarHBondContact O-N 3.41Å; S293-M296 PolarHBondContact O-N 3.35Å; M296-L298 VanDerWaalsContact C-N 3.35Å; M296-Q299 PolarHBondContact O-N 3.02Å; M296-L300 PolarHBondContact O-N 3.26Å
297	L	89.9	Confident	90.6	Very high	30 Å²	30	59.9 Å²	59.9	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-64.7	-37.8	174.7	-72.7	172.2	0	0	0	112.2	P262 M266 S293 L294 L300 V301 F319	P262-L297 HydrophobicContact CB-CD1 4.27Å; P262-L297 HydrophobicContact CB-CD2 4.42Å; M266-L297 HydrophobicContact CG-CD1 3.82Å; S293-L297 WeakPolarHBondContact O-CG 3.45Å; S293-L297 PolarHBondContact O-N 2.72Å; L294-L297 PolarHBondContact O-N 3.47Å; L297-L300 PolarHBondContact O-N 3.49Å; L297-V301 WeakPolarHBondContact O-CG2 3.16Å; L297-V301 PolarHBondContact O-N 3.5Å; L297-F319 HydrophobicContact CB-CE1 3.73Å; L297-F319 HydrophobicContact CB-CZ 4.11Å
298	L	89.5	Confident	90.2	Very high	40 Å²	40	61.1 Å²	61.1	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-65.6	-38.3	173.6	177.3	57.3	0	0	0	112.1	L294 T295 M296 V301 A302 F319	L294-L298 PolarHBondContact O-N 2.97Å; T295-L298 PolarHBondContact O-N 3.29Å; M296-L298 VanDerWaalsContact C-N 3.35Å; L298-V301 PolarHBondContact O-N 3.43Å; L298-A302 WeakPolarHBondContact O-CB 3.37Å; L298-A302 PolarHBondContact O-N 3.45Å; L298-F319 HydrophobicContact CB-CB 4.43Å; L298-F319 HydrophobicContact CB-CD1 4.25Å; L298-F319 HydrophobicContact CB-CG 4.35Å; L298-F319 HydrophobicContact CD1-CB 3.83Å; L298-F319 HydrophobicContact CD1-CD2 4.42Å; L298-F319 HydrophobicContact CD1-CG 4.17Å; L298-F319 HydrophobicContact CD2-CB 4.44Å; L298-F319 HydrophobicContact CG-CB 4.45Å
299	Q	92	Very high	89.6	Confident	118 Å²	118	63.1 Å²	63.1	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-62.5	-45.1	174.4	-74.4	174.3	-20.9	0	0	112	T295 M296 V301 A302 D303	T295-Q299 WeakPolarHBondContact O-CG 3.29Å; T295-Q299 PolarHBondContact O-N 3.01Å; M296-Q299 PolarHBondContact O-N 3.02Å; Q299-V301 PolarHBondContact O-N 3.31Å; Q299-A302 PolarHBondContact O-N 3.26Å; Q299-A302 VanDerWaalsContact O-N 3.14Å; Q299-D303 PolarHBondContact O-N 2.74Å
300	L	90.7	Very high	88.9	Confident	94 Å²	94	65 Å²	65	49%	0.492	36%	0.361	S	S	.	.	H	α-helix	trans	-57.7	-35.8	175.4	179.3	64.8	0	0	0	112.8	M296 L297	M296-L300 PolarHBondContact O-N 3.26Å; L297-L300 PolarHBondContact O-N 3.49Å
301	V	89.2	Confident	88	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-74.1	-43.3	174.8	170.9	0	0	0	0	111.5	I259 L297 L298 Q299 D303 K304 L305 L315 V316 F319	I259-V301 HydrophobicContact CD1-CG2 4.01Å; I259-V301 HydrophobicContact CG2-CG2 3.58Å; L297-V301 WeakPolarHBondContact O-CG2 3.16Å; L297-V301 PolarHBondContact O-N 3.5Å; L298-V301 PolarHBondContact O-N 3.43Å; Q299-V301 PolarHBondContact O-N 3.31Å; V301-D303 VanDerWaalsContact C-N 3.31Å; V301-D303 PolarHBondContact O-N 3.04Å; V301-K304 PolarHBondContact O-N 3.28Å; V301-K304 VanDerWaalsContact O-N 3.09Å; V301-L305 HydrophobicContact CG1-CD1 3.68Å; V301-L305 WeakPolarHBondContact O-CG 3.46Å; V301-L315 HydrophobicContact CG1-CD2 4.26Å; V301-L315 HydrophobicContact CG2-CD2 4.36Å; V301-V316 HydrophobicContact CG1-CG2 4.2Å; V301-F319 HydrophobicContact CG2-CE2 3.88Å; V301-F319 HydrophobicContact CG2-CZ 4.33Å
302	A	89.1	Confident	87.4	Confident	56 Å²	56	69.4 Å²	69.4	46%	0.463	39%	0.387	S	S	.	.	H	α-helix	trans	-64.5	-32.5	-180	0	0	0	0	0	113.1	L298 Q299 K304 L305	L298-A302 WeakPolarHBondContact O-CB 3.37Å; L298-A302 PolarHBondContact O-N 3.45Å; Q299-A302 PolarHBondContact O-N 3.26Å; Q299-A302 VanDerWaalsContact O-N 3.14Å; A302-K304 PolarHBondContact O-N 2.99Å; A302-L305 PolarHBondContact O-N 2.91Å
303	D	89.2	Confident	87.1	Confident	103 Å²	103	65.1 Å²	65.1	55%	0.551	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-13.1	174.8	-92.7	-39.7	0	0	0	114.3	K74 Q299 V301	K74-D303 IonicContact NZ-OD1 3.58Å; K74-D303 PolarHBondContact NZ-OD1 3.19Å; K74-D303 VanDerWaalsContact NZ-OD1 3.16Å; Q299-D303 PolarHBondContact O-N 2.74Å; V301-D303 VanDerWaalsContact C-N 3.31Å; V301-D303 PolarHBondContact O-N 3.04Å
304	K	85.4	Confident	86.7	Confident	109 Å²	109	64.7 Å²	64.7	47%	0.474	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	9.6	-179.6	-69.7	-60.7	-167.8	173.9	0	114.2	V301 A302	V301-K304 PolarHBondContact O-N 3.28Å; V301-K304 VanDerWaalsContact O-N 3.09Å; A302-K304 PolarHBondContact O-N 2.99Å
305	L	88.6	Confident	86.4	Confident	14 Å²	14	65.1 Å²	65.1	7%	0.073	36%	0.362	C	S	.	.	S	Bend	trans	-125.1	146.6	-178.8	-67.4	167.3	0	0	0	111.3	V160 F163 V301 A302 P313 V316	V160-L305 HydrophobicContact CB-CD2 4.12Å; V160-L305 HydrophobicContact CG1-CD2 3.95Å; F163-L305 HydrophobicContact CD1-CD2 4.34Å; F163-L305 HydrophobicContact CD2-CD2 4.21Å; F163-L305 HydrophobicContact CE2-CD2 4.49Å; F163-L305 HydrophobicContact CG-CD2 4.12Å; V301-L305 HydrophobicContact CG1-CD1 3.68Å; V301-L305 WeakPolarHBondContact O-CG 3.46Å; A302-L305 PolarHBondContact O-N 2.91Å; L305-P313 HydrophobicContact CD1-CG 3.98Å; L305-P313 HydrophobicContact CD2-CG 4.31Å; L305-V316 HydrophobicContact CD1-CG2 3.8Å
306	P	89.8	Confident	86.2	Confident	11 Å²	11	65 Å²	65	7%	0.071	36%	0.361	C	S	.	.			trans	-57.6	150.4	165.3	20.2	-29.6	0	0	0	111.7	E73 Q76 V160 T308	E73-P306 VanDerWaalsContact O-CB 3.22Å; E73-P306 WeakPolarHBondContact O-CB 3.25Å; E73-P306 VanDerWaalsContact O-CD 3.3Å; E73-P306 WeakPolarHBondContact O-CD 3.48Å; E73-P306 WeakPolarHBondContact O-CG 3.35Å; Q76-P306 HydrophobicContact CG-CB 4.23Å; V160-P306 HydrophobicContact CG1-CG 3.62Å; P306-T308 HydrophobicContact CB-CG2 3.93Å; P306-T308 HydrophobicContact CG-CG2 4.46Å; P306-T308 PolarHBondContact O-N 3.21Å
307	Q	86.1	Confident	85.8	Confident	189 Å²	189	64.5 Å²	64.5	88%	0.883	36%	0.36	S	S	*	.			trans	-82.6	39.7	175.5	-61.7	-172.8	-7.5	0	0	112
308	T	83.5	Confident	85.6	Confident	33 Å²	33	63.7 Å²	63.7	20%	0.202	36%	0.355	C	S	.	.			trans	-86.3	135.5	-177.4	44.5	0	0	0	0	112.3	P306	P306-T308 HydrophobicContact CB-CG2 3.93Å; P306-T308 HydrophobicContact CG-CG2 4.46Å; P306-T308 PolarHBondContact O-N 3.21Å
309	S	80.5	Confident	85.5	Confident	118 Å²	118	61.8 Å²	61.8	83%	0.825	35%	0.345	S	S	*	.	S	Bend	trans	-94.3	-2.8	174.1	55.5	0	0	0	0	114.4
310	S	77.1	Confident	85.3	Confident	111 Å²	111	59.1 Å²	59.1	78%	0.776	34%	0.337	S	S	*	.	S	Bend	trans	-74.6	-30.2	-177.6	46.1	0	0	0	0	113.9
311	G	72.5	Confident	85.1	Confident	7 Å²	7	56.6 Å²	56.6	7%	0.072	33%	0.327	C	S	.	.			trans	-139.5	118.8	178.1	0	0	0	0	0	111	V160 N161	V160-G311 VanDerWaalsContact CG2-O 3.29Å; V160-G311 WeakPolarHBondContact CG2-O 3.33Å; N161-G311 WeakPolarHBondContact OD1-CA 3.27Å
312	N	79.7	Confident	84.9	Confident	125 Å²	125	56.8 Å²	56.8	67%	0.668	33%	0.328	S	S	*	.			trans	-93.3	117.3	174.8	-73.3	-32.1	0	0	0	108.8	V314	N312-V314 PolarHBondContact O-N 3.04Å
313	P	86.2	Confident	84.9	Confident	9 Å²	9	57.3 Å²	57.3	6%	0.058	32%	0.322	C	S	.	.			trans	-60.5	137.7	180	-21.9	31.3	0	0	0	111.9	V160 L305 L315 V316 L317	V160-P313 HydrophobicContact CB-CG 3.98Å; V160-P313 HydrophobicContact CG2-CG 3.74Å; V160-P313 WeakPolarHBondContact O-CB 3.27Å; L305-P313 HydrophobicContact CD1-CG 3.98Å; L305-P313 HydrophobicContact CD2-CG 4.31Å; P313-L315 PolarHBondContact O-N 3.39Å; P313-L315 VanDerWaalsContact O-N 3.14Å; P313-V316 HydrophobicContact CB-CB 4.29Å; P313-V316 HydrophobicContact CB-CG2 4Å; P313-V316 HydrophobicContact CG-CB 4.44Å; P313-V316 HydrophobicContact CG-CG2 3.91Å; P313-V316 PolarHBondContact O-N 2.96Å; P313-L317 PolarHBondContact O-N 2.98Å; P313-L317 VanDerWaalsContact O-N 3.08Å
314	V	85	Confident	85	Confident	33 Å²	33	56.9 Å²	56.9	20%	0.2	32%	0.318	C	S	.	.	H	α-helix	trans	-56.7	-31.7	174.2	177.5	0	0	0	0	111.2	N161 W162 N312 L317 Y318 I710	N161-V314 PolarHBondContact O-N 3.45Å; W162-V314 HydrophobicContact CE3-CG2 4.35Å; W162-V314 HydrophobicContact CZ3-CG2 3.98Å; N312-V314 PolarHBondContact O-N 3.04Å; V314-L317 PolarHBondContact O-N 2.98Å; V314-Y318 PolarHBondContact O-N 3.13Å; V314-I710 HydrophobicContact CG1-CG2 4.12Å
315	L	84.8	Confident	85.1	Confident	16 Å²	16	52.5 Å²	52.5	8%	0.084	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-40.7	173	-173.5	65.9	0	0	0	113	F163 I259 I260 V301 P313 Y318 F319	F163-L315 HydrophobicContact CD1-CD2 3.85Å; F163-L315 HydrophobicContact CE1-CD2 3.96Å; I259-L315 HydrophobicContact CG2-CD2 4.25Å; I260-L315 HydrophobicContact CG1-CD1 4.31Å; V301-L315 HydrophobicContact CG1-CD2 4.26Å; V301-L315 HydrophobicContact CG2-CD2 4.36Å; P313-L315 PolarHBondContact O-N 3.39Å; P313-L315 VanDerWaalsContact O-N 3.14Å; L315-Y318 HydrophobicContact CD1-CD1 4.43Å; L315-Y318 WeakPolarHBondContact O-CB 3.4Å; L315-Y318 PolarHBondContact O-N 3.29Å; L315-F319 HydrophobicContact CD1-CD2 4.37Å; L315-F319 HydrophobicContact CD1-CE2 3.93Å; L315-F319 HydrophobicContact CD2-CE2 4.39Å; L315-F319 HydrophobicContact CG-CD2 4.12Å; L315-F319 HydrophobicContact CG-CE2 3.88Å; L315-F319 VanDerWaalsContact O-CD2 3.23Å; L315-F319 WeakPolarHBondContact O-CD2 3.2Å; L315-F319 PolarHBondContact O-N 3.35Å
316	V	87.2	Confident	85.2	Confident	37 Å²	37	52.4 Å²	52.4	22%	0.224	30%	0.301	C	S	.	.	H	α-helix	trans	-70.9	-35.1	177.8	174.3	0	0	0	0	110.7	V301 L305 P313 Y318 F319 T320	V301-V316 HydrophobicContact CG1-CG2 4.2Å; L305-V316 HydrophobicContact CD1-CG2 3.8Å; P313-V316 HydrophobicContact CB-CB 4.29Å; P313-V316 HydrophobicContact CB-CG2 4Å; P313-V316 HydrophobicContact CG-CB 4.44Å; P313-V316 HydrophobicContact CG-CG2 3.91Å; P313-V316 PolarHBondContact O-N 2.96Å; V316-Y318 VanDerWaalsContact C-N 3.33Å; V316-Y318 PolarHBondContact O-N 3Å; V316-F319 PolarHBondContact O-N 2.8Å; V316-T320 WeakPolarHBondContact O-CB 3.28Å; V316-T320 PolarHBondContact O-N 3.05Å; V316-T320 PolarHBondContact O-OG1 3.03Å
317	L	85.8	Confident	85.2	Confident	102 Å²	102	54 Å²	54	53%	0.534	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-40.9	170.7	-178.3	61	0	0	0	111.4	P313 V314 T320 C321	P313-L317 PolarHBondContact O-N 2.98Å; P313-L317 VanDerWaalsContact O-N 3.08Å; V314-L317 PolarHBondContact O-N 2.98Å; L317-T320 PolarHBondContact O-N 2.83Å; L317-C321 WeakPolarHBondContact O-CB 3.45Å; L317-C321 PolarHBondContact O-N 3.02Å; L317-C321 PolarHBondContact O-SG 3.13Å; L317-C321 VanDerWaalsContact O-SG 3.37Å
318	Y	85.3	Confident	85.4	Confident	12 Å²	12	49.4 Å²	49.4	5%	0.047	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-50	174.1	177.5	-141.5	0	0	0	112.8	C263 V314 L315 V316 T320 C321 T322 I710	C263-Y318 HydrophobicContact CB-CE1 4.08Å; C263-Y318 WeakPolarHBondContact SG-CE1 3.2Å; V314-Y318 PolarHBondContact O-N 3.13Å; L315-Y318 HydrophobicContact CD1-CD1 4.43Å; L315-Y318 WeakPolarHBondContact O-CB 3.4Å; L315-Y318 PolarHBondContact O-N 3.29Å; V316-Y318 VanDerWaalsContact C-N 3.33Å; V316-Y318 PolarHBondContact O-N 3Å; Y318-T320 VanDerWaalsContact C-N 3.29Å; Y318-T320 PolarHBondContact O-N 3.35Å; Y318-C321 PolarHBondContact O-N 2.76Å; Y318-T322 HydrophobicContact CD2-CG2 3.68Å; Y318-T322 HydrophobicContact CE2-CG2 3.34Å; Y318-T322 WeakPolarHBondContact O-CB 3.39Å; Y318-T322 PolarHBondContact O-N 3.08Å; Y318-T322 PolarHBondContact O-OG1 3.06Å; Y318-I710 VanDerWaalsContact CB-CD1 3.45Å; Y318-I710 HydrophobicContact CD2-CD1 3.2Å; Y318-I710 HydrophobicContact CE2-CD1 4.07Å; Y318-I710 HydrophobicContact CG-CD1 3.51Å
319	F	87.7	Confident	85.7	Confident	1 Å²	1	48.1 Å²	48.1	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-40.6	174.9	-81.6	-72.5	0	0	0	111.8	I259 C263 L294 L297 L298 V301 L315 V316 T322 M323	I259-F319 HydrophobicContact CG2-CE2 4.26Å; I259-F319 HydrophobicContact CG2-CZ 4.19Å; C263-F319 HydrophobicContact CB-CE1 4.16Å; C263-F319 HydrophobicContact CB-CZ 3.97Å; C263-F319 WeakPolarHBondContact SG-CE1 3.35Å; L294-F319 HydrophobicContact CD1-CD1 3.68Å; L294-F319 HydrophobicContact CD1-CE1 3.92Å; L294-F319 HydrophobicContact CG-CD1 4.37Å; L297-F319 HydrophobicContact CB-CE1 3.73Å; L297-F319 HydrophobicContact CB-CZ 4.11Å; L298-F319 HydrophobicContact CB-CB 4.43Å; L298-F319 HydrophobicContact CB-CD1 4.25Å; L298-F319 HydrophobicContact CB-CG 4.35Å; L298-F319 HydrophobicContact CD1-CB 3.83Å; L298-F319 HydrophobicContact CD1-CD2 4.42Å; L298-F319 HydrophobicContact CD1-CG 4.17Å; L298-F319 HydrophobicContact CD2-CB 4.44Å; L298-F319 HydrophobicContact CG-CB 4.45Å; V301-F319 HydrophobicContact CG2-CE2 3.88Å; V301-F319 HydrophobicContact CG2-CZ 4.33Å; L315-F319 HydrophobicContact CD1-CD2 4.37Å; L315-F319 HydrophobicContact CD1-CE2 3.93Å; L315-F319 HydrophobicContact CD2-CE2 4.39Å; L315-F319 HydrophobicContact CG-CD2 4.12Å; L315-F319 HydrophobicContact CG-CE2 3.88Å; L315-F319 VanDerWaalsContact O-CD2 3.23Å; L315-F319 WeakPolarHBondContact O-CD2 3.2Å; L315-F319 PolarHBondContact O-N 3.35Å; V316-F319 PolarHBondContact O-N 2.8Å; F319-T322 WeakPolarHBondContact CA-OG1 3.41Å; F319-T322 PolarHBondContact O-OG1 3.35Å; F319-T322 VanDerWaalsContact O-OG1 3.07Å; F319-M323 WeakPolarHBondContact O-CB 3.19Å; F319-M323 PolarHBondContact O-N 3.03Å
320	T	86.9	Confident	86.2	Confident	61 Å²	61	44 Å²	44	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-49	177.7	-55.1	0	0	0	0	111.7	V316 L317 Y318 M323 I324	V316-T320 WeakPolarHBondContact O-CB 3.28Å; V316-T320 PolarHBondContact O-N 3.05Å; V316-T320 PolarHBondContact O-OG1 3.03Å; L317-T320 PolarHBondContact O-N 2.83Å; Y318-T320 VanDerWaalsContact C-N 3.29Å; Y318-T320 PolarHBondContact O-N 3.35Å; T320-M323 PolarHBondContact O-N 3.32Å; T320-I324 HydrophobicContact CG2-CD1 4.12Å; T320-I324 WeakPolarHBondContact O-CG1 3.23Å; T320-I324 PolarHBondContact O-N 2.98Å
321	C	87.1	Confident	86.9	Confident	42 Å²	42	43.1 Å²	43.1	28%	0.284	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-43	178.3	-71.3	0	0	0	0	112.1	L317 Y318 I324 L325 T706	L317-C321 WeakPolarHBondContact O-CB 3.45Å; L317-C321 PolarHBondContact O-N 3.02Å; L317-C321 PolarHBondContact O-SG 3.13Å; L317-C321 VanDerWaalsContact O-SG 3.37Å; Y318-C321 PolarHBondContact O-N 2.76Å; C321-I324 PolarHBondContact O-N 3.18Å; C321-L325 WeakPolarHBondContact O-CB 3.47Å; C321-L325 WeakPolarHBondContact O-CG 3.44Å; C321-L325 PolarHBondContact O-N 2.94Å; C321-T706 HydrophobicContact CB-CG2 4.27Å
322	T	86.1	Confident	87.6	Confident	4 Å²	4	44.7 Å²	44.7	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-37	176.7	47.6	0	0	0	0	112.3	Y318 F319 L325 C326	Y318-T322 HydrophobicContact CD2-CG2 3.68Å; Y318-T322 HydrophobicContact CE2-CG2 3.34Å; Y318-T322 WeakPolarHBondContact O-CB 3.39Å; Y318-T322 PolarHBondContact O-N 3.08Å; Y318-T322 PolarHBondContact O-OG1 3.06Å; F319-T322 WeakPolarHBondContact CA-OG1 3.41Å; F319-T322 PolarHBondContact O-OG1 3.35Å; F319-T322 VanDerWaalsContact O-OG1 3.07Å; T322-L325 PolarHBondContact O-N 3.21Å; T322-C326 WeakPolarHBondContact O-CB 3.45Å; T322-C326 PolarHBondContact O-N 2.97Å; T322-C326 PolarHBondContact O-SG 3.4Å
323	M	89.2	Confident	88.1	Confident	67 Å²	67	38.8 Å²	38.8	33%	0.33	22%	0.222	S	C	.	.	H	α-helix	trans	-64.4	-41	175.1	-171.7	-179.3	-172.8	0	0	111.8	L291 L294 F319 T320 S327	L291-M323 HydrophobicContact CD1-CG 3.94Å; L294-M323 HydrophobicContact CD2-CB 3.99Å; F319-M323 WeakPolarHBondContact O-CB 3.19Å; F319-M323 PolarHBondContact O-N 3.03Å; T320-M323 PolarHBondContact O-N 3.32Å; M323-S327 WeakPolarHBondContact O-CB 3.43Å; M323-S327 PolarHBondContact O-N 3.37Å; M323-S327 PolarHBondContact O-OG 3.28Å
324	I	90.6	Very high	88.2	Confident	93 Å²	93	42 Å²	42	48%	0.477	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-47.2	173.3	-67.9	165.7	0	0	0	110.6	T320 C321 C326 S327 L328	T320-I324 HydrophobicContact CG2-CD1 4.12Å; T320-I324 WeakPolarHBondContact O-CG1 3.23Å; T320-I324 PolarHBondContact O-N 2.98Å; C321-I324 PolarHBondContact O-N 3.18Å; I324-C326 PolarHBondContact O-N 2.73Å; I324-S327 PolarHBondContact O-N 2.89Å; I324-L328 HydrophobicContact CG2-CD1 3.91Å; I324-L328 HydrophobicContact CG2-CG 4.42Å; I324-L328 WeakPolarHBondContact O-CB 3.34Å; I324-L328 WeakPolarHBondContact O-CG 3.3Å; I324-L328 PolarHBondContact O-N 2.86Å
325	L	88.3	Confident	88.3	Confident	18 Å²	18	44.3 Å²	44.3	9%	0.094	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-40.8	177.9	-71.5	174.1	0	0	0	112.6	C321 T322 S329 F699 L702 T706	C321-L325 WeakPolarHBondContact O-CB 3.47Å; C321-L325 WeakPolarHBondContact O-CG 3.44Å; C321-L325 PolarHBondContact O-N 2.94Å; T322-L325 PolarHBondContact O-N 3.21Å; L325-S329 WeakPolarHBondContact O-CB 3.38Å; L325-S329 PolarHBondContact O-N 3.41Å; L325-F699 HydrophobicContact CD2-CD1 4.3Å; L325-F699 HydrophobicContact CD2-CE1 4.39Å; L325-L702 HydrophobicContact CD1-CB 4.3Å; L325-L702 HydrophobicContact CD2-CB 3.81Å; L325-L702 HydrophobicContact CD2-CD1 3.79Å; L325-L702 HydrophobicContact CD2-CG 4.33Å; L325-T706 HydrophobicContact CD1-CG2 4.03Å
326	C	89	Confident	88.4	Confident	12 Å²	12	44.1 Å²	44.1	8%	0.081	25%	0.254	C	S	.	.	H	α-helix	trans	-66.1	-38.4	175.1	-67.9	0	0	0	0	111.9	L291 T322 I324 S329 L330	L291-C326 HydrophobicContact CD1-CB 4.11Å; T322-C326 WeakPolarHBondContact O-CB 3.45Å; T322-C326 PolarHBondContact O-N 2.97Å; T322-C326 PolarHBondContact O-SG 3.4Å; I324-C326 PolarHBondContact O-N 2.73Å; C326-S329 WeakPolarHBondContact O-CB 3.3Å; C326-S329 PolarHBondContact O-N 2.82Å; C326-L330 WeakPolarHBondContact O-CB 3.48Å; C326-L330 PolarHBondContact O-N 3.31Å
327	S	91	Very high	88.3	Confident	44 Å²	44	44.4 Å²	44.4	31%	0.308	25%	0.254	S	S	.	.	H	α-helix	trans	-68	-45.9	178	-58.2	0	0	0	0	111.7	M323 I324 S329 L330 V331	M323-S327 WeakPolarHBondContact O-CB 3.43Å; M323-S327 PolarHBondContact O-N 3.37Å; M323-S327 PolarHBondContact O-OG 3.28Å; I324-S327 PolarHBondContact O-N 2.89Å; S327-S329 VanDerWaalsContact C-N 3.32Å; S327-S329 PolarHBondContact O-N 3.39Å; S327-L330 PolarHBondContact O-N 2.83Å; S327-V331 WeakPolarHBondContact O-CG2 3.31Å; S327-V331 PolarHBondContact O-N 3.42Å
328	L	90.5	Very high	88.2	Confident	92 Å²	92	44.6 Å²	44.6	48%	0.482	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-41.2	173.1	-70	171.4	0	0	0	111.4	I324 V331 C332 F699	I324-L328 HydrophobicContact CG2-CD1 3.91Å; I324-L328 HydrophobicContact CG2-CG 4.42Å; I324-L328 WeakPolarHBondContact O-CB 3.34Å; I324-L328 WeakPolarHBondContact O-CG 3.3Å; I324-L328 PolarHBondContact O-N 2.86Å; L328-V331 PolarHBondContact O-N 2.81Å; L328-C332 PolarHBondContact O-N 2.82Å; L328-C332 PolarHBondContact O-SG 2.66Å; L328-C332 VanDerWaalsContact O-SG 3.39Å; L328-F699 HydrophobicContact CB-CE1 3.99Å; L328-F699 HydrophobicContact CB-CZ 4Å
329	S	89.3	Confident	87.9	Confident	6 Å²	6	45.7 Å²	45.7	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-48.5	175.6	163.5	0	0	0	0	112	F274 L325 C326 S327 V331 C332 A333	F274-S329 WeakPolarHBondContact CE2-OG 3.47Å; F274-S329 WeakPolarHBondContact CZ-OG 3.38Å; L325-S329 WeakPolarHBondContact O-CB 3.38Å; L325-S329 PolarHBondContact O-N 3.41Å; C326-S329 WeakPolarHBondContact O-CB 3.3Å; C326-S329 PolarHBondContact O-N 2.82Å; S327-S329 VanDerWaalsContact C-N 3.32Å; S327-S329 PolarHBondContact O-N 3.39Å; S329-V331 PolarHBondContact O-N 3.32Å; S329-C332 WeakPolarHBondContact O-CB 3.43Å; S329-C332 PolarHBondContact O-N 2.9Å; S329-A333 WeakPolarHBondContact O-CB 3.43Å; S329-A333 PolarHBondContact O-N 2.86Å
330	L	90.8	Very high	87.4	Confident	31 Å²	31	46.3 Å²	46.3	16%	0.162	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-41.4	178	-177.8	61	0	0	0	112	I284 V288 L291 C326 S327 A333 V334	I284-L330 HydrophobicContact CG2-CD1 4.28Å; V288-L330 HydrophobicContact CG2-CD1 4.12Å; V288-L330 HydrophobicContact CG2-CD2 3.88Å; L291-L330 HydrophobicContact CD2-CD2 4.36Å; C326-L330 WeakPolarHBondContact O-CB 3.48Å; C326-L330 PolarHBondContact O-N 3.31Å; S327-L330 PolarHBondContact O-N 2.83Å; L330-A333 PolarHBondContact O-N 3.22Å; L330-V334 WeakPolarHBondContact O-CG2 3.27Å; L330-V334 PolarHBondContact O-N 3.3Å
331	V	91.7	Very high	86.9	Confident	93 Å²	93	49.1 Å²	49.1	56%	0.564	28%	0.276	S	S	*	.	H	α-helix	trans	-62.4	-45.8	174.4	171.5	0	0	0	0	111	S327 L328 S329 A333 V334 V335	S327-V331 WeakPolarHBondContact O-CG2 3.31Å; S327-V331 PolarHBondContact O-N 3.42Å; L328-V331 PolarHBondContact O-N 2.81Å; S329-V331 PolarHBondContact O-N 3.32Å; V331-A333 VanDerWaalsContact C-N 3.35Å; V331-A333 PolarHBondContact O-N 3.27Å; V331-V334 PolarHBondContact O-N 3.18Å; V331-V335 WeakPolarHBondContact O-CG2 3.48Å; V331-V335 PolarHBondContact O-N 2.96Å
332	C	88.2	Confident	86	Confident	41 Å²	41	51.9 Å²	51.9	28%	0.277	29%	0.285	S	S	.	.	H	α-helix	trans	-58.6	-44.4	173.5	-72.7	0	0	0	0	111.9	L328 S329 V334 V335 L336 F699	L328-C332 PolarHBondContact O-N 2.82Å; L328-C332 PolarHBondContact O-SG 2.66Å; L328-C332 VanDerWaalsContact O-SG 3.39Å; S329-C332 WeakPolarHBondContact O-CB 3.43Å; S329-C332 PolarHBondContact O-N 2.9Å; C332-V334 PolarHBondContact O-N 3.43Å; C332-V335 PolarHBondContact O-N 3.14Å; C332-L336 WeakPolarHBondContact O-CB 3.31Å; C332-L336 VanDerWaalsContact O-CG 3.23Å; C332-L336 WeakPolarHBondContact O-CG 3.34Å; C332-L336 PolarHBondContact O-N 3.28Å; C332-F699 HydrophobicContact CB-CE2 4.19Å
333	A	88.4	Confident	84.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-38.8	178.2	0	0	0	0	0	112.8	V273 I284 S329 L330 V331 L337	V273-A333 HydrophobicContact CG1-CB 4.48Å; I284-A333 HydrophobicContact CD1-CB 4.02Å; S329-A333 WeakPolarHBondContact O-CB 3.43Å; S329-A333 PolarHBondContact O-N 2.86Å; L330-A333 PolarHBondContact O-N 3.22Å; V331-A333 VanDerWaalsContact C-N 3.35Å; V331-A333 PolarHBondContact O-N 3.27Å; A333-L337 WeakPolarHBondContact O-CB 3.07Å; A333-L337 PolarHBondContact O-N 3.02Å
334	V	89.4	Confident	83.1	Confident	77 Å²	77	54.6 Å²	54.6	47%	0.467	32%	0.322	S	S	.	.	H	α-helix	trans	-66.7	-42.3	174	171.7	0	0	0	0	111.5	I284 L330 V331 C332 L337 N338	I284-V334 HydrophobicContact CD1-CG2 3.82Å; L330-V334 WeakPolarHBondContact O-CG2 3.27Å; L330-V334 PolarHBondContact O-N 3.3Å; V331-V334 PolarHBondContact O-N 3.18Å; C332-V334 PolarHBondContact O-N 3.43Å; V334-L337 PolarHBondContact O-N 2.88Å; V334-N338 WeakPolarHBondContact O-CB 3.41Å; V334-N338 PolarHBondContact O-N 3.06Å
335	V	87.3	Confident	81.5	Confident	81 Å²	81	51.4 Å²	51.4	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-63.6	-44.9	176.3	171.9	0	0	0	0	111.1	V331 C332 L337 N338 C339	V331-V335 WeakPolarHBondContact O-CG2 3.48Å; V331-V335 PolarHBondContact O-N 2.96Å; C332-V335 PolarHBondContact O-N 3.14Å; V335-L337 PolarHBondContact O-N 2.99Å; V335-N338 PolarHBondContact O-N 2.77Å; V335-C339 PolarHBondContact O-N 2.88Å; V335-C339 PolarHBondContact O-SG 3.44Å
336	L	86.5	Confident	80.1	Confident	12 Å²	12	58.1 Å²	58.1	6%	0.063	35%	0.346	C	S	.	.	H	α-helix	trans	-60.4	-43.2	176	-71.9	167.6	0	0	0	112	C332 C339 H340 L691 D692 C695	C332-L336 WeakPolarHBondContact O-CB 3.31Å; C332-L336 VanDerWaalsContact O-CG 3.23Å; C332-L336 WeakPolarHBondContact O-CG 3.34Å; C332-L336 PolarHBondContact O-N 3.28Å; L336-C339 PolarHBondContact O-N 2.93Å; L336-H340 VanDerWaalsContact O-CB 3.3Å; L336-H340 WeakPolarHBondContact O-CB 3.02Å; L336-H340 PolarHBondContact O-N 3.48Å; L336-L691 HydrophobicContact CD2-CB 3.52Å; L336-D692 HydrophobicContact CD1-CB 4.16Å; L336-C695 HydrophobicContact CD1-CB 4.48Å
337	L	84.8	Confident	78.9	Confident	43 Å²	43	61 Å²	61	23%	0.225	36%	0.364	C	S	.	.	H	α-helix	trans	-65.3	-39.4	176.7	-176.3	61.4	0	0	0	112	I284 A333 V334 V335 H340 H341	I284-L337 HydrophobicContact CD1-CD2 4.32Å; I284-L337 HydrophobicContact CG1-CD2 3.85Å; A333-L337 WeakPolarHBondContact O-CB 3.07Å; A333-L337 PolarHBondContact O-N 3.02Å; V334-L337 PolarHBondContact O-N 2.88Å; V335-L337 PolarHBondContact O-N 2.99Å; L337-H340 PolarHBondContact O-N 3.48Å; L337-H341 PolarHBondContact O-N 3.49Å
338	N	84.5	Confident	77.7	Confident	106 Å²	106	67.3 Å²	67.3	57%	0.567	38%	0.382	S	S	*	.	H	α-helix	trans	-63.8	-46.5	174.6	-178.2	60.3	0	0	0	111.7	V334 V335 H340 H341 H342	V334-N338 WeakPolarHBondContact O-CB 3.41Å; V334-N338 PolarHBondContact O-N 3.06Å; V335-N338 PolarHBondContact O-N 2.77Å; N338-H340 VanDerWaalsContact C-N 3.35Å; N338-H340 PolarHBondContact O-N 3.01Å; N338-H341 PolarHBondContact O-N 2.9Å; N338-H342 WeakPolarHBondContact O-CB 3.43Å; N338-H342 PolarHBondContact O-N 3.37Å
339	C	78.7	Confident	76.5	Confident	34 Å²	34	63.6 Å²	63.6	23%	0.23	36%	0.363	C	S	.	.	H	α-helix	trans	-61.3	-41	174.2	-70	0	0	0	0	112.2	V335 L336 H341 H342 W684 C688	V335-C339 PolarHBondContact O-N 2.88Å; V335-C339 PolarHBondContact O-SG 3.44Å; L336-C339 PolarHBondContact O-N 2.93Å; C339-H341 VanDerWaalsContact C-N 3.3Å; C339-H341 PolarHBondContact O-N 3.2Å; C339-H342 PolarHBondContact O-N 3.39Å; C339-W684 HydrophobicContact CB-CE3 4.47Å; C339-W684 HydrophobicContact CB-CZ3 4.34Å; C339-C688 VanDerWaalsContact C-SG 3.6Å
340	H	77.7	Confident	75.6	Confident	14 Å²	14	65.4 Å²	65.4	7%	0.065	38%	0.375	C	S	.	.	H	α-helix	trans	-60.8	-38.5	177.4	-179.3	-121.5	0	0	0	112.3	L336 L337 N338 C688	L336-H340 VanDerWaalsContact O-CB 3.3Å; L336-H340 WeakPolarHBondContact O-CB 3.02Å; L336-H340 PolarHBondContact O-N 3.48Å; L337-H340 PolarHBondContact O-N 3.48Å; N338-H340 VanDerWaalsContact C-N 3.35Å; N338-H340 PolarHBondContact O-N 3.01Å; H340-C688 HydrophobicContact CB-CB 4.35Å; H340-C688 PolarHBondContact N-SG 3.07Å; H340-C688 VanDerWaalsContact N-SG 3.4Å
341	H	75.1	Confident	74.6	Confident	121 Å²	121	72.8 Å²	72.8	56%	0.56	40%	0.4	S	S	*	.	H	α-helix	trans	-84.8	-11.5	177.7	-72.1	-178	0	0	0	114.3	L337 N338 C339 T343	L337-H341 PolarHBondContact O-N 3.49Å; N338-H341 PolarHBondContact O-N 2.9Å; C339-H341 VanDerWaalsContact C-N 3.3Å; C339-H341 PolarHBondContact O-N 3.2Å; H341-T343 PolarHBondContact O-N 3.32Å
342	H	68	Low	73.6	Confident	99 Å²	99	75.4 Å²	75.4	46%	0.458	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-77.6	29	179.6	-149.6	79.7	0	0	0	114.6	N338 C339 G344	N338-H342 WeakPolarHBondContact O-CB 3.43Å; N338-H342 PolarHBondContact O-N 3.37Å; C339-H342 PolarHBondContact O-N 3.39Å; H342-G344 PolarHBondContact O-N 2.9Å
343	T	58.9	Low	72.7	Confident	44 Å²	44	74.1 Å²	74.1	27%	0.27	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-60.5	-23.9	175	-83.3	0	0	0	0	113.5	H341 G345 S681	H341-T343 PolarHBondContact O-N 3.32Å; T343-G345 PolarHBondContact O-N 3.26Å; T343-S681 VanDerWaalsContact CG2-OG 3.26Å; T343-S681 WeakPolarHBondContact CG2-OG 3.39Å; T343-S681 PolarHBondContact OG1-OG 3.02Å
344	G	56.7	Low	71.7	Confident	85 Å²	85	78.7 Å²	78.7	88%	0.876	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-85.4	18.6	-168	0	0	0	0	0	117.4	H342	H342-G344 PolarHBondContact O-N 2.9Å
345	G	57.5	Low	70.6	Confident	26 Å²	26	79.1 Å²	79.1	27%	0.268	41%	0.41	S	S	.	.	S	Bend	trans	-138.4	147.9	-174.7	0	0	0	0	0	113.6	T343 V347	T343-G345 PolarHBondContact O-N 3.26Å; G345-V347 PolarHBondContact O-N 3.18Å
346	I	57	Low	69.6	Low	158 Å²	158	77.7 Å²	77.7	81%	0.81	40%	0.4	S	S	*	.			trans	-78.7	64.8	179.9	-45.9	175.4	0	0	0	110	Y348	I346-Y348 HydrophobicContact CG2-CE2 4.36Å
347	V	64	Low	68.6	Low	73 Å²	73	77.9 Å²	77.9	44%	0.442	40%	0.401	S	S	.	.			trans	-117.5	101.5	172.8	-175.5	0	0	0	0	107.3	G345 W684	G345-V347 PolarHBondContact O-N 3.18Å; V347-W684 HydrophobicContact CG1-CZ2 4.27Å; V347-W684 PolarHBondContact O-NE1 3.29Å
348	Y	65.7	Low	67.6	Low	177 Å²	177	80.2 Å²	80.2	69%	0.694	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-56.2	144.5	170.9	-62	-83.9	0	0	0	110	I346 P350	I346-Y348 HydrophobicContact CG2-CE2 4.36Å; Y348-P350 WeakPolarHBondContact O-CD 3.3Å
349	V	66.8	Low	66.6	Low	13 Å²	13	79.5 Å²	79.5	8%	0.079	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-57.8	126.3	174.3	178.1	0	0	0	0	108.3	W351 I353 E354 E683 W684	V349-W351 PolarHBondContact O-N 3.24Å; V349-I353 HydrophobicContact CG1-CB 3.88Å; V349-I353 HydrophobicContact CG1-CG2 3.75Å; V349-E354 HydrophobicContact CB-CG 4.5Å; V349-E354 HydrophobicContact CG1-CG 4.11Å; V349-E683 HydrophobicContact CG2-CB 4.1Å; V349-W684 HydrophobicContact CG2-CD2 4.24Å; V349-W684 HydrophobicContact CG2-CG 4.33Å
350	P	69.2	Low	65.8	Low	45 Å²	45	86.3 Å²	86.3	29%	0.292	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-58	130.6	178.9	-28.1	35.3	0	0	0	112	Y348 W352 I353 E354	Y348-P350 WeakPolarHBondContact O-CD 3.3Å; P350-W352 HydrophobicContact CB-CG 4.43Å; P350-W352 VanDerWaalsContact CB-NE1 3.32Å; P350-W352 PolarHBondContact O-N 3.43Å; P350-I353 HydrophobicContact CB-CG1 4.44Å; P350-I353 HydrophobicContact CG-CD1 4.34Å; P350-I353 WeakPolarHBondContact O-CA 3.46Å; P350-I353 VanDerWaalsContact O-CB 3.31Å; P350-I353 WeakPolarHBondContact O-CB 3.22Å; P350-I353 PolarHBondContact O-N 2.73Å; P350-E354 PolarHBondContact O-N 3.09Å
351	W	69.9	Low	65.1	Low	185 Å²	185	86.1 Å²	86.1	70%	0.701	43%	0.433	S	S	*	.	H	α-helix	trans	-47.4	-32.1	-178.1	66.5	-74.1	0	0	0	115.4	V349 I353 E354 I355	V349-W351 PolarHBondContact O-N 3.24Å; W351-I353 VanDerWaalsContact C-N 3.34Å; W351-E354 PolarHBondContact O-N 3.26Å; W351-I355 HydrophobicContact CE3-CD1 3.6Å; W351-I355 HydrophobicContact CZ3-CD1 3.87Å; W351-I355 WeakPolarHBondContact O-CG1 3.36Å; W351-I355 PolarHBondContact O-N 2.97Å
352	W	71.6	Confident	64.4	Low	149 Å²	149	82 Å²	82	56%	0.564	42%	0.42	S	S	*	.	H	α-helix	trans	-69.1	-29.3	175.8	67.6	-90.4	0	0	0	113.3	P350 L356	P350-W352 HydrophobicContact CB-CG 4.43Å; P350-W352 VanDerWaalsContact CB-NE1 3.32Å; P350-W352 PolarHBondContact O-N 3.43Å; W352-L356 WeakPolarHBondContact O-CB 3.42Å; W352-L356 PolarHBondContact O-N 2.89Å
353	I	68.5	Low	64.1	Low	13 Å²	13	81.9 Å²	81.9	7%	0.067	43%	0.431	C	S	.	.	H	α-helix	trans	-71.7	-41.5	172.3	-63.5	-174.1	0	0	0	109.8	V349 P350 W351 I355 L356 I357 A687	V349-I353 HydrophobicContact CG1-CB 3.88Å; V349-I353 HydrophobicContact CG1-CG2 3.75Å; P350-I353 HydrophobicContact CB-CG1 4.44Å; P350-I353 HydrophobicContact CG-CD1 4.34Å; P350-I353 WeakPolarHBondContact O-CA 3.46Å; P350-I353 VanDerWaalsContact O-CB 3.31Å; P350-I353 WeakPolarHBondContact O-CB 3.22Å; P350-I353 PolarHBondContact O-N 2.73Å; W351-I353 VanDerWaalsContact C-N 3.34Å; I353-I355 PolarHBondContact O-N 2.98Å; I353-L356 PolarHBondContact O-N 3.29Å; I353-I357 HydrophobicContact CG2-CD1 3.55Å; I353-I357 HydrophobicContact CG2-CG1 4.12Å; I353-I357 WeakPolarHBondContact O-CB 3.27Å; I353-I357 WeakPolarHBondContact O-CG1 3.43Å; I353-I357 PolarHBondContact O-N 2.92Å; I353-A687 HydrophobicContact CG2-CB 4.26Å
354	E	67.1	Low	64.3	Low	97 Å²	97	84.1 Å²	84.1	45%	0.453	44%	0.44	S	S	.	.	H	α-helix	trans	-59.7	-45.5	175.1	-58.6	-178.2	148.7	0	0	111.7	V349 P350 W351 N358	V349-E354 HydrophobicContact CB-CG 4.5Å; V349-E354 HydrophobicContact CG1-CG 4.11Å; P350-E354 PolarHBondContact O-N 3.09Å; W351-E354 PolarHBondContact O-N 3.26Å; E354-N358 VanDerWaalsContact O-CB 3.23Å; E354-N358 WeakPolarHBondContact O-CB 3.17Å; E354-N358 VanDerWaalsContact O-CG 3.23Å; E354-N358 PolarHBondContact O-N 3.05Å; E354-N358 PolarHBondContact O-ND2 3.4Å
355	I	66.6	Low	64.5	Low	86 Å²	86	82.7 Å²	82.7	44%	0.441	41%	0.412	S	S	.	.	H	α-helix	trans	-60.7	-46	174.5	-68.1	166.5	0	0	0	110.9	W351 I353 T359	W351-I355 HydrophobicContact CE3-CD1 3.6Å; W351-I355 HydrophobicContact CZ3-CD1 3.87Å; W351-I355 WeakPolarHBondContact O-CG1 3.36Å; W351-I355 PolarHBondContact O-N 2.97Å; I353-I355 PolarHBondContact O-N 2.98Å; I355-T359 WeakPolarHBondContact O-CA 3.2Å; I355-T359 WeakPolarHBondContact O-CB 3.5Å; I355-T359 PolarHBondContact O-N 3.07Å; I355-T359 PolarHBondContact O-OG1 3.46Å; I355-T359 VanDerWaalsContact O-OG1 3.09Å
356	L	67.4	Low	64.4	Low	51 Å²	51	92.3 Å²	92.3	27%	0.267	44%	0.44	S	S	.	.	I	π-helix	trans	-66.8	-39.2	-177.9	179.5	144.8	0	0	0	112.5	W352 I353 W360 L361 L694	W352-L356 WeakPolarHBondContact O-CB 3.42Å; W352-L356 PolarHBondContact O-N 2.89Å; I353-L356 PolarHBondContact O-N 3.29Å; L356-W360 PolarHBondContact O-N 3.16Å; L356-L361 HydrophobicContact CD2-CD1 3.62Å; L356-L361 HydrophobicContact CG-CD1 4.11Å; L356-L361 WeakPolarHBondContact O-CD1 3.47Å; L356-L361 PolarHBondContact O-N 3.02Å; L356-L694 HydrophobicContact CD2-CD2 4.19Å
357	I	65.4	Low	64.7	Low	16 Å²	16	88.4 Å²	88.4	8%	0.082	42%	0.42	C	S	.	.	I	π-helix	trans	-65.2	-58.7	173	-67.1	167.3	0	0	0	110.1	I353 L361 A362 A687 V690	I353-I357 HydrophobicContact CG2-CD1 3.55Å; I353-I357 HydrophobicContact CG2-CG1 4.12Å; I353-I357 WeakPolarHBondContact O-CB 3.27Å; I353-I357 WeakPolarHBondContact O-CG1 3.43Å; I353-I357 PolarHBondContact O-N 2.92Å; I357-L361 PolarHBondContact O-N 2.98Å; I357-A362 PolarHBondContact O-N 3.44Å; I357-A687 HydrophobicContact CD1-CB 3.7Å; I357-V690 HydrophobicContact CB-CG1 4.3Å; I357-V690 HydrophobicContact CG1-CB 4.2Å; I357-V690 HydrophobicContact CG1-CG1 3.82Å; I357-V690 HydrophobicContact CG2-CG1 4.17Å; I357-V690 HydrophobicContact CG2-CG2 4.17Å
358	N	63.1	Low	64.1	Low	92 Å²	92	92 Å²	92	49%	0.492	44%	0.437	S	S	.	.	I	π-helix	trans	-77	-31.6	-165.8	-63.8	-12.9	0	0	0	112.9	E354	E354-N358 VanDerWaalsContact O-CB 3.23Å; E354-N358 WeakPolarHBondContact O-CB 3.17Å; E354-N358 VanDerWaalsContact O-CG 3.23Å; E354-N358 PolarHBondContact O-N 3.05Å; E354-N358 PolarHBondContact O-ND2 3.4Å
359	T	63.2	Low	63.6	Low	91 Å²	91	89 Å²	89	56%	0.558	43%	0.429	S	S	*	.	I	π-helix	trans	-95.2	-44.1	-176.7	-46.3	0	0	0	0	112.9	I355	I355-T359 WeakPolarHBondContact O-CA 3.2Å; I355-T359 WeakPolarHBondContact O-CB 3.5Å; I355-T359 PolarHBondContact O-N 3.07Å; I355-T359 PolarHBondContact O-OG1 3.46Å; I355-T359 VanDerWaalsContact O-OG1 3.09Å
360	W	63.1	Low	62.5	Low	177 Å²	177	95.2 Å²	95.2	67%	0.67	46%	0.462	S	S	*	.	I	π-helix	trans	-95.4	-54.5	-175.7	-92.3	71.9	0	0	0	112.8	L356 I364	L356-W360 PolarHBondContact O-N 3.16Å; W360-I364 HydrophobicContact CE3-CD1 3.73Å; W360-I364 HydrophobicContact CZ3-CD1 4.22Å; W360-I364 WeakPolarHBondContact O-CG1 3.33Å; W360-I364 PolarHBondContact O-N 2.78Å
361	L	62.4	Low	61.5	Low	10 Å²	10	98.1 Å²	98.1	5%	0.052	47%	0.474	C	S	.	.	I	π-helix	trans	-76.7	-35.5	-172.3	-86.5	91.4	0	0	0	114.6	L356 I357 S363 I364 L365 V690 L694	L356-L361 HydrophobicContact CD2-CD1 3.62Å; L356-L361 HydrophobicContact CG-CD1 4.11Å; L356-L361 WeakPolarHBondContact O-CD1 3.47Å; L356-L361 PolarHBondContact O-N 3.02Å; I357-L361 PolarHBondContact O-N 2.98Å; L361-S363 PolarHBondContact O-N 3.08Å; L361-I364 PolarHBondContact O-N 2.9Å; L361-L365 HydrophobicContact CB-CD1 4.38Å; L361-L365 HydrophobicContact CD2-CD1 3.6Å; L361-L365 HydrophobicContact CG-CD1 4.19Å; L361-L365 WeakPolarHBondContact O-CB 3.16Å; L361-L365 PolarHBondContact O-N 2.82Å; L361-V690 HydrophobicContact CB-CG1 3.62Å; L361-V690 HydrophobicContact CD2-CG1 3.44Å; L361-V690 VanDerWaalsContact CD2-CG1 3.44Å; L361-V690 VanDerWaalsContact CD2-O 3.3Å; L361-V690 WeakPolarHBondContact CD2-O 3.41Å; L361-V690 HydrophobicContact CG-CG1 4.02Å; L361-L694 HydrophobicContact CD1-CD1 4.19Å; L361-L694 HydrophobicContact CD1-CD2 4.23Å; L361-L694 HydrophobicContact CD2-CB 3.63Å; L361-L694 HydrophobicContact CD2-CD1 4.18Å; L361-L694 HydrophobicContact CD2-CG 4.32Å
362	A	60.9	Low	59.8	Low	35 Å²	35	93.3 Å²	93.3	29%	0.289	47%	0.466	S	S	.	.	H	α-helix	trans	-55.6	-42.2	174.1	0	0	0	0	0	111.8	I357 R366	I357-A362 PolarHBondContact O-N 3.44Å; A362-R366 PolarHBondContact O-N 2.82Å
363	S	60.4	Low	58.3	Low	97 Å²	97	89.3 Å²	89.3	68%	0.678	46%	0.455	S	S	*	.	H	α-helix	trans	-65.4	-44	176	-172.9	0	0	0	0	112.9	L361	L361-S363 PolarHBondContact O-N 3.08Å
364	I	63.9	Low	57	Low	91 Å²	91	92.6 Å²	92.6	47%	0.467	48%	0.477	S	S	.	.	H	α-helix	trans	-78.1	-33.7	-174.9	-73.5	170.2	0	0	0	113.3	W360 L361 L697	W360-I364 HydrophobicContact CE3-CD1 3.73Å; W360-I364 HydrophobicContact CZ3-CD1 4.22Å; W360-I364 WeakPolarHBondContact O-CG1 3.33Å; W360-I364 PolarHBondContact O-N 2.78Å; L361-I364 PolarHBondContact O-N 2.9Å; I364-L697 HydrophobicContact CG2-CD1 3.55Å
365	L	60	Low	55.8	Low	55 Å²	55	90 Å²	90	29%	0.288	47%	0.47	S	S	.	.	H	α-helix	trans	-102.1	-4	-172.2	-90.7	143.1	0	0	0	115.3	L361 I367 R693	L361-L365 HydrophobicContact CB-CD1 4.38Å; L361-L365 HydrophobicContact CD2-CD1 3.6Å; L361-L365 HydrophobicContact CG-CD1 4.19Å; L361-L365 WeakPolarHBondContact O-CB 3.16Å; L361-L365 PolarHBondContact O-N 2.82Å; L365-I367 HydrophobicContact CB-CD1 4.09Å; L365-I367 HydrophobicContact CB-CG1 4.08Å; L365-I367 PolarHBondContact O-N 2.03Å; L365-R693 HydrophobicContact CD1-CB 3.69Å; L365-R693 HydrophobicContact CD2-CB 3.95Å; L365-R693 HydrophobicContact CD2-CG 4.25Å; L365-R693 HydrophobicContact CG-CB 4.49Å
366	R	56.4	Low	54.5	Low	228 Å²	228	90.6 Å²	90.6	86%	0.86	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	45.7	-177.7	-76.2	-174.4	162.4	-161.4	-4.1	112.9	A362 D368	A362-R366 PolarHBondContact O-N 2.82Å; R366-D368 PolarHBondContact O-N 2.83Å
367	I	62.8	Low	53.2	Low	76 Å²	76	92.5 Å²	92.5	39%	0.39	49%	0.485	S	S	.	.			trans	-85.4	104.8	171.1	-62.7	171.6	0	0	0	106.6	L365 H369 V690	L365-I367 HydrophobicContact CB-CD1 4.09Å; L365-I367 HydrophobicContact CB-CG1 4.08Å; L365-I367 PolarHBondContact O-N 2.03Å; I367-H369 PolarHBondContact O-N 3.12Å; I367-V690 HydrophobicContact CD1-CG2 4.5Å
368	D	52.2	Low	52.2	Low	149 Å²	149	96.6 Å²	96.6	80%	0.797	51%	0.507	S	S	*	.			trans	-60.2	131.1	171.6	-79.6	-48.4	0	0	0	109.7	R366 D370	R366-D368 PolarHBondContact O-N 2.83Å; D368-D370 PolarHBondContact O-N 3.45Å
369	H	54.2	Low	51.3	Low	112 Å²	112	97.4 Å²	97.4	52%	0.519	51%	0.509	S	S	.	.			trans	-89.3	57.1	-163.9	-156.4	-72.3	0	0	0	111.8	I367 L371	I367-H369 PolarHBondContact O-N 3.12Å; H369-L371 PolarHBondContact O-N 3.32Å
370	D	44.6	Very low	50.8	Low	145 Å²	145	97.3 Å²	97.3	78%	0.775	51%	0.505	S	S	*	.			trans	-70.1	50.7	178.3	-96.8	0.1	0	0	0	112.9	D368 T372	D368-D370 PolarHBondContact O-N 3.45Å; D370-T372 VanDerWaalsContact C-N 3.32Å
371	L	47	Very low	50.3	Low	105 Å²	105	93.3 Å²	93.3	55%	0.55	49%	0.494	S	S	.	.			trans	-96	62.4	156.7	-75.4	177.5	0	0	0	109.1	H369 D373 L686	H369-L371 PolarHBondContact O-N 3.32Å; L371-D373 VanDerWaalsContact C-N 3.33Å; L371-D373 PolarHBondContact O-N 3.38Å; L371-L686 HydrophobicContact CD1-CD2 3.93Å
372	T	35.9	Very low	50.1	Low	85 Å²	85	99.3 Å²	99.3	52%	0.521	52%	0.519	S	S	.	.			trans	-60.2	99.2	159.9	-38.5	0	0	0	0	106.9	D370 P374 N377	D370-T372 VanDerWaalsContact C-N 3.32Å; T372-P374 VanDerWaalsContact O-CD 3.27Å; T372-P374 WeakPolarHBondContact O-CD 3.1Å; T372-N377 WeakPolarHBondContact CG2-ND2 3.07Å
373	D	40	Very low	49.9	Very low	64 Å²	64	101.5 Å²	101.5	34%	0.342	53%	0.526	S	S	.	.			trans	-50.2	114.6	-162.4	-171.9	-32.2	0	0	0	110.5	L371 S375 N376 N377 K679	L371-D373 VanDerWaalsContact C-N 3.33Å; L371-D373 PolarHBondContact O-N 3.38Å; D373-S375 VanDerWaalsContact CG-OG 3.24Å; D373-S375 PolarHBondContact O-N 2.86Å; D373-S375 WeakPolarHBondContact OD1-CA 3.37Å; D373-S375 WeakPolarHBondContact OD1-CB 3.35Å; D373-S375 PolarHBondContact OD1-N 2.85Å; D373-S375 PolarHBondContact OD1-OG 3.23Å; D373-S375 PolarHBondContact OD2-OG 3.18Å; D373-N376 PolarHBondContact O-N 3.44Å; D373-N377 PolarHBondContact O-N 2.89Å; D373-K679 IonicContact OD1-NZ 2.63Å; D373-K679 PolarHBondContact OD1-NZ 3.39Å; D373-K679 IonicContact OD2-NZ 2.71Å; D373-K679 PolarHBondContact OD2-NZ 3.28Å
374	P	40.6	Very low	50.2	Low	82 Å²	82	101.4 Å²	101.4	53%	0.532	52%	0.515	S	S	.	.	H	α-helix	trans	-58.3	-21.6	-178.3	-26.7	35.6	0	0	0	112.8	T372 N378	T372-P374 VanDerWaalsContact O-CD 3.27Å; T372-P374 WeakPolarHBondContact O-CD 3.1Å; P374-N378 VanDerWaalsContact O-CB 3.23Å; P374-N378 WeakPolarHBondContact O-CB 2.99Å; P374-N378 PolarHBondContact O-N 3.49Å; P374-N378 VanDerWaalsContact O-N 3.12Å; P374-N378 PolarHBondContact O-ND2 3.32Å
375	S	42.2	Very low	50.3	Low	43 Å²	43	102 Å²	102	30%	0.301	51%	0.514	S	S	.	.	H	α-helix	trans	-80.5	-24.6	174.3	63.1	0	0	0	0	114.5	D373 M379 K679	D373-S375 VanDerWaalsContact CG-OG 3.24Å; D373-S375 PolarHBondContact O-N 2.86Å; D373-S375 WeakPolarHBondContact OD1-CA 3.37Å; D373-S375 WeakPolarHBondContact OD1-CB 3.35Å; D373-S375 PolarHBondContact OD1-N 2.85Å; D373-S375 PolarHBondContact OD1-OG 3.23Å; D373-S375 PolarHBondContact OD2-OG 3.18Å; S375-M379 WeakPolarHBondContact O-CB 3.42Å; S375-M379 WeakPolarHBondContact O-CG 3.43Å; S375-M379 PolarHBondContact O-N 2.69Å; S375-M379 VanDerWaalsContact O-N 3.15Å; S375-K679 PolarHBondContact OG-NZ 3.06Å
376	N	39	Very low	50.6	Low	99 Å²	99	103.7 Å²	103.7	53%	0.529	52%	0.523	S	S	.	.	H	α-helix	trans	-74.1	-56.6	166.9	-95.2	14.4	0	0	0	110.1	D373 N378 M379 D380	D373-N376 PolarHBondContact O-N 3.44Å; N376-N378 VanDerWaalsContact C-N 3.29Å; N376-N378 PolarHBondContact O-N 2.82Å; N376-M379 CarbonylContact O-C 3.57Å; N376-M379 WeakPolarHBondContact O-CA 3.43Å; N376-M379 PolarHBondContact O-N 3.25Å; N376-D380 PolarHBondContact O-N 3.07Å
377	N	39.7	Very low	51.1	Low	91 Å²	91	97.3 Å²	97.3	49%	0.487	51%	0.505	S	S	.	.	H	α-helix	trans	-58.8	-37.8	-176.3	-74.7	0	0	0	0	112.9	T372 D373 E381	T372-N377 WeakPolarHBondContact CG2-ND2 3.07Å; D373-N377 PolarHBondContact O-N 2.89Å; N377-E381 WeakPolarHBondContact O-CB 3.32Å; N377-E381 PolarHBondContact O-N 2.94Å
378	N	44.7	Very low	51.4	Low	101 Å²	101	99 Å²	99	54%	0.54	51%	0.51	S	S	.	.	H	α-helix	trans	-80.3	-19.8	174.2	-72.4	-83.2	0	0	0	114.2	P374 N376 K382	P374-N378 VanDerWaalsContact O-CB 3.23Å; P374-N378 WeakPolarHBondContact O-CB 2.99Å; P374-N378 PolarHBondContact O-N 3.49Å; P374-N378 VanDerWaalsContact O-N 3.12Å; P374-N378 PolarHBondContact O-ND2 3.32Å; N376-N378 VanDerWaalsContact C-N 3.29Å; N376-N378 PolarHBondContact O-N 2.82Å; N378-K382 WeakPolarHBondContact O-CB 3.4Å; N378-K382 PolarHBondContact O-N 3.46Å
379	M	44.2	Very low	51.7	Low	109 Å²	109	96.9 Å²	96.9	54%	0.537	50%	0.498	S	S	.	.	H	α-helix	trans	-75.1	-48.1	168.8	-78.9	-89.5	-79.6	0	0	109.9	S375 N376 K382 N383	S375-M379 WeakPolarHBondContact O-CB 3.42Å; S375-M379 WeakPolarHBondContact O-CG 3.43Å; S375-M379 PolarHBondContact O-N 2.69Å; S375-M379 VanDerWaalsContact O-N 3.15Å; N376-M379 CarbonylContact O-C 3.57Å; N376-M379 WeakPolarHBondContact O-CA 3.43Å; N376-M379 PolarHBondContact O-N 3.25Å; M379-K382 PolarHBondContact O-N 3.16Å; M379-N383 WeakPolarHBondContact O-CB 3.37Å; M379-N383 PolarHBondContact O-N 2.85Å; M379-N383 PolarHBondContact O-ND2 2.91Å; M379-N383 VanDerWaalsContact O-ND2 3.13Å
380	D	51.8	Low	51.9	Low	90 Å²	90	94.4 Å²	94.4	48%	0.481	49%	0.493	S	S	.	.	H	α-helix	trans	-67.4	-46	-177.8	-66.7	-35.8	0	0	0	111.5	N376 K382 N383 E384	N376-D380 PolarHBondContact O-N 3.07Å; D380-K382 VanDerWaalsContact C-N 3.27Å; D380-K382 PolarHBondContact O-N 2.88Å; D380-N383 PolarHBondContact O-N 3.4Å; D380-E384 WeakPolarHBondContact O-CB 3.49Å; D380-E384 PolarHBondContact O-N 2.83Å
381	E	53.3	Low	52.2	Low	93 Å²	93	93.7 Å²	93.7	44%	0.435	48%	0.484	S	S	.	.	H	α-helix	trans	-64.7	-32.2	176.1	-158.2	-153.8	-175.1	0	0	112	N377 K385	N377-E381 WeakPolarHBondContact O-CB 3.32Å; N377-E381 PolarHBondContact O-N 2.94Å; E381-K385 VanDerWaalsContact CD-CE 3.5Å; E381-K385 HydrophobicContact CG-CD 4.46Å; E381-K385 WeakPolarHBondContact O-CB 3.34Å; E381-K385 WeakPolarHBondContact O-CD 3.41Å; E381-K385 WeakPolarHBondContact O-CG 3.41Å; E381-K385 PolarHBondContact O-N 2.98Å; E381-K385 VanDerWaalsContact OE1-CE 3.25Å; E381-K385 WeakPolarHBondContact OE1-CE 3.18Å; E381-K385 IonicContact OE1-NZ 2.67Å; E381-K385 PolarHBondContact OE1-NZ 2.72Å; E381-K385 IonicContact OE2-NZ 2.8Å; E381-K385 PolarHBondContact OE2-NZ 2.86Å
382	K	57.6	Low	52.5	Low	135 Å²	135	96.4 Å²	96.4	59%	0.587	49%	0.493	S	S	*	.	H	α-helix	trans	-76.7	-40.2	177	-174	178	-177.8	-178	0	112.1	N378 M379 D380 K385 I386	N378-K382 WeakPolarHBondContact O-CB 3.4Å; N378-K382 PolarHBondContact O-N 3.46Å; M379-K382 PolarHBondContact O-N 3.16Å; D380-K382 VanDerWaalsContact C-N 3.27Å; D380-K382 PolarHBondContact O-N 2.88Å; K382-K385 PolarHBondContact O-N 2.91Å; K382-I386 HydrophobicContact CG-CD1 4.14Å; K382-I386 WeakPolarHBondContact O-CB 3.45Å; K382-I386 WeakPolarHBondContact O-CD1 3.43Å; K382-I386 VanDerWaalsContact O-CG1 3.22Å; K382-I386 WeakPolarHBondContact O-CG1 3.44Å; K382-I386 PolarHBondContact O-N 2.84Å
383	N	58.5	Low	52.8	Low	81 Å²	81	101 Å²	101	43%	0.433	51%	0.506	S	S	.	.	H	α-helix	trans	-66.6	-39	173.7	-71.6	-25.1	0	0	0	110.5	M379 D380 I386 L387	M379-N383 WeakPolarHBondContact O-CB 3.37Å; M379-N383 PolarHBondContact O-N 2.85Å; M379-N383 PolarHBondContact O-ND2 2.91Å; M379-N383 VanDerWaalsContact O-ND2 3.13Å; D380-N383 PolarHBondContact O-N 3.4Å; N383-I386 PolarHBondContact O-N 2.04Å; N383-L387 WeakPolarHBondContact O-CB 3.46Å; N383-L387 PolarHBondContact O-N 2.9Å
384	E	66	Low	52.5	Low	95 Å²	95	104.8 Å²	104.8	44%	0.444	53%	0.526	S	S	.	.	H	α-helix	trans	-66.4	-42.5	174.4	-163.2	-165.8	168	0	0	111.3	D380 L387 K388	D380-E384 WeakPolarHBondContact O-CB 3.49Å; D380-E384 PolarHBondContact O-N 2.83Å; E384-L387 PolarHBondContact O-N 2.87Å; E384-K388 HydrophobicContact CG-CD 4.22Å; E384-K388 WeakPolarHBondContact O-CB 3.48Å; E384-K388 WeakPolarHBondContact O-CG 3.49Å; E384-K388 PolarHBondContact O-N 2.81Å; E384-K388 WeakPolarHBondContact OE1-CE 3.47Å; E384-K388 IonicContact OE1-NZ 2.6Å; E384-K388 PolarHBondContact OE1-NZ 2.9Å
385	K	66	Low	52.3	Low	103 Å²	103	108 Å²	108	45%	0.448	54%	0.537	S	S	.	.	H	α-helix	trans	-61.8	-40.6	171.9	-75.5	164.4	-174.2	168.6	0	112.1	E381 K382 N389	E381-K385 VanDerWaalsContact CD-CE 3.5Å; E381-K385 HydrophobicContact CG-CD 4.46Å; E381-K385 WeakPolarHBondContact O-CB 3.34Å; E381-K385 WeakPolarHBondContact O-CD 3.41Å; E381-K385 WeakPolarHBondContact O-CG 3.41Å; E381-K385 PolarHBondContact O-N 2.98Å; E381-K385 VanDerWaalsContact OE1-CE 3.25Å; E381-K385 WeakPolarHBondContact OE1-CE 3.18Å; E381-K385 IonicContact OE1-NZ 2.67Å; E381-K385 PolarHBondContact OE1-NZ 2.72Å; E381-K385 IonicContact OE2-NZ 2.8Å; E381-K385 PolarHBondContact OE2-NZ 2.86Å; K382-K385 PolarHBondContact O-N 2.91Å; K385-N389 VanDerWaalsContact O-CB 3.32Å; K385-N389 WeakPolarHBondContact O-CB 3.42Å; K385-N389 PolarHBondContact O-N 2.89Å; K385-N389 PolarHBondContact O-ND2 2.79Å
386	I	66	Low	52.1	Low	92 Å²	92	111.7 Å²	111.7	47%	0.472	56%	0.56	S	S	.	*	H	α-helix	trans	-67.5	-41	175.2	-71.2	164.1	0	0	0	110.9	K382 N383 N389 S390	K382-I386 HydrophobicContact CG-CD1 4.14Å; K382-I386 WeakPolarHBondContact O-CB 3.45Å; K382-I386 WeakPolarHBondContact O-CD1 3.43Å; K382-I386 VanDerWaalsContact O-CG1 3.22Å; K382-I386 WeakPolarHBondContact O-CG1 3.44Å; K382-I386 PolarHBondContact O-N 2.84Å; N383-I386 PolarHBondContact O-N 2.04Å; I386-N389 PolarHBondContact O-N 3.26Å; I386-S390 VanDerWaalsContact O-CB 3.29Å; I386-S390 WeakPolarHBondContact O-CB 3.45Å; I386-S390 PolarHBondContact O-N 3Å; I386-S390 PolarHBondContact O-OG 2.96Å
387	L	67.1	Low	51.8	Low	94 Å²	94	112.5 Å²	112.5	49%	0.492	57%	0.573	S	S	.	*	H	α-helix	trans	-68.2	-40.1	179.1	-172.2	68.4	0	0	0	111.7	N383 E384 S390 K391	N383-L387 WeakPolarHBondContact O-CB 3.46Å; N383-L387 PolarHBondContact O-N 2.9Å; E384-L387 PolarHBondContact O-N 2.87Å; L387-S390 PolarHBondContact O-N 2.95Å; L387-K391 HydrophobicContact CG-CD 4.35Å; L387-K391 WeakPolarHBondContact O-CB 3.41Å; L387-K391 WeakPolarHBondContact O-CG 3.4Å; L387-K391 PolarHBondContact O-N 3.05Å
388	K	68.8	Low	51.6	Low	112 Å²	112	116.6 Å²	116.6	49%	0.487	59%	0.589	S	S	.	*	H	α-helix	trans	-62.5	-53.3	172.4	-78.1	169.3	167	168.3	0	110.9	E384 S390 K391 E392	E384-K388 HydrophobicContact CG-CD 4.22Å; E384-K388 WeakPolarHBondContact O-CB 3.48Å; E384-K388 WeakPolarHBondContact O-CG 3.49Å; E384-K388 PolarHBondContact O-N 2.81Å; E384-K388 WeakPolarHBondContact OE1-CE 3.47Å; E384-K388 IonicContact OE1-NZ 2.6Å; E384-K388 PolarHBondContact OE1-NZ 2.9Å; K388-S390 PolarHBondContact O-N 3.49Å; K388-S390 VanDerWaalsContact O-N 3.13Å; K388-K391 PolarHBondContact O-N 2.92Å; K388-K391 VanDerWaalsContact O-N 3.08Å; K388-E392 PolarHBondContact O-N 2.89Å
389	N	58.7	Low	51.1	Low	104 Å²	104	119.2 Å²	119.2	56%	0.556	60%	0.603	S	S	*	*	H	α-helix	trans	-60	-25.7	176.2	-70.5	-12.4	0	0	0	113.8	K385 I386	K385-N389 VanDerWaalsContact O-CB 3.32Å; K385-N389 WeakPolarHBondContact O-CB 3.42Å; K385-N389 PolarHBondContact O-N 2.89Å; K385-N389 PolarHBondContact O-ND2 2.79Å; I386-N389 PolarHBondContact O-N 3.26Å
390	S	59.1	Low	50.5	Low	59 Å²	59	117.7 Å²	117.7	41%	0.413	60%	0.604	S	S	.	*	H	α-helix	trans	-82.1	-38.7	175.2	-56.8	0	0	0	0	112.3	I386 L387 K388 K393 L394	I386-S390 VanDerWaalsContact O-CB 3.29Å; I386-S390 WeakPolarHBondContact O-CB 3.45Å; I386-S390 PolarHBondContact O-N 3Å; I386-S390 PolarHBondContact O-OG 2.96Å; L387-S390 PolarHBondContact O-N 2.95Å; K388-S390 PolarHBondContact O-N 3.49Å; K388-S390 VanDerWaalsContact O-N 3.13Å; S390-K393 PolarHBondContact O-N 2.83Å; S390-L394 WeakPolarHBondContact O-CD1 3.31Å
391	K	51	Low	49.5	Very low	131 Å²	131	123.6 Å²	123.6	57%	0.57	62%	0.621	S	S	*	*	H	α-helix	trans	-72.2	-36	177.2	-76.3	-177.8	175.7	-175.2	0	112.7	L387 K388 K393 L394	L387-K391 HydrophobicContact CG-CD 4.35Å; L387-K391 WeakPolarHBondContact O-CB 3.41Å; L387-K391 WeakPolarHBondContact O-CG 3.4Å; L387-K391 PolarHBondContact O-N 3.05Å; K388-K391 PolarHBondContact O-N 2.92Å; K388-K391 VanDerWaalsContact O-N 3.08Å; K391-K393 PolarHBondContact O-N 2.81Å; K391-K393 VanDerWaalsContact O-N 3.14Å; K391-L394 PolarHBondContact O-N 3.45Å
392	E	51.6	Low	48.4	Very low	161 Å²	161	127 Å²	127	75%	0.752	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-6.4	173.6	-70.4	-176.3	141.8	0	0	113.7	K388	K388-E392 PolarHBondContact O-N 2.89Å
393	K	43.5	Very low	47	Very low	182 Å²	182	129 Å²	129	79%	0.791	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-3.4	172.5	-80.6	-169.7	171.3	-173.4	0	115	S390 K391	S390-K393 PolarHBondContact O-N 2.83Å; K391-K393 PolarHBondContact O-N 2.81Å; K391-K393 VanDerWaalsContact O-N 3.14Å
394	L	33.3	Very low	45.5	Very low	144 Å²	144	133.1 Å²	133.1	75%	0.754	67%	0.667	S	S	*	*			trans	-140	66.2	-177.7	-74.7	98.2	0	0	0	112.5	S390 K391	S390-L394 WeakPolarHBondContact O-CD1 3.31Å; K391-L394 PolarHBondContact O-N 3.45Å
395	I	36.5	Very low	43.9	Very low	150 Å²	150	137.5 Å²	137.5	77%	0.769	69%	0.687	S	S	*	*			trans	-132	138.1	162.5	-65.9	-176.2	0	0	0	107.2
396	P	37	Very low	42.1	Very low	119 Å²	119	141.9 Å²	141.9	77%	0.773	70%	0.702	S	S	*	*			trans	-113.8	173.3	-134	41.4	-35.9	0	0	0	116.2
397	S	33.7	Very low	40.4	Very low	117 Å²	117	143.9 Å²	143.9	82%	0.818	71%	0.714	S	S	*	*			trans	-100.8	144.2	154.2	57.7	0	0	0	0	110.4
398	E	35.4	Very low	38.8	Very low	176 Å²	176	146.4 Å²	146.4	82%	0.822	73%	0.728	S	S	*	*			trans	-76.3	156.8	-173.6	-62.9	168.5	112.3	0	0	114.6
399	N	33.4	Very low	37.2	Very low	156 Å²	156	148.1 Å²	148.1	83%	0.834	74%	0.742	S	S	*	*			trans	123.1	137.8	154.5	-65.2	-47.6	0	0	0	115.8
400	S	32	Very low	36.3	Very low	78 Å²	78	149.1 Å²	149.1	55%	0.545	75%	0.748	S	S	.	*			cis	-171.7	137.2	-32.2	45.6	0	0	0	0	110.2
401	Y	30.9	Very low	35.1	Very low	214 Å²	214	152.9 Å²	152.9	84%	0.839	76%	0.763	S	S	*	*			trans	61.8	161.6	166.2	-46.7	-60.8	0	0	0	118.8
402	Q	30.4	Very low	34.4	Very low	165 Å²	165	153.7 Å²	153.7	77%	0.771	77%	0.774	S	S	*	*				-159.3	131	-51.9	-153	176.6	4.3	0	0	110.5
403	M	27.9	Very low	33.5	Very low	175 Å²	175	151.7 Å²	151.7	86%	0.862	77%	0.768	S	S	*	*			trans	56.9	148.3	158.6	-138	157.8	74.2	0	0	120.7
404	E	27.4	Very low	32.9	Very low	168 Å²	168	150.3 Å²	150.3	79%	0.785	76%	0.762	S	S	*	*			trans	-86.4	154	-175.8	-56.8	142.6	122.8	0	0	112.7
405	Q	33	Very low	32.6	Very low	188 Å²	188	148.5 Å²	148.5	88%	0.879	76%	0.761	S	S	*	*			trans	-149	149	133	-145.8	174.2	-59.4	0	0	110.9
406	Y	26.7	Very low	32.2	Very low	195 Å²	195	150 Å²	150	77%	0.765	77%	0.765	S	S	*	*			trans	-73.4	153.9	174.5	-79.3	-126.3	0	0	0	111.2
407	D	32.1	Very low	31.7	Very low	134 Å²	134	153.8 Å²	153.8	72%	0.717	77%	0.765	S	S	*	*				-177.2	143.9	97.5	-84.6	-34.4	0	0	0	112.7
408	D	32.6	Very low	31.5	Very low	146 Å²	146	156.6 Å²	156.6	78%	0.781	77%	0.769	S	S	*	*			trans	48.9	145.6	154.8	-66.1	-27.8	0	0	0	126.8
409	D	36.3	Very low	31.1	Very low	148 Å²	148	155 Å²	155	79%	0.791	76%	0.762	S	S	*	*			trans	82.8	146.2	144.8	-86	-26.3	0	0	0	125.8
410	D	39.3	Very low	30.9	Very low	125 Å²	125	152.6 Å²	152.6	67%	0.668	76%	0.757	S	S	*	*			trans	58.2	94	159.5	-81.5	-35.2	0	0	0	122.7
411	N	34.1	Very low	30.6	Very low	138 Å²	138	153.7 Å²	153.7	74%	0.738	76%	0.757	S	S	*	*				67.7	156	114.9	-78.7	-52.6	0	0	0	123.8
412	D	35.3	Very low	30.4	Very low	148 Å²	148	153.4 Å²	153.4	79%	0.791	76%	0.756	S	S	*	*			trans	60.7	82.6	161.1	-67.4	-16.1	0	0	0	122.1
413	D	33.5	Very low	30.2	Very low	120 Å²	120	150.6 Å²	150.6	64%	0.642	76%	0.755	S	S	*	*				70.3	127.7	109	-153.9	32.6	0	0	0	121.8
414	K	30.6	Very low	30.1	Very low	153 Å²	153	151.9 Å²	151.9	67%	0.665	75%	0.751	S	S	*	*			trans	60.9	88.3	160.1	-75.5	164.8	-167	73.6	0	120
415	S	26.7	Very low	30.3	Very low	105 Å²	105	151 Å²	151	73%	0.734	75%	0.752	S	S	*	*				49.1	105	120.6	64.6	0	0	0	0	119.2
416	H	28.7	Very low	30	Very low	181 Å²	181	147.8 Å²	147.8	84%	0.838	74%	0.741	S	S	*	*			trans	-133.9	142.8	154	-109.1	-90.9	0	0	0	113.8
417	Y	27.2	Very low	30.3	Very low	199 Å²	199	145.2 Å²	145.2	78%	0.78	74%	0.74	S	S	*	*			trans	-50.7	139.7	-179.2	-66.4	-109.1	0	0	0	114.1
418	I	28.6	Very low	30.1	Very low	177 Å²	177	144.3 Å²	144.3	91%	0.908	74%	0.74	S	S	*	*			trans	-96.1	109.7	138.5	-65.4	-176.6	0	0	0	107.4
419	Q	26.4	Very low	30	Very low	141 Å²	141	143 Å²	143	66%	0.659	74%	0.737	S	S	*	*			trans	-94.6	177.8	176.1	-177.5	174.7	-12.3	0	0	109.1
420	S	29.6	Very low	29.7	Very low	107 Å²	107	141.1 Å²	141.1	75%	0.748	73%	0.731	S	S	*	*			trans	85.7	155.2	159.8	85.6	0	0	0	0	117.9
421	N	25.5	Very low	29.3	Very low	101 Å²	101	140.8 Å²	140.8	54%	0.54	73%	0.734	S	S	.	*			cis	-176.2	148.5	-48.4	-112.5	-10.3	0	0	0	110.2
422	Y	26.3	Very low	29.1	Very low	208 Å²	208	140.4 Å²	140.4	82%	0.816	73%	0.732	S	S	*	*			trans	60.5	170.9	165.4	-45.3	-51.8	0	0	0	114.8
423	S	27.6	Very low	29.1	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	73%	0.728	S	S	*	*			cis	-141.9	156.4	-2.9	-167	0	0	0	0	111.5
424	Y	25.4	Very low	29.1	Very low	201 Å²	201	139.3 Å²	139.3	79%	0.788	73%	0.73	S	S	*	*			trans	-59.9	142.2	150.1	-103	-111.6	0	0	0	109.8
425	N	31.3	Very low	29.1	Very low	150 Å²	150	136.7 Å²	136.7	80%	0.802	73%	0.727	S	S	*	*				-165.3	164.7	119.1	-117.2	-34.6	0	0	0	114.3
426	N	27.6	Very low	29.5	Very low	120 Å²	120	138.9 Å²	138.9	64%	0.642	73%	0.725	S	S	*	*			trans	-89.8	158.4	-175	-53.8	-66.1	0	0	0	113.2
427	N	32.6	Very low	29.8	Very low	141 Å²	141	135.7 Å²	135.7	75%	0.754	72%	0.715	S	S	*	*				170.5	121.8	123.9	-81.4	-16.7	0	0	0	107.8
428	T	28.4	Very low	30	Very low	115 Å²	115	132.1 Å²	132.1	71%	0.706	71%	0.709	S	S	*	*				48	133	86.2	60.4	0	0	0	0	113.9
429	T	29.2	Very low	30.1	Very low	119 Å²	119	130.3 Å²	130.3	73%	0.73	70%	0.7	S	S	*	*			cis	-155.9	159.6	27.2	-22.9	0	0	0	0	113.1
430	T	29.5	Very low	30.2	Very low	109 Å²	109	128.2 Å²	128.2	67%	0.669	70%	0.701	S	S	*	*			trans	-4.1	137.4	155.7	56.1	0	0	0	0	119.1
431	T	30.7	Very low	30.2	Very low	118 Å²	118	128 Å²	128	72%	0.724	70%	0.699	S	S	*	*				168.1	164.2	89.5	38.4	0	0	0	0	108
432	N	31.3	Very low	30.6	Very low	129 Å²	129	128.5 Å²	128.5	69%	0.69	71%	0.711	S	S	*	*			cis	-164	172.5	-15.4	-105.9	-0.6	0	0	0	109.5
433	N	35.6	Very low	30.7	Very low	134 Å²	134	126.5 Å²	126.5	72%	0.717	71%	0.712	S	S	*	*			trans	73.3	128.7	162.7	-58.7	-10.7	0	0	0	116.6
434	T	31.8	Very low	30.9	Very low	112 Å²	112	126.4 Å²	126.4	69%	0.687	71%	0.712	S	S	*	*			cis	74.6	136.1	41.7	75.2	0	0	0	0	113.3
435	T	31.1	Very low	31.1	Very low	98 Å²	98	121.3 Å²	121.3	60%	0.601	71%	0.705	S	S	*	*			cis	-165.9	-176.2	1.9	13.1	0	0	0	0	109.7
436	H	34.5	Very low	31.2	Very low	150 Å²	150	121.6 Å²	121.6	69%	0.694	71%	0.707	S	S	*	*			trans	76.9	151.5	155.1	-59.5	-48.4	0	0	0	117.1
437	N	35.3	Very low	31.2	Very low	115 Å²	115	123.4 Å²	123.4	62%	0.615	72%	0.717	S	S	*	*			cis	-163.7	157.8	-11.3	-110.4	-4.7	0	0	0	111.2
438	N	32.4	Very low	31.1	Very low	123 Å²	123	121.7 Å²	121.7	66%	0.658	72%	0.722	S	S	*	*				33.2	148.8	128.2	-53.9	-10.6	0	0	0	121.2
439	I	30.6	Very low	31.3	Very low	139 Å²	139	128.2 Å²	128.2	71%	0.713	73%	0.734	S	S	*	*			cis	-176.2	152	-14.9	-113.1	159.7	0	0	0	108.1
440	S	28.7	Very low	31.2	Very low	97 Å²	97	130.1 Å²	130.1	68%	0.678	74%	0.74	S	S	*	*			trans	50.6	129.2	156.4	73.1	0	0	0	0	125.6
441	S	29.5	Very low	31.3	Very low	102 Å²	102	130.1 Å²	130.1	71%	0.713	74%	0.742	S	S	*	*				72.1	113.7	123	69.4	0	0	0	0	124.9
442	S	33	Very low	31.5	Very low	113 Å²	113	130.6 Å²	130.6	79%	0.79	74%	0.744	S	S	*	*				179.7	116.2	127.8	48.8	0	0	0	0	108.3
443	I	28.2	Very low	31.5	Very low	165 Å²	165	130.6 Å²	130.6	85%	0.846	75%	0.749	S	S	*	*				70.7	99.9	68.3	-60.3	173.9	0	0	0	114.2
444	S	31.7	Very low	31.4	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	76%	0.759	S	S	*	*			trans	168.8	91.1	149.4	179.5	0	0	0	0	109
445	S	29.7	Very low	31.5	Very low	93 Å²	93	134.7 Å²	134.7	65%	0.65	76%	0.755	S	S	*	*				71.3	102.4	73.1	74.6	0	0	0	0	116.3
446	N	32.8	Very low	31.4	Very low	156 Å²	156	137.6 Å²	137.6	83%	0.834	77%	0.767	S	S	*	*			trans	-175.4	92	148.6	-94.8	-30.7	0	0	0	109.2
447	N	28.6	Very low	31.2	Very low	159 Å²	159	137.7 Å²	137.7	85%	0.85	77%	0.771	S	S	*	*				70.8	94.6	85.5	-81.9	-22.6	0	0	0	116.3
448	A	31.6	Very low	31.2	Very low	105 Å²	105	138.6 Å²	138.6	87%	0.868	77%	0.774	S	S	*	*			trans	-142.5	148	155.1	0	0	0	0	0	109.5
449	R	31.7	Very low	31	Very low	251 Å²	251	139.2 Å²	139.2	95%	0.947	78%	0.778	S	S	*	*			trans	-81.1	152.4	-159.5	-66	168.3	174.8	152.7	-3.7	114.8
450	N	26.1	Very low	31.1	Very low	160 Å²	160	140 Å²	140	86%	0.856	78%	0.78	S	S	*	*			trans	-139.8	140.6	166.6	-119.2	0	0	0	0	109.8
451	P	33.3	Very low	31.1	Very low	109 Å²	109	142.8 Å²	142.8	71%	0.708	79%	0.788	S	S	*	*			trans	-108.6	104.2	160.6	32.8	-21.9	0	0	0	112.2
452	T	35.1	Very low	31.3	Very low	127 Å²	127	142 Å²	142	78%	0.779	78%	0.782	S	S	*	*			trans	59.3	114.9	132.4	56.7	0	0	0	0	121.3
453	V	30.6	Very low	31.2	Very low	129 Å²	129	145.9 Å²	145.9	78%	0.782	79%	0.788	S	S	*	*			trans	-97.7	130.2	168.3	173.4	0	0	0	0	111.1
454	W	32.6	Very low	31.4	Very low	244 Å²	244	146.5 Å²	146.5	92%	0.924	79%	0.785	S	S	*	*			trans	-116.1	139.7	147	-71.3	53.9	0	0	0	105.3
455	S	35.4	Very low	31.3	Very low	88 Å²	88	152.6 Å²	152.6	62%	0.615	79%	0.792	S	S	*	*			cis	-152.3	131.7	6.9	49.3	0	0	0	0	111.2
456	N	28.9	Very low	31.3	Very low	160 Å²	160	154.2 Å²	154.2	86%	0.856	80%	0.8	S	S	*	*			trans	-109.2	91.5	165.9	-88.6	-19.4	0	0	0	109.2
457	I	30.3	Very low	31.2	Very low	151 Å²	151	153.4 Å²	153.4	77%	0.774	80%	0.801	S	S	*	*			trans	174.9	130.7	176.2	-92.9	145.9	0	0	0	101.8
458	I	35.1	Very low	31.1	Very low	134 Å²	134	152 Å²	152	69%	0.687	80%	0.797	S	S	*	*			cis	-131.5	143.6	33.8	-50	164.7	0	0	0	110.4	M460	I458-M460 HydrophobicContact CB-CG 4.32Å; I458-M460 HydrophobicContact CG2-CG 3.51Å; I458-M460 HydrophobicContact CG2-SD 4.38Å
459	D	27.5	Very low	31	Very low	136 Å²	136	153.9 Å²	153.9	73%	0.727	79%	0.792	S	S	*	*			trans	-95.6	123.9	160.5	-179.2	-1.1	0	0	0	109	N461	D459-N461 PolarHBondContact OD1-N 2.91Å
460	M	32.4	Very low	30.9	Very low	156 Å²	156	148.9 Å²	148.9	77%	0.768	78%	0.782	S	S	*	*			trans	-116.6	45	-175.7	-70.6	-137.1	-72.3	0	0	113.6	I458	I458-M460 HydrophobicContact CB-CG 4.32Å; I458-M460 HydrophobicContact CG2-CG 3.51Å; I458-M460 HydrophobicContact CG2-SD 4.38Å
461	N	29.7	Very low	31	Very low	155 Å²	155	149 Å²	149	83%	0.829	78%	0.777	S	S	*	*			trans	-125.9	51.4	168.4	-84.7	-60.5	0	0	0	113.8	D459	D459-N461 PolarHBondContact OD1-N 2.91Å
462	S	34	Very low	30.9	Very low	86 Å²	86	151.7 Å²	151.7	60%	0.601	78%	0.778	S	S	*	*			trans	-150.7	140.4	162.1	62.8	0	0	0	0	114.1
463	E	29.8	Very low	30.6	Very low	195 Å²	195	151.8 Å²	151.8	91%	0.911	78%	0.779	S	S	*	*			trans	-77.9	114	169.5	-61.3	171	116.5	0	0	109.4
464	F	32.9	Very low	30.6	Very low	177 Å²	177	154.1 Å²	154.1	78%	0.776	79%	0.785	S	S	*	*			trans	-138.1	117.5	172.2	-93.1	-77.1	0	0	0	114.7
465	R	28.5	Very low	30.3	Very low	234 Å²	234	151.2 Å²	151.2	88%	0.883	78%	0.779	S	S	*	*			trans	-75.5	142.1	147.9	-66.7	-178.8	176	-137.8	0.4	108.1	T467	R465-T467 PolarHBondContact O-N 2.57Å
466	P	29.5	Very low	30.1	Very low	127 Å²	127	154.9 Å²	154.9	83%	0.825	79%	0.786	S	S	*	*			trans	-86.1	114.1	-169.4	31.9	-34.7	0	0	0	113.9
467	T	31.2	Very low	30.2	Very low	138 Å²	138	152.5 Å²	152.5	85%	0.847	77%	0.774	S	S	*	*			trans	-145.9	159.8	151.9	-30.8	0	0	0	0	109.7	R465	R465-T467 PolarHBondContact O-N 2.57Å
468	V	27.3	Very low	30.1	Very low	129 Å²	129	151.7 Å²	151.7	78%	0.782	77%	0.771	S	S	*	*			trans	-110	161	-155.2	-167	0	0	0	0	112.9
469	I	30.1	Very low	29.9	Very low	145 Å²	145	153.1 Å²	153.1	74%	0.744	78%	0.775	S	S	*	*			trans	124.9	100.6	149	-63	175.1	0	0	0	115.7
470	I	29	Very low	30	Very low	147 Å²	147	153.2 Å²	153.2	75%	0.754	78%	0.775	S	S	*	*			trans	12.1	134.9	137.4	1.8	173.4	0	0	0	117.6
471	H	28.3	Very low	30	Very low	163 Å²	163	154 Å²	154	76%	0.755	78%	0.776	S	S	*	*				-171.8	-173	74.4	-151.6	-109.5	0	0	0	115.8
472	K	30.2	Very low	30.2	Very low	165 Å²	165	151.6 Å²	151.6	72%	0.717	76%	0.763	S	S	*	*			trans	-64.8	142.2	-162.9	-73.9	-179.3	178	176.5	0	119.7
473	T	28.5	Very low	30.4	Very low	129 Å²	129	152.2 Å²	152.2	79%	0.791	77%	0.768	S	S	*	*			trans	7	135.4	139.3	62.6	0	0	0	0	121.1
474	L	31.1	Very low	30.9	Very low	177 Å²	177	149.2 Å²	149.2	93%	0.927	76%	0.758	S	S	*	*			trans	-142.9	158.4	146.6	-113.9	168.1	0	0	0	110.3
475	K	26.2	Very low	31.4	Very low	183 Å²	183	147.4 Å²	147.4	80%	0.796	75%	0.754	S	S	*	*			trans	-144.9	121.3	-168.9	172.4	-162.7	176.6	-170.4	0	109.8
476	H	31.9	Very low	31.9	Very low	165 Å²	165	144.2 Å²	144.2	76%	0.764	75%	0.746	S	S	*	*			trans	-162.1	127.2	153.4	-110.5	-78.8	0	0	0	112
477	D	30.8	Very low	32.3	Very low	110 Å²	110	145.7 Å²	145.7	59%	0.588	74%	0.74	S	S	*	*			trans	44.6	141.6	139.1	-55.3	-6.3	0	0	0	125
478	N	28	Very low	33	Very low	135 Å²	135	142 Å²	142	72%	0.722	72%	0.719	S	S	*	*			trans	34.9	130.3	132.4	-52.4	-26.1	0	0	0	119.1
479	H	31.3	Very low	33.8	Very low	164 Å²	164	141.2 Å²	141.2	76%	0.759	71%	0.71	S	S	*	*			cis	-157.5	171.1	31.7	-120.6	-59.9	0	0	0	112.5	H481	H479-H481 PolarHBondContact O-N 3.32Å
480	N	29.1	Very low	34.7	Very low	137 Å²	137	138.8 Å²	138.8	73%	0.733	70%	0.698	S	S	*	*			trans	-18.6	117	166	-60.4	-15.7	0	0	0	117.8
481	H	33	Very low	35.8	Very low	173 Å²	173	137.2 Å²	137.2	80%	0.801	69%	0.69	S	S	*	*				-168.8	168.1	115.8	-120.1	-91.7	0	0	0	114.1	H479	H479-H481 PolarHBondContact O-N 3.32Å
482	N	34.3	Very low	36.7	Very low	104 Å²	104	134.3 Å²	134.3	56%	0.556	68%	0.68	S	S	*	*			trans	63.4	60.5	158.8	-65.9	-2.8	0	0	0	119.6	N484 M485	N482-N484 PolarHBondContact O-N 3.2Å; N482-M485 PolarHBondContact O-N 2.69Å
483	S	37.6	Very low	37.8	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-24.2	159.2	53.7	0	0	0	0	113.9	M485	S483-M485 VanDerWaalsContact C-N 3.33Å; S483-M485 PolarHBondContact O-N 2.7Å
484	N	40.6	Very low	38.7	Very low	132 Å²	132	133.5 Å²	133.5	71%	0.706	67%	0.668	S	S	*	*	H	α-helix	trans	-70.2	-21.6	-179	-75.4	-11.8	0	0	0	114.5	N482	N482-N484 PolarHBondContact O-N 3.2Å
485	M	42.2	Very low	39.7	Very low	138 Å²	138	130.9 Å²	130.9	68%	0.68	65%	0.649	S	S	*	*	H	α-helix	trans	-79	-23.2	-176.7	-156.6	170.5	-170.5	0	0	113.2	N482 S483 S488 L489	N482-M485 PolarHBondContact O-N 2.69Å; S483-M485 VanDerWaalsContact C-N 3.33Å; S483-M485 PolarHBondContact O-N 2.7Å; M485-S488 PolarHBondContact O-OG 2.97Å; M485-L489 PolarHBondContact O-N 3.48Å
486	K	40.2	Very low	41.2	Very low	168 Å²	168	127.3 Å²	127.3	73%	0.73	64%	0.638	S	S	*	*	H	α-helix	trans	-78.5	-27.9	177.2	-72.6	-170.7	175.2	-176	0	113.4	L490	K486-L490 PolarHBondContact O-N 3.46Å
487	K	38.3	Very low	41.8	Very low	158 Å²	158	126.3 Å²	126.3	69%	0.687	63%	0.632	S	S	*	*	H	α-helix	trans	-74	-39.8	176.3	-78.4	-169.9	173.9	-176.6	0	112.7	I491	K487-I491 VanDerWaalsContact O-CG1 3.31Å; K487-I491 WeakPolarHBondContact O-CG1 3.41Å; K487-I491 PolarHBondContact O-N 2.97Å; K487-I491 VanDerWaalsContact O-N 3.09Å
488	S	45.9	Very low	42.7	Very low	59 Å²	59	124.5 Å²	124.5	41%	0.413	63%	0.627	S	S	.	*	H	α-helix	trans	-66.3	-38.2	174.9	53.2	0	0	0	0	112.3	M485 I491 N492	M485-S488 PolarHBondContact O-OG 2.97Å; S488-I491 PolarHBondContact O-N 2.87Å; S488-N492 WeakPolarHBondContact O-CB 3.43Å; S488-N492 PolarHBondContact O-N 2.83Å
489	L	44	Very low	43.8	Very low	113 Å²	113	122.2 Å²	122.2	59%	0.592	61%	0.612	S	S	*	*	H	α-helix	trans	-63	-43.4	177.2	-158.3	75	0	0	0	112.4	M485 N492 Q493	M485-L489 PolarHBondContact O-N 3.48Å; L489-N492 PolarHBondContact O-N 2.95Å; L489-Q493 PolarHBondContact O-N 2.81Å
490	L	48.9	Very low	44.6	Very low	94 Å²	94	119.1 Å²	119.1	49%	0.492	60%	0.601	S	S	.	*	H	α-helix	trans	-65	-44.3	175.4	-85	164	0	0	0	112.6	K486 N492 Q493 F494	K486-L490 PolarHBondContact O-N 3.46Å; L490-N492 VanDerWaalsContact C-N 3.32Å; L490-N492 PolarHBondContact O-N 3.3Å; L490-Q493 PolarHBondContact O-N 2.79Å; L490-F494 WeakPolarHBondContact O-CD2 2.84Å; L490-F494 PolarHBondContact O-N 2.86Å
491	I	51.1	Low	45.5	Very low	115 Å²	115	118.7 Å²	118.7	59%	0.59	59%	0.594	S	S	*	*	H	α-helix	trans	-62	-42.3	177.9	-70.3	167.1	0	0	0	110.7	K487 S488 F494 K495	K487-I491 VanDerWaalsContact O-CG1 3.31Å; K487-I491 WeakPolarHBondContact O-CG1 3.41Å; K487-I491 PolarHBondContact O-N 2.97Å; K487-I491 VanDerWaalsContact O-N 3.09Å; S488-I491 PolarHBondContact O-N 2.87Å; I491-F494 PolarHBondContact O-N 3.02Å; I491-K495 WeakPolarHBondContact O-CB 3.4Å; I491-K495 PolarHBondContact O-N 3.01Å
492	N	48.2	Very low	45.9	Very low	102 Å²	102	113.3 Å²	113.3	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-67.7	-38.9	176.7	-73.4	-5	0	0	0	112.3	S488 L489 L490 K495 L496	S488-N492 WeakPolarHBondContact O-CB 3.43Å; S488-N492 PolarHBondContact O-N 2.83Å; L489-N492 PolarHBondContact O-N 2.95Å; L490-N492 VanDerWaalsContact C-N 3.32Å; L490-N492 PolarHBondContact O-N 3.3Å; N492-K495 PolarHBondContact O-N 2.82Å; N492-L496 WeakPolarHBondContact O-CB 3.39Å; N492-L496 PolarHBondContact O-N 2.95Å
493	Q	51.9	Low	46.2	Very low	127 Å²	127	117 Å²	117	59%	0.593	58%	0.583	S	S	*	*	H	α-helix	trans	-63.1	-43.9	174.3	-82.9	-170	-28.7	0	0	112.6	L489 L490 K497	L489-Q493 PolarHBondContact O-N 2.81Å; L490-Q493 PolarHBondContact O-N 2.79Å; Q493-K497 WeakPolarHBondContact O-CB 3.49Å; Q493-K497 PolarHBondContact O-N 2.8Å
494	F	48.4	Very low	46.6	Very low	150 Å²	150	117.1 Å²	117.1	66%	0.658	57%	0.574	S	S	*	*	H	α-helix	trans	-64	-41	176	-90.4	-79.1	0	0	0	112.1	L490 I491 K497 S498	L490-F494 WeakPolarHBondContact O-CD2 2.84Å; L490-F494 PolarHBondContact O-N 2.86Å; I491-F494 PolarHBondContact O-N 3.02Å; F494-K497 PolarHBondContact O-N 2.89Å; F494-S498 PolarHBondContact O-N 3.45Å; F494-S498 PolarHBondContact O-OG 3.48Å
495	K	52.4	Low	46.6	Very low	122 Å²	122	118.3 Å²	118.3	53%	0.53	58%	0.576	S	S	.	*	H	α-helix	trans	-64	-47.4	177.4	-164.1	178	179.9	-172.3	0	112	I491 N492 K497 S498 E499	I491-K495 WeakPolarHBondContact O-CB 3.4Å; I491-K495 PolarHBondContact O-N 3.01Å; N492-K495 PolarHBondContact O-N 2.82Å; K495-K497 VanDerWaalsContact C-N 3.28Å; K495-K497 PolarHBondContact O-N 3.4Å; K495-S498 PolarHBondContact O-N 2.72Å; K495-S498 PolarHBondContact O-OG 3.03Å; K495-E499 VanDerWaalsContact CE-OE1 3.3Å; K495-E499 WeakPolarHBondContact CE-OE1 3.2Å; K495-E499 WeakPolarHBondContact O-CG 3.38Å; K495-E499 PolarHBondContact O-N 3.06Å
496	L	56.9	Low	46.5	Very low	107 Å²	107	118.8 Å²	118.8	56%	0.56	58%	0.576	S	S	*	*	H	α-helix	trans	-60.2	-38.7	175.7	-130.1	79.5	0	0	0	111.8	N492 E499 L500	N492-L496 WeakPolarHBondContact O-CB 3.39Å; N492-L496 PolarHBondContact O-N 2.95Å; L496-E499 PolarHBondContact O-N 3.08Å; L496-L500 HydrophobicContact CG-CD1 4.32Å; L496-L500 WeakPolarHBondContact O-CD1 3.28Å; L496-L500 PolarHBondContact O-N 3.41Å
497	K	44.9	Very low	46.4	Very low	145 Å²	145	117 Å²	117	63%	0.63	57%	0.574	S	S	*	*	H	α-helix	trans	-65.2	-40.1	178.7	-158.9	167	-172.8	173.8	0	111.5	Q493 F494 K495 Q501	Q493-K497 WeakPolarHBondContact O-CB 3.49Å; Q493-K497 PolarHBondContact O-N 2.8Å; F494-K497 PolarHBondContact O-N 2.89Å; K495-K497 VanDerWaalsContact C-N 3.28Å; K495-K497 PolarHBondContact O-N 3.4Å; K497-Q501 VanDerWaalsContact O-CB 3.25Å; K497-Q501 WeakPolarHBondContact O-CB 3.23Å; K497-Q501 PolarHBondContact O-N 2.85Å; K497-Q501 VanDerWaalsContact O-N 3.08Å
498	S	49.8	Very low	46.2	Very low	71 Å²	71	119 Å²	119	50%	0.497	58%	0.579	S	S	.	*	H	α-helix	trans	-67.8	-35.3	171.8	53.5	0	0	0	0	114	F494 K495 Q501 S502	F494-S498 PolarHBondContact O-N 3.45Å; F494-S498 PolarHBondContact O-OG 3.48Å; K495-S498 PolarHBondContact O-N 2.72Å; K495-S498 PolarHBondContact O-OG 3.03Å; S498-Q501 PolarHBondContact O-N 2.87Å; S498-S502 PolarHBondContact O-N 2.98Å; S498-S502 PolarHBondContact O-OG 2.78Å
499	E	50.2	Low	45.6	Very low	87 Å²	87	125.6 Å²	125.6	41%	0.407	60%	0.601	S	S	.	*	H	α-helix	trans	-77.8	-26.9	-179.5	-72.6	172.8	156.8	0	0	113.3	K495 L496 S502 R503	K495-E499 VanDerWaalsContact CE-OE1 3.3Å; K495-E499 WeakPolarHBondContact CE-OE1 3.2Å; K495-E499 WeakPolarHBondContact O-CG 3.38Å; K495-E499 PolarHBondContact O-N 3.06Å; L496-E499 PolarHBondContact O-N 3.08Å; E499-S502 PolarHBondContact O-OG 2.84Å; E499-R503 WeakPolarHBondContact O-CG 3.24Å
500	L	49.3	Very low	44.9	Very low	99 Å²	99	125.1 Å²	125.1	52%	0.518	60%	0.603	S	S	.	*	H	α-helix	trans	-73.5	-44.2	166.1	-94.8	80.2	0	0	0	111.5	L496 S502 R503 I504	L496-L500 HydrophobicContact CG-CD1 4.32Å; L496-L500 WeakPolarHBondContact O-CD1 3.28Å; L496-L500 PolarHBondContact O-N 3.41Å; L500-S502 VanDerWaalsContact C-N 3.31Å; L500-S502 PolarHBondContact O-N 3.41Å; L500-R503 PolarHBondContact O-N 2.71Å; L500-I504 HydrophobicContact CB-CD1 4.46Å; L500-I504 VanDerWaalsContact O-CG1 3.3Å; L500-I504 WeakPolarHBondContact O-CG1 3.36Å; L500-I504 PolarHBondContact O-N 3.09Å
501	Q	47.9	Very low	43.9	Very low	128 Å²	128	128.4 Å²	128.4	60%	0.598	62%	0.621	S	S	*	*	H	α-helix	trans	-69.4	-28	-172.2	-164.3	163.3	-8.4	0	0	112.9	K497 S498	K497-Q501 VanDerWaalsContact O-CB 3.25Å; K497-Q501 WeakPolarHBondContact O-CB 3.23Å; K497-Q501 PolarHBondContact O-N 2.85Å; K497-Q501 VanDerWaalsContact O-N 3.08Å; S498-Q501 PolarHBondContact O-N 2.87Å
502	S	41.4	Very low	43	Very low	61 Å²	61	131.1 Å²	131.1	43%	0.427	64%	0.636	S	S	.	*	H	α-helix	trans	-72.3	-43.5	168.7	58.5	0	0	0	0	113	S498 E499 L500 I504 Q505 Q506	S498-S502 PolarHBondContact O-N 2.98Å; S498-S502 PolarHBondContact O-OG 2.78Å; E499-S502 PolarHBondContact O-OG 2.84Å; L500-S502 VanDerWaalsContact C-N 3.31Å; L500-S502 PolarHBondContact O-N 3.41Å; S502-I504 VanDerWaalsContact C-N 3.33Å; S502-I504 PolarHBondContact O-N 3.32Å; S502-Q505 PolarHBondContact O-N 3.34Å; S502-Q506 PolarHBondContact O-N 2.94Å
503	R	41.2	Very low	42	Very low	181 Å²	181	134.4 Å²	134.4	68%	0.683	65%	0.648	S	S	*	*	H	α-helix	trans	-65.5	-33.5	177.5	-73.7	-178.3	178.2	-128.1	-0.3	113.2	E499 L500 Q506 N507	E499-R503 WeakPolarHBondContact O-CG 3.24Å; L500-R503 PolarHBondContact O-N 2.71Å; R503-Q506 PolarHBondContact O-N 3.13Å; R503-N507 PolarHBondContact O-N 3.42Å
504	I	44.2	Very low	40.9	Very low	102 Å²	102	135.1 Å²	135.1	52%	0.523	66%	0.656	S	S	.	*	H	α-helix	trans	-67.8	-35.1	176.6	-70.9	165.5	0	0	0	111.4	L500 S502	L500-I504 HydrophobicContact CB-CD1 4.46Å; L500-I504 VanDerWaalsContact O-CG1 3.3Å; L500-I504 WeakPolarHBondContact O-CG1 3.36Å; L500-I504 PolarHBondContact O-N 3.09Å; S502-I504 VanDerWaalsContact C-N 3.33Å; S502-I504 PolarHBondContact O-N 3.32Å
505	Q	41	Very low	40.2	Very low	157 Å²	157	135.9 Å²	135.9	73%	0.734	67%	0.666	S	S	*	*	H	α-helix	trans	-79.9	-19.2	175.7	-68.4	-154.2	-65.2	0	0	114.4	S502	S502-Q505 PolarHBondContact O-N 3.34Å
506	Q	40.4	Very low	39.1	Very low	148 Å²	148	136.9 Å²	136.9	69%	0.692	68%	0.677	S	S	*	*	H	α-helix	trans	-81.4	-21.5	172.1	-69.9	-172.1	-55.9	0	0	113.3	S502 R503	S502-Q506 PolarHBondContact O-N 2.94Å; R503-Q506 PolarHBondContact O-N 3.13Å
507	N	37.7	Very low	37.7	Very low	130 Å²	130	139.4 Å²	139.4	70%	0.695	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	19.5	-179.8	-70.8	22.3	0	0	0	113.5	R503	R503-N507 PolarHBondContact O-N 3.42Å
508	Y	34.1	Very low	36.9	Very low	201 Å²	201	138.7 Å²	138.7	79%	0.788	69%	0.689	S	S	*	*	S	Bend	trans	-129.3	19.9	179.6	-121.4	-87.2	0	0	0	112.6
509	F	33.1	Very low	36.1	Very low	198 Å²	198	144 Å²	144	87%	0.868	71%	0.706	S	S	*	*	S	Bend	trans	-141.3	29.1	-177.1	-130.4	-87	0	0	0	112.9
510	T	30	Very low	35	Very low	102 Å²	102	146.8 Å²	146.8	63%	0.626	72%	0.723	S	S	*	*	S	Bend	trans	-147.8	101.8	171.4	48.8	0	0	0	0	106.9
511	D	28.6	Very low	34.1	Very low	163 Å²	163	149.4 Å²	149.4	87%	0.872	73%	0.732	S	S	*	*	S	Bend	trans	150.7	71	164	-79.5	-10.1	0	0	0	108.8
512	D	31.4	Very low	33.3	Very low	172 Å²	172	155.1 Å²	155.1	92%	0.92	75%	0.75	S	S	*	*			trans	-174.2	71.7	153.5	-105.1	-17	0	0	0	107.6
513	H	28.2	Very low	32.5	Very low	172 Å²	172	163.1 Å²	163.1	80%	0.796	77%	0.771	S	S	*	*			trans	-132.2	144.9	167.8	-130.9	-80.5	0	0	0	106.5
514	D	28.8	Very low	32.1	Very low	142 Å²	142	162.3 Å²	162.3	76%	0.759	78%	0.779	S	S	*	*			trans	70.8	80.7	173.2	-47.1	-15.4	0	0	0	116.1
515	L	31.9	Very low	31.3	Very low	165 Å²	165	161.7 Å²	161.7	86%	0.864	78%	0.784	S	S	*	*			trans	-173.3	127.2	153.5	-99.5	171.2	0	0	0	108.3
516	D	29.7	Very low	31.1	Very low	144 Å²	144	160.7 Å²	160.7	77%	0.77	79%	0.789	S	S	*	*			cis	-153.3	-172.6	-30.1	-145.5	-35	0	0	0	108.5
517	H	28.3	Very low	30.7	Very low	160 Å²	160	160.4 Å²	160.4	74%	0.741	79%	0.792	S	S	*	*			trans	-64.4	164.6	179.3	-111.8	-85.7	0	0	0	115.7
518	D	28.1	Very low	30.5	Very low	129 Å²	129	160 Å²	160	69%	0.69	79%	0.794	S	S	*	*			trans	69.1	110.7	158.9	-56.3	-16	0	0	0	119.7
519	H	33	Very low	30.5	Very low	184 Å²	184	158.5 Å²	158.5	85%	0.852	80%	0.799	S	S	*	*				-160.7	98.2	104.9	-112.4	-60.6	0	0	0	114.2
520	D	27.6	Very low	30.5	Very low	145 Å²	145	152.3 Å²	152.3	78%	0.775	79%	0.791	S	S	*	*			trans	-73.8	175.1	144.4	-108.8	-50.9	0	0	0	110
521	H	29.7	Very low	30.7	Very low	153 Å²	153	157.6 Å²	157.6	71%	0.708	81%	0.805	S	S	*	*			trans	82.6	99.3	-179.7	-66	-97.4	0	0	0	118.5
522	Y	31.5	Very low	31.1	Very low	249 Å²	249	155.3 Å²	155.3	98%	0.976	80%	0.799	S	S	*	*			trans	-131.5	84	134.1	-106.3	-84.2	0	0	0	110.3
523	R	24.7	Very low	31.2	Very low	228 Å²	228	154.2 Å²	154.2	86%	0.86	79%	0.792	S	S	*	*			trans	-156	99	173.3	-156.1	178.3	-166.5	-176.5	5.1	112.5
524	L	31.4	Very low	31.6	Very low	164 Å²	164	151.8 Å²	151.8	86%	0.859	79%	0.785	S	S	*	*			trans	-162.8	146.5	171.7	-123.4	77.3	0	0	0	105.8
525	S	27.9	Very low	31.6	Very low	89 Å²	89	152 Å²	152	62%	0.622	79%	0.787	S	S	*	*			cis	-163.6	155.3	-16.4	-133.3	0	0	0	0	109.1
526	T	36.4	Very low	31.6	Very low	136 Å²	136	153 Å²	153	83%	0.834	79%	0.789	S	S	*	*			trans	161	80.5	141	45.2	0	0	0	0	112.5
527	D	33.7	Very low	31.8	Very low	143 Å²	143	150.4 Å²	150.4	77%	0.765	78%	0.78	S	S	*	*				44.9	124.4	126	-73.3	-33.2	0	0	0	125.1
528	V	33.3	Very low	31.8	Very low	120 Å²	120	152.5 Å²	152.5	73%	0.727	78%	0.783	S	S	*	*				96.9	133.8	124.8	168.2	0	0	0	0	121.1
529	L	34	Very low	32	Very low	171 Å²	171	154.9 Å²	154.9	90%	0.895	79%	0.79	S	S	*	*			trans	70	129.9	173.3	-108.4	68.8	0	0	0	117.8
530	G	32.9	Very low	31.7	Very low	67 Å²	67	152.1 Å²	152.1	69%	0.691	79%	0.786	S	S	*	*			cis	173.7	129.4	-11.7	0	0	0	0	0	116.7
531	K	33.8	Very low	32	Very low	213 Å²	213	151.1 Å²	151.1	93%	0.926	79%	0.785	S	S	*	*			trans	78.4	140.2	163.9	-63	-175.9	175.7	-179.7	0	119.8
532	P	36.5	Very low	31.9	Very low	115 Å²	115	151.7 Å²	151.7	75%	0.747	79%	0.793	S	S	*	*			trans	-111.9	-179.4	177.7	43.4	-35.9	0	0	0	113.7
533	L	33.2	Very low	32	Very low	149 Å²	149	146.1 Å²	146.1	78%	0.78	79%	0.785	S	S	*	*			trans	-165.4	136.3	136.4	-130.7	73.5	0	0	0	115.3
534	N	36.2	Very low	32.2	Very low	122 Å²	122	142.3 Å²	142.3	65%	0.652	78%	0.782	S	S	*	*			trans	55.8	121.1	147.4	-65.8	-3.5	0	0	0	124.9
535	N	29.8	Very low	32.1	Very low	147 Å²	147	141 Å²	141	79%	0.786	78%	0.781	S	S	*	*				46	130.6	121.6	-51.4	-8.2	0	0	0	119.7
536	M	32.7	Very low	32.3	Very low	186 Å²	186	143 Å²	143	92%	0.916	79%	0.789	S	S	*	*				-161.4	157	64.6	-153.2	164.9	-169.2	0	0	113.1
537	P	32.9	Very low	31.9	Very low	89 Å²	89	143.8 Å²	143.8	58%	0.578	79%	0.787	S	S	*	*			trans	-116.6	170.5	-175.8	37.7	-25.4	0	0	0	116.2
538	Y	27.9	Very low	31.9	Very low	204 Å²	204	146.2 Å²	146.2	80%	0.8	79%	0.794	S	S	*	*			trans	72.5	124.1	168.9	-51.2	-71.1	0	0	0	119
539	H	33.9	Very low	31.6	Very low	179 Å²	179	147 Å²	147	83%	0.829	79%	0.789	S	S	*	*				-156.2	135	101.4	-119.2	-81.9	0	0	0	112.5
540	T	26.4	Very low	31.6	Very low	126 Å²	126	146.2 Å²	146.2	77%	0.773	79%	0.786	S	S	*	*			trans	-107.2	139.4	167.8	49.4	0	0	0	0	109.6
541	T	33.6	Very low	31.4	Very low	124 Å²	124	149.7 Å²	149.7	76%	0.761	78%	0.782	S	S	*	*			trans	-142.9	109.4	172.5	0.8	0	0	0	0	110.7
542	N	26.5	Very low	31.4	Very low	165 Å²	165	145.5 Å²	145.5	88%	0.882	78%	0.775	S	S	*	*			trans	-87.3	131.4	163.6	-77.6	-24	0	0	0	108.9
543	T	34.3	Very low	31.2	Very low	132 Å²	132	147.6 Å²	147.6	81%	0.81	78%	0.779	S	S	*	*			trans	-140.3	120.4	161.5	42.7	0	0	0	0	109.4
544	N	29	Very low	31.1	Very low	148 Å²	148	144.3 Å²	144.3	79%	0.791	78%	0.781	S	S	*	*			trans	-86.2	161.8	171.7	-70.3	-40.6	0	0	0	110.7
545	T	30.1	Very low	30.9	Very low	135 Å²	135	149.9 Å²	149.9	83%	0.828	79%	0.793	S	S	*	*			trans	65.8	155	168.4	75.8	0	0	0	0	115.4
546	T	32.3	Very low	30.9	Very low	131 Å²	131	148.2 Å²	148.2	80%	0.804	79%	0.789	S	S	*	*			cis	-128.2	160.2	11.8	44	0	0	0	0	114.7
547	I	27.5	Very low	31	Very low	154 Å²	154	145.7 Å²	145.7	79%	0.79	78%	0.779	S	S	*	*			trans	-56.4	141	171.9	-61.7	150.9	0	0	0	112.5	E549	I547-E549 HydrophobicContact CG2-CG 4.49Å
548	Q	32.4	Very low	31	Very low	194 Å²	194	148.9 Å²	148.9	91%	0.907	79%	0.79	S	S	*	*			trans	-145	137.3	135.3	-158.9	157.7	-15.2	0	0	109.7
549	E	28.5	Very low	31	Very low	135 Å²	135	145.4 Å²	145.4	63%	0.631	79%	0.79	S	S	*	*			trans	-85.9	153.5	-177.5	-53.9	-175.5	135.3	0	0	111.8	I547 K551	I547-E549 HydrophobicContact CG2-CG 4.49Å; E549-K551 IonicContact OE2-NZ 3.16Å; E549-K551 PolarHBondContact OE2-NZ 3.46Å
550	D	33	Very low	31	Very low	156 Å²	156	142.8 Å²	142.8	83%	0.834	79%	0.792	S	S	*	*				-146.8	165.7	122.8	-132.9	-32.5	0	0	0	112.7
551	K	29.1	Very low	31.1	Very low	139 Å²	139	147.5 Å²	147.5	60%	0.604	80%	0.795	S	S	*	*			trans	-96	161.3	-162.5	-65.1	168.3	-177.6	72.5	0	111.1	E549	E549-K551 IonicContact OE2-NZ 3.16Å; E549-K551 PolarHBondContact OE2-NZ 3.46Å
552	V	34.4	Very low	31	Very low	126 Å²	126	148.8 Å²	148.8	76%	0.764	80%	0.796	S	S	*	*				-160.1	127.3	72.8	161.3	0	0	0	0	113.3
553	N	31.1	Very low	31.1	Very low	158 Å²	158	148.3 Å²	148.3	85%	0.845	79%	0.789	S	S	*	*			trans	39	110.6	149.4	-58.2	-20.2	0	0	0	122.5
554	G	32.5	Very low	31	Very low	80 Å²	80	152.5 Å²	152.5	83%	0.825	79%	0.792	S	S	*	*			trans	-159.6	97.5	157	0	0	0	0	0	113.2
555	R	30.3	Very low	31	Very low	240 Å²	240	152 Å²	152	91%	0.906	79%	0.794	S	S	*	*			trans	-66.3	154.1	168.8	-78.9	-179.7	159.3	147.7	-8	109.9
556	T	31.5	Very low	30.9	Very low	112 Å²	112	151.6 Å²	151.6	69%	0.687	80%	0.795	S	S	*	*			cis	-168.9	154.9	-0.3	17.8	0	0	0	0	105.4
557	N	32.8	Very low	30.6	Very low	133 Å²	133	155 Å²	155	71%	0.711	80%	0.799	S	S	*	*			cis	-158.8	141.2	39.9	-104.7	-29.7	0	0	0	112.7
558	I	33.4	Very low	30.6	Very low	156 Å²	156	158.4 Å²	158.4	80%	0.8	80%	0.802	S	S	*	*			trans	32.8	114.2	141.6	-51.4	179.8	0	0	0	119.6
559	T	29.4	Very low	30.3	Very low	131 Å²	131	156 Å²	156	80%	0.804	80%	0.795	S	S	*	*			trans	-85.5	156.9	164.7	54.5	0	0	0	0	113.9
560	S	33.8	Very low	30.4	Very low	124 Å²	124	156.2 Å²	156.2	87%	0.867	80%	0.799	S	S	*	*			trans	-142.5	101.6	143.6	52.6	0	0	0	0	112.4
561	R	27.7	Very low	30.2	Very low	224 Å²	224	156 Å²	156	85%	0.845	80%	0.804	S	S	*	*			trans	-72.5	139.2	163	-95.9	-179.8	167.4	179.2	-3.9	109.2
562	L	31.7	Very low	30.1	Very low	151 Å²	151	157 Å²	157	79%	0.791	81%	0.81	S	S	*	*			trans	-156.2	108	145.1	-115.7	163.3	0	0	0	110.3	Y564	L562-Y564 HydrophobicContact CD2-CD2 3.89Å; L562-Y564 HydrophobicContact CD2-CE2 3.67Å
563	Q	27.9	Very low	29.8	Very low	156 Å²	156	160.4 Å²	160.4	73%	0.729	82%	0.818	S	S	*	*			trans	-77.9	136.7	167.1	-60.9	160.9	-93.9	0	0	108.2
564	Y	32.7	Very low	29.7	Very low	220 Å²	220	158.9 Å²	158.9	86%	0.863	82%	0.82	S	S	*	*			trans	-148.1	127.7	144.9	-91	-62.1	0	0	0	112.4	L562	L562-Y564 HydrophobicContact CD2-CD2 3.89Å; L562-Y564 HydrophobicContact CD2-CE2 3.67Å
565	T	27.9	Very low	29.5	Very low	136 Å²	136	163.7 Å²	163.7	83%	0.834	82%	0.818	S	S	*	*			trans	-78.1	133.3	168.8	47.2	0	0	0	0	111
566	C	28.6	Very low	29.4	Very low	127 Å²	127	163.1 Å²	163.1	86%	0.858	82%	0.818	S	S	*	*			trans	-158.3	148.8	135.3	-156.2	0	0	0	0	111.9
567	K	26.6	Very low	29.3	Very low	202 Å²	202	167.7 Å²	167.7	88%	0.878	83%	0.828	S	S	*	*			trans	-139.6	143.6	170.5	-177.2	175.8	-177.1	175.6	0	106.3
568	R	26.9	Very low	29.1	Very low	227 Å²	227	169.1 Å²	169.1	86%	0.857	84%	0.836	S	S	*	*			trans	100.2	141.9	174.7	-154.5	180	-155.7	151.5	5	115.6
569	N	26.4	Very low	28.9	Very low	143 Å²	143	171 Å²	171	77%	0.765	84%	0.838	S	S	*	*			trans	61.6	122.5	-178.5	-59.2	-4	0	0	0	114.3
570	I	31.2	Very low	29	Very low	140 Å²	140	170.7 Å²	170.7	72%	0.718	84%	0.836	S	S	*	*				-156.6	130.7	65.9	-84.3	158.3	0	0	0	110.5	E572	I570-E572 HydrophobicContact CG2-CB 3.81Å; I570-E572 PolarHBondContact O-N 2.63Å
571	T	27.9	Very low	28.8	Very low	151 Å²	151	171.6 Å²	171.6	93%	0.926	83%	0.83	S	S	*	*			trans	-91.1	68.8	167	45.3	0	0	0	0	110.7
572	E	28.1	Very low	29.1	Very low	160 Å²	160	166.8 Å²	166.8	75%	0.748	83%	0.828	S	S	*	*			trans	-164.2	76.4	178	-130.9	176.2	-161.6	0	0	114.2	I570	I570-E572 HydrophobicContact CG2-CB 3.81Å; I570-E572 PolarHBondContact O-N 2.63Å
573	Q	27.3	Very low	29	Very low	197 Å²	197	170 Å²	170	92%	0.921	83%	0.829	S	S	*	*			trans	-162.7	64.5	163.6	-120.8	156.7	87.4	0	0	114.5
574	S	30.2	Very low	29.2	Very low	127 Å²	127	173 Å²	173	89%	0.888	84%	0.84	S	S	*	*			trans	-127.6	39.6	171.4	56.4	0	0	0	0	112.9
575	K	27.3	Very low	29.1	Very low	181 Å²	181	170.1 Å²	170.1	79%	0.787	84%	0.835	S	S	*	*			trans	-113.9	159	163.7	-71.9	173.5	-179.5	166.8	0	108.4
576	Y	28.3	Very low	29.4	Very low	228 Å²	228	171.8 Å²	171.8	89%	0.894	84%	0.837	S	S	*	*	S	Bend	trans	74.6	58.9	-173.5	-53.3	-79.2	0	0	0	117.4
577	F	30	Very low	29.4	Very low	207 Å²	207	170.5 Å²	170.5	91%	0.908	83%	0.83	S	S	*	*			trans	-159.4	81.8	136.5	-131	-89.1	0	0	0	111.6
578	N	27.1	Very low	29.7	Very low	164 Å²	164	166 Å²	166	88%	0.877	82%	0.824	S	S	*	*			trans	-155.9	84.4	173.3	-139.9	-19.7	0	0	0	114.6
579	K	29.7	Very low	29.9	Very low	195 Å²	195	160.7 Å²	160.7	85%	0.848	82%	0.822	S	S	*	*			trans	-167.9	133.6	162.4	-109.3	177.1	179.9	179.1	0	104.7
580	T	32.4	Very low	30	Very low	124 Å²	124	157.4 Å²	157.4	76%	0.761	82%	0.821	S	S	*	*			cis	-148.7	142.5	24.6	-60.6	0	0	0	0	110.7
581	I	29.6	Very low	30.1	Very low	144 Å²	144	159.5 Å²	159.5	74%	0.738	83%	0.828	S	S	*	*			trans	-136.7	129.9	169.2	-59.3	175.1	0	0	0	109
582	P	33.9	Very low	30.3	Very low	122 Å²	122	157.2 Å²	157.2	79%	0.792	82%	0.818	S	S	*	*			trans	-89.4	130.2	163.8	33.1	-28.6	0	0	0	111.2
583	R	29.3	Very low	30.7	Very low	219 Å²	219	154.5 Å²	154.5	83%	0.826	81%	0.814	S	S	*	*			trans	-109.3	154.1	167.8	-79.5	-175.9	174	176	-1.8	110.1
584	F	32.8	Very low	30.9	Very low	218 Å²	218	152.1 Å²	152.1	96%	0.956	81%	0.807	S	S	*	*			trans	-101.8	157.4	156.5	-98.1	-88.4	0	0	0	111.2
585	H	30	Very low	31.1	Very low	161 Å²	161	152.4 Å²	152.4	75%	0.745	80%	0.799	S	S	*	*			trans	-103.7	159.8	-161.2	-85	-118.4	0	0	0	114.8
586	L	33.1	Very low	31.3	Very low	170 Å²	170	148.3 Å²	148.3	89%	0.89	79%	0.793	S	S	*	*				-175.4	155.4	128.3	-117.4	80.2	0	0	0	108.9
587	S	29.8	Very low	31.4	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	78%	0.783	S	S	*	*				-169.3	124.1	-60.9	52.5	0	0	0	0	111.1
588	S	31.8	Very low	31.3	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	78%	0.779	S	S	*	*			trans	171.3	110.6	164.9	176.3	0	0	0	0	107.9
589	S	31.1	Very low	31.4	Very low	116 Å²	116	137.1 Å²	137.1	81%	0.811	77%	0.773	S	S	*	*				72.9	129.8	63.8	70	0	0	0	0	114.7
590	G	29.7	Very low	31.4	Very low	73 Å²	73	132.4 Å²	132.4	75%	0.753	77%	0.765	S	S	*	*			cis	-128.3	-158.4	-9.9	0	0	0	0	0	110.7
591	E	32.5	Very low	31.4	Very low	185 Å²	185	131.4 Å²	131.4	86%	0.864	76%	0.763	S	S	*	*			cis	-146.5	135.2	5.8	-67.5	170.3	107	0	0	107.1
592	S	33.3	Very low	31.7	Very low	103 Å²	103	130.4 Å²	130.4	72%	0.72	77%	0.769	S	S	*	*				76.7	148	78.6	111.7	0	0	0	0	115.4
593	P	36.3	Very low	31.9	Very low	102 Å²	102	130.1 Å²	130.1	66%	0.662	77%	0.77	S	S	*	*			cis	-143.6	-170.4	-24.3	38.2	-17.5	0	0	0	115
594	L	31.8	Very low	32.7	Very low	148 Å²	148	125.4 Å²	125.4	78%	0.775	77%	0.767	S	S	*	*			trans	74.5	142.9	164.3	-55.6	165.1	0	0	0	117.2
595	D	33.1	Very low	33.2	Very low	132 Å²	132	120.2 Å²	120.2	71%	0.706	76%	0.756	S	S	*	*			cis	-150.5	172.8	2.4	-136.4	-30.4	0	0	0	114.7
596	S	31.1	Very low	34	Very low	95 Å²	95	118.1 Å²	118.1	66%	0.664	76%	0.757	S	S	*	*			trans	4.5	149.9	159.4	63.6	0	0	0	0	122.4
597	S	30.9	Very low	34.1	Very low	99 Å²	99	116.3 Å²	116.3	69%	0.692	75%	0.753	S	S	*	*			cis	-178.9	151	-6.5	52	0	0	0	0	113.5
598	L	28.2	Very low	34.6	Very low	155 Å²	155	117.2 Å²	117.2	81%	0.812	76%	0.756	S	S	*	*			trans	53.9	143.4	148.1	-89.3	78	0	0	0	124
599	S	28.8	Very low	34.5	Very low	110 Å²	110	118.2 Å²	118.2	77%	0.769	76%	0.758	S	S	*	*			trans	68.8	152.8	145.5	59.3	0	0	0	0	120.2
600	S	29.6	Very low	35	Very low	97 Å²	97	117.6 Å²	117.6	68%	0.678	75%	0.751	S	S	*	*			cis	-168	152.7	-14.6	45.4	0	0	0	0	113.3
601	S	31.9	Very low	35.1	Very low	102 Å²	102	119.3 Å²	119.3	71%	0.713	75%	0.752	S	S	*	*			trans	45.5	135.3	142.9	65.4	0	0	0	0	123.6
602	S	37.5	Very low	35.1	Very low	123 Å²	123	115.5 Å²	115.5	86%	0.86	75%	0.746	S	S	*	*				-162.5	145.7	124.8	10.4	0	0	0	0	112.8
603	S	38.2	Very low	35.3	Very low	116 Å²	116	116.6 Å²	116.6	81%	0.811	75%	0.753	S	S	*	*			trans	-108.7	-162.9	176.5	-40.9	0	0	0	0	109.7
604	P	44.6	Very low	35.5	Very low	120 Å²	120	116.9 Å²	116.9	78%	0.779	76%	0.758	S	S	*	*			cis	-146.2	-144.3	44.7	34.2	-5.7	0	0	0	113.9
605	P	44.9	Very low	36.1	Very low	109 Å²	109	114.8 Å²	114.8	71%	0.708	75%	0.753	S	S	*	*				-124.4	-161.6	-82.8	41.3	-24.5	0	0	0	113
606	P	46.1	Very low	36.4	Very low	118 Å²	118	113.8 Å²	113.8	77%	0.766	76%	0.756	S	S	*	*			cis	-127.4	-176.9	-25.9	20.4	4.8	0	0	0	115.8
607	T	35.5	Very low	36.9	Very low	132 Å²	132	114.6 Å²	114.6	81%	0.81	76%	0.762	S	S	*	*			trans	-63.5	-177	170.2	24.3	0	0	0	0	116.5
608	P	38.9	Very low	37.4	Very low	119 Å²	119	115 Å²	115	77%	0.773	77%	0.765	S	S	*	*			cis	-138.7	-174.3	10.8	42.6	-22.9	0	0	0	118.3
609	T	30.9	Very low	38	Very low	129 Å²	129	112.5 Å²	112.5	79%	0.791	76%	0.76	S	S	*	*			trans	-97.9	-167.5	162.5	56.5	0	0	0	0	110.2
610	P	40.6	Very low	38.6	Very low	103 Å²	103	112.1 Å²	112.1	67%	0.669	76%	0.758	S	S	*	*			cis	-135.6	-172.2	-6.5	44.1	-27	0	0	0	115.6
611	S	32.5	Very low	39.2	Very low	109 Å²	109	112.5 Å²	112.5	76%	0.762	76%	0.76	S	S	*	*			trans	65.9	162.1	155.7	73.1	0	0	0	0	118.9
612	S	33.6	Very low	39.6	Very low	105 Å²	105	114.1 Å²	114.1	73%	0.734	76%	0.761	S	S	*	*			cis	-172	128.2	-34.9	55.2	0	0	0	0	110.8
613	S	37	Very low	39.7	Very low	126 Å²	126	118 Å²	118	88%	0.881	76%	0.756	S	S	*	*			trans	-170.7	141.7	150.3	38.9	0	0	0	0	114.8
614	S	39.1	Very low	39.8	Very low	108 Å²	108	117 Å²	117	76%	0.755	74%	0.742	S	S	*	*			trans	-79.5	-171.2	171.1	55.7	0	0	0	0	111.4
615	P	44.5	Very low	39.5	Very low	104 Å²	104	116.2 Å²	116.2	68%	0.675	74%	0.735	S	S	*	*			cis	-142.8	-178.6	7.2	42.4	-23.2	0	0	0	118.1
616	S	40.5	Very low	39	Very low	111 Å²	111	118.3 Å²	118.3	78%	0.776	74%	0.739	S	S	*	*			trans	69.8	153	149.2	70.1	0	0	0	0	119.6
617	S	40.7	Very low	38.6	Very low	112 Å²	112	121 Å²	121	78%	0.783	74%	0.739	S	S	*	*			cis	-171.2	173.8	-26.4	66.6	0	0	0	0	107.3
618	S	41.1	Very low	38.7	Very low	108 Å²	108	119.7 Å²	119.7	76%	0.755	74%	0.735	S	S	*	*			cis	-144.8	-151.3	0.1	53.5	0	0	0	0	106.5
619	S	41.1	Very low	38.5	Very low	101 Å²	101	119 Å²	119	71%	0.706	73%	0.733	S	S	*	*			cis	-168.6	156	-2.5	44.7	0	0	0	0	106.5
620	S	42.2	Very low	39.4	Very low	103 Å²	103	117.9 Å²	117.9	72%	0.72	73%	0.728	S	S	*	*			cis	-171.8	-166.7	-17.5	61.2	0	0	0	0	107.2
621	S	41.8	Very low	39.2	Very low	105 Å²	105	120.2 Å²	120.2	73%	0.734	74%	0.735	S	S	*	*			trans	69.6	167.5	174.4	91.4	0	0	0	0	114.6
622	N	39.9	Very low	39.3	Very low	136 Å²	136	125.8 Å²	125.8	73%	0.727	74%	0.739	S	S	*	*			cis	-164.6	164.5	-20.8	-109.6	10.2	0	0	0	107.3
623	R	40.5	Very low	39.5	Very low	203 Å²	203	127.2 Å²	127.2	77%	0.766	74%	0.737	S	S	*	*			cis	-177.2	153.5	-30.5	-109.3	-164	123.1	139	11.9	107.6
624	D	39.5	Very low	39.3	Very low	95 Å²	95	127 Å²	127	51%	0.508	74%	0.736	S	S	.	*			cis	-163.3	159.7	-15.5	-147.2	-9.7	0	0	0	111.8
625	T	38.9	Very low	39.2	Very low	104 Å²	104	125.7 Å²	125.7	64%	0.638	74%	0.74	S	S	*	*			trans	59.7	144.5	155.8	51.3	0	0	0	0	122.5
626	I	35	Very low	38.9	Very low	153 Å²	153	128.2 Å²	128.2	79%	0.785	75%	0.747	S	S	*	*			cis	89.8	130.9	22.4	-62.2	168.2	0	0	0	112.6
627	F	36.5	Very low	39.2	Very low	174 Å²	174	127.5 Å²	127.5	76%	0.763	74%	0.74	S	S	*	*			cis	-157.3	168.9	14.6	-164.9	-123.5	0	0	0	113.5
628	S	38.2	Very low	38.9	Very low	106 Å²	106	129.2 Å²	129.2	74%	0.741	74%	0.74	S	S	*	*			trans	148.8	159.6	134.9	-65.7	0	0	0	0	117.5
629	S	34.4	Very low	38.8	Very low	103 Å²	103	130 Å²	130	72%	0.72	75%	0.746	S	S	*	*			trans	-136.6	-163.6	-169.5	-59	0	0	0	0	112.6
630	P	50.5	Low	38.7	Very low	107 Å²	107	131.6 Å²	131.6	70%	0.695	75%	0.752	S	S	*	*				-130.1	180	-71.4	39.7	-23.9	0	0	0	116.2
631	N	35.3	Very low	38.6	Very low	151 Å²	151	131.6 Å²	131.6	81%	0.807	75%	0.751	S	S	*	*			trans	64.2	113.7	154.9	-74.3	-17.7	0	0	0	122.5
632	R	35.7	Very low	38.5	Very low	227 Å²	227	132.7 Å²	132.7	86%	0.857	76%	0.756	S	S	*	*				175.2	130.9	107.7	-99.4	-171.3	172.8	-166.8	-0.7	116.2
633	I	36.6	Very low	38.5	Very low	134 Å²	134	133.6 Å²	133.6	69%	0.687	76%	0.76	S	S	*	*			trans	54.5	116.8	131.7	-60.1	173.3	0	0	0	121.1
634	S	34.3	Very low	38.7	Very low	123 Å²	123	133 Å²	133	86%	0.86	76%	0.763	S	S	*	*			trans	50.9	124.9	144.9	-54.9	0	0	0	0	122.9
635	G	36.1	Very low	38.8	Very low	80 Å²	80	136.7 Å²	136.7	83%	0.825	78%	0.777	S	S	*	*			trans	-177.6	114.7	160.2	0	0	0	0	0	110
636	D	39.1	Very low	39.1	Very low	157 Å²	157	137.8 Å²	137.8	84%	0.84	78%	0.779	S	S	*	*			trans	-96.9	-174.5	-172.9	-140.3	0.2	0	0	0	111.2
637	P	45	Very low	39.9	Very low	95 Å²	95	133.8 Å²	133.8	62%	0.617	77%	0.765	S	S	*	*				-117.3	-164.5	-117	40.3	-24.4	0	0	0	114.6
638	N	35.6	Very low	40.9	Very low	148 Å²	148	130.1 Å²	130.1	79%	0.791	75%	0.753	S	S	*	*			trans	99.9	94.2	169.4	-54.6	-46.1	0	0	0	117.8
639	S	39.4	Very low	42.1	Very low	124 Å²	124	129.7 Å²	129.7	87%	0.867	74%	0.742	S	S	*	*				-151.8	146.9	113.7	59	0	0	0	0	110
640	T	37.9	Very low	44	Very low	136 Å²	136	131.1 Å²	131.1	83%	0.834	74%	0.736	S	S	*	*			trans	-112.6	128.7	-167.4	-51.3	0	0	0	0	111.2
641	S	39.7	Very low	45.1	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	72%	0.721	S	S	*	*			trans	-139.5	129.7	169.3	57	0	0	0	0	112	L643	S641-L643 PolarHBondContact O-N 2.67Å
642	P	40.4	Very low	47.1	Very low	129 Å²	129	126.1 Å²	126.1	84%	0.838	70%	0.702	S	S	*	*			trans	-95.8	79.2	-164.1	36.8	-36.5	0	0	0	113.8
643	L	40	Very low	49.1	Very low	155 Å²	155	119.8 Å²	119.8	81%	0.812	69%	0.685	S	S	*	*			trans	-123.1	-14.9	173.4	-73.8	172.6	0	0	0	115.4	S641 Q645	S641-L643 PolarHBondContact O-N 2.67Å; L643-Q645 PolarHBondContact O-N 3.23Å
644	K	44.6	Very low	51.3	Low	191 Å²	191	117.9 Å²	117.9	83%	0.83	68%	0.676	S	S	*	*	H	α-helix	trans	-78.7	-6.7	-173.2	-95.7	-176.6	175.1	178.4	0	116.8
645	Q	42	Very low	53.5	Low	172 Å²	172	117.6 Å²	117.6	80%	0.804	66%	0.664	S	S	*	*	H	α-helix	trans	-83.4	-25	-179.5	-90.5	179.1	-26.6	0	0	114.5	L643	L643-Q645 PolarHBondContact O-N 3.23Å
646	N	45.5	Very low	55.6	Low	127 Å²	127	119.8 Å²	119.8	68%	0.679	65%	0.651	S	S	*	*	H	α-helix	trans	-82.9	-32.3	-172.5	-146.9	21	0	0	0	113.5	N648 N649 F650	N646-N648 PolarHBondContact O-N 2.8Å; N646-N649 PolarHBondContact O-N 3.19Å; N646-F650 PolarHBondContact O-N 3.38Å
647	S	51.3	Low	57.8	Low	69 Å²	69	117.3 Å²	117.3	48%	0.483	64%	0.637	S	S	.	*	H	α-helix	trans	-57.6	-50.5	176	-165.5	0	0	0	0	111.3	N649 F650 D651	S647-N649 PolarHBondContact O-N 2.86Å; S647-N649 VanDerWaalsContact O-N 3.13Å; S647-F650 WeakPolarHBondContact O-CA 3.49Å; S647-F650 WeakPolarHBondContact O-CB 3.47Å; S647-F650 PolarHBondContact O-N 3.3Å; S647-D651 PolarHBondContact O-N 2.84Å; S647-D651 VanDerWaalsContact O-OD2 3.06Å; S647-D651 PolarHBondContact OG-OD2 3.24Å
648	N	56.8	Low	59.7	Low	97 Å²	97	119.7 Å²	119.7	52%	0.519	64%	0.637	S	S	.	*	H	α-helix	trans	-56.5	-35.3	-177.4	-61.5	4.8	0	0	0	112.5	N646 I652	N646-N648 PolarHBondContact O-N 2.8Å; N648-I652 WeakPolarHBondContact O-CB 3.39Å; N648-I652 WeakPolarHBondContact O-CD1 3.3Å; N648-I652 WeakPolarHBondContact O-CG1 3.34Å; N648-I652 PolarHBondContact O-N 3.29Å
649	N	64.7	Low	62	Low	96 Å²	96	118.5 Å²	118.5	51%	0.513	63%	0.627	S	S	.	*	H	α-helix	trans	-68.6	-41.3	175.1	-83.7	-20.2	0	0	0	112.1	N646 S647 I652 I653	N646-N649 PolarHBondContact O-N 3.19Å; S647-N649 PolarHBondContact O-N 2.86Å; S647-N649 VanDerWaalsContact O-N 3.13Å; N649-I652 PolarHBondContact O-N 3.09Å; N649-I653 WeakPolarHBondContact O-CD1 3.39Å; N649-I653 VanDerWaalsContact O-CG1 3.24Å; N649-I653 WeakPolarHBondContact O-CG1 3.43Å; N649-I653 PolarHBondContact O-N 3.32Å
650	F	72.9	Confident	64.2	Low	134 Å²	134	117.3 Å²	117.3	59%	0.588	61%	0.61	S	S	*	*	H	α-helix	trans	-63.9	-44.7	176	-171.4	-96.4	0	0	0	111.5	N646 S647 I652 I653 L654	N646-F650 PolarHBondContact O-N 3.38Å; S647-F650 WeakPolarHBondContact O-CA 3.49Å; S647-F650 WeakPolarHBondContact O-CB 3.47Å; S647-F650 PolarHBondContact O-N 3.3Å; F650-I652 PolarHBondContact O-N 2.82Å; F650-I653 PolarHBondContact O-N 3.38Å; F650-I653 VanDerWaalsContact O-N 3.16Å; F650-L654 WeakPolarHBondContact O-CB 3.11Å; F650-L654 PolarHBondContact O-N 2.95Å
651	D	74.1	Confident	66.3	Low	72 Å²	72	114.2 Å²	114.2	39%	0.385	59%	0.594	S	S	.	*	H	α-helix	trans	-62.8	-40.2	177	-64.9	-51.3	0	0	0	112.1	S647 L654 L655	S647-D651 PolarHBondContact O-N 2.84Å; S647-D651 VanDerWaalsContact O-OD2 3.06Å; S647-D651 PolarHBondContact OG-OD2 3.24Å; D651-L654 PolarHBondContact O-N 2.95Å; D651-L655 WeakPolarHBondContact O-CB 3.44Å; D651-L655 VanDerWaalsContact O-CG 3.3Å; D651-L655 WeakPolarHBondContact O-CG 2.97Å; D651-L655 PolarHBondContact O-N 3.2Å
652	I	76.4	Confident	68.4	Low	80 Å²	80	114.3 Å²	114.3	41%	0.41	59%	0.586	S	S	.	*	H	α-helix	trans	-65	-38	173.6	-72.8	166.4	0	0	0	111.7	N648 N649 F650 K656	N648-I652 WeakPolarHBondContact O-CB 3.39Å; N648-I652 WeakPolarHBondContact O-CD1 3.3Å; N648-I652 WeakPolarHBondContact O-CG1 3.34Å; N648-I652 PolarHBondContact O-N 3.29Å; N649-I652 PolarHBondContact O-N 3.09Å; F650-I652 PolarHBondContact O-N 2.82Å; I652-K656 HydrophobicContact CG2-CD 4.3Å; I652-K656 WeakPolarHBondContact O-CB 3.45Å; I652-K656 WeakPolarHBondContact O-CG 3.46Å; I652-K656 PolarHBondContact O-N 3.4Å
653	I	79.6	Confident	70.5	Confident	94 Å²	94	113 Å²	113	48%	0.482	57%	0.569	S	S	.	*	H	α-helix	trans	-67.1	-44.4	175	-71	163.4	0	0	0	110.3	N649 F650 L655 K656 L657	N649-I653 WeakPolarHBondContact O-CD1 3.39Å; N649-I653 VanDerWaalsContact O-CG1 3.24Å; N649-I653 WeakPolarHBondContact O-CG1 3.43Å; N649-I653 PolarHBondContact O-N 3.32Å; F650-I653 PolarHBondContact O-N 3.38Å; F650-I653 VanDerWaalsContact O-N 3.16Å; I653-L655 PolarHBondContact O-N 2.85Å; I653-K656 PolarHBondContact O-N 3.08Å; I653-L657 HydrophobicContact CG2-CD1 4Å; I653-L657 HydrophobicContact CG2-CG 4.42Å; I653-L657 WeakPolarHBondContact O-CG 3.49Å; I653-L657 PolarHBondContact O-N 3.12Å
654	L	81.1	Confident	72.6	Confident	95 Å²	95	110.5 Å²	110.5	50%	0.497	56%	0.556	S	S	.	*	H	α-helix	trans	-62.5	-41.8	178.3	-165.8	74.8	0	0	0	111.7	F650 D651 L657 K658	F650-L654 WeakPolarHBondContact O-CB 3.11Å; F650-L654 PolarHBondContact O-N 2.95Å; D651-L654 PolarHBondContact O-N 2.95Å; L654-L657 PolarHBondContact O-N 3.19Å; L654-K658 WeakPolarHBondContact O-CB 3.37Å; L654-K658 PolarHBondContact O-N 2.92Å
655	L	80.4	Confident	74.5	Confident	117 Å²	117	108.3 Å²	108.3	61%	0.613	55%	0.546	S	S	*	.	H	α-helix	trans	-62.8	-43.5	173.9	-75.2	168.6	0	0	0	112	D651 I653 K658 Q659	D651-L655 WeakPolarHBondContact O-CB 3.44Å; D651-L655 VanDerWaalsContact O-CG 3.3Å; D651-L655 WeakPolarHBondContact O-CG 2.97Å; D651-L655 PolarHBondContact O-N 3.2Å; I653-L655 PolarHBondContact O-N 2.85Å; L655-K658 PolarHBondContact O-N 3.22Å; L655-Q659 PolarHBondContact O-N 3.06Å
656	K	81.4	Confident	76.6	Confident	126 Å²	126	107.6 Å²	107.6	55%	0.548	54%	0.541	S	S	.	.	H	α-helix	trans	-62.4	-43.6	174.8	-76.4	174.6	178.6	180	0	112.2	I652 I653 K658 Q659 I660	I652-K656 HydrophobicContact CG2-CD 4.3Å; I652-K656 WeakPolarHBondContact O-CB 3.45Å; I652-K656 WeakPolarHBondContact O-CG 3.46Å; I652-K656 PolarHBondContact O-N 3.4Å; I653-K656 PolarHBondContact O-N 3.08Å; K656-K658 VanDerWaalsContact C-N 3.35Å; K656-K658 PolarHBondContact O-N 3.48Å; K656-Q659 PolarHBondContact O-N 3.47Å; K656-I660 WeakPolarHBondContact O-CD1 3.32Å; K656-I660 VanDerWaalsContact O-CG1 3.28Å; K656-I660 WeakPolarHBondContact O-CG1 3.45Å; K656-I660 PolarHBondContact O-N 3.09Å
657	L	84.8	Confident	78.4	Confident	104 Å²	104	105.8 Å²	105.8	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-62.6	-40.6	175.3	-71.9	171.7	0	0	0	111.8	I653 L654 I660 S661	I653-L657 HydrophobicContact CG2-CD1 4Å; I653-L657 HydrophobicContact CG2-CG 4.42Å; I653-L657 WeakPolarHBondContact O-CG 3.49Å; I653-L657 PolarHBondContact O-N 3.12Å; L654-L657 PolarHBondContact O-N 3.19Å; L657-I660 PolarHBondContact O-N 3.47Å; L657-S661 WeakPolarHBondContact O-CB 3.21Å; L657-S661 PolarHBondContact O-N 2.84Å
658	K	84.1	Confident	79.9	Confident	146 Å²	146	106.6 Å²	106.6	64%	0.635	53%	0.532	S	S	*	.	H	α-helix	trans	-66.1	-37.1	176.2	-165.3	172	-174.4	175.5	0	112.2	L654 L655 K656 N662	L654-K658 WeakPolarHBondContact O-CB 3.37Å; L654-K658 PolarHBondContact O-N 2.92Å; L655-K658 PolarHBondContact O-N 3.22Å; K656-K658 VanDerWaalsContact C-N 3.35Å; K656-K658 PolarHBondContact O-N 3.48Å; K658-N662 PolarHBondContact O-N 2.86Å; K658-N662 VanDerWaalsContact O-N 3.12Å
659	Q	85.7	Confident	81.1	Confident	123 Å²	123	104.8 Å²	104.8	58%	0.575	53%	0.527	S	S	*	.	H	α-helix	trans	-65.6	-49.2	172.5	-173.1	175	0.8	0	0	111.4	L655 K656 S661 N662 E663	L655-Q659 PolarHBondContact O-N 3.06Å; K656-Q659 PolarHBondContact O-N 3.47Å; Q659-S661 VanDerWaalsContact C-N 3.28Å; Q659-S661 PolarHBondContact O-N 3.37Å; Q659-N662 PolarHBondContact O-N 2.88Å; Q659-N662 VanDerWaalsContact O-N 3.08Å; Q659-E663 PolarHBondContact O-N 2.88Å
660	I	85.3	Confident	82	Confident	99 Å²	99	101.7 Å²	101.7	51%	0.508	52%	0.518	S	S	.	.	H	α-helix	trans	-58.6	-39.6	176.9	-69.2	163.3	0	0	0	111.4	K656 L657 E663 L664	K656-I660 WeakPolarHBondContact O-CD1 3.32Å; K656-I660 VanDerWaalsContact O-CG1 3.28Å; K656-I660 WeakPolarHBondContact O-CG1 3.45Å; K656-I660 PolarHBondContact O-N 3.09Å; L657-I660 PolarHBondContact O-N 3.47Å; I660-E663 PolarHBondContact O-N 3.01Å; I660-L664 HydrophobicContact CG2-CD1 4.09Å; I660-L664 WeakPolarHBondContact O-CB 3.39Å; I660-L664 PolarHBondContact O-N 2.9Å
661	S	81.9	Confident	82.3	Confident	71 Å²	71	100.6 Å²	100.6	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-63.8	-38.5	175.3	-174.2	0	0	0	0	112.8	L657 Q659 K665	L657-S661 WeakPolarHBondContact O-CB 3.21Å; L657-S661 PolarHBondContact O-N 2.84Å; Q659-S661 VanDerWaalsContact C-N 3.28Å; Q659-S661 PolarHBondContact O-N 3.37Å; S661-K665 VanDerWaalsContact O-CB 3.3Å; S661-K665 WeakPolarHBondContact O-CB 3.39Å; S661-K665 PolarHBondContact O-N 2.86Å
662	N	84.3	Confident	82.8	Confident	103 Å²	103	101.9 Å²	101.9	55%	0.551	52%	0.52	S	S	*	.	H	α-helix	trans	-68.3	-43	175	-75.7	-15.3	0	0	0	112.2	K658 Q659 K665 F666	K658-N662 PolarHBondContact O-N 2.86Å; K658-N662 VanDerWaalsContact O-N 3.12Å; Q659-N662 PolarHBondContact O-N 2.88Å; Q659-N662 VanDerWaalsContact O-N 3.08Å; N662-K665 PolarHBondContact O-N 3.17Å; N662-F666 PolarHBondContact O-N 2.87Å
663	E	83.3	Confident	83.1	Confident	101 Å²	101	102.2 Å²	102.2	47%	0.472	52%	0.522	S	S	.	.	H	α-helix	trans	-61.8	-46.3	174.8	-66	-61.3	159.4	0	0	111.4	Q659 I660 K665 F666 I667	Q659-E663 PolarHBondContact O-N 2.88Å; I660-E663 PolarHBondContact O-N 3.01Å; E663-K665 VanDerWaalsContact C-N 3.31Å; E663-K665 PolarHBondContact O-N 3.48Å; E663-F666 PolarHBondContact O-N 2.88Å; E663-I667 WeakPolarHBondContact O-CB 3.49Å; E663-I667 VanDerWaalsContact O-CG1 3.29Å; E663-I667 WeakPolarHBondContact O-CG1 3.42Å; E663-I667 PolarHBondContact O-N 3.09Å
664	L	83.6	Confident	83	Confident	103 Å²	103	103.9 Å²	103.9	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-59.5	-40.6	174.3	-90.1	164.8	0	0	0	112.1	I660 T668	I660-L664 HydrophobicContact CG2-CD1 4.09Å; I660-L664 WeakPolarHBondContact O-CB 3.39Å; I660-L664 PolarHBondContact O-N 2.9Å; L664-T668 VanDerWaalsContact O-CB 3.26Å; L664-T668 WeakPolarHBondContact O-CB 3.4Å; L664-T668 PolarHBondContact O-N 3.11Å; L664-T668 PolarHBondContact O-OG1 2.99Å
665	K	85.2	Confident	82.9	Confident	146 Å²	146	103.6 Å²	103.6	64%	0.635	53%	0.525	S	S	*	.	H	α-helix	trans	-67	-39.2	176.8	-171.8	173.1	-178.1	177.4	0	112.1	S661 N662 E663 S669	S661-K665 VanDerWaalsContact O-CB 3.3Å; S661-K665 WeakPolarHBondContact O-CB 3.39Å; S661-K665 PolarHBondContact O-N 2.86Å; N662-K665 PolarHBondContact O-N 3.17Å; E663-K665 VanDerWaalsContact C-N 3.31Å; E663-K665 PolarHBondContact O-N 3.48Å; K665-S669 WeakPolarHBondContact O-CB 3.45Å; K665-S669 PolarHBondContact O-N 2.65Å; K665-S669 PolarHBondContact O-OG 2.82Å
666	F	86.3	Confident	82.8	Confident	156 Å²	156	103.2 Å²	103.2	68%	0.684	52%	0.518	S	S	*	.	H	α-helix	trans	-63.9	-49.4	173.4	-179.4	-104.6	0	0	0	111.8	N662 E663 T668 S669 G670	N662-F666 PolarHBondContact O-N 2.87Å; E663-F666 PolarHBondContact O-N 2.88Å; F666-T668 PolarHBondContact O-N 3.21Å; F666-S669 PolarHBondContact O-N 2.77Å; F666-G670 PolarHBondContact O-N 2.98Å
667	I	84.1	Confident	82.5	Confident	90 Å²	90	102.7 Å²	102.7	46%	0.462	52%	0.518	S	S	.	.	H	α-helix	trans	-60	-45.7	176.9	-67.2	164.5	0	0	0	111	E663 S669 G670 M671	E663-I667 WeakPolarHBondContact O-CB 3.49Å; E663-I667 VanDerWaalsContact O-CG1 3.29Å; E663-I667 WeakPolarHBondContact O-CG1 3.42Å; E663-I667 PolarHBondContact O-N 3.09Å; I667-S669 VanDerWaalsContact C-N 3.32Å; I667-S669 PolarHBondContact O-N 2.84Å; I667-G670 PolarHBondContact O-N 3.47Å; I667-M671 HydrophobicContact CG2-SD 4.36Å; I667-M671 WeakPolarHBondContact O-CG 3.17Å; I667-M671 PolarHBondContact O-N 3.11Å
668	T	82.5	Confident	82.2	Confident	85 Å²	85	102.4 Å²	102.4	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-62.2	-39.8	178.1	-56.8	0	0	0	0	111.4	L664 F666 M671 H672	L664-T668 VanDerWaalsContact O-CB 3.26Å; L664-T668 WeakPolarHBondContact O-CB 3.4Å; L664-T668 PolarHBondContact O-N 3.11Å; L664-T668 PolarHBondContact O-OG1 2.99Å; F666-T668 PolarHBondContact O-N 3.21Å; T668-M671 PolarHBondContact O-N 3.36Å; T668-H672 WeakPolarHBondContact O-CB 3.34Å; T668-H672 PolarHBondContact O-N 3.45Å
669	S	82.4	Confident	81.8	Confident	59 Å²	59	99.6 Å²	99.6	41%	0.413	50%	0.504	S	S	.	.	H	α-helix	trans	-67	-39.9	175.9	-54.9	0	0	0	0	111.5	K665 F666 I667 H672 N673	K665-S669 WeakPolarHBondContact O-CB 3.45Å; K665-S669 PolarHBondContact O-N 2.65Å; K665-S669 PolarHBondContact O-OG 2.82Å; F666-S669 PolarHBondContact O-N 2.77Å; I667-S669 VanDerWaalsContact C-N 3.32Å; I667-S669 PolarHBondContact O-N 2.84Å; S669-H672 PolarHBondContact O-N 2.9Å; S669-N673 WeakPolarHBondContact O-CB 3.36Å; S669-N673 PolarHBondContact O-N 3.05Å
670	G	82.6	Confident	81.3	Confident	32 Å²	32	95 Å²	95	33%	0.33	49%	0.485	S	S	.	.	H	α-helix	trans	-67.9	-32.2	175.1	0	0	0	0	0	114.1	F666 I667 K674	F666-G670 PolarHBondContact O-N 2.98Å; I667-G670 PolarHBondContact O-N 3.47Å; G670-K674 WeakPolarHBondContact O-CD 3.35Å; G670-K674 VanDerWaalsContact O-CG 3.31Å; G670-K674 WeakPolarHBondContact O-CG 3.34Å; G670-K674 PolarHBondContact O-N 3.17Å
671	M	79.9	Confident	80.8	Confident	111 Å²	111	90.9 Å²	90.9	55%	0.547	46%	0.464	S	S	.	.	H	α-helix	trans	-68.6	-51.6	170	-72.2	-178.9	65.2	0	0	110.6	I667 T668 N673 K674 D675	I667-M671 HydrophobicContact CG2-SD 4.36Å; I667-M671 WeakPolarHBondContact O-CG 3.17Å; I667-M671 PolarHBondContact O-N 3.11Å; T668-M671 PolarHBondContact O-N 3.36Å; M671-N673 VanDerWaalsContact C-N 3.27Å; M671-N673 PolarHBondContact O-N 2.87Å; M671-K674 WeakPolarHBondContact O-CA 3.44Å; M671-K674 WeakPolarHBondContact O-CB 3.37Å; M671-K674 PolarHBondContact O-N 2.83Å; M671-D675 VanDerWaalsContact O-CG 3.29Å; M671-D675 PolarHBondContact O-N 3.12Å
672	H	83.9	Confident	80.5	Confident	99 Å²	99	91.3 Å²	91.3	46%	0.458	46%	0.461	S	S	.	.	H	α-helix	trans	-60.9	-33	-178.4	-177.2	64.4	0	0	0	113.6	T668 S669 K676	T668-H672 WeakPolarHBondContact O-CB 3.34Å; T668-H672 PolarHBondContact O-N 3.45Å; S669-H672 PolarHBondContact O-N 2.9Å; H672-K676 VanDerWaalsContact NE2-CE 3.27Å; H672-K676 WeakPolarHBondContact NE2-CE 3.39Å; H672-K676 PolarHBondContact NE2-NZ 2.96Å; H672-K676 WeakPolarHBondContact O-CG 3.36Å; H672-K676 PolarHBondContact O-N 3.16Å; H672-K676 VanDerWaalsContact O-N 3.15Å
673	N	81.9	Confident	80.2	Confident	86 Å²	86	90.5 Å²	90.5	46%	0.46	45%	0.454	S	S	.	.	H	α-helix	trans	-69.8	-41	172.3	-74.7	2	0	0	0	112.2	S669 M671 K676 E677	S669-N673 WeakPolarHBondContact O-CB 3.36Å; S669-N673 PolarHBondContact O-N 3.05Å; M671-N673 VanDerWaalsContact C-N 3.27Å; M671-N673 PolarHBondContact O-N 2.87Å; N673-K676 WeakPolarHBondContact O-CB 3.33Å; N673-K676 PolarHBondContact O-N 2.8Å; N673-E677 WeakPolarHBondContact O-CG 3.36Å; N673-E677 PolarHBondContact O-N 3.24Å
674	K	77.5	Confident	80	Confident	130 Å²	130	86.9 Å²	86.9	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-64.7	-39.1	173.9	-73.1	171.1	-179.4	177.8	0	112.4	G670 M671 K676 E677 I678	G670-K674 WeakPolarHBondContact O-CD 3.35Å; G670-K674 VanDerWaalsContact O-CG 3.31Å; G670-K674 WeakPolarHBondContact O-CG 3.34Å; G670-K674 PolarHBondContact O-N 3.17Å; M671-K674 WeakPolarHBondContact O-CA 3.44Å; M671-K674 WeakPolarHBondContact O-CB 3.37Å; M671-K674 PolarHBondContact O-N 2.83Å; K674-K676 VanDerWaalsContact C-N 3.26Å; K674-K676 PolarHBondContact O-N 2.9Å; K674-E677 PolarHBondContact O-N 2.91Å; K674-I678 WeakPolarHBondContact O-CB 3.39Å; K674-I678 WeakPolarHBondContact O-CD1 3.44Å; K674-I678 VanDerWaalsContact O-CG1 3.23Å; K674-I678 WeakPolarHBondContact O-CG1 3.42Å; K674-I678 PolarHBondContact O-N 2.87Å
675	D	80.5	Confident	79.7	Confident	89 Å²	89	86.6 Å²	86.6	48%	0.476	43%	0.428	S	S	.	.	H	α-helix	trans	-62	-37.5	175.6	-63.3	-30	0	0	0	110.9	M671 K679	M671-D675 VanDerWaalsContact O-CG 3.29Å; M671-D675 PolarHBondContact O-N 3.12Å; D675-K679 WeakPolarHBondContact O-CG 3.45Å; D675-K679 PolarHBondContact O-N 3.29Å
676	K	77.4	Confident	79.3	Confident	108 Å²	108	81.9 Å²	81.9	47%	0.47	41%	0.409	S	S	.	.	H	α-helix	trans	-66.2	-49.2	171.3	-79.5	167.9	163.3	164	0	112.7	H672 N673 K674 I678 K679 T680	H672-K676 VanDerWaalsContact NE2-CE 3.27Å; H672-K676 WeakPolarHBondContact NE2-CE 3.39Å; H672-K676 PolarHBondContact NE2-NZ 2.96Å; H672-K676 WeakPolarHBondContact O-CG 3.36Å; H672-K676 PolarHBondContact O-N 3.16Å; H672-K676 VanDerWaalsContact O-N 3.15Å; N673-K676 WeakPolarHBondContact O-CB 3.33Å; N673-K676 PolarHBondContact O-N 2.8Å; K674-K676 VanDerWaalsContact C-N 3.26Å; K674-K676 PolarHBondContact O-N 2.9Å; K676-I678 PolarHBondContact O-N 3.07Å; K676-K679 PolarHBondContact O-N 3.39Å; K676-T680 PolarHBondContact O-N 3Å; K676-T680 PolarHBondContact O-OG1 3.31Å
677	E	76.1	Confident	79.1	Confident	116 Å²	116	74.5 Å²	74.5	54%	0.542	38%	0.377	S	S	.	.	H	α-helix	trans	-55.7	-40.5	175.9	-71.5	161.2	-164.8	0	0	111.5	N673 K674 S681	N673-E677 WeakPolarHBondContact O-CG 3.36Å; N673-E677 PolarHBondContact O-N 3.24Å; K674-E677 PolarHBondContact O-N 2.91Å; E677-S681 VanDerWaalsContact O-CB 3.31Å; E677-S681 WeakPolarHBondContact O-CB 3.2Å; E677-S681 PolarHBondContact O-N 3.29Å
678	I	76.8	Confident	78.9	Confident	98 Å²	98	70.3 Å²	70.3	50%	0.503	36%	0.356	S	S	.	.	H	α-helix	trans	-70	-43.1	176.6	-68.3	164.4	0	0	0	111.7	K674 K676 S681 N682	K674-I678 WeakPolarHBondContact O-CB 3.39Å; K674-I678 WeakPolarHBondContact O-CD1 3.44Å; K674-I678 VanDerWaalsContact O-CG1 3.23Å; K674-I678 WeakPolarHBondContact O-CG1 3.42Å; K674-I678 PolarHBondContact O-N 2.87Å; K676-I678 PolarHBondContact O-N 3.07Å; I678-S681 PolarHBondContact O-N 2.88Å; I678-N682 VanDerWaalsContact O-CG 3.31Å; I678-N682 PolarHBondContact O-N 3.21Å; I678-N682 PolarHBondContact O-ND2 2.74Å
679	K	77.2	Confident	78.7	Confident	87 Å²	87	72.1 Å²	72.1	38%	0.378	35%	0.353	S	S	.	.	H	α-helix	trans	-59.3	-51.5	174.3	-79.2	-161.4	175.6	-152.4	0	111	D373 S375 D675 K676 S681 N682 E683	D373-K679 IonicContact OD1-NZ 2.63Å; D373-K679 PolarHBondContact OD1-NZ 3.39Å; D373-K679 IonicContact OD2-NZ 2.71Å; D373-K679 PolarHBondContact OD2-NZ 3.28Å; S375-K679 PolarHBondContact OG-NZ 3.06Å; D675-K679 WeakPolarHBondContact O-CG 3.45Å; D675-K679 PolarHBondContact O-N 3.29Å; K676-K679 PolarHBondContact O-N 3.39Å; K679-S681 VanDerWaalsContact C-N 3.34Å; K679-S681 PolarHBondContact O-N 3.46Å; K679-N682 PolarHBondContact O-N 2.79Å; K679-E683 WeakPolarHBondContact O-CG 3.5Å; K679-E683 PolarHBondContact O-N 3.13Å
680	T	73.8	Confident	78.6	Confident	27 Å²	27	69.7 Å²	69.7	17%	0.166	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-34.2	178.2	-62.2	0	0	0	0	112.9	K676 N682 E683 W684	K676-T680 PolarHBondContact O-N 3Å; K676-T680 PolarHBondContact O-OG1 3.31Å; T680-N682 PolarHBondContact O-N 3.04Å; T680-E683 WeakPolarHBondContact CA-OE2 3.47Å; T680-E683 PolarHBondContact O-N 3.08Å; T680-E683 PolarHBondContact OG1-OE2 3.44Å; T680-W684 VanDerWaalsContact O-CD1 3.29Å; T680-W684 PolarHBondContact O-N 3.4Å
681	S	74.8	Confident	78.6	Confident	12 Å²	12	70 Å²	70	8%	0.084	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-43.2	170.1	-170	0	0	0	0	112.3	T343 E677 I678 K679 W684 R685	T343-S681 VanDerWaalsContact CG2-OG 3.26Å; T343-S681 WeakPolarHBondContact CG2-OG 3.39Å; T343-S681 PolarHBondContact OG1-OG 3.02Å; E677-S681 VanDerWaalsContact O-CB 3.31Å; E677-S681 WeakPolarHBondContact O-CB 3.2Å; E677-S681 PolarHBondContact O-N 3.29Å; I678-S681 PolarHBondContact O-N 2.88Å; K679-S681 VanDerWaalsContact C-N 3.34Å; K679-S681 PolarHBondContact O-N 3.46Å; S681-W684 PolarHBondContact O-N 3.17Å; S681-R685 WeakPolarHBondContact O-CB 3.47Å; S681-R685 WeakPolarHBondContact O-CD 3.47Å; S681-R685 WeakPolarHBondContact O-CG 3.26Å; S681-R685 PolarHBondContact O-N 3.21Å
682	N	77.3	Confident	78.9	Confident	80 Å²	80	65.3 Å²	65.3	43%	0.428	31%	0.307	S	S	.	.	H	α-helix	trans	-70.7	-36	179.9	-69.5	-29.4	0	0	0	112.2	I678 K679 T680 R685 L686	I678-N682 VanDerWaalsContact O-CG 3.31Å; I678-N682 PolarHBondContact O-N 3.21Å; I678-N682 PolarHBondContact O-ND2 2.74Å; K679-N682 PolarHBondContact O-N 2.79Å; T680-N682 PolarHBondContact O-N 3.04Å; N682-R685 PolarHBondContact O-N 2.84Å; N682-L686 WeakPolarHBondContact O-CB 3.31Å; N682-L686 PolarHBondContact O-N 2.91Å
683	E	77.6	Confident	78.9	Confident	85 Å²	85	66 Å²	66	40%	0.397	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-50.8	170.6	-70.3	156.3	-167.7	0	0	111.1	V349 K679 T680 R685 L686 A687	V349-E683 HydrophobicContact CG2-CB 4.1Å; K679-E683 WeakPolarHBondContact O-CG 3.5Å; K679-E683 PolarHBondContact O-N 3.13Å; T680-E683 WeakPolarHBondContact CA-OE2 3.47Å; T680-E683 PolarHBondContact O-N 3.08Å; T680-E683 PolarHBondContact OG1-OE2 3.44Å; E683-R685 VanDerWaalsContact C-N 3.34Å; E683-R685 PolarHBondContact O-N 3.42Å; E683-L686 PolarHBondContact O-N 3.07Å; E683-A687 WeakPolarHBondContact O-CB 3.23Å; E683-A687 PolarHBondContact O-N 3.49Å
684	W	78.1	Confident	79	Confident	26 Å²	26	63.9 Å²	63.9	10%	0.098	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-36.2	176	-84.8	102.7	0	0	0	112.8	C339 V347 V349 T680 S681 A687 C688	C339-W684 HydrophobicContact CB-CE3 4.47Å; C339-W684 HydrophobicContact CB-CZ3 4.34Å; V347-W684 HydrophobicContact CG1-CZ2 4.27Å; V347-W684 PolarHBondContact O-NE1 3.29Å; V349-W684 HydrophobicContact CG2-CD2 4.24Å; V349-W684 HydrophobicContact CG2-CG 4.33Å; T680-W684 VanDerWaalsContact O-CD1 3.29Å; T680-W684 PolarHBondContact O-N 3.4Å; S681-W684 PolarHBondContact O-N 3.17Å; W684-A687 PolarHBondContact O-N 2.98Å; W684-C688 WeakPolarHBondContact O-CB 3.36Å; W684-C688 PolarHBondContact O-N 2.71Å; W684-C688 PolarHBondContact O-SG 3.18Å
685	R	78.3	Confident	79.4	Confident	96 Å²	96	58.6 Å²	58.6	36%	0.362	27%	0.273	S	S	.	.	H	α-helix	trans	-65.7	-43.1	173.6	-78.6	167.2	166	-178.4	-4	112.4	S681 N682 E683 C688 R689	S681-R685 WeakPolarHBondContact O-CB 3.47Å; S681-R685 WeakPolarHBondContact O-CD 3.47Å; S681-R685 WeakPolarHBondContact O-CG 3.26Å; S681-R685 PolarHBondContact O-N 3.21Å; N682-R685 PolarHBondContact O-N 2.84Å; E683-R685 VanDerWaalsContact C-N 3.34Å; E683-R685 PolarHBondContact O-N 3.42Å; R685-C688 PolarHBondContact O-N 3.37Å; R685-R689 WeakPolarHBondContact O-CB 3.44Å; R685-R689 WeakPolarHBondContact O-CD 3.42Å; R685-R689 VanDerWaalsContact O-CG 3.23Å; R685-R689 WeakPolarHBondContact O-CG 3.29Å; R685-R689 PolarHBondContact O-N 3.23Å
686	L	77.3	Confident	79.8	Confident	48 Å²	48	56.1 Å²	56.1	25%	0.251	26%	0.259	S	S	.	.	H	α-helix	trans	-61	-49.6	173.9	-178.1	65.6	0	0	0	110.1	L371 N682 E683 C688 R689 V690	L371-L686 HydrophobicContact CD1-CD2 3.93Å; N682-L686 WeakPolarHBondContact O-CB 3.31Å; N682-L686 PolarHBondContact O-N 2.91Å; E683-L686 PolarHBondContact O-N 3.07Å; L686-C688 PolarHBondContact O-N 3Å; L686-R689 PolarHBondContact O-N 3.35Å; L686-V690 HydrophobicContact CD1-CG2 4.3Å; L686-V690 HydrophobicContact CG-CG2 4.49Å; L686-V690 WeakPolarHBondContact O-CB 3.39Å; L686-V690 VanDerWaalsContact O-CG2 3.3Å; L686-V690 WeakPolarHBondContact O-CG2 3.2Å; L686-V690 PolarHBondContact O-N 3.15Å
687	A	80.7	Confident	80.2	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-57.5	-45.3	177	0	0	0	0	0	112.3	I353 I357 E683 W684 V690 L691	I353-A687 HydrophobicContact CG2-CB 4.26Å; I357-A687 HydrophobicContact CD1-CB 3.7Å; E683-A687 WeakPolarHBondContact O-CB 3.23Å; E683-A687 PolarHBondContact O-N 3.49Å; W684-A687 PolarHBondContact O-N 2.98Å; A687-V690 PolarHBondContact O-N 2.88Å; A687-L691 WeakPolarHBondContact O-CB 3.39Å; A687-L691 VanDerWaalsContact O-CG 3.23Å; A687-L691 WeakPolarHBondContact O-CG 3.35Å; A687-L691 PolarHBondContact O-N 3.16Å
688	C	79.9	Confident	80.7	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.014	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-40.4	177.6	-67.4	0	0	0	0	112.4	C339 H340 W684 R685 L686 L691 D692	C339-C688 VanDerWaalsContact C-SG 3.6Å; H340-C688 HydrophobicContact CB-CB 4.35Å; H340-C688 PolarHBondContact N-SG 3.07Å; H340-C688 VanDerWaalsContact N-SG 3.4Å; W684-C688 WeakPolarHBondContact O-CB 3.36Å; W684-C688 PolarHBondContact O-N 2.71Å; W684-C688 PolarHBondContact O-SG 3.18Å; R685-C688 PolarHBondContact O-N 3.37Å; L686-C688 PolarHBondContact O-N 3Å; C688-L691 PolarHBondContact O-N 3.28Å; C688-D692 VanDerWaalsContact O-CB 3.27Å; C688-D692 WeakPolarHBondContact O-CB 3.41Å; C688-D692 PolarHBondContact O-N 2.81Å
689	R	78.5	Confident	81.3	Confident	122 Å²	122	48.7 Å²	48.7	46%	0.46	23%	0.228	S	C	.	.	H	α-helix	trans	-62.9	-41.4	174.3	-71.7	165.9	-177.2	174.4	-0.3	111.8	E279 R685 L686 D692 R693	E279-R689 IonicContact OE1-CZ 3.36Å; E279-R689 IonicContact OE1-NE 3.33Å; E279-R689 IonicContact OE1-NH2 3.76Å; E279-R689 PolarHBondContact OE1-NH2 3.32Å; R685-R689 WeakPolarHBondContact O-CB 3.44Å; R685-R689 WeakPolarHBondContact O-CD 3.42Å; R685-R689 VanDerWaalsContact O-CG 3.23Å; R685-R689 WeakPolarHBondContact O-CG 3.29Å; R685-R689 PolarHBondContact O-N 3.23Å; L686-R689 PolarHBondContact O-N 3.35Å; R689-D692 PolarHBondContact O-N 3.47Å; R689-R693 WeakPolarHBondContact O-CG 3.24Å; R689-R693 PolarHBondContact O-N 2.89Å
690	V	81.1	Confident	81.8	Confident	8 Å²	8	46.9 Å²	46.9	5%	0.048	22%	0.224	C	C	.	.	H	α-helix	trans	-70.5	-40.7	179.5	174.6	0	0	0	0	111	I357 L361 I367 L686 A687 R693 L694	I357-V690 HydrophobicContact CB-CG1 4.3Å; I357-V690 HydrophobicContact CG1-CB 4.2Å; I357-V690 HydrophobicContact CG1-CG1 3.82Å; I357-V690 HydrophobicContact CG2-CG1 4.17Å; I357-V690 HydrophobicContact CG2-CG2 4.17Å; L361-V690 HydrophobicContact CB-CG1 3.62Å; L361-V690 HydrophobicContact CD2-CG1 3.44Å; L361-V690 VanDerWaalsContact CD2-CG1 3.44Å; L361-V690 VanDerWaalsContact CD2-O 3.3Å; L361-V690 WeakPolarHBondContact CD2-O 3.41Å; L361-V690 HydrophobicContact CG-CG1 4.02Å; I367-V690 HydrophobicContact CD1-CG2 4.5Å; L686-V690 HydrophobicContact CD1-CG2 4.3Å; L686-V690 HydrophobicContact CG-CG2 4.49Å; L686-V690 WeakPolarHBondContact O-CB 3.39Å; L686-V690 VanDerWaalsContact O-CG2 3.3Å; L686-V690 WeakPolarHBondContact O-CG2 3.2Å; L686-V690 PolarHBondContact O-N 3.15Å; A687-V690 PolarHBondContact O-N 2.88Å; V690-R693 PolarHBondContact O-N 2.67Å; V690-L694 PolarHBondContact O-N 3.09Å
691	L	83.1	Confident	82.5	Confident	40 Å²	40	48.1 Å²	48.1	21%	0.209	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-36.3	173	-69.4	168.1	0	0	0	112.6	L336 A687 C688 L694 C695	L336-L691 HydrophobicContact CD2-CB 3.52Å; A687-L691 WeakPolarHBondContact O-CB 3.39Å; A687-L691 VanDerWaalsContact O-CG 3.23Å; A687-L691 WeakPolarHBondContact O-CG 3.35Å; A687-L691 PolarHBondContact O-N 3.16Å; C688-L691 PolarHBondContact O-N 3.28Å; L691-L694 HydrophobicContact CD2-CD2 4.37Å; L691-L694 WeakPolarHBondContact O-CB 3.41Å; L691-L694 PolarHBondContact O-N 3.49Å; L691-C695 PolarHBondContact O-N 2.54Å; L691-C695 PolarHBondContact O-SG 2.94Å; L691-C695 VanDerWaalsContact O-SG 3.42Å
692	D	85.1	Confident	83.1	Confident	11 Å²	11	50.9 Å²	50.9	6%	0.059	25%	0.25	C	S	.	.	H	α-helix	trans	-64.9	-39.6	174.6	-163	28.4	0	0	0	111.1	F274 K283 L336 C688 R689 C695 L696	F274-D692 WeakPolarHBondContact CD1-OD1 3.34Å; K283-D692 IonicContact NZ-OD1 3.59Å; K283-D692 PolarHBondContact NZ-OD1 3.25Å; K283-D692 IonicContact NZ-OD2 2.67Å; K283-D692 PolarHBondContact NZ-OD2 3.19Å; L336-D692 HydrophobicContact CD1-CB 4.16Å; C688-D692 VanDerWaalsContact O-CB 3.27Å; C688-D692 WeakPolarHBondContact O-CB 3.41Å; C688-D692 PolarHBondContact O-N 2.81Å; R689-D692 PolarHBondContact O-N 3.47Å; D692-C695 PolarHBondContact O-N 3.11Å; D692-L696 WeakPolarHBondContact O-CB 3.43Å; D692-L696 PolarHBondContact O-N 2.71Å
693	R	83.4	Confident	83.6	Confident	114 Å²	114	47.4 Å²	47.4	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-69.2	-32.5	171	-67.1	-63.6	-172.6	-165.4	-0.4	113.3	L365 R689 V690 L696 L697	L365-R693 HydrophobicContact CD1-CB 3.69Å; L365-R693 HydrophobicContact CD2-CB 3.95Å; L365-R693 HydrophobicContact CD2-CG 4.25Å; L365-R693 HydrophobicContact CG-CB 4.49Å; R689-R693 WeakPolarHBondContact O-CG 3.24Å; R689-R693 PolarHBondContact O-N 2.89Å; V690-R693 PolarHBondContact O-N 2.67Å; R693-L696 WeakPolarHBondContact O-CB 3.31Å; R693-L696 PolarHBondContact O-N 3.2Å; R693-L697 PolarHBondContact O-N 2.75Å
694	L	84.1	Confident	83.9	Confident	42 Å²	42	48.4 Å²	48.4	22%	0.22	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-48	171.1	-175.8	53.4	0	0	0	111	L356 L361 V690 L691 L696 L697 I698	L356-L694 HydrophobicContact CD2-CD2 4.19Å; L361-L694 HydrophobicContact CD1-CD1 4.19Å; L361-L694 HydrophobicContact CD1-CD2 4.23Å; L361-L694 HydrophobicContact CD2-CB 3.63Å; L361-L694 HydrophobicContact CD2-CD1 4.18Å; L361-L694 HydrophobicContact CD2-CG 4.32Å; V690-L694 PolarHBondContact O-N 3.09Å; L691-L694 HydrophobicContact CD2-CD2 4.37Å; L691-L694 WeakPolarHBondContact O-CB 3.41Å; L691-L694 PolarHBondContact O-N 3.49Å; L694-L696 VanDerWaalsContact C-N 3.32Å; L694-L696 PolarHBondContact O-N 2.88Å; L694-L697 PolarHBondContact O-N 3.2Å; L694-I698 HydrophobicContact CD1-CD1 3.88Å; L694-I698 HydrophobicContact CD1-CG1 4.2Å; L694-I698 HydrophobicContact CG-CD1 3.8Å; L694-I698 HydrophobicContact CG-CG1 4.49Å; L694-I698 WeakPolarHBondContact O-CG1 3.47Å; L694-I698 PolarHBondContact O-N 3.38Å
695	C	86.3	Confident	84.3	Confident	19 Å²	19	54.7 Å²	54.7	13%	0.128	27%	0.268	C	S	.	.	H	α-helix	trans	-59.2	-44.1	174.8	-72.9	0	0	0	0	110.8	F274 L336 L691 D692 L697 I698 F699	F274-C695 HydrophobicContact CD1-CB 3.68Å; F274-C695 HydrophobicContact CE1-CB 3.47Å; F274-C695 VanDerWaalsContact CE1-CB 3.47Å; F274-C695 HydrophobicContact CG-CB 4.47Å; F274-C695 HydrophobicContact CZ-CB 4.08Å; L336-C695 HydrophobicContact CD1-CB 4.48Å; L691-C695 PolarHBondContact O-N 2.54Å; L691-C695 PolarHBondContact O-SG 2.94Å; L691-C695 VanDerWaalsContact O-SG 3.42Å; D692-C695 PolarHBondContact O-N 3.11Å; C695-L697 PolarHBondContact O-N 3.5Å; C695-I698 PolarHBondContact O-N 2.93Å; C695-F699 HydrophobicContact CB-CD2 4.14Å; C695-F699 HydrophobicContact CB-CE2 4.33Å; C695-F699 WeakPolarHBondContact O-CB 3.42Å; C695-F699 WeakPolarHBondContact O-CD2 3.39Å; C695-F699 PolarHBondContact O-N 3.38Å
696	L	88	Confident	84.6	Confident	36 Å²	36	51.4 Å²	51.4	19%	0.188	26%	0.258	C	S	.	.	H	α-helix	trans	-53.1	-51	172.4	-167.6	160.8	0	0	0	111.3	F274 T275 D692 R693 L694 T700	F274-L696 HydrophobicContact CB-CB 3.74Å; F274-L696 HydrophobicContact CB-CD1 4.27Å; F274-L696 HydrophobicContact CB-CG 4.02Å; T275-L696 HydrophobicContact CG2-CD1 4.11Å; D692-L696 WeakPolarHBondContact O-CB 3.43Å; D692-L696 PolarHBondContact O-N 2.71Å; R693-L696 WeakPolarHBondContact O-CB 3.31Å; R693-L696 PolarHBondContact O-N 3.2Å; L694-L696 VanDerWaalsContact C-N 3.32Å; L694-L696 PolarHBondContact O-N 2.88Å; L696-T700 HydrophobicContact CD2-CG2 3.75Å; L696-T700 HydrophobicContact CG-CG2 4.39Å; L696-T700 VanDerWaalsContact O-CB 3.28Å; L696-T700 WeakPolarHBondContact O-CB 3.48Å; L696-T700 VanDerWaalsContact O-CG2 3.23Å; L696-T700 WeakPolarHBondContact O-CG2 3.43Å; L696-T700 PolarHBondContact O-N 3.21Å; L696-T700 PolarHBondContact O-OG1 3.33Å
697	L	86.1	Confident	84.8	Confident	74 Å²	74	50 Å²	50	39%	0.387	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-46.4	-179.4	-163	164.3	0	0	0	111.5	I364 R693 L694 C695 T700 A701	I364-L697 HydrophobicContact CG2-CD1 3.55Å; R693-L697 PolarHBondContact O-N 2.75Å; L694-L697 PolarHBondContact O-N 3.2Å; C695-L697 PolarHBondContact O-N 3.5Å; L697-T700 WeakPolarHBondContact CA-OG1 3.21Å; L697-T700 PolarHBondContact O-OG1 2.84Å; L697-A701 VanDerWaalsContact O-CB 3.3Å; L697-A701 WeakPolarHBondContact O-CB 3.41Å; L697-A701 PolarHBondContact O-N 3.36Å
698	I	88.2	Confident	84.9	Confident	80 Å²	80	54.2 Å²	54.2	41%	0.41	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-49.5	178.8	-67.8	170	0	0	0	111.1	L694 C695 A701 L702	L694-I698 HydrophobicContact CD1-CD1 3.88Å; L694-I698 HydrophobicContact CD1-CG1 4.2Å; L694-I698 HydrophobicContact CG-CD1 3.8Å; L694-I698 HydrophobicContact CG-CG1 4.49Å; L694-I698 WeakPolarHBondContact O-CG1 3.47Å; L694-I698 PolarHBondContact O-N 3.38Å; C695-I698 PolarHBondContact O-N 2.93Å; I698-A701 PolarHBondContact O-N 3.35Å; I698-L702 HydrophobicContact CG2-CD1 3.79Å; I698-L702 HydrophobicContact CG2-CG 4.44Å; I698-L702 WeakPolarHBondContact O-CB 3.4Å; I698-L702 VanDerWaalsContact O-CG 3.26Å; I698-L702 WeakPolarHBondContact O-CG 3.16Å; I698-L702 PolarHBondContact O-N 3.32Å
699	F	88.9	Confident	84.8	Confident	13 Å²	13	55.4 Å²	55.4	6%	0.057	29%	0.286	C	S	.	.	H	α-helix	trans	-73.7	-30.2	-177.8	-74.4	-70.8	0	0	0	113	F274 L325 L328 C332 C695 L702 N703	F274-F699 HydrophobicContact CD2-CB 4.16Å; F274-F699 HydrophobicContact CD2-CD2 4.15Å; F274-F699 HydrophobicContact CD2-CG 4.45Å; F274-F699 HydrophobicContact CE1-CD2 4.18Å; F274-F699 HydrophobicContact CE1-CE2 4.37Å; F274-F699 HydrophobicContact CE2-CB 3.78Å; F274-F699 AromaticContact CE2-CD2 3.22Å; F274-F699 HydrophobicContact CE2-CD2 3.22Å; F274-F699 AromaticContact CE2-CE2 3.92Å; F274-F699 HydrophobicContact CE2-CE2 3.92Å; F274-F699 AromaticContact CE2-CG 3.62Å; F274-F699 HydrophobicContact CE2-CG 3.62Å; F274-F699 AromaticContact CZ-CD2 3.25Å; F274-F699 HydrophobicContact CZ-CD2 3.25Å; F274-F699 AromaticContact CZ-CE2 3.49Å; F274-F699 HydrophobicContact CZ-CE2 3.49Å; F274-F699 VanDerWaalsContact CZ-CE2 3.49Å; F274-F699 HydrophobicContact CZ-CG 4.09Å; F274-F699 HydrophobicContact CZ-CZ 4.47Å; L325-F699 HydrophobicContact CD2-CD1 4.3Å; L325-F699 HydrophobicContact CD2-CE1 4.39Å; L328-F699 HydrophobicContact CB-CE1 3.99Å; L328-F699 HydrophobicContact CB-CZ 4Å; C332-F699 HydrophobicContact CB-CE2 4.19Å; C695-F699 HydrophobicContact CB-CD2 4.14Å; C695-F699 HydrophobicContact CB-CE2 4.33Å; C695-F699 WeakPolarHBondContact O-CB 3.42Å; C695-F699 WeakPolarHBondContact O-CD2 3.39Å; C695-F699 PolarHBondContact O-N 3.38Å; F699-L702 HydrophobicContact CD1-CD1 4.36Å; F699-N703 WeakPolarHBondContact O-CB 3.43Å; F699-N703 PolarHBondContact O-N 3.26Å; F699-N703 PolarHBondContact O-ND2 3.03Å
700	T	87.9	Confident	84.5	Confident	49 Å²	49	51.5 Å²	51.5	30%	0.301	27%	0.274	S	S	.	.	H	α-helix	trans	-66.3	-44.7	169.1	49.5	0	0	0	0	111.1	L271 L696 L697 L702 N703 L704	L271-T700 HydrophobicContact CD1-CG2 4.17Å; L271-T700 HydrophobicContact CD2-CG2 3.77Å; L271-T700 HydrophobicContact CG-CG2 4.4Å; L696-T700 HydrophobicContact CD2-CG2 3.75Å; L696-T700 HydrophobicContact CG-CG2 4.39Å; L696-T700 VanDerWaalsContact O-CB 3.28Å; L696-T700 WeakPolarHBondContact O-CB 3.48Å; L696-T700 VanDerWaalsContact O-CG2 3.23Å; L696-T700 WeakPolarHBondContact O-CG2 3.43Å; L696-T700 PolarHBondContact O-N 3.21Å; L696-T700 PolarHBondContact O-OG1 3.33Å; L697-T700 WeakPolarHBondContact CA-OG1 3.21Å; L697-T700 PolarHBondContact O-OG1 2.84Å; T700-L702 PolarHBondContact O-N 3.06Å; T700-N703 PolarHBondContact O-N 3.36Å; T700-L704 WeakPolarHBondContact O-CB 3.42Å; T700-L704 PolarHBondContact O-N 3.15Å
701	A	87.5	Confident	84.1	Confident	52 Å²	52	55.8 Å²	55.8	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-61.6	-42.2	175.2	0	0	0	0	0	112.3	L697 I698 F705	L697-A701 VanDerWaalsContact O-CB 3.3Å; L697-A701 WeakPolarHBondContact O-CB 3.41Å; L697-A701 PolarHBondContact O-N 3.36Å; I698-A701 PolarHBondContact O-N 3.35Å; A701-F705 VanDerWaalsContact O-CB 3.27Å; A701-F705 WeakPolarHBondContact O-CB 3.47Å; A701-F705 PolarHBondContact O-N 3.27Å
702	L	88.6	Confident	83.5	Confident	71 Å²	71	59.2 Å²	59.2	37%	0.372	32%	0.318	S	S	.	.	H	α-helix	trans	-67.1	-43.4	177.2	-71.8	170.1	0	0	0	112.8	L325 I698 F699 T700 F705 T706	L325-L702 HydrophobicContact CD1-CB 4.3Å; L325-L702 HydrophobicContact CD2-CB 3.81Å; L325-L702 HydrophobicContact CD2-CD1 3.79Å; L325-L702 HydrophobicContact CD2-CG 4.33Å; I698-L702 HydrophobicContact CG2-CD1 3.79Å; I698-L702 HydrophobicContact CG2-CG 4.44Å; I698-L702 WeakPolarHBondContact O-CB 3.4Å; I698-L702 VanDerWaalsContact O-CG 3.26Å; I698-L702 WeakPolarHBondContact O-CG 3.16Å; I698-L702 PolarHBondContact O-N 3.32Å; F699-L702 HydrophobicContact CD1-CD1 4.36Å; T700-L702 PolarHBondContact O-N 3.06Å; L702-F705 PolarHBondContact O-N 3.27Å; L702-T706 WeakPolarHBondContact O-CG2 3.3Å; L702-T706 PolarHBondContact O-N 2.96Å; L702-T706 PolarHBondContact O-OG1 2.99Å
703	N	86.3	Confident	82.6	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.032	33%	0.334	C	S	.	.	H	α-helix	trans	-68.3	-36.7	175.9	-81.1	-81.8	0	0	0	112.1	L271 F699 T700 T706 T707	L271-N703 HydrophobicContact CD2-CB 4.1Å; F699-N703 WeakPolarHBondContact O-CB 3.43Å; F699-N703 PolarHBondContact O-N 3.26Å; F699-N703 PolarHBondContact O-ND2 3.03Å; T700-N703 PolarHBondContact O-N 3.36Å; N703-T706 PolarHBondContact O-OG1 3.46Å; N703-T706 VanDerWaalsContact O-OG1 3.11Å; N703-T707 VanDerWaalsContact O-CB 3.23Å; N703-T707 WeakPolarHBondContact O-CB 3.37Å; N703-T707 PolarHBondContact O-N 3.28Å; N703-T707 PolarHBondContact O-OG1 3.43Å
704	L	85.6	Confident	81.6	Confident	107 Å²	107	56.6 Å²	56.6	56%	0.56	32%	0.319	S	S	*	.	H	α-helix	trans	-64.2	-44.2	173.5	-175	68.3	0	0	0	110.4	T700 T707 L708	T700-L704 WeakPolarHBondContact O-CB 3.42Å; T700-L704 PolarHBondContact O-N 3.15Å; L704-T707 PolarHBondContact O-N 3.32Å; L704-L708 HydrophobicContact CD1-CD1 3.69Å; L704-L708 HydrophobicContact CG-CD1 4.17Å; L704-L708 WeakPolarHBondContact O-CB 3.34Å; L704-L708 WeakPolarHBondContact O-CD1 3.33Å; L704-L708 PolarHBondContact O-N 3.02Å
705	F	86.3	Confident	80.4	Confident	158 Å²	158	58 Å²	58	69%	0.693	33%	0.331	S	S	*	.	H	α-helix	trans	-64.7	-43.9	178.6	-177.3	-95.7	0	0	0	112.8	A701 L702 G709	A701-F705 VanDerWaalsContact O-CB 3.27Å; A701-F705 WeakPolarHBondContact O-CB 3.47Å; A701-F705 PolarHBondContact O-N 3.27Å; L702-F705 PolarHBondContact O-N 3.27Å; F705-G709 PolarHBondContact O-N 3.05Å
706	T	83.6	Confident	79.1	Confident	27 Å²	27	59.1 Å²	59.1	17%	0.166	34%	0.337	C	S	.	.	H	α-helix	trans	-64.4	-48.2	175.2	52.9	0	0	0	0	111.1	C321 L325 L702 N703 L708 G709 I710	C321-T706 HydrophobicContact CB-CG2 4.27Å; L325-T706 HydrophobicContact CD1-CG2 4.03Å; L702-T706 WeakPolarHBondContact O-CG2 3.3Å; L702-T706 PolarHBondContact O-N 2.96Å; L702-T706 PolarHBondContact O-OG1 2.99Å; N703-T706 PolarHBondContact O-OG1 3.46Å; N703-T706 VanDerWaalsContact O-OG1 3.11Å; T706-L708 PolarHBondContact O-N 3.34Å; T706-G709 PolarHBondContact O-N 3.06Å; T706-I710 VanDerWaalsContact O-CD1 3.3Å; T706-I710 WeakPolarHBondContact O-CD1 3.39Å; T706-I710 WeakPolarHBondContact O-CG1 3.34Å; T706-I710 PolarHBondContact O-N 3.34Å
707	T	81.9	Confident	77.6	Confident	17 Å²	17	58.8 Å²	58.8	10%	0.104	34%	0.337	C	S	.	.	H	α-helix	trans	-58.9	-45.8	178.6	-57.1	0	0	0	0	112.1	M264 N703 L704 L711	M264-T707 HydrophobicContact CE-CG2 3.91Å; M264-T707 HydrophobicContact SD-CG2 4.42Å; N703-T707 VanDerWaalsContact O-CB 3.23Å; N703-T707 WeakPolarHBondContact O-CB 3.37Å; N703-T707 PolarHBondContact O-N 3.28Å; N703-T707 PolarHBondContact O-OG1 3.43Å; L704-T707 PolarHBondContact O-N 3.32Å; T707-L711 HydrophobicContact CG2-CD1 4.04Å; T707-L711 WeakPolarHBondContact O-CB 3.49Å; T707-L711 VanDerWaalsContact O-CG 3.29Å; T707-L711 WeakPolarHBondContact O-CG 3.5Å; T707-L711 PolarHBondContact O-N 2.98Å
708	L	81.9	Confident	76.1	Confident	91 Å²	91	60.7 Å²	60.7	48%	0.476	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-45.9	174.7	-98.2	61.6	0	0	0	111.8	L704 T706 I710 L711 T712	L704-L708 HydrophobicContact CD1-CD1 3.69Å; L704-L708 HydrophobicContact CG-CD1 4.17Å; L704-L708 WeakPolarHBondContact O-CB 3.34Å; L704-L708 WeakPolarHBondContact O-CD1 3.33Å; L704-L708 PolarHBondContact O-N 3.02Å; T706-L708 PolarHBondContact O-N 3.34Å; L708-I710 VanDerWaalsContact C-N 3.26Å; L708-I710 PolarHBondContact O-N 2.93Å; L708-L711 PolarHBondContact O-N 2.79Å; L708-T712 WeakPolarHBondContact O-CG2 3.21Å; L708-T712 PolarHBondContact O-N 3.39Å; L708-T712 PolarHBondContact O-OG1 3.48Å; L708-T712 VanDerWaalsContact O-OG1 3.12Å
709	G	78.1	Confident	74.6	Confident	26 Å²	26	63.9 Å²	63.9	27%	0.268	36%	0.357	S	S	.	.	H	α-helix	trans	-53.5	-45.6	178.3	0	0	0	0	0	111.6	F705 T706 T712 S713	F705-G709 PolarHBondContact O-N 3.05Å; T706-G709 PolarHBondContact O-N 3.06Å; G709-T712 WeakPolarHBondContact CA-OG1 3.43Å; G709-T712 PolarHBondContact O-N 2.96Å; G709-T712 PolarHBondContact O-OG1 3.47Å; G709-S713 WeakPolarHBondContact O-CB 3.45Å; G709-S713 PolarHBondContact O-N 2.83Å; G709-S713 PolarHBondContact O-OG 3.03Å
710	I	73	Confident	72.9	Confident	41 Å²	41	64.7 Å²	64.7	21%	0.21	37%	0.366	C	S	.	.	H	α-helix	trans	-70.2	-42	178.7	-67.6	154.5	0	0	0	112.2	V314 Y318 T706 L708 T712 S713 A714	V314-I710 HydrophobicContact CG1-CG2 4.12Å; Y318-I710 VanDerWaalsContact CB-CD1 3.45Å; Y318-I710 HydrophobicContact CD2-CD1 3.2Å; Y318-I710 HydrophobicContact CE2-CD1 4.07Å; Y318-I710 HydrophobicContact CG-CD1 3.51Å; T706-I710 VanDerWaalsContact O-CD1 3.3Å; T706-I710 WeakPolarHBondContact O-CD1 3.39Å; T706-I710 WeakPolarHBondContact O-CG1 3.34Å; T706-I710 PolarHBondContact O-N 3.34Å; L708-I710 VanDerWaalsContact C-N 3.26Å; L708-I710 PolarHBondContact O-N 2.93Å; I710-T712 VanDerWaalsContact C-N 3.27Å; I710-T712 PolarHBondContact O-N 3.44Å; I710-S713 WeakPolarHBondContact O-CB 3.28Å; I710-S713 PolarHBondContact O-N 3.34Å; I710-S713 VanDerWaalsContact O-N 3.12Å; I710-A714 PolarHBondContact O-N 2.82Å
711	L	72.1	Confident	71.3	Confident	98 Å²	98	68.3 Å²	68.3	51%	0.513	38%	0.378	S	S	.	.	H	α-helix	trans	-60.2	-37.2	173.3	-75.5	167	0	0	0	112	T707 L708	T707-L711 HydrophobicContact CG2-CD1 4.04Å; T707-L711 WeakPolarHBondContact O-CB 3.49Å; T707-L711 VanDerWaalsContact O-CG 3.29Å; T707-L711 WeakPolarHBondContact O-CG 3.5Å; T707-L711 PolarHBondContact O-N 2.98Å; L708-L711 PolarHBondContact O-N 2.79Å
712	T	71.6	Confident	69.8	Low	111 Å²	111	71 Å²	71	68%	0.681	39%	0.389	S	S	*	.	H	α-helix	trans	-75.2	-30.7	172.9	56	0	0	0	0	113.2	L708 G709 I710 A714	L708-T712 WeakPolarHBondContact O-CG2 3.21Å; L708-T712 PolarHBondContact O-N 3.39Å; L708-T712 PolarHBondContact O-OG1 3.48Å; L708-T712 VanDerWaalsContact O-OG1 3.12Å; G709-T712 WeakPolarHBondContact CA-OG1 3.43Å; G709-T712 PolarHBondContact O-N 2.96Å; G709-T712 PolarHBondContact O-OG1 3.47Å; I710-T712 VanDerWaalsContact C-N 3.27Å; I710-T712 PolarHBondContact O-N 3.44Å; T712-A714 VanDerWaalsContact C-N 3.31Å; T712-A714 PolarHBondContact O-N 2.91Å
713	S	66.2	Low	68.1	Low	56 Å²	56	71.2 Å²	71.2	39%	0.392	40%	0.396	S	S	.	.	H	α-helix	trans	-65.9	-32.7	175.2	-65.3	0	0	0	0	112.3	W162 G709 I710 P715	W162-S713 WeakPolarHBondContact CH2-O 3.47Å; W162-S713 WeakPolarHBondContact CZ3-O 3.3Å; G709-S713 WeakPolarHBondContact O-CB 3.45Å; G709-S713 PolarHBondContact O-N 2.83Å; G709-S713 PolarHBondContact O-OG 3.03Å; I710-S713 WeakPolarHBondContact O-CB 3.28Å; I710-S713 PolarHBondContact O-N 3.34Å; I710-S713 VanDerWaalsContact O-N 3.12Å; S713-P715 WeakPolarHBondContact O-CD 3.42Å
714	A	62.6	Low	66.4	Low	14 Å²	14	78.2 Å²	78.2	12%	0.116	42%	0.422	C	S	.	.			trans	-107.5	69.8	-175.1	0	0	0	0	0	113.5	W162 I710 T712 T716 V717	W162-A714 HydrophobicContact CZ3-CB 4.36Å; I710-A714 PolarHBondContact O-N 2.82Å; T712-A714 VanDerWaalsContact C-N 3.31Å; T712-A714 PolarHBondContact O-N 2.91Å; A714-T716 PolarHBondContact O-N 3.19Å; A714-T716 VanDerWaalsContact O-N 3.11Å; A714-V717 HydrophobicContact CB-CG2 3.81Å; A714-V717 WeakPolarHBondContact O-CB 3.32Å; A714-V717 WeakPolarHBondContact O-CG2 3.45Å; A714-V717 PolarHBondContact O-N 2.83Å
715	P	58.7	Low	64.2	Low	72 Å²	72	76.5 Å²	76.5	47%	0.468	43%	0.431	S	S	.	.	H	α-helix	trans	-64.7	-15.2	175.5	30.7	-36.6	0	0	0	112.6	S713 V717 I718 K719	S713-P715 WeakPolarHBondContact O-CD 3.42Å; P715-V717 PolarHBondContact O-N 3.05Å; P715-I718 PolarHBondContact O-N 2.94Å; P715-K719 PolarHBondContact O-N 3.23Å
716	T	58.1	Low	61.8	Low	42 Å²	42	72.9 Å²	72.9	26%	0.258	43%	0.43	S	S	.	.	H	α-helix	trans	-57.3	-31.7	167.4	45.4	0	0	0	0	112.7	A714 K719 A720	A714-T716 PolarHBondContact O-N 3.19Å; A714-T716 VanDerWaalsContact O-N 3.11Å; T716-K719 PolarHBondContact O-N 3.39Å; T716-A720 VanDerWaalsContact O-CB 3.27Å; T716-A720 WeakPolarHBondContact O-CB 3.37Å; T716-A720 PolarHBondContact O-N 2.84Å
717	V	57.2	Low	59.7	Low	29 Å²	29	77 Å²	77	18%	0.176	46%	0.457	C	S	.	.	H	α-helix	trans	-62.7	-48.4	175	179.9	0	0	0	0	110.4	F165 A714 P715 K719 A720 F721	F165-V717 HydrophobicContact CD2-CG2 4.14Å; F165-V717 HydrophobicContact CE2-CG2 3.69Å; F165-V717 HydrophobicContact CZ-CG2 3.96Å; A714-V717 HydrophobicContact CB-CG2 3.81Å; A714-V717 WeakPolarHBondContact O-CB 3.32Å; A714-V717 WeakPolarHBondContact O-CG2 3.45Å; A714-V717 PolarHBondContact O-N 2.83Å; P715-V717 PolarHBondContact O-N 3.05Å; V717-K719 VanDerWaalsContact C-N 3.34Å; V717-K719 PolarHBondContact O-N 3.46Å; V717-A720 PolarHBondContact O-N 3.32Å; V717-F721 HydrophobicContact CG1-CD2 3.85Å; V717-F721 HydrophobicContact CG1-CE2 3.86Å; V717-F721 WeakPolarHBondContact O-CD2 3.48Å; V717-F721 PolarHBondContact O-N 3.45Å
718	I	55	Low	57.8	Low	115 Å²	115	81.6 Å²	81.6	59%	0.59	49%	0.49	S	S	*	.	H	α-helix	trans	-64.1	-41.7	178.6	-57.8	177.8	0	0	0	110.2	P715 F721 T722	P715-I718 PolarHBondContact O-N 2.94Å; I718-F721 PolarHBondContact O-N 3.31Å; I718-T722 HydrophobicContact CG2-CG2 4.49Å; I718-T722 WeakPolarHBondContact O-CB 3.24Å; I718-T722 WeakPolarHBondContact O-CG2 3.48Å; I718-T722 PolarHBondContact O-N 3.32Å; I718-T722 PolarHBondContact O-OG1 3.48Å
719	K	55.3	Low	55.3	Low	147 Å²	147	85 Å²	85	64%	0.639	50%	0.504	S	S	*	.	H	α-helix	trans	-60.1	-46.2	172.7	-71.4	-176.4	176.2	-176.5	0	112.2	P715 T716 V717 F721 T722 S723	P715-K719 PolarHBondContact O-N 3.23Å; T716-K719 PolarHBondContact O-N 3.39Å; V717-K719 VanDerWaalsContact C-N 3.34Å; V717-K719 PolarHBondContact O-N 3.46Å; K719-F721 VanDerWaalsContact C-N 3.32Å; K719-F721 PolarHBondContact O-N 3.49Å; K719-T722 WeakPolarHBondContact CA-OG1 3.29Å; K719-T722 PolarHBondContact O-N 2.95Å; K719-T722 VanDerWaalsContact O-N 3.1Å; K719-T722 PolarHBondContact O-OG1 3.22Å; K719-S723 VanDerWaalsContact O-CB 3.32Å; K719-S723 WeakPolarHBondContact O-CB 3.49Å; K719-S723 PolarHBondContact O-N 3.06Å; K719-S723 PolarHBondContact O-OG 2.96Å; K719-S723 VanDerWaalsContact O-OG 3.06Å
720	A	53.6	Low	53.1	Low	30 Å²	30	90 Å²	90	25%	0.248	53%	0.532	C	S	.	.	H	α-helix	trans	-68.3	-26.8	-178.7	0	0	0	0	0	114	F165 T716 V717	F165-A720 HydrophobicContact CD1-CB 3.91Å; F165-A720 HydrophobicContact CE1-CB 3.78Å; T716-A720 VanDerWaalsContact O-CB 3.27Å; T716-A720 WeakPolarHBondContact O-CB 3.37Å; T716-A720 PolarHBondContact O-N 2.84Å; V717-A720 PolarHBondContact O-N 3.32Å
721	F	54.4	Low	51.3	Low	125 Å²	125	99.3 Å²	99.3	55%	0.548	58%	0.577	S	S	.	*	H	α-helix	trans	-80.6	-25.7	170	-82.3	-71.5	0	0	0	113.3	M256 V717 I718 K719	M256-F721 HydrophobicContact CE-CE2 3.62Å; M256-F721 HydrophobicContact CE-CZ 3.62Å; V717-F721 HydrophobicContact CG1-CD2 3.85Å; V717-F721 HydrophobicContact CG1-CE2 3.86Å; V717-F721 WeakPolarHBondContact O-CD2 3.48Å; V717-F721 PolarHBondContact O-N 3.45Å; I718-F721 PolarHBondContact O-N 3.31Å; K719-F721 VanDerWaalsContact C-N 3.32Å; K719-F721 PolarHBondContact O-N 3.49Å
722	T	55.8	Low	50.3	Low	108 Å²	108	99.4 Å²	99.4	66%	0.663	58%	0.58	S	S	*	*	H	α-helix	trans	-97.3	-27.2	-177.6	50.7	0	0	0	0	114.5	I718 K719 R724	I718-T722 HydrophobicContact CG2-CG2 4.49Å; I718-T722 WeakPolarHBondContact O-CB 3.24Å; I718-T722 WeakPolarHBondContact O-CG2 3.48Å; I718-T722 PolarHBondContact O-N 3.32Å; I718-T722 PolarHBondContact O-OG1 3.48Å; K719-T722 WeakPolarHBondContact CA-OG1 3.29Å; K719-T722 PolarHBondContact O-N 2.95Å; K719-T722 VanDerWaalsContact O-N 3.1Å; K719-T722 PolarHBondContact O-OG1 3.22Å; T722-R724 PolarHBondContact O-N 3.26Å
723	S	52.8	Low	49.1	Very low	75 Å²	75	98.7 Å²	98.7	52%	0.524	58%	0.575	S	S	.	*	S	Bend	trans	-74.9	-10.7	178.3	65.8	0	0	0	0	113.8	K719 G725 A726	K719-S723 VanDerWaalsContact O-CB 3.32Å; K719-S723 WeakPolarHBondContact O-CB 3.49Å; K719-S723 PolarHBondContact O-N 3.06Å; K719-S723 PolarHBondContact O-OG 2.96Å; K719-S723 VanDerWaalsContact O-OG 3.06Å; S723-G725 PolarHBondContact O-N 2.88Å; S723-A726 PolarHBondContact O-N 2.85Å; S723-A726 VanDerWaalsContact O-N 3.14Å
724	R	50	Low	48.2	Very low	153 Å²	153	101.1 Å²	101.1	58%	0.577	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	8.5	-169.1	-140	179.4	-143.1	138.7	23.2	116.2	L253 T722	L253-R724 VanDerWaalsContact CD2-NH2 3.31Å; L253-R724 VanDerWaalsContact CG-NH2 3.31Å; T722-R724 PolarHBondContact O-N 3.26Å
725	G	40.1	Very low	47.4	Very low	72 Å²	72	106.2 Å²	106.2	74%	0.742	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	-6.6	174.7	0	0	0	0	0	114.9	S723 P727	S723-G725 PolarHBondContact O-N 2.88Å; G725-P727 WeakPolarHBondContact O-CD 3.33Å
726	A	36.6	Very low	46.6	Very low	81 Å²	81	108.4 Å²	108.4	67%	0.669	62%	0.621	S	S	*	*			trans	-90	114.1	175.9	0	0	0	0	0	110.4	S723 S728	S723-A726 PolarHBondContact O-N 2.85Å; S723-A726 VanDerWaalsContact O-N 3.14Å; A726-S728 PolarHBondContact O-N 3.02Å
727	P	39.8	Very low	45.9	Very low	114 Å²	114	112.8 Å²	112.8	74%	0.74	65%	0.646	S	S	*	*			trans	-70.4	115.8	166.3	29.1	-31.3	0	0	0	108.4	G725 Q729	G725-P727 WeakPolarHBondContact O-CD 3.33Å; P727-Q729 PolarHBondContact O-N 3.34Å
728	S	41.2	Very low	45.1	Very low	114 Å²	114	118.8 Å²	118.8	80%	0.797	68%	0.679	S	S	*	*			trans	-58.9	107.5	158.9	52.8	0	0	0	0	107.4	A726	A726-S728 PolarHBondContact O-N 3.02Å
729	Q	28.6	Very low	44.3	Very low	163 Å²	163	119.1 Å²	119.1	76%	0.762	69%	0.686	S	S	*	*			trans	-60.5	144.3	167.7	-69	-173	-44.6	0	0	108.3	P727 M731	P727-Q729 PolarHBondContact O-N 3.34Å; Q729-M731 PolarHBondContact O-N 3.04Å
730	P	33.1	Very low	43.4	Very low	131 Å²	131	116.8 Å²	116.8	85%	0.851	69%	0.69	S	S	*	*			trans	-60.7	125.1	158.3	28.7	-31.7	0	0	0	107.6
731	M	34.8	Very low	42.5	Very low	235 Å²	235	124.6 Å²	124.6	100%	1.158	73%	0.73	S	S	*	*			trans	-92	0	159.1	-69.6	-174.5	173.5	0	0	107.7	Q729	Q729-M731 PolarHBondContact O-N 3.04Å

Retrieved 731 of 731 residues in 201.6 ms (Link to these results)

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