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Calpain-1 catalytic subunit

Calcium-regulated non-lysosomal thiol-protease which catalyze limited proteolysis of substrates involved in cytoskeletal remodeling and signal transduction. Proteolytically cleaves CTBP1. Cleaves and activates caspase-7 (CASP7).

AlphaFold DB , UniProt , Accession Q9GLG2, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene CAPN1, Length 714 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	38.6	Very low	45.1	Very low	238 Å²	238	142 Å²	142	100%	1.172	76%	0.759	S	S	*	*				0	109.9	0	-71.2	-175.7	-86.6	0	0	105.7	E3	M1-E3 PolarHBondContact O-N 3.34Å
2	A	37.9	Very low	47.4	Very low	102 Å²	102	139.3 Å²	139.3	84%	0.843	75%	0.751	S	S	*	*			trans	-69.2	118.2	171.7	0	0	0	0	0	106.1	E4	A2-E4 PolarHBondContact O-N 3.39Å; A2-E4 VanDerWaalsContact O-N 3.08Å
3	E	41.1	Very low	49.7	Very low	184 Å²	184	132.8 Å²	132.8	86%	0.86	74%	0.737	S	S	*	*			trans	-57.7	114.6	170.9	-75.5	179.6	156.8	0	0	107	M1 I5	M1-E3 PolarHBondContact O-N 3.34Å; E3-I5 PolarHBondContact O-N 3.33Å; E3-I5 VanDerWaalsContact O-N 3.16Å
4	E	35.9	Very low	51.9	Low	177 Å²	177	128.1 Å²	128.1	83%	0.827	71%	0.713	S	S	*	*			trans	-53.1	123.3	171.3	-98.1	-179.6	153.9	0	0	107.7	A2 I6	A2-E4 PolarHBondContact O-N 3.39Å; A2-E4 VanDerWaalsContact O-N 3.08Å; E4-I6 PolarHBondContact O-N 3.38Å
5	I	40.4	Very low	54	Low	155 Å²	155	123.7 Å²	123.7	80%	0.795	70%	0.695	S	S	*	*			trans	-67.2	89.6	172.1	-59.1	172.8	0	0	0	105.8	E3 T7	E3-I5 PolarHBondContact O-N 3.33Å; E3-I5 VanDerWaalsContact O-N 3.16Å; I5-T7 VanDerWaalsContact C-N 3.31Å; I5-T7 PolarHBondContact O-N 2.91Å
6	I	42.9	Very low	55.9	Low	146 Å²	146	118.1 Å²	118.1	75%	0.749	67%	0.669	S	S	*	*			trans	-62.8	101.5	170.6	-60.5	176.2	0	0	0	105.2	E4 P8	E4-I6 PolarHBondContact O-N 3.38Å; I6-P8 VanDerWaalsContact O-CD 3.3Å; I6-P8 WeakPolarHBondContact O-CD 3.47Å
7	T	40.6	Very low	57.5	Low	108 Å²	108	117.1 Å²	117.1	66%	0.663	66%	0.657	S	S	*	*			trans	-65.9	118.9	176.9	-51.6	0	0	0	0	106.5	I5 V9	I5-T7 VanDerWaalsContact C-N 3.31Å; I5-T7 PolarHBondContact O-N 2.91Å; T7-V9 PolarHBondContact O-N 3.5Å; T7-V9 VanDerWaalsContact O-N 3.14Å
8	P	47.1	Very low	58.9	Low	72 Å²	72	114 Å²	114	47%	0.468	64%	0.641	S	S	.	*			trans	-61.3	122.7	-177.8	-19.2	30.6	0	0	0	109.1	I6 Y10	I6-P8 VanDerWaalsContact O-CD 3.3Å; I6-P8 WeakPolarHBondContact O-CD 3.47Å; P8-Y10 HydrophobicContact CB-CE1 4.17Å; P8-Y10 HydrophobicContact CB-CE2 4.03Å; P8-Y10 WeakPolarHBondContact O-CD2 3.31Å; P8-Y10 WeakPolarHBondContact O-CE2 3.4Å; P8-Y10 PolarHBondContact O-N 3.29Å
9	V	52	Low	60.4	Low	145 Å²	145	114.1 Å²	114.1	88%	0.879	64%	0.636	S	S	*	*			trans	-76.6	105	170.9	-178.3	0	0	0	0	106.9	T7	T7-V9 PolarHBondContact O-N 3.5Å; T7-V9 VanDerWaalsContact O-N 3.14Å
10	Y	56.5	Low	61.7	Low	176 Å²	176	113 Å²	113	69%	0.69	62%	0.624	S	S	*	*			trans	-78.3	135.3	177.8	-60.9	-80.6	0	0	0	110.3	P8	P8-Y10 HydrophobicContact CB-CE1 4.17Å; P8-Y10 HydrophobicContact CB-CE2 4.03Å; P8-Y10 WeakPolarHBondContact O-CD2 3.31Å; P8-Y10 WeakPolarHBondContact O-CE2 3.4Å; P8-Y10 PolarHBondContact O-N 3.29Å
11	C	63.8	Low	62.8	Low	59 Å²	59	112.1 Å²	112.1	40%	0.399	62%	0.616	S	S	.	*			trans	-62.7	137.1	170.2	-65.4	0	0	0	0	109.9	A16 Q19	C11-A16 HydrophobicContact CB-CB 4.11Å; C11-A16 WeakPolarHBondContact O-CB 3.17Å; C11-Q19 PolarHBondContact SG-OE1 3.18Å
12	T	71.9	Confident	65.2	Low	109 Å²	109	108.9 Å²	108.9	67%	0.669	59%	0.59	S	S	*	*			trans	-129.4	152.2	177.9	57.4	0	0	0	0	111.3	S15	T12-S15 PolarHBondContact O-OG 3.07Å
13	G	77.8	Confident	67.7	Low	55 Å²	55	105.3 Å²	105.3	57%	0.567	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.9	-134.4	176.6	0	0	0	0	0	112.7	S15 A16 Q17	G13-S15 VanDerWaalsContact C-N 3.32Å; G13-S15 PolarHBondContact O-N 3.28Å; G13-A16 WeakPolarHBondContact O-CB 3.49Å; G13-A16 PolarHBondContact O-N 3.06Å; G13-Q17 PolarHBondContact O-N 3.45Å
14	V	80.2	Confident	70	Confident	67 Å²	67	99 Å²	99	41%	0.406	53%	0.531	S	S	.	.	H	α-helix	trans	-63.1	-36.2	-175	-180	0	0	0	0	112.2	A16 Q17 V18 L658	V14-A16 VanDerWaalsContact C-N 3.33Å; V14-A16 PolarHBondContact O-N 3.26Å; V14-Q17 WeakPolarHBondContact O-CB 3.44Å; V14-Q17 PolarHBondContact O-N 2.96Å; V14-V18 HydrophobicContact CG1-CG2 4.42Å; V14-V18 WeakPolarHBondContact O-CG2 3.41Å; V14-V18 PolarHBondContact O-N 3.36Å; V14-L658 HydrophobicContact CG2-CD1 4.25Å; V14-L658 HydrophobicContact CG2-CD2 3.79Å
15	S	83.8	Confident	72.4	Confident	63 Å²	63	96.8 Å²	96.8	44%	0.441	52%	0.521	S	S	.	.	H	α-helix	trans	-64.4	-38.8	178.4	60.4	0	0	0	0	112	T12 G13 Q17 V18 Q19	T12-S15 PolarHBondContact O-OG 3.07Å; G13-S15 VanDerWaalsContact C-N 3.32Å; G13-S15 PolarHBondContact O-N 3.28Å; S15-Q17 VanDerWaalsContact C-N 3.33Å; S15-Q17 PolarHBondContact O-N 2.88Å; S15-V18 PolarHBondContact O-N 3.46Å; S15-Q19 PolarHBondContact O-N 2.81Å
16	A	83.9	Confident	74.9	Confident	33 Å²	33	96.8 Å²	96.8	27%	0.273	52%	0.521	S	S	.	.	H	α-helix	trans	-62.4	-40.5	174.1	0	0	0	0	0	111.8	C11 G13 V14 Q19 K20	C11-A16 HydrophobicContact CB-CB 4.11Å; C11-A16 WeakPolarHBondContact O-CB 3.17Å; G13-A16 WeakPolarHBondContact O-CB 3.49Å; G13-A16 PolarHBondContact O-N 3.06Å; V14-A16 VanDerWaalsContact C-N 3.33Å; V14-A16 PolarHBondContact O-N 3.26Å; A16-Q19 PolarHBondContact O-N 3.26Å; A16-K20 WeakPolarHBondContact O-CB 3.36Å; A16-K20 PolarHBondContact O-N 3.49Å
17	Q	82.5	Confident	77.2	Confident	101 Å²	101	90.1 Å²	90.1	47%	0.472	49%	0.488	S	S	.	.	H	α-helix	trans	-65.5	-41.9	176.8	-66	-178.9	-5.4	0	0	112.2	G13 V14 S15 K20 Q21 K654	G13-Q17 PolarHBondContact O-N 3.45Å; V14-Q17 WeakPolarHBondContact O-CB 3.44Å; V14-Q17 PolarHBondContact O-N 2.96Å; S15-Q17 VanDerWaalsContact C-N 3.33Å; S15-Q17 PolarHBondContact O-N 2.88Å; Q17-K20 PolarHBondContact O-N 2.85Å; Q17-Q21 WeakPolarHBondContact O-CB 3.47Å; Q17-Q21 PolarHBondContact O-N 3.24Å; Q17-K654 VanDerWaalsContact OE1-CE 3.25Å; Q17-K654 VanDerWaalsContact OE1-NZ 3.1Å
18	V	84.4	Confident	79.8	Confident	62 Å²	62	87.5 Å²	87.5	38%	0.376	47%	0.47	S	S	.	.	H	α-helix	trans	-63.9	-43	176.6	173	0	0	0	0	110.6	V14 S15 Q21 R22	V14-V18 HydrophobicContact CG1-CG2 4.42Å; V14-V18 WeakPolarHBondContact O-CG2 3.41Å; V14-V18 PolarHBondContact O-N 3.36Å; S15-V18 PolarHBondContact O-N 3.46Å; V18-Q21 PolarHBondContact O-N 3Å; V18-R22 WeakPolarHBondContact O-CG 3.32Å; V18-R22 PolarHBondContact O-N 3.01Å
19	Q	87.4	Confident	82	Confident	116 Å²	116	84.3 Å²	84.3	54%	0.542	45%	0.451	S	S	.	.	H	α-helix	trans	-62.2	-43.7	175.3	-172	-179.4	26.7	0	0	111.7	C11 S15 A16 Q21 R22 A23	C11-Q19 PolarHBondContact SG-OE1 3.18Å; S15-Q19 PolarHBondContact O-N 2.81Å; A16-Q19 PolarHBondContact O-N 3.26Å; Q19-Q21 VanDerWaalsContact C-N 3.33Å; Q19-Q21 PolarHBondContact O-N 2.84Å; Q19-R22 PolarHBondContact O-N 2.82Å; Q19-A23 WeakPolarHBondContact O-CB 3.39Å; Q19-A23 PolarHBondContact O-N 3.13Å
20	K	85.7	Confident	83.9	Confident	92 Å²	92	84.4 Å²	84.4	40%	0.4	44%	0.435	S	S	.	.	H	α-helix	trans	-58.7	-45.9	175.9	-171.1	-172.4	178.1	-163.5	0	111.1	A16 Q17 R22 A23 K24 E158	A16-K20 WeakPolarHBondContact O-CB 3.36Å; A16-K20 PolarHBondContact O-N 3.49Å; Q17-K20 PolarHBondContact O-N 2.85Å; K20-R22 PolarHBondContact O-N 3Å; K20-A23 PolarHBondContact O-N 2.99Å; K20-K24 PolarHBondContact O-N 2.94Å; K20-E158 IonicContact NZ-OE1 2.68Å; K20-E158 PolarHBondContact NZ-OE1 3.31Å; K20-E158 IonicContact NZ-OE2 2.68Å; K20-E158 PolarHBondContact NZ-OE2 3.04Å
21	Q	85.3	Confident	85.6	Confident	95 Å²	95	78.4 Å²	78.4	44%	0.444	41%	0.413	S	S	.	.	H	α-helix	trans	-60.4	-46.9	179.3	-175.4	61.7	28.2	0	0	111.7	Q17 V18 Q19 A23 K24 E25	Q17-Q21 WeakPolarHBondContact O-CB 3.47Å; Q17-Q21 PolarHBondContact O-N 3.24Å; V18-Q21 PolarHBondContact O-N 3Å; Q19-Q21 VanDerWaalsContact C-N 3.33Å; Q19-Q21 PolarHBondContact O-N 2.84Å; Q21-A23 VanDerWaalsContact C-N 3.34Å; Q21-A23 PolarHBondContact O-N 3.03Å; Q21-K24 WeakPolarHBondContact O-CB 3.44Å; Q21-K24 PolarHBondContact O-N 3.44Å; Q21-E25 PolarHBondContact NE2-OE1 3.35Å; Q21-E25 PolarHBondContact O-N 2.87Å
22	R	89	Confident	86.9	Confident	169 Å²	169	83.3 Å²	83.3	64%	0.638	43%	0.43	S	S	*	.	H	α-helix	trans	-61.2	-41.1	175.7	-71.4	178.5	176.8	-179.5	-1.5	112.3	V18 Q19 K20 K24 E25 L26	V18-R22 WeakPolarHBondContact O-CG 3.32Å; V18-R22 PolarHBondContact O-N 3.01Å; Q19-R22 PolarHBondContact O-N 2.82Å; K20-R22 PolarHBondContact O-N 3Å; R22-K24 VanDerWaalsContact C-N 3.31Å; R22-K24 PolarHBondContact O-N 2.97Å; R22-E25 PolarHBondContact O-N 3.18Å; R22-L26 WeakPolarHBondContact O-CG 3.48Å; R22-L26 PolarHBondContact O-N 3.18Å; R22-L26 VanDerWaalsContact O-N 3.15Å
23	A	89.9	Confident	88	Confident	28 Å²	28	81.9 Å²	81.9	23%	0.231	42%	0.419	C	S	.	.	H	α-helix	trans	-64.2	-38	176.8	0	0	0	0	0	111.8	Q19 K20 Q21 L26 G27 L28	Q19-A23 WeakPolarHBondContact O-CB 3.39Å; Q19-A23 PolarHBondContact O-N 3.13Å; K20-A23 PolarHBondContact O-N 2.99Å; Q21-A23 VanDerWaalsContact C-N 3.34Å; Q21-A23 PolarHBondContact O-N 3.03Å; A23-L26 CarbonylContact O-C 3.58Å; A23-L26 PolarHBondContact O-N 3.01Å; A23-G27 PolarHBondContact O-N 3.27Å; A23-L28 HydrophobicContact CB-CB 4.12Å; A23-L28 HydrophobicContact CB-CD2 3.68Å; A23-L28 WeakPolarHBondContact O-CB 3.35Å; A23-L28 PolarHBondContact O-N 2.87Å
24	K	88.3	Confident	88.9	Confident	50 Å²	50	79.9 Å²	79.9	22%	0.217	40%	0.397	C	S	.	.	H	α-helix	trans	-63.9	-41	175.6	-167.3	-179.9	-173.3	-176.1	0	112.1	K20 Q21 R22 L26 G27 E372	K20-K24 PolarHBondContact O-N 2.94Å; Q21-K24 WeakPolarHBondContact O-CB 3.44Å; Q21-K24 PolarHBondContact O-N 3.44Å; R22-K24 VanDerWaalsContact C-N 3.31Å; R22-K24 PolarHBondContact O-N 2.97Å; K24-L26 PolarHBondContact O-N 3.44Å; K24-G27 WeakPolarHBondContact O-CA 3.38Å; K24-G27 PolarHBondContact O-N 2.79Å; K24-E372 IonicContact NZ-OE1 2.66Å; K24-E372 PolarHBondContact NZ-OE1 3.24Å
25	E	88	Confident	89.7	Confident	132 Å²	132	78.3 Å²	78.3	62%	0.617	39%	0.386	S	S	*	.	H	α-helix	trans	-61.8	-33.1	174	-72.7	163.2	-168.3	0	0	112.2	Q21 R22 G27	Q21-E25 PolarHBondContact NE2-OE1 3.35Å; Q21-E25 PolarHBondContact O-N 2.87Å; R22-E25 PolarHBondContact O-N 3.18Å; E25-G27 PolarHBondContact O-N 2.8Å
26	L	91.5	Very high	90.3	Very high	154 Å²	154	80.1 Å²	80.1	81%	0.806	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	5.6	171.7	-64.7	173.4	0	0	0	113.9	R22 A23 K24	R22-L26 WeakPolarHBondContact O-CG 3.48Å; R22-L26 PolarHBondContact O-N 3.18Å; R22-L26 VanDerWaalsContact O-N 3.15Å; A23-L26 CarbonylContact O-C 3.58Å; A23-L26 PolarHBondContact O-N 3.01Å; K24-L26 PolarHBondContact O-N 3.44Å
27	G	92.5	Very high	90.9	Very high	6 Å²	6	79.9 Å²	79.9	6%	0.062	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	4.1	173.6	0	0	0	0	0	115.7	A23 K24 E25 G29 R30	A23-G27 PolarHBondContact O-N 3.27Å; K24-G27 WeakPolarHBondContact O-CA 3.38Å; K24-G27 PolarHBondContact O-N 2.79Å; E25-G27 PolarHBondContact O-N 2.8Å; G27-G29 PolarHBondContact O-N 3.2Å; G27-R30 WeakPolarHBondContact O-CB 3.34Å; G27-R30 WeakPolarHBondContact O-CG 3.33Å; G27-R30 PolarHBondContact O-N 2.97Å; G27-R30 VanDerWaalsContact O-N 3.15Å
28	L	93.6	Very high	91.6	Very high	53 Å²	53	80.1 Å²	80.1	28%	0.277	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	133.5	171.5	-176.3	68.4	0	0	0	110.1	A23 I35	A23-L28 HydrophobicContact CB-CB 4.12Å; A23-L28 HydrophobicContact CB-CD2 3.68Å; A23-L28 WeakPolarHBondContact O-CB 3.35Å; A23-L28 PolarHBondContact O-N 2.87Å; L28-I35 HydrophobicContact CD1-CG1 4.08Å; L28-I35 HydrophobicContact CD2-CG1 4.27Å; L28-I35 HydrophobicContact CG-CG1 3.81Å
29	G	93.2	Very high	92	Very high	6 Å²	6	80.2 Å²	80.2	6%	0.062	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-0.1	-176.1	0	0	0	0	0	114.1	G27 N33 E158 W159	G27-G29 PolarHBondContact O-N 3.2Å; G29-N33 PolarHBondContact N-O 2.88Å; G29-E158 CarbonylContact O-C 3.57Å; G29-E158 WeakPolarHBondContact O-CA 3.49Å; G29-W159 PolarHBondContact O-N 2.89Å
30	R	92.6	Very high	92.5	Very high	147 Å²	147	76 Å²	76	56%	0.555	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-73.9	158.1	161	-64.9	-179.2	-178.3	-175.7	2.7	109.6	G27 E32 N33 A34	G27-R30 WeakPolarHBondContact O-CB 3.34Å; G27-R30 WeakPolarHBondContact O-CG 3.33Å; G27-R30 PolarHBondContact O-N 2.97Å; G27-R30 VanDerWaalsContact O-N 3.15Å; R30-E32 VanDerWaalsContact C-N 3.28Å; R30-E32 HydrophobicContact CB-CG 4.2Å; R30-E32 PolarHBondContact O-N 3.15Å; R30-N33 CarbonylContact O-C 3.58Å; R30-N33 PolarHBondContact O-N 3.36Å; R30-A34 WeakPolarHBondContact O-CA 3.45Å; R30-A34 PolarHBondContact O-N 2.86Å
31	H	92.2	Very high	93.1	Very high	49 Å²	49	73 Å²	73	23%	0.227	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-43.1	-179.9	179.1	-104.4	0	0	0	113	N33 R133 Q152 W159	H31-N33 VanDerWaalsContact C-N 3.25Å; H31-N33 PolarHBondContact O-N 3.29Å; H31-R133 VanDerWaalsContact CG-NH2 3.31Å; H31-R133 WeakPolarHBondContact NE2-CA 3.31Å; H31-R133 WeakPolarHBondContact NE2-CB 3.27Å; H31-R133 PolarHBondContact NE2-O 2.77Å; H31-R133 VanDerWaalsContact NE2-O 3.11Å; H31-Q152 PolarHBondContact CD2-OE1 2.76Å; H31-Q152 PolarHBondContact NE2-OE1 3.46Å; H31-W159 HydrophobicContact CB-CD2 4.09Å; H31-W159 HydrophobicContact CB-CG 3.9Å; H31-W159 AromaticContact CD2-CD2 3.72Å; H31-W159 AromaticContact CD2-CE2 3.97Å; H31-W159 AromaticContact CD2-CE3 3.74Å; H31-W159 AromaticContact CD2-CZ3 3.99Å
32	E	91.3	Very high	93.7	Very high	162 Å²	162	69.1 Å²	69.1	76%	0.757	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.3	177	65.1	-160.3	-179.6	0	0	114.7	R30	R30-E32 VanDerWaalsContact C-N 3.28Å; R30-E32 HydrophobicContact CB-CG 4.2Å; R30-E32 PolarHBondContact O-N 3.15Å
33	N	94.9	Very high	94.1	Very high	80 Å²	80	66.3 Å²	66.3	43%	0.428	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-138.6	56.2	-179.9	-171.6	23.1	0	0	0	109.8	G29 R30 H31	G29-N33 PolarHBondContact N-O 2.88Å; R30-N33 CarbonylContact O-C 3.58Å; R30-N33 PolarHBondContact O-N 3.36Å; H31-N33 VanDerWaalsContact C-N 3.25Å; H31-N33 PolarHBondContact O-N 3.29Å
34	A	96.5	Very high	94.5	Very high	12 Å²	12	70.7 Å²	70.7	10%	0.099	36%	0.355	C	S	.	.			trans	-62.8	146.1	-175.3	0	0	0	0	0	111.7	R30 K36 W159 D161	R30-A34 WeakPolarHBondContact O-CA 3.45Å; R30-A34 PolarHBondContact O-N 2.86Å; A34-K36 PolarHBondContact O-N 3.33Å; A34-W159 CarbonylContact C-O 3.53Å; A34-W159 WeakPolarHBondContact CA-O 3.35Å; A34-W159 HydrophobicContact CB-CB 4.08Å; A34-D161 HydrophobicContact CB-CB 4.11Å
35	I	96.8	Very high	94.9	Very high	35 Å²	35	69.6 Å²	69.6	18%	0.179	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.2	176.7	-65.6	168.1	0	0	0	108.7	L28 Y37 E158 W159 V160 D161	L28-I35 HydrophobicContact CD1-CG1 4.08Å; L28-I35 HydrophobicContact CD2-CG1 4.27Å; L28-I35 HydrophobicContact CG-CG1 3.81Å; I35-Y37 PolarHBondContact O-N 2.97Å; I35-Y37 VanDerWaalsContact O-N 3.14Å; I35-E158 HydrophobicContact CD1-CB 3.8Å; I35-E158 VanDerWaalsContact CD1-CD 3.48Å; I35-E158 HydrophobicContact CD1-CG 4.15Å; I35-E158 WeakPolarHBondContact CD1-OE2 3.38Å; I35-W159 PolarHBondContact N-O 3.24Å; I35-V160 HydrophobicContact CB-CG2 4.34Å; I35-V160 CarbonylContact O-C 3.56Å; I35-V160 VanDerWaalsContact O-CA 3.3Å; I35-V160 WeakPolarHBondContact O-CA 3.13Å; I35-V160 WeakPolarHBondContact O-CG1 3.3Å; I35-D161 PolarHBondContact O-N 3.39Å
36	K	97.2	Very high	95.4	Very high	101 Å²	101	65.7 Å²	65.7	44%	0.439	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	108.6	174.2	-64.1	176.1	-170.6	177.6	0	109.9	A34 L38 G39 Q40 D41	A34-K36 PolarHBondContact O-N 3.33Å; K36-L38 PolarHBondContact O-N 2.65Å; K36-G39 PolarHBondContact O-N 3.1Å; K36-Q40 WeakPolarHBondContact CB-O 3.42Å; K36-D41 HydrophobicContact CD-CB 4.05Å; K36-D41 VanDerWaalsContact CE-OD2 3.23Å; K36-D41 WeakPolarHBondContact CE-OD2 3.48Å; K36-D41 IonicContact NZ-OD2 2.75Å; K36-D41 PolarHBondContact NZ-OD2 3.3Å
37	Y	97.2	Very high	95.7	Very high	28 Å²	28	60.3 Å²	60.3	11%	0.11	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-60.8	126.3	-177.6	-169.7	-114.7	0	0	0	110.3	I35 G39 Q40 V160 D161 V162 K197 V198	I35-Y37 PolarHBondContact O-N 2.97Å; I35-Y37 VanDerWaalsContact O-N 3.14Å; Y37-G39 PolarHBondContact O-N 2.8Å; Y37-Q40 PolarHBondContact O-N 3.01Å; Y37-Q40 VanDerWaalsContact O-N 3.08Å; Y37-V160 HydrophobicContact CD2-CG1 3.82Å; Y37-V160 HydrophobicContact CG-CG1 4.13Å; Y37-D161 VanDerWaalsContact CB-O 3.24Å; Y37-D161 WeakPolarHBondContact CB-O 3.43Å; Y37-D161 PolarHBondContact N-O 3.31Å; Y37-V162 HydrophobicContact CD1-CG1 4.34Å; Y37-V162 HydrophobicContact CG-CG2 4.44Å; Y37-K197 HydrophobicContact CE1-CG 4.05Å; Y37-V198 HydrophobicContact CD1-CG2 4.5Å; Y37-V198 HydrophobicContact CD2-CG2 4.48Å; Y37-V198 HydrophobicContact CE1-CG2 4.38Å; Y37-V198 HydrophobicContact CE2-CG1 4.49Å; Y37-V198 HydrophobicContact CE2-CG2 4.34Å
38	L	95.4	Very high	96	Very high	105 Å²	105	67.4 Å²	67.4	55%	0.55	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	54.9	24.8	-176.8	-55.4	173.5	0	0	0	113.8	K36 Q40 A60	K36-L38 PolarHBondContact O-N 2.65Å; L38-Q40 PolarHBondContact O-N 3.23Å; L38-A60 HydrophobicContact CD1-CB 3.55Å
39	G	94.2	Very high	96.2	Very high	64 Å²	64	65.4 Å²	65.4	66%	0.66	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	70.2	9.7	-178.9	0	0	0	0	0	114.7	K36 Y37	K36-G39 PolarHBondContact O-N 3.1Å; Y37-G39 PolarHBondContact O-N 2.8Å
40	Q	97.8	Very high	96.4	Very high	27 Å²	27	69.1 Å²	69.1	13%	0.126	34%	0.342	C	S	.	.			trans	-78.2	123.9	177.9	-69.5	177.3	-48.9	0	0	110.4	K36 Y37 L38 L45 D58 V163	K36-Q40 WeakPolarHBondContact CB-O 3.42Å; Y37-Q40 PolarHBondContact O-N 3.01Å; Y37-Q40 VanDerWaalsContact O-N 3.08Å; L38-Q40 PolarHBondContact O-N 3.23Å; Q40-L45 HydrophobicContact CB-CD1 3.77Å; Q40-L45 HydrophobicContact CG-CD1 4.1Å; Q40-D58 PolarHBondContact NE2-OD1 3.44Å; Q40-V163 HydrophobicContact CB-CB 4.25Å; Q40-V163 HydrophobicContact CB-CG2 4.14Å
41	D	97.8	Very high	96.7	Very high	29 Å²	29	70 Å²	70	16%	0.155	35%	0.353	C	S	.	.			trans	-105.4	116.5	177.1	-177.9	-62.8	0	0	0	109.4	K36 E43 Q44 L45	K36-D41 HydrophobicContact CD-CB 4.05Å; K36-D41 VanDerWaalsContact CE-OD2 3.23Å; K36-D41 WeakPolarHBondContact CE-OD2 3.48Å; K36-D41 IonicContact NZ-OD2 2.75Å; K36-D41 PolarHBondContact NZ-OD2 3.3Å; D41-E43 PolarHBondContact O-N 3.37Å; D41-E43 PolarHBondContact OD1-N 3.24Å; D41-E43 VanDerWaalsContact OD1-N 3.1Å; D41-Q44 HydrophobicContact CB-CB 4.04Å; D41-Q44 HydrophobicContact CB-CG 4.19Å; D41-Q44 PolarHBondContact O-N 2.9Å; D41-Q44 WeakPolarHBondContact OD1-CG 3.35Å; D41-Q44 PolarHBondContact OD1-N 3.1Å; D41-L45 VanDerWaalsContact O-CB 3.3Å; D41-L45 WeakPolarHBondContact O-CB 3.16Å; D41-L45 WeakPolarHBondContact O-CG 3.25Å; D41-L45 PolarHBondContact O-N 3.15Å
42	Y	98.2	Very high	96.9	Very high	15 Å²	15	71 Å²	71	6%	0.059	37%	0.365	C	S	.	.	H	α-helix	trans	-54.5	-51.7	-177	169.1	-107.6	0	0	0	112.5	L45 R46 I148 H150	Y42-L45 PolarHBondContact O-N 2.8Å; Y42-R46 WeakPolarHBondContact O-CB 3.25Å; Y42-R46 PolarHBondContact O-N 3.42Å; Y42-R46 WeakPolarHBondContact OH-CD 3.22Å; Y42-I148 HydrophobicContact CD2-CD1 4.17Å; Y42-I148 HydrophobicContact CD2-CG1 4.02Å; Y42-I148 HydrophobicContact CE2-CG1 4.21Å; Y42-I148 HydrophobicContact CE2-CG2 4.15Å; Y42-H150 AromaticContact CD1-NE2 4Å; Y42-H150 HydrophobicContact CD2-CB 3.86Å; Y42-H150 AromaticContact CD2-CG 3.96Å; Y42-H150 HydrophobicContact CG-CB 3.98Å; Y42-H150 AromaticContact CG-CG 3.71Å; Y42-H150 AromaticContact CG-ND1 3.93Å
43	E	97	Very high	97.2	Very high	110 Å²	110	66.7 Å²	66.7	51%	0.514	36%	0.364	S	S	.	.	H	α-helix	trans	-67.9	-41.2	-174.7	-67.2	-64.2	175.3	0	0	111.6	D41 R46 A47	D41-E43 PolarHBondContact O-N 3.37Å; D41-E43 PolarHBondContact OD1-N 3.24Å; D41-E43 VanDerWaalsContact OD1-N 3.1Å; E43-R46 IonicContact OE2-NH1 2.83Å; E43-A47 WeakPolarHBondContact O-CB 3.45Å; E43-A47 PolarHBondContact O-N 2.88Å
44	Q	97.8	Very high	97.3	Very high	120 Å²	120	66.5 Å²	66.5	56%	0.561	37%	0.366	S	S	*	.	H	α-helix	trans	-66.3	-43.2	176.6	-69.4	-178.3	33.6	0	0	112.3	D41 R48	D41-Q44 HydrophobicContact CB-CB 4.04Å; D41-Q44 HydrophobicContact CB-CG 4.19Å; D41-Q44 PolarHBondContact O-N 2.9Å; D41-Q44 WeakPolarHBondContact OD1-CG 3.35Å; D41-Q44 PolarHBondContact OD1-N 3.1Å; Q44-R48 WeakPolarHBondContact O-CB 3.41Å; Q44-R48 PolarHBondContact O-N 3.39Å
45	L	98.3	Very high	97.4	Very high	27 Å²	27	69.6 Å²	69.6	14%	0.141	38%	0.38	C	S	.	.	H	α-helix	trans	-67.5	-42.1	179.2	-71.3	171.5	0	0	0	111.2	Q40 D41 Y42 R48 C49 F56 I148 V163	Q40-L45 HydrophobicContact CB-CD1 3.77Å; Q40-L45 HydrophobicContact CG-CD1 4.1Å; D41-L45 VanDerWaalsContact O-CB 3.3Å; D41-L45 WeakPolarHBondContact O-CB 3.16Å; D41-L45 WeakPolarHBondContact O-CG 3.25Å; D41-L45 PolarHBondContact O-N 3.15Å; Y42-L45 PolarHBondContact O-N 2.8Å; L45-R48 PolarHBondContact O-N 3.43Å; L45-C49 WeakPolarHBondContact O-CB 3.27Å; L45-C49 PolarHBondContact O-N 2.9Å; L45-C49 PolarHBondContact O-SG 2.9Å; L45-F56 HydrophobicContact CB-CE2 4.42Å; L45-F56 HydrophobicContact CD1-CE2 3.96Å; L45-F56 HydrophobicContact CD1-CZ 4.06Å; L45-F56 HydrophobicContact CD2-CE2 4.15Å; L45-F56 HydrophobicContact CG-CE2 4.41Å; L45-I148 HydrophobicContact CB-CD1 3.55Å; L45-I148 HydrophobicContact CD1-CD1 4.48Å; L45-V163 HydrophobicContact CD1-CG1 4.25Å
46	R	98.1	Very high	97.5	Very high	50 Å²	50	68.7 Å²	68.7	19%	0.189	38%	0.375	C	S	.	.	H	α-helix	trans	-62.2	-49.1	175	-180	174.3	171.7	-129.3	9.4	111.4	Y42 E43 R48 C49 L50 G144 A146 I148	Y42-R46 WeakPolarHBondContact O-CB 3.25Å; Y42-R46 PolarHBondContact O-N 3.42Å; Y42-R46 WeakPolarHBondContact OH-CD 3.22Å; E43-R46 IonicContact OE2-NH1 2.83Å; R46-R48 VanDerWaalsContact C-N 3.32Å; R46-R48 PolarHBondContact O-N 3.37Å; R46-C49 PolarHBondContact O-N 2.98Å; R46-L50 HydrophobicContact CG-CD1 3.99Å; R46-L50 HydrophobicContact CG-CG 4.41Å; R46-L50 WeakPolarHBondContact O-CG 3.1Å; R46-L50 PolarHBondContact O-N 3.34Å; R46-G144 PolarHBondContact NE-O 3.47Å; R46-G144 PolarHBondContact NH2-O 2.73Å; R46-G144 VanDerWaalsContact NH2-O 3.11Å; R46-A146 HydrophobicContact CG-CB 4.31Å; R46-I148 HydrophobicContact CB-CG2 3.8Å; R46-I148 HydrophobicContact CG-CG2 3.95Å
47	A	97.8	Very high	97.5	Very high	41 Å²	41	72 Å²	72	34%	0.339	39%	0.385	S	S	.	.	H	α-helix	trans	-59.2	-42.7	177.7	0	0	0	0	0	111.9	E43 L50 Q51	E43-A47 WeakPolarHBondContact O-CB 3.45Å; E43-A47 PolarHBondContact O-N 2.88Å; A47-L50 PolarHBondContact O-N 3.05Å; A47-Q51 WeakPolarHBondContact O-CB 3.49Å; A47-Q51 VanDerWaalsContact O-CG 3.24Å; A47-Q51 WeakPolarHBondContact O-CG 3.33Å; A47-Q51 PolarHBondContact O-N 3.5Å
48	R	98	Very high	97.6	Very high	154 Å²	154	70.6 Å²	70.6	58%	0.581	38%	0.38	S	S	*	.	H	α-helix	trans	-60.2	-47.1	175.9	-172.9	-176	-60.7	171.9	2.3	111.7	Q44 L45 R46 Q51 S52	Q44-R48 WeakPolarHBondContact O-CB 3.41Å; Q44-R48 PolarHBondContact O-N 3.39Å; L45-R48 PolarHBondContact O-N 3.43Å; R46-R48 VanDerWaalsContact C-N 3.32Å; R46-R48 PolarHBondContact O-N 3.37Å; R48-Q51 PolarHBondContact O-N 3.39Å; R48-S52 PolarHBondContact O-N 3.25Å; R48-S52 PolarHBondContact O-OG 3.4Å
49	C	98.1	Very high	97.7	Very high	12 Å²	12	74.4 Å²	74.4	8%	0.081	40%	0.395	C	S	.	.	H	α-helix	trans	-64.7	-40.4	179.6	-69.6	0	0	0	0	112.5	L45 R46 S52 G53 T54 A146	L45-C49 WeakPolarHBondContact O-CB 3.27Å; L45-C49 PolarHBondContact O-N 2.9Å; L45-C49 PolarHBondContact O-SG 2.9Å; R46-C49 PolarHBondContact O-N 2.98Å; C49-S52 PolarHBondContact O-N 2.6Å; C49-S52 PolarHBondContact O-OG 2.67Å; C49-G53 PolarHBondContact O-N 3.07Å; C49-T54 VanDerWaalsContact CB-O 3.3Å; C49-T54 WeakPolarHBondContact CB-O 3.32Å; C49-T54 PolarHBondContact O-N 3.07Å; C49-T54 VanDerWaalsContact O-N 3.08Å; C49-A146 HydrophobicContact CB-CB 3.76Å
50	L	97.5	Very high	97.8	Very high	83 Å²	83	73.4 Å²	73.4	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-63.1	-41.7	174.1	-70.8	172.4	0	0	0	111.7	R46 A47 G53 A146	R46-L50 HydrophobicContact CG-CD1 3.99Å; R46-L50 HydrophobicContact CG-CG 4.41Å; R46-L50 WeakPolarHBondContact O-CG 3.1Å; R46-L50 PolarHBondContact O-N 3.34Å; A47-L50 PolarHBondContact O-N 3.05Å; L50-G53 PolarHBondContact O-N 3.26Å; L50-A146 HydrophobicContact CD2-CB 4.03Å; L50-A146 HydrophobicContact CG-CB 4.07Å
51	Q	97.7	Very high	97.8	Very high	167 Å²	167	72.5 Å²	72.5	78%	0.78	38%	0.376	S	S	*	.	H	α-helix	trans	-66.8	-38.9	177.7	-74.1	171.2	11.3	0	0	112.7	A47 R48 G53	A47-Q51 WeakPolarHBondContact O-CB 3.49Å; A47-Q51 VanDerWaalsContact O-CG 3.24Å; A47-Q51 WeakPolarHBondContact O-CG 3.33Å; A47-Q51 PolarHBondContact O-N 3.5Å; R48-Q51 PolarHBondContact O-N 3.39Å; Q51-G53 VanDerWaalsContact C-N 3.35Å
52	S	97.5	Very high	97.8	Very high	69 Å²	69	73.2 Å²	73.2	48%	0.483	38%	0.382	S	S	.	.	H	α-helix	trans	-82.6	-9.6	178.2	56.3	0	0	0	0	113.9	R48 C49 T54	R48-S52 PolarHBondContact O-N 3.25Å; R48-S52 PolarHBondContact O-OG 3.4Å; C49-S52 PolarHBondContact O-N 2.6Å; C49-S52 PolarHBondContact O-OG 2.67Å; S52-T54 VanDerWaalsContact C-N 3.25Å; S52-T54 PolarHBondContact O-N 2.84Å; S52-T54 PolarHBondContact OG-OG1 3.1Å
53	G	97	Very high	97.8	Very high	72 Å²	72	73.7 Å²	73.7	74%	0.742	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	28	-175.1	0	0	0	0	0	113.3	C49 L50 Q51	C49-G53 PolarHBondContact O-N 3.07Å; L50-G53 PolarHBondContact O-N 3.26Å; Q51-G53 VanDerWaalsContact C-N 3.35Å
54	T	97.7	Very high	97.7	Very high	76 Å²	76	70.8 Å²	70.8	47%	0.466	38%	0.376	S	S	.	.			trans	-116.1	152.5	-178.1	57.9	0	0	0	0	111	C49 S52	C49-T54 VanDerWaalsContact CB-O 3.3Å; C49-T54 WeakPolarHBondContact CB-O 3.32Å; C49-T54 PolarHBondContact O-N 3.07Å; C49-T54 VanDerWaalsContact O-N 3.08Å; S52-T54 VanDerWaalsContact C-N 3.25Å; S52-T54 PolarHBondContact O-N 2.84Å; S52-T54 PolarHBondContact OG-OG1 3.1Å
55	L	98.4	Very high	97.6	Very high	76 Å²	76	67.7 Å²	67.7	40%	0.398	37%	0.367	S	S	.	.			trans	-83.6	138.7	171.2	-58.7	178	0	0	0	110.6	R57 Y145	L55-R57 PolarHBondContact O-N 3.02Å; L55-Y145 HydrophobicContact CD1-CE1 4.47Å; L55-Y145 HydrophobicContact CD2-CD1 4.1Å; L55-Y145 HydrophobicContact CD2-CE1 3.53Å
56	F	98.5	Very high	97.5	Very high	16 Å²	16	72 Å²	72	7%	0.07	39%	0.386	C	S	.	.			trans	-59.4	136.1	177.2	179.8	-117.2	0	0	0	110.8	L45 D58 R87 A146 I148 V163 D165	L45-F56 HydrophobicContact CB-CE2 4.42Å; L45-F56 HydrophobicContact CD1-CE2 3.96Å; L45-F56 HydrophobicContact CD1-CZ 4.06Å; L45-F56 HydrophobicContact CD2-CE2 4.15Å; L45-F56 HydrophobicContact CG-CE2 4.41Å; F56-D58 HydrophobicContact CE1-CB 3.77Å; F56-D58 HydrophobicContact CZ-CB 4.1Å; F56-R87 PolarHBondContact O-NH1 2.79Å; F56-R87 VanDerWaalsContact O-NH1 3.1Å; F56-R87 PolarHBondContact O-NH2 3.43Å; F56-A146 WeakPolarHBondContact CB-O 2.77Å; F56-A146 PolarHBondContact N-O 3.15Å; F56-I148 HydrophobicContact CB-CB 3.72Å; F56-I148 HydrophobicContact CB-CD1 4.35Å; F56-I148 HydrophobicContact CB-CG1 4.31Å; F56-I148 HydrophobicContact CD1-CB 3.84Å; F56-I148 HydrophobicContact CD1-CD1 3.85Å; F56-I148 HydrophobicContact CD1-CG1 3.61Å; F56-I148 HydrophobicContact CD2-CD1 4.22Å; F56-I148 HydrophobicContact CE1-CD1 4.19Å; F56-I148 HydrophobicContact CE1-CG1 4.13Å; F56-I148 HydrophobicContact CG-CB 3.99Å; F56-I148 HydrophobicContact CG-CD1 3.88Å; F56-I148 HydrophobicContact CG-CG1 4.01Å; F56-V163 HydrophobicContact CE1-CG1 3.85Å; F56-V163 HydrophobicContact CZ-CG1 4.19Å; F56-D165 HydrophobicContact CD1-CB 3.68Å; F56-D165 HydrophobicContact CE1-CB 4.23Å; F56-D165 WeakPolarHBondContact O-CB 3.12Å
57	R	98.1	Very high	97.4	Very high	170 Å²	170	70 Å²	70	64%	0.642	38%	0.38	S	S	*	.			trans	-125.8	119.7	173	-172.8	176.5	-176.7	172.8	0.5	107.5	L55 E59 D165	L55-R57 PolarHBondContact O-N 3.02Å; R57-E59 PolarHBondContact O-N 2.88Å; R57-E59 VanDerWaalsContact O-N 3.16Å; R57-D165 WeakPolarHBondContact CA-OD2 3.39Å
58	D	98.2	Very high	97.4	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.364	C	S	.	.			trans	-80.6	99.6	-172.3	-169.8	3.4	0	0	0	110.9	Q40 F56 A60 F61 P62 D165 K197	Q40-D58 PolarHBondContact NE2-OD1 3.44Å; F56-D58 HydrophobicContact CE1-CB 3.77Å; F56-D58 HydrophobicContact CZ-CB 4.1Å; D58-A60 PolarHBondContact O-N 2.88Å; D58-A60 WeakPolarHBondContact OD1-CB 3.4Å; D58-A60 PolarHBondContact OD1-N 3.43Å; D58-A60 VanDerWaalsContact OD1-N 3.14Å; D58-F61 CarbonylContact O-C 3.54Å; D58-F61 VanDerWaalsContact O-C 3.28Å; D58-F61 PolarHBondContact O-N 2.92Å; D58-P62 WeakPolarHBondContact O-CA 3.1Å; D58-D165 HydrophobicContact CB-CB 4.27Å; D58-D165 PolarHBondContact N-OD2 2.68Å; D58-K197 VanDerWaalsContact CG-NZ 3.32Å; D58-K197 IonicContact OD1-NZ 2.63Å; D58-K197 PolarHBondContact OD1-NZ 3.24Å; D58-K197 WeakPolarHBondContact OD2-CE 3.23Å; D58-K197 IonicContact OD2-NZ 2.63Å; D58-K197 PolarHBondContact OD2-NZ 3.41Å
59	E	97.1	Very high	97.3	Very high	185 Å²	185	61 Å²	61	86%	0.864	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-24.3	177.4	-61.7	-173.7	168.1	0	0	112.7	R57	R57-E59 PolarHBondContact O-N 2.88Å; R57-E59 VanDerWaalsContact O-N 3.16Å
60	A	96.7	Very high	97.1	Very high	43 Å²	43	63.9 Å²	63.9	36%	0.355	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-18.9	179.9	0	0	0	0	0	113.4	L38 D58	L38-A60 HydrophobicContact CD1-CB 3.55Å; D58-A60 PolarHBondContact O-N 2.88Å; D58-A60 WeakPolarHBondContact OD1-CB 3.4Å; D58-A60 PolarHBondContact OD1-N 3.43Å; D58-A60 VanDerWaalsContact OD1-N 3.14Å
61	F	98	Very high	96.9	Very high	7 Å²	7	67.1 Å²	67.1	3%	0.031	36%	0.36	C	S	.	.	S	Bend	trans	-141.6	68.2	175.5	-161.7	-110.5	0	0	0	110.2	D58 S67 W85 K193 A196 K197 Y202	D58-F61 CarbonylContact O-C 3.54Å; D58-F61 VanDerWaalsContact O-C 3.28Å; D58-F61 PolarHBondContact O-N 2.92Å; F61-S67 WeakPolarHBondContact CZ-O 3.49Å; F61-W85 HydrophobicContact CE1-CH2 4.45Å; F61-K193 HydrophobicContact CD1-CG 4.44Å; F61-K193 HydrophobicContact CE1-CG 4.2Å; F61-A196 HydrophobicContact CZ-CB 4.2Å; F61-K197 HydrophobicContact CB-CB 4.23Å; F61-K197 HydrophobicContact CB-CD 3.69Å; F61-K197 HydrophobicContact CB-CG 3.8Å; F61-K197 HydrophobicContact CD1-CB 4.09Å; F61-K197 HydrophobicContact CD2-CB 3.87Å; F61-K197 HydrophobicContact CD2-CG 3.98Å; F61-K197 HydrophobicContact CE1-CB 4.39Å; F61-K197 HydrophobicContact CE2-CB 4.2Å; F61-K197 HydrophobicContact CG-CB 3.8Å; F61-K197 HydrophobicContact CG-CD 4.2Å; F61-K197 HydrophobicContact CG-CG 3.88Å; F61-K197 HydrophobicContact CZ-CB 4.44Å; F61-Y202 HydrophobicContact CE1-CD2 4.48Å; F61-Y202 HydrophobicContact CE1-CE2 4.13Å; F61-Y202 HydrophobicContact CZ-CD2 4.33Å; F61-Y202 HydrophobicContact CZ-CE2 4.42Å
62	P	97.9	Very high	96.6	Very high	45 Å²	45	63 Å²	63	29%	0.292	34%	0.343	S	S	.	.			trans	-68.5	156.5	-168.3	25.4	-31.4	0	0	0	111.8	D58 V64 S67	D58-P62 WeakPolarHBondContact O-CA 3.1Å; P62-V64 HydrophobicContact CB-CG1 4.21Å; P62-V64 HydrophobicContact CB-CG2 4.3Å; P62-V64 HydrophobicContact CG-CG1 4.49Å; P62-V64 HydrophobicContact CG-CG2 3.82Å; P62-V64 PolarHBondContact O-N 3.06Å; P62-S67 WeakPolarHBondContact O-CB 3.24Å; P62-S67 PolarHBondContact O-OG 3.4Å
63	P	97.4	Very high	96.5	Very high	25 Å²	25	60.5 Å²	60.5	16%	0.162	32%	0.324	C	S	.	.	S	Bend	trans	-74.9	64.9	178.8	32.6	-38.8	0	0	0	111.9	W85 L167	P63-W85 HydrophobicContact CB-CB 3.6Å; P63-W85 HydrophobicContact CB-CD2 3.52Å; P63-W85 HydrophobicContact CB-CE3 3.95Å; P63-W85 HydrophobicContact CB-CG 3.36Å; P63-L167 HydrophobicContact CB-CD1 4.06Å; P63-L167 HydrophobicContact CG-CD1 3.88Å
64	V	96.5	Very high	96.3	Very high	48 Å²	48	57.1 Å²	57.1	29%	0.291	29%	0.29	S	S	.	.	S	Bend	trans	-130	161.1	-174.9	-59.9	0	0	0	0	110.9	P62 Q66 S67	P62-V64 HydrophobicContact CB-CG1 4.21Å; P62-V64 HydrophobicContact CB-CG2 4.3Å; P62-V64 HydrophobicContact CG-CG1 4.49Å; P62-V64 HydrophobicContact CG-CG2 3.82Å; P62-V64 PolarHBondContact O-N 3.06Å; V64-Q66 HydrophobicContact CG2-CB 4.22Å; V64-Q66 PolarHBondContact O-N 3.36Å; V64-Q66 VanDerWaalsContact O-N 3.16Å; V64-S67 WeakPolarHBondContact O-CB 3.09Å; V64-S67 PolarHBondContact O-N 3.46Å
65	P	95.4	Very high	96	Very high	56 Å²	56	56.6 Å²	56.6	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-57.7	-29.6	-178.1	-27.3	36.4	0	0	0	114.9	S67 L68 G69 P75	P65-S67 PolarHBondContact O-N 2.94Å; P65-L68 WeakPolarHBondContact O-CB 3.37Å; P65-L68 PolarHBondContact O-N 3.34Å; P65-G69 PolarHBondContact O-N 3.27Å; P65-G69 VanDerWaalsContact O-N 3.08Å; P65-P75 HydrophobicContact CB-CB 4.04Å; P65-P75 HydrophobicContact CB-CG 4.02Å
66	Q	95	Very high	95.7	Very high	118 Å²	118	60.9 Å²	60.9	55%	0.551	31%	0.31	S	S	*	.	H	α-helix	trans	-64.8	-26.7	177.7	-66.3	78.4	3.6	0	0	113.1	V64 L68	V64-Q66 HydrophobicContact CG2-CB 4.22Å; V64-Q66 PolarHBondContact O-N 3.36Å; V64-Q66 VanDerWaalsContact O-N 3.16Å; Q66-L68 VanDerWaalsContact C-N 3.31Å
67	S	97.3	Very high	95.5	Very high	6 Å²	6	61.1 Å²	61.1	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-76.2	-23.4	174.3	-55.4	0	0	0	0	111.7	F61 P62 V64 P65 S201 Y202	F61-S67 WeakPolarHBondContact CZ-O 3.49Å; P62-S67 WeakPolarHBondContact O-CB 3.24Å; P62-S67 PolarHBondContact O-OG 3.4Å; V64-S67 WeakPolarHBondContact O-CB 3.09Å; V64-S67 PolarHBondContact O-N 3.46Å; P65-S67 PolarHBondContact O-N 2.94Å; S67-S201 VanDerWaalsContact O-CA 3.28Å; S67-S201 WeakPolarHBondContact O-CA 3.23Å; S67-S201 WeakPolarHBondContact O-CB 3.17Å; S67-Y202 PolarHBondContact O-N 2.78Å
68	L	97.5	Very high	95.3	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-75.7	-44.5	171.1	-58.9	175.9	0	0	0	110.7	P65 Q66 L73 T80 I83 W85 P169 F177 Y202 E203	P65-L68 WeakPolarHBondContact O-CB 3.37Å; P65-L68 PolarHBondContact O-N 3.34Å; Q66-L68 VanDerWaalsContact C-N 3.31Å; L68-L73 CarbonylContact C-O 3.6Å; L68-L73 HydrophobicContact CB-CB 4.37Å; L68-L73 WeakPolarHBondContact CB-O 3.44Å; L68-T80 HydrophobicContact CB-CG2 4.43Å; L68-T80 HydrophobicContact CD1-CG2 3.95Å; L68-I83 HydrophobicContact CD1-CB 4.44Å; L68-I83 HydrophobicContact CD1-CD1 4.06Å; L68-I83 HydrophobicContact CD1-CG2 4.07Å; L68-W85 HydrophobicContact CD2-CH2 4.25Å; L68-W85 HydrophobicContact CD2-CZ2 3.64Å; L68-W85 HydrophobicContact CG-CZ2 4.01Å; L68-P169 HydrophobicContact CD2-CB 3.99Å; L68-P169 HydrophobicContact CD2-CG 3.65Å; L68-F177 HydrophobicContact CD2-CE2 3.9Å; L68-F177 HydrophobicContact CD2-CZ 4.17Å; L68-Y202 HydrophobicContact CD2-CD2 4.18Å; L68-Y202 WeakPolarHBondContact O-CB 3.5Å; L68-Y202 PolarHBondContact O-N 3.21Å; L68-E203 WeakPolarHBondContact O-CB 3.44Å; L68-E203 PolarHBondContact O-N 2.89Å
69	G	96.1	Very high	95	Very high	2 Å²	2	63.8 Å²	63.8	2%	0.021	34%	0.343	C	S	.	.			trans	174.5	-167.7	-177.5	0	0	0	0	0	115.8	P65 L73 E203	P65-G69 PolarHBondContact O-N 3.27Å; P65-G69 VanDerWaalsContact O-N 3.08Å; G69-L73 WeakPolarHBondContact CA-O 3.44Å; G69-L73 PolarHBondContact N-O 3.33Å; G69-E203 VanDerWaalsContact CA-OE2 3.25Å; G69-E203 WeakPolarHBondContact CA-OE2 3.46Å
70	F	93.4	Very high	94.9	Very high	74 Å²	74	55.8 Å²	55.8	33%	0.325	31%	0.307	S	S	.	.	S	Bend	trans	-134.7	-16.1	-172.9	50.1	-96.2	0	0	0	113.6	E203 R432 R433	F70-E203 HydrophobicContact CE1-CB 4.18Å; F70-E203 HydrophobicContact CE1-CG 4.35Å; F70-E203 HydrophobicContact CZ-CG 4.29Å; F70-E203 PolarHBondContact N-OE2 3.29Å; F70-R432 HydrophobicContact CE1-CB 4.46Å; F70-R432 HydrophobicContact CE2-CB 4.38Å; F70-R432 HydrophobicContact CZ-CB 3.73Å; F70-R433 HydrophobicContact CB-CB 4.24Å; F70-R433 HydrophobicContact CD1-CB 3.81Å; F70-R433 HydrophobicContact CD2-CB 4.35Å; F70-R433 HydrophobicContact CE1-CB 4.26Å; F70-R433 HydrophobicContact CG-CB 3.87Å
71	K	92.7	Very high	94.7	Very high	150 Å²	150	62.7 Å²	62.7	65%	0.652	33%	0.325	S	S	*	.	S	Bend	trans	-136.5	-82.5	178.4	-179.5	-168.8	174.4	-168	0	111.1	L73 G74 E203	K71-L73 VanDerWaalsContact C-N 3.32Å; K71-L73 PolarHBondContact O-N 2.88Å; K71-G74 PolarHBondContact O-N 3.07Å; K71-E203 WeakPolarHBondContact CB-OE1 3.47Å; K71-E203 PolarHBondContact N-OE1 3.39Å; K71-E203 PolarHBondContact N-OE2 3.5Å
72	D	92.6	Very high	94.5	Very high	80 Å²	80	64.4 Å²	64.4	43%	0.428	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-27.1	-176.7	-69.3	-20.8	0	0	0	112	S77 E203	D72-S77 WeakPolarHBondContact O-CB 3.34Å; D72-S77 PolarHBondContact O-OG 3.48Å; D72-E203 VanDerWaalsContact N-CD 3.33Å; D72-E203 PolarHBondContact N-OE1 3.14Å; D72-E203 PolarHBondContact N-OE2 3.17Å
73	L	95.3	Very high	94.4	Very high	18 Å²	18	63.6 Å²	63.6	9%	0.094	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	22.3	170.1	-57.3	177.4	0	0	0	111.8	L68 G69 K71 K79 T80 L112 F177 E203	L68-L73 CarbonylContact C-O 3.6Å; L68-L73 HydrophobicContact CB-CB 4.37Å; L68-L73 WeakPolarHBondContact CB-O 3.44Å; G69-L73 WeakPolarHBondContact CA-O 3.44Å; G69-L73 PolarHBondContact N-O 3.33Å; K71-L73 VanDerWaalsContact C-N 3.32Å; K71-L73 PolarHBondContact O-N 2.88Å; L73-K79 HydrophobicContact CD2-CB 4.09Å; L73-K79 HydrophobicContact CD2-CD 4.45Å; L73-T80 HydrophobicContact CB-CG2 3.92Å; L73-T80 HydrophobicContact CD2-CG2 4.04Å; L73-T80 WeakPolarHBondContact O-CG2 3.18Å; L73-L112 HydrophobicContact CD1-CD1 3.8Å; L73-F177 HydrophobicContact CD1-CE1 4.12Å; L73-F177 HydrophobicContact CD1-CZ 4.11Å; L73-E203 HydrophobicContact CB-CB 4.15Å; L73-E203 HydrophobicContact CB-CG 4.39Å; L73-E203 HydrophobicContact CD1-CB 4.29Å; L73-E203 HydrophobicContact CG-CB 4.48Å; L73-E203 PolarHBondContact N-OE2 2.87Å
74	G	93	Very high	94.4	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.01	36%	0.359	C	S	.	.	S	Bend	trans	-74.6	176.9	178	0	0	0	0	0	114.2	K71 N76 S77 T80	K71-G74 PolarHBondContact O-N 3.07Å; G74-N76 PolarHBondContact O-N 3.19Å; G74-N76 VanDerWaalsContact O-N 3.15Å; G74-S77 WeakPolarHBondContact O-CB 3.24Å; G74-S77 PolarHBondContact O-N 2.98Å; G74-S77 VanDerWaalsContact O-N 3.16Å; G74-T80 PolarHBondContact O-OG1 3.44Å; G74-T80 VanDerWaalsContact O-OG1 3.04Å
75	P	91.3	Very high	94.5	Very high	64 Å²	64	68.8 Å²	68.8	42%	0.416	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.2	-178.8	-23.1	30.8	0	0	0	115.4	P65	P65-P75 HydrophobicContact CB-CB 4.04Å; P65-P75 HydrophobicContact CB-CG 4.02Å
76	N	91.1	Very high	94.6	Very high	166 Å²	166	69.6 Å²	69.6	89%	0.888	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	7.9	-176.7	-61.4	-32.7	0	0	0	113.1	G74	G74-N76 PolarHBondContact O-N 3.19Å; G74-N76 VanDerWaalsContact O-N 3.15Å
77	S	94.4	Very high	94.8	Very high	21 Å²	21	65 Å²	65	15%	0.147	33%	0.328	C	S	.	.			trans	-83	136.1	-178.4	-179.6	0	0	0	0	111.4	D72 G74 K79 T80	D72-S77 WeakPolarHBondContact O-CB 3.34Å; D72-S77 PolarHBondContact O-OG 3.48Å; G74-S77 WeakPolarHBondContact O-CB 3.24Å; G74-S77 PolarHBondContact O-N 2.98Å; G74-S77 VanDerWaalsContact O-N 3.16Å; S77-K79 PolarHBondContact O-N 2.87Å; S77-K79 WeakPolarHBondContact OG-CB 3.37Å; S77-K79 PolarHBondContact OG-N 2.88Å; S77-K79 VanDerWaalsContact OG-N 3.14Å; S77-T80 PolarHBondContact O-N 3.46Å; S77-T80 PolarHBondContact O-OG1 3.48Å; S77-T80 VanDerWaalsContact O-OG1 3.06Å
78	S	94	Very high	94.8	Very high	102 Å²	102	64.8 Å²	64.8	71%	0.713	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-65	-23.9	170.8	57.1	0	0	0	0	112.4	T80 Y81	S78-T80 VanDerWaalsContact C-N 3.28Å; S78-T80 PolarHBondContact O-N 3.08Å; S78-Y81 WeakPolarHBondContact O-CB 3.39Å; S78-Y81 PolarHBondContact O-N 2.74Å
79	K	92.6	Very high	94.8	Very high	124 Å²	124	67.2 Å²	67.2	54%	0.539	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-63.9	-34.5	177.8	-63	-175.1	179.5	177.5	0	111.9	L73 S77	L73-K79 HydrophobicContact CD2-CB 4.09Å; L73-K79 HydrophobicContact CD2-CD 4.45Å; S77-K79 PolarHBondContact O-N 2.87Å; S77-K79 WeakPolarHBondContact OG-CB 3.37Å; S77-K79 PolarHBondContact OG-N 2.88Å; S77-K79 VanDerWaalsContact OG-N 3.14Å
80	T	94	Very high	94.8	Very high	17 Å²	17	72.1 Å²	72.1	10%	0.104	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-90.5	-5	-178.8	57.1	0	0	0	0	114	L68 L73 G74 S77 S78 G82 I83	L68-T80 HydrophobicContact CB-CG2 4.43Å; L68-T80 HydrophobicContact CD1-CG2 3.95Å; L73-T80 HydrophobicContact CB-CG2 3.92Å; L73-T80 HydrophobicContact CD2-CG2 4.04Å; L73-T80 WeakPolarHBondContact O-CG2 3.18Å; G74-T80 PolarHBondContact O-OG1 3.44Å; G74-T80 VanDerWaalsContact O-OG1 3.04Å; S77-T80 PolarHBondContact O-N 3.46Å; S77-T80 PolarHBondContact O-OG1 3.48Å; S77-T80 VanDerWaalsContact O-OG1 3.06Å; S78-T80 VanDerWaalsContact C-N 3.28Å; S78-T80 PolarHBondContact O-N 3.08Å; T80-G82 PolarHBondContact O-N 2.94Å; T80-I83 HydrophobicContact CG2-CD1 4.2Å; T80-I83 WeakPolarHBondContact O-CB 3.3Å; T80-I83 WeakPolarHBondContact O-CG1 3.28Å; T80-I83 PolarHBondContact O-N 3.32Å
81	Y	93.2	Very high	94.8	Very high	189 Å²	189	71.2 Å²	71.2	74%	0.741	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	131.5	176.2	-174.1	-97.1	0	0	0	111.3	S78 I83 K171	S78-Y81 WeakPolarHBondContact O-CB 3.39Å; S78-Y81 PolarHBondContact O-N 2.74Å; Y81-I83 VanDerWaalsContact C-N 3.29Å; Y81-I83 PolarHBondContact O-N 3.39Å; Y81-K171 WeakPolarHBondContact O-CE 3.5Å; Y81-K171 PolarHBondContact O-NZ 3.43Å
82	G	94.1	Very high	94.9	Very high	42 Å²	42	67.3 Å²	67.3	43%	0.433	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-4.2	-179.8	0	0	0	0	0	115.2	T80 K84	T80-G82 PolarHBondContact O-N 2.94Å; G82-K84 PolarHBondContact O-N 3.1Å
83	I	96.6	Very high	94.9	Very high	28 Å²	28	69.9 Å²	69.9	14%	0.144	37%	0.372	C	S	.	.			trans	-66.9	131	175.8	-63.8	-177.1	0	0	0	109.9	L68 T80 Y81 P169 I170 K171 V176	L68-I83 HydrophobicContact CD1-CB 4.44Å; L68-I83 HydrophobicContact CD1-CD1 4.06Å; L68-I83 HydrophobicContact CD1-CG2 4.07Å; T80-I83 HydrophobicContact CG2-CD1 4.2Å; T80-I83 WeakPolarHBondContact O-CB 3.3Å; T80-I83 WeakPolarHBondContact O-CG1 3.28Å; T80-I83 PolarHBondContact O-N 3.32Å; Y81-I83 VanDerWaalsContact C-N 3.29Å; Y81-I83 PolarHBondContact O-N 3.39Å; I83-P169 HydrophobicContact CG2-CB 3.87Å; I83-I170 WeakPolarHBondContact CA-O 3.28Å; I83-K171 HydrophobicContact CG1-CB 4.39Å; I83-K171 HydrophobicContact CG1-CD 4.41Å; I83-V176 HydrophobicContact CD1-CG1 4.21Å; I83-V176 HydrophobicContact CD1-CG2 4.25Å; I83-V176 HydrophobicContact CG1-CG2 4.26Å
84	K	97	Very high	95	Very high	142 Å²	142	72.9 Å²	72.9	62%	0.617	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	149	173	-63.7	179.1	-176.8	176.9	0	109	G82 I170	G82-K84 PolarHBondContact O-N 3.1Å; K84-I170 PolarHBondContact N-O 3Å; K84-I170 PolarHBondContact O-N 2.86Å
85	W	98	Very high	95.2	Very high	40 Å²	40	73.2 Å²	73.2	15%	0.152	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.7	174.2	-67.4	80.6	0	0	0	109.2	F61 P63 L68 L167 L168 P169 Y202	F61-W85 HydrophobicContact CE1-CH2 4.45Å; P63-W85 HydrophobicContact CB-CB 3.6Å; P63-W85 HydrophobicContact CB-CD2 3.52Å; P63-W85 HydrophobicContact CB-CE3 3.95Å; P63-W85 HydrophobicContact CB-CG 3.36Å; L68-W85 HydrophobicContact CD2-CH2 4.25Å; L68-W85 HydrophobicContact CD2-CZ2 3.64Å; L68-W85 HydrophobicContact CG-CZ2 4.01Å; W85-L167 HydrophobicContact CB-CB 4.33Å; W85-L167 HydrophobicContact CB-CD2 4.46Å; W85-L167 HydrophobicContact CE3-CB 4.07Å; W85-L167 WeakPolarHBondContact CZ3-O 3.48Å; W85-L168 WeakPolarHBondContact CA-O 3.44Å; W85-P169 HydrophobicContact CD2-CG 4.31Å; W85-P169 HydrophobicContact CE3-CG 4.06Å; W85-P169 HydrophobicContact CH2-CG 3.79Å; W85-P169 HydrophobicContact CZ2-CG 4.02Å; W85-P169 HydrophobicContact CZ3-CG 3.79Å; W85-Y202 AromaticContact CH2-CE2 3.95Å; W85-Y202 HydrophobicContact CH2-CE2 3.95Å; W85-Y202 HydrophobicContact CZ3-CE2 4.47Å
86	K	98.1	Very high	95.4	Very high	74 Å²	74	72.2 Å²	72.2	32%	0.322	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148	178.4	-71.7	-169.1	163.6	-161	0	110.9	E90 L91 L168 I170	K86-E90 HydrophobicContact CB-CB 4.45Å; K86-L91 HydrophobicContact CB-CD2 4.24Å; K86-L91 HydrophobicContact CB-CG 4.39Å; K86-L91 HydrophobicContact CD-CD2 3.64Å; K86-L168 PolarHBondContact N-O 3.4Å; K86-L168 PolarHBondContact O-N 3.35Å; K86-I170 HydrophobicContact CB-CG1 4Å
87	R	98.3	Very high	95.7	Very high	22 Å²	22	64.8 Å²	64.8	8%	0.083	34%	0.34	C	S	.	.			trans	-78.8	152.3	171.6	-55.9	-175.1	-174.3	-98	0.4	110.7	F56 T89 E90 G147 D166 L167	F56-R87 PolarHBondContact O-NH1 2.79Å; F56-R87 VanDerWaalsContact O-NH1 3.1Å; F56-R87 PolarHBondContact O-NH2 3.43Å; R87-T89 PolarHBondContact O-N 2.93Å; R87-T89 VanDerWaalsContact O-N 3.17Å; R87-E90 HydrophobicContact CB-CG 4.31Å; R87-E90 PolarHBondContact N-OE1 3.49Å; R87-E90 WeakPolarHBondContact O-CB 3.33Å; R87-E90 PolarHBondContact O-N 2.85Å; R87-G147 PolarHBondContact NH1-O 3.08Å; R87-D166 WeakPolarHBondContact CA-O 3.44Å; R87-D166 WeakPolarHBondContact CD-OD1 3.35Å; R87-D166 WeakPolarHBondContact CG-OD1 3.18Å; R87-D166 IonicContact CZ-OD1 2.72Å; R87-D166 IonicContact NE-OD1 2.75Å; R87-D166 IonicContact NH1-OD1 2.94Å; R87-D166 PolarHBondContact NH1-OD1 2.93Å; R87-L167 HydrophobicContact CG-CD2 3.6Å; R87-L167 HydrophobicContact CG-CG 4.03Å
88	P	97.8	Very high	95.8	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-50.2	-36.9	170.3	-33.1	38.5	0	0	0	113.8	E90 L91 L92 P95 F141 D166 L168 F186	P88-E90 PolarHBondContact O-N 3.02Å; P88-L91 PolarHBondContact O-N 3.26Å; P88-L92 PolarHBondContact O-N 3.04Å; P88-P95 HydrophobicContact CB-CB 3.58Å; P88-P95 HydrophobicContact CB-CG 4.15Å; P88-F141 HydrophobicContact CB-CD1 4.47Å; P88-F141 HydrophobicContact CB-CE1 3.79Å; P88-F141 HydrophobicContact CB-CZ 3.97Å; P88-F141 HydrophobicContact CG-CE1 3.73Å; P88-F141 HydrophobicContact CG-CZ 3.72Å; P88-D166 WeakPolarHBondContact CD-O 3.15Å; P88-L168 HydrophobicContact CG-CD1 4.16Å; P88-F186 HydrophobicContact CB-CD1 4.02Å; P88-F186 HydrophobicContact CB-CD2 3.82Å; P88-F186 HydrophobicContact CB-CE1 3.92Å; P88-F186 HydrophobicContact CB-CE2 3.74Å; P88-F186 HydrophobicContact CB-CG 3.97Å; P88-F186 HydrophobicContact CB-CZ 3.79Å; P88-F186 HydrophobicContact CG-CB 4.3Å; P88-F186 HydrophobicContact CG-CD1 3.61Å; P88-F186 HydrophobicContact CG-CD2 4.12Å; P88-F186 HydrophobicContact CG-CE1 3.89Å; P88-F186 HydrophobicContact CG-CE2 4.39Å; P88-F186 HydrophobicContact CG-CG 3.74Å; P88-F186 HydrophobicContact CG-CZ 4.28Å
89	T	97	Very high	95.6	Very high	56 Å²	56	63 Å²	63	34%	0.344	32%	0.321	S	S	.	.	H	α-helix	trans	-66.9	-17.1	177.1	49.3	0	0	0	0	114.2	R87 P95 F141 Y145	R87-T89 PolarHBondContact O-N 2.93Å; R87-T89 VanDerWaalsContact O-N 3.17Å; T89-P95 HydrophobicContact CG2-CG 3.75Å; T89-F141 HydrophobicContact CG2-CD1 4.27Å; T89-Y145 HydrophobicContact CG2-CE1 3.96Å; T89-Y145 PolarHBondContact OG1-OH 3.25Å
90	E	96.5	Very high	95.2	Very high	105 Å²	105	65.3 Å²	65.3	49%	0.491	34%	0.339	S	S	.	.	H	α-helix	trans	-90.2	-13	173	-61.8	174.8	-109	0	0	113	K86 R87 P88	K86-E90 HydrophobicContact CB-CB 4.45Å; R87-E90 HydrophobicContact CB-CG 4.31Å; R87-E90 PolarHBondContact N-OE1 3.49Å; R87-E90 WeakPolarHBondContact O-CB 3.33Å; R87-E90 PolarHBondContact O-N 2.85Å; P88-E90 PolarHBondContact O-N 3.02Å
91	L	93.8	Very high	95	Very high	55 Å²	55	66.1 Å²	66.1	29%	0.288	35%	0.352	S	S	.	.	H	α-helix	trans	-101.8	-38.1	-176.2	-60.7	173.6	0	0	0	111.5	K86 P88 I170	K86-L91 HydrophobicContact CB-CD2 4.24Å; K86-L91 HydrophobicContact CB-CG 4.39Å; K86-L91 HydrophobicContact CD-CD2 3.64Å; P88-L91 PolarHBondContact O-N 3.26Å; L91-I170 HydrophobicContact CD1-CD1 3.57Å; L91-I170 HydrophobicContact CD1-CG1 4.01Å; L91-I170 HydrophobicContact CD2-CG1 4.36Å
92	L	94.4	Very high	94.8	Very high	68 Å²	68	57.6 Å²	57.6	36%	0.356	32%	0.32	S	S	.	.			trans	-136.3	151	-172.8	-61.6	167.2	0	0	0	110.7	P88 G183 N184 F186	P88-L92 PolarHBondContact O-N 3.04Å; L92-G183 WeakPolarHBondContact CD1-O 3.38Å; L92-N184 HydrophobicContact CD1-CB 4.01Å; L92-F186 HydrophobicContact CD1-CE2 3.85Å; L92-F186 HydrophobicContact CD1-CZ 3.66Å
93	S	93.1	Very high	94.7	Very high	134 Å²	134	57.9 Å²	57.9	94%	0.937	31%	0.314	S	S	*	.	S	Bend	trans	-74.4	-24.1	178.6	54.7	0	0	0	0	113.9
94	N	95.9	Very high	94.3	Very high	81 Å²	81	59.2 Å²	59.2	43%	0.433	32%	0.317	S	S	.	.	S	Bend	trans	-141.2	67.9	-177.9	-172.8	37.6	0	0	0	111.9	Q96 Q142	N94-Q96 PolarHBondContact ND2-NE2 3.49Å; N94-Q96 VanDerWaalsContact ND2-NE2 3.16Å; N94-Q96 PolarHBondContact OD1-NE2 3Å; N94-Q142 PolarHBondContact OD1-NE2 3.16Å; N94-Q142 VanDerWaalsContact OD1-NE2 3.09Å
95	P	97.3	Very high	93.9	Very high	7 Å²	7	54.6 Å²	54.6	5%	0.045	30%	0.3	C	S	.	.			trans	-65.3	141.7	173.9	29.4	-34.2	0	0	0	110.4	P88 T89 F141 Q142 F186	P88-P95 HydrophobicContact CB-CB 3.58Å; P88-P95 HydrophobicContact CB-CG 4.15Å; T89-P95 HydrophobicContact CG2-CG 3.75Å; P95-F141 HydrophobicContact CB-CB 4.47Å; P95-F141 HydrophobicContact CB-CD1 4.26Å; P95-F141 HydrophobicContact CB-CD2 4.13Å; P95-F141 HydrophobicContact CB-CE2 4.44Å; P95-F141 HydrophobicContact CB-CG 4.04Å; P95-F141 HydrophobicContact CG-CB 3.95Å; P95-F141 HydrophobicContact CG-CD1 4Å; P95-F141 HydrophobicContact CG-CD2 4.47Å; P95-F141 HydrophobicContact CG-CG 3.9Å; P95-F141 WeakPolarHBondContact O-CB 3.33Å; P95-Q142 PolarHBondContact O-NE2 3.27Å; P95-F186 HydrophobicContact CB-CD2 3.94Å; P95-F186 HydrophobicContact CB-CE2 3.7Å
96	Q	97	Very high	93.5	Very high	44 Å²	44	53 Å²	53	21%	0.206	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-116.2	145.6	177.2	-64.5	-61.1	-33.1	0	0	109.1	N94 V99 F141 N184 E185 F186	N94-Q96 PolarHBondContact ND2-NE2 3.49Å; N94-Q96 VanDerWaalsContact ND2-NE2 3.16Å; N94-Q96 PolarHBondContact OD1-NE2 3Å; Q96-V99 HydrophobicContact CB-CG2 3.39Å; Q96-V99 HydrophobicContact CG-CG2 3.75Å; Q96-F141 VanDerWaalsContact C-CD2 3.46Å; Q96-F141 WeakPolarHBondContact O-CE2 3.21Å; Q96-N184 PolarHBondContact N-O 2.92Å; Q96-E185 WeakPolarHBondContact O-CA 3.19Å; Q96-F186 PolarHBondContact O-N 3.39Å; Q96-F186 VanDerWaalsContact O-N 3.14Å
97	F	97.1	Very high	93.2	Very high	9 Å²	9	49.4 Å²	49.4	4%	0.039	28%	0.279	C	S	.	.	S	Bend	trans	-74.6	-55.1	173.7	-175	-114.8	0	0	0	109.1	V135 Q139 F141 F149 F151 E185 F186 W187 L190	F97-V135 HydrophobicContact CE1-CG1 3.66Å; F97-V135 HydrophobicContact CZ-CG1 3.79Å; F97-Q139 HydrophobicContact CD1-CB 3.73Å; F97-Q139 HydrophobicContact CE1-CB 3.68Å; F97-Q139 HydrophobicContact CE1-CG 4.38Å; F97-Q139 HydrophobicContact CE2-CB 4.49Å; F97-Q139 HydrophobicContact CG-CB 4.17Å; F97-Q139 HydrophobicContact CZ-CB 4.08Å; F97-F141 HydrophobicContact CB-CD2 4.21Å; F97-F141 HydrophobicContact CB-CE2 4.17Å; F97-F141 HydrophobicContact CD2-CE2 4.4Å; F97-F149 HydrophobicContact CB-CE1 4.4Å; F97-F149 AromaticContact CD2-CD1 3.57Å; F97-F149 HydrophobicContact CD2-CD1 3.57Å; F97-F149 AromaticContact CD2-CE1 3.39Å; F97-F149 HydrophobicContact CD2-CE1 3.39Å; F97-F149 HydrophobicContact CD2-CZ 4.32Å; F97-F149 AromaticContact CE2-CD1 3.47Å; F97-F149 HydrophobicContact CE2-CD1 3.47Å; F97-F149 VanDerWaalsContact CE2-CD1 3.47Å; F97-F149 AromaticContact CE2-CE1 3.83Å; F97-F149 HydrophobicContact CE2-CE1 3.83Å; F97-F149 HydrophobicContact CE2-CG 4.3Å; F97-F149 HydrophobicContact CG-CD1 4.41Å; F97-F149 HydrophobicContact CG-CE1 4.02Å; F97-F149 HydrophobicContact CZ-CD1 4.23Å; F97-F151 HydrophobicContact CE2-CZ 4.11Å; F97-F151 HydrophobicContact CZ-CE1 4.06Å; F97-F151 HydrophobicContact CZ-CZ 4.02Å; F97-E185 WeakPolarHBondContact O-CG 3.4Å; F97-F186 PolarHBondContact O-N 3.45Å; F97-W187 HydrophobicContact CD1-CB 4.32Å; F97-W187 HydrophobicContact CD2-CB 4.06Å; F97-W187 HydrophobicContact CE1-CB 4.04Å; F97-W187 HydrophobicContact CE2-CB 3.77Å; F97-W187 HydrophobicContact CG-CB 4.33Å; F97-W187 HydrophobicContact CZ-CB 3.77Å; F97-W187 VanDerWaalsContact O-CB 3.27Å; F97-W187 WeakPolarHBondContact O-CB 3.38Å; F97-W187 PolarHBondContact O-N 3.08Å; F97-L190 HydrophobicContact CD2-CD1 4.1Å; F97-L190 HydrophobicContact CE2-CD1 3.93Å
98	I	95.3	Very high	92.9	Very high	50 Å²	50	49.1 Å²	49.1	26%	0.256	28%	0.281	S	S	.	.	S	Bend	trans	-132.1	138.3	174.8	-65.9	171.3	0	0	0	108	G101 A102 V135 E185 W187	I98-G101 VanDerWaalsContact CG2-C 3.42Å; I98-A102 HydrophobicContact CD1-CB 4.01Å; I98-A102 HydrophobicContact CG1-CB 4.18Å; I98-A102 HydrophobicContact CG2-CB 3.95Å; I98-V135 HydrophobicContact CD1-CG1 4.27Å; I98-E185 VanDerWaalsContact CA-OE1 3.26Å; I98-E185 WeakPolarHBondContact CA-OE1 3.44Å; I98-W187 HydrophobicContact CD1-CB 4.48Å; I98-W187 HydrophobicContact CD1-CG 4.43Å; I98-W187 HydrophobicContact CG1-CB 3.82Å; I98-W187 HydrophobicContact CG1-CG 3.75Å
99	V	89.6	Confident	92.6	Very high	36 Å²	36	50.2 Å²	50.2	22%	0.218	29%	0.285	C	S	.	.	S	Bend	trans	-115.9	118.8	178	-179.5	0	0	0	0	109.4	Q96 G101 E182 E185	Q96-V99 HydrophobicContact CB-CG2 3.39Å; Q96-V99 HydrophobicContact CG-CG2 3.75Å; V99-G101 PolarHBondContact O-N 3.02Å; V99-G101 VanDerWaalsContact O-O 3.05Å; V99-E182 HydrophobicContact CG1-CG 4.43Å; V99-E182 HydrophobicContact CG2-CG 4.48Å; V99-E185 HydrophobicContact CG2-CB 3.97Å; V99-E185 HydrophobicContact CG2-CG 4.26Å; V99-E185 PolarHBondContact N-OE1 3.45Å
100	D	85.3	Confident	92.4	Very high	172 Å²	172	48.7 Å²	48.7	92%	0.92	28%	0.281	S	S	*	.	S	Bend	trans	53.4	25	177.2	-63.3	-28.5	0	0	0	116.1
101	G	88.7	Confident	92.1	Very high	35 Å²	35	47.7 Å²	47.7	36%	0.361	29%	0.291	S	S	.	.	S	Bend	trans	101.2	146.2	-178.7	0	0	0	0	0	111.2	I98 V99 T103	I98-G101 VanDerWaalsContact CG2-C 3.42Å; V99-G101 PolarHBondContact O-N 3.02Å; V99-G101 VanDerWaalsContact O-O 3.05Å; G101-T103 PolarHBondContact O-N 2.89Å
102	A	90.4	Very high	92	Very high	9 Å²	9	45.3 Å²	45.3	7%	0.074	28%	0.278	C	S	.	.			trans	-84	115.6	-178	0	0	0	0	0	109.6	I98 D106 L131 W187	I98-A102 HydrophobicContact CD1-CB 4.01Å; I98-A102 HydrophobicContact CG1-CB 4.18Å; I98-A102 HydrophobicContact CG2-CB 3.95Å; A102-D106 VanDerWaalsContact CA-OD2 3.27Å; A102-D106 WeakPolarHBondContact CA-OD2 3.34Å; A102-L131 HydrophobicContact CB-CD2 3.53Å; A102-W187 HydrophobicContact CB-CD2 4.18Å; A102-W187 HydrophobicContact CB-CH2 4.45Å; A102-W187 HydrophobicContact CB-CZ2 3.72Å
103	T	91.3	Very high	91.8	Very high	49 Å²	49	43.2 Å²	43.2	30%	0.301	27%	0.273	S	S	.	.			trans	-121.2	168.1	-172.7	80.4	0	0	0	0	112	G101 T105 D106	G101-T103 PolarHBondContact O-N 2.89Å; T103-T105 PolarHBondContact O-N 3.15Å; T103-T105 PolarHBondContact OG1-N 3.28Å; T103-T105 PolarHBondContact OG1-OG1 3.09Å; T103-D106 PolarHBondContact N-OD2 3.06Å; T103-D106 WeakPolarHBondContact O-CB 3.38Å; T103-D106 PolarHBondContact O-N 3.36Å; T103-D106 PolarHBondContact OG1-OD1 3.44Å
104	R	88.7	Confident	91.8	Very high	56 Å²	56	36.8 Å²	36.8	21%	0.211	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-62.9	-26.4	178.3	61.5	-162.3	177.5	-69.1	-7.3	113.1	D106 I107 A122 T125 R295 E333	R104-D106 PolarHBondContact O-N 2.82Å; R104-I107 WeakPolarHBondContact O-CB 3.44Å; R104-I107 PolarHBondContact O-N 3.07Å; R104-A122 HydrophobicContact CB-CB 4.04Å; R104-T125 WeakPolarHBondContact CA-OG1 3.45Å; R104-T125 WeakPolarHBondContact CB-OG1 3.42Å; R104-T125 PolarHBondContact N-OG1 3.27Å; R104-R295 PolarHBondContact O-NE 2.84Å; R104-R295 PolarHBondContact O-NH1 3.45Å; R104-R295 PolarHBondContact O-NH2 2.88Å; R104-E333 IonicContact CZ-OE1 2.71Å; R104-E333 IonicContact CZ-OE2 3.38Å; R104-E333 VanDerWaalsContact NE-CD 3.32Å; R104-E333 IonicContact NE-OE1 3.51Å; R104-E333 PolarHBondContact NE-OE1 3.35Å; R104-E333 IonicContact NE-OE2 3.48Å; R104-E333 PolarHBondContact NE-OE2 3.31Å; R104-E333 IonicContact NH2-OE1 3.38Å; R104-E333 IonicContact NH2-OE2 3.47Å; R104-E333 PolarHBondContact NH2-OE2 3.32Å
105	T	87.6	Confident	91.8	Very high	44 Å²	44	33.5 Å²	33.5	27%	0.27	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-69.4	-13.7	178.2	49.8	0	0	0	0	113.2	T103 I107 A181 D331	T103-T105 PolarHBondContact O-N 3.15Å; T103-T105 PolarHBondContact OG1-N 3.28Å; T103-T105 PolarHBondContact OG1-OG1 3.09Å; T105-I107 PolarHBondContact O-N 3.35Å; T105-A181 PolarHBondContact O-N 3.3Å; T105-D331 HydrophobicContact CG2-CB 4.32Å
106	D	90.3	Very high	91.7	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.032	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-76.3	-0.2	176.9	-38.7	-3.3	0	0	0	112.3	A102 T103 R104 H179 S180 E185 W187 S188	A102-D106 VanDerWaalsContact CA-OD2 3.27Å; A102-D106 WeakPolarHBondContact CA-OD2 3.34Å; T103-D106 PolarHBondContact N-OD2 3.06Å; T103-D106 WeakPolarHBondContact O-CB 3.38Å; T103-D106 PolarHBondContact O-N 3.36Å; T103-D106 PolarHBondContact OG1-OD1 3.44Å; R104-D106 PolarHBondContact O-N 2.82Å; D106-H179 CarbonylContact O-C 3.57Å; D106-H179 VanDerWaalsContact O-O 3.12Å; D106-S180 WeakPolarHBondContact CA-OG 3.45Å; D106-S180 VanDerWaalsContact O-CA 3.28Å; D106-S180 WeakPolarHBondContact O-CA 3.41Å; D106-S180 PolarHBondContact O-N 3.27Å; D106-E185 VanDerWaalsContact CB-OE2 3.31Å; D106-E185 WeakPolarHBondContact CB-OE2 3.23Å; D106-W187 HydrophobicContact CB-CZ2 4.1Å; D106-W187 PolarHBondContact OD2-NE1 2.84Å; D106-S188 WeakPolarHBondContact O-CB 3.46Å; D106-S188 PolarHBondContact O-OG 3.04Å
107	I	92.3	Very high	91.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.2	C	C	.	.			trans	-117.2	94	-175	-45.1	-57.4	0	0	0	109.2	R104 T105 L118 I121 A122 V178 W187 R295	R104-I107 WeakPolarHBondContact O-CB 3.44Å; R104-I107 PolarHBondContact O-N 3.07Å; T105-I107 PolarHBondContact O-N 3.35Å; I107-L118 HydrophobicContact CG2-CB 3.71Å; I107-L118 HydrophobicContact CG2-CD2 4.24Å; I107-L118 HydrophobicContact CG2-CG 4.38Å; I107-I121 HydrophobicContact CD1-CB 4.23Å; I107-I121 HydrophobicContact CD1-CG2 3.4Å; I107-I121 HydrophobicContact CG1-CG2 4.01Å; I107-A122 HydrophobicContact CB-CB 4.47Å; I107-A122 HydrophobicContact CG1-CB 4.34Å; I107-V178 HydrophobicContact CG2-CG2 4.01Å; I107-W187 HydrophobicContact CD1-CH2 3.91Å; I107-W187 HydrophobicContact CD1-CZ2 3.94Å; I107-R295 PolarHBondContact O-NH1 3.4Å; I107-R295 PolarHBondContact O-NH2 2.94Å
108	C	91.9	Very high	91.6	Very high	16 Å²	16	30.8 Å²	30.8	11%	0.108	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-117.7	119.6	169.6	-65	0	0	0	0	109.5	V178 H179 P297	C108-V178 WeakPolarHBondContact O-CA 3.37Å; C108-H179 WeakPolarHBondContact CB-O 3.43Å; C108-H179 PolarHBondContact N-O 3.35Å; C108-H179 PolarHBondContact O-N 2.97Å; C108-H179 VanDerWaalsContact O-N 3.16Å; C108-H179 PolarHBondContact O-ND1 3.29Å; C108-P297 WeakPolarHBondContact CA-O 3.49Å
109	Q	91.9	Very high	91.6	Very high	22 Å²	22	28.4 Å²	28.4	10%	0.103	19%	0.186	C	C	.	.			trans	-62	136.7	-178.7	-169.4	171.1	-24.1	0	0	112.2	L112 L118 H272 P297 W298	Q109-L112 PolarHBondContact NE2-O 2.94Å; Q109-L118 VanDerWaalsContact CA-CD1 3.41Å; Q109-L118 HydrophobicContact CB-CD1 3.44Å; Q109-L118 VanDerWaalsContact CB-CD1 3.44Å; Q109-L118 HydrophobicContact CG-CD1 3.52Å; Q109-H272 PolarHBondContact OE1-CE1 2.97Å; Q109-P297 PolarHBondContact N-O 2.88Å; Q109-W298 VanDerWaalsContact OE1-NE1 3.08Å
110	G	92.5	Very high	91.9	Very high	25 Å²	25	26.7 Å²	26.7	26%	0.258	18%	0.176	S	C	.	.			trans	-92	-145.9	170.3	0	0	0	0	0	112.8	L112 V176 F177	G110-L112 VanDerWaalsContact C-N 3.25Å; G110-L112 PolarHBondContact O-N 3.45Å; G110-V176 CarbonylContact C-O 3.42Å; G110-V176 WeakPolarHBondContact CA-O 3.43Å; G110-F177 WeakPolarHBondContact CA-O 2.87Å
111	A	90.1	Very high	92.5	Very high	83 Å²	83	18.5 Å²	18.5	69%	0.686	13%	0.132	S	C	*	.	S	Bend	trans	-84.5	14.2	-176.5	0	0	0	0	0	114.6	V176	A111-V176 HydrophobicContact CB-CG1 4.25Å; A111-V176 PolarHBondContact N-O 3.11Å
112	L	91.5	Very high	92.7	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.026	12%	0.115	C	C	.	.	S	Bend	trans	-104.9	138.3	179.1	-175.3	59	0	0	0	110.1	L73 Q109 G110 D114 F177 Y202 L205	L73-L112 HydrophobicContact CD1-CD1 3.8Å; Q109-L112 PolarHBondContact NE2-O 2.94Å; G110-L112 VanDerWaalsContact C-N 3.25Å; G110-L112 PolarHBondContact O-N 3.45Å; L112-D114 HydrophobicContact CD2-CB 4.16Å; L112-D114 WeakPolarHBondContact CD2-OD2 3.34Å; L112-D114 HydrophobicContact CG-CB 3.97Å; L112-D114 PolarHBondContact O-N 3.16Å; L112-F177 HydrophobicContact CB-CD1 3.6Å; L112-F177 HydrophobicContact CB-CE1 3.88Å; L112-F177 HydrophobicContact CD2-CD1 4.22Å; L112-F177 HydrophobicContact CD2-CE1 4.33Å; L112-F177 HydrophobicContact CG-CD1 4.49Å; L112-Y202 HydrophobicContact CD2-CD1 4.1Å; L112-L205 HydrophobicContact CD2-CB 4.23Å; L112-L205 HydrophobicContact CD2-CD1 4.48Å
113	G	90.8	Very high	92.9	Very high	24 Å²	24	16.5 Å²	16.5	25%	0.247	11%	0.112	C	C	.	.	S	Bend	trans	-82.8	51	178.7	0	0	0	0	0	112.6	S206 G207	G113-S206 WeakPolarHBondContact O-CA 3.42Å; G113-G207 PolarHBondContact O-N 3.02Å
114	D	93.3	Very high	93	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	10%	0.097	C	C	.	.			trans	-114.4	29.1	-178	66.7	-24.1	0	0	0	112.5	L112 W116 L117 L118 L205	L112-D114 HydrophobicContact CD2-CB 4.16Å; L112-D114 WeakPolarHBondContact CD2-OD2 3.34Å; L112-D114 HydrophobicContact CG-CB 3.97Å; L112-D114 PolarHBondContact O-N 3.16Å; D114-W116 PolarHBondContact O-N 3.12Å; D114-L117 HydrophobicContact CB-CB 4.37Å; D114-L117 WeakPolarHBondContact O-CA 3.34Å; D114-L117 VanDerWaalsContact O-CB 3.32Å; D114-L117 WeakPolarHBondContact O-CB 3.3Å; D114-L117 PolarHBondContact O-N 3.3Å; D114-L118 PolarHBondContact O-N 3.16Å; D114-L205 HydrophobicContact CB-CB 4Å
115	C	94.4	Very high	93.2	Very high	12 Å²	12	12 Å²	12	8%	0.081	9%	0.09	C	C	.	.	H	α-helix	trans	-46.1	-35.2	175.6	59.2	0	0	0	0	114.3	L117 L118 A119 H272 P297	C115-L117 VanDerWaalsContact C-N 3.33Å; C115-L117 PolarHBondContact O-N 3Å; C115-L118 PolarHBondContact O-N 2.86Å; C115-A119 WeakPolarHBondContact O-CB 3.06Å; C115-A119 PolarHBondContact O-N 3.38Å; C115-H272 WeakPolarHBondContact CB-CE1 3.45Å; C115-H272 WeakPolarHBondContact CB-ND1 3.28Å; C115-H272 PolarHBondContact SG-ND1 3.25Å; C115-H272 VanDerWaalsContact SG-ND1 3.36Å; C115-P297 HydrophobicContact CB-CG 4.26Å
116	W	95.3	Very high	93.3	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-59.2	-40.4	175.3	69	-88.5	0	0	0	112.8	D114 A120 Y195 L205 G208 T210 E212 A273 R429	D114-W116 PolarHBondContact O-N 3.12Å; W116-A120 PolarHBondContact O-N 2.51Å; W116-Y195 AromaticContact CH2-CE1 3.7Å; W116-Y195 HydrophobicContact CH2-CE1 3.7Å; W116-Y195 AromaticContact CH2-CZ 3.99Å; W116-Y195 HydrophobicContact CZ2-CE1 4.37Å; W116-L205 PolarHBondContact NE1-O 3.12Å; W116-G208 WeakPolarHBondContact CB-O 3.45Å; W116-G208 VanDerWaalsContact CD1-N 3.28Å; W116-G208 VanDerWaalsContact CG-C 3.49Å; W116-T210 WeakPolarHBondContact O-CG2 3.28Å; W116-E212 HydrophobicContact CE3-CB 4.14Å; W116-E212 HydrophobicContact CH2-CB 4.21Å; W116-E212 HydrophobicContact CZ3-CB 3.57Å; W116-A273 HydrophobicContact CB-CB 4.26Å; W116-R429 VanDerWaalsContact CZ2-CZ 3.46Å
117	L	96.7	Very high	93.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-71.2	-44	177.3	-179	64.6	0	0	0	109.8	D114 C115 A120 I121 E192 Y195 L205 F217	D114-L117 HydrophobicContact CB-CB 4.37Å; D114-L117 WeakPolarHBondContact O-CA 3.34Å; D114-L117 VanDerWaalsContact O-CB 3.32Å; D114-L117 WeakPolarHBondContact O-CB 3.3Å; D114-L117 PolarHBondContact O-N 3.3Å; C115-L117 VanDerWaalsContact C-N 3.33Å; C115-L117 PolarHBondContact O-N 3Å; L117-A120 CarbonylContact O-C 3.5Å; L117-A120 WeakPolarHBondContact O-CA 3.36Å; L117-A120 VanDerWaalsContact O-CB 3.31Å; L117-A120 WeakPolarHBondContact O-CB 3.44Å; L117-A120 PolarHBondContact O-N 2.82Å; L117-I121 HydrophobicContact CG-CD1 4.2Å; L117-I121 WeakPolarHBondContact O-CG1 3.26Å; L117-I121 PolarHBondContact O-N 3.1Å; L117-E192 HydrophobicContact CD2-CG 4.42Å; L117-Y195 HydrophobicContact CD1-CD1 3.8Å; L117-Y195 HydrophobicContact CD1-CD2 4.17Å; L117-Y195 HydrophobicContact CD1-CE1 3.75Å; L117-Y195 HydrophobicContact CD1-CE2 4.13Å; L117-Y195 HydrophobicContact CD1-CG 4.03Å; L117-Y195 HydrophobicContact CD2-CD1 3.52Å; L117-Y195 HydrophobicContact CD2-CE1 4.09Å; L117-Y195 HydrophobicContact CD2-CG 4.02Å; L117-Y195 HydrophobicContact CG-CD1 4.32Å; L117-L205 HydrophobicContact CD2-CD1 3.88Å; L117-F217 HydrophobicContact CD1-CE1 4.49Å; L117-F217 HydrophobicContact CD1-CE2 3.97Å; L117-F217 HydrophobicContact CD1-CZ 3.51Å; L117-F217 HydrophobicContact CG-CZ 4.49Å
118	L	96.2	Very high	93	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.6	-40.3	-177.7	-58	-169.2	0	0	0	112.4	I107 Q109 D114 C115 A120 I121 A122 V178 P297	I107-L118 HydrophobicContact CG2-CB 3.71Å; I107-L118 HydrophobicContact CG2-CD2 4.24Å; I107-L118 HydrophobicContact CG2-CG 4.38Å; Q109-L118 VanDerWaalsContact CA-CD1 3.41Å; Q109-L118 HydrophobicContact CB-CD1 3.44Å; Q109-L118 VanDerWaalsContact CB-CD1 3.44Å; Q109-L118 HydrophobicContact CG-CD1 3.52Å; D114-L118 PolarHBondContact O-N 3.16Å; C115-L118 PolarHBondContact O-N 2.86Å; L118-A120 PolarHBondContact O-N 2.77Å; L118-I121 HydrophobicContact CD2-CD1 4.19Å; L118-I121 PolarHBondContact O-N 2.91Å; L118-A122 WeakPolarHBondContact O-CB 3.17Å; L118-A122 PolarHBondContact O-N 3.07Å; L118-V178 HydrophobicContact CD1-CB 4.31Å; L118-V178 HydrophobicContact CD1-CG2 4.14Å; L118-V178 HydrophobicContact CD2-CB 3.81Å; L118-V178 HydrophobicContact CD2-CG1 4.39Å; L118-V178 HydrophobicContact CD2-CG2 3.72Å; L118-P297 HydrophobicContact CB-CB 3.75Å
119	A	95.3	Very high	92.9	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-36.3	170.1	0	0	0	0	0	111.3	C115 S123 T210 A273 S275 P297	C115-A119 WeakPolarHBondContact O-CB 3.06Å; C115-A119 PolarHBondContact O-N 3.38Å; A119-S123 PolarHBondContact O-N 3.42Å; A119-S123 PolarHBondContact O-OG 3.33Å; A119-T210 HydrophobicContact CB-CG2 4Å; A119-A273 HydrophobicContact CB-CB 3.77Å; A119-S275 WeakPolarHBondContact CA-OG 3.42Å; A119-S275 PolarHBondContact O-OG 3.47Å; A119-P297 HydrophobicContact CB-CG 4.29Å
120	A	96.5	Very high	92.8	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.7	-44.5	175.3	0	0	0	0	0	112.7	W116 L117 L118 S123 L124 T210 F214 F217	W116-A120 PolarHBondContact O-N 2.51Å; L117-A120 CarbonylContact O-C 3.5Å; L117-A120 WeakPolarHBondContact O-CA 3.36Å; L117-A120 VanDerWaalsContact O-CB 3.31Å; L117-A120 WeakPolarHBondContact O-CB 3.44Å; L117-A120 PolarHBondContact O-N 2.82Å; L118-A120 PolarHBondContact O-N 2.77Å; A120-S123 PolarHBondContact O-N 2.94Å; A120-L124 PolarHBondContact O-N 3.35Å; A120-T210 HydrophobicContact CB-CG2 3.99Å; A120-F214 HydrophobicContact CB-CD1 3.7Å; A120-F214 HydrophobicContact CB-CE1 3.9Å; A120-F217 HydrophobicContact CB-CD2 4.08Å; A120-F217 HydrophobicContact CB-CE2 3.83Å
121	I	96	Very high	92.9	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-44.2	176.1	-61.2	169.4	0	0	0	110.3	I107 L117 L118 S123 L124 T125 W187 L191 F217	I107-I121 HydrophobicContact CD1-CB 4.23Å; I107-I121 HydrophobicContact CD1-CG2 3.4Å; I107-I121 HydrophobicContact CG1-CG2 4.01Å; L117-I121 HydrophobicContact CG-CD1 4.2Å; L117-I121 WeakPolarHBondContact O-CG1 3.26Å; L117-I121 PolarHBondContact O-N 3.1Å; L118-I121 HydrophobicContact CD2-CD1 4.19Å; L118-I121 PolarHBondContact O-N 2.91Å; I121-S123 VanDerWaalsContact C-N 3.35Å; I121-S123 PolarHBondContact O-N 2.95Å; I121-L124 VanDerWaalsContact O-CB 3.29Å; I121-L124 WeakPolarHBondContact O-CB 3.3Å; I121-L124 PolarHBondContact O-N 3.03Å; I121-L124 VanDerWaalsContact O-N 3.08Å; I121-T125 WeakPolarHBondContact O-CG2 3.4Å; I121-T125 PolarHBondContact O-N 3Å; I121-W187 HydrophobicContact CG2-CH2 3.5Å; I121-W187 VanDerWaalsContact CG2-CH2 3.5Å; I121-W187 HydrophobicContact CG2-CZ3 3.75Å; I121-L191 HydrophobicContact CD1-CD2 4.01Å; I121-L191 HydrophobicContact CD1-CG 4.33Å; I121-L191 HydrophobicContact CG1-CD2 4.03Å; I121-L191 HydrophobicContact CG2-CD2 4.09Å; I121-F217 HydrophobicContact CB-CE2 4.4Å; I121-F217 HydrophobicContact CD1-CZ 4.2Å; I121-F217 HydrophobicContact CG1-CE2 3.46Å; I121-F217 VanDerWaalsContact CG1-CE2 3.46Å; I121-F217 HydrophobicContact CG1-CZ 3.51Å
122	A	93.6	Very high	93	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.9	-42.4	178.2	0	0	0	0	0	111.7	R104 I107 L118 L124 T125	R104-A122 HydrophobicContact CB-CB 4.04Å; I107-A122 HydrophobicContact CB-CB 4.47Å; I107-A122 HydrophobicContact CG1-CB 4.34Å; L118-A122 WeakPolarHBondContact O-CB 3.17Å; L118-A122 PolarHBondContact O-N 3.07Å; A122-L124 VanDerWaalsContact C-N 3.33Å; A122-L124 PolarHBondContact O-N 3.48Å; A122-T125 PolarHBondContact O-N 3.2Å; A122-T125 PolarHBondContact O-OG1 3.43Å
123	S	94	Very high	93.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.007	10%	0.104	C	C	.	.	H	α-helix	trans	-66.2	-34.6	173.6	-58.8	0	0	0	0	112.6	A119 A120 I121 T125 L126 L247 L248 S275	A119-S123 PolarHBondContact O-N 3.42Å; A119-S123 PolarHBondContact O-OG 3.33Å; A120-S123 PolarHBondContact O-N 2.94Å; I121-S123 VanDerWaalsContact C-N 3.35Å; I121-S123 PolarHBondContact O-N 2.95Å; S123-T125 VanDerWaalsContact C-N 3.25Å; S123-T125 PolarHBondContact O-N 3.36Å; S123-L126 WeakPolarHBondContact O-CB 3.08Å; S123-L126 PolarHBondContact O-N 2.89Å; S123-L126 VanDerWaalsContact O-N 3.1Å; S123-L247 WeakPolarHBondContact O-CD2 3.35Å; S123-L248 PolarHBondContact OG-O 3.46Å; S123-S275 VanDerWaalsContact OG-CB 3.27Å; S123-S275 WeakPolarHBondContact OG-CB 3.43Å; S123-S275 PolarHBondContact OG-OG 3Å
124	L	94	Very high	93.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.8	-37	177.8	-178.6	67	0	0	0	112.1	A120 I121 A122 L126 N127 L130 L131 V134 F217 L247	A120-L124 PolarHBondContact O-N 3.35Å; I121-L124 VanDerWaalsContact O-CB 3.29Å; I121-L124 WeakPolarHBondContact O-CB 3.3Å; I121-L124 PolarHBondContact O-N 3.03Å; I121-L124 VanDerWaalsContact O-N 3.08Å; A122-L124 VanDerWaalsContact C-N 3.33Å; A122-L124 PolarHBondContact O-N 3.48Å; L124-L126 PolarHBondContact O-N 2.99Å; L124-L126 VanDerWaalsContact O-N 3.14Å; L124-N127 PolarHBondContact O-N 2.84Å; L124-L130 HydrophobicContact CD1-CB 3.6Å; L124-L131 HydrophobicContact CD2-CD1 3.79Å; L124-L131 HydrophobicContact CG-CB 4.29Å; L124-L131 HydrophobicContact CG-CD1 3.96Å; L124-V134 HydrophobicContact CD2-CB 4.07Å; L124-V134 HydrophobicContact CD2-CG1 4.33Å; L124-V134 HydrophobicContact CD2-CG2 3.96Å; L124-F217 HydrophobicContact CD1-CB 4.21Å; L124-F217 HydrophobicContact CD2-CB 4.04Å; L124-F217 HydrophobicContact CD2-CD2 4.28Å; L124-F217 HydrophobicContact CD2-CG 4.08Å; L124-L247 HydrophobicContact CB-CD1 4.49Å; L124-L247 HydrophobicContact CD1-CD1 4.28Å
125	T	93.3	Very high	93.7	Very high	10 Å²	10	17.5 Å²	17.5	6%	0.061	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.6	177.3	68.4	0	0	0	0	114.6	R104 I121 A122 S123 N127 L131 W187	R104-T125 WeakPolarHBondContact CA-OG1 3.45Å; R104-T125 WeakPolarHBondContact CB-OG1 3.42Å; R104-T125 PolarHBondContact N-OG1 3.27Å; I121-T125 WeakPolarHBondContact O-CG2 3.4Å; I121-T125 PolarHBondContact O-N 3Å; A122-T125 PolarHBondContact O-N 3.2Å; A122-T125 PolarHBondContact O-OG1 3.43Å; S123-T125 VanDerWaalsContact C-N 3.25Å; S123-T125 PolarHBondContact O-N 3.36Å; T125-N127 PolarHBondContact O-N 3.33Å; T125-L131 HydrophobicContact CG2-CD2 4.48Å; T125-W187 HydrophobicContact CG2-CH2 3.74Å; T125-W187 HydrophobicContact CG2-CZ2 3.9Å
126	L	88.8	Confident	93.8	Very high	72 Å²	72	17.9 Å²	17.9	38%	0.377	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.2	174.1	-57.8	172.6	0	0	0	112.5	S123 L124 T277	S123-L126 WeakPolarHBondContact O-CB 3.08Å; S123-L126 PolarHBondContact O-N 2.89Å; S123-L126 VanDerWaalsContact O-N 3.1Å; L124-L126 PolarHBondContact O-N 2.99Å; L124-L126 VanDerWaalsContact O-N 3.14Å; L126-T277 HydrophobicContact CD1-CG2 4.15Å
127	N	89	Confident	93.7	Very high	31 Å²	31	24.4 Å²	24.4	17%	0.166	13%	0.125	C	C	.	.			trans	-135.7	88.7	-179.4	-170.5	-27.6	0	0	0	110.8	L124 T125 T129 L130 L131 G245	L124-N127 PolarHBondContact O-N 2.84Å; T125-N127 PolarHBondContact O-N 3.33Å; N127-T129 PolarHBondContact O-N 2.91Å; N127-T129 PolarHBondContact OD1-N 3.36Å; N127-L130 HydrophobicContact CB-CB 4.27Å; N127-L130 HydrophobicContact CB-CD1 3.99Å; N127-L130 HydrophobicContact CB-CG 4.16Å; N127-L130 VanDerWaalsContact ND2-CD1 3.35Å; N127-L130 WeakPolarHBondContact ND2-CD1 3.45Å; N127-L130 PolarHBondContact O-N 3.42Å; N127-L130 PolarHBondContact OD1-N 2.89Å; N127-L131 PolarHBondContact O-N 3.33Å; N127-G245 PolarHBondContact ND2-O 3.33Å
128	D	88.3	Confident	93.4	Very high	101 Å²	101	27.6 Å²	27.6	54%	0.54	16%	0.158	S	C	.	.	H	α-helix	trans	-49.1	-37.5	179.6	-70.8	2.6	0	0	0	113.4	L130 L131 H132	D128-L130 PolarHBondContact O-N 3.27Å; D128-L131 PolarHBondContact O-N 3.24Å; D128-H132 WeakPolarHBondContact O-CB 3.48Å; D128-H132 PolarHBondContact O-CD2 3.39Å; D128-H132 PolarHBondContact O-N 2.91Å
129	T	88.6	Confident	93.5	Very high	52 Å²	52	28.4 Å²	28.4	32%	0.319	16%	0.162	S	C	.	.	H	α-helix	trans	-65.3	-41.6	-179.8	-67.4	0	0	0	0	111.6	N127 R133 K359	N127-T129 PolarHBondContact O-N 2.91Å; N127-T129 PolarHBondContact OD1-N 3.36Å; T129-R133 WeakPolarHBondContact O-CG 3.23Å; T129-R133 PolarHBondContact O-N 3.02Å; T129-K359 HydrophobicContact CG2-CD 3.79Å; T129-K359 HydrophobicContact CG2-CG 4.18Å
130	L	90.9	Very high	93.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-72.9	-40.5	176	-63	178.5	0	0	0	111.4	L124 N127 D128 H132 R133 V134 T218 L247 L353 A357	L124-L130 HydrophobicContact CD1-CB 3.6Å; N127-L130 HydrophobicContact CB-CB 4.27Å; N127-L130 HydrophobicContact CB-CD1 3.99Å; N127-L130 HydrophobicContact CB-CG 4.16Å; N127-L130 VanDerWaalsContact ND2-CD1 3.35Å; N127-L130 WeakPolarHBondContact ND2-CD1 3.45Å; N127-L130 PolarHBondContact O-N 3.42Å; N127-L130 PolarHBondContact OD1-N 2.89Å; D128-L130 PolarHBondContact O-N 3.27Å; L130-H132 VanDerWaalsContact C-N 3.26Å; L130-H132 PolarHBondContact O-N 2.95Å; L130-R133 WeakPolarHBondContact O-CA 3.42Å; L130-R133 VanDerWaalsContact O-CB 3.29Å; L130-R133 WeakPolarHBondContact O-CB 3.27Å; L130-R133 PolarHBondContact O-N 3.2Å; L130-V134 PolarHBondContact O-N 3.29Å; L130-T218 HydrophobicContact CD1-CG2 4.1Å; L130-L247 HydrophobicContact CD1-CD2 4.31Å; L130-L353 HydrophobicContact CD1-CD1 3.74Å; L130-L353 HydrophobicContact CD1-CD2 3.52Å; L130-L353 HydrophobicContact CD1-CG 4.27Å; L130-L353 HydrophobicContact CD2-CD1 4.36Å; L130-L353 HydrophobicContact CD2-CD2 4.28Å; L130-L353 HydrophobicContact CG-CD1 4.48Å; L130-A357 HydrophobicContact CD2-CB 3.67Å
131	L	94.1	Very high	93.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-55.1	-45.9	177.2	-178.5	63.1	0	0	0	110.8	A102 L124 T125 N127 D128 R133 V134 V135 W187	A102-L131 HydrophobicContact CB-CD2 3.53Å; L124-L131 HydrophobicContact CD2-CD1 3.79Å; L124-L131 HydrophobicContact CG-CB 4.29Å; L124-L131 HydrophobicContact CG-CD1 3.96Å; T125-L131 HydrophobicContact CG2-CD2 4.48Å; N127-L131 PolarHBondContact O-N 3.33Å; D128-L131 PolarHBondContact O-N 3.24Å; L131-R133 PolarHBondContact O-N 2.79Å; L131-V134 PolarHBondContact O-N 3.25Å; L131-V135 HydrophobicContact CD1-CB 4.5Å; L131-V135 HydrophobicContact CD1-CG2 3.89Å; L131-V135 PolarHBondContact O-N 2.91Å; L131-W187 HydrophobicContact CD1-CH2 4.06Å; L131-W187 HydrophobicContact CD1-CZ3 3.96Å
132	H	93.7	Very high	93.5	Very high	60 Å²	60	34 Å²	34	28%	0.278	19%	0.191	S	C	.	.	H	α-helix	trans	-72.5	-11.5	178.3	-67.5	-48.2	0	0	0	115	D128 L130 V135 H137	D128-H132 WeakPolarHBondContact O-CB 3.48Å; D128-H132 PolarHBondContact O-CD2 3.39Å; D128-H132 PolarHBondContact O-N 2.91Å; L130-H132 VanDerWaalsContact C-N 3.26Å; L130-H132 PolarHBondContact O-N 2.95Å; H132-V135 WeakPolarHBondContact CA-O 3.38Å; H132-V135 PolarHBondContact ND1-O 2.93Å; H132-H137 AromaticContact CD2-CE1 3.18Å; H132-H137 PolarHBondContact CD2-CE1 3.49Å; H132-H137 AromaticContact CD2-NE2 3.49Å; H132-H137 PolarHBondContact CD2-NE2 3.03Å; H132-H137 AromaticContact CE1-CE1 3.22Å; H132-H137 PolarHBondContact CE1-CE1 3.14Å; H132-H137 AromaticContact CE1-ND1 3.55Å; H132-H137 AromaticContact CG-CE1 3.17Å; H132-H137 AromaticContact CG-ND1 3.92Å; H132-H137 AromaticContact CG-NE2 3.27Å; H132-H137 VanDerWaalsContact CG-NE2 3.27Å; H132-H137 AromaticContact ND1-CE1 3.19Å; H132-H137 PolarHBondContact ND1-CE1 3.15Å; H132-H137 AromaticContact ND1-ND1 3.5Å; H132-H137 AromaticContact ND1-NE2 3.68Å; H132-H137 AromaticContact NE2-CE1 3.19Å; H132-H137 PolarHBondContact NE2-CE1 2.75Å; H132-H137 AromaticContact NE2-ND1 3.95Å; H132-H137 AromaticContact NE2-NE2 3.98Å
133	R	94.3	Very high	93.6	Very high	22 Å²	22	40 Å²	40	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-71.7	-37.4	165.6	-64.7	-173.8	80.5	-176.6	11.4	111	H31 T129 L130 L131 Q152 W159 D356 A357	H31-R133 VanDerWaalsContact CG-NH2 3.31Å; H31-R133 WeakPolarHBondContact NE2-CA 3.31Å; H31-R133 WeakPolarHBondContact NE2-CB 3.27Å; H31-R133 PolarHBondContact NE2-O 2.77Å; H31-R133 VanDerWaalsContact NE2-O 3.11Å; T129-R133 WeakPolarHBondContact O-CG 3.23Å; T129-R133 PolarHBondContact O-N 3.02Å; L130-R133 WeakPolarHBondContact O-CA 3.42Å; L130-R133 VanDerWaalsContact O-CB 3.29Å; L130-R133 WeakPolarHBondContact O-CB 3.27Å; L130-R133 PolarHBondContact O-N 3.2Å; L131-R133 PolarHBondContact O-N 2.79Å; R133-Q152 WeakPolarHBondContact O-CB 3.33Å; R133-Q152 PolarHBondContact O-OE1 3.05Å; R133-W159 HydrophobicContact CB-CH2 4.24Å; R133-D356 IonicContact CZ-OD2 2.85Å; R133-D356 VanDerWaalsContact CZ-OD2 3.3Å; R133-D356 IonicContact NH1-OD2 3.98Å; R133-D356 PolarHBondContact NH1-OD2 3.4Å; R133-D356 IonicContact NH2-OD2 3.57Å; R133-D356 PolarHBondContact NH2-OD2 3.45Å; R133-A357 VanDerWaalsContact NH1-CA 3.33Å
134	V	97.8	Very high	93.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-87.5	-37.9	-178	178	0	0	0	0	112.4	L124 L130 L131 P136 F151 Q152 L153 W159 L191 F217	L124-V134 HydrophobicContact CD2-CB 4.07Å; L124-V134 HydrophobicContact CD2-CG1 4.33Å; L124-V134 HydrophobicContact CD2-CG2 3.96Å; L130-V134 PolarHBondContact O-N 3.29Å; L131-V134 PolarHBondContact O-N 3.25Å; V134-P136 VanDerWaalsContact O-CD 3.32Å; V134-P136 WeakPolarHBondContact O-CD 3.26Å; V134-F151 CarbonylContact O-C 3.24Å; V134-F151 VanDerWaalsContact O-CA 3.26Å; V134-F151 WeakPolarHBondContact O-CA 3.44Å; V134-F151 WeakPolarHBondContact O-CB 3.32Å; V134-Q152 WeakPolarHBondContact CA-O 3.3Å; V134-Q152 PolarHBondContact O-N 3.15Å; V134-L153 HydrophobicContact CG1-CD2 4.13Å; V134-W159 HydrophobicContact CG2-CZ3 4.43Å; V134-L191 HydrophobicContact CG1-CD1 3.7Å; V134-L191 HydrophobicContact CG1-CD2 4.24Å; V134-F217 HydrophobicContact CG1-CD1 3.95Å; V134-F217 HydrophobicContact CG1-CE1 4.4Å; V134-F217 HydrophobicContact CG2-CB 3.92Å; V134-F217 HydrophobicContact CG2-CD1 4.22Å; V134-F217 HydrophobicContact CG2-CG 4.42Å; V134-F217 WeakPolarHBondContact CG2-O 3.29Å
135	V	97.6	Very high	93.8	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	25%	0.248	C	C	.	.	S	Bend	trans	-116.3	87.3	-176.9	-172.9	0	0	0	0	108.5	F97 I98 L131 H132 F151 W187 L191	F97-V135 HydrophobicContact CE1-CG1 3.66Å; F97-V135 HydrophobicContact CZ-CG1 3.79Å; I98-V135 HydrophobicContact CD1-CG1 4.27Å; L131-V135 HydrophobicContact CD1-CB 4.5Å; L131-V135 HydrophobicContact CD1-CG2 3.89Å; L131-V135 PolarHBondContact O-N 2.91Å; H132-V135 WeakPolarHBondContact CA-O 3.38Å; H132-V135 PolarHBondContact ND1-O 2.93Å; V135-F151 HydrophobicContact CB-CD1 4.43Å; V135-F151 HydrophobicContact CB-CE1 4.46Å; V135-F151 HydrophobicContact CG1-CD1 4.42Å; V135-F151 HydrophobicContact CG1-CE1 4.03Å; V135-F151 HydrophobicContact CG2-CD1 4.01Å; V135-F151 HydrophobicContact CG2-CE1 4.07Å; V135-W187 HydrophobicContact CG2-CE3 3.91Å; V135-W187 HydrophobicContact CG2-CZ3 4.07Å; V135-L191 HydrophobicContact CG2-CD2 4.29Å
136	P	96	Very high	94	Very high	20 Å²	20	43.4 Å²	43.4	13%	0.13	25%	0.246	C	C	.	.			trans	-58.1	146	-177.8	-27.6	37	0	0	0	113.1	V134 Q139 H150 Q152	V134-P136 VanDerWaalsContact O-CD 3.32Å; V134-P136 WeakPolarHBondContact O-CD 3.26Å; P136-Q139 PolarHBondContact O-NE2 2.7Å; P136-H150 WeakPolarHBondContact CB-NE2 3.4Å; P136-H150 WeakPolarHBondContact CG-NE2 3.37Å; P136-Q152 HydrophobicContact CG-CG 4.36Å
137	H	92.2	Very high	94.4	Very high	140 Å²	140	40 Å²	40	65%	0.648	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	166	173.8	-61	-76.8	0	0	0	112.5	H132 Q139	H132-H137 AromaticContact CD2-CE1 3.18Å; H132-H137 PolarHBondContact CD2-CE1 3.49Å; H132-H137 AromaticContact CD2-NE2 3.49Å; H132-H137 PolarHBondContact CD2-NE2 3.03Å; H132-H137 AromaticContact CE1-CE1 3.22Å; H132-H137 PolarHBondContact CE1-CE1 3.14Å; H132-H137 AromaticContact CE1-ND1 3.55Å; H132-H137 AromaticContact CG-CE1 3.17Å; H132-H137 AromaticContact CG-ND1 3.92Å; H132-H137 AromaticContact CG-NE2 3.27Å; H132-H137 VanDerWaalsContact CG-NE2 3.27Å; H132-H137 AromaticContact ND1-CE1 3.19Å; H132-H137 PolarHBondContact ND1-CE1 3.15Å; H132-H137 AromaticContact ND1-ND1 3.5Å; H132-H137 AromaticContact ND1-NE2 3.68Å; H132-H137 AromaticContact NE2-CE1 3.19Å; H132-H137 PolarHBondContact NE2-CE1 2.75Å; H132-H137 AromaticContact NE2-ND1 3.95Å; H132-H137 AromaticContact NE2-NE2 3.98Å; H137-Q139 VanDerWaalsContact C-N 3.35Å
138	G	92	Very high	94.9	Very high	67 Å²	67	38.7 Å²	38.7	69%	0.691	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.3	4.7	172	0	0	0	0	0	115
139	Q	96.7	Very high	95.4	Very high	16 Å²	16	34 Å²	34	8%	0.075	20%	0.196	C	C	.	.			trans	-87	136.2	174.9	-59.5	-173.5	84.1	0	0	110.8	F97 P136 H137 F149 H150	F97-Q139 HydrophobicContact CD1-CB 3.73Å; F97-Q139 HydrophobicContact CE1-CB 3.68Å; F97-Q139 HydrophobicContact CE1-CG 4.38Å; F97-Q139 HydrophobicContact CE2-CB 4.49Å; F97-Q139 HydrophobicContact CG-CB 4.17Å; F97-Q139 HydrophobicContact CZ-CB 4.08Å; P136-Q139 PolarHBondContact O-NE2 2.7Å; H137-Q139 VanDerWaalsContact C-N 3.35Å; Q139-F149 HydrophobicContact CB-CD1 3.98Å; Q139-F149 HydrophobicContact CB-CE1 4.19Å; Q139-F149 HydrophobicContact CG-CD1 4.46Å; Q139-H150 PolarHBondContact NE2-O 3.3Å; Q139-H150 PolarHBondContact OE1-O 3.31Å
140	S	96.7	Very high	95.9	Very high	28 Å²	28	32.6 Å²	32.6	20%	0.196	19%	0.186	C	C	.	.			trans	-161.1	150.3	-175.6	172.6	0	0	0	0	111.3	Q142 N143	S140-Q142 VanDerWaalsContact C-N 3.35Å; S140-Q142 PolarHBondContact OG-N 2.82Å; S140-Q142 PolarHBondContact OG-OE1 3.1Å; S140-N143 PolarHBondContact OG-N 3.3Å; S140-N143 VanDerWaalsContact OG-N 3.16Å
141	F	97.5	Very high	96.3	Very high	12 Å²	12	32.6 Å²	32.6	5%	0.053	19%	0.186	C	C	.	.	S	Bend	trans	-84.5	-9.9	169.3	-70.1	-84.5	0	0	0	113.2	P88 T89 P95 Q96 F97 Y145 F149 D166 F186 L190	P88-F141 HydrophobicContact CB-CD1 4.47Å; P88-F141 HydrophobicContact CB-CE1 3.79Å; P88-F141 HydrophobicContact CB-CZ 3.97Å; P88-F141 HydrophobicContact CG-CE1 3.73Å; P88-F141 HydrophobicContact CG-CZ 3.72Å; T89-F141 HydrophobicContact CG2-CD1 4.27Å; P95-F141 HydrophobicContact CB-CB 4.47Å; P95-F141 HydrophobicContact CB-CD1 4.26Å; P95-F141 HydrophobicContact CB-CD2 4.13Å; P95-F141 HydrophobicContact CB-CE2 4.44Å; P95-F141 HydrophobicContact CB-CG 4.04Å; P95-F141 HydrophobicContact CG-CB 3.95Å; P95-F141 HydrophobicContact CG-CD1 4Å; P95-F141 HydrophobicContact CG-CD2 4.47Å; P95-F141 HydrophobicContact CG-CG 3.9Å; P95-F141 WeakPolarHBondContact O-CB 3.33Å; Q96-F141 VanDerWaalsContact C-CD2 3.46Å; Q96-F141 WeakPolarHBondContact O-CE2 3.21Å; F97-F141 HydrophobicContact CB-CD2 4.21Å; F97-F141 HydrophobicContact CB-CE2 4.17Å; F97-F141 HydrophobicContact CD2-CE2 4.4Å; F141-Y145 HydrophobicContact CD1-CD2 4.01Å; F141-Y145 AromaticContact CD1-CE2 3.61Å; F141-Y145 HydrophobicContact CD1-CE2 3.61Å; F141-Y145 HydrophobicContact CE1-CE2 4.1Å; F141-Y145 WeakPolarHBondContact O-CB 3.35Å; F141-F149 HydrophobicContact CD1-CE2 4.31Å; F141-F149 AromaticContact CD1-CZ 3.88Å; F141-F149 HydrophobicContact CD1-CZ 3.88Å; F141-F149 HydrophobicContact CD2-CZ 4.13Å; F141-F149 AromaticContact CE1-CE2 3.69Å; F141-F149 HydrophobicContact CE1-CE2 3.69Å; F141-F149 AromaticContact CE1-CZ 3.55Å; F141-F149 HydrophobicContact CE1-CZ 3.55Å; F141-F149 HydrophobicContact CE2-CE1 4.36Å; F141-F149 AromaticContact CE2-CZ 3.83Å; F141-F149 HydrophobicContact CE2-CZ 3.83Å; F141-F149 HydrophobicContact CG-CZ 4.15Å; F141-F149 HydrophobicContact CZ-CE1 4.37Å; F141-F149 AromaticContact CZ-CE2 3.85Å; F141-F149 HydrophobicContact CZ-CE2 3.85Å; F141-F149 AromaticContact CZ-CZ 3.51Å; F141-F149 HydrophobicContact CZ-CZ 3.51Å; F141-D166 HydrophobicContact CE1-CB 4.28Å; F141-D166 WeakPolarHBondContact CE1-OD2 3.43Å; F141-F186 HydrophobicContact CE2-CB 4.03Å; F141-F186 HydrophobicContact CE2-CD2 4.32Å; F141-F186 HydrophobicContact CZ-CB 4.02Å; F141-F186 HydrophobicContact CZ-CD2 4.49Å; F141-F186 HydrophobicContact CZ-CG 4.44Å; F141-L190 HydrophobicContact CZ-CD1 4.11Å
142	Q	95.4	Very high	96.5	Very high	78 Å²	78	33.8 Å²	33.8	36%	0.364	19%	0.191	S	C	.	.	S	Bend	trans	-100.2	-57	-178.7	-63.6	71.3	25.5	0	0	110.3	N94 P95 S140	N94-Q142 PolarHBondContact OD1-NE2 3.16Å; N94-Q142 VanDerWaalsContact OD1-NE2 3.09Å; P95-Q142 PolarHBondContact O-NE2 3.27Å; S140-Q142 VanDerWaalsContact C-N 3.35Å; S140-Q142 PolarHBondContact OG-N 2.82Å; S140-Q142 PolarHBondContact OG-OE1 3.1Å
143	N	94.1	Very high	96.7	Very high	126 Å²	126	31 Å²	31	67%	0.674	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	111.3	-169.5	-70	-27.7	0	0	0	111.7	S140 Y145	S140-N143 PolarHBondContact OG-N 3.3Å; S140-N143 VanDerWaalsContact OG-N 3.16Å; N143-Y145 VanDerWaalsContact C-N 3.29Å; N143-Y145 PolarHBondContact O-N 2.76Å
144	G	94.2	Very high	96.8	Very high	34 Å²	34	30.5 Å²	30.5	35%	0.351	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	36.8	178.9	0	0	0	0	0	113	R46	R46-G144 PolarHBondContact NE-O 3.47Å; R46-G144 PolarHBondContact NH2-O 2.73Å; R46-G144 VanDerWaalsContact NH2-O 3.11Å
145	Y	97.8	Very high	96.7	Very high	46 Å²	46	31.3 Å²	31.3	18%	0.18	18%	0.18	C	C	.	.			trans	-68	130.7	177.1	172.6	-110.7	0	0	0	111.3	L55 T89 F141 N143 G147 F149 D166	L55-Y145 HydrophobicContact CD1-CE1 4.47Å; L55-Y145 HydrophobicContact CD2-CD1 4.1Å; L55-Y145 HydrophobicContact CD2-CE1 3.53Å; T89-Y145 HydrophobicContact CG2-CE1 3.96Å; T89-Y145 PolarHBondContact OG1-OH 3.25Å; F141-Y145 HydrophobicContact CD1-CD2 4.01Å; F141-Y145 AromaticContact CD1-CE2 3.61Å; F141-Y145 HydrophobicContact CD1-CE2 3.61Å; F141-Y145 HydrophobicContact CE1-CE2 4.1Å; F141-Y145 WeakPolarHBondContact O-CB 3.35Å; N143-Y145 VanDerWaalsContact C-N 3.29Å; N143-Y145 PolarHBondContact O-N 2.76Å; Y145-G147 VanDerWaalsContact CE2-CA 3.46Å; Y145-G147 VanDerWaalsContact CE2-N 3.31Å; Y145-F149 HydrophobicContact CE2-CE2 4.34Å; Y145-D166 VanDerWaalsContact CE2-OD2 3.23Å; Y145-D166 WeakPolarHBondContact CE2-OD2 3.31Å; Y145-D166 PolarHBondContact OH-OD2 2.97Å
146	A	98.1	Very high	96.6	Very high	3 Å²	3	31.7 Å²	31.7	3%	0.025	18%	0.182	C	C	.	.			trans	-138.3	23.2	174.6	0	0	0	0	0	112.1	R46 C49 L50 F56 I148	R46-A146 HydrophobicContact CG-CB 4.31Å; C49-A146 HydrophobicContact CB-CB 3.76Å; L50-A146 HydrophobicContact CD2-CB 4.03Å; L50-A146 HydrophobicContact CG-CB 4.07Å; F56-A146 WeakPolarHBondContact CB-O 2.77Å; F56-A146 PolarHBondContact N-O 3.15Å; A146-I148 VanDerWaalsContact C-N 3.27Å; A146-I148 HydrophobicContact CB-CG2 3.95Å; A146-I148 PolarHBondContact O-N 3.06Å
147	G	98.3	Very high	96.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	63.7	29.6	-178.7	0	0	0	0	0	114.1	R87 Y145 D165 D166	R87-G147 PolarHBondContact NH1-O 3.08Å; Y145-G147 VanDerWaalsContact CE2-CA 3.46Å; Y145-G147 VanDerWaalsContact CE2-N 3.31Å; G147-D165 VanDerWaalsContact O-CA 3.23Å; G147-D165 WeakPolarHBondContact O-CA 3.48Å; G147-D165 WeakPolarHBondContact O-CB 3.26Å; G147-D166 PolarHBondContact O-N 3.06Å
148	I	98.8	Very high	96.5	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.026	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.2	-173.5	-171.9	174.3	0	0	0	110.1	Y42 L45 R46 F56 A146 V163 V164	Y42-I148 HydrophobicContact CD2-CD1 4.17Å; Y42-I148 HydrophobicContact CD2-CG1 4.02Å; Y42-I148 HydrophobicContact CE2-CG1 4.21Å; Y42-I148 HydrophobicContact CE2-CG2 4.15Å; L45-I148 HydrophobicContact CB-CD1 3.55Å; L45-I148 HydrophobicContact CD1-CD1 4.48Å; R46-I148 HydrophobicContact CB-CG2 3.8Å; R46-I148 HydrophobicContact CG-CG2 3.95Å; F56-I148 HydrophobicContact CB-CB 3.72Å; F56-I148 HydrophobicContact CB-CD1 4.35Å; F56-I148 HydrophobicContact CB-CG1 4.31Å; F56-I148 HydrophobicContact CD1-CB 3.84Å; F56-I148 HydrophobicContact CD1-CD1 3.85Å; F56-I148 HydrophobicContact CD1-CG1 3.61Å; F56-I148 HydrophobicContact CD2-CD1 4.22Å; F56-I148 HydrophobicContact CE1-CD1 4.19Å; F56-I148 HydrophobicContact CE1-CG1 4.13Å; F56-I148 HydrophobicContact CG-CB 3.99Å; F56-I148 HydrophobicContact CG-CD1 3.88Å; F56-I148 HydrophobicContact CG-CG1 4.01Å; A146-I148 VanDerWaalsContact C-N 3.27Å; A146-I148 HydrophobicContact CB-CG2 3.95Å; A146-I148 PolarHBondContact O-N 3.06Å; I148-V163 HydrophobicContact CD1-CG1 3.57Å; I148-V163 HydrophobicContact CG1-CG1 3.58Å; I148-V164 WeakPolarHBondContact CA-O 3.47Å
149	F	98.8	Very high	96.8	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.009	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	164.5	179	-66.9	-91.6	0	0	0	109.3	F97 Q139 F141 Y145 F151 V163 V164 D166 L190	F97-F149 HydrophobicContact CB-CE1 4.4Å; F97-F149 AromaticContact CD2-CD1 3.57Å; F97-F149 HydrophobicContact CD2-CD1 3.57Å; F97-F149 AromaticContact CD2-CE1 3.39Å; F97-F149 HydrophobicContact CD2-CE1 3.39Å; F97-F149 HydrophobicContact CD2-CZ 4.32Å; F97-F149 AromaticContact CE2-CD1 3.47Å; F97-F149 HydrophobicContact CE2-CD1 3.47Å; F97-F149 VanDerWaalsContact CE2-CD1 3.47Å; F97-F149 AromaticContact CE2-CE1 3.83Å; F97-F149 HydrophobicContact CE2-CE1 3.83Å; F97-F149 HydrophobicContact CE2-CG 4.3Å; F97-F149 HydrophobicContact CG-CD1 4.41Å; F97-F149 HydrophobicContact CG-CE1 4.02Å; F97-F149 HydrophobicContact CZ-CD1 4.23Å; Q139-F149 HydrophobicContact CB-CD1 3.98Å; Q139-F149 HydrophobicContact CB-CE1 4.19Å; Q139-F149 HydrophobicContact CG-CD1 4.46Å; F141-F149 HydrophobicContact CD1-CE2 4.31Å; F141-F149 AromaticContact CD1-CZ 3.88Å; F141-F149 HydrophobicContact CD1-CZ 3.88Å; F141-F149 HydrophobicContact CD2-CZ 4.13Å; F141-F149 AromaticContact CE1-CE2 3.69Å; F141-F149 HydrophobicContact CE1-CE2 3.69Å; F141-F149 AromaticContact CE1-CZ 3.55Å; F141-F149 HydrophobicContact CE1-CZ 3.55Å; F141-F149 HydrophobicContact CE2-CE1 4.36Å; F141-F149 AromaticContact CE2-CZ 3.83Å; F141-F149 HydrophobicContact CE2-CZ 3.83Å; F141-F149 HydrophobicContact CG-CZ 4.15Å; F141-F149 HydrophobicContact CZ-CE1 4.37Å; F141-F149 AromaticContact CZ-CE2 3.85Å; F141-F149 HydrophobicContact CZ-CE2 3.85Å; F141-F149 AromaticContact CZ-CZ 3.51Å; F141-F149 HydrophobicContact CZ-CZ 3.51Å; Y145-F149 HydrophobicContact CE2-CE2 4.34Å; F149-F151 HydrophobicContact CB-CE2 4.35Å; F149-V163 WeakPolarHBondContact O-CA 3.3Å; F149-V164 HydrophobicContact CB-CG2 4.34Å; F149-V164 PolarHBondContact N-O 3.46Å; F149-V164 PolarHBondContact O-N 3.04Å; F149-D166 HydrophobicContact CD2-CB 3.94Å; F149-D166 HydrophobicContact CE2-CB 3.73Å; F149-L190 HydrophobicContact CB-CD1 4.36Å; F149-L190 HydrophobicContact CD1-CD1 4.08Å; F149-L190 HydrophobicContact CD2-CD1 3.68Å; F149-L190 HydrophobicContact CE1-CD1 4.31Å; F149-L190 HydrophobicContact CE2-CD1 3.95Å; F149-L190 HydrophobicContact CG-CD1 3.77Å; F149-L190 HydrophobicContact CZ-CD1 4.26Å
150	H	98.7	Very high	96.8	Very high	23 Å²	23	22.7 Å²	22.7	11%	0.106	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	155.7	174.9	80.6	144.7	0	0	0	113.3	Y42 P136 Q139 D161 V162 V163	Y42-H150 AromaticContact CD1-NE2 4Å; Y42-H150 HydrophobicContact CD2-CB 3.86Å; Y42-H150 AromaticContact CD2-CG 3.96Å; Y42-H150 HydrophobicContact CG-CB 3.98Å; Y42-H150 AromaticContact CG-CG 3.71Å; Y42-H150 AromaticContact CG-ND1 3.93Å; P136-H150 WeakPolarHBondContact CB-NE2 3.4Å; P136-H150 WeakPolarHBondContact CG-NE2 3.37Å; Q139-H150 PolarHBondContact NE2-O 3.3Å; Q139-H150 PolarHBondContact OE1-O 3.31Å; H150-D161 IonicContact CE1-OD2 3.77Å; H150-D161 PolarHBondContact CE1-OD2 3.27Å; H150-D161 IonicContact CG-OD1 3.37Å; H150-D161 VanDerWaalsContact ND1-CG 3.35Å; H150-D161 IonicContact ND1-OD1 2.72Å; H150-D161 PolarHBondContact ND1-OD1 2.98Å; H150-D161 IonicContact ND1-OD2 3.63Å; H150-D161 PolarHBondContact ND1-OD2 2.95Å; H150-V162 VanDerWaalsContact CA-O 3.26Å; H150-V162 WeakPolarHBondContact CA-O 3.45Å; H150-V163 HydrophobicContact CB-CG2 4.35Å
151	F	98.8	Very high	96.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.7	-179	-59.5	-87.2	0	0	0	109.7	F97 V134 V135 F149 V162 V164 L190 L191 A194	F97-F151 HydrophobicContact CE2-CZ 4.11Å; F97-F151 HydrophobicContact CZ-CE1 4.06Å; F97-F151 HydrophobicContact CZ-CZ 4.02Å; V134-F151 CarbonylContact O-C 3.24Å; V134-F151 VanDerWaalsContact O-CA 3.26Å; V134-F151 WeakPolarHBondContact O-CA 3.44Å; V134-F151 WeakPolarHBondContact O-CB 3.32Å; V135-F151 HydrophobicContact CB-CD1 4.43Å; V135-F151 HydrophobicContact CB-CE1 4.46Å; V135-F151 HydrophobicContact CG1-CD1 4.42Å; V135-F151 HydrophobicContact CG1-CE1 4.03Å; V135-F151 HydrophobicContact CG2-CD1 4.01Å; V135-F151 HydrophobicContact CG2-CE1 4.07Å; F149-F151 HydrophobicContact CB-CE2 4.35Å; F151-V162 PolarHBondContact N-O 2.61Å; F151-V162 PolarHBondContact O-N 2.77Å; F151-V164 HydrophobicContact CD2-CG2 4.32Å; F151-V164 HydrophobicContact CE2-CG2 4.01Å; F151-L190 VanDerWaalsContact CE2-C 3.46Å; F151-L190 HydrophobicContact CE2-CB 3.77Å; F151-L190 WeakPolarHBondContact CE2-O 3.42Å; F151-L190 HydrophobicContact CZ-CB 3.6Å; F151-L191 HydrophobicContact CB-CD1 4.09Å; F151-L191 HydrophobicContact CD1-CB 4.02Å; F151-L191 HydrophobicContact CD1-CD1 3.65Å; F151-L191 HydrophobicContact CD1-CG 4.38Å; F151-L191 HydrophobicContact CE1-CB 3.75Å; F151-L191 HydrophobicContact CE1-CD1 4.28Å; F151-L191 HydrophobicContact CG-CD1 3.91Å; F151-L191 HydrophobicContact CZ-CB 4.14Å; F151-A194 HydrophobicContact CB-CB 4.19Å; F151-A194 HydrophobicContact CD2-CB 3.51Å; F151-A194 HydrophobicContact CE2-CB 4.26Å; F151-A194 HydrophobicContact CG-CB 4.13Å
152	Q	98.4	Very high	97	Very high	27 Å²	27	21.5 Å²	21.5	13%	0.126	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.1	175.8	-59.1	-174.2	-23.7	0	0	110.1	H31 R133 V134 P136 W159 V160 D161	H31-Q152 PolarHBondContact CD2-OE1 2.76Å; H31-Q152 PolarHBondContact NE2-OE1 3.46Å; R133-Q152 WeakPolarHBondContact O-CB 3.33Å; R133-Q152 PolarHBondContact O-OE1 3.05Å; V134-Q152 WeakPolarHBondContact CA-O 3.3Å; V134-Q152 PolarHBondContact O-N 3.15Å; P136-Q152 HydrophobicContact CG-CG 4.36Å; Q152-W159 HydrophobicContact CB-CE3 4.01Å; Q152-W159 HydrophobicContact CB-CZ3 4.34Å; Q152-V160 CarbonylContact C-O 3.57Å; Q152-V160 WeakPolarHBondContact CA-O 3.48Å; Q152-D161 HydrophobicContact CG-CB 4.47Å; Q152-D161 VanDerWaalsContact CG-OD2 3.31Å; Q152-D161 WeakPolarHBondContact CG-OD2 3.26Å; Q152-D161 PolarHBondContact NE2-OD2 3.43Å; Q152-D161 VanDerWaalsContact NE2-OD2 3.12Å
153	L	98.3	Very high	97.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.4	-179.2	-59.8	177.6	0	0	0	108.6	V134 Q155 V160 V162 L191 Y195 V198 F217	V134-L153 HydrophobicContact CG1-CD2 4.13Å; L153-Q155 HydrophobicContact CB-CG 4.41Å; L153-Q155 PolarHBondContact O-N 3.49Å; L153-V160 PolarHBondContact N-O 3.05Å; L153-V160 PolarHBondContact O-N 3.02Å; L153-V162 HydrophobicContact CD1-CG2 4.21Å; L153-V162 HydrophobicContact CG-CG2 4.48Å; L153-L191 HydrophobicContact CD2-CD1 4.14Å; L153-Y195 HydrophobicContact CD1-CD2 3.74Å; L153-Y195 HydrophobicContact CD1-CG 4.44Å; L153-Y195 HydrophobicContact CD2-CD2 4.09Å; L153-V198 HydrophobicContact CD1-CG2 4.06Å; L153-F217 HydrophobicContact CD2-CD1 3.93Å; L153-F217 HydrophobicContact CD2-CE1 3.79Å
154	W	97	Very high	97.4	Very high	13 Å²	13	11.8 Å²	11.8	5%	0.049	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128	166.8	-173.7	94.4	0	0	0	108.6	G157 W159 D216 G219 L370 M424	W154-G157 VanDerWaalsContact CH2-N 3.28Å; W154-W159 HydrophobicContact CB-CD2 4.23Å; W154-W159 HydrophobicContact CB-CE3 4.3Å; W154-W159 HydrophobicContact CB-CH2 4.41Å; W154-W159 HydrophobicContact CB-CZ2 4.32Å; W154-W159 HydrophobicContact CB-CZ3 4.4Å; W154-W159 AromaticContact CD1-NE1 3.76Å; W154-D216 WeakPolarHBondContact CB-O 3.39Å; W154-D216 PolarHBondContact N-O 3.06Å; W154-D216 VanDerWaalsContact O-CA 3.29Å; W154-D216 WeakPolarHBondContact O-CA 3.42Å; W154-D216 WeakPolarHBondContact O-CB 3.25Å; W154-G219 VanDerWaalsContact CD1-CA 3.45Å; W154-G219 VanDerWaalsContact CG-CA 3.46Å; W154-L370 HydrophobicContact CZ2-CD1 4.42Å; W154-M424 HydrophobicContact CH2-CE 3.88Å; W154-M424 HydrophobicContact CH2-SD 4.08Å; W154-M424 HydrophobicContact CZ3-CE 3.69Å; W154-M424 HydrophobicContact CZ3-SD 3.78Å
155	Q	96.3	Very high	97.6	Very high	16 Å²	16	10.2 Å²	10.2	8%	0.075	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	102.3	-178.4	-67.5	-65.9	-70.1	0	0	108.2	L153 G157 E158 V160 V198 D216	L153-Q155 HydrophobicContact CB-CG 4.41Å; L153-Q155 PolarHBondContact O-N 3.49Å; Q155-G157 VanDerWaalsContact C-N 3.3Å; Q155-G157 PolarHBondContact O-N 2.87Å; Q155-E158 PolarHBondContact N-O 2.78Å; Q155-E158 PolarHBondContact O-N 2.91Å; Q155-E158 VanDerWaalsContact O-N 3.15Å; Q155-V160 HydrophobicContact CB-CG2 3.9Å; Q155-V160 HydrophobicContact CG-CB 4.38Å; Q155-V160 HydrophobicContact CG-CG2 4.06Å; Q155-V198 HydrophobicContact CG-CG1 4.13Å; Q155-V198 VanDerWaalsContact OE1-CG1 3.28Å; Q155-D216 VanDerWaalsContact NE2-CG 3.33Å; Q155-D216 PolarHBondContact NE2-OD2 3.12Å; Q155-D216 VanDerWaalsContact NE2-OD2 3.12Å
156	F	94.5	Very high	97.6	Very high	10 Å²	10	8 Å²	8	4%	0.044	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	44	169.4	-43.9	-71.3	0	0	0	113.9	M424 K426 H427 V510	F156-M424 HydrophobicContact CD1-CG 4.21Å; F156-M424 HydrophobicContact CD1-SD 3.61Å; F156-M424 HydrophobicContact CE1-CG 4.49Å; F156-M424 HydrophobicContact CE1-SD 4.05Å; F156-K426 HydrophobicContact CB-CD 4Å; F156-K426 HydrophobicContact CB-CG 3.83Å; F156-K426 HydrophobicContact CD1-CB 3.91Å; F156-K426 HydrophobicContact CD1-CG 3.69Å; F156-K426 HydrophobicContact CD2-CB 4.3Å; F156-K426 HydrophobicContact CD2-CG 4.44Å; F156-K426 HydrophobicContact CE1-CB 4.18Å; F156-K426 HydrophobicContact CE1-CG 4.43Å; F156-K426 HydrophobicContact CG-CB 3.98Å; F156-K426 HydrophobicContact CG-CD 4.33Å; F156-K426 HydrophobicContact CG-CG 3.71Å; F156-H427 AromaticContact CD2-CE1 3.47Å; F156-H427 VanDerWaalsContact CD2-CE1 3.47Å; F156-H427 WeakPolarHBondContact CD2-CE1 3.45Å; F156-H427 AromaticContact CD2-ND1 3.81Å; F156-H427 AromaticContact CE2-CE1 3.49Å; F156-H427 VanDerWaalsContact CE2-CE1 3.49Å; F156-H427 WeakPolarHBondContact CE2-CE1 3.45Å; F156-H427 AromaticContact CE2-ND1 3.32Å; F156-H427 VanDerWaalsContact CE2-ND1 3.32Å; F156-H427 WeakPolarHBondContact CE2-ND1 3.47Å; F156-H427 VanDerWaalsContact CZ-N 3.28Å; F156-V510 HydrophobicContact CB-CG2 3.88Å; F156-V510 WeakPolarHBondContact O-CG2 3.38Å
157	G	92.6	Very high	97.7	Very high	19 Å²	19	8.8 Å²	8.8	20%	0.196	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	-6.1	177.5	0	0	0	0	0	115.4	W154 Q155 L370	W154-G157 VanDerWaalsContact CH2-N 3.28Å; Q155-G157 VanDerWaalsContact C-N 3.3Å; Q155-G157 PolarHBondContact O-N 2.87Å; G157-L370 VanDerWaalsContact CA-CD1 3.44Å
158	E	94.3	Very high	97.7	Very high	14 Å²	14	8.9 Å²	8.9	7%	0.065	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.2	-177.3	-56.2	-179.5	130.6	0	0	110	K20 G29 I35 Q155	K20-E158 IonicContact NZ-OE1 2.68Å; K20-E158 PolarHBondContact NZ-OE1 3.31Å; K20-E158 IonicContact NZ-OE2 2.68Å; K20-E158 PolarHBondContact NZ-OE2 3.04Å; G29-E158 CarbonylContact O-C 3.57Å; G29-E158 WeakPolarHBondContact O-CA 3.49Å; I35-E158 HydrophobicContact CD1-CB 3.8Å; I35-E158 VanDerWaalsContact CD1-CD 3.48Å; I35-E158 HydrophobicContact CD1-CG 4.15Å; I35-E158 WeakPolarHBondContact CD1-OE2 3.38Å; Q155-E158 PolarHBondContact N-O 2.78Å; Q155-E158 PolarHBondContact O-N 2.91Å; Q155-E158 VanDerWaalsContact O-N 3.15Å
159	W	96.9	Very high	97.6	Very high	8 Å²	8	8.8 Å²	8.8	3%	0.03	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	134.8	167.2	-73.6	89.5	0	0	0	110	G29 H31 A34 I35 R133 V134 Q152 W154	G29-W159 PolarHBondContact O-N 2.89Å; H31-W159 HydrophobicContact CB-CD2 4.09Å; H31-W159 HydrophobicContact CB-CG 3.9Å; H31-W159 AromaticContact CD2-CD2 3.72Å; H31-W159 AromaticContact CD2-CE2 3.97Å; H31-W159 AromaticContact CD2-CE3 3.74Å; H31-W159 AromaticContact CD2-CZ3 3.99Å; A34-W159 CarbonylContact C-O 3.53Å; A34-W159 WeakPolarHBondContact CA-O 3.35Å; A34-W159 HydrophobicContact CB-CB 4.08Å; I35-W159 PolarHBondContact N-O 3.24Å; R133-W159 HydrophobicContact CB-CH2 4.24Å; V134-W159 HydrophobicContact CG2-CZ3 4.43Å; Q152-W159 HydrophobicContact CB-CE3 4.01Å; Q152-W159 HydrophobicContact CB-CZ3 4.34Å; W154-W159 HydrophobicContact CB-CD2 4.23Å; W154-W159 HydrophobicContact CB-CE3 4.3Å; W154-W159 HydrophobicContact CB-CH2 4.41Å; W154-W159 HydrophobicContact CB-CZ2 4.32Å; W154-W159 HydrophobicContact CB-CZ3 4.4Å; W154-W159 AromaticContact CD1-NE1 3.76Å
160	V	98	Very high	97.6	Very high	12 Å²	12	9.1 Å²	9.1	7%	0.073	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.7	-176	-179.8	0	0	0	0	108.8	I35 Y37 Q152 L153 Q155 V162	I35-V160 HydrophobicContact CB-CG2 4.34Å; I35-V160 CarbonylContact O-C 3.56Å; I35-V160 VanDerWaalsContact O-CA 3.3Å; I35-V160 WeakPolarHBondContact O-CA 3.13Å; I35-V160 WeakPolarHBondContact O-CG1 3.3Å; Y37-V160 HydrophobicContact CD2-CG1 3.82Å; Y37-V160 HydrophobicContact CG-CG1 4.13Å; Q152-V160 CarbonylContact C-O 3.57Å; Q152-V160 WeakPolarHBondContact CA-O 3.48Å; L153-V160 PolarHBondContact N-O 3.05Å; L153-V160 PolarHBondContact O-N 3.02Å; Q155-V160 HydrophobicContact CB-CG2 3.9Å; Q155-V160 HydrophobicContact CG-CB 4.38Å; Q155-V160 HydrophobicContact CG-CG2 4.06Å; V160-V162 HydrophobicContact CG1-CG2 4.06Å
161	D	98.5	Very high	97.4	Very high	16 Å²	16	11.5 Å²	11.5	9%	0.086	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	120	174.5	-161.6	-90.9	0	0	0	109.4	A34 I35 Y37 H150 Q152	A34-D161 HydrophobicContact CB-CB 4.11Å; I35-D161 PolarHBondContact O-N 3.39Å; Y37-D161 VanDerWaalsContact CB-O 3.24Å; Y37-D161 WeakPolarHBondContact CB-O 3.43Å; Y37-D161 PolarHBondContact N-O 3.31Å; H150-D161 IonicContact CE1-OD2 3.77Å; H150-D161 PolarHBondContact CE1-OD2 3.27Å; H150-D161 IonicContact CG-OD1 3.37Å; H150-D161 VanDerWaalsContact ND1-CG 3.35Å; H150-D161 IonicContact ND1-OD1 2.72Å; H150-D161 PolarHBondContact ND1-OD1 2.98Å; H150-D161 IonicContact ND1-OD2 3.63Å; H150-D161 PolarHBondContact ND1-OD2 2.95Å; Q152-D161 HydrophobicContact CG-CB 4.47Å; Q152-D161 VanDerWaalsContact CG-OD2 3.31Å; Q152-D161 WeakPolarHBondContact CG-OD2 3.26Å; Q152-D161 PolarHBondContact NE2-OD2 3.43Å; Q152-D161 VanDerWaalsContact NE2-OD2 3.12Å
162	V	98.8	Very high	97.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	110	-171.7	-174	0	0	0	0	109	Y37 H150 F151 L153 V160 A194 K197 V198	Y37-V162 HydrophobicContact CD1-CG1 4.34Å; Y37-V162 HydrophobicContact CG-CG2 4.44Å; H150-V162 VanDerWaalsContact CA-O 3.26Å; H150-V162 WeakPolarHBondContact CA-O 3.45Å; F151-V162 PolarHBondContact N-O 2.61Å; F151-V162 PolarHBondContact O-N 2.77Å; L153-V162 HydrophobicContact CD1-CG2 4.21Å; L153-V162 HydrophobicContact CG-CG2 4.48Å; V160-V162 HydrophobicContact CG1-CG2 4.06Å; V162-A194 HydrophobicContact CB-CB 4.36Å; V162-A194 HydrophobicContact CG1-CB 3.98Å; V162-K197 HydrophobicContact CG1-CD 4.1Å; V162-K197 HydrophobicContact CG1-CG 4.49Å; V162-V198 HydrophobicContact CB-CG2 4.28Å; V162-V198 HydrophobicContact CG1-CG2 3.9Å; V162-V198 HydrophobicContact CG2-CG2 3.37Å
163	V	98.8	Very high	96.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	139.2	174.7	-178.3	0	0	0	0	110	Q40 L45 F56 I148 F149 H150 K197	Q40-V163 HydrophobicContact CB-CB 4.25Å; Q40-V163 HydrophobicContact CB-CG2 4.14Å; L45-V163 HydrophobicContact CD1-CG1 4.25Å; F56-V163 HydrophobicContact CE1-CG1 3.85Å; F56-V163 HydrophobicContact CZ-CG1 4.19Å; I148-V163 HydrophobicContact CD1-CG1 3.57Å; I148-V163 HydrophobicContact CG1-CG1 3.58Å; F149-V163 WeakPolarHBondContact O-CA 3.3Å; H150-V163 HydrophobicContact CB-CG2 4.35Å; V163-K197 PolarHBondContact O-NZ 3.39Å
164	V	98.9	Very high	96.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.6	171.2	-69.6	0	0	0	0	110.6	I148 F149 F151 K193 A194 K197	I148-V164 WeakPolarHBondContact CA-O 3.47Å; F149-V164 HydrophobicContact CB-CG2 4.34Å; F149-V164 PolarHBondContact N-O 3.46Å; F149-V164 PolarHBondContact O-N 3.04Å; F151-V164 HydrophobicContact CD2-CG2 4.32Å; F151-V164 HydrophobicContact CE2-CG2 4.01Å; V164-K193 HydrophobicContact CB-CD 4.47Å; V164-K193 HydrophobicContact CG1-CG 4.39Å; V164-A194 HydrophobicContact CG1-CB 3.86Å; V164-A194 HydrophobicContact CG2-CB 4.42Å; V164-K197 HydrophobicContact CG1-CD 3.96Å
165	D	98.8	Very high	96.6	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	167.3	160.4	71.3	34.4	0	0	0	111.1	F56 R57 D58 G147 L167 K193	F56-D165 HydrophobicContact CD1-CB 3.68Å; F56-D165 HydrophobicContact CE1-CB 4.23Å; F56-D165 WeakPolarHBondContact O-CB 3.12Å; R57-D165 WeakPolarHBondContact CA-OD2 3.39Å; D58-D165 HydrophobicContact CB-CB 4.27Å; D58-D165 PolarHBondContact N-OD2 2.68Å; G147-D165 VanDerWaalsContact O-CA 3.23Å; G147-D165 WeakPolarHBondContact O-CA 3.48Å; G147-D165 WeakPolarHBondContact O-CB 3.26Å; D165-L167 WeakPolarHBondContact OD1-CB 3.29Å; D165-L167 PolarHBondContact OD1-N 2.91Å; D165-L167 VanDerWaalsContact OD1-N 3.1Å; D165-K193 PolarHBondContact O-NZ 2.99Å; D165-K193 IonicContact OD1-NZ 3.47Å; D165-K193 PolarHBondContact OD1-NZ 2.61Å
166	D	98.7	Very high	96.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-92.6	16.9	-179.3	68	-13.5	0	0	0	114.7	R87 P88 F141 Y145 G147 F149 L168 L190	R87-D166 WeakPolarHBondContact CA-O 3.44Å; R87-D166 WeakPolarHBondContact CD-OD1 3.35Å; R87-D166 WeakPolarHBondContact CG-OD1 3.18Å; R87-D166 IonicContact CZ-OD1 2.72Å; R87-D166 IonicContact NE-OD1 2.75Å; R87-D166 IonicContact NH1-OD1 2.94Å; R87-D166 PolarHBondContact NH1-OD1 2.93Å; P88-D166 WeakPolarHBondContact CD-O 3.15Å; F141-D166 HydrophobicContact CE1-CB 4.28Å; F141-D166 WeakPolarHBondContact CE1-OD2 3.43Å; Y145-D166 VanDerWaalsContact CE2-OD2 3.23Å; Y145-D166 WeakPolarHBondContact CE2-OD2 3.31Å; Y145-D166 PolarHBondContact OH-OD2 2.97Å; G147-D166 PolarHBondContact O-N 3.06Å; F149-D166 HydrophobicContact CD2-CB 3.94Å; F149-D166 HydrophobicContact CE2-CB 3.73Å; D166-L168 PolarHBondContact O-N 2.74Å; D166-L190 HydrophobicContact CB-CD2 3.93Å
167	L	98.7	Very high	96.7	Very high	18 Å²	18	29 Å²	29	9%	0.094	16%	0.162	C	C	.	.			trans	-70.6	118.9	171.6	-71.6	164.7	0	0	0	109.9	P63 W85 R87 D165 K193	P63-L167 HydrophobicContact CB-CD1 4.06Å; P63-L167 HydrophobicContact CG-CD1 3.88Å; W85-L167 HydrophobicContact CB-CB 4.33Å; W85-L167 HydrophobicContact CB-CD2 4.46Å; W85-L167 HydrophobicContact CE3-CB 4.07Å; W85-L167 WeakPolarHBondContact CZ3-O 3.48Å; R87-L167 HydrophobicContact CG-CD2 3.6Å; R87-L167 HydrophobicContact CG-CG 4.03Å; D165-L167 WeakPolarHBondContact OD1-CB 3.29Å; D165-L167 PolarHBondContact OD1-N 2.91Å; D165-L167 VanDerWaalsContact OD1-N 3.1Å; L167-K193 WeakPolarHBondContact O-CE 3.47Å; L167-K193 PolarHBondContact O-NZ 3.22Å
168	L	98.6	Very high	96.9	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.1	-179.2	-67.6	167.7	0	0	0	111.4	W85 K86 P88 D166 I170 L175 F186 A189 L190 K193	W85-L168 WeakPolarHBondContact CA-O 3.44Å; K86-L168 PolarHBondContact N-O 3.4Å; K86-L168 PolarHBondContact O-N 3.35Å; P88-L168 HydrophobicContact CG-CD1 4.16Å; D166-L168 PolarHBondContact O-N 2.74Å; L168-I170 PolarHBondContact O-N 3.32Å; L168-L175 HydrophobicContact CB-CD2 3.54Å; L168-L175 HydrophobicContact CD1-CD2 3.68Å; L168-L175 HydrophobicContact CG-CD2 4.16Å; L168-F186 HydrophobicContact CD1-CD1 3.88Å; L168-F186 HydrophobicContact CD1-CE1 4.5Å; L168-A189 HydrophobicContact CD1-CB 3.88Å; L168-A189 HydrophobicContact CD2-CB 4.09Å; L168-L190 HydrophobicContact CD1-CD2 4.5Å; L168-L190 HydrophobicContact CD2-CD2 4.16Å; L168-L190 HydrophobicContact CG-CD2 4.42Å; L168-K193 HydrophobicContact CD2-CD 4.26Å
169	P	98	Very high	96.9	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.019	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	120.7	173.1	-24.3	37.8	0	0	0	111.9	L68 I83 W85 V176 F177 Y202	L68-P169 HydrophobicContact CD2-CB 3.99Å; L68-P169 HydrophobicContact CD2-CG 3.65Å; I83-P169 HydrophobicContact CG2-CB 3.87Å; W85-P169 HydrophobicContact CD2-CG 4.31Å; W85-P169 HydrophobicContact CE3-CG 4.06Å; W85-P169 HydrophobicContact CH2-CG 3.79Å; W85-P169 HydrophobicContact CZ2-CG 4.02Å; W85-P169 HydrophobicContact CZ3-CG 3.79Å; P169-V176 HydrophobicContact CB-CB 4.34Å; P169-V176 HydrophobicContact CB-CG2 4.38Å; P169-V176 WeakPolarHBondContact O-CG2 3.48Å; P169-V176 PolarHBondContact O-N 3.25Å; P169-F177 HydrophobicContact CB-CD2 4.18Å; P169-F177 HydrophobicContact CB-CE2 3.97Å; P169-F177 HydrophobicContact CG-CD2 3.94Å; P169-F177 HydrophobicContact CG-CE2 3.72Å; P169-Y202 HydrophobicContact CG-CE2 4Å
170	I	97.3	Very high	96.8	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.041	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.4	-179.4	-58.6	-59.2	0	0	0	110	I83 K84 K86 L91 L168 K174 L175	I83-I170 WeakPolarHBondContact CA-O 3.28Å; K84-I170 PolarHBondContact N-O 3Å; K84-I170 PolarHBondContact O-N 2.86Å; K86-I170 HydrophobicContact CB-CG1 4Å; L91-I170 HydrophobicContact CD1-CD1 3.57Å; L91-I170 HydrophobicContact CD1-CG1 4.01Å; L91-I170 HydrophobicContact CD2-CG1 4.36Å; L168-I170 PolarHBondContact O-N 3.32Å; I170-K174 CarbonylContact C-O 3.53Å; I170-K174 VanDerWaalsContact CA-O 3.27Å; I170-K174 WeakPolarHBondContact CA-O 3.23Å; I170-K174 WeakPolarHBondContact CG2-O 3.27Å; I170-L175 HydrophobicContact CD1-CB 4.41Å; I170-L175 HydrophobicContact CD1-CD2 3.48Å; I170-L175 VanDerWaalsContact CD1-CD2 3.48Å; I170-L175 HydrophobicContact CD1-CG 3.87Å
171	K	95.4	Very high	96.3	Very high	73 Å²	73	33.4 Å²	33.4	32%	0.317	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.5	168.8	-168.9	173.8	-178.7	170.2	0	108.8	Y81 I83 G173 K174 V176	Y81-K171 WeakPolarHBondContact O-CE 3.5Å; Y81-K171 PolarHBondContact O-NZ 3.43Å; I83-K171 HydrophobicContact CG1-CB 4.39Å; I83-K171 HydrophobicContact CG1-CD 4.41Å; K171-G173 PolarHBondContact O-N 3.46Å; K171-G173 VanDerWaalsContact O-N 3.08Å; K171-K174 PolarHBondContact N-O 2.93Å; K171-K174 PolarHBondContact O-N 3.06Å; K171-V176 HydrophobicContact CB-CG2 3.6Å
172	D	93.7	Very high	95.8	Very high	152 Å²	152	37.8 Å²	37.8	81%	0.813	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	36.6	179.6	-53.3	-40.1	0	0	0	113.8	K174	D172-K174 VanDerWaalsContact C-N 3.3Å; D172-K174 PolarHBondContact O-N 3.33Å
173	G	91.2	Very high	95.4	Very high	59 Å²	59	40.5 Å²	40.5	61%	0.608	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	1.3	178.5	0	0	0	0	0	115.6	K171	K171-G173 PolarHBondContact O-N 3.46Å; K171-G173 VanDerWaalsContact O-N 3.08Å
174	K	94.3	Very high	95.2	Very high	161 Å²	161	42.4 Å²	42.4	70%	0.7	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117	153	179.8	-61.8	-174.9	178.2	-172.4	0	112.1	I170 K171 D172	I170-K174 CarbonylContact C-O 3.53Å; I170-K174 VanDerWaalsContact CA-O 3.27Å; I170-K174 WeakPolarHBondContact CA-O 3.23Å; I170-K174 WeakPolarHBondContact CG2-O 3.27Å; K171-K174 PolarHBondContact N-O 2.93Å; K171-K174 PolarHBondContact O-N 3.06Å; D172-K174 VanDerWaalsContact C-N 3.3Å; D172-K174 PolarHBondContact O-N 3.33Å
175	L	96.5	Very high	95.1	Very high	36 Å²	36	42.6 Å²	42.6	19%	0.188	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	135.6	169.4	-73.8	167.5	0	0	0	110.1	L168 I170 H179 F186 A189	L168-L175 HydrophobicContact CB-CD2 3.54Å; L168-L175 HydrophobicContact CD1-CD2 3.68Å; L168-L175 HydrophobicContact CG-CD2 4.16Å; I170-L175 HydrophobicContact CD1-CB 4.41Å; I170-L175 HydrophobicContact CD1-CD2 3.48Å; I170-L175 VanDerWaalsContact CD1-CD2 3.48Å; I170-L175 HydrophobicContact CD1-CG 3.87Å; L175-H179 HydrophobicContact CB-CB 4.11Å; L175-H179 HydrophobicContact CD1-CB 3.61Å; L175-F186 HydrophobicContact CD1-CD1 4.22Å; L175-F186 HydrophobicContact CD1-CE1 3.99Å; L175-A189 HydrophobicContact CD1-CB 4.41Å
176	V	96	Very high	95	Very high	21 Å²	21	42.9 Å²	42.9	13%	0.127	25%	0.25	C	C	.	.	S	Bend	trans	-82.5	-32.3	-179.7	179.4	0	0	0	0	111.4	I83 G110 A111 P169 K171	I83-V176 HydrophobicContact CD1-CG1 4.21Å; I83-V176 HydrophobicContact CD1-CG2 4.25Å; I83-V176 HydrophobicContact CG1-CG2 4.26Å; G110-V176 CarbonylContact C-O 3.42Å; G110-V176 WeakPolarHBondContact CA-O 3.43Å; A111-V176 HydrophobicContact CB-CG1 4.25Å; A111-V176 PolarHBondContact N-O 3.11Å; P169-V176 HydrophobicContact CB-CB 4.34Å; P169-V176 HydrophobicContact CB-CG2 4.38Å; P169-V176 WeakPolarHBondContact O-CG2 3.48Å; P169-V176 PolarHBondContact O-N 3.25Å; K171-V176 HydrophobicContact CB-CG2 3.6Å
177	F	96.7	Very high	95	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.026	25%	0.25	C	C	.	.	S	Bend	trans	-110.8	-151	-174.8	-54.7	-49.9	0	0	0	111	L68 L73 G110 L112 P169 H179 E192 Y202	L68-F177 HydrophobicContact CD2-CE2 3.9Å; L68-F177 HydrophobicContact CD2-CZ 4.17Å; L73-F177 HydrophobicContact CD1-CE1 4.12Å; L73-F177 HydrophobicContact CD1-CZ 4.11Å; G110-F177 WeakPolarHBondContact CA-O 2.87Å; L112-F177 HydrophobicContact CB-CD1 3.6Å; L112-F177 HydrophobicContact CB-CE1 3.88Å; L112-F177 HydrophobicContact CD2-CD1 4.22Å; L112-F177 HydrophobicContact CD2-CE1 4.33Å; L112-F177 HydrophobicContact CG-CD1 4.49Å; P169-F177 HydrophobicContact CB-CD2 4.18Å; P169-F177 HydrophobicContact CB-CE2 3.97Å; P169-F177 HydrophobicContact CG-CD2 3.94Å; P169-F177 HydrophobicContact CG-CE2 3.72Å; F177-H179 PolarHBondContact O-N 3.46Å; F177-H179 PolarHBondContact O-ND1 3.09Å; F177-H179 VanDerWaalsContact O-ND1 3.15Å; F177-E192 WeakPolarHBondContact CB-OE2 3.37Å; F177-Y202 HydrophobicContact CB-CE1 4.45Å; F177-Y202 AromaticContact CD2-CD1 3.37Å; F177-Y202 HydrophobicContact CD2-CD1 3.37Å; F177-Y202 HydrophobicContact CD2-CD2 4.27Å; F177-Y202 AromaticContact CD2-CE1 3.3Å; F177-Y202 HydrophobicContact CD2-CE1 3.3Å; F177-Y202 HydrophobicContact CD2-CE2 4.21Å; F177-Y202 AromaticContact CD2-CG 3.86Å; F177-Y202 HydrophobicContact CD2-CG 3.86Å; F177-Y202 AromaticContact CD2-CZ 3.73Å; F177-Y202 AromaticContact CE2-CD1 3.39Å; F177-Y202 HydrophobicContact CE2-CD1 3.39Å; F177-Y202 AromaticContact CE2-CD2 3.66Å; F177-Y202 HydrophobicContact CE2-CD2 3.66Å; F177-Y202 AromaticContact CE2-CE1 3.71Å; F177-Y202 HydrophobicContact CE2-CE1 3.71Å; F177-Y202 AromaticContact CE2-CE2 3.95Å; F177-Y202 HydrophobicContact CE2-CE2 3.95Å; F177-Y202 AromaticContact CE2-CG 3.34Å; F177-Y202 HydrophobicContact CE2-CG 3.34Å; F177-Y202 AromaticContact CE2-CZ 3.95Å; F177-Y202 HydrophobicContact CG-CD1 4.05Å; F177-Y202 HydrophobicContact CG-CE1 4.11Å; F177-Y202 HydrophobicContact CZ-CD1 4.1Å; F177-Y202 HydrophobicContact CZ-CD2 4.47Å; F177-Y202 AromaticContact CZ-CG 3.91Å; F177-Y202 HydrophobicContact CZ-CG 3.91Å
178	V	96.6	Very high	94.9	Very high	1 Å²	1	42 Å²	42	1%	0.006	25%	0.245	C	C	.	.			trans	-56.4	142.5	-177	75.3	0	0	0	0	112.1	I107 C108 L118 S188 A189 E192	I107-V178 HydrophobicContact CG2-CG2 4.01Å; C108-V178 WeakPolarHBondContact O-CA 3.37Å; L118-V178 HydrophobicContact CD1-CB 4.31Å; L118-V178 HydrophobicContact CD1-CG2 4.14Å; L118-V178 HydrophobicContact CD2-CB 3.81Å; L118-V178 HydrophobicContact CD2-CG1 4.39Å; L118-V178 HydrophobicContact CD2-CG2 3.72Å; V178-S188 WeakPolarHBondContact CG1-O 3.22Å; V178-A189 HydrophobicContact CG1-CB 4.43Å; V178-A189 WeakPolarHBondContact O-CB 3.4Å; V178-E192 WeakPolarHBondContact CB-OE1 3.33Å; V178-E192 HydrophobicContact CG1-CB 3.55Å; V178-E192 VanDerWaalsContact CG1-CD 3.44Å; V178-E192 HydrophobicContact CG1-CG 4.04Å; V178-E192 WeakPolarHBondContact CG1-OE1 3.35Å; V178-E192 PolarHBondContact N-OE1 3.28Å; V178-E192 VanDerWaalsContact N-OE1 3.14Å; V178-E192 PolarHBondContact N-OE2 3.13Å
179	H	95.2	Very high	94.9	Very high	65 Å²	65	41.9 Å²	41.9	30%	0.301	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-149.5	162.3	176.2	55.9	-75.4	0	0	0	110.4	D106 C108 L175 F177	D106-H179 CarbonylContact O-C 3.57Å; D106-H179 VanDerWaalsContact O-O 3.12Å; C108-H179 WeakPolarHBondContact CB-O 3.43Å; C108-H179 PolarHBondContact N-O 3.35Å; C108-H179 PolarHBondContact O-N 2.97Å; C108-H179 VanDerWaalsContact O-N 3.16Å; C108-H179 PolarHBondContact O-ND1 3.29Å; L175-H179 HydrophobicContact CB-CB 4.11Å; L175-H179 HydrophobicContact CD1-CB 3.61Å; F177-H179 PolarHBondContact O-N 3.46Å; F177-H179 PolarHBondContact O-ND1 3.09Å; F177-H179 VanDerWaalsContact O-ND1 3.15Å
180	S	93.8	Very high	94.9	Very high	7 Å²	7	41.8 Å²	41.8	5%	0.049	24%	0.244	C	C	.	.			trans	-81.9	148.2	173.1	-178.5	0	0	0	0	111	D106 E182 E185	D106-S180 WeakPolarHBondContact CA-OG 3.45Å; D106-S180 VanDerWaalsContact O-CA 3.28Å; D106-S180 WeakPolarHBondContact O-CA 3.41Å; D106-S180 PolarHBondContact O-N 3.27Å; S180-E182 WeakPolarHBondContact CB-O 3.47Å; S180-E182 PolarHBondContact O-N 3.21Å; S180-E182 PolarHBondContact OG-N 3.33Å; S180-E182 PolarHBondContact OG-O 2.92Å; S180-E185 PolarHBondContact OG-OE2 2.95Å
181	A	89	Confident	95	Very high	71 Å²	71	41.4 Å²	41.4	59%	0.587	24%	0.242	S	C	*	.	S	Bend	trans	-62.2	-29.1	165.2	0	0	0	0	0	111	T105 G183	T105-A181 PolarHBondContact O-N 3.3Å; A181-G183 PolarHBondContact O-N 3.27Å
182	E	88.1	Confident	95.1	Very high	109 Å²	109	38 Å²	38	51%	0.509	23%	0.227	S	C	.	.	S	Bend	trans	-79.9	109.6	169.1	-171.2	60.6	-112.2	0	0	109.2	V99 S180 N184 E185	V99-E182 HydrophobicContact CG1-CG 4.43Å; V99-E182 HydrophobicContact CG2-CG 4.48Å; S180-E182 WeakPolarHBondContact CB-O 3.47Å; S180-E182 PolarHBondContact O-N 3.21Å; S180-E182 PolarHBondContact OG-N 3.33Å; S180-E182 PolarHBondContact OG-O 2.92Å; E182-N184 WeakPolarHBondContact CG-OD1 3.04Å; E182-N184 PolarHBondContact O-N 2.96Å; E182-E185 HydrophobicContact CB-CB 4.41Å; E182-E185 PolarHBondContact O-N 3Å; E182-E185 VanDerWaalsContact O-N 3.13Å
183	G	88.9	Confident	95.4	Very high	56 Å²	56	30.8 Å²	30.8	58%	0.577	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.9	-164.5	0	0	0	0	0	115.7	L92 A181	L92-G183 WeakPolarHBondContact CD1-O 3.38Å; A181-G183 PolarHBondContact O-N 3.27Å
184	N	95	Very high	95.7	Very high	41 Å²	41	28 Å²	28	22%	0.219	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	9	179.4	73.6	-24.2	0	0	0	114.8	L92 Q96 E182 F186	L92-N184 HydrophobicContact CD1-CB 4.01Å; Q96-N184 PolarHBondContact N-O 2.92Å; E182-N184 WeakPolarHBondContact CG-OD1 3.04Å; E182-N184 PolarHBondContact O-N 2.96Å; N184-F186 VanDerWaalsContact C-CE2 3.46Å; N184-F186 VanDerWaalsContact O-CD2 3.28Å; N184-F186 WeakPolarHBondContact O-CD2 3.43Å; N184-F186 VanDerWaalsContact O-CE2 3.26Å; N184-F186 WeakPolarHBondContact O-CE2 3.3Å
185	E	96.6	Very high	95.9	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.019	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-104.1	137.5	-179.9	-173.1	-179	-137.7	0	0	112.8	Q96 F97 I98 V99 D106 S180 E182	Q96-E185 WeakPolarHBondContact O-CA 3.19Å; F97-E185 WeakPolarHBondContact O-CG 3.4Å; I98-E185 VanDerWaalsContact CA-OE1 3.26Å; I98-E185 WeakPolarHBondContact CA-OE1 3.44Å; V99-E185 HydrophobicContact CG2-CB 3.97Å; V99-E185 HydrophobicContact CG2-CG 4.26Å; V99-E185 PolarHBondContact N-OE1 3.45Å; D106-E185 VanDerWaalsContact CB-OE2 3.31Å; D106-E185 WeakPolarHBondContact CB-OE2 3.23Å; S180-E185 PolarHBondContact OG-OE2 2.95Å; E182-E185 HydrophobicContact CB-CB 4.41Å; E182-E185 PolarHBondContact O-N 3Å; E182-E185 VanDerWaalsContact O-N 3.13Å
186	F	97.8	Very high	96	Very high	6 Å²	6	18.6 Å²	18.6	3%	0.026	12%	0.117	C	C	.	.			trans	-133.6	-0.5	-166.6	-66.1	-86.2	0	0	0	116.8	P88 L92 P95 Q96 F97 F141 L168 L175 N184 S188 A189 L190	P88-F186 HydrophobicContact CB-CD1 4.02Å; P88-F186 HydrophobicContact CB-CD2 3.82Å; P88-F186 HydrophobicContact CB-CE1 3.92Å; P88-F186 HydrophobicContact CB-CE2 3.74Å; P88-F186 HydrophobicContact CB-CG 3.97Å; P88-F186 HydrophobicContact CB-CZ 3.79Å; P88-F186 HydrophobicContact CG-CB 4.3Å; P88-F186 HydrophobicContact CG-CD1 3.61Å; P88-F186 HydrophobicContact CG-CD2 4.12Å; P88-F186 HydrophobicContact CG-CE1 3.89Å; P88-F186 HydrophobicContact CG-CE2 4.39Å; P88-F186 HydrophobicContact CG-CG 3.74Å; P88-F186 HydrophobicContact CG-CZ 4.28Å; L92-F186 HydrophobicContact CD1-CE2 3.85Å; L92-F186 HydrophobicContact CD1-CZ 3.66Å; P95-F186 HydrophobicContact CB-CD2 3.94Å; P95-F186 HydrophobicContact CB-CE2 3.7Å; Q96-F186 PolarHBondContact O-N 3.39Å; Q96-F186 VanDerWaalsContact O-N 3.14Å; F97-F186 PolarHBondContact O-N 3.45Å; F141-F186 HydrophobicContact CE2-CB 4.03Å; F141-F186 HydrophobicContact CE2-CD2 4.32Å; F141-F186 HydrophobicContact CZ-CB 4.02Å; F141-F186 HydrophobicContact CZ-CD2 4.49Å; F141-F186 HydrophobicContact CZ-CG 4.44Å; L168-F186 HydrophobicContact CD1-CD1 3.88Å; L168-F186 HydrophobicContact CD1-CE1 4.5Å; L175-F186 HydrophobicContact CD1-CD1 4.22Å; L175-F186 HydrophobicContact CD1-CE1 3.99Å; N184-F186 VanDerWaalsContact C-CE2 3.46Å; N184-F186 VanDerWaalsContact O-CD2 3.28Å; N184-F186 WeakPolarHBondContact O-CD2 3.43Å; N184-F186 VanDerWaalsContact O-CE2 3.26Å; N184-F186 WeakPolarHBondContact O-CE2 3.3Å; F186-S188 VanDerWaalsContact C-N 3.29Å; F186-S188 PolarHBondContact O-N 2.65Å; F186-A189 PolarHBondContact O-N 3.41Å; F186-L190 HydrophobicContact CB-CD1 4.5Å; F186-L190 WeakPolarHBondContact O-CG 3.06Å; F186-L190 PolarHBondContact O-N 3.33Å; F186-L190 VanDerWaalsContact O-N 3.1Å
187	W	97.7	Very high	96.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.3	-39.3	-178	72.6	-88.4	0	0	0	112.7	F97 I98 A102 D106 I107 I121 T125 L131 V135 L190 L191	F97-W187 HydrophobicContact CD1-CB 4.32Å; F97-W187 HydrophobicContact CD2-CB 4.06Å; F97-W187 HydrophobicContact CE1-CB 4.04Å; F97-W187 HydrophobicContact CE2-CB 3.77Å; F97-W187 HydrophobicContact CG-CB 4.33Å; F97-W187 HydrophobicContact CZ-CB 3.77Å; F97-W187 VanDerWaalsContact O-CB 3.27Å; F97-W187 WeakPolarHBondContact O-CB 3.38Å; F97-W187 PolarHBondContact O-N 3.08Å; I98-W187 HydrophobicContact CD1-CB 4.48Å; I98-W187 HydrophobicContact CD1-CG 4.43Å; I98-W187 HydrophobicContact CG1-CB 3.82Å; I98-W187 HydrophobicContact CG1-CG 3.75Å; A102-W187 HydrophobicContact CB-CD2 4.18Å; A102-W187 HydrophobicContact CB-CH2 4.45Å; A102-W187 HydrophobicContact CB-CZ2 3.72Å; D106-W187 HydrophobicContact CB-CZ2 4.1Å; D106-W187 PolarHBondContact OD2-NE1 2.84Å; I107-W187 HydrophobicContact CD1-CH2 3.91Å; I107-W187 HydrophobicContact CD1-CZ2 3.94Å; I121-W187 HydrophobicContact CG2-CH2 3.5Å; I121-W187 VanDerWaalsContact CG2-CH2 3.5Å; I121-W187 HydrophobicContact CG2-CZ3 3.75Å; T125-W187 HydrophobicContact CG2-CH2 3.74Å; T125-W187 HydrophobicContact CG2-CZ2 3.9Å; L131-W187 HydrophobicContact CD1-CH2 4.06Å; L131-W187 HydrophobicContact CD1-CZ3 3.96Å; V135-W187 HydrophobicContact CG2-CE3 3.91Å; V135-W187 HydrophobicContact CG2-CZ3 4.07Å; W187-L190 PolarHBondContact O-N 2.95Å; W187-L191 HydrophobicContact CE3-CD2 4.31Å; W187-L191 HydrophobicContact CZ3-CD2 3.8Å; W187-L191 WeakPolarHBondContact O-CB 3.12Å; W187-L191 PolarHBondContact O-N 3.33Å
188	S	97.3	Very high	96.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.3	-44.9	-178.2	56.9	0	0	0	0	111.7	D106 V178 F186 L190 L191 E192	D106-S188 WeakPolarHBondContact O-CB 3.46Å; D106-S188 PolarHBondContact O-OG 3.04Å; V178-S188 WeakPolarHBondContact CG1-O 3.22Å; F186-S188 VanDerWaalsContact C-N 3.29Å; F186-S188 PolarHBondContact O-N 2.65Å; S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 2.98Å; S188-L191 PolarHBondContact O-N 2.89Å; S188-E192 PolarHBondContact O-N 3.15Å
189	A	98	Very high	96.1	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-60.4	-39.6	174.9	0	0	0	0	0	112.4	L168 L175 V178 F186 K193	L168-A189 HydrophobicContact CD1-CB 3.88Å; L168-A189 HydrophobicContact CD2-CB 4.09Å; L175-A189 HydrophobicContact CD1-CB 4.41Å; V178-A189 HydrophobicContact CG1-CB 4.43Å; V178-A189 WeakPolarHBondContact O-CB 3.4Å; F186-A189 PolarHBondContact O-N 3.41Å; A189-K193 WeakPolarHBondContact O-CB 3.36Å; A189-K193 PolarHBondContact O-N 3.4Å; A189-K193 VanDerWaalsContact O-N 3.1Å
190	L	98.6	Very high	96	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-74.6	-34.2	178.3	-67.8	172.6	0	0	0	112.5	F97 F141 F149 F151 D166 L168 F186 W187 S188 K193 A194	F97-L190 HydrophobicContact CD2-CD1 4.1Å; F97-L190 HydrophobicContact CE2-CD1 3.93Å; F141-L190 HydrophobicContact CZ-CD1 4.11Å; F149-L190 HydrophobicContact CB-CD1 4.36Å; F149-L190 HydrophobicContact CD1-CD1 4.08Å; F149-L190 HydrophobicContact CD2-CD1 3.68Å; F149-L190 HydrophobicContact CE1-CD1 4.31Å; F149-L190 HydrophobicContact CE2-CD1 3.95Å; F149-L190 HydrophobicContact CG-CD1 3.77Å; F149-L190 HydrophobicContact CZ-CD1 4.26Å; F151-L190 VanDerWaalsContact CE2-C 3.46Å; F151-L190 HydrophobicContact CE2-CB 3.77Å; F151-L190 WeakPolarHBondContact CE2-O 3.42Å; F151-L190 HydrophobicContact CZ-CB 3.6Å; D166-L190 HydrophobicContact CB-CD2 3.93Å; L168-L190 HydrophobicContact CD1-CD2 4.5Å; L168-L190 HydrophobicContact CD2-CD2 4.16Å; L168-L190 HydrophobicContact CG-CD2 4.42Å; F186-L190 HydrophobicContact CB-CD1 4.5Å; F186-L190 WeakPolarHBondContact O-CG 3.06Å; F186-L190 PolarHBondContact O-N 3.33Å; F186-L190 VanDerWaalsContact O-N 3.1Å; W187-L190 PolarHBondContact O-N 2.95Å; S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 2.98Å; L190-K193 WeakPolarHBondContact O-CB 3.36Å; L190-K193 PolarHBondContact O-N 3.32Å; L190-A194 PolarHBondContact O-N 3.49Å
191	L	98.6	Very high	96.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.2	-47.4	173.9	174.8	58.3	0	0	0	111.1	I121 V134 V135 F151 L153 W187 S188 K193 A194 Y195 F217	I121-L191 HydrophobicContact CD1-CD2 4.01Å; I121-L191 HydrophobicContact CD1-CG 4.33Å; I121-L191 HydrophobicContact CG1-CD2 4.03Å; I121-L191 HydrophobicContact CG2-CD2 4.09Å; V134-L191 HydrophobicContact CG1-CD1 3.7Å; V134-L191 HydrophobicContact CG1-CD2 4.24Å; V135-L191 HydrophobicContact CG2-CD2 4.29Å; F151-L191 HydrophobicContact CB-CD1 4.09Å; F151-L191 HydrophobicContact CD1-CB 4.02Å; F151-L191 HydrophobicContact CD1-CD1 3.65Å; F151-L191 HydrophobicContact CD1-CG 4.38Å; F151-L191 HydrophobicContact CE1-CB 3.75Å; F151-L191 HydrophobicContact CE1-CD1 4.28Å; F151-L191 HydrophobicContact CG-CD1 3.91Å; F151-L191 HydrophobicContact CZ-CB 4.14Å; L153-L191 HydrophobicContact CD2-CD1 4.14Å; W187-L191 HydrophobicContact CE3-CD2 4.31Å; W187-L191 HydrophobicContact CZ3-CD2 3.8Å; W187-L191 WeakPolarHBondContact O-CB 3.12Å; W187-L191 PolarHBondContact O-N 3.33Å; S188-L191 PolarHBondContact O-N 2.89Å; L191-K193 VanDerWaalsContact C-N 3.26Å; L191-K193 PolarHBondContact O-N 2.68Å; L191-A194 PolarHBondContact O-N 3.39Å; L191-A194 VanDerWaalsContact O-N 3.15Å; L191-Y195 WeakPolarHBondContact O-CB 3.47Å; L191-Y195 PolarHBondContact O-N 2.92Å; L191-F217 HydrophobicContact CD1-CE1 4.36Å
192	E	98.5	Very high	96.6	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.009	9%	0.089	C	C	.	.	H	α-helix	trans	-58.4	-41.1	174.8	-175.4	-160	-115.3	0	0	110.7	L117 F177 V178 S188 Y195 A196 Y202 L205	L117-E192 HydrophobicContact CD2-CG 4.42Å; F177-E192 WeakPolarHBondContact CB-OE2 3.37Å; V178-E192 WeakPolarHBondContact CB-OE1 3.33Å; V178-E192 HydrophobicContact CG1-CB 3.55Å; V178-E192 VanDerWaalsContact CG1-CD 3.44Å; V178-E192 HydrophobicContact CG1-CG 4.04Å; V178-E192 WeakPolarHBondContact CG1-OE1 3.35Å; V178-E192 PolarHBondContact N-OE1 3.28Å; V178-E192 VanDerWaalsContact N-OE1 3.14Å; V178-E192 PolarHBondContact N-OE2 3.13Å; S188-E192 PolarHBondContact O-N 3.15Å; E192-Y195 PolarHBondContact O-N 3.11Å; E192-A196 WeakPolarHBondContact O-CB 3.43Å; E192-A196 PolarHBondContact O-N 3.02Å; E192-Y202 HydrophobicContact CG-CE1 4.22Å; E192-Y202 WeakPolarHBondContact OE2-CE1 3.32Å; E192-L205 HydrophobicContact CG-CD1 4.3Å
193	K	98.7	Very high	97	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.5	-45.5	173.7	-173.6	177.3	172.6	-176	0	113.1	F61 V164 D165 L167 L168 A189 L190 L191 Y195 A196 K197 Y202	F61-K193 HydrophobicContact CD1-CG 4.44Å; F61-K193 HydrophobicContact CE1-CG 4.2Å; V164-K193 HydrophobicContact CB-CD 4.47Å; V164-K193 HydrophobicContact CG1-CG 4.39Å; D165-K193 PolarHBondContact O-NZ 2.99Å; D165-K193 IonicContact OD1-NZ 3.47Å; D165-K193 PolarHBondContact OD1-NZ 2.61Å; L167-K193 WeakPolarHBondContact O-CE 3.47Å; L167-K193 PolarHBondContact O-NZ 3.22Å; L168-K193 HydrophobicContact CD2-CD 4.26Å; A189-K193 WeakPolarHBondContact O-CB 3.36Å; A189-K193 PolarHBondContact O-N 3.4Å; A189-K193 VanDerWaalsContact O-N 3.1Å; L190-K193 WeakPolarHBondContact O-CB 3.36Å; L190-K193 PolarHBondContact O-N 3.32Å; L191-K193 VanDerWaalsContact C-N 3.26Å; L191-K193 PolarHBondContact O-N 2.68Å; K193-Y195 VanDerWaalsContact C-N 3.28Å; K193-Y195 PolarHBondContact O-N 2.7Å; K193-A196 WeakPolarHBondContact O-CB 3.44Å; K193-A196 PolarHBondContact O-N 3.46Å; K193-K197 WeakPolarHBondContact O-CB 3.3Å; K193-K197 PolarHBondContact O-N 3.23Å; K193-Y202 WeakPolarHBondContact CA-OH 3.4Å; K193-Y202 WeakPolarHBondContact CB-OH 3.33Å; K193-Y202 HydrophobicContact CG-CE2 4.47Å; K193-Y202 WeakPolarHBondContact CG-OH 3.29Å
194	A	98.7	Very high	97.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-62.4	-39.4	177.2	0	0	0	0	0	111.2	F151 V162 V164 L190 L191 K197 V198	F151-A194 HydrophobicContact CB-CB 4.19Å; F151-A194 HydrophobicContact CD2-CB 3.51Å; F151-A194 HydrophobicContact CE2-CB 4.26Å; F151-A194 HydrophobicContact CG-CB 4.13Å; V162-A194 HydrophobicContact CB-CB 4.36Å; V162-A194 HydrophobicContact CG1-CB 3.98Å; V164-A194 HydrophobicContact CG1-CB 3.86Å; V164-A194 HydrophobicContact CG2-CB 4.42Å; L190-A194 PolarHBondContact O-N 3.49Å; L191-A194 PolarHBondContact O-N 3.39Å; L191-A194 VanDerWaalsContact O-N 3.15Å; A194-K197 WeakPolarHBondContact O-CB 3.23Å; A194-K197 PolarHBondContact O-N 3.22Å; A194-V198 PolarHBondContact O-N 3.04Å; A194-V198 VanDerWaalsContact O-N 3.11Å
195	Y	98.2	Very high	97.3	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-66.7	-41.2	175.8	-160.7	-91.4	0	0	0	112.2	W116 L117 L153 L191 E192 K193 K197 V198 N199 L205 D216 F217	W116-Y195 AromaticContact CH2-CE1 3.7Å; W116-Y195 HydrophobicContact CH2-CE1 3.7Å; W116-Y195 AromaticContact CH2-CZ 3.99Å; W116-Y195 HydrophobicContact CZ2-CE1 4.37Å; L117-Y195 HydrophobicContact CD1-CD1 3.8Å; L117-Y195 HydrophobicContact CD1-CD2 4.17Å; L117-Y195 HydrophobicContact CD1-CE1 3.75Å; L117-Y195 HydrophobicContact CD1-CE2 4.13Å; L117-Y195 HydrophobicContact CD1-CG 4.03Å; L117-Y195 HydrophobicContact CD2-CD1 3.52Å; L117-Y195 HydrophobicContact CD2-CE1 4.09Å; L117-Y195 HydrophobicContact CD2-CG 4.02Å; L117-Y195 HydrophobicContact CG-CD1 4.32Å; L153-Y195 HydrophobicContact CD1-CD2 3.74Å; L153-Y195 HydrophobicContact CD1-CG 4.44Å; L153-Y195 HydrophobicContact CD2-CD2 4.09Å; L191-Y195 WeakPolarHBondContact O-CB 3.47Å; L191-Y195 PolarHBondContact O-N 2.92Å; E192-Y195 PolarHBondContact O-N 3.11Å; K193-Y195 VanDerWaalsContact C-N 3.28Å; K193-Y195 PolarHBondContact O-N 2.7Å; Y195-K197 VanDerWaalsContact C-N 3.34Å; Y195-K197 PolarHBondContact O-N 2.9Å; Y195-V198 PolarHBondContact O-N 3.34Å; Y195-N199 WeakPolarHBondContact CD1-ND2 3.43Å; Y195-N199 WeakPolarHBondContact CE1-ND2 3.24Å; Y195-N199 PolarHBondContact O-N 3.31Å; Y195-N199 VanDerWaalsContact O-N 3.17Å; Y195-N199 PolarHBondContact O-ND2 3.38Å; Y195-L205 HydrophobicContact CD1-CD1 4.07Å; Y195-L205 HydrophobicContact CD1-CD2 3.41Å; Y195-L205 VanDerWaalsContact CD1-CD2 3.41Å; Y195-L205 HydrophobicContact CD1-CG 4.36Å; Y195-L205 HydrophobicContact CE1-CD2 3.69Å; Y195-D216 HydrophobicContact CE2-CB 3.79Å; Y195-D216 WeakPolarHBondContact CE2-OD2 3.33Å; Y195-D216 PolarHBondContact OH-OD2 2.75Å; Y195-F217 HydrophobicContact CD2-CE1 4.11Å; Y195-F217 HydrophobicContact CD2-CZ 4.48Å; Y195-F217 HydrophobicContact CE2-CE1 4.4Å
196	A	97.9	Very high	97.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-59.8	-43.4	172.4	0	0	0	0	0	111.5	F61 E192 K193 N199 G200 S201 Y202 L205	F61-A196 HydrophobicContact CZ-CB 4.2Å; E192-A196 WeakPolarHBondContact O-CB 3.43Å; E192-A196 PolarHBondContact O-N 3.02Å; K193-A196 WeakPolarHBondContact O-CB 3.44Å; K193-A196 PolarHBondContact O-N 3.46Å; A196-N199 CarbonylContact O-C 3.49Å; A196-N199 PolarHBondContact O-N 3Å; A196-G200 CarbonylContact O-C 3.57Å; A196-G200 PolarHBondContact O-N 3.4Å; A196-S201 PolarHBondContact O-N 2.7Å; A196-Y202 HydrophobicContact CB-CD1 3.81Å; A196-Y202 HydrophobicContact CB-CD2 4.08Å; A196-Y202 HydrophobicContact CB-CE1 4.06Å; A196-Y202 HydrophobicContact CB-CE2 4.33Å; A196-Y202 HydrophobicContact CB-CG 3.84Å; A196-L205 HydrophobicContact CB-CD1 3.8Å; A196-L205 HydrophobicContact CB-CG 4.32Å
197	K	98	Very high	96.7	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.017	6%	0.064	C	C	.	.	H	α-helix	trans	-58.9	-48.7	177.2	173.6	174.6	179.8	178	0	112.2	Y37 D58 F61 V162 V163 V164 K193 A194 Y195 N199 G200	Y37-K197 HydrophobicContact CE1-CG 4.05Å; D58-K197 VanDerWaalsContact CG-NZ 3.32Å; D58-K197 IonicContact OD1-NZ 2.63Å; D58-K197 PolarHBondContact OD1-NZ 3.24Å; D58-K197 WeakPolarHBondContact OD2-CE 3.23Å; D58-K197 IonicContact OD2-NZ 2.63Å; D58-K197 PolarHBondContact OD2-NZ 3.41Å; F61-K197 HydrophobicContact CB-CB 4.23Å; F61-K197 HydrophobicContact CB-CD 3.69Å; F61-K197 HydrophobicContact CB-CG 3.8Å; F61-K197 HydrophobicContact CD1-CB 4.09Å; F61-K197 HydrophobicContact CD2-CB 3.87Å; F61-K197 HydrophobicContact CD2-CG 3.98Å; F61-K197 HydrophobicContact CE1-CB 4.39Å; F61-K197 HydrophobicContact CE2-CB 4.2Å; F61-K197 HydrophobicContact CG-CB 3.8Å; F61-K197 HydrophobicContact CG-CD 4.2Å; F61-K197 HydrophobicContact CG-CG 3.88Å; F61-K197 HydrophobicContact CZ-CB 4.44Å; V162-K197 HydrophobicContact CG1-CD 4.1Å; V162-K197 HydrophobicContact CG1-CG 4.49Å; V163-K197 PolarHBondContact O-NZ 3.39Å; V164-K197 HydrophobicContact CG1-CD 3.96Å; K193-K197 WeakPolarHBondContact O-CB 3.3Å; K193-K197 PolarHBondContact O-N 3.23Å; A194-K197 WeakPolarHBondContact O-CB 3.23Å; A194-K197 PolarHBondContact O-N 3.22Å; Y195-K197 VanDerWaalsContact C-N 3.34Å; Y195-K197 PolarHBondContact O-N 2.9Å; K197-N199 PolarHBondContact O-N 2.96Å; K197-G200 PolarHBondContact O-N 3.14Å
198	V	96.7	Very high	96.3	Very high	8 Å²	8	10 Å²	10	5%	0.048	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-35.7	178.8	174.2	0	0	0	0	111.8	Y37 L153 Q155 V162 A194 Y195 G200 R430	Y37-V198 HydrophobicContact CD1-CG2 4.5Å; Y37-V198 HydrophobicContact CD2-CG2 4.48Å; Y37-V198 HydrophobicContact CE1-CG2 4.38Å; Y37-V198 HydrophobicContact CE2-CG1 4.49Å; Y37-V198 HydrophobicContact CE2-CG2 4.34Å; L153-V198 HydrophobicContact CD1-CG2 4.06Å; Q155-V198 HydrophobicContact CG-CG1 4.13Å; Q155-V198 VanDerWaalsContact OE1-CG1 3.28Å; V162-V198 HydrophobicContact CB-CG2 4.28Å; V162-V198 HydrophobicContact CG1-CG2 3.9Å; V162-V198 HydrophobicContact CG2-CG2 3.37Å; A194-V198 PolarHBondContact O-N 3.04Å; A194-V198 VanDerWaalsContact O-N 3.11Å; Y195-V198 PolarHBondContact O-N 3.34Å; V198-G200 VanDerWaalsContact C-N 3.32Å; V198-R430 WeakPolarHBondContact O-CD 3.4Å
199	N	95.8	Very high	96.1	Very high	10 Å²	10	11.2 Å²	11.2	5%	0.053	9%	0.093	C	C	.	.	H	α-helix	trans	-85.4	-0.8	177.2	-72	-75.1	0	0	0	114.1	Y195 A196 K197 S204 L205 R429	Y195-N199 WeakPolarHBondContact CD1-ND2 3.43Å; Y195-N199 WeakPolarHBondContact CE1-ND2 3.24Å; Y195-N199 PolarHBondContact O-N 3.31Å; Y195-N199 VanDerWaalsContact O-N 3.17Å; Y195-N199 PolarHBondContact O-ND2 3.38Å; A196-N199 CarbonylContact O-C 3.49Å; A196-N199 PolarHBondContact O-N 3Å; K197-N199 PolarHBondContact O-N 2.96Å; N199-S204 VanDerWaalsContact O-CB 3.26Å; N199-S204 WeakPolarHBondContact O-CB 3.36Å; N199-S204 PolarHBondContact O-OG 3.07Å; N199-L205 HydrophobicContact CB-CD2 3.75Å; N199-R429 HydrophobicContact CB-CB 4.46Å; N199-R429 WeakPolarHBondContact OD1-CB 3.45Å; N199-R429 WeakPolarHBondContact OD1-CD 3.33Å
200	G	94.6	Very high	95.9	Very high	35 Å²	35	11.3 Å²	11.3	36%	0.361	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-20.3	172.5	0	0	0	0	0	116.3	A196 K197 V198	A196-G200 CarbonylContact O-C 3.57Å; A196-G200 PolarHBondContact O-N 3.4Å; K197-G200 PolarHBondContact O-N 3.14Å; V198-G200 VanDerWaalsContact C-N 3.32Å
201	S	96.7	Very high	95.6	Very high	4 Å²	4	11.9 Å²	11.9	3%	0.028	10%	0.097	C	C	.	.	S	Bend	trans	-167.1	164	174.2	67.8	0	0	0	0	110.9	S67 A196 E203 S204	S67-S201 VanDerWaalsContact O-CA 3.28Å; S67-S201 WeakPolarHBondContact O-CA 3.23Å; S67-S201 WeakPolarHBondContact O-CB 3.17Å; A196-S201 PolarHBondContact O-N 2.7Å; S201-E203 VanDerWaalsContact C-N 3.33Å; S201-S204 WeakPolarHBondContact O-CB 2.91Å; S201-S204 PolarHBondContact O-N 3.43Å; S201-S204 PolarHBondContact OG-N 2.94Å; S201-S204 PolarHBondContact OG-OG 2.91Å
202	Y	97.6	Very high	95.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-61.2	-40.8	170.8	-80.2	-85.6	0	0	0	112	F61 S67 L68 W85 L112 P169 F177 E192 K193 A196 S204 L205	F61-Y202 HydrophobicContact CE1-CD2 4.48Å; F61-Y202 HydrophobicContact CE1-CE2 4.13Å; F61-Y202 HydrophobicContact CZ-CD2 4.33Å; F61-Y202 HydrophobicContact CZ-CE2 4.42Å; S67-Y202 PolarHBondContact O-N 2.78Å; L68-Y202 HydrophobicContact CD2-CD2 4.18Å; L68-Y202 WeakPolarHBondContact O-CB 3.5Å; L68-Y202 PolarHBondContact O-N 3.21Å; W85-Y202 AromaticContact CH2-CE2 3.95Å; W85-Y202 HydrophobicContact CH2-CE2 3.95Å; W85-Y202 HydrophobicContact CZ3-CE2 4.47Å; L112-Y202 HydrophobicContact CD2-CD1 4.1Å; P169-Y202 HydrophobicContact CG-CE2 4Å; F177-Y202 HydrophobicContact CB-CE1 4.45Å; F177-Y202 AromaticContact CD2-CD1 3.37Å; F177-Y202 HydrophobicContact CD2-CD1 3.37Å; F177-Y202 HydrophobicContact CD2-CD2 4.27Å; F177-Y202 AromaticContact CD2-CE1 3.3Å; F177-Y202 HydrophobicContact CD2-CE1 3.3Å; F177-Y202 HydrophobicContact CD2-CE2 4.21Å; F177-Y202 AromaticContact CD2-CG 3.86Å; F177-Y202 HydrophobicContact CD2-CG 3.86Å; F177-Y202 AromaticContact CD2-CZ 3.73Å; F177-Y202 AromaticContact CE2-CD1 3.39Å; F177-Y202 HydrophobicContact CE2-CD1 3.39Å; F177-Y202 AromaticContact CE2-CD2 3.66Å; F177-Y202 HydrophobicContact CE2-CD2 3.66Å; F177-Y202 AromaticContact CE2-CE1 3.71Å; F177-Y202 HydrophobicContact CE2-CE1 3.71Å; F177-Y202 AromaticContact CE2-CE2 3.95Å; F177-Y202 HydrophobicContact CE2-CE2 3.95Å; F177-Y202 AromaticContact CE2-CG 3.34Å; F177-Y202 HydrophobicContact CE2-CG 3.34Å; F177-Y202 AromaticContact CE2-CZ 3.95Å; F177-Y202 HydrophobicContact CG-CD1 4.05Å; F177-Y202 HydrophobicContact CG-CE1 4.11Å; F177-Y202 HydrophobicContact CZ-CD1 4.1Å; F177-Y202 HydrophobicContact CZ-CD2 4.47Å; F177-Y202 AromaticContact CZ-CG 3.91Å; F177-Y202 HydrophobicContact CZ-CG 3.91Å; E192-Y202 HydrophobicContact CG-CE1 4.22Å; E192-Y202 WeakPolarHBondContact OE2-CE1 3.32Å; K193-Y202 WeakPolarHBondContact CA-OH 3.4Å; K193-Y202 WeakPolarHBondContact CB-OH 3.33Å; K193-Y202 HydrophobicContact CG-CE2 4.47Å; K193-Y202 WeakPolarHBondContact CG-OH 3.29Å; A196-Y202 HydrophobicContact CB-CD1 3.81Å; A196-Y202 HydrophobicContact CB-CD2 4.08Å; A196-Y202 HydrophobicContact CB-CE1 4.06Å; A196-Y202 HydrophobicContact CB-CE2 4.33Å; A196-Y202 HydrophobicContact CB-CG 3.84Å; Y202-S204 PolarHBondContact O-N 3.02Å; Y202-L205 VanDerWaalsContact O-CB 3.27Å; Y202-L205 WeakPolarHBondContact O-CB 3.43Å; Y202-L205 WeakPolarHBondContact O-CG 3.04Å; Y202-L205 PolarHBondContact O-N 3.08Å
203	E	96.5	Very high	95.3	Very high	16 Å²	16	12.4 Å²	12.4	8%	0.075	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-60.4	-29.6	178.4	-165.4	175.5	165.2	0	0	113	L68 G69 F70 K71 D72 L73 S201 L205 S206	L68-E203 WeakPolarHBondContact O-CB 3.44Å; L68-E203 PolarHBondContact O-N 2.89Å; G69-E203 VanDerWaalsContact CA-OE2 3.25Å; G69-E203 WeakPolarHBondContact CA-OE2 3.46Å; F70-E203 HydrophobicContact CE1-CB 4.18Å; F70-E203 HydrophobicContact CE1-CG 4.35Å; F70-E203 HydrophobicContact CZ-CG 4.29Å; F70-E203 PolarHBondContact N-OE2 3.29Å; K71-E203 WeakPolarHBondContact CB-OE1 3.47Å; K71-E203 PolarHBondContact N-OE1 3.39Å; K71-E203 PolarHBondContact N-OE2 3.5Å; D72-E203 VanDerWaalsContact N-CD 3.33Å; D72-E203 PolarHBondContact N-OE1 3.14Å; D72-E203 PolarHBondContact N-OE2 3.17Å; L73-E203 HydrophobicContact CB-CB 4.15Å; L73-E203 HydrophobicContact CB-CG 4.39Å; L73-E203 HydrophobicContact CD1-CB 4.29Å; L73-E203 HydrophobicContact CG-CB 4.48Å; L73-E203 PolarHBondContact N-OE2 2.87Å; S201-E203 VanDerWaalsContact C-N 3.33Å; E203-L205 PolarHBondContact O-N 3.13Å; E203-L205 VanDerWaalsContact O-N 3.11Å; E203-S206 WeakPolarHBondContact O-CB 3.37Å; E203-S206 PolarHBondContact O-N 2.94Å; E203-S206 VanDerWaalsContact O-N 3.07Å
204	S	95	Very high	95.2	Very high	4 Å²	4	12.4 Å²	12.4	3%	0.028	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-61.3	-18.6	174.9	-57.1	0	0	0	0	113.3	N199 S201 Y202 R429	N199-S204 VanDerWaalsContact O-CB 3.26Å; N199-S204 WeakPolarHBondContact O-CB 3.36Å; N199-S204 PolarHBondContact O-OG 3.07Å; S201-S204 WeakPolarHBondContact O-CB 2.91Å; S201-S204 PolarHBondContact O-N 3.43Å; S201-S204 PolarHBondContact OG-N 2.94Å; S201-S204 PolarHBondContact OG-OG 2.91Å; Y202-S204 PolarHBondContact O-N 3.02Å; S204-R429 PolarHBondContact O-NH1 3.41Å
205	L	95.2	Very high	95	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-86	-15.4	178.8	-50.2	-171.5	0	0	0	112.8	L112 D114 W116 L117 E192 Y195 A196 N199 Y202 E203 G207	L112-L205 HydrophobicContact CD2-CB 4.23Å; L112-L205 HydrophobicContact CD2-CD1 4.48Å; D114-L205 HydrophobicContact CB-CB 4Å; W116-L205 PolarHBondContact NE1-O 3.12Å; L117-L205 HydrophobicContact CD2-CD1 3.88Å; E192-L205 HydrophobicContact CG-CD1 4.3Å; Y195-L205 HydrophobicContact CD1-CD1 4.07Å; Y195-L205 HydrophobicContact CD1-CD2 3.41Å; Y195-L205 VanDerWaalsContact CD1-CD2 3.41Å; Y195-L205 HydrophobicContact CD1-CG 4.36Å; Y195-L205 HydrophobicContact CE1-CD2 3.69Å; A196-L205 HydrophobicContact CB-CD1 3.8Å; A196-L205 HydrophobicContact CB-CG 4.32Å; N199-L205 HydrophobicContact CB-CD2 3.75Å; Y202-L205 VanDerWaalsContact O-CB 3.27Å; Y202-L205 WeakPolarHBondContact O-CB 3.43Å; Y202-L205 WeakPolarHBondContact O-CG 3.04Å; Y202-L205 PolarHBondContact O-N 3.08Å; E203-L205 PolarHBondContact O-N 3.13Å; E203-L205 VanDerWaalsContact O-N 3.11Å; L205-G207 PolarHBondContact O-N 2.87Å
206	S	93.1	Very high	95	Very high	49 Å²	49	12.5 Å²	12.5	34%	0.343	10%	0.1	S	C	.	.	S	Bend	trans	-65.5	125.4	-179.9	-174.5	0	0	0	0	111.1	G113 E203 R432	G113-S206 WeakPolarHBondContact O-CA 3.42Å; E203-S206 WeakPolarHBondContact O-CB 3.37Å; E203-S206 PolarHBondContact O-N 2.94Å; E203-S206 VanDerWaalsContact O-N 3.07Å; S206-R432 PolarHBondContact O-NH1 2.78Å
207	G	89.3	Confident	94.9	Very high	37 Å²	37	12.5 Å²	12.5	38%	0.381	10%	0.1	S	C	.	.	S	Bend	trans	72.3	121.5	-178.8	0	0	0	0	0	113.7	G113 L205 R429	G113-G207 PolarHBondContact O-N 3.02Å; L205-G207 PolarHBondContact O-N 2.87Å; G207-R429 PolarHBondContact O-NH1 3.14Å; G207-R429 PolarHBondContact O-NH2 3.21Å
208	G	90.2	Very high	94.7	Very high	41 Å²	41	12.3 Å²	12.3	42%	0.423	10%	0.099	S	C	.	.			trans	-177.3	178.6	-178.8	0	0	0	0	0	112.5	W116 E212	W116-G208 WeakPolarHBondContact CB-O 3.45Å; W116-G208 VanDerWaalsContact CD1-N 3.28Å; W116-G208 VanDerWaalsContact CG-C 3.49Å; G208-E212 WeakPolarHBondContact CA-OE1 3.28Å
209	S	91.3	Very high	94.5	Very high	25 Å²	25	12.2 Å²	12.2	18%	0.175	10%	0.1	C	C	.	.			trans	-106.6	143	171.3	165.7	0	0	0	0	110.3	S211 E212 E349	S209-S211 PolarHBondContact O-N 3Å; S209-S211 VanDerWaalsContact O-N 3.15Å; S209-S211 WeakPolarHBondContact OG-CB 3.19Å; S209-S211 PolarHBondContact OG-N 3.2Å; S209-E212 PolarHBondContact N-OE1 3.31Å; S209-E212 VanDerWaalsContact N-OE1 3.1Å; S209-E212 VanDerWaalsContact O-CB 3.31Å; S209-E212 WeakPolarHBondContact O-CB 3.44Å; S209-E212 PolarHBondContact O-N 2.68Å; S209-E349 PolarHBondContact OG-OE1 3.19Å; S209-E349 PolarHBondContact OG-OE2 2.97Å
210	T	94.2	Very high	94.3	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.018	10%	0.097	C	C	.	.	H	α-helix	trans	-56.7	-32.4	179.8	-45.1	0	0	0	0	111.6	W116 A119 A120 E212 G213 F214 A273 E349	W116-T210 WeakPolarHBondContact O-CG2 3.28Å; A119-T210 HydrophobicContact CB-CG2 4Å; A120-T210 HydrophobicContact CB-CG2 3.99Å; T210-E212 PolarHBondContact O-N 2.99Å; T210-G213 PolarHBondContact O-N 3.26Å; T210-F214 HydrophobicContact CG2-CD1 4.37Å; T210-F214 HydrophobicContact CG2-CD2 4.26Å; T210-F214 HydrophobicContact CG2-CE1 3.75Å; T210-F214 HydrophobicContact CG2-CE2 3.62Å; T210-F214 HydrophobicContact CG2-CZ 3.32Å; T210-F214 WeakPolarHBondContact O-CG 3.42Å; T210-F214 PolarHBondContact O-N 3.12Å; T210-A273 VanDerWaalsContact OG1-CB 3.27Å; T210-A273 WeakPolarHBondContact OG1-CB 3.5Å; T210-E349 WeakPolarHBondContact CB-OE2 3.39Å; T210-E349 PolarHBondContact N-OE2 2.71Å
211	S	93.2	Very high	94.1	Very high	12 Å²	12	10.1 Å²	10.1	8%	0.084	8%	0.08	C	C	.	.	H	α-helix	trans	-52.4	-37.7	173.3	-67.8	0	0	0	0	113.2	S209 G213 F214 E215 E349	S209-S211 PolarHBondContact O-N 3Å; S209-S211 VanDerWaalsContact O-N 3.15Å; S209-S211 WeakPolarHBondContact OG-CB 3.19Å; S209-S211 PolarHBondContact OG-N 3.2Å; S211-G213 VanDerWaalsContact C-N 3.33Å; S211-G213 PolarHBondContact O-N 3.44Å; S211-F214 PolarHBondContact O-N 3.15Å; S211-E215 WeakPolarHBondContact O-CB 3.42Å; S211-E215 VanDerWaalsContact O-CG 3.27Å; S211-E215 WeakPolarHBondContact O-CG 3.41Å; S211-E215 PolarHBondContact O-N 3.44Å; S211-E349 WeakPolarHBondContact CB-OE2 3.43Å; S211-E349 PolarHBondContact N-OE2 3.25Å; S211-E349 VanDerWaalsContact OG-CD 3.28Å; S211-E349 PolarHBondContact OG-OE2 2.89Å
212	E	95.1	Very high	93.8	Very high	12 Å²	12	10.2 Å²	10.2	6%	0.056	8%	0.081	C	C	.	.	H	α-helix	trans	-62.9	-42.1	177.2	-61.6	-178.6	-123.8	0	0	111.7	W116 G208 S209 T210 D216 R429 R481	W116-E212 HydrophobicContact CE3-CB 4.14Å; W116-E212 HydrophobicContact CH2-CB 4.21Å; W116-E212 HydrophobicContact CZ3-CB 3.57Å; G208-E212 WeakPolarHBondContact CA-OE1 3.28Å; S209-E212 PolarHBondContact N-OE1 3.31Å; S209-E212 VanDerWaalsContact N-OE1 3.1Å; S209-E212 VanDerWaalsContact O-CB 3.31Å; S209-E212 WeakPolarHBondContact O-CB 3.44Å; S209-E212 PolarHBondContact O-N 2.68Å; T210-E212 PolarHBondContact O-N 2.99Å; E212-D216 WeakPolarHBondContact O-CB 3.33Å; E212-D216 VanDerWaalsContact O-CG 3.23Å; E212-D216 PolarHBondContact O-N 3.27Å; E212-D216 VanDerWaalsContact O-N 3.09Å; E212-R429 IonicContact OE1-CZ 3.43Å; E212-R429 IonicContact OE1-NH2 3.25Å; E212-R429 PolarHBondContact OE1-NH2 2.81Å; E212-R429 IonicContact OE2-CZ 2.97Å; E212-R429 VanDerWaalsContact OE2-CZ 3.26Å; E212-R429 IonicContact OE2-NE 3.32Å; E212-R429 PolarHBondContact OE2-NE 3.45Å; E212-R429 IonicContact OE2-NH2 2.74Å; E212-R429 PolarHBondContact OE2-NH2 3.46Å; E212-R481 HydrophobicContact CG-CB 3.91Å; E212-R481 PolarHBondContact O-NH2 2.84Å; E212-R481 WeakPolarHBondContact OE2-CD 3.43Å; E212-R481 IonicContact OE2-NE 3.22Å
213	G	95.9	Very high	93.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-68.8	-44.2	177.6	0	0	0	0	0	110.9	T210 S211 E215 D216 F217	T210-G213 PolarHBondContact O-N 3.26Å; S211-G213 VanDerWaalsContact C-N 3.33Å; S211-G213 PolarHBondContact O-N 3.44Å; G213-E215 VanDerWaalsContact C-N 3.34Å; G213-E215 PolarHBondContact O-N 2.79Å; G213-D216 PolarHBondContact O-N 2.78Å; G213-F217 WeakPolarHBondContact O-CB 3.37Å; G213-F217 WeakPolarHBondContact O-CD2 3.48Å; G213-F217 WeakPolarHBondContact O-CG 3.38Å; G213-F217 PolarHBondContact O-N 2.81Å
214	F	95.8	Very high	92.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.9	-45.8	177	-64.3	-31.9	0	0	0	112.5	A120 T210 S211 F217 T218 T222 L247 E349 C351	A120-F214 HydrophobicContact CB-CD1 3.7Å; A120-F214 HydrophobicContact CB-CE1 3.9Å; T210-F214 HydrophobicContact CG2-CD1 4.37Å; T210-F214 HydrophobicContact CG2-CD2 4.26Å; T210-F214 HydrophobicContact CG2-CE1 3.75Å; T210-F214 HydrophobicContact CG2-CE2 3.62Å; T210-F214 HydrophobicContact CG2-CZ 3.32Å; T210-F214 WeakPolarHBondContact O-CG 3.42Å; T210-F214 PolarHBondContact O-N 3.12Å; S211-F214 PolarHBondContact O-N 3.15Å; F214-F217 PolarHBondContact O-N 3.32Å; F214-T218 WeakPolarHBondContact O-CB 3.13Å; F214-T218 WeakPolarHBondContact O-CG2 3.33Å; F214-T218 PolarHBondContact O-N 3.11Å; F214-T218 VanDerWaalsContact O-N 3.08Å; F214-T218 PolarHBondContact O-OG1 2.96Å; F214-T222 HydrophobicContact CB-CG2 4.24Å; F214-T222 HydrophobicContact CD2-CG2 4.49Å; F214-L247 HydrophobicContact CB-CD1 4.37Å; F214-L247 HydrophobicContact CD1-CB 3.43Å; F214-L247 VanDerWaalsContact CD1-CB 3.43Å; F214-L247 HydrophobicContact CD1-CD1 3.61Å; F214-L247 HydrophobicContact CD1-CG 4.18Å; F214-L247 HydrophobicContact CD2-CB 4.37Å; F214-L247 HydrophobicContact CE1-CB 3.52Å; F214-L247 HydrophobicContact CE1-CD1 4.26Å; F214-L247 HydrophobicContact CE2-CB 4.45Å; F214-L247 HydrophobicContact CG-CB 3.89Å; F214-L247 HydrophobicContact CG-CD1 4.3Å; F214-L247 HydrophobicContact CZ-CB 4.06Å; F214-E349 HydrophobicContact CE2-CB 4.47Å; F214-C351 HydrophobicContact CB-CB 3.46Å; F214-C351 VanDerWaalsContact CB-CB 3.46Å; F214-C351 HydrophobicContact CD2-CB 3.82Å; F214-C351 HydrophobicContact CG-CB 3.84Å
215	E	95.7	Very high	92.7	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	11%	0.106	C	C	.	.	H	α-helix	trans	-61.3	-45.7	176.6	-75.1	159.9	-178.1	0	0	111.5	S211 G213 F217 T218 G219 T222 M424 R481 R512	S211-E215 WeakPolarHBondContact O-CB 3.42Å; S211-E215 VanDerWaalsContact O-CG 3.27Å; S211-E215 WeakPolarHBondContact O-CG 3.41Å; S211-E215 PolarHBondContact O-N 3.44Å; G213-E215 VanDerWaalsContact C-N 3.34Å; G213-E215 PolarHBondContact O-N 2.79Å; E215-F217 PolarHBondContact O-N 3.16Å; E215-T218 PolarHBondContact O-N 2.85Å; E215-G219 WeakPolarHBondContact O-CA 3.43Å; E215-G219 PolarHBondContact O-N 2.99Å; E215-T222 HydrophobicContact CG-CG2 3.79Å; E215-T222 PolarHBondContact OE1-OG1 3.06Å; E215-M424 HydrophobicContact CB-CE 4.28Å; E215-M424 HydrophobicContact CG-CE 4.19Å; E215-M424 WeakPolarHBondContact OE2-CE 3.28Å; E215-R481 VanDerWaalsContact CB-NH2 3.32Å; E215-R481 IonicContact OE2-CZ 3.04Å; E215-R481 IonicContact OE2-NE 3.06Å; E215-R481 IonicContact OE2-NH2 2.84Å; E215-R481 PolarHBondContact OE2-NH2 3.36Å; E215-R512 IonicContact OE1-NH2 2.8Å
216	D	96.8	Very high	92.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-72	-20.4	-177.3	-69.2	3.7	0	0	0	113.2	W154 Q155 Y195 E212 G213 R481	W154-D216 WeakPolarHBondContact CB-O 3.39Å; W154-D216 PolarHBondContact N-O 3.06Å; W154-D216 VanDerWaalsContact O-CA 3.29Å; W154-D216 WeakPolarHBondContact O-CA 3.42Å; W154-D216 WeakPolarHBondContact O-CB 3.25Å; Q155-D216 VanDerWaalsContact NE2-CG 3.33Å; Q155-D216 PolarHBondContact NE2-OD2 3.12Å; Q155-D216 VanDerWaalsContact NE2-OD2 3.12Å; Y195-D216 HydrophobicContact CE2-CB 3.79Å; Y195-D216 WeakPolarHBondContact CE2-OD2 3.33Å; Y195-D216 PolarHBondContact OH-OD2 2.75Å; E212-D216 WeakPolarHBondContact O-CB 3.33Å; E212-D216 VanDerWaalsContact O-CG 3.23Å; E212-D216 PolarHBondContact O-N 3.27Å; E212-D216 VanDerWaalsContact O-N 3.09Å; G213-D216 PolarHBondContact O-N 2.78Å; D216-R481 IonicContact OD1-CZ 3.36Å; D216-R481 VanDerWaalsContact OD1-CZ 3.25Å; D216-R481 IonicContact OD1-NH1 3.8Å; D216-R481 PolarHBondContact OD1-NH1 2.75Å; D216-R481 IonicContact OD1-NH2 3.67Å; D216-R481 PolarHBondContact OD1-NH2 2.83Å; D216-R481 IonicContact OD2-CZ 2.99Å; D216-R481 IonicContact OD2-NH1 3.99Å; D216-R481 PolarHBondContact OD2-NH1 2.94Å
217	F	95.8	Very high	92.6	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-93.3	-14.1	175.8	-61.8	-32.2	0	0	0	113.8	L117 A120 I121 L124 V134 L153 L191 Y195 G213 F214 E215	L117-F217 HydrophobicContact CD1-CE1 4.49Å; L117-F217 HydrophobicContact CD1-CE2 3.97Å; L117-F217 HydrophobicContact CD1-CZ 3.51Å; L117-F217 HydrophobicContact CG-CZ 4.49Å; A120-F217 HydrophobicContact CB-CD2 4.08Å; A120-F217 HydrophobicContact CB-CE2 3.83Å; I121-F217 HydrophobicContact CB-CE2 4.4Å; I121-F217 HydrophobicContact CD1-CZ 4.2Å; I121-F217 HydrophobicContact CG1-CE2 3.46Å; I121-F217 VanDerWaalsContact CG1-CE2 3.46Å; I121-F217 HydrophobicContact CG1-CZ 3.51Å; L124-F217 HydrophobicContact CD1-CB 4.21Å; L124-F217 HydrophobicContact CD2-CB 4.04Å; L124-F217 HydrophobicContact CD2-CD2 4.28Å; L124-F217 HydrophobicContact CD2-CG 4.08Å; V134-F217 HydrophobicContact CG1-CD1 3.95Å; V134-F217 HydrophobicContact CG1-CE1 4.4Å; V134-F217 HydrophobicContact CG2-CB 3.92Å; V134-F217 HydrophobicContact CG2-CD1 4.22Å; V134-F217 HydrophobicContact CG2-CG 4.42Å; V134-F217 WeakPolarHBondContact CG2-O 3.29Å; L153-F217 HydrophobicContact CD2-CD1 3.93Å; L153-F217 HydrophobicContact CD2-CE1 3.79Å; L191-F217 HydrophobicContact CD1-CE1 4.36Å; Y195-F217 HydrophobicContact CD2-CE1 4.11Å; Y195-F217 HydrophobicContact CD2-CZ 4.48Å; Y195-F217 HydrophobicContact CE2-CE1 4.4Å; G213-F217 WeakPolarHBondContact O-CB 3.37Å; G213-F217 WeakPolarHBondContact O-CD2 3.48Å; G213-F217 WeakPolarHBondContact O-CG 3.38Å; G213-F217 PolarHBondContact O-N 2.81Å; F214-F217 PolarHBondContact O-N 3.32Å; E215-F217 PolarHBondContact O-N 3.16Å
218	T	93.5	Very high	92.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-130	-24.4	-171.5	66.7	0	0	0	0	114.8	L130 F214 E215 G220 L247 C351 L353	L130-T218 HydrophobicContact CD1-CG2 4.1Å; F214-T218 WeakPolarHBondContact O-CB 3.13Å; F214-T218 WeakPolarHBondContact O-CG2 3.33Å; F214-T218 PolarHBondContact O-N 3.11Å; F214-T218 VanDerWaalsContact O-N 3.08Å; F214-T218 PolarHBondContact O-OG1 2.96Å; E215-T218 PolarHBondContact O-N 2.85Å; T218-G220 PolarHBondContact O-N 3.14Å; T218-G220 PolarHBondContact OG1-N 3.05Å; T218-L247 HydrophobicContact CG2-CD1 3.5Å; T218-L247 VanDerWaalsContact CG2-CD1 3.5Å; T218-L247 HydrophobicContact CG2-CG 4.19Å; T218-C351 PolarHBondContact OG1-SG 2.71Å; T218-L353 HydrophobicContact CG2-CD2 3.85Å
219	G	92.6	Very high	92.8	Very high	5 Å²	5	30.8 Å²	30.8	5%	0.052	13%	0.133	C	C	.	.	S	Bend	trans	69.1	5.5	-163.4	0	0	0	0	0	114.2	W154 E215 T354 R512	W154-G219 VanDerWaalsContact CD1-CA 3.45Å; W154-G219 VanDerWaalsContact CG-CA 3.46Å; E215-G219 WeakPolarHBondContact O-CA 3.43Å; E215-G219 PolarHBondContact O-N 2.99Å; G219-T354 WeakPolarHBondContact O-CG2 3.31Å; G219-R512 PolarHBondContact O-NH1 3.07Å
220	G	91.5	Very high	92.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	13%	0.134	C	C	.	.			trans	-70.3	-179.9	-179	0	0	0	0	0	114.2	T218 N352 R512	T218-G220 PolarHBondContact O-N 3.14Å; T218-G220 PolarHBondContact OG1-N 3.05Å; G220-N352 CarbonylContact C-O 3.56Å; G220-N352 WeakPolarHBondContact CA-O 3.49Å; G220-R512 PolarHBondContact O-NH1 3.03Å; G220-R512 PolarHBondContact O-NH2 2.79Å
221	V	90.3	Very high	92.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135	176.6	61.6	0	0	0	0	110.1	C351 N352 V420 A422 F514	V221-C351 CarbonylContact O-C 3.57Å; V221-C351 WeakPolarHBondContact O-CA 3.27Å; V221-N352 HydrophobicContact CG1-CB 4.1Å; V221-N352 PolarHBondContact N-O 2.86Å; V221-N352 PolarHBondContact O-N 2.94Å; V221-V420 HydrophobicContact CG2-CG1 3.84Å; V221-A422 HydrophobicContact CG2-CB 3.85Å; V221-F514 HydrophobicContact CB-CD1 4.28Å; V221-F514 HydrophobicContact CB-CD2 3.81Å; V221-F514 HydrophobicContact CB-CE1 3.96Å; V221-F514 HydrophobicContact CB-CE2 3.47Å; V221-F514 VanDerWaalsContact CB-CE2 3.47Å; V221-F514 HydrophobicContact CB-CG 4.23Å; V221-F514 HydrophobicContact CB-CZ 3.57Å; V221-F514 HydrophobicContact CG1-CD1 3.83Å; V221-F514 HydrophobicContact CG1-CD2 3.91Å; V221-F514 HydrophobicContact CG1-CE1 3.92Å; V221-F514 HydrophobicContact CG1-CE2 4.02Å; V221-F514 HydrophobicContact CG1-CG 3.83Å; V221-F514 HydrophobicContact CG1-CZ 4.05Å; V221-F514 HydrophobicContact CG2-CD2 3.87Å; V221-F514 HydrophobicContact CG2-CE2 3.7Å; V221-F514 HydrophobicContact CG2-CZ 4.31Å
222	T	91.5	Very high	92	Very high	7 Å²	7	39 Å²	39	4%	0.043	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	139.3	-178.7	58.3	0	0	0	0	110.4	F214 E215 I350 C351 S484	F214-T222 HydrophobicContact CB-CG2 4.24Å; F214-T222 HydrophobicContact CD2-CG2 4.49Å; E215-T222 HydrophobicContact CG-CG2 3.79Å; E215-T222 PolarHBondContact OE1-OG1 3.06Å; T222-I350 CarbonylContact C-O 3.57Å; T222-I350 WeakPolarHBondContact CA-O 3.42Å; T222-C351 HydrophobicContact CG2-CB 3.83Å; T222-S484 VanDerWaalsContact O-CB 3.26Å; T222-S484 WeakPolarHBondContact O-CB 3.05Å; T222-S484 PolarHBondContact O-OG 3.31Å
223	E	87.2	Confident	91.4	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.065	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.6	168.2	-69.6	176.4	-103.5	0	0	107.9	E349 I350 N352 V420 R486	E223-E349 CarbonylContact O-C 3.54Å; E223-E349 WeakPolarHBondContact O-CA 3.44Å; E223-I350 PolarHBondContact N-O 3.36Å; E223-I350 PolarHBondContact O-N 3.17Å; E223-N352 PolarHBondContact OE1-ND2 3.29Å; E223-V420 HydrophobicContact CG-CG1 4.44Å; E223-R486 IonicContact OE1-CZ 3.48Å; E223-R486 IonicContact OE1-NE 2.98Å; E223-R486 IonicContact OE1-NH2 2.96Å; E223-R486 PolarHBondContact OE1-NH2 3.16Å; E223-R486 IonicContact OE2-CZ 2.64Å; E223-R486 IonicContact OE2-NE 3.78Å; E223-R486 PolarHBondContact OE2-NE 2.85Å; E223-R486 IonicContact OE2-NH2 3.61Å; E223-R486 PolarHBondContact OE2-NH2 2.97Å
224	W	88.2	Confident	91.2	Very high	100 Å²	100	40.7 Å²	40.7	38%	0.379	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.4	178.1	66.9	-83.4	0	0	0	111.3	E226 L348 E349	W224-E226 HydrophobicContact CZ3-CB 4.06Å; W224-L348 CarbonylContact C-O 3.59Å; W224-L348 WeakPolarHBondContact CA-O 3.43Å; W224-E349 HydrophobicContact CB-CG 4.27Å
225	Y	89.9	Confident	91.1	Very high	46 Å²	46	41 Å²	41	18%	0.18	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.4	178.8	-64.1	-88.9	0	0	0	109.4	L227 P231 L234 I237 R347 L348 I350	Y225-L227 PolarHBondContact O-N 3.45Å; Y225-P231 HydrophobicContact CD1-CG 4.4Å; Y225-P231 HydrophobicContact CE1-CG 4.27Å; Y225-L234 HydrophobicContact CD1-CD1 4.13Å; Y225-L234 HydrophobicContact CD2-CD1 4.15Å; Y225-L234 HydrophobicContact CE1-CD1 4.46Å; Y225-L234 HydrophobicContact CE2-CD1 4.48Å; Y225-L234 HydrophobicContact CG-CD1 3.97Å; Y225-I237 HydrophobicContact CE1-CD1 4.46Å; Y225-R347 WeakPolarHBondContact O-CA 3.26Å; Y225-L348 HydrophobicContact CD2-CD2 4.26Å; Y225-L348 PolarHBondContact N-O 2.77Å; Y225-L348 PolarHBondContact O-N 3.18Å; Y225-I350 HydrophobicContact CD2-CD1 4.25Å; Y225-I350 HydrophobicContact CD2-CG1 4.44Å; Y225-I350 HydrophobicContact CE2-CD1 3.79Å; Y225-I350 HydrophobicContact CE2-CG1 4.24Å
226	E	91.8	Very high	90.6	Very high	63 Å²	63	44.3 Å²	44.3	29%	0.294	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	110.8	165.8	-167.7	-174.3	166.8	0	0	108.5	W224 R228 K229 A230	W224-E226 HydrophobicContact CZ3-CB 4.06Å; E226-R228 PolarHBondContact O-N 2.93Å; E226-R228 VanDerWaalsContact O-N 3.11Å; E226-K229 CarbonylContact O-C 3.41Å; E226-K229 PolarHBondContact O-N 2.74Å; E226-K229 IonicContact OE1-NZ 3.1Å; E226-K229 WeakPolarHBondContact OE2-CD 3.4Å; E226-K229 WeakPolarHBondContact OE2-CE 3.42Å; E226-K229 IonicContact OE2-NZ 2.81Å; E226-K229 PolarHBondContact OE2-NZ 2.93Å; E226-A230 PolarHBondContact O-N 3.39Å
227	L	94.9	Very high	90.1	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-62.8	-26.6	-171.2	-64.8	-178.2	0	0	0	113.1	Y225 K229 A230 L234 F341 M342 F345 T346 L348	Y225-L227 PolarHBondContact O-N 3.45Å; L227-K229 PolarHBondContact O-N 3.44Å; L227-A230 PolarHBondContact O-N 2.91Å; L227-L234 HydrophobicContact CD2-CD2 3.57Å; L227-F341 HydrophobicContact CD1-CD1 4.24Å; L227-F341 HydrophobicContact CD1-CE1 3.62Å; L227-F341 HydrophobicContact CD1-CE2 4Å; L227-F341 HydrophobicContact CD1-CZ 3.48Å; L227-F341 VanDerWaalsContact CD1-CZ 3.48Å; L227-F341 HydrophobicContact CD2-CE1 3.78Å; L227-F341 HydrophobicContact CD2-CZ 4.13Å; L227-F341 HydrophobicContact CG-CE1 4.38Å; L227-F341 HydrophobicContact CG-CZ 4.46Å; L227-M342 HydrophobicContact CB-SD 4.26Å; L227-M342 HydrophobicContact CD2-SD 3.98Å; L227-M342 WeakPolarHBondContact O-CE 3.44Å; L227-F345 HydrophobicContact CD1-CB 3.47Å; L227-F345 VanDerWaalsContact CD1-CB 3.47Å; L227-T346 PolarHBondContact N-O 3.11Å; L227-L348 HydrophobicContact CD2-CB 3.87Å
228	R	92.5	Very high	89.9	Confident	195 Å²	195	46.3 Å²	46.3	74%	0.736	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-69.2	-20.2	175.1	-63.6	-177.1	-176.4	-178	3.9	113.8	E226	E226-R228 PolarHBondContact O-N 2.93Å; E226-R228 VanDerWaalsContact O-N 3.11Å
229	K	91.1	Very high	89.6	Confident	158 Å²	158	47.7 Å²	47.7	69%	0.687	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-124.4	20.8	-179.9	-57.7	-176.2	-168.1	131.2	0	111.8	E226 L227	E226-K229 CarbonylContact O-C 3.41Å; E226-K229 PolarHBondContact O-N 2.74Å; E226-K229 IonicContact OE1-NZ 3.1Å; E226-K229 WeakPolarHBondContact OE2-CD 3.4Å; E226-K229 WeakPolarHBondContact OE2-CE 3.42Å; E226-K229 IonicContact OE2-NZ 2.81Å; E226-K229 PolarHBondContact OE2-NZ 2.93Å; L227-K229 PolarHBondContact O-N 3.44Å
230	A	88.4	Confident	89.1	Confident	24 Å²	24	51.7 Å²	51.7	20%	0.198	25%	0.251	C	S	.	.			trans	-64.5	150.9	-175.5	0	0	0	0	0	111.7	E226 L227 L234 M342	E226-A230 PolarHBondContact O-N 3.39Å; L227-A230 PolarHBondContact O-N 2.91Å; A230-L234 HydrophobicContact CB-CB 4.24Å; A230-L234 HydrophobicContact CB-CD2 3.53Å; A230-L234 HydrophobicContact CB-CG 4.38Å; A230-M342 HydrophobicContact CB-CE 3.76Å; A230-M342 HydrophobicContact CB-SD 4.41Å
231	P	85.2	Confident	88.8	Confident	53 Å²	53	51.9 Å²	51.9	34%	0.344	25%	0.253	S	S	.	.			trans	-66.7	152.8	173	33	-38.3	0	0	0	110.8	Y225 D233 L234 I237	Y225-P231 HydrophobicContact CD1-CG 4.4Å; Y225-P231 HydrophobicContact CE1-CG 4.27Å; P231-D233 WeakPolarHBondContact CB-OD1 3.48Å; P231-D233 PolarHBondContact O-N 2.9Å; P231-L234 HydrophobicContact CG-CB 4.34Å; P231-L234 VanDerWaalsContact O-CB 3.31Å; P231-L234 WeakPolarHBondContact O-CB 3.45Å; P231-L234 PolarHBondContact O-N 3.1Å; P231-L234 VanDerWaalsContact O-N 3.08Å; P231-I237 HydrophobicContact CG-CD1 4.05Å
232	S	87.5	Confident	88.5	Confident	136 Å²	136	53.8 Å²	53.8	95%	0.951	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.5	-176.5	51.6	0	0	0	0	113.7
233	D	84	Confident	88	Confident	45 Å²	45	61 Å²	61	24%	0.241	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	8.5	178	66.3	-24.9	0	0	0	113.6	P231 Y235 Q236 I237 R413	P231-D233 WeakPolarHBondContact CB-OD1 3.48Å; P231-D233 PolarHBondContact O-N 2.9Å; D233-Y235 PolarHBondContact O-N 2.85Å; D233-Y235 VanDerWaalsContact O-N 3.08Å; D233-Q236 WeakPolarHBondContact O-CA 3.36Å; D233-Q236 WeakPolarHBondContact O-CB 3.46Å; D233-Q236 PolarHBondContact O-N 2.96Å; D233-I237 PolarHBondContact O-N 3.46Å; D233-I237 VanDerWaalsContact O-N 3.11Å; D233-R413 IonicContact OD2-NH2 2.8Å; D233-R413 PolarHBondContact OD2-NH2 3.41Å
234	L	90.9	Very high	87.5	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-51.1	-39.6	-175.9	-179.4	64.7	0	0	0	113.8	Y225 L227 A230 P231 Q236 I237 I238 F338 M342 L348	Y225-L234 HydrophobicContact CD1-CD1 4.13Å; Y225-L234 HydrophobicContact CD2-CD1 4.15Å; Y225-L234 HydrophobicContact CE1-CD1 4.46Å; Y225-L234 HydrophobicContact CE2-CD1 4.48Å; Y225-L234 HydrophobicContact CG-CD1 3.97Å; L227-L234 HydrophobicContact CD2-CD2 3.57Å; A230-L234 HydrophobicContact CB-CB 4.24Å; A230-L234 HydrophobicContact CB-CD2 3.53Å; A230-L234 HydrophobicContact CB-CG 4.38Å; P231-L234 HydrophobicContact CG-CB 4.34Å; P231-L234 VanDerWaalsContact O-CB 3.31Å; P231-L234 WeakPolarHBondContact O-CB 3.45Å; P231-L234 PolarHBondContact O-N 3.1Å; P231-L234 VanDerWaalsContact O-N 3.08Å; L234-Q236 VanDerWaalsContact C-N 3.29Å; L234-Q236 PolarHBondContact O-N 3.43Å; L234-I237 WeakPolarHBondContact O-CB 3.44Å; L234-I237 PolarHBondContact O-N 3.12Å; L234-I237 VanDerWaalsContact O-N 3.14Å; L234-I238 HydrophobicContact CG-CD1 4.13Å; L234-I238 WeakPolarHBondContact O-CG1 3.47Å; L234-I238 PolarHBondContact O-N 3.25Å; L234-F338 HydrophobicContact CB-CZ 4.25Å; L234-F338 HydrophobicContact CD2-CZ 4.07Å; L234-F338 HydrophobicContact CG-CZ 4.16Å; L234-M342 HydrophobicContact CD2-SD 3.85Å; L234-L348 HydrophobicContact CD1-CD2 3.9Å; L234-L348 HydrophobicContact CD2-CD2 4.42Å; L234-L348 HydrophobicContact CG-CD2 4.48Å
235	Y	93.8	Very high	87.3	Confident	8 Å²	8	62.2 Å²	62.2	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-37.3	178.5	-172.7	-104.1	0	0	0	112.7	D233 I238 L239 A279 K280 Q281 N290 L291 F338	D233-Y235 PolarHBondContact O-N 2.85Å; D233-Y235 VanDerWaalsContact O-N 3.08Å; Y235-I238 PolarHBondContact O-N 3.31Å; Y235-L239 HydrophobicContact CD1-CD1 3.87Å; Y235-L239 HydrophobicContact CD1-CG 4.43Å; Y235-L239 HydrophobicContact CE1-CD1 3.55Å; Y235-L239 HydrophobicContact CE1-CG 4.1Å; Y235-L239 PolarHBondContact O-N 2.96Å; Y235-A279 HydrophobicContact CE2-CB 4.18Å; Y235-K280 PolarHBondContact OH-N 3.14Å; Y235-K280 PolarHBondContact OH-O 3.06Å; Y235-K280 VanDerWaalsContact OH-O 3.07Å; Y235-Q281 HydrophobicContact CE1-CG 3.76Å; Y235-N290 HydrophobicContact CD1-CB 4.19Å; Y235-N290 HydrophobicContact CD2-CB 4Å; Y235-N290 HydrophobicContact CE1-CB 3.81Å; Y235-N290 VanDerWaalsContact CE1-CG 3.44Å; Y235-N290 HydrophobicContact CE2-CB 3.62Å; Y235-N290 HydrophobicContact CG-CB 4.26Å; Y235-L291 PolarHBondContact OH-O 2.77Å; Y235-F338 HydrophobicContact CD2-CB 3.99Å; Y235-F338 AromaticContact CD2-CD1 3.97Å; Y235-F338 HydrophobicContact CD2-CD1 3.97Å; Y235-F338 AromaticContact CD2-CD2 3.56Å; Y235-F338 HydrophobicContact CD2-CD2 3.56Å; Y235-F338 HydrophobicContact CD2-CE1 4.35Å; Y235-F338 AromaticContact CD2-CE2 3.97Å; Y235-F338 HydrophobicContact CD2-CE2 3.97Å; Y235-F338 AromaticContact CD2-CG 3.55Å; Y235-F338 HydrophobicContact CD2-CG 3.55Å; Y235-F338 HydrophobicContact CD2-CZ 4.35Å; Y235-F338 HydrophobicContact CE2-CB 4.18Å; Y235-F338 HydrophobicContact CE2-CD2 4.25Å; Y235-F338 HydrophobicContact CE2-CG 4.21Å; Y235-F338 HydrophobicContact CG-CD1 4.32Å; Y235-F338 HydrophobicContact CG-CE1 4.49Å; Y235-F338 HydrophobicContact CG-CG 4.34Å
236	Q	85.5	Confident	87.2	Confident	71 Å²	71	60.5 Å²	60.5	33%	0.332	30%	0.3	S	S	.	.	H	α-helix	trans	-71.4	-34.5	175.5	-63.8	-60.1	-29.2	0	0	111.5	D233 L234 I238 L239 K240	D233-Q236 WeakPolarHBondContact O-CA 3.36Å; D233-Q236 WeakPolarHBondContact O-CB 3.46Å; D233-Q236 PolarHBondContact O-N 2.96Å; L234-Q236 VanDerWaalsContact C-N 3.29Å; L234-Q236 PolarHBondContact O-N 3.43Å; Q236-I238 VanDerWaalsContact C-N 3.33Å; Q236-L239 PolarHBondContact O-N 3.32Å; Q236-K240 WeakPolarHBondContact O-CB 3.42Å; Q236-K240 VanDerWaalsContact O-CG 3.32Å; Q236-K240 WeakPolarHBondContact O-CG 3.31Å; Q236-K240 PolarHBondContact O-N 3.46Å
237	I	86	Confident	87.3	Confident	43 Å²	43	57.6 Å²	57.6	22%	0.221	29%	0.286	C	S	.	.	H	α-helix	trans	-59.9	-46.3	171.9	-60.8	175.3	0	0	0	109.9	Y225 P231 D233 L234 K240 A241 I350	Y225-I237 HydrophobicContact CE1-CD1 4.46Å; P231-I237 HydrophobicContact CG-CD1 4.05Å; D233-I237 PolarHBondContact O-N 3.46Å; D233-I237 VanDerWaalsContact O-N 3.11Å; L234-I237 WeakPolarHBondContact O-CB 3.44Å; L234-I237 PolarHBondContact O-N 3.12Å; L234-I237 VanDerWaalsContact O-N 3.14Å; I237-K240 PolarHBondContact O-N 3.47Å; I237-A241 VanDerWaalsContact O-CB 3.28Å; I237-A241 WeakPolarHBondContact O-CB 3.32Å; I237-A241 PolarHBondContact O-N 3.4Å; I237-I350 HydrophobicContact CG2-CD1 4.01Å
238	I	91.2	Very high	87.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-48.5	178.3	-69.4	166.7	0	0	0	111.5	L234 Y235 Q236 K240 A241 L242 L248 A279 I292 F338 L348	L234-I238 HydrophobicContact CG-CD1 4.13Å; L234-I238 WeakPolarHBondContact O-CG1 3.47Å; L234-I238 PolarHBondContact O-N 3.25Å; Y235-I238 PolarHBondContact O-N 3.31Å; Q236-I238 VanDerWaalsContact C-N 3.33Å; I238-K240 PolarHBondContact O-N 3Å; I238-A241 PolarHBondContact O-N 3.04Å; I238-L242 HydrophobicContact CG2-CD1 3.89Å; I238-L242 WeakPolarHBondContact O-CG 3.41Å; I238-L242 PolarHBondContact O-N 3.4Å; I238-L248 HydrophobicContact CB-CD2 4.4Å; I238-L248 HydrophobicContact CG1-CD2 4.35Å; I238-L248 HydrophobicContact CG2-CD2 3.87Å; I238-A279 HydrophobicContact CG2-CB 3.94Å; I238-I292 HydrophobicContact CD1-CD1 4.22Å; I238-F338 HydrophobicContact CD1-CE2 3.68Å; I238-F338 HydrophobicContact CD1-CZ 4.38Å; I238-L348 HydrophobicContact CD1-CD2 3.8Å; I238-L348 HydrophobicContact CG1-CD2 3.75Å
239	L	88.1	Confident	87.5	Confident	28 Å²	28	48.3 Å²	48.3	15%	0.147	25%	0.251	C	S	.	.	H	α-helix	trans	-56.4	-51	177.6	-77.4	170.7	0	0	0	111.3	Y235 Q236 A241 L242 E243 A279	Y235-L239 HydrophobicContact CD1-CD1 3.87Å; Y235-L239 HydrophobicContact CD1-CG 4.43Å; Y235-L239 HydrophobicContact CE1-CD1 3.55Å; Y235-L239 HydrophobicContact CE1-CG 4.1Å; Y235-L239 PolarHBondContact O-N 2.96Å; Q236-L239 PolarHBondContact O-N 3.32Å; L239-A241 VanDerWaalsContact C-N 3.3Å; L239-A241 PolarHBondContact O-N 2.84Å; L239-L242 PolarHBondContact O-N 3.02Å; L239-E243 WeakPolarHBondContact O-CB 3.42Å; L239-E243 WeakPolarHBondContact O-CG 3.33Å; L239-E243 PolarHBondContact O-N 3.26Å; L239-A279 HydrophobicContact CD2-CB 3.75Å; L239-A279 WeakPolarHBondContact CD2-O 3.4Å; L239-A279 HydrophobicContact CG-CB 4.32Å
240	K	81.3	Confident	87.7	Confident	89 Å²	89	40.8 Å²	40.8	39%	0.387	22%	0.218	S	C	.	.	H	α-helix	trans	-62.5	-37.3	178.6	-70.2	177.9	-178.2	179.9	0	112.1	Q236 I237 I238 R244	Q236-K240 WeakPolarHBondContact O-CB 3.42Å; Q236-K240 VanDerWaalsContact O-CG 3.32Å; Q236-K240 WeakPolarHBondContact O-CG 3.31Å; Q236-K240 PolarHBondContact O-N 3.46Å; I237-K240 PolarHBondContact O-N 3.47Å; I238-K240 PolarHBondContact O-N 3Å; K240-R244 WeakPolarHBondContact O-CB 3.5Å; K240-R244 VanDerWaalsContact O-CD 3.26Å; K240-R244 WeakPolarHBondContact O-CD 3.44Å; K240-R244 WeakPolarHBondContact O-CG 3.32Å; K240-R244 PolarHBondContact O-N 2.78Å; K240-R244 VanDerWaalsContact O-N 3.07Å
241	A	84.9	Confident	88.1	Confident	5 Å²	5	40.6 Å²	40.6	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-47.4	178.6	0	0	0	0	0	111.2	I237 I238 L239 R244 G245 S246 L248 I350	I237-A241 VanDerWaalsContact O-CB 3.28Å; I237-A241 WeakPolarHBondContact O-CB 3.32Å; I237-A241 PolarHBondContact O-N 3.4Å; I238-A241 PolarHBondContact O-N 3.04Å; L239-A241 VanDerWaalsContact C-N 3.3Å; L239-A241 PolarHBondContact O-N 2.84Å; A241-R244 PolarHBondContact O-N 2.66Å; A241-G245 PolarHBondContact O-N 3.01Å; A241-S246 WeakPolarHBondContact O-CB 3.4Å; A241-S246 PolarHBondContact O-N 2.84Å; A241-S246 PolarHBondContact O-OG 3.11Å; A241-L248 HydrophobicContact CB-CD1 3.94Å; A241-L248 HydrophobicContact CB-CD2 4.34Å; A241-L248 HydrophobicContact CB-CG 4.5Å; A241-I350 HydrophobicContact CB-CD1 4.33Å; A241-I350 HydrophobicContact CB-CG2 3.82Å
242	L	85.7	Confident	88.6	Confident	41 Å²	41	38.7 Å²	38.7	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-45	176.5	-71.7	166.5	0	0	0	111.9	I238 L239 R244 G245 L248 A279	I238-L242 HydrophobicContact CG2-CD1 3.89Å; I238-L242 WeakPolarHBondContact O-CG 3.41Å; I238-L242 PolarHBondContact O-N 3.4Å; L239-L242 PolarHBondContact O-N 3.02Å; L242-R244 PolarHBondContact O-N 2.74Å; L242-G245 PolarHBondContact O-N 3.31Å; L242-L248 HydrophobicContact CD2-CD1 3.91Å; L242-L248 HydrophobicContact CD2-CD2 4.34Å; L242-L248 HydrophobicContact CG-CD1 4.14Å; L242-L248 HydrophobicContact CG-CD2 4.13Å; L242-A279 HydrophobicContact CD1-CB 3.79Å
243	E	80.9	Confident	88.8	Confident	157 Å²	157	35.1 Å²	35.1	73%	0.734	17%	0.173	S	C	*	.	H	α-helix	trans	-60.9	-30.7	176.2	-74.4	173.5	-177.5	0	0	112.8	L239 G245	L239-E243 WeakPolarHBondContact O-CB 3.42Å; L239-E243 WeakPolarHBondContact O-CG 3.33Å; L239-E243 PolarHBondContact O-N 3.26Å; E243-G245 VanDerWaalsContact C-N 3.26Å; E243-G245 PolarHBondContact O-N 2.86Å
244	R	76.8	Confident	89.1	Confident	122 Å²	122	35.5 Å²	35.5	46%	0.46	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.2	176.2	-69.8	167.7	-175.4	-170.7	-1.9	113.3	K240 A241 L242 S246	K240-R244 WeakPolarHBondContact O-CB 3.5Å; K240-R244 VanDerWaalsContact O-CD 3.26Å; K240-R244 WeakPolarHBondContact O-CD 3.44Å; K240-R244 WeakPolarHBondContact O-CG 3.32Å; K240-R244 PolarHBondContact O-N 2.78Å; K240-R244 VanDerWaalsContact O-N 3.07Å; A241-R244 PolarHBondContact O-N 2.66Å; L242-R244 PolarHBondContact O-N 2.74Å; R244-S246 VanDerWaalsContact C-N 3.27Å; R244-S246 PolarHBondContact O-N 2.68Å
245	G	82.6	Confident	88.9	Confident	18 Å²	18	40.5 Å²	40.5	19%	0.186	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	18.4	-176.7	0	0	0	0	0	114	N127 A241 L242 E243 L353	N127-G245 PolarHBondContact ND2-O 3.33Å; A241-G245 PolarHBondContact O-N 3.01Å; L242-G245 PolarHBondContact O-N 3.31Å; E243-G245 VanDerWaalsContact C-N 3.26Å; E243-G245 PolarHBondContact O-N 2.86Å; G245-L353 WeakPolarHBondContact O-CD1 3.47Å
246	S	88.1	Confident	88.6	Confident	10 Å²	10	42.4 Å²	42.4	7%	0.07	22%	0.224	C	C	.	.			trans	-61.7	149.7	173.2	-48.4	0	0	0	0	109.5	A241 R244 L248 C351	A241-S246 WeakPolarHBondContact O-CB 3.4Å; A241-S246 PolarHBondContact O-N 2.84Å; A241-S246 PolarHBondContact O-OG 3.11Å; R244-S246 VanDerWaalsContact C-N 3.27Å; R244-S246 PolarHBondContact O-N 2.68Å; S246-L248 WeakPolarHBondContact O-CD1 3.34Å; S246-C351 WeakPolarHBondContact CA-O 3.39Å; S246-C351 VanDerWaalsContact CB-O 3.27Å; S246-C351 WeakPolarHBondContact CB-O 3.38Å
247	L	93	Very high	88.5	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.3	175.9	-50.4	-173.9	0	0	0	109.1	S123 L124 L130 F214 T218 C351	S123-L247 WeakPolarHBondContact O-CD2 3.35Å; L124-L247 HydrophobicContact CB-CD1 4.49Å; L124-L247 HydrophobicContact CD1-CD1 4.28Å; L130-L247 HydrophobicContact CD1-CD2 4.31Å; F214-L247 HydrophobicContact CB-CD1 4.37Å; F214-L247 HydrophobicContact CD1-CB 3.43Å; F214-L247 VanDerWaalsContact CD1-CB 3.43Å; F214-L247 HydrophobicContact CD1-CD1 3.61Å; F214-L247 HydrophobicContact CD1-CG 4.18Å; F214-L247 HydrophobicContact CD2-CB 4.37Å; F214-L247 HydrophobicContact CE1-CB 3.52Å; F214-L247 HydrophobicContact CE1-CD1 4.26Å; F214-L247 HydrophobicContact CE2-CB 4.45Å; F214-L247 HydrophobicContact CG-CB 3.89Å; F214-L247 HydrophobicContact CG-CD1 4.3Å; F214-L247 HydrophobicContact CZ-CB 4.06Å; T218-L247 HydrophobicContact CG2-CD1 3.5Å; T218-L247 VanDerWaalsContact CG2-CD1 3.5Å; T218-L247 HydrophobicContact CG2-CG 4.19Å; L247-C351 HydrophobicContact CB-CB 4.18Å; L247-C351 PolarHBondContact N-O 3.43Å; L247-C351 PolarHBondContact O-N 3.17Å
248	L	95.1	Very high	88.4	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.6	-177.9	-70.8	74.6	0	0	0	110.4	S123 I238 A241 L242 S246 V276 E349 I350	S123-L248 PolarHBondContact OG-O 3.46Å; I238-L248 HydrophobicContact CB-CD2 4.4Å; I238-L248 HydrophobicContact CG1-CD2 4.35Å; I238-L248 HydrophobicContact CG2-CD2 3.87Å; A241-L248 HydrophobicContact CB-CD1 3.94Å; A241-L248 HydrophobicContact CB-CD2 4.34Å; A241-L248 HydrophobicContact CB-CG 4.5Å; L242-L248 HydrophobicContact CD2-CD1 3.91Å; L242-L248 HydrophobicContact CD2-CD2 4.34Å; L242-L248 HydrophobicContact CG-CD1 4.14Å; L242-L248 HydrophobicContact CG-CD2 4.13Å; S246-L248 WeakPolarHBondContact O-CD1 3.34Å; L248-V276 HydrophobicContact CB-CB 3.68Å; L248-V276 HydrophobicContact CB-CG1 4.3Å; L248-V276 HydrophobicContact CB-CG2 4.35Å; L248-V276 HydrophobicContact CD2-CB 4.4Å; L248-V276 HydrophobicContact CD2-CG1 4.15Å; L248-V276 PolarHBondContact O-N 3.49Å; L248-E349 WeakPolarHBondContact CA-O 3.42Å; L248-I350 HydrophobicContact CD1-CG2 4.38Å; L248-I350 HydrophobicContact CD2-CD1 4.45Å; L248-I350 HydrophobicContact CD2-CG1 4.42Å; L248-I350 HydrophobicContact CG-CG1 4.15Å; L248-I350 HydrophobicContact CG-CG2 4.27Å
249	G	96.6	Very high	88.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	157.8	174.7	0	0	0	0	0	110.7	Y274 L348 E349	G249-Y274 CarbonylContact C-O 3.54Å; G249-Y274 WeakPolarHBondContact CA-O 3.47Å; G249-L348 CarbonylContact O-C 3.53Å; G249-L348 WeakPolarHBondContact O-CD1 3.43Å; G249-E349 PolarHBondContact N-O 2.75Å; G249-E349 PolarHBondContact O-N 3.28Å
250	C	97.2	Very high	88.1	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	161.6	177	58.7	0	0	0	0	111.2	Y274 V276 F341 F345 R347 L348	C250-Y274 PolarHBondContact N-O 2.93Å; C250-Y274 PolarHBondContact O-N 3.18Å; C250-V276 HydrophobicContact CB-CG2 4.17Å; C250-F341 HydrophobicContact CB-CE2 3.88Å; C250-F341 HydrophobicContact CB-CZ 4.19Å; C250-F345 HydrophobicContact CB-CD1 4Å; C250-F345 HydrophobicContact CB-CE1 4.44Å; C250-R347 VanDerWaalsContact CA-O 3.22Å; C250-R347 WeakPolarHBondContact CA-O 3.44Å; C250-R347 VanDerWaalsContact CB-O 3.31Å; C250-R347 WeakPolarHBondContact CB-O 3.5Å; C250-L348 HydrophobicContact CB-CD1 4.35Å
251	S	96.7	Very high	88.3	Confident	20 Å²	20	55.5 Å²	55.5	14%	0.14	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	161.5	-179	60.7	0	0	0	0	112.5	H272 T346 R347	S251-H272 WeakPolarHBondContact CB-O 3.46Å; S251-T346 PolarHBondContact O-N 3.07Å; S251-R347 PolarHBondContact N-O 2.99Å; S251-R347 PolarHBondContact O-N 3.16Å; S251-R347 VanDerWaalsContact O-N 3.13Å
252	I	95.9	Very high	88.6	Confident	14 Å²	14	56.9 Å²	56.9	7%	0.072	31%	0.311	C	S	.	.			trans	-110.8	120.9	175	-49.9	178.6	0	0	0	107.6	L268 K270 G271 F345	I252-L268 HydrophobicContact CD1-CB 3.69Å; I252-L268 HydrophobicContact CD1-CD1 4.06Å; I252-L268 HydrophobicContact CD1-CG 4.46Å; I252-K270 HydrophobicContact CG2-CG 4.06Å; I252-G271 PolarHBondContact O-N 2.86Å; I252-F345 HydrophobicContact CD1-CD1 4.43Å; I252-F345 HydrophobicContact CD1-CE1 4.27Å; I252-F345 HydrophobicContact CD1-CE2 4.5Å; I252-F345 HydrophobicContact CD1-CZ 4.3Å; I252-F345 HydrophobicContact CG1-CD1 3.7Å; I252-F345 HydrophobicContact CG1-CE1 3.9Å; I252-F345 HydrophobicContact CG1-CG 4.07Å; I252-F345 HydrophobicContact CG1-CZ 4.4Å
253	D	91.5	Very high	89	Confident	60 Å²	60	59.5 Å²	59.5	32%	0.321	33%	0.325	S	S	.	.			trans	-66.9	144.7	179.3	-78.1	7.6	0	0	0	110.9	T346 R347	D253-T346 HydrophobicContact CB-CG2 3.88Å; D253-T346 PolarHBondContact N-OG1 2.95Å; D253-T346 WeakPolarHBondContact OD2-CG2 3.41Å; D253-R347 IonicContact OD1-CZ 2.66Å; D253-R347 IonicContact OD1-NE 3.56Å; D253-R347 PolarHBondContact OD1-NE 2.85Å; D253-R347 IonicContact OD1-NH2 3.35Å; D253-R347 PolarHBondContact OD1-NH2 3Å; D253-R347 IonicContact OD2-CZ 3.14Å; D253-R347 IonicContact OD2-NE 3.32Å; D253-R347 PolarHBondContact OD2-NE 2.83Å; D253-R347 VanDerWaalsContact OD2-NE 3.13Å; D253-R347 IonicContact OD2-NH2 2.94Å; D253-R347 PolarHBondContact OD2-NH2 3.16Å
254	I	90.4	Very high	89.6	Confident	54 Å²	54	53.7 Å²	53.7	28%	0.277	30%	0.3	S	S	.	.			trans	-92.5	144.1	172.6	57.3	179.2	0	0	0	110.4	S256 D259 M260 K270	I254-S256 WeakPolarHBondContact CD1-O 3.46Å; I254-D259 HydrophobicContact CB-CB 3.97Å; I254-D259 HydrophobicContact CG2-CB 3.92Å; I254-D259 WeakPolarHBondContact CG2-O 3.38Å; I254-M260 HydrophobicContact CD1-CB 4.34Å; I254-M260 HydrophobicContact CD1-CE 4.22Å; I254-K270 HydrophobicContact CG2-CB 3.86Å
255	S	86.6	Confident	90.4	Very high	107 Å²	107	56.3 Å²	56.3	75%	0.748	32%	0.315	S	S	*	.	S	Bend	trans	-84.5	-21.3	172.9	51.8	0	0	0	0	112.7	D259	S255-D259 PolarHBondContact OG-OD2 3.16Å
256	S	87.7	Confident	91	Very high	47 Å²	47	57.3 Å²	57.3	33%	0.329	31%	0.314	S	S	.	.	S	Bend	trans	-151.5	161	174.4	93.7	0	0	0	0	110.5	I254 L258 D259	I254-S256 WeakPolarHBondContact CD1-O 3.46Å; S256-L258 PolarHBondContact O-N 3.15Å; S256-L258 VanDerWaalsContact O-N 3.15Å; S256-L258 WeakPolarHBondContact OG-CB 3.32Å; S256-L258 PolarHBondContact OG-N 2.82Å; S256-L258 VanDerWaalsContact OG-N 3.15Å; S256-D259 WeakPolarHBondContact O-CB 3.32Å; S256-D259 PolarHBondContact O-N 3.26Å
257	V	83	Confident	91.4	Very high	121 Å²	121	61.3 Å²	61.3	73%	0.733	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-60.1	-24.8	176.7	-172.9	0	0	0	0	112.3	D259 M260	V257-D259 PolarHBondContact O-N 3.15Å; V257-M260 VanDerWaalsContact O-CB 3.28Å; V257-M260 WeakPolarHBondContact O-CB 3.42Å; V257-M260 PolarHBondContact O-N 3.01Å
258	L	82.4	Confident	91.5	Very high	163 Å²	163	61.2 Å²	61.2	85%	0.853	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-69.1	-19.4	176.1	-59.8	169.2	0	0	0	113	S256 M260	S256-L258 PolarHBondContact O-N 3.15Å; S256-L258 VanDerWaalsContact O-N 3.15Å; S256-L258 WeakPolarHBondContact OG-CB 3.32Å; S256-L258 PolarHBondContact OG-N 2.82Å; S256-L258 VanDerWaalsContact OG-N 3.15Å; L258-M260 VanDerWaalsContact C-N 3.3Å
259	D	87.1	Confident	91.5	Very high	40 Å²	40	61.1 Å²	61.1	21%	0.214	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-87.5	1.6	177.6	-81.1	30.3	0	0	0	112.1	I254 S255 S256 V257 E261 A262 K270	I254-D259 HydrophobicContact CB-CB 3.97Å; I254-D259 HydrophobicContact CG2-CB 3.92Å; I254-D259 WeakPolarHBondContact CG2-O 3.38Å; S255-D259 PolarHBondContact OG-OD2 3.16Å; S256-D259 WeakPolarHBondContact O-CB 3.32Å; S256-D259 PolarHBondContact O-N 3.26Å; V257-D259 PolarHBondContact O-N 3.15Å; D259-E261 PolarHBondContact O-N 3.01Å; D259-A262 VanDerWaalsContact O-CB 3.23Å; D259-A262 WeakPolarHBondContact O-CB 3.47Å; D259-A262 PolarHBondContact O-N 3.44Å; D259-A262 VanDerWaalsContact O-N 3.09Å; D259-K270 HydrophobicContact CB-CD 4.44Å; D259-K270 IonicContact OD2-NZ 3.92Å; D259-K270 PolarHBondContact OD2-NZ 3.09Å
260	M	86.5	Confident	91.4	Very high	113 Å²	113	64 Å²	64	56%	0.557	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	126.5	178.1	-175.9	169	-77.5	0	0	110.7	I254 V257 L258 A262	I254-M260 HydrophobicContact CD1-CB 4.34Å; I254-M260 HydrophobicContact CD1-CE 4.22Å; V257-M260 VanDerWaalsContact O-CB 3.28Å; V257-M260 WeakPolarHBondContact O-CB 3.42Å; V257-M260 PolarHBondContact O-N 3.01Å; L258-M260 VanDerWaalsContact C-N 3.3Å; M260-A262 PolarHBondContact O-N 2.86Å
261	E	86.7	Confident	91.2	Very high	69 Å²	69	65.4 Å²	65.4	32%	0.322	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	20.7	-174	-61.5	-176	171.3	0	0	114.4	D259 I263 V269 K270 W298	D259-E261 PolarHBondContact O-N 3.01Å; E261-I263 PolarHBondContact O-N 3.39Å; E261-V269 HydrophobicContact CB-CG1 4.22Å; E261-K270 WeakPolarHBondContact CA-O 3.43Å; E261-K270 PolarHBondContact N-O 2.91Å; E261-W298 HydrophobicContact CB-CH2 4.47Å; E261-W298 HydrophobicContact CB-CZ2 4.21Å; E261-W298 HydrophobicContact CG-CZ2 4.29Å
262	A	90.8	Very high	91	Very high	35 Å²	35	64.6 Å²	64.6	29%	0.289	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-71.8	128.8	176.6	0	0	0	0	0	111.6	D259 M260 K270	D259-A262 VanDerWaalsContact O-CB 3.23Å; D259-A262 WeakPolarHBondContact O-CB 3.47Å; D259-A262 PolarHBondContact O-N 3.44Å; D259-A262 VanDerWaalsContact O-N 3.09Å; M260-A262 PolarHBondContact O-N 2.86Å; A262-K270 PolarHBondContact O-N 3.24Å
263	I	94	Very high	91	Very high	96 Å²	96	64.2 Å²	64.2	49%	0.492	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-83.4	123.5	178	-51.5	179.1	0	0	0	109.9	E261 K267 V269 W298 V301	E261-I263 PolarHBondContact O-N 3.39Å; I263-K267 HydrophobicContact CG2-CB 4.46Å; I263-V269 HydrophobicContact CG1-CG2 4.33Å; I263-W298 HydrophobicContact CD1-CZ3 4.22Å; I263-W298 HydrophobicContact CG1-CZ3 4.45Å; I263-V301 HydrophobicContact CD1-CG1 4.36Å; I263-V301 HydrophobicContact CG2-CG1 4.32Å
264	T	93.7	Very high	91.2	Very high	34 Å²	34	61.3 Å²	61.3	21%	0.209	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-73.9	167.2	175.4	64.7	0	0	0	0	111.9	K266 K267 L268 K270	T264-K266 PolarHBondContact O-N 3.13Å; T264-K266 VanDerWaalsContact O-N 3.11Å; T264-K267 WeakPolarHBondContact O-CA 3.23Å; T264-K267 PolarHBondContact O-N 3.24Å; T264-L268 WeakPolarHBondContact CB-O 3.36Å; T264-L268 HydrophobicContact CG2-CB 4.49Å; T264-L268 WeakPolarHBondContact CG2-O 3.49Å; T264-L268 PolarHBondContact N-O 2.89Å; T264-L268 WeakPolarHBondContact OG1-CB 3.38Å; T264-L268 PolarHBondContact OG1-N 3.48Å; T264-L268 PolarHBondContact OG1-O 2.99Å; T264-K270 HydrophobicContact CG2-CD 4.5Å; T264-K270 HydrophobicContact CG2-CG 4.03Å
265	F	94	Very high	91.5	Very high	178 Å²	178	58.8 Å²	58.8	78%	0.781	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-19.2	176.1	77.3	-85.7	0	0	0	114.2
266	K	94.9	Very high	92	Very high	39 Å²	39	53.7 Å²	53.7	17%	0.17	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	15.8	173.7	-57.5	-171.1	-177.1	169.7	0	113.1	T264 L268 W303 T304 R343 E344	T264-K266 PolarHBondContact O-N 3.13Å; T264-K266 VanDerWaalsContact O-N 3.11Å; K266-L268 PolarHBondContact O-N 3.35Å; K266-W303 HydrophobicContact CB-CE3 3.74Å; K266-W303 HydrophobicContact CB-CH2 4.34Å; K266-W303 HydrophobicContact CB-CZ3 3.49Å; K266-W303 VanDerWaalsContact CB-CZ3 3.49Å; K266-W303 HydrophobicContact CD-CE3 4.2Å; K266-W303 HydrophobicContact CD-CH2 3.26Å; K266-W303 HydrophobicContact CD-CZ2 4.25Å; K266-W303 HydrophobicContact CD-CZ3 3.22Å; K266-W303 HydrophobicContact CG-CH2 4.43Å; K266-W303 HydrophobicContact CG-CZ3 4.01Å; K266-T304 WeakPolarHBondContact CA-OG1 3.49Å; K266-T304 PolarHBondContact O-N 2.82Å; K266-R343 VanDerWaalsContact NZ-NH2 3.19Å; K266-E344 IonicContact NZ-OE1 3.92Å; K266-E344 PolarHBondContact NZ-OE1 2.88Å
267	K	95.2	Very high	92.3	Very high	93 Å²	93	51.8 Å²	51.8	40%	0.404	27%	0.272	S	S	.	.	S	Bend	trans	60.5	20.5	-178.1	-63.7	-165.7	-176.8	-178	0	116.2	I263 T264 V301 E302 T304	I263-K267 HydrophobicContact CG2-CB 4.46Å; T264-K267 WeakPolarHBondContact O-CA 3.23Å; T264-K267 PolarHBondContact O-N 3.24Å; K267-V301 HydrophobicContact CB-CG1 4.13Å; K267-V301 WeakPolarHBondContact O-CG1 3.37Å; K267-E302 WeakPolarHBondContact CB-O 3.43Å; K267-E302 WeakPolarHBondContact CD-O 3.43Å; K267-T304 HydrophobicContact CB-CG2 4.15Å; K267-T304 HydrophobicContact CD-CG2 3.57Å; K267-T304 HydrophobicContact CG-CG2 3.73Å
268	L	95.9	Very high	92.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-80.7	143.4	164.9	-58.7	176.5	0	0	0	110.2	I252 T264 K266 W303 F334 M336 E344 F345	I252-L268 HydrophobicContact CD1-CB 3.69Å; I252-L268 HydrophobicContact CD1-CD1 4.06Å; I252-L268 HydrophobicContact CD1-CG 4.46Å; T264-L268 WeakPolarHBondContact CB-O 3.36Å; T264-L268 HydrophobicContact CG2-CB 4.49Å; T264-L268 WeakPolarHBondContact CG2-O 3.49Å; T264-L268 PolarHBondContact N-O 2.89Å; T264-L268 WeakPolarHBondContact OG1-CB 3.38Å; T264-L268 PolarHBondContact OG1-N 3.48Å; T264-L268 PolarHBondContact OG1-O 2.99Å; K266-L268 PolarHBondContact O-N 3.35Å; L268-W303 HydrophobicContact CD1-CE3 3.79Å; L268-W303 HydrophobicContact CD1-CZ3 3.62Å; L268-W303 HydrophobicContact CD2-CB 4.34Å; L268-W303 HydrophobicContact CD2-CE3 3.86Å; L268-W303 HydrophobicContact CG-CE3 3.71Å; L268-W303 HydrophobicContact CG-CZ3 4.01Å; L268-F334 HydrophobicContact CD2-CE2 4.05Å; L268-F334 HydrophobicContact CD2-CZ 3.7Å; L268-M336 HydrophobicContact CD1-CE 4.49Å; L268-E344 HydrophobicContact CD1-CB 3.62Å; L268-E344 HydrophobicContact CD1-CG 4.09Å; L268-F345 HydrophobicContact CD1-CE2 3.9Å; L268-F345 HydrophobicContact CD1-CZ 4.48Å; L268-F345 HydrophobicContact CD2-CE2 4.16Å; L268-F345 HydrophobicContact CD2-CZ 4.16Å
269	V	95	Very high	93.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-99.8	129	-179	-172.2	0	0	0	0	109.6	E261 I263 H272 Y274 W298 V301	E261-V269 HydrophobicContact CB-CG1 4.22Å; I263-V269 HydrophobicContact CG1-CG2 4.33Å; V269-H272 HydrophobicContact CB-CB 3.92Å; V269-H272 HydrophobicContact CG1-CB 3.58Å; V269-Y274 HydrophobicContact CB-CE2 4.35Å; V269-Y274 WeakPolarHBondContact CB-OH 3.48Å; V269-Y274 WeakPolarHBondContact CG2-OH 3.21Å; V269-Y274 PolarHBondContact N-OH 3.15Å; V269-W298 HydrophobicContact CG1-CH2 3.75Å; V269-W298 HydrophobicContact CG1-CZ2 4.05Å; V269-W298 HydrophobicContact CG1-CZ3 4.38Å; V269-W298 HydrophobicContact CG2-CE3 4.19Å; V269-W298 HydrophobicContact CG2-CH2 3.9Å; V269-W298 HydrophobicContact CG2-CZ3 3.66Å; V269-V301 HydrophobicContact CG2-CG1 4.37Å
270	K	94.2	Very high	93.7	Very high	59 Å²	59	42.2 Å²	42.2	26%	0.257	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	153.1	177.6	-62.2	179.8	177	176.4	0	112.3	I252 I254 D259 E261 A262 T264 H272	I252-K270 HydrophobicContact CG2-CG 4.06Å; I254-K270 HydrophobicContact CG2-CB 3.86Å; D259-K270 HydrophobicContact CB-CD 4.44Å; D259-K270 IonicContact OD2-NZ 3.92Å; D259-K270 PolarHBondContact OD2-NZ 3.09Å; E261-K270 WeakPolarHBondContact CA-O 3.43Å; E261-K270 PolarHBondContact N-O 2.91Å; A262-K270 PolarHBondContact O-N 3.24Å; T264-K270 HydrophobicContact CG2-CD 4.5Å; T264-K270 HydrophobicContact CG2-CG 4.03Å; K270-H272 PolarHBondContact O-N 3.4Å
271	G	92.3	Very high	94.1	Very high	30 Å²	30	40.7 Å²	40.7	31%	0.309	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	26.2	178.6	0	0	0	0	0	112.6	I252	I252-G271 PolarHBondContact O-N 2.86Å
272	H	93.1	Very high	94.4	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.014	19%	0.193	C	C	.	.			trans	-131	144	-170.4	-174.9	66.8	0	0	0	109.7	Q109 C115 S251 V269 K270 Y274 N296 P297 W298	Q109-H272 PolarHBondContact OE1-CE1 2.97Å; C115-H272 WeakPolarHBondContact CB-CE1 3.45Å; C115-H272 WeakPolarHBondContact CB-ND1 3.28Å; C115-H272 PolarHBondContact SG-ND1 3.25Å; C115-H272 VanDerWaalsContact SG-ND1 3.36Å; S251-H272 WeakPolarHBondContact CB-O 3.46Å; V269-H272 HydrophobicContact CB-CB 3.92Å; V269-H272 HydrophobicContact CG1-CB 3.58Å; K270-H272 PolarHBondContact O-N 3.4Å; H272-Y274 HydrophobicContact CB-CE2 4.44Å; H272-Y274 AromaticContact CD2-CE2 3.64Å; H272-Y274 AromaticContact CD2-CZ 3.98Å; H272-N296 PolarHBondContact NE2-OD1 3.25Å; H272-P297 WeakPolarHBondContact NE2-CD 3.25Å; H272-W298 AromaticContact CE1-CD1 3.54Å; H272-W298 AromaticContact CE1-CE2 3.76Å; H272-W298 AromaticContact CE1-NE1 3.18Å; H272-W298 PolarHBondContact CE1-NE1 2.93Å; H272-W298 AromaticContact ND1-NE1 3.93Å; H272-W298 AromaticContact NE2-CD1 3.87Å; H272-W298 AromaticContact NE2-NE1 3.81Å
273	A	95.6	Very high	94.6	Very high	6 Å²	6	39.3 Å²	39.3	5%	0.05	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133.9	-179.8	0	0	0	0	0	111.1	W116 A119 T210 P297	W116-A273 HydrophobicContact CB-CB 4.26Å; A119-A273 HydrophobicContact CB-CB 3.77Å; T210-A273 VanDerWaalsContact OG1-CB 3.27Å; T210-A273 WeakPolarHBondContact OG1-CB 3.5Å; A273-P297 WeakPolarHBondContact O-CD 3.08Å; A273-P297 VanDerWaalsContact O-CG 3.23Å; A273-P297 WeakPolarHBondContact O-CG 3.29Å
274	Y	97	Very high	94.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.4	171.5	-73.6	-100.9	0	0	0	109.7	G249 C250 V269 H272 R295 N296 F334 F345	G249-Y274 CarbonylContact C-O 3.54Å; G249-Y274 WeakPolarHBondContact CA-O 3.47Å; C250-Y274 PolarHBondContact N-O 2.93Å; C250-Y274 PolarHBondContact O-N 3.18Å; V269-Y274 HydrophobicContact CB-CE2 4.35Å; V269-Y274 WeakPolarHBondContact CB-OH 3.48Å; V269-Y274 WeakPolarHBondContact CG2-OH 3.21Å; V269-Y274 PolarHBondContact N-OH 3.15Å; H272-Y274 HydrophobicContact CB-CE2 4.44Å; H272-Y274 AromaticContact CD2-CE2 3.64Å; H272-Y274 AromaticContact CD2-CZ 3.98Å; Y274-R295 WeakPolarHBondContact CA-O 3.46Å; Y274-N296 HydrophobicContact CD1-CB 4.09Å; Y274-N296 HydrophobicContact CE1-CB 3.6Å; Y274-F334 HydrophobicContact CD1-CE1 4.39Å; Y274-F334 HydrophobicContact CD1-CZ 4.35Å; Y274-F334 AromaticContact CE1-CE1 3.99Å; Y274-F334 HydrophobicContact CE1-CE1 3.99Å; Y274-F334 HydrophobicContact CE1-CZ 4.04Å; Y274-F345 AromaticContact CD2-CE1 3.82Å; Y274-F345 HydrophobicContact CD2-CE1 3.82Å; Y274-F345 HydrophobicContact CD2-CZ 4.3Å; Y274-F345 HydrophobicContact CE2-CE1 4.32Å; Y274-F345 HydrophobicContact CG-CE1 4.1Å; Y274-F345 HydrophobicContact CG-CZ 4.4Å
275	S	96.3	Very high	94.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	139.9	168.2	-53.7	0	0	0	0	109.5	A119 S123 M294 R295	A119-S275 WeakPolarHBondContact CA-OG 3.42Å; A119-S275 PolarHBondContact O-OG 3.47Å; S123-S275 VanDerWaalsContact OG-CB 3.27Å; S123-S275 WeakPolarHBondContact OG-CB 3.43Å; S123-S275 PolarHBondContact OG-OG 3Å; S275-M294 CarbonylContact O-C 3.29Å; S275-M294 WeakPolarHBondContact O-CA 3.43Å; S275-R295 PolarHBondContact N-O 3.46Å; S275-R295 PolarHBondContact O-N 2.99Å
276	V	96	Very high	94.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.4	165.7	175.6	0	0	0	0	107.7	L248 C250 I292 M294 L348	L248-V276 HydrophobicContact CB-CB 3.68Å; L248-V276 HydrophobicContact CB-CG1 4.3Å; L248-V276 HydrophobicContact CB-CG2 4.35Å; L248-V276 HydrophobicContact CD2-CB 4.4Å; L248-V276 HydrophobicContact CD2-CG1 4.15Å; L248-V276 PolarHBondContact O-N 3.49Å; C250-V276 HydrophobicContact CB-CG2 4.17Å; V276-I292 HydrophobicContact CG1-CD1 3.81Å; V276-I292 HydrophobicContact CG1-CG1 3.82Å; V276-I292 HydrophobicContact CG2-CD1 4.3Å; V276-M294 HydrophobicContact CG2-CG 4.27Å; V276-L348 HydrophobicContact CG2-CD1 3.96Å
277	T	93.7	Very high	94.3	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.043	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-0.7	-168.4	67.6	0	0	0	0	113.9	L126 R293 R295 E333	L126-T277 HydrophobicContact CD1-CG2 4.15Å; T277-R293 PolarHBondContact N-O 2.79Å; T277-R293 PolarHBondContact O-NH2 3.19Å; T277-R293 WeakPolarHBondContact OG1-CG 3.48Å; T277-R293 PolarHBondContact OG1-NE 3.31Å; T277-R295 HydrophobicContact CG2-CB 3.86Å; T277-E333 VanDerWaalsContact CB-OE1 3.31Å; T277-E333 WeakPolarHBondContact CB-OE1 3.35Å; T277-E333 PolarHBondContact OG1-OE1 3.16Å
278	G	93.4	Very high	94.2	Very high	10 Å²	10	44.2 Å²	44.2	10%	0.103	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	158.6	179	0	0	0	0	0	113.1	R293	G278-R293 PolarHBondContact N-O 3.47Å; G278-R293 PolarHBondContact O-N 3.33Å
279	A	94.8	Very high	94.2	Very high	16 Å²	16	45.5 Å²	45.5	13%	0.132	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	135.9	168.7	0	0	0	0	0	108.5	Y235 I238 L239 L242 L291	Y235-A279 HydrophobicContact CE2-CB 4.18Å; I238-A279 HydrophobicContact CG2-CB 3.94Å; L239-A279 HydrophobicContact CD2-CB 3.75Å; L239-A279 WeakPolarHBondContact CD2-O 3.4Å; L239-A279 HydrophobicContact CG-CB 4.32Å; L242-A279 HydrophobicContact CD1-CB 3.79Å; A279-L291 WeakPolarHBondContact CA-O 3.28Å
280	K	94.4	Very high	94.3	Very high	98 Å²	98	47.9 Å²	47.9	43%	0.426	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	137.7	-175.5	-168.1	70.1	177.6	-173.5	0	110.9	Y235 V282 L291 L325 W335	Y235-K280 PolarHBondContact OH-N 3.14Å; Y235-K280 PolarHBondContact OH-O 3.06Å; Y235-K280 VanDerWaalsContact OH-O 3.07Å; K280-V282 HydrophobicContact CG-CG1 4.39Å; K280-L291 PolarHBondContact N-O 2.73Å; K280-L291 WeakPolarHBondContact O-CA 3.49Å; K280-L291 WeakPolarHBondContact O-CB 3.06Å; K280-L291 PolarHBondContact O-N 2.86Å; K280-L325 HydrophobicContact CB-CD2 4.33Å; K280-L325 HydrophobicContact CG-CD1 4.05Å; K280-L325 HydrophobicContact CG-CD2 4.06Å; K280-W335 HydrophobicContact CB-CH2 3.86Å; K280-W335 HydrophobicContact CB-CZ3 4.02Å
281	Q	94.6	Very high	94.5	Very high	80 Å²	80	45.1 Å²	45.1	37%	0.374	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132	170.2	-57.3	-172.9	-60.4	0	0	109.1	Y235 M288 V289 N290	Y235-Q281 HydrophobicContact CE1-CG 3.76Å; Q281-M288 HydrophobicContact CB-CG 4.15Å; Q281-M288 HydrophobicContact CB-SD 4.29Å; Q281-V289 WeakPolarHBondContact CA-O 3.35Å; Q281-N290 WeakPolarHBondContact CG-OD1 3.43Å; Q281-N290 PolarHBondContact NE2-OD1 3.32Å
282	V	94.4	Very high	94.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.4	178.4	-59	0	0	0	0	110.9	K280 Y284 V289 L291 W307 V317 L325	K280-V282 HydrophobicContact CG-CG1 4.39Å; V282-Y284 PolarHBondContact O-N 3.32Å; V282-V289 HydrophobicContact CG2-CB 4.37Å; V282-V289 PolarHBondContact N-O 2.93Å; V282-V289 PolarHBondContact O-N 3.16Å; V282-L291 HydrophobicContact CB-CD1 4.43Å; V282-L291 HydrophobicContact CG1-CD1 3.96Å; V282-L291 HydrophobicContact CG2-CD1 3.56Å; V282-L291 HydrophobicContact CG2-CG 3.89Å; V282-W307 HydrophobicContact CG2-CH2 4.17Å; V282-W307 HydrophobicContact CG2-CZ3 4.48Å; V282-V317 HydrophobicContact CB-CG1 4.49Å; V282-V317 HydrophobicContact CG2-CG2 4.36Å; V282-L325 HydrophobicContact CG1-CD1 3.54Å
283	N	94	Very high	94.9	Very high	76 Å²	76	45.7 Å²	45.7	41%	0.406	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	113	172.1	-165.2	-25.5	0	0	0	109.8	G286 M288	N283-G286 VanDerWaalsContact OD1-CA 3.22Å; N283-G286 WeakPolarHBondContact OD1-CA 3.5Å; N283-G286 PolarHBondContact OD1-N 3.04Å; N283-M288 HydrophobicContact CB-CE 3.53Å; N283-M288 HydrophobicContact CB-SD 4.34Å
284	Y	92.3	Very high	94.9	Very high	46 Å²	46	45.4 Å²	45.4	18%	0.18	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	109.4	174.5	177.1	-104.6	0	0	0	109.4	V282 G286 Q287 V289 W307 E313	V282-Y284 PolarHBondContact O-N 3.32Å; Y284-G286 VanDerWaalsContact C-N 3.26Å; Y284-G286 PolarHBondContact O-N 3.24Å; Y284-Q287 PolarHBondContact N-O 2.6Å; Y284-Q287 PolarHBondContact O-N 3.38Å; Y284-V289 HydrophobicContact CD1-CG2 4.37Å; Y284-V289 HydrophobicContact CG-CG2 4.48Å; Y284-W307 HydrophobicContact CD1-CZ2 4.36Å; Y284-W307 AromaticContact CD2-CH2 3.43Å; Y284-W307 HydrophobicContact CD2-CH2 3.43Å; Y284-W307 VanDerWaalsContact CD2-CH2 3.43Å; Y284-W307 AromaticContact CD2-CZ2 3.86Å; Y284-W307 HydrophobicContact CD2-CZ2 3.86Å; Y284-W307 HydrophobicContact CD2-CZ3 4.46Å; Y284-W307 HydrophobicContact CE2-CH2 4.13Å; Y284-W307 HydrophobicContact CE2-CZ2 4.38Å; Y284-W307 AromaticContact CG-CH2 3.75Å; Y284-W307 HydrophobicContact CG-CH2 3.75Å; Y284-W307 AromaticContact CG-CZ2 3.82Å; Y284-W307 HydrophobicContact CG-CZ2 3.82Å; Y284-E313 HydrophobicContact CE2-CB 4.02Å; Y284-E313 HydrophobicContact CE2-CG 4.34Å; Y284-E313 VanDerWaalsContact CE2-O 3.31Å; Y284-E313 WeakPolarHBondContact CE2-O 3.44Å
285	R	92.4	Very high	94.8	Very high	181 Å²	181	45.5 Å²	45.5	68%	0.683	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	39.5	178	-58.1	-177.9	175.1	-179.1	-0.2	113.7	Q287 S316	R285-Q287 VanDerWaalsContact C-N 3.29Å; R285-Q287 PolarHBondContact O-N 2.94Å; R285-S316 PolarHBondContact NE-OG 2.8Å
286	G	91	Very high	94.7	Very high	68 Å²	68	45.5 Å²	45.5	70%	0.701	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	0.5	179.3	0	0	0	0	0	114.4	N283 Y284	N283-G286 VanDerWaalsContact OD1-CA 3.22Å; N283-G286 WeakPolarHBondContact OD1-CA 3.5Å; N283-G286 PolarHBondContact OD1-N 3.04Å; Y284-G286 VanDerWaalsContact C-N 3.26Å; Y284-G286 PolarHBondContact O-N 3.24Å
287	Q	93.9	Very high	94.4	Very high	141 Å²	141	45.5 Å²	45.5	66%	0.659	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	140.6	174.3	-65.5	-174.5	-5.9	0	0	110.2	Y284 R285	Y284-Q287 PolarHBondContact N-O 2.6Å; Y284-Q287 PolarHBondContact O-N 3.38Å; R285-Q287 VanDerWaalsContact C-N 3.29Å; R285-Q287 PolarHBondContact O-N 2.94Å
288	M	94.4	Very high	94.2	Very high	106 Å²	106	47.3 Å²	47.3	52%	0.522	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	120.1	177.1	-150.3	48.7	44.6	0	0	109.8	Q281 N283	Q281-M288 HydrophobicContact CB-CG 4.15Å; Q281-M288 HydrophobicContact CB-SD 4.29Å; N283-M288 HydrophobicContact CB-CE 3.53Å; N283-M288 HydrophobicContact CB-SD 4.34Å
289	V	95.8	Very high	94	Very high	29 Å²	29	47.4 Å²	47.4	18%	0.176	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.7	-177.8	-178.9	0	0	0	0	109.1	Q281 V282 Y284 L291 W307	Q281-V289 WeakPolarHBondContact CA-O 3.35Å; V282-V289 HydrophobicContact CG2-CB 4.37Å; V282-V289 PolarHBondContact N-O 2.93Å; V282-V289 PolarHBondContact O-N 3.16Å; Y284-V289 HydrophobicContact CD1-CG2 4.37Å; Y284-V289 HydrophobicContact CG-CG2 4.48Å; V289-L291 HydrophobicContact CG1-CD2 3.81Å; V289-W307 HydrophobicContact CG1-CZ2 4.22Å
290	N	97.1	Very high	93.7	Very high	50 Å²	50	52 Å²	52	27%	0.267	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.8	174.3	-67.6	-11.3	0	0	0	109.1	Y235 Q281 F338	Y235-N290 HydrophobicContact CD1-CB 4.19Å; Y235-N290 HydrophobicContact CD2-CB 4Å; Y235-N290 HydrophobicContact CE1-CB 3.81Å; Y235-N290 VanDerWaalsContact CE1-CG 3.44Å; Y235-N290 HydrophobicContact CE2-CB 3.62Å; Y235-N290 HydrophobicContact CG-CB 4.26Å; Q281-N290 WeakPolarHBondContact CG-OD1 3.43Å; Q281-N290 PolarHBondContact NE2-OD1 3.32Å; N290-F338 HydrophobicContact CB-CB 3.79Å; N290-F338 WeakPolarHBondContact O-CB 3.49Å; N290-F338 PolarHBondContact O-N 2.82Å
291	L	97.4	Very high	93.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	147.9	175.5	-56.3	-175.4	0	0	0	110.8	Y235 A279 K280 V282 V289 W307 W314 W335 M336	Y235-L291 PolarHBondContact OH-O 2.77Å; A279-L291 WeakPolarHBondContact CA-O 3.28Å; K280-L291 PolarHBondContact N-O 2.73Å; K280-L291 WeakPolarHBondContact O-CA 3.49Å; K280-L291 WeakPolarHBondContact O-CB 3.06Å; K280-L291 PolarHBondContact O-N 2.86Å; V282-L291 HydrophobicContact CB-CD1 4.43Å; V282-L291 HydrophobicContact CG1-CD1 3.96Å; V282-L291 HydrophobicContact CG2-CD1 3.56Å; V282-L291 HydrophobicContact CG2-CG 3.89Å; V289-L291 HydrophobicContact CG1-CD2 3.81Å; L291-W307 HydrophobicContact CD1-CD2 4.16Å; L291-W307 HydrophobicContact CD1-CE3 4Å; L291-W307 HydrophobicContact CD1-CZ3 4.35Å; L291-W307 HydrophobicContact CD2-CB 4.43Å; L291-W307 HydrophobicContact CD2-CD2 3.68Å; L291-W307 HydrophobicContact CD2-CE3 4.35Å; L291-W307 HydrophobicContact CD2-CG 3.69Å; L291-W307 HydrophobicContact CD2-CZ2 4.34Å; L291-W314 HydrophobicContact CD1-CH2 4.05Å; L291-W314 HydrophobicContact CD1-CZ3 4.46Å; L291-W335 HydrophobicContact CB-CE3 3.61Å; L291-W335 HydrophobicContact CB-CZ3 3.94Å; L291-W335 HydrophobicContact CD1-CE3 4.47Å; L291-M336 WeakPolarHBondContact CA-O 3.34Å
292	I	97.6	Very high	93.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.8	173.5	-168.9	171.4	0	0	0	108.7	I238 V276 W335 M336 F341	I238-I292 HydrophobicContact CD1-CD1 4.22Å; V276-I292 HydrophobicContact CG1-CD1 3.81Å; V276-I292 HydrophobicContact CG1-CG1 3.82Å; V276-I292 HydrophobicContact CG2-CD1 4.3Å; I292-W335 VanDerWaalsContact C-CE3 3.5Å; I292-W335 WeakPolarHBondContact O-CA 3.43Å; I292-M336 HydrophobicContact CG2-CG 3.79Å; I292-M336 PolarHBondContact N-O 3.44Å; I292-M336 PolarHBondContact O-N 3.31Å; I292-F341 HydrophobicContact CD1-CD1 4.06Å; I292-F341 HydrophobicContact CD1-CD2 4.26Å; I292-F341 HydrophobicContact CD1-CE1 4.07Å; I292-F341 HydrophobicContact CD1-CE2 4.28Å; I292-F341 HydrophobicContact CD1-CG 4.15Å; I292-F341 HydrophobicContact CD1-CZ 4.18Å; I292-F341 HydrophobicContact CG2-CB 3.69Å; I292-F341 HydrophobicContact CG2-CD2 4.37Å; I292-F341 HydrophobicContact CG2-CG 3.99Å
293	R	96.5	Very high	93.6	Very high	46 Å²	46	45.6 Å²	45.6	17%	0.174	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.9	177	-164.9	173.5	60.7	-174.9	-5.8	109.1	T277 G278 E333 F334 W335	T277-R293 PolarHBondContact N-O 2.79Å; T277-R293 PolarHBondContact O-NH2 3.19Å; T277-R293 WeakPolarHBondContact OG1-CG 3.48Å; T277-R293 PolarHBondContact OG1-NE 3.31Å; G278-R293 PolarHBondContact N-O 3.47Å; G278-R293 PolarHBondContact O-N 3.33Å; R293-E333 VanDerWaalsContact CD-CD 3.41Å; R293-E333 WeakPolarHBondContact CD-OE2 3.38Å; R293-E333 HydrophobicContact CG-CG 3.66Å; R293-E333 IonicContact CZ-OE1 3.5Å; R293-E333 IonicContact CZ-OE2 3.48Å; R293-E333 IonicContact NE-OE1 3.3Å; R293-E333 PolarHBondContact NE-OE1 3.05Å; R293-E333 IonicContact NE-OE2 3.87Å; R293-E333 PolarHBondContact NE-OE2 3.41Å; R293-E333 IonicContact NH1-OE2 2.72Å; R293-E333 PolarHBondContact NH1-OE2 3.19Å; R293-F334 WeakPolarHBondContact CA-O 3.4Å; R293-W335 HydrophobicContact CB-CD2 3.74Å; R293-W335 HydrophobicContact CB-CE3 3.68Å; R293-W335 HydrophobicContact CB-CG 4.46Å; R293-W335 HydrophobicContact CB-CH2 3.85Å; R293-W335 HydrophobicContact CB-CZ2 3.88Å; R293-W335 HydrophobicContact CB-CZ3 3.75Å; R293-W335 HydrophobicContact CG-CD2 4.02Å; R293-W335 HydrophobicContact CG-CE3 4.47Å; R293-W335 HydrophobicContact CG-CG 4.35Å; R293-W335 HydrophobicContact CG-CZ2 4.19Å
294	M	95.2	Very high	93.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	157.9	177.7	-60.8	175.4	-70.5	0	0	110	S275 V276 E333 F334 M336 F341 F345	S275-M294 CarbonylContact O-C 3.29Å; S275-M294 WeakPolarHBondContact O-CA 3.43Å; V276-M294 HydrophobicContact CG2-CG 4.27Å; M294-E333 CarbonylContact O-C 3.59Å; M294-E333 VanDerWaalsContact O-CA 3.31Å; M294-E333 WeakPolarHBondContact O-CA 3.38Å; M294-F334 HydrophobicContact CB-CE2 4.41Å; M294-F334 HydrophobicContact CB-CZ 4.33Å; M294-F334 HydrophobicContact CE-CD2 4.33Å; M294-F334 HydrophobicContact CE-CE2 3.43Å; M294-F334 VanDerWaalsContact CE-CE2 3.43Å; M294-F334 HydrophobicContact CE-CZ 3.98Å; M294-F334 PolarHBondContact N-O 3.03Å; M294-F334 PolarHBondContact O-N 3.08Å; M294-M336 HydrophobicContact CE-CE 4.44Å; M294-M336 HydrophobicContact CE-CG 3.66Å; M294-M336 HydrophobicContact CE-SD 3.22Å; M294-M336 WeakPolarHBondContact CE-SD 3.49Å; M294-F341 HydrophobicContact CE-CD2 4.32Å; M294-F341 HydrophobicContact SD-CD2 3.69Å; M294-F341 HydrophobicContact SD-CE2 3.91Å; M294-F345 HydrophobicContact CE-CD2 4.37Å; M294-F345 HydrophobicContact CE-CE2 3.54Å; M294-F345 HydrophobicContact CE-CZ 3.74Å; M294-F345 HydrophobicContact SD-CD2 4.27Å; M294-F345 HydrophobicContact SD-CE1 3.97Å; M294-F345 HydrophobicContact SD-CE2 3.7Å; M294-F345 HydrophobicContact SD-CZ 3.52Å; M294-F345 VanDerWaalsContact SD-CZ 3.52Å
295	R	95.2	Very high	93.8	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130	175.5	-174.7	176.4	-178.7	-85.7	-7.6	111.5	R104 I107 Y274 S275 T277 G332 E333	R104-R295 PolarHBondContact O-NE 2.84Å; R104-R295 PolarHBondContact O-NH1 3.45Å; R104-R295 PolarHBondContact O-NH2 2.88Å; I107-R295 PolarHBondContact O-NH1 3.4Å; I107-R295 PolarHBondContact O-NH2 2.94Å; Y274-R295 WeakPolarHBondContact CA-O 3.46Å; S275-R295 PolarHBondContact N-O 3.46Å; S275-R295 PolarHBondContact O-N 2.99Å; T277-R295 HydrophobicContact CG2-CB 3.86Å; R295-G332 CarbonylContact C-O 3.28Å; R295-G332 WeakPolarHBondContact CA-O 3.35Å; R295-E333 HydrophobicContact CB-CB 4.25Å; R295-E333 HydrophobicContact CB-CG 4.49Å; R295-E333 HydrophobicContact CG-CB 4.19Å
296	N	94.9	Very high	93.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.21	C	C	.	.			trans	-77	120.7	166.5	-171.1	-9.6	0	0	0	109.6	H272 Y274 W298 G299 E300 V301 G332	H272-N296 PolarHBondContact NE2-OD1 3.25Å; Y274-N296 HydrophobicContact CD1-CB 4.09Å; Y274-N296 HydrophobicContact CE1-CB 3.6Å; N296-W298 PolarHBondContact O-N 3.27Å; N296-W298 VanDerWaalsContact O-N 3.11Å; N296-W298 PolarHBondContact OD1-N 3.32Å; N296-W298 VanDerWaalsContact OD1-N 3.1Å; N296-G299 PolarHBondContact O-N 3.25Å; N296-E300 PolarHBondContact ND2-O 3.1Å; N296-V301 PolarHBondContact ND2-O 3.18Å; N296-G332 PolarHBondContact N-O 3.05Å
297	P	90.6	Very high	94.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-7	177.6	28.4	-37.2	0	0	0	114.5	C108 Q109 C115 L118 A119 H272 A273 G299	C108-P297 WeakPolarHBondContact CA-O 3.49Å; Q109-P297 PolarHBondContact N-O 2.88Å; C115-P297 HydrophobicContact CB-CG 4.26Å; L118-P297 HydrophobicContact CB-CB 3.75Å; A119-P297 HydrophobicContact CB-CG 4.29Å; H272-P297 WeakPolarHBondContact NE2-CD 3.25Å; A273-P297 WeakPolarHBondContact O-CD 3.08Å; A273-P297 VanDerWaalsContact O-CG 3.23Å; A273-P297 WeakPolarHBondContact O-CG 3.29Å; P297-G299 PolarHBondContact O-N 3.06Å
298	W	89.3	Confident	94.2	Very high	45 Å²	45	28 Å²	28	17%	0.17	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.1	167.1	-68.1	-3.8	0	0	0	112.4	Q109 E261 I263 V269 H272 N296 E300 V301	Q109-W298 VanDerWaalsContact OE1-NE1 3.08Å; E261-W298 HydrophobicContact CB-CH2 4.47Å; E261-W298 HydrophobicContact CB-CZ2 4.21Å; E261-W298 HydrophobicContact CG-CZ2 4.29Å; I263-W298 HydrophobicContact CD1-CZ3 4.22Å; I263-W298 HydrophobicContact CG1-CZ3 4.45Å; V269-W298 HydrophobicContact CG1-CH2 3.75Å; V269-W298 HydrophobicContact CG1-CZ2 4.05Å; V269-W298 HydrophobicContact CG1-CZ3 4.38Å; V269-W298 HydrophobicContact CG2-CE3 4.19Å; V269-W298 HydrophobicContact CG2-CH2 3.9Å; V269-W298 HydrophobicContact CG2-CZ3 3.66Å; H272-W298 AromaticContact CE1-CD1 3.54Å; H272-W298 AromaticContact CE1-CE2 3.76Å; H272-W298 AromaticContact CE1-NE1 3.18Å; H272-W298 PolarHBondContact CE1-NE1 2.93Å; H272-W298 AromaticContact ND1-NE1 3.93Å; H272-W298 AromaticContact NE2-CD1 3.87Å; H272-W298 AromaticContact NE2-NE1 3.81Å; N296-W298 PolarHBondContact O-N 3.27Å; N296-W298 VanDerWaalsContact O-N 3.11Å; N296-W298 PolarHBondContact OD1-N 3.32Å; N296-W298 VanDerWaalsContact OD1-N 3.1Å; W298-E300 HydrophobicContact CB-CG 4.07Å; W298-V301 HydrophobicContact CE3-CB 4.24Å; W298-V301 HydrophobicContact CE3-CG2 4.04Å; W298-V301 HydrophobicContact CZ3-CG2 4.3Å
299	G	87.6	Confident	94	Very high	12 Å²	12	23.8 Å²	23.8	12%	0.124	13%	0.131	C	C	.	.	S	Bend	trans	75	13	-172.2	0	0	0	0	0	113.4	N296 P297 D331	N296-G299 PolarHBondContact O-N 3.25Å; P297-G299 PolarHBondContact O-N 3.06Å; G299-D331 VanDerWaalsContact C-C 3.44Å; G299-D331 CarbonylContact C-O 3.46Å; G299-D331 WeakPolarHBondContact CA-O 3.4Å; G299-D331 CarbonylContact O-C 3.45Å; G299-D331 VanDerWaalsContact O-C 3.24Å; G299-D331 WeakPolarHBondContact O-CA 3.42Å
300	E	89.7	Confident	93.8	Very high	111 Å²	111	27.6 Å²	27.6	52%	0.519	16%	0.159	S	C	.	.			trans	-157.2	177.2	179	54.7	174	-160.6	0	0	109.4	N296 W298 E330	N296-E300 PolarHBondContact ND2-O 3.1Å; W298-E300 HydrophobicContact CB-CG 4.07Å; E300-E330 HydrophobicContact CB-CG 4.35Å
301	V	91.7	Very high	93.6	Very high	25 Å²	25	25.8 Å²	25.8	15%	0.152	15%	0.151	C	C	.	.			trans	66.4	85.2	178.8	-173.8	0	0	0	0	111.4	I263 K267 V269 N296 W298 E330	I263-V301 HydrophobicContact CD1-CG1 4.36Å; I263-V301 HydrophobicContact CG2-CG1 4.32Å; K267-V301 HydrophobicContact CB-CG1 4.13Å; K267-V301 WeakPolarHBondContact O-CG1 3.37Å; V269-V301 HydrophobicContact CG2-CG1 4.37Å; N296-V301 PolarHBondContact ND2-O 3.18Å; W298-V301 HydrophobicContact CE3-CB 4.24Å; W298-V301 HydrophobicContact CE3-CG2 4.04Å; W298-V301 HydrophobicContact CZ3-CG2 4.3Å; V301-E330 WeakPolarHBondContact CA-OE1 3.5Å; V301-E330 PolarHBondContact N-OE1 2.89Å
302	E	93.4	Very high	93.5	Very high	14 Å²	14	29.6 Å²	29.6	7%	0.065	18%	0.177	C	C	.	.			trans	-105.4	156.2	-176.6	-67.6	171.2	-162.8	0	0	114.9	K267 T304 E330 D331 G332 F334	K267-E302 WeakPolarHBondContact CB-O 3.43Å; K267-E302 WeakPolarHBondContact CD-O 3.43Å; E302-T304 PolarHBondContact O-N 3.23Å; E302-E330 PolarHBondContact N-OE1 3.35Å; E302-E330 WeakPolarHBondContact OE1-CA 3.34Å; E302-D331 PolarHBondContact OE1-N 3.46Å; E302-G332 PolarHBondContact OE1-N 3.33Å; E302-F334 HydrophobicContact CB-CB 4.39Å; E302-F334 HydrophobicContact CB-CD1 4.05Å; E302-F334 HydrophobicContact CG-CD1 4.06Å
303	W	95.5	Very high	93.3	Very high	6 Å²	6	31.6 Å²	31.6	2%	0.023	19%	0.187	C	C	.	.			trans	-51.9	132.2	173.9	169.5	-113.2	0	0	0	113	K266 L268 G305 A306 S308 F334 M336 D340 E344	K266-W303 HydrophobicContact CB-CE3 3.74Å; K266-W303 HydrophobicContact CB-CH2 4.34Å; K266-W303 HydrophobicContact CB-CZ3 3.49Å; K266-W303 VanDerWaalsContact CB-CZ3 3.49Å; K266-W303 HydrophobicContact CD-CE3 4.2Å; K266-W303 HydrophobicContact CD-CH2 3.26Å; K266-W303 HydrophobicContact CD-CZ2 4.25Å; K266-W303 HydrophobicContact CD-CZ3 3.22Å; K266-W303 HydrophobicContact CG-CH2 4.43Å; K266-W303 HydrophobicContact CG-CZ3 4.01Å; L268-W303 HydrophobicContact CD1-CE3 3.79Å; L268-W303 HydrophobicContact CD1-CZ3 3.62Å; L268-W303 HydrophobicContact CD2-CB 4.34Å; L268-W303 HydrophobicContact CD2-CE3 3.86Å; L268-W303 HydrophobicContact CG-CE3 3.71Å; L268-W303 HydrophobicContact CG-CZ3 4.01Å; W303-G305 VanDerWaalsContact NE1-C 3.26Å; W303-A306 PolarHBondContact NE1-O 3.5Å; W303-S308 WeakPolarHBondContact O-CB 3.47Å; W303-F334 HydrophobicContact CB-CB 4.31Å; W303-F334 HydrophobicContact CB-CD1 4.23Å; W303-F334 HydrophobicContact CB-CD2 3.2Å; W303-F334 HydrophobicContact CB-CE1 4.37Å; W303-F334 HydrophobicContact CB-CE2 3.36Å; W303-F334 HydrophobicContact CB-CG 3.66Å; W303-F334 HydrophobicContact CB-CZ 3.97Å; W303-F334 AromaticContact CG-CD2 3.99Å; W303-F334 HydrophobicContact CG-CD2 3.99Å; W303-F334 HydrophobicContact CG-CE2 4.14Å; W303-M336 HydrophobicContact CD2-CE 3.68Å; W303-M336 HydrophobicContact CE3-CE 3.74Å; W303-M336 HydrophobicContact CG-CE 4.39Å; W303-M336 HydrophobicContact CH2-CE 3.52Å; W303-M336 HydrophobicContact CZ2-CE 3.52Å; W303-M336 HydrophobicContact CZ3-CE 3.64Å; W303-D340 HydrophobicContact CH2-CB 4.42Å; W303-D340 HydrophobicContact CZ2-CB 4.22Å; W303-E344 HydrophobicContact CH2-CG 3.96Å; W303-E344 HydrophobicContact CZ3-CG 4.06Å
304	T	95.3	Very high	93.2	Very high	72 Å²	72	29.4 Å²	29.4	44%	0.442	18%	0.178	S	C	.	.			trans	-106.5	7.1	179.8	62.5	0	0	0	0	114.3	K266 K267 E302	K266-T304 WeakPolarHBondContact CA-OG1 3.49Å; K266-T304 PolarHBondContact O-N 2.82Å; K267-T304 HydrophobicContact CB-CG2 4.15Å; K267-T304 HydrophobicContact CD-CG2 3.57Å; K267-T304 HydrophobicContact CG-CG2 3.73Å; E302-T304 PolarHBondContact O-N 3.23Å
305	G	95.2	Very high	93.1	Very high	19 Å²	19	34.4 Å²	34.4	20%	0.196	21%	0.205	C	C	.	.	S	Bend	trans	-86.7	-160.5	179.1	0	0	0	0	0	113.3	W303 S308 S311	W303-G305 VanDerWaalsContact NE1-C 3.26Å; G305-S308 VanDerWaalsContact O-CB 3.24Å; G305-S308 WeakPolarHBondContact O-CB 3.4Å; G305-S308 PolarHBondContact O-N 2.97Å; G305-S308 PolarHBondContact O-OG 2.82Å; G305-S311 PolarHBondContact O-OG 2.71Å; G305-S311 VanDerWaalsContact O-OG 3.1Å
306	A	95.1	Very high	93	Very high	27 Å²	27	36.4 Å²	36.4	22%	0.223	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	139.2	176.2	0	0	0	0	0	111.1	W303 S308 S311 E313	W303-A306 PolarHBondContact NE1-O 3.5Å; A306-S308 PolarHBondContact O-N 3.2Å; A306-S311 WeakPolarHBondContact CA-OG 3.39Å; A306-E313 HydrophobicContact CB-CG 4.43Å; A306-E313 VanDerWaalsContact CB-OE1 3.26Å; A306-E313 WeakPolarHBondContact CB-OE1 3.35Å
307	W	95.4	Very high	92.9	Very high	11 Å²	11	36.7 Å²	36.7	4%	0.042	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	3	-177.2	-51.1	101.3	0	0	0	116.9	V282 Y284 V289 L291 S311 E313 W314 V317 W335	V282-W307 HydrophobicContact CG2-CH2 4.17Å; V282-W307 HydrophobicContact CG2-CZ3 4.48Å; Y284-W307 HydrophobicContact CD1-CZ2 4.36Å; Y284-W307 AromaticContact CD2-CH2 3.43Å; Y284-W307 HydrophobicContact CD2-CH2 3.43Å; Y284-W307 VanDerWaalsContact CD2-CH2 3.43Å; Y284-W307 AromaticContact CD2-CZ2 3.86Å; Y284-W307 HydrophobicContact CD2-CZ2 3.86Å; Y284-W307 HydrophobicContact CD2-CZ3 4.46Å; Y284-W307 HydrophobicContact CE2-CH2 4.13Å; Y284-W307 HydrophobicContact CE2-CZ2 4.38Å; Y284-W307 AromaticContact CG-CH2 3.75Å; Y284-W307 HydrophobicContact CG-CH2 3.75Å; Y284-W307 AromaticContact CG-CZ2 3.82Å; Y284-W307 HydrophobicContact CG-CZ2 3.82Å; V289-W307 HydrophobicContact CG1-CZ2 4.22Å; L291-W307 HydrophobicContact CD1-CD2 4.16Å; L291-W307 HydrophobicContact CD1-CE3 4Å; L291-W307 HydrophobicContact CD1-CZ3 4.35Å; L291-W307 HydrophobicContact CD2-CB 4.43Å; L291-W307 HydrophobicContact CD2-CD2 3.68Å; L291-W307 HydrophobicContact CD2-CE3 4.35Å; L291-W307 HydrophobicContact CD2-CG 3.69Å; L291-W307 HydrophobicContact CD2-CZ2 4.34Å; W307-S311 PolarHBondContact N-OG 3.14Å; W307-E313 HydrophobicContact CD2-CB 4.02Å; W307-E313 HydrophobicContact CE3-CB 3.91Å; W307-E313 HydrophobicContact CH2-CB 4.03Å; W307-E313 HydrophobicContact CZ2-CB 4.12Å; W307-E313 HydrophobicContact CZ3-CB 3.91Å; W307-W314 AromaticContact CE3-CD2 3.96Å; W307-W314 HydrophobicContact CE3-CD2 3.96Å; W307-W314 AromaticContact CE3-CE2 3.98Å; W307-W314 HydrophobicContact CE3-CE3 4.15Å; W307-W314 HydrophobicContact CE3-CG 4.48Å; W307-W314 HydrophobicContact CE3-CH2 4.39Å; W307-W314 HydrophobicContact CE3-CZ2 4.21Å; W307-W314 HydrophobicContact CE3-CZ3 4.35Å; W307-W314 HydrophobicContact CZ3-CD2 4.2Å; W307-W314 HydrophobicContact CZ3-CE3 4.06Å; W307-W314 HydrophobicContact CZ3-CZ3 4.39Å; W307-W314 PolarHBondContact O-NE1 2.97Å; W307-V317 HydrophobicContact CH2-CG2 3.72Å; W307-V317 HydrophobicContact CZ3-CG2 3.53Å; W307-W335 CarbonylContact C-O 3.59Å; W307-W335 VanDerWaalsContact C-O 3.29Å; W307-W335 HydrophobicContact CB-CB 4.28Å
308	S	94.6	Very high	92.9	Very high	13 Å²	13	40.9 Å²	40.9	9%	0.091	24%	0.244	C	C	.	.	S	Bend	trans	-52.5	162.4	164.9	54.1	0	0	0	0	112.6	W303 G305 A306 S310 S311 W314	W303-S308 WeakPolarHBondContact O-CB 3.47Å; G305-S308 VanDerWaalsContact O-CB 3.24Å; G305-S308 WeakPolarHBondContact O-CB 3.4Å; G305-S308 PolarHBondContact O-N 2.97Å; G305-S308 PolarHBondContact O-OG 2.82Å; A306-S308 PolarHBondContact O-N 3.2Å; S308-S310 PolarHBondContact O-N 3.24Å; S308-S311 PolarHBondContact N-OG 2.81Å; S308-S311 VanDerWaalsContact O-CB 3.24Å; S308-S311 WeakPolarHBondContact O-CB 3.5Å; S308-S311 PolarHBondContact O-N 2.7Å; S308-S311 PolarHBondContact OG-OG 2.84Å; S308-W314 VanDerWaalsContact O-CD1 3.28Å; S308-W314 PolarHBondContact O-NE1 3.11Å
309	D	91.8	Very high	93	Very high	17 Å²	17	42.6 Å²	42.6	9%	0.091	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.4	-178.6	-79.7	24.4	0	0	0	113.8	V327 K328 M329	D309-V327 VanDerWaalsContact CG-O 3.25Å; D309-K328 VanDerWaalsContact O-CE 3.25Å; D309-K328 WeakPolarHBondContact O-CE 3.36Å; D309-K328 WeakPolarHBondContact OD2-CA 3.4Å; D309-M329 PolarHBondContact OD2-N 2.9Å; D309-M329 VanDerWaalsContact OD2-N 3.13Å
310	S	90.4	Very high	93.1	Very high	109 Å²	109	49.4 Å²	49.4	76%	0.762	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	5.8	178.9	-65	0	0	0	0	114.3	S308	S308-S310 PolarHBondContact O-N 3.24Å
311	S	93.3	Very high	93.1	Very high	13 Å²	13	46.9 Å²	46.9	9%	0.091	27%	0.272	C	S	.	.			trans	-61.8	143.3	-179.5	-104.9	0	0	0	0	113.7	G305 A306 W307 S308 E313	G305-S311 PolarHBondContact O-OG 2.71Å; G305-S311 VanDerWaalsContact O-OG 3.1Å; A306-S311 WeakPolarHBondContact CA-OG 3.39Å; W307-S311 PolarHBondContact N-OG 3.14Å; S308-S311 PolarHBondContact N-OG 2.81Å; S308-S311 VanDerWaalsContact O-CB 3.24Å; S308-S311 WeakPolarHBondContact O-CB 3.5Å; S308-S311 PolarHBondContact O-N 2.7Å; S308-S311 PolarHBondContact OG-OG 2.84Å; S311-E313 VanDerWaalsContact C-N 3.26Å; S311-E313 VanDerWaalsContact CB-OE2 3.31Å; S311-E313 WeakPolarHBondContact CB-OE2 3.29Å; S311-E313 PolarHBondContact O-N 3.34Å; S311-E313 PolarHBondContact OG-OE2 2.86Å; S311-E313 VanDerWaalsContact OG-OE2 3.11Å
312	S	94.1	Very high	93	Very high	79 Å²	79	49 Å²	49	55%	0.552	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-71.8	-21.8	174.9	69.3	0	0	0	0	113.1	W314 N315	S312-W314 PolarHBondContact O-N 2.58Å; S312-N315 WeakPolarHBondContact O-CB 3.48Å; S312-N315 PolarHBondContact O-N 2.91Å; S312-N315 PolarHBondContact O-ND2 2.83Å
313	E	94.3	Very high	92.7	Very high	42 Å²	42	56 Å²	56	20%	0.196	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-59.2	-38	-177.4	-73.4	81.2	158.4	0	0	111	Y284 A306 W307 S311 N315 S316	Y284-E313 HydrophobicContact CE2-CB 4.02Å; Y284-E313 HydrophobicContact CE2-CG 4.34Å; Y284-E313 VanDerWaalsContact CE2-O 3.31Å; Y284-E313 WeakPolarHBondContact CE2-O 3.44Å; A306-E313 HydrophobicContact CB-CG 4.43Å; A306-E313 VanDerWaalsContact CB-OE1 3.26Å; A306-E313 WeakPolarHBondContact CB-OE1 3.35Å; W307-E313 HydrophobicContact CD2-CB 4.02Å; W307-E313 HydrophobicContact CE3-CB 3.91Å; W307-E313 HydrophobicContact CH2-CB 4.03Å; W307-E313 HydrophobicContact CZ2-CB 4.12Å; W307-E313 HydrophobicContact CZ3-CB 3.91Å; S311-E313 VanDerWaalsContact C-N 3.26Å; S311-E313 VanDerWaalsContact CB-OE2 3.31Å; S311-E313 WeakPolarHBondContact CB-OE2 3.29Å; S311-E313 PolarHBondContact O-N 3.34Å; S311-E313 PolarHBondContact OG-OE2 2.86Å; S311-E313 VanDerWaalsContact OG-OE2 3.11Å; E313-N315 PolarHBondContact O-N 2.82Å; E313-N315 VanDerWaalsContact O-N 3.08Å; E313-S316 PolarHBondContact O-N 3.13Å
314	W	94.3	Very high	92.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-56.7	-23.9	173.9	-69.7	116.9	0	0	0	113.8	L291 W307 S308 S312 S316 V317 R322 L325 R326 W335	L291-W314 HydrophobicContact CD1-CH2 4.05Å; L291-W314 HydrophobicContact CD1-CZ3 4.46Å; W307-W314 AromaticContact CE3-CD2 3.96Å; W307-W314 HydrophobicContact CE3-CD2 3.96Å; W307-W314 AromaticContact CE3-CE2 3.98Å; W307-W314 HydrophobicContact CE3-CE3 4.15Å; W307-W314 HydrophobicContact CE3-CG 4.48Å; W307-W314 HydrophobicContact CE3-CH2 4.39Å; W307-W314 HydrophobicContact CE3-CZ2 4.21Å; W307-W314 HydrophobicContact CE3-CZ3 4.35Å; W307-W314 HydrophobicContact CZ3-CD2 4.2Å; W307-W314 HydrophobicContact CZ3-CE3 4.06Å; W307-W314 HydrophobicContact CZ3-CZ3 4.39Å; W307-W314 PolarHBondContact O-NE1 2.97Å; S308-W314 VanDerWaalsContact O-CD1 3.28Å; S308-W314 PolarHBondContact O-NE1 3.11Å; S312-W314 PolarHBondContact O-N 2.58Å; W314-S316 PolarHBondContact O-N 3.01Å; W314-V317 HydrophobicContact CE3-CB 4.49Å; W314-V317 HydrophobicContact CE3-CG2 4.27Å; W314-V317 PolarHBondContact O-N 3.3Å; W314-R322 HydrophobicContact CB-CG 4.28Å; W314-R322 HydrophobicContact CE3-CG 4.18Å; W314-R322 WeakPolarHBondContact O-CD 3.47Å; W314-L325 HydrophobicContact CH2-CB 4.02Å; W314-L325 HydrophobicContact CZ3-CB 4.1Å; W314-R326 VanDerWaalsContact CD1-CD 3.46Å; W314-R326 HydrophobicContact CD2-CB 4.09Å; W314-R326 HydrophobicContact CD2-CG 4.16Å; W314-R326 HydrophobicContact CE3-CB 4.24Å; W314-R326 VanDerWaalsContact CG-CD 3.48Å; W314-R326 HydrophobicContact CG-CG 4.28Å; W314-R326 HydrophobicContact CH2-CB 4.4Å; W314-R326 HydrophobicContact CZ2-CB 4.24Å; W314-R326 HydrophobicContact CZ2-CG 4.42Å; W314-R326 HydrophobicContact CZ3-CB 4.39Å; W314-W335 HydrophobicContact CH2-CB 4.41Å; W314-W335 HydrophobicContact CH2-CG 4.08Å; W314-W335 HydrophobicContact CZ2-CB 3.87Å; W314-W335 AromaticContact CZ2-CD1 3.76Å; W314-W335 AromaticContact CZ2-CG 3.87Å; W314-W335 HydrophobicContact CZ2-CG 3.87Å
315	N	93	Very high	91.9	Very high	106 Å²	106	58.9 Å²	58.9	57%	0.567	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-70.8	-14.7	178.6	-60.7	-30.4	0	0	0	113.2	S312 E313	S312-N315 WeakPolarHBondContact O-CB 3.48Å; S312-N315 PolarHBondContact O-N 2.91Å; S312-N315 PolarHBondContact O-ND2 2.83Å; E313-N315 PolarHBondContact O-N 2.82Å; E313-N315 VanDerWaalsContact O-N 3.08Å
316	S	93.1	Very high	91.2	Very high	43 Å²	43	60.2 Å²	60.2	30%	0.301	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-105.3	7.9	176.9	-54.3	0	0	0	0	113.4	R285 E313 W314	R285-S316 PolarHBondContact NE-OG 2.8Å; E313-S316 PolarHBondContact O-N 3.13Å; W314-S316 PolarHBondContact O-N 3.01Å
317	V	92.3	Very high	90.2	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.042	33%	0.328	C	S	.	.	S	Bend	trans	-93.9	150	170.1	177.8	0	0	0	0	108.7	V282 W307 W314 E321 R322	V282-V317 HydrophobicContact CB-CG1 4.49Å; V282-V317 HydrophobicContact CG2-CG2 4.36Å; W307-V317 HydrophobicContact CH2-CG2 3.72Å; W307-V317 HydrophobicContact CZ3-CG2 3.53Å; W314-V317 HydrophobicContact CE3-CB 4.49Å; W314-V317 HydrophobicContact CE3-CG2 4.27Å; W314-V317 PolarHBondContact O-N 3.3Å; V317-E321 HydrophobicContact CG1-CB 4.03Å; V317-R322 HydrophobicContact CG1-CB 4.41Å
318	D	91.2	Very high	89.4	Confident	87 Å²	87	68 Å²	68	47%	0.465	35%	0.353	S	S	.	.			trans	-50.4	133.4	174.7	-179.5	-91.6	0	0	0	111.1	Y320 E321 R322	D318-Y320 PolarHBondContact O-N 3.41Å; D318-Y320 VanDerWaalsContact OD1-CB 3.26Å; D318-Y320 WeakPolarHBondContact OD1-CB 3.34Å; D318-Y320 PolarHBondContact OD1-N 3.41Å; D318-E321 HydrophobicContact CB-CB 4.41Å; D318-E321 HydrophobicContact CB-CG 4.45Å; D318-E321 PolarHBondContact O-N 3.32Å; D318-E321 PolarHBondContact OD1-N 3.12Å; D318-R322 VanDerWaalsContact O-CB 3.28Å; D318-R322 WeakPolarHBondContact O-CB 3.43Å; D318-R322 PolarHBondContact O-N 3.23Å
319	P	91.5	Very high	88.8	Confident	81 Å²	81	72.5 Å²	72.5	53%	0.526	37%	0.374	S	S	.	.	H	α-helix	trans	-55.9	-35.3	-176.3	-28.1	35.8	0	0	0	114.5	E323	P319-E323 WeakPolarHBondContact O-CB 3.49Å; P319-E323 PolarHBondContact O-N 2.86Å
320	Y	90.8	Very high	88.3	Confident	156 Å²	156	77 Å²	77	61%	0.612	39%	0.394	S	S	*	.	H	α-helix	trans	-72.1	-48.2	-179.5	179.5	-99.3	0	0	0	111.1	D318 R322 E323 Q324	D318-Y320 PolarHBondContact O-N 3.41Å; D318-Y320 VanDerWaalsContact OD1-CB 3.26Å; D318-Y320 WeakPolarHBondContact OD1-CB 3.34Å; D318-Y320 PolarHBondContact OD1-N 3.41Å; Y320-R322 VanDerWaalsContact C-N 3.26Å; Y320-R322 PolarHBondContact O-N 2.95Å; Y320-E323 PolarHBondContact O-N 2.73Å; Y320-Q324 WeakPolarHBondContact O-CG 3.45Å; Y320-Q324 PolarHBondContact O-N 2.8Å; Y320-Q324 VanDerWaalsContact O-N 3.17Å; Y320-Q324 PolarHBondContact OH-NE2 3.5Å
321	E	88.3	Confident	88.2	Confident	57 Å²	57	72.7 Å²	72.7	27%	0.266	36%	0.363	S	S	.	.	H	α-helix	trans	-60.5	-39	173.6	-70	-163.3	141.8	0	0	111.6	V317 D318 Q324 L325	V317-E321 HydrophobicContact CG1-CB 4.03Å; D318-E321 HydrophobicContact CB-CB 4.41Å; D318-E321 HydrophobicContact CB-CG 4.45Å; D318-E321 PolarHBondContact O-N 3.32Å; D318-E321 PolarHBondContact OD1-N 3.12Å; E321-Q324 PolarHBondContact O-N 2.75Å; E321-L325 HydrophobicContact CB-CD1 4.5Å; E321-L325 WeakPolarHBondContact O-CB 3.37Å; E321-L325 VanDerWaalsContact O-CG 3.23Å; E321-L325 WeakPolarHBondContact O-CG 3.11Å; E321-L325 PolarHBondContact O-N 2.77Å
322	R	89.2	Confident	88	Confident	69 Å²	69	72.1 Å²	72.1	26%	0.26	36%	0.358	S	S	.	.	H	α-helix	trans	-62.2	-44	178.1	-176.6	-177.4	76.1	171.5	-4.5	112.3	W314 V317 D318 Y320 Q324 L325 R326	W314-R322 HydrophobicContact CB-CG 4.28Å; W314-R322 HydrophobicContact CE3-CG 4.18Å; W314-R322 WeakPolarHBondContact O-CD 3.47Å; V317-R322 HydrophobicContact CG1-CB 4.41Å; D318-R322 VanDerWaalsContact O-CB 3.28Å; D318-R322 WeakPolarHBondContact O-CB 3.43Å; D318-R322 PolarHBondContact O-N 3.23Å; Y320-R322 VanDerWaalsContact C-N 3.26Å; Y320-R322 PolarHBondContact O-N 2.95Å; R322-Q324 VanDerWaalsContact C-N 3.31Å; R322-L325 PolarHBondContact O-N 3.2Å; R322-R326 HydrophobicContact CG-CB 4.35Å; R322-R326 WeakPolarHBondContact O-CB 3.4Å; R322-R326 PolarHBondContact O-N 2.78Å
323	E	87.7	Confident	88	Confident	162 Å²	162	68.8 Å²	68.8	76%	0.757	33%	0.334	S	S	*	.	H	α-helix	trans	-67.9	-32.9	179.6	-172.5	162.6	-153.9	0	0	112.1	P319 Y320	P319-E323 WeakPolarHBondContact O-CB 3.49Å; P319-E323 PolarHBondContact O-N 2.86Å; Y320-E323 PolarHBondContact O-N 2.73Å
324	Q	87.3	Confident	88.1	Confident	117 Å²	117	66.8 Å²	66.8	55%	0.547	33%	0.325	S	S	.	.	H	α-helix	trans	-72.7	-37.6	175.1	-70	-170.4	-15.2	0	0	113.8	Y320 E321 R322	Y320-Q324 WeakPolarHBondContact O-CG 3.45Å; Y320-Q324 PolarHBondContact O-N 2.8Å; Y320-Q324 VanDerWaalsContact O-N 3.17Å; Y320-Q324 PolarHBondContact OH-NE2 3.5Å; E321-Q324 PolarHBondContact O-N 2.75Å; R322-Q324 VanDerWaalsContact C-N 3.31Å
325	L	87	Confident	88.2	Confident	21 Å²	21	67.3 Å²	67.3	11%	0.11	33%	0.327	C	S	.	.	H	α-helix	trans	-93.9	-37.8	-171.5	-62.6	172.3	0	0	0	112.7	K280 V282 W314 E321 R322 V327 W335	K280-L325 HydrophobicContact CB-CD2 4.33Å; K280-L325 HydrophobicContact CG-CD1 4.05Å; K280-L325 HydrophobicContact CG-CD2 4.06Å; V282-L325 HydrophobicContact CG1-CD1 3.54Å; W314-L325 HydrophobicContact CH2-CB 4.02Å; W314-L325 HydrophobicContact CZ3-CB 4.1Å; E321-L325 HydrophobicContact CB-CD1 4.5Å; E321-L325 WeakPolarHBondContact O-CB 3.37Å; E321-L325 VanDerWaalsContact O-CG 3.23Å; E321-L325 WeakPolarHBondContact O-CG 3.11Å; E321-L325 PolarHBondContact O-N 2.77Å; R322-L325 PolarHBondContact O-N 3.2Å; L325-V327 PolarHBondContact O-N 2.76Å; L325-W335 HydrophobicContact CB-CZ2 4.25Å; L325-W335 HydrophobicContact CD2-CH2 4.04Å; L325-W335 HydrophobicContact CD2-CZ2 3.7Å; L325-W335 PolarHBondContact O-NE1 3.01Å
326	R	80.2	Confident	88.4	Confident	48 Å²	48	62.3 Å²	62.3	18%	0.181	30%	0.3	C	S	.	.			trans	-94.3	95	-173.3	-170.8	-172.1	71.1	-172.7	-1.4	110.9	W314 R322 K328	W314-R326 VanDerWaalsContact CD1-CD 3.46Å; W314-R326 HydrophobicContact CD2-CB 4.09Å; W314-R326 HydrophobicContact CD2-CG 4.16Å; W314-R326 HydrophobicContact CE3-CB 4.24Å; W314-R326 VanDerWaalsContact CG-CD 3.48Å; W314-R326 HydrophobicContact CG-CG 4.28Å; W314-R326 HydrophobicContact CH2-CB 4.4Å; W314-R326 HydrophobicContact CZ2-CB 4.24Å; W314-R326 HydrophobicContact CZ2-CG 4.42Å; W314-R326 HydrophobicContact CZ3-CB 4.39Å; R322-R326 HydrophobicContact CG-CB 4.35Å; R322-R326 WeakPolarHBondContact O-CB 3.4Å; R322-R326 PolarHBondContact O-N 2.78Å; R326-K328 HydrophobicContact CG-CG 4.36Å
327	V	75.4	Confident	88.6	Confident	69 Å²	69	60.9 Å²	60.9	42%	0.418	29%	0.29	S	S	.	.			trans	-74.4	143.8	157.5	-172.4	0	0	0	0	107.3	D309 L325 M329	D309-V327 VanDerWaalsContact CG-O 3.25Å; L325-V327 PolarHBondContact O-N 2.76Å; V327-M329 HydrophobicContact CG1-CB 3.86Å
328	K	77.4	Confident	88.8	Confident	133 Å²	133	62 Å²	62	58%	0.578	29%	0.294	S	S	*	.			trans	-118.6	82.3	174.2	-81.7	-168.8	172	-167.6	0	107.9	D309 R326	D309-K328 VanDerWaalsContact O-CE 3.25Å; D309-K328 WeakPolarHBondContact O-CE 3.36Å; D309-K328 WeakPolarHBondContact OD2-CA 3.4Å; R326-K328 HydrophobicContact CG-CG 4.36Å
329	M	81.2	Confident	89.1	Confident	107 Å²	107	67.5 Å²	67.5	53%	0.527	31%	0.309	S	S	.	.	S	Bend	trans	-150.3	136.4	-173.9	-173.2	166.7	169.6	0	0	108.3	D309 V327 D331	D309-M329 PolarHBondContact OD2-N 2.9Å; D309-M329 VanDerWaalsContact OD2-N 3.13Å; V327-M329 HydrophobicContact CG1-CB 3.86Å; M329-D331 VanDerWaalsContact C-N 3.28Å; M329-D331 HydrophobicContact CE-CB 4.42Å; M329-D331 HydrophobicContact CG-CB 4.07Å; M329-D331 PolarHBondContact O-N 3.4Å; M329-D331 HydrophobicContact SD-CB 4.46Å
330	E	82.9	Confident	89.3	Confident	111 Å²	111	64.5 Å²	64.5	52%	0.519	29%	0.288	S	S	.	.			trans	-79.7	85.5	170.4	-172.7	85.9	-148.6	0	0	107.6	E300 V301 E302	E300-E330 HydrophobicContact CB-CG 4.35Å; V301-E330 WeakPolarHBondContact CA-OE1 3.5Å; V301-E330 PolarHBondContact N-OE1 2.89Å; E302-E330 PolarHBondContact N-OE1 3.35Å; E302-E330 WeakPolarHBondContact OE1-CA 3.34Å
331	D	86.8	Confident	89.7	Confident	19 Å²	19	57.1 Å²	57.1	10%	0.102	26%	0.259	C	S	.	.	S	Bend	trans	-123.8	6	-179.9	66.2	14.7	0	0	0	112.6	T105 G299 E302 M329 E333	T105-D331 HydrophobicContact CG2-CB 4.32Å; G299-D331 VanDerWaalsContact C-C 3.44Å; G299-D331 CarbonylContact C-O 3.46Å; G299-D331 WeakPolarHBondContact CA-O 3.4Å; G299-D331 CarbonylContact O-C 3.45Å; G299-D331 VanDerWaalsContact O-C 3.24Å; G299-D331 WeakPolarHBondContact O-CA 3.42Å; E302-D331 PolarHBondContact OE1-N 3.46Å; M329-D331 VanDerWaalsContact C-N 3.28Å; M329-D331 HydrophobicContact CE-CB 4.42Å; M329-D331 HydrophobicContact CG-CB 4.07Å; M329-D331 PolarHBondContact O-N 3.4Å; M329-D331 HydrophobicContact SD-CB 4.46Å; D331-E333 PolarHBondContact O-N 3.17Å; D331-E333 WeakPolarHBondContact OD1-CA 3.42Å; D331-E333 WeakPolarHBondContact OD1-CB 3.45Å; D331-E333 PolarHBondContact OD1-N 3.19Å
332	G	90.7	Very high	90.1	Very high	0 Å²	0	57 Å²	57	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	82.4	-6.4	-177.9	0	0	0	0	0	113.4	R295 N296 E302 F334	R295-G332 CarbonylContact C-O 3.28Å; R295-G332 WeakPolarHBondContact CA-O 3.35Å; N296-G332 PolarHBondContact N-O 3.05Å; E302-G332 PolarHBondContact OE1-N 3.33Å; G332-F334 WeakPolarHBondContact O-CD1 3.49Å
333	E	93.9	Very high	90.4	Very high	9 Å²	9	59.9 Å²	59.9	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.4	178.3	-175.1	164.6	-101.1	0	0	111.6	R104 T277 R293 M294 R295 D331	R104-E333 IonicContact CZ-OE1 2.71Å; R104-E333 IonicContact CZ-OE2 3.38Å; R104-E333 VanDerWaalsContact NE-CD 3.32Å; R104-E333 IonicContact NE-OE1 3.51Å; R104-E333 PolarHBondContact NE-OE1 3.35Å; R104-E333 IonicContact NE-OE2 3.48Å; R104-E333 PolarHBondContact NE-OE2 3.31Å; R104-E333 IonicContact NH2-OE1 3.38Å; R104-E333 IonicContact NH2-OE2 3.47Å; R104-E333 PolarHBondContact NH2-OE2 3.32Å; T277-E333 VanDerWaalsContact CB-OE1 3.31Å; T277-E333 WeakPolarHBondContact CB-OE1 3.35Å; T277-E333 PolarHBondContact OG1-OE1 3.16Å; R293-E333 VanDerWaalsContact CD-CD 3.41Å; R293-E333 WeakPolarHBondContact CD-OE2 3.38Å; R293-E333 HydrophobicContact CG-CG 3.66Å; R293-E333 IonicContact CZ-OE1 3.5Å; R293-E333 IonicContact CZ-OE2 3.48Å; R293-E333 IonicContact NE-OE1 3.3Å; R293-E333 PolarHBondContact NE-OE1 3.05Å; R293-E333 IonicContact NE-OE2 3.87Å; R293-E333 PolarHBondContact NE-OE2 3.41Å; R293-E333 IonicContact NH1-OE2 2.72Å; R293-E333 PolarHBondContact NH1-OE2 3.19Å; M294-E333 CarbonylContact O-C 3.59Å; M294-E333 VanDerWaalsContact O-CA 3.31Å; M294-E333 WeakPolarHBondContact O-CA 3.38Å; R295-E333 HydrophobicContact CB-CB 4.25Å; R295-E333 HydrophobicContact CB-CG 4.49Å; R295-E333 HydrophobicContact CG-CB 4.19Å; D331-E333 PolarHBondContact O-N 3.17Å; D331-E333 WeakPolarHBondContact OD1-CA 3.42Å; D331-E333 WeakPolarHBondContact OD1-CB 3.45Å; D331-E333 PolarHBondContact OD1-N 3.19Å
334	F	95.4	Very high	90.8	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	158.7	-179.6	57.1	-91.9	0	0	0	111.9	L268 Y274 R293 M294 E302 W303 G332	L268-F334 HydrophobicContact CD2-CE2 4.05Å; L268-F334 HydrophobicContact CD2-CZ 3.7Å; Y274-F334 HydrophobicContact CD1-CE1 4.39Å; Y274-F334 HydrophobicContact CD1-CZ 4.35Å; Y274-F334 AromaticContact CE1-CE1 3.99Å; Y274-F334 HydrophobicContact CE1-CE1 3.99Å; Y274-F334 HydrophobicContact CE1-CZ 4.04Å; R293-F334 WeakPolarHBondContact CA-O 3.4Å; M294-F334 HydrophobicContact CB-CE2 4.41Å; M294-F334 HydrophobicContact CB-CZ 4.33Å; M294-F334 HydrophobicContact CE-CD2 4.33Å; M294-F334 HydrophobicContact CE-CE2 3.43Å; M294-F334 VanDerWaalsContact CE-CE2 3.43Å; M294-F334 HydrophobicContact CE-CZ 3.98Å; M294-F334 PolarHBondContact N-O 3.03Å; M294-F334 PolarHBondContact O-N 3.08Å; E302-F334 HydrophobicContact CB-CB 4.39Å; E302-F334 HydrophobicContact CB-CD1 4.05Å; E302-F334 HydrophobicContact CG-CD1 4.06Å; W303-F334 HydrophobicContact CB-CB 4.31Å; W303-F334 HydrophobicContact CB-CD1 4.23Å; W303-F334 HydrophobicContact CB-CD2 3.2Å; W303-F334 HydrophobicContact CB-CE1 4.37Å; W303-F334 HydrophobicContact CB-CE2 3.36Å; W303-F334 HydrophobicContact CB-CG 3.66Å; W303-F334 HydrophobicContact CB-CZ 3.97Å; W303-F334 AromaticContact CG-CD2 3.99Å; W303-F334 HydrophobicContact CG-CD2 3.99Å; W303-F334 HydrophobicContact CG-CE2 4.14Å; G332-F334 WeakPolarHBondContact O-CD1 3.49Å
335	W	96.8	Very high	91.3	Very high	11 Å²	11	48.8 Å²	48.8	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	147.3	169.7	-67.5	90.3	0	0	0	111.6	K280 L291 I292 R293 W307 W314 L325	K280-W335 HydrophobicContact CB-CH2 3.86Å; K280-W335 HydrophobicContact CB-CZ3 4.02Å; L291-W335 HydrophobicContact CB-CE3 3.61Å; L291-W335 HydrophobicContact CB-CZ3 3.94Å; L291-W335 HydrophobicContact CD1-CE3 4.47Å; I292-W335 VanDerWaalsContact C-CE3 3.5Å; I292-W335 WeakPolarHBondContact O-CA 3.43Å; R293-W335 HydrophobicContact CB-CD2 3.74Å; R293-W335 HydrophobicContact CB-CE3 3.68Å; R293-W335 HydrophobicContact CB-CG 4.46Å; R293-W335 HydrophobicContact CB-CH2 3.85Å; R293-W335 HydrophobicContact CB-CZ2 3.88Å; R293-W335 HydrophobicContact CB-CZ3 3.75Å; R293-W335 HydrophobicContact CG-CD2 4.02Å; R293-W335 HydrophobicContact CG-CE3 4.47Å; R293-W335 HydrophobicContact CG-CG 4.35Å; R293-W335 HydrophobicContact CG-CZ2 4.19Å; W307-W335 CarbonylContact C-O 3.59Å; W307-W335 VanDerWaalsContact C-O 3.29Å; W307-W335 HydrophobicContact CB-CB 4.28Å; W314-W335 HydrophobicContact CH2-CB 4.41Å; W314-W335 HydrophobicContact CH2-CG 4.08Å; W314-W335 HydrophobicContact CZ2-CB 3.87Å; W314-W335 AromaticContact CZ2-CD1 3.76Å; W314-W335 AromaticContact CZ2-CG 3.87Å; W314-W335 HydrophobicContact CZ2-CG 3.87Å; L325-W335 HydrophobicContact CB-CZ2 4.25Å; L325-W335 HydrophobicContact CD2-CH2 4.04Å; L325-W335 HydrophobicContact CD2-CZ2 3.7Å; L325-W335 PolarHBondContact O-NE1 3.01Å
336	M	97.1	Very high	91.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	165.9	163.2	72	175.5	-5.9	0	0	110.9	L268 L291 I292 M294 W303 D340 F341 E344 F345	L268-M336 HydrophobicContact CD1-CE 4.49Å; L291-M336 WeakPolarHBondContact CA-O 3.34Å; I292-M336 HydrophobicContact CG2-CG 3.79Å; I292-M336 PolarHBondContact N-O 3.44Å; I292-M336 PolarHBondContact O-N 3.31Å; M294-M336 HydrophobicContact CE-CE 4.44Å; M294-M336 HydrophobicContact CE-CG 3.66Å; M294-M336 HydrophobicContact CE-SD 3.22Å; M294-M336 WeakPolarHBondContact CE-SD 3.49Å; W303-M336 HydrophobicContact CD2-CE 3.68Å; W303-M336 HydrophobicContact CE3-CE 3.74Å; W303-M336 HydrophobicContact CG-CE 4.39Å; W303-M336 HydrophobicContact CH2-CE 3.52Å; W303-M336 HydrophobicContact CZ2-CE 3.52Å; W303-M336 HydrophobicContact CZ3-CE 3.64Å; M336-D340 HydrophobicContact CE-CB 3.82Å; M336-D340 HydrophobicContact SD-CB 4.41Å; M336-F341 HydrophobicContact CG-CB 4.21Å; M336-F341 WeakPolarHBondContact SD-CA 3.4Å; M336-F341 HydrophobicContact SD-CB 3.7Å; M336-F341 HydrophobicContact SD-CD2 4.48Å; M336-F341 PolarHBondContact SD-N 2.9Å; M336-F341 VanDerWaalsContact SD-N 3.45Å; M336-E344 HydrophobicContact CE-CG 4.36Å; M336-F345 HydrophobicContact SD-CD2 4.36Å; M336-F345 HydrophobicContact SD-CE2 4.06Å
337	S	97.1	Very high	92.4	Very high	14 Å²	14	50.1 Å²	50.1	10%	0.098	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	143.9	171.2	79.8	0	0	0	0	110.5	R339 D340 F341	S337-R339 PolarHBondContact O-N 3.26Å; S337-R339 VanDerWaalsContact O-N 3.16Å; S337-D340 PolarHBondContact O-N 3.5Å; S337-D340 WeakPolarHBondContact OG-CB 3.28Å; S337-D340 PolarHBondContact OG-N 3.41Å; S337-D340 PolarHBondContact OG-OD2 3.31Å; S337-F341 PolarHBondContact O-N 3.04Å
338	F	97.6	Very high	93.4	Very high	29 Å²	29	46.8 Å²	46.8	13%	0.127	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-30	175.8	-175.8	-112.9	0	0	0	112	L234 Y235 I238 N290 F341 M342	L234-F338 HydrophobicContact CB-CZ 4.25Å; L234-F338 HydrophobicContact CD2-CZ 4.07Å; L234-F338 HydrophobicContact CG-CZ 4.16Å; Y235-F338 HydrophobicContact CD2-CB 3.99Å; Y235-F338 AromaticContact CD2-CD1 3.97Å; Y235-F338 HydrophobicContact CD2-CD1 3.97Å; Y235-F338 AromaticContact CD2-CD2 3.56Å; Y235-F338 HydrophobicContact CD2-CD2 3.56Å; Y235-F338 HydrophobicContact CD2-CE1 4.35Å; Y235-F338 AromaticContact CD2-CE2 3.97Å; Y235-F338 HydrophobicContact CD2-CE2 3.97Å; Y235-F338 AromaticContact CD2-CG 3.55Å; Y235-F338 HydrophobicContact CD2-CG 3.55Å; Y235-F338 HydrophobicContact CD2-CZ 4.35Å; Y235-F338 HydrophobicContact CE2-CB 4.18Å; Y235-F338 HydrophobicContact CE2-CD2 4.25Å; Y235-F338 HydrophobicContact CE2-CG 4.21Å; Y235-F338 HydrophobicContact CG-CD1 4.32Å; Y235-F338 HydrophobicContact CG-CE1 4.49Å; Y235-F338 HydrophobicContact CG-CG 4.34Å; I238-F338 HydrophobicContact CD1-CE2 3.68Å; I238-F338 HydrophobicContact CD1-CZ 4.38Å; N290-F338 HydrophobicContact CB-CB 3.79Å; N290-F338 WeakPolarHBondContact O-CB 3.49Å; N290-F338 PolarHBondContact O-N 2.82Å; F338-F341 AromaticContact CD2-CD1 3.82Å; F338-F341 HydrophobicContact CD2-CD1 3.82Å; F338-F341 AromaticContact CE2-CD1 3.68Å; F338-F341 HydrophobicContact CE2-CD1 3.68Å; F338-F341 HydrophobicContact CE2-CE1 4.06Å; F338-F341 WeakPolarHBondContact O-CB 3.41Å; F338-F341 PolarHBondContact O-N 2.85Å; F338-M342 HydrophobicContact CD1-CG 4.21Å; F338-M342 HydrophobicContact CE1-CG 3.84Å; F338-M342 HydrophobicContact CE1-SD 4.21Å; F338-M342 HydrophobicContact CE2-CG 4.29Å; F338-M342 HydrophobicContact CE2-SD 4.35Å; F338-M342 HydrophobicContact CZ-CG 3.89Å; F338-M342 HydrophobicContact CZ-SD 3.8Å; F338-M342 VanDerWaalsContact O-CG 3.22Å; F338-M342 WeakPolarHBondContact O-CG 3.44Å; F338-M342 PolarHBondContact O-N 3.43Å
339	R	96.3	Very high	94.2	Very high	203 Å²	203	41.1 Å²	41.1	77%	0.766	18%	0.179	S	C	*	.	H	α-helix	trans	-65.5	-40.6	173.8	-176.6	-179.1	176.2	-171.7	-1	112.3	S337 R343	S337-R339 PolarHBondContact O-N 3.26Å; S337-R339 VanDerWaalsContact O-N 3.16Å; R339-R343 PolarHBondContact O-N 2.96Å
340	D	97.1	Very high	94.7	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.102	15%	0.154	C	C	.	.	H	α-helix	trans	-69.6	-41.2	175.1	-64.7	-44	0	0	0	110.5	W303 M336 S337 M342 R343 E344	W303-D340 HydrophobicContact CH2-CB 4.42Å; W303-D340 HydrophobicContact CZ2-CB 4.22Å; M336-D340 HydrophobicContact CE-CB 3.82Å; M336-D340 HydrophobicContact SD-CB 4.41Å; S337-D340 PolarHBondContact O-N 3.5Å; S337-D340 WeakPolarHBondContact OG-CB 3.28Å; S337-D340 PolarHBondContact OG-N 3.41Å; S337-D340 PolarHBondContact OG-OD2 3.31Å; D340-M342 PolarHBondContact O-N 3.22Å; D340-R343 PolarHBondContact O-N 2.92Å; D340-R343 IonicContact OD1-CZ 3.11Å; D340-R343 IonicContact OD1-NH1 2.58Å; D340-R343 PolarHBondContact OD1-NH1 3.33Å; D340-R343 IonicContact OD1-NH2 3.99Å; D340-R343 PolarHBondContact OD1-NH2 3.34Å; D340-E344 VanDerWaalsContact O-CG 3.29Å; D340-E344 WeakPolarHBondContact O-CG 3.34Å; D340-E344 PolarHBondContact O-N 2.95Å
341	F	97.5	Very high	95.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-52.8	-52	174	170.9	-107.4	0	0	0	112.1	L227 C250 I292 M294 M336 S337 F338 R343 E344 F345 L348	L227-F341 HydrophobicContact CD1-CD1 4.24Å; L227-F341 HydrophobicContact CD1-CE1 3.62Å; L227-F341 HydrophobicContact CD1-CE2 4Å; L227-F341 HydrophobicContact CD1-CZ 3.48Å; L227-F341 VanDerWaalsContact CD1-CZ 3.48Å; L227-F341 HydrophobicContact CD2-CE1 3.78Å; L227-F341 HydrophobicContact CD2-CZ 4.13Å; L227-F341 HydrophobicContact CG-CE1 4.38Å; L227-F341 HydrophobicContact CG-CZ 4.46Å; C250-F341 HydrophobicContact CB-CE2 3.88Å; C250-F341 HydrophobicContact CB-CZ 4.19Å; I292-F341 HydrophobicContact CD1-CD1 4.06Å; I292-F341 HydrophobicContact CD1-CD2 4.26Å; I292-F341 HydrophobicContact CD1-CE1 4.07Å; I292-F341 HydrophobicContact CD1-CE2 4.28Å; I292-F341 HydrophobicContact CD1-CG 4.15Å; I292-F341 HydrophobicContact CD1-CZ 4.18Å; I292-F341 HydrophobicContact CG2-CB 3.69Å; I292-F341 HydrophobicContact CG2-CD2 4.37Å; I292-F341 HydrophobicContact CG2-CG 3.99Å; M294-F341 HydrophobicContact CE-CD2 4.32Å; M294-F341 HydrophobicContact SD-CD2 3.69Å; M294-F341 HydrophobicContact SD-CE2 3.91Å; M336-F341 HydrophobicContact CG-CB 4.21Å; M336-F341 WeakPolarHBondContact SD-CA 3.4Å; M336-F341 HydrophobicContact SD-CB 3.7Å; M336-F341 HydrophobicContact SD-CD2 4.48Å; M336-F341 PolarHBondContact SD-N 2.9Å; M336-F341 VanDerWaalsContact SD-N 3.45Å; S337-F341 PolarHBondContact O-N 3.04Å; F338-F341 AromaticContact CD2-CD1 3.82Å; F338-F341 HydrophobicContact CD2-CD1 3.82Å; F338-F341 AromaticContact CE2-CD1 3.68Å; F338-F341 HydrophobicContact CE2-CD1 3.68Å; F338-F341 HydrophobicContact CE2-CE1 4.06Å; F338-F341 WeakPolarHBondContact O-CB 3.41Å; F338-F341 PolarHBondContact O-N 2.85Å; F341-R343 PolarHBondContact O-N 3.06Å; F341-R343 VanDerWaalsContact O-N 3.14Å; F341-E344 PolarHBondContact O-N 3.47Å; F341-F345 HydrophobicContact CD2-CB 3.97Å; F341-F345 AromaticContact CD2-CD2 3.65Å; F341-F345 HydrophobicContact CD2-CD2 3.65Å; F341-F345 HydrophobicContact CD2-CE2 4.32Å; F341-F345 AromaticContact CD2-CG 3.81Å; F341-F345 HydrophobicContact CD2-CG 3.81Å; F341-F345 HydrophobicContact CE2-CB 3.79Å; F341-F345 HydrophobicContact CE2-CD1 4.23Å; F341-F345 HydrophobicContact CE2-CD2 4.1Å; F341-F345 AromaticContact CE2-CG 3.77Å; F341-F345 HydrophobicContact CE2-CG 3.77Å; F341-F345 HydrophobicContact CZ-CB 4.49Å; F341-F345 WeakPolarHBondContact O-CB 3.46Å; F341-F345 PolarHBondContact O-N 3.09Å; F341-L348 HydrophobicContact CZ-CB 4.39Å; F341-L348 HydrophobicContact CZ-CD1 4.14Å
342	M	96.7	Very high	95	Very high	56 Å²	56	30.9 Å²	30.9	28%	0.276	13%	0.13	S	C	.	.	H	α-helix	trans	-59.1	-25.3	176.8	-71.6	-67.8	-68.1	0	0	114.1	L227 A230 L234 F338 D340	L227-M342 HydrophobicContact CB-SD 4.26Å; L227-M342 HydrophobicContact CD2-SD 3.98Å; L227-M342 WeakPolarHBondContact O-CE 3.44Å; A230-M342 HydrophobicContact CB-CE 3.76Å; A230-M342 HydrophobicContact CB-SD 4.41Å; L234-M342 HydrophobicContact CD2-SD 3.85Å; F338-M342 HydrophobicContact CD1-CG 4.21Å; F338-M342 HydrophobicContact CE1-CG 3.84Å; F338-M342 HydrophobicContact CE1-SD 4.21Å; F338-M342 HydrophobicContact CE2-CG 4.29Å; F338-M342 HydrophobicContact CE2-SD 4.35Å; F338-M342 HydrophobicContact CZ-CG 3.89Å; F338-M342 HydrophobicContact CZ-SD 3.8Å; F338-M342 VanDerWaalsContact O-CG 3.22Å; F338-M342 WeakPolarHBondContact O-CG 3.44Å; F338-M342 PolarHBondContact O-N 3.43Å; D340-M342 PolarHBondContact O-N 3.22Å
343	R	96.2	Very high	94.4	Very high	129 Å²	129	31.3 Å²	31.3	49%	0.487	13%	0.132	S	C	.	.	H	α-helix	trans	-89.5	-41.4	-179.2	-173.4	-179.8	67.7	-121.2	-6.9	112.5	K266 R339 D340 F341	K266-R343 VanDerWaalsContact NZ-NH2 3.19Å; R339-R343 PolarHBondContact O-N 2.96Å; D340-R343 PolarHBondContact O-N 2.92Å; D340-R343 IonicContact OD1-CZ 3.11Å; D340-R343 IonicContact OD1-NH1 2.58Å; D340-R343 PolarHBondContact OD1-NH1 3.33Å; D340-R343 IonicContact OD1-NH2 3.99Å; D340-R343 PolarHBondContact OD1-NH2 3.34Å; F341-R343 PolarHBondContact O-N 3.06Å; F341-R343 VanDerWaalsContact O-N 3.14Å
344	E	96.4	Very high	93.3	Very high	42 Å²	42	31.4 Å²	31.4	20%	0.196	13%	0.133	C	C	.	.	H	α-helix	trans	-90.3	-32.9	-171.8	-52.4	-63.5	165.2	0	0	112.2	K266 L268 W303 M336 D340 F341	K266-E344 IonicContact NZ-OE1 3.92Å; K266-E344 PolarHBondContact NZ-OE1 2.88Å; L268-E344 HydrophobicContact CD1-CB 3.62Å; L268-E344 HydrophobicContact CD1-CG 4.09Å; W303-E344 HydrophobicContact CH2-CG 3.96Å; W303-E344 HydrophobicContact CZ3-CG 4.06Å; M336-E344 HydrophobicContact CE-CG 4.36Å; D340-E344 VanDerWaalsContact O-CG 3.29Å; D340-E344 WeakPolarHBondContact O-CG 3.34Å; D340-E344 PolarHBondContact O-N 2.95Å; F341-E344 PolarHBondContact O-N 3.47Å
345	F	97.1	Very high	91.7	Very high	3 Å²	3	33 Å²	33	1%	0.013	14%	0.144	C	C	.	.			trans	-92.8	157.9	179.8	-73.2	-103.1	0	0	0	112.2	L227 C250 I252 L268 Y274 M294 M336 F341	L227-F345 HydrophobicContact CD1-CB 3.47Å; L227-F345 VanDerWaalsContact CD1-CB 3.47Å; C250-F345 HydrophobicContact CB-CD1 4Å; C250-F345 HydrophobicContact CB-CE1 4.44Å; I252-F345 HydrophobicContact CD1-CD1 4.43Å; I252-F345 HydrophobicContact CD1-CE1 4.27Å; I252-F345 HydrophobicContact CD1-CE2 4.5Å; I252-F345 HydrophobicContact CD1-CZ 4.3Å; I252-F345 HydrophobicContact CG1-CD1 3.7Å; I252-F345 HydrophobicContact CG1-CE1 3.9Å; I252-F345 HydrophobicContact CG1-CG 4.07Å; I252-F345 HydrophobicContact CG1-CZ 4.4Å; L268-F345 HydrophobicContact CD1-CE2 3.9Å; L268-F345 HydrophobicContact CD1-CZ 4.48Å; L268-F345 HydrophobicContact CD2-CE2 4.16Å; L268-F345 HydrophobicContact CD2-CZ 4.16Å; Y274-F345 AromaticContact CD2-CE1 3.82Å; Y274-F345 HydrophobicContact CD2-CE1 3.82Å; Y274-F345 HydrophobicContact CD2-CZ 4.3Å; Y274-F345 HydrophobicContact CE2-CE1 4.32Å; Y274-F345 HydrophobicContact CG-CE1 4.1Å; Y274-F345 HydrophobicContact CG-CZ 4.4Å; M294-F345 HydrophobicContact CE-CD2 4.37Å; M294-F345 HydrophobicContact CE-CE2 3.54Å; M294-F345 HydrophobicContact CE-CZ 3.74Å; M294-F345 HydrophobicContact SD-CD2 4.27Å; M294-F345 HydrophobicContact SD-CE1 3.97Å; M294-F345 HydrophobicContact SD-CE2 3.7Å; M294-F345 HydrophobicContact SD-CZ 3.52Å; M294-F345 VanDerWaalsContact SD-CZ 3.52Å; M336-F345 HydrophobicContact SD-CD2 4.36Å; M336-F345 HydrophobicContact SD-CE2 4.06Å; F341-F345 HydrophobicContact CD2-CB 3.97Å; F341-F345 AromaticContact CD2-CD2 3.65Å; F341-F345 HydrophobicContact CD2-CD2 3.65Å; F341-F345 HydrophobicContact CD2-CE2 4.32Å; F341-F345 AromaticContact CD2-CG 3.81Å; F341-F345 HydrophobicContact CD2-CG 3.81Å; F341-F345 HydrophobicContact CE2-CB 3.79Å; F341-F345 HydrophobicContact CE2-CD1 4.23Å; F341-F345 HydrophobicContact CE2-CD2 4.1Å; F341-F345 AromaticContact CE2-CG 3.77Å; F341-F345 HydrophobicContact CE2-CG 3.77Å; F341-F345 HydrophobicContact CZ-CB 4.49Å; F341-F345 WeakPolarHBondContact O-CB 3.46Å; F341-F345 PolarHBondContact O-N 3.09Å
346	T	96.1	Very high	90.2	Very high	12 Å²	12	36.7 Å²	36.7	7%	0.074	16%	0.164	C	C	.	.			trans	-111.1	-40.6	-178.3	-51.4	0	0	0	0	112.7	L227 S251 D253	L227-T346 PolarHBondContact N-O 3.11Å; S251-T346 PolarHBondContact O-N 3.07Å; D253-T346 HydrophobicContact CB-CG2 3.88Å; D253-T346 PolarHBondContact N-OG1 2.95Å; D253-T346 WeakPolarHBondContact OD2-CG2 3.41Å
347	R	94.8	Very high	88.3	Confident	85 Å²	85	36.9 Å²	36.9	32%	0.321	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.7	-176.4	-58.3	-177	-160.7	-175.4	1.6	111.6	Y225 C250 S251 D253	Y225-R347 WeakPolarHBondContact O-CA 3.26Å; C250-R347 VanDerWaalsContact CA-O 3.22Å; C250-R347 WeakPolarHBondContact CA-O 3.44Å; C250-R347 VanDerWaalsContact CB-O 3.31Å; C250-R347 WeakPolarHBondContact CB-O 3.5Å; S251-R347 PolarHBondContact N-O 2.99Å; S251-R347 PolarHBondContact O-N 3.16Å; S251-R347 VanDerWaalsContact O-N 3.13Å; D253-R347 IonicContact OD1-CZ 2.66Å; D253-R347 IonicContact OD1-NE 3.56Å; D253-R347 PolarHBondContact OD1-NE 2.85Å; D253-R347 IonicContact OD1-NH2 3.35Å; D253-R347 PolarHBondContact OD1-NH2 3Å; D253-R347 IonicContact OD2-CZ 3.14Å; D253-R347 IonicContact OD2-NE 3.32Å; D253-R347 PolarHBondContact OD2-NE 2.83Å; D253-R347 VanDerWaalsContact OD2-NE 3.13Å; D253-R347 IonicContact OD2-NH2 2.94Å; D253-R347 PolarHBondContact OD2-NH2 3.16Å
348	L	95.4	Very high	86.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.1	166.2	174.6	77	0	0	0	108.2	W224 Y225 L227 L234 I238 G249 C250 V276 F341 I350	W224-L348 CarbonylContact C-O 3.59Å; W224-L348 WeakPolarHBondContact CA-O 3.43Å; Y225-L348 HydrophobicContact CD2-CD2 4.26Å; Y225-L348 PolarHBondContact N-O 2.77Å; Y225-L348 PolarHBondContact O-N 3.18Å; L227-L348 HydrophobicContact CD2-CB 3.87Å; L234-L348 HydrophobicContact CD1-CD2 3.9Å; L234-L348 HydrophobicContact CD2-CD2 4.42Å; L234-L348 HydrophobicContact CG-CD2 4.48Å; I238-L348 HydrophobicContact CD1-CD2 3.8Å; I238-L348 HydrophobicContact CG1-CD2 3.75Å; G249-L348 CarbonylContact O-C 3.53Å; G249-L348 WeakPolarHBondContact O-CD1 3.43Å; C250-L348 HydrophobicContact CB-CD1 4.35Å; V276-L348 HydrophobicContact CG2-CD1 3.96Å; F341-L348 HydrophobicContact CZ-CB 4.39Å; F341-L348 HydrophobicContact CZ-CD1 4.14Å; L348-I350 HydrophobicContact CD2-CD1 3.96Å; L348-I350 HydrophobicContact CD2-CG1 4.1Å; L348-I350 HydrophobicContact CG-CG1 4.11Å
349	E	94.7	Very high	84.2	Confident	13 Å²	13	44.2 Å²	44.2	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.5	177.7	-60.5	176.9	-159.1	0	0	108.2	S209 T210 S211 F214 E223 W224 L248 G249	S209-E349 PolarHBondContact OG-OE1 3.19Å; S209-E349 PolarHBondContact OG-OE2 2.97Å; T210-E349 WeakPolarHBondContact CB-OE2 3.39Å; T210-E349 PolarHBondContact N-OE2 2.71Å; S211-E349 WeakPolarHBondContact CB-OE2 3.43Å; S211-E349 PolarHBondContact N-OE2 3.25Å; S211-E349 VanDerWaalsContact OG-CD 3.28Å; S211-E349 PolarHBondContact OG-OE2 2.89Å; F214-E349 HydrophobicContact CE2-CB 4.47Å; E223-E349 CarbonylContact O-C 3.54Å; E223-E349 WeakPolarHBondContact O-CA 3.44Å; W224-E349 HydrophobicContact CB-CG 4.27Å; L248-E349 WeakPolarHBondContact CA-O 3.42Å; G249-E349 PolarHBondContact N-O 2.75Å; G249-E349 PolarHBondContact O-N 3.28Å
350	I	92.3	Very high	81.9	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.5	179	-51.8	-171.8	0	0	0	108.4	T222 E223 Y225 I237 A241 L248 L348	T222-I350 CarbonylContact C-O 3.57Å; T222-I350 WeakPolarHBondContact CA-O 3.42Å; E223-I350 PolarHBondContact N-O 3.36Å; E223-I350 PolarHBondContact O-N 3.17Å; Y225-I350 HydrophobicContact CD2-CD1 4.25Å; Y225-I350 HydrophobicContact CD2-CG1 4.44Å; Y225-I350 HydrophobicContact CE2-CD1 3.79Å; Y225-I350 HydrophobicContact CE2-CG1 4.24Å; I237-I350 HydrophobicContact CG2-CD1 4.01Å; A241-I350 HydrophobicContact CB-CD1 4.33Å; A241-I350 HydrophobicContact CB-CG2 3.82Å; L248-I350 HydrophobicContact CD1-CG2 4.38Å; L248-I350 HydrophobicContact CD2-CD1 4.45Å; L248-I350 HydrophobicContact CD2-CG1 4.42Å; L248-I350 HydrophobicContact CG-CG1 4.15Å; L248-I350 HydrophobicContact CG-CG2 4.27Å; L348-I350 HydrophobicContact CD2-CD1 3.96Å; L348-I350 HydrophobicContact CD2-CG1 4.1Å; L348-I350 HydrophobicContact CG-CG1 4.11Å
351	C	92.7	Very high	79.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	108.2	173	-170.4	0	0	0	0	110.7	F214 T218 V221 T222 S246 L247	F214-C351 HydrophobicContact CB-CB 3.46Å; F214-C351 VanDerWaalsContact CB-CB 3.46Å; F214-C351 HydrophobicContact CD2-CB 3.82Å; F214-C351 HydrophobicContact CG-CB 3.84Å; T218-C351 PolarHBondContact OG1-SG 2.71Å; V221-C351 CarbonylContact O-C 3.57Å; V221-C351 WeakPolarHBondContact O-CA 3.27Å; T222-C351 HydrophobicContact CG2-CB 3.83Å; S246-C351 WeakPolarHBondContact CA-O 3.39Å; S246-C351 VanDerWaalsContact CB-O 3.27Å; S246-C351 WeakPolarHBondContact CB-O 3.38Å; L247-C351 HydrophobicContact CB-CB 4.18Å; L247-C351 PolarHBondContact N-O 3.43Å; L247-C351 PolarHBondContact O-N 3.17Å
352	N	82.6	Confident	76.8	Confident	20 Å²	20	53.8 Å²	53.8	11%	0.107	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.5	173.8	-69.4	-49.7	0	0	0	110.4	G220 V221 E223	G220-N352 CarbonylContact C-O 3.56Å; G220-N352 WeakPolarHBondContact CA-O 3.49Å; V221-N352 HydrophobicContact CG1-CB 4.1Å; V221-N352 PolarHBondContact N-O 2.86Å; V221-N352 PolarHBondContact O-N 2.94Å; E223-N352 PolarHBondContact OE1-ND2 3.29Å
353	L	78.9	Confident	74.7	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.042	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-80.6	144.6	-175.1	-57.2	177	0	0	0	112.2	L130 T218 G245 A357 L358	L130-L353 HydrophobicContact CD1-CD1 3.74Å; L130-L353 HydrophobicContact CD1-CD2 3.52Å; L130-L353 HydrophobicContact CD1-CG 4.27Å; L130-L353 HydrophobicContact CD2-CD1 4.36Å; L130-L353 HydrophobicContact CD2-CD2 4.28Å; L130-L353 HydrophobicContact CG-CD1 4.48Å; T218-L353 HydrophobicContact CG2-CD2 3.85Å; G245-L353 WeakPolarHBondContact O-CD1 3.47Å; L353-A357 HydrophobicContact CB-CB 3.94Å; L353-A357 HydrophobicContact CD2-CB 4.43Å; L353-L358 HydrophobicContact CB-CD1 4.43Å; L353-L358 HydrophobicContact CB-CD2 4.17Å; L353-L358 HydrophobicContact CB-CG 4.05Å; L353-L358 HydrophobicContact CD1-CD2 3.74Å; L353-L358 HydrophobicContact CD1-CG 4.42Å
354	T	70.9	Confident	73	Confident	11 Å²	11	54.1 Å²	54.1	7%	0.067	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-71.6	161.6	170.8	48.8	0	0	0	0	111.8	G219 D356 A357 L358 F514	G219-T354 WeakPolarHBondContact O-CG2 3.31Å; T354-D356 WeakPolarHBondContact CB-OD1 3.4Å; T354-D356 PolarHBondContact O-N 2.85Å; T354-D356 VanDerWaalsContact O-N 3.17Å; T354-D356 PolarHBondContact OG1-OD1 2.85Å; T354-A357 WeakPolarHBondContact O-CB 3.48Å; T354-A357 PolarHBondContact O-N 2.83Å; T354-L358 PolarHBondContact O-N 2.79Å; T354-F514 HydrophobicContact CG2-CE1 3.87Å
355	P	62.1	Low	71.5	Confident	35 Å²	35	57.3 Å²	57.3	23%	0.227	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.7	179	-28.5	36.3	0	0	0	115.6	L358 K365 W366	P355-L358 PolarHBondContact O-N 2.94Å; P355-K365 HydrophobicContact CB-CB 4.23Å; P355-K365 HydrophobicContact CB-CD 4.14Å; P355-K365 HydrophobicContact CB-CG 4.25Å; P355-K365 HydrophobicContact CG-CB 4.15Å; P355-W366 WeakPolarHBondContact CG-O 3.32Å
356	D	63.9	Low	70.3	Confident	88 Å²	88	58.9 Å²	58.9	47%	0.471	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-24.5	178.8	62.6	-60.7	0	0	0	112.6	R133 T354 L358	R133-D356 IonicContact CZ-OD2 2.85Å; R133-D356 VanDerWaalsContact CZ-OD2 3.3Å; R133-D356 IonicContact NH1-OD2 3.98Å; R133-D356 PolarHBondContact NH1-OD2 3.4Å; R133-D356 IonicContact NH2-OD2 3.57Å; R133-D356 PolarHBondContact NH2-OD2 3.45Å; T354-D356 WeakPolarHBondContact CB-OD1 3.4Å; T354-D356 PolarHBondContact O-N 2.85Å; T354-D356 VanDerWaalsContact O-N 3.17Å; T354-D356 PolarHBondContact OG1-OD1 2.85Å; D356-L358 VanDerWaalsContact C-N 3.31Å
357	A	57.1	Low	69.6	Low	5 Å²	5	61.7 Å²	61.7	4%	0.041	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-19.6	172.8	0	0	0	0	0	112.5	L130 R133 L353 T354	L130-A357 HydrophobicContact CD2-CB 3.67Å; R133-A357 VanDerWaalsContact NH1-CA 3.33Å; L353-A357 HydrophobicContact CB-CB 3.94Å; L353-A357 HydrophobicContact CD2-CB 4.43Å; T354-A357 WeakPolarHBondContact O-CB 3.48Å; T354-A357 PolarHBondContact O-N 2.83Å
358	L	58.7	Low	69.3	Low	21 Å²	21	60.2 Å²	60.2	11%	0.11	29%	0.289	C	S	.	.			trans	-101.6	104.5	-178.2	-65.3	169.4	0	0	0	111.7	L353 T354 P355 D356 S360 I363	L353-L358 HydrophobicContact CB-CD1 4.43Å; L353-L358 HydrophobicContact CB-CD2 4.17Å; L353-L358 HydrophobicContact CB-CG 4.05Å; L353-L358 HydrophobicContact CD1-CD2 3.74Å; L353-L358 HydrophobicContact CD1-CG 4.42Å; T354-L358 PolarHBondContact O-N 2.79Å; P355-L358 PolarHBondContact O-N 2.94Å; D356-L358 VanDerWaalsContact C-N 3.31Å; L358-S360 VanDerWaalsContact C-N 3.34Å; L358-I363 HydrophobicContact CD1-CB 4.49Å; L358-I363 HydrophobicContact CD1-CG2 3.84Å; L358-I363 HydrophobicContact CD2-CD1 3.87Å; L358-I363 HydrophobicContact CD2-CG2 4.5Å
359	K	51.3	Low	69.1	Low	176 Å²	176	62.3 Å²	62.3	77%	0.765	30%	0.302	S	S	*	.			trans	-74.1	-20.4	175.4	-70.9	-175.8	-178.2	171.2	0	113.9	T129	T129-K359 HydrophobicContact CG2-CD 3.79Å; T129-K359 HydrophobicContact CG2-CG 4.18Å
360	S	47.3	Very low	69	Low	49 Å²	49	64.4 Å²	64.4	34%	0.343	31%	0.313	S	S	.	.			trans	-82.2	133.7	-175.5	-173.8	0	0	0	0	112.9	L358 T362	L358-S360 VanDerWaalsContact C-N 3.34Å; S360-T362 VanDerWaalsContact C-N 3.27Å; S360-T362 PolarHBondContact O-N 3.18Å; S360-T362 PolarHBondContact OG-N 3.35Å; S360-T362 PolarHBondContact OG-OG1 3.09Å
361	R	46.2	Very low	69.1	Low	244 Å²	244	66.3 Å²	66.3	92%	0.921	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.5	173.3	-72.9	-176.2	175.5	178.6	-1.6	113.8	I363	R361-I363 VanDerWaalsContact C-N 3.28Å; R361-I363 PolarHBondContact O-N 3.46Å
362	T	41.6	Very low	69.1	Low	129 Å²	129	69.2 Å²	69.2	79%	0.791	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.1	-176.9	54.8	0	0	0	0	113.8	S360	S360-T362 VanDerWaalsContact C-N 3.27Å; S360-T362 PolarHBondContact O-N 3.18Å; S360-T362 PolarHBondContact OG-N 3.35Å; S360-T362 PolarHBondContact OG-OG1 3.09Å
363	I	53.4	Low	69.6	Low	43 Å²	43	68.5 Å²	68.5	22%	0.221	33%	0.331	C	S	.	.	S	Bend	trans	-104.2	129.7	-170.8	-54.2	174	0	0	0	109.3	L358 R361 K365	L358-I363 HydrophobicContact CD1-CB 4.49Å; L358-I363 HydrophobicContact CD1-CG2 3.84Å; L358-I363 HydrophobicContact CD2-CD1 3.87Å; L358-I363 HydrophobicContact CD2-CG2 4.5Å; R361-I363 VanDerWaalsContact C-N 3.28Å; R361-I363 PolarHBondContact O-N 3.46Å; I363-K365 PolarHBondContact O-N 2.89Å
364	R	58.7	Low	70.4	Confident	150 Å²	150	69.3 Å²	69.3	57%	0.566	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-57.9	119.8	172.5	-75.6	-170.2	175.6	179.5	0.5	108.8	D406 E516	R364-D406 IonicContact CZ-OD2 2.79Å; R364-D406 VanDerWaalsContact CZ-OD2 3.3Å; R364-D406 IonicContact NH1-OD2 3.26Å; R364-D406 IonicContact NH2-OD2 3.75Å; R364-D406 PolarHBondContact NH2-OD2 3.24Å; R364-E516 IonicContact CZ-OE1 3.57Å; R364-E516 IonicContact NH1-OE1 3.3Å; R364-E516 PolarHBondContact NH1-OE1 2.89Å
365	K	65.4	Low	71.5	Confident	109 Å²	109	68.8 Å²	68.8	47%	0.474	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-89.4	131.9	-178	-69.8	179.9	172.2	-160.7	0	109.8	P355 I363	P355-K365 HydrophobicContact CB-CB 4.23Å; P355-K365 HydrophobicContact CB-CD 4.14Å; P355-K365 HydrophobicContact CB-CG 4.25Å; P355-K365 HydrophobicContact CG-CB 4.15Å; I363-K365 PolarHBondContact O-N 2.89Å
366	W	72.6	Confident	72.8	Confident	36 Å²	36	70.5 Å²	70.5	14%	0.136	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-69.2	132.6	169.2	-70.9	97.2	0	0	0	110.4	P355 T368 R486 F514 E516	P355-W366 WeakPolarHBondContact CG-O 3.32Å; W366-T368 PolarHBondContact O-N 2.86Å; W366-T368 PolarHBondContact O-OG1 2.86Å; W366-R486 VanDerWaalsContact CH2-NH1 3.29Å; W366-F514 HydrophobicContact CB-CD1 4.36Å; W366-F514 HydrophobicContact CD2-CB 4.34Å; W366-F514 HydrophobicContact CE3-CB 3.91Å; W366-E516 HydrophobicContact CZ3-CB 4.22Å
367	N	81.4	Confident	74.1	Confident	70 Å²	70	72.5 Å²	72.5	37%	0.374	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	125.3	164.1	-65.5	-75.2	0	0	0	107.7	F514 S515 E516 K517 S518	N367-F514 CarbonylContact O-C 3.43Å; N367-F514 VanDerWaalsContact O-CA 3.27Å; N367-F514 WeakPolarHBondContact O-CA 3.16Å; N367-S515 PolarHBondContact N-O 2.91Å; N367-S515 PolarHBondContact O-N 3.46Å; N367-E516 PolarHBondContact ND2-O 3.34Å; N367-K517 PolarHBondContact ND2-O 3.1Å; N367-S518 PolarHBondContact ND2-N 2.79Å
368	T	87.2	Confident	75.3	Confident	54 Å²	54	72.4 Å²	72.4	33%	0.331	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.7	-173.4	-51.2	0	0	0	0	110.5	W366 F513 F514	W366-T368 PolarHBondContact O-N 2.86Å; W366-T368 PolarHBondContact O-OG1 2.86Å; T368-F513 VanDerWaalsContact CA-O 3.29Å; T368-F513 WeakPolarHBondContact CA-O 3.36Å; T368-F514 HydrophobicContact CG2-CD1 3.85Å; T368-F514 HydrophobicContact CG2-CE1 3.47Å; T368-F514 VanDerWaalsContact CG2-CE1 3.47Å; T368-F514 HydrophobicContact CG2-CZ 3.85Å; T368-F514 WeakPolarHBondContact OG1-CD1 3.5Å
369	T	91.1	Very high	76.6	Confident	45 Å²	45	72.1 Å²	72.1	28%	0.276	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.2	168.4	62.1	0	0	0	0	110.6	R512 F513 T521	T369-R512 WeakPolarHBondContact O-CA 3.33Å; T369-F513 PolarHBondContact N-O 3.37Å; T369-F513 PolarHBondContact O-N 3.38Å; T369-T521 VanDerWaalsContact CB-OG1 3.31Å; T369-T521 WeakPolarHBondContact CB-OG1 3.21Å; T369-T521 WeakPolarHBondContact CG2-OG1 3.41Å; T369-T521 WeakPolarHBondContact OG1-CG2 3.48Å; T369-T521 PolarHBondContact OG1-OG1 2.91Å
370	L	93	Very high	78.5	Confident	56 Å²	56	63.9 Å²	63.9	29%	0.293	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.1	-172	-177.7	150.7	0	0	0	110	W154 G157 E372 V510 L511 R512	W154-L370 HydrophobicContact CZ2-CD1 4.42Å; G157-L370 VanDerWaalsContact CA-CD1 3.44Å; L370-E372 HydrophobicContact CD2-CG 4.32Å; L370-V510 HydrophobicContact CD1-CG1 3.57Å; L370-V510 HydrophobicContact CD2-CG1 3.73Å; L370-V510 HydrophobicContact CG-CG1 3.4Å; L370-V510 VanDerWaalsContact CG-CG1 3.4Å; L370-L511 WeakPolarHBondContact CA-O 3.33Å; L370-R512 HydrophobicContact CD1-CG 4Å; L370-R512 HydrophobicContact CG-CG 4.14Å
371	Y	94.6	Very high	80.7	Confident	43 Å²	43	61.5 Å²	61.5	17%	0.169	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.4	175	-63.6	-85.7	0	0	0	110.7	F397 V510 L511 F513 T521 A522 E523	Y371-F397 HydrophobicContact CD1-CD1 4.06Å; Y371-F397 AromaticContact CD1-CE1 3.94Å; Y371-F397 HydrophobicContact CD1-CE1 3.94Å; Y371-F397 AromaticContact CD2-CD1 3.96Å; Y371-F397 HydrophobicContact CD2-CD1 3.96Å; Y371-F397 HydrophobicContact CD2-CE1 4.29Å; Y371-F397 AromaticContact CG-CD1 3.7Å; Y371-F397 HydrophobicContact CG-CD1 3.7Å; Y371-F397 AromaticContact CG-CE1 3.61Å; Y371-F397 HydrophobicContact CG-CE1 3.61Å; Y371-V510 CarbonylContact O-C 3.6Å; Y371-V510 WeakPolarHBondContact O-CA 3.41Å; Y371-L511 PolarHBondContact N-O 2.86Å; Y371-L511 PolarHBondContact O-N 2.66Å; Y371-F513 HydrophobicContact CD2-CD2 4.05Å; Y371-F513 AromaticContact CD2-CE2 3.73Å; Y371-F513 HydrophobicContact CD2-CE2 3.73Å; Y371-F513 AromaticContact CE2-CD2 3.99Å; Y371-F513 HydrophobicContact CE2-CD2 3.99Å; Y371-F513 AromaticContact CE2-CE2 3.81Å; Y371-F513 HydrophobicContact CE2-CE2 3.81Å; Y371-T521 WeakPolarHBondContact OH-CB 3.21Å; Y371-T521 PolarHBondContact OH-O 3.15Å; Y371-T521 PolarHBondContact OH-OG1 3.49Å; Y371-A522 WeakPolarHBondContact OH-CA 3.31Å; Y371-A522 PolarHBondContact OH-N 3.14Å; Y371-E523 HydrophobicContact CD1-CB 4.24Å; Y371-E523 HydrophobicContact CE1-CB 4.27Å
372	E	93.4	Very high	83.1	Confident	62 Å²	62	49.9 Å²	49.9	29%	0.29	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	137.6	168.7	-67.3	-168.3	-132.1	0	0	110	K24 L370 K426	K24-E372 IonicContact NZ-OE1 2.66Å; K24-E372 PolarHBondContact NZ-OE1 3.24Å; L370-E372 HydrophobicContact CD2-CG 4.32Å; E372-K426 IonicContact OE2-NZ 3.61Å; E372-K426 PolarHBondContact OE2-NZ 3.02Å
373	G	93.3	Very high	85.7	Confident	4 Å²	4	43.8 Å²	43.8	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	167.5	-180	0	0	0	0	0	113.1	F509	G373-F509 VanDerWaalsContact C-CD1 3.44Å; G373-F509 PolarHBondContact N-O 2.89Å; G373-F509 PolarHBondContact O-N 2.74Å
374	T	94.2	Very high	87.8	Confident	25 Å²	25	41.9 Å²	41.9	15%	0.153	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.5	-173.8	47.3	0	0	0	0	109.3	T380 P395 D508 F509 E657	T374-T380 WeakPolarHBondContact O-CB 3.42Å; T374-T380 PolarHBondContact O-OG1 2.92Å; T374-T380 VanDerWaalsContact O-OG1 3.11Å; T374-P395 WeakPolarHBondContact O-CG 3.47Å; T374-D508 WeakPolarHBondContact CG2-OD1 3.47Å; T374-F509 VanDerWaalsContact N-CE1 3.32Å; T374-E657 PolarHBondContact OG1-OE1 3.01Å; T374-E657 PolarHBondContact OG1-OE2 3.1Å
375	W	94.6	Very high	89.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.8	160.5	-57	-62.8	0	0	0	107.1	A381 L423 I441 P498 T500 K505 E506 G507 F509	W375-A381 HydrophobicContact CB-CB 4.07Å; W375-L423 HydrophobicContact CH2-CD1 4.12Å; W375-L423 HydrophobicContact CH2-CD2 4.19Å; W375-L423 HydrophobicContact CH2-CG 4.42Å; W375-L423 HydrophobicContact CZ2-CD1 4.25Å; W375-L423 HydrophobicContact CZ2-CD2 4.22Å; W375-I441 HydrophobicContact CH2-CB 4.44Å; W375-I441 HydrophobicContact CH2-CG2 3.84Å; W375-I441 HydrophobicContact CZ3-CG2 3.96Å; W375-P498 HydrophobicContact CZ2-CB 4.23Å; W375-P498 PolarHBondContact NE1-O 2.85Å; W375-P498 VanDerWaalsContact NE1-O 3.16Å; W375-T500 HydrophobicContact CD2-CG2 4.12Å; W375-T500 HydrophobicContact CE3-CG2 3.84Å; W375-T500 HydrophobicContact CZ3-CG2 4.07Å; W375-K505 WeakPolarHBondContact CB-O 3.49Å; W375-E506 VanDerWaalsContact O-CA 3.31Å; W375-E506 WeakPolarHBondContact O-CA 3.24Å; W375-G507 PolarHBondContact N-O 3.35Å; W375-G507 PolarHBondContact O-N 2.94Å; W375-F509 AromaticContact CD2-CD1 3.62Å; W375-F509 HydrophobicContact CD2-CD1 3.62Å; W375-F509 AromaticContact CD2-CE1 3.93Å; W375-F509 HydrophobicContact CD2-CE1 3.93Å; W375-F509 AromaticContact CE2-CD1 3.44Å; W375-F509 VanDerWaalsContact CE2-CD1 3.44Å; W375-F509 AromaticContact CE2-CE1 3.52Å; W375-F509 HydrophobicContact CE3-CB 4.5Å; W375-F509 AromaticContact CE3-CD1 3.79Å; W375-F509 HydrophobicContact CE3-CD1 3.79Å; W375-F509 HydrophobicContact CG-CD1 4.32Å; W375-F509 HydrophobicContact CG-CE1 4.26Å; W375-F509 HydrophobicContact CH2-CB 3.71Å; W375-F509 AromaticContact CH2-CD1 3.7Å; W375-F509 HydrophobicContact CH2-CD1 3.7Å; W375-F509 HydrophobicContact CH2-CE1 4.49Å; W375-F509 AromaticContact CH2-CG 3.83Å; W375-F509 HydrophobicContact CH2-CG 3.83Å; W375-F509 HydrophobicContact CZ2-CB 4.31Å; W375-F509 AromaticContact CZ2-CD1 3.5Å; W375-F509 HydrophobicContact CZ2-CD1 3.5Å; W375-F509 AromaticContact CZ2-CE1 3.85Å; W375-F509 HydrophobicContact CZ2-CE1 3.85Å; W375-F509 AromaticContact CZ2-CG 3.92Å; W375-F509 HydrophobicContact CZ2-CG 3.92Å; W375-F509 HydrophobicContact CZ3-CB 3.82Å; W375-F509 AromaticContact CZ3-CD1 3.84Å; W375-F509 HydrophobicContact CZ3-CD1 3.84Å; W375-F509 HydrophobicContact CZ3-CG 4.17Å; W375-F509 AromaticContact NE1-CE1 3.6Å
376	R	90.9	Very high	91.1	Very high	72 Å²	72	38.8 Å²	38.8	27%	0.272	19%	0.186	S	C	.	.			trans	-123.1	135.6	178.2	-65	-63.1	-178.6	-94.2	0.7	110	G378 S379 T380 A381 G507 D508 E657	R376-G378 PolarHBondContact O-N 3.24Å; R376-S379 PolarHBondContact O-N 2.96Å; R376-S379 VanDerWaalsContact O-N 3.12Å; R376-T380 PolarHBondContact N-OG1 2.93Å; R376-T380 PolarHBondContact O-N 2.89Å; R376-T380 VanDerWaalsContact O-N 3.08Å; R376-A381 VanDerWaalsContact O-CB 3.23Å; R376-A381 WeakPolarHBondContact O-CB 3.32Å; R376-A381 PolarHBondContact O-N 2.8Å; R376-G507 PolarHBondContact NH1-O 3.05Å; R376-D508 IonicContact CZ-OD1 3.57Å; R376-D508 IonicContact NH1-OD1 2.72Å; R376-D508 PolarHBondContact NH1-OD1 2.7Å; R376-D508 IonicContact NH2-OD1 2.61Å; R376-D508 PolarHBondContact NH2-OD1 2.74Å; R376-D508 IonicContact NH2-OD2 3.79Å; R376-E657 HydrophobicContact CB-CG 4.19Å; R376-E657 HydrophobicContact CG-CG 4.01Å; R376-E657 WeakPolarHBondContact CG-OE1 3.43Å
377	R	89.2	Confident	92.2	Very high	130 Å²	130	41 Å²	41	49%	0.491	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	135.6	-177.4	-161.8	-177.5	164.6	-177.3	-5.9	110.1	S379 N504 E506 L668	R377-S379 PolarHBondContact O-N 3.28Å; R377-S379 VanDerWaalsContact O-N 3.13Å; R377-N504 HydrophobicContact CG-CB 3.79Å; R377-N504 WeakPolarHBondContact CG-OD1 3.21Å; R377-E506 HydrophobicContact CB-CG 3.87Å; R377-E506 WeakPolarHBondContact CB-OE1 3.44Å; R377-E506 PolarHBondContact N-OE1 2.98Å; R377-E506 VanDerWaalsContact N-OE1 3.14Å; R377-L668 HydrophobicContact CB-CD1 4.2Å; R377-L668 HydrophobicContact CG-CD1 3.54Å
378	G	82.5	Confident	92.8	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.031	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	-21.4	-176.3	0	0	0	0	0	115.8	R376 A637 Y638	R376-G378 PolarHBondContact O-N 3.24Å; G378-A637 VanDerWaalsContact C-CB 3.49Å; G378-A637 CarbonylContact O-C 3.56Å; G378-A637 WeakPolarHBondContact O-CB 3.42Å; G378-Y638 WeakPolarHBondContact O-CE1 3.33Å
379	S	86.5	Confident	92.9	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.098	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-76.4	-178.7	-173.3	0	0	0	0	111.9	R376 R377 V393	R376-S379 PolarHBondContact O-N 2.96Å; R376-S379 VanDerWaalsContact O-N 3.12Å; R377-S379 PolarHBondContact O-N 3.28Å; R377-S379 VanDerWaalsContact O-N 3.13Å; S379-V393 WeakPolarHBondContact O-CG2 3.27Å
380	T	92	Very high	93	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-8.4	-170.5	47.9	0	0	0	0	113.6	T374 R376 G382 N394 K653 E657	T374-T380 WeakPolarHBondContact O-CB 3.42Å; T374-T380 PolarHBondContact O-OG1 2.92Å; T374-T380 VanDerWaalsContact O-OG1 3.11Å; R376-T380 PolarHBondContact N-OG1 2.93Å; R376-T380 PolarHBondContact O-N 2.89Å; R376-T380 VanDerWaalsContact O-N 3.08Å; T380-G382 VanDerWaalsContact C-N 3.33Å; T380-G382 PolarHBondContact O-N 2.87Å; T380-N394 WeakPolarHBondContact O-CA 3.23Å; T380-N394 PolarHBondContact O-OD1 2.98Å; T380-K653 HydrophobicContact CG2-CB 4.26Å; T380-E657 HydrophobicContact CG2-CG 4.17Å; T380-E657 WeakPolarHBondContact CG2-OE1 3.27Å; T380-E657 PolarHBondContact OG1-OE1 3.14Å
381	A	94	Very high	93.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.			trans	-81.2	71.1	179.1	0	0	0	0	0	112.5	W375 R376 N504 K505	W375-A381 HydrophobicContact CB-CB 4.07Å; R376-A381 VanDerWaalsContact O-CB 3.23Å; R376-A381 WeakPolarHBondContact O-CB 3.32Å; R376-A381 PolarHBondContact O-N 2.8Å; A381-N504 PolarHBondContact O-N 2.8Å; A381-K505 VanDerWaalsContact CB-O 3.3Å; A381-K505 WeakPolarHBondContact CB-O 3.48Å
382	G	94.9	Very high	93.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.			trans	-80.7	-16.1	-171.3	0	0	0	0	0	116.3	T380 T390 F391 N394	T380-G382 VanDerWaalsContact C-N 3.33Å; T380-G382 PolarHBondContact O-N 2.87Å; G382-T390 VanDerWaalsContact CA-O 3.24Å; G382-T390 WeakPolarHBondContact CA-O 3.3Å; G382-T390 CarbonylContact O-C 3.58Å; G382-T390 VanDerWaalsContact O-CB 3.3Å; G382-T390 WeakPolarHBondContact O-CB 3.45Å; G382-T390 PolarHBondContact O-OG1 3.4Å; G382-F391 PolarHBondContact O-N 2.87Å; G382-N394 PolarHBondContact N-OD1 3Å; G382-N394 VanDerWaalsContact N-OD1 3.12Å
383	G	97	Very high	93.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.			trans	71	-177.1	-171.6	0	0	0	0	0	112.2	F391 N394 S499 T500	G383-F391 WeakPolarHBondContact O-CD2 3.47Å; G383-N394 PolarHBondContact O-ND2 2.78Å; G383-S499 WeakPolarHBondContact O-CB 3.45Å; G383-T500 CarbonylContact C-O 3.57Å; G383-T500 VanDerWaalsContact C-O 3.23Å; G383-T500 WeakPolarHBondContact CA-O 3.41Å
384	C	97.6	Very high	93.2	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.027	16%	0.163	C	C	.	.			trans	-82.5	179.9	-175.7	77.7	0	0	0	0	113.2	N386 Y387 F477 T500 F501	C384-N386 PolarHBondContact O-N 3.02Å; C384-Y387 PolarHBondContact O-N 2.91Å; C384-F477 HydrophobicContact CB-CD1 4.44Å; C384-F477 HydrophobicContact CB-CE1 3.69Å; C384-F477 HydrophobicContact CB-CE2 4.18Å; C384-F477 HydrophobicContact CB-CZ 3.55Å; C384-T500 PolarHBondContact N-O 3.16Å; C384-F501 PolarHBondContact N-O 3.02Å; C384-F501 PolarHBondContact SG-O 3.1Å
385	R	96.2	Very high	93.3	Very high	79 Å²	79	31.6 Å²	31.6	30%	0.298	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-17.4	-176.6	-174.4	57.9	-175.7	78	1.6	114.6	Y387 F391 Y446 F465	R385-Y387 PolarHBondContact O-N 3.11Å; R385-F391 HydrophobicContact CB-CD2 4.4Å; R385-F391 HydrophobicContact CB-CE2 4.35Å; R385-F391 HydrophobicContact CB-CZ 4.43Å; R385-Y446 VanDerWaalsContact CD-OH 3.28Å; R385-Y446 WeakPolarHBondContact CD-OH 3.32Å; R385-F465 VanDerWaalsContact CZ-O 3.25Å; R385-F465 PolarHBondContact NE-O 3.1Å; R385-F465 VanDerWaalsContact NE-O 3.16Å; R385-F465 PolarHBondContact NH2-O 2.87Å
386	N	96.3	Very high	93.3	Very high	115 Å²	115	31.6 Å²	31.6	62%	0.615	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.2	172.8	-63	-13.2	0	0	0	112.8	C384 P388	C384-N386 PolarHBondContact O-N 3.02Å; N386-P388 WeakPolarHBondContact O-CD 3.41Å
387	Y	95.9	Very high	93.5	Very high	81 Å²	81	28.2 Å²	28.2	32%	0.318	14%	0.144	S	C	.	.			trans	-112.3	67.7	177.8	-57.9	-84.5	0	0	0	110.3	C384 R385 A389 T390 F391 F501 P503	C384-Y387 PolarHBondContact O-N 2.91Å; R385-Y387 PolarHBondContact O-N 3.11Å; Y387-A389 PolarHBondContact O-N 2.82Å; Y387-A389 VanDerWaalsContact O-N 3.08Å; Y387-T390 PolarHBondContact O-N 2.89Å; Y387-T390 PolarHBondContact O-OG1 2.86Å; Y387-F391 WeakPolarHBondContact O-CB 3.26Å; Y387-F391 PolarHBondContact O-N 3.31Å; Y387-F501 VanDerWaalsContact CE2-O 3.23Å; Y387-F501 WeakPolarHBondContact CE2-O 3.26Å; Y387-P503 HydrophobicContact CD1-CG 4.01Å; Y387-P503 HydrophobicContact CE1-CG 4.26Å; Y387-P503 HydrophobicContact CG-CG 4.18Å
388	P	94.2	Very high	93.8	Very high	53 Å²	53	23.5 Å²	23.5	34%	0.344	13%	0.127	S	C	.	.	H	α-helix	trans	-61.2	-24.4	-171.9	24.5	-34.8	0	0	0	114.1	N386 T390 L466	N386-P388 WeakPolarHBondContact O-CD 3.41Å; P388-T390 PolarHBondContact O-N 2.69Å; P388-L466 HydrophobicContact CB-CD2 3.79Å
389	A	90.2	Very high	94.3	Very high	69 Å²	69	23.4 Å²	23.4	57%	0.57	13%	0.126	S	C	*	.	H	α-helix	trans	-60.2	-33.1	176.5	0	0	0	0	0	112.5	Y387 W392	Y387-A389 PolarHBondContact O-N 2.82Å; Y387-A389 VanDerWaalsContact O-N 3.08Å; A389-W392 PolarHBondContact O-NE1 3.34Å
390	T	92.7	Very high	94.7	Very high	19 Å²	19	28.3 Å²	28.3	12%	0.117	14%	0.142	C	C	.	.	H	α-helix	trans	-123.6	-18.4	-171.6	52.1	0	0	0	0	113.3	G382 Y387 P388 W392 V393 Y638	G382-T390 VanDerWaalsContact CA-O 3.24Å; G382-T390 WeakPolarHBondContact CA-O 3.3Å; G382-T390 CarbonylContact O-C 3.58Å; G382-T390 VanDerWaalsContact O-CB 3.3Å; G382-T390 WeakPolarHBondContact O-CB 3.45Å; G382-T390 PolarHBondContact O-OG1 3.4Å; Y387-T390 PolarHBondContact O-N 2.89Å; Y387-T390 PolarHBondContact O-OG1 2.86Å; P388-T390 PolarHBondContact O-N 2.69Å; T390-W392 PolarHBondContact O-N 3.14Å; T390-V393 WeakPolarHBondContact O-CG2 3.3Å; T390-V393 PolarHBondContact O-N 3.44Å; T390-Y638 HydrophobicContact CG2-CD2 3.94Å; T390-Y638 HydrophobicContact CG2-CE1 4.23Å; T390-Y638 HydrophobicContact CG2-CE2 3.45Å; T390-Y638 VanDerWaalsContact CG2-CE2 3.45Å
391	F	96.1	Very high	94.9	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.013	14%	0.143	C	C	.	.	H	α-helix	trans	-50	-39.8	-177.6	175.7	-110.2	0	0	0	113.8	G382 G383 R385 Y387 V393 N394 A444 Y446 F465 V497	G382-F391 PolarHBondContact O-N 2.87Å; G383-F391 WeakPolarHBondContact O-CD2 3.47Å; R385-F391 HydrophobicContact CB-CD2 4.4Å; R385-F391 HydrophobicContact CB-CE2 4.35Å; R385-F391 HydrophobicContact CB-CZ 4.43Å; Y387-F391 WeakPolarHBondContact O-CB 3.26Å; Y387-F391 PolarHBondContact O-N 3.31Å; F391-V393 PolarHBondContact O-N 2.88Å; F391-V393 VanDerWaalsContact O-N 3.16Å; F391-N394 PolarHBondContact O-N 3.18Å; F391-N394 PolarHBondContact O-ND2 2.61Å; F391-A444 HydrophobicContact CZ-CB 4.28Å; F391-Y446 AromaticContact CE1-CE2 3.98Å; F391-Y446 HydrophobicContact CE1-CE2 3.98Å; F391-Y446 HydrophobicContact CZ-CE2 4.1Å; F391-F465 HydrophobicContact CD1-CB 4.15Å; F391-F465 HydrophobicContact CD1-CD1 4.06Å; F391-F465 HydrophobicContact CD1-CD2 4.31Å; F391-F465 AromaticContact CD1-CG 3.9Å; F391-F465 HydrophobicContact CD1-CG 3.9Å; F391-F465 HydrophobicContact CE1-CB 4.39Å; F391-F465 AromaticContact CE1-CD1 3.57Å; F391-F465 HydrophobicContact CE1-CD1 3.57Å; F391-F465 AromaticContact CE1-CE1 3.91Å; F391-F465 HydrophobicContact CE1-CE1 3.91Å; F391-F465 AromaticContact CE1-CG 3.92Å; F391-F465 HydrophobicContact CE1-CG 3.92Å; F391-V497 HydrophobicContact CD2-CG1 4.46Å; F391-V497 HydrophobicContact CE1-CB 4.39Å; F391-V497 HydrophobicContact CE1-CG1 4.19Å; F391-V497 HydrophobicContact CE1-CG2 4.41Å; F391-V497 HydrophobicContact CE2-CB 4.22Å; F391-V497 HydrophobicContact CE2-CG1 3.71Å; F391-V497 HydrophobicContact CZ-CB 3.69Å; F391-V497 HydrophobicContact CZ-CG1 3.56Å; F391-V497 HydrophobicContact CZ-CG2 4.15Å
392	W	94.1	Very high	94.8	Very high	12 Å²	12	32.4 Å²	32.4	5%	0.045	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.7	-177.3	68.3	-83.5	0	0	0	113.8	A389 T390 Q396 H459 K461 R462 F465 M642	A389-W392 PolarHBondContact O-NE1 3.34Å; T390-W392 PolarHBondContact O-N 3.14Å; W392-Q396 PolarHBondContact O-NE2 3.19Å; W392-H459 PolarHBondContact O-NE2 2.58Å; W392-K461 HydrophobicContact CE3-CB 4.49Å; W392-K461 HydrophobicContact CE3-CD 4.05Å; W392-K461 HydrophobicContact CZ3-CD 3.72Å; W392-R462 HydrophobicContact CD2-CB 4.34Å; W392-R462 HydrophobicContact CG-CB 3.9Å; W392-F465 HydrophobicContact CB-CD2 3.54Å; W392-F465 HydrophobicContact CB-CE2 3.63Å; W392-M642 HydrophobicContact CH2-CG 4.18Å; W392-M642 HydrophobicContact CH2-SD 4.31Å; W392-M642 HydrophobicContact CZ2-SD 4.24Å
393	V	92.6	Very high	94.6	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.6	-178.1	-50.2	0	0	0	0	113.4	S379 T390 F391 Y638	S379-V393 WeakPolarHBondContact O-CG2 3.27Å; T390-V393 WeakPolarHBondContact O-CG2 3.3Å; T390-V393 PolarHBondContact O-N 3.44Å; F391-V393 PolarHBondContact O-N 2.88Å; F391-V393 VanDerWaalsContact O-N 3.16Å; V393-Y638 HydrophobicContact CB-CD1 4.2Å; V393-Y638 HydrophobicContact CB-CE1 4.23Å; V393-Y638 HydrophobicContact CG1-CD1 3.7Å; V393-Y638 HydrophobicContact CG1-CE1 4.14Å; V393-Y638 HydrophobicContact CG2-CD1 3.99Å; V393-Y638 HydrophobicContact CG2-CE1 3.52Å
394	N	95.7	Very high	94.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-58.3	152.3	172.6	-68.6	-69.9	0	0	0	110.2	T380 G382 G383 F391 Q396 H459 V497	T380-N394 WeakPolarHBondContact O-CA 3.23Å; T380-N394 PolarHBondContact O-OD1 2.98Å; G382-N394 PolarHBondContact N-OD1 3Å; G382-N394 VanDerWaalsContact N-OD1 3.12Å; G383-N394 PolarHBondContact O-ND2 2.78Å; F391-N394 PolarHBondContact O-N 3.18Å; F391-N394 PolarHBondContact O-ND2 2.61Å; N394-Q396 WeakPolarHBondContact O-CG 3.48Å; N394-H459 PolarHBondContact O-CE1 3.47Å; N394-V497 HydrophobicContact CB-CG1 3.74Å
395	P	95.3	Very high	93.5	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.019	21%	0.207	C	C	.	.			trans	-55	146.1	171.5	-24.4	35.7	0	0	0	111.3	T374 F397 P498 F509 K653	T374-P395 WeakPolarHBondContact O-CG 3.47Å; P395-F397 HydrophobicContact CB-CE2 3.87Å; P395-F397 HydrophobicContact CB-CZ 4.13Å; P395-P498 WeakPolarHBondContact O-CD 3.5Å; P395-F509 HydrophobicContact CB-CZ 4.04Å; P395-F509 HydrophobicContact CG-CE1 4.04Å; P395-F509 HydrophobicContact CG-CZ 3.9Å; P395-K653 HydrophobicContact CB-CD 4.48Å; P395-K653 HydrophobicContact CG-CD 4.47Å
396	Q	95.9	Very high	92.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145	-176.2	-59.7	179.4	13.4	0	0	109.6	W392 N394 H459 L460 V495 V497 L524	W392-Q396 PolarHBondContact O-NE2 3.19Å; N394-Q396 WeakPolarHBondContact O-CG 3.48Å; Q396-H459 PolarHBondContact NE2-CE1 3.16Å; Q396-H459 PolarHBondContact NE2-NE2 3.03Å; Q396-H459 VanDerWaalsContact NE2-NE2 3.14Å; Q396-L460 PolarHBondContact NE2-O 3.28Å; Q396-L460 VanDerWaalsContact OE1-CB 3.26Å; Q396-V495 HydrophobicContact CB-CG1 4.18Å; Q396-V497 HydrophobicContact CG-CG2 4.3Å; Q396-L524 HydrophobicContact CB-CB 3.78Å; Q396-L524 HydrophobicContact CB-CD1 4.26Å; Q396-L524 PolarHBondContact O-N 2.84Å
397	F	95.6	Very high	91.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	135.8	-178.4	-58	-90	0	0	0	109.9	Y371 P395 V495 V496 P498 F509 L511 F513 A522 E523	Y371-F397 HydrophobicContact CD1-CD1 4.06Å; Y371-F397 AromaticContact CD1-CE1 3.94Å; Y371-F397 HydrophobicContact CD1-CE1 3.94Å; Y371-F397 AromaticContact CD2-CD1 3.96Å; Y371-F397 HydrophobicContact CD2-CD1 3.96Å; Y371-F397 HydrophobicContact CD2-CE1 4.29Å; Y371-F397 AromaticContact CG-CD1 3.7Å; Y371-F397 HydrophobicContact CG-CD1 3.7Å; Y371-F397 AromaticContact CG-CE1 3.61Å; Y371-F397 HydrophobicContact CG-CE1 3.61Å; P395-F397 HydrophobicContact CB-CE2 3.87Å; P395-F397 HydrophobicContact CB-CZ 4.13Å; F397-V495 CarbonylContact O-C 3.59Å; F397-V495 WeakPolarHBondContact O-CA 3.27Å; F397-V496 HydrophobicContact CB-CB 4.38Å; F397-V496 PolarHBondContact N-O 3.29Å; F397-V496 PolarHBondContact O-N 3.08Å; F397-P498 HydrophobicContact CD2-CG 3.99Å; F397-P498 HydrophobicContact CE2-CG 3.64Å; F397-F509 HydrophobicContact CE2-CE2 4.05Å; F397-F509 HydrophobicContact CE2-CZ 4.16Å; F397-F509 HydrophobicContact CZ-CE2 4.17Å; F397-F509 HydrophobicContact CZ-CZ 4.34Å; F397-L511 HydrophobicContact CB-CD2 3.95Å; F397-L511 HydrophobicContact CD1-CD2 4.27Å; F397-L511 HydrophobicContact CD2-CD2 3.31Å; F397-L511 HydrophobicContact CE2-CD2 3.83Å; F397-L511 HydrophobicContact CG-CD2 3.56Å; F397-L511 HydrophobicContact CZ-CD2 4.5Å; F397-F513 HydrophobicContact CB-CE2 4.38Å; F397-F513 HydrophobicContact CB-CZ 3.99Å; F397-A522 CarbonylContact C-O 3.41Å; F397-A522 WeakPolarHBondContact CA-O 3.46Å; F397-E523 HydrophobicContact CD1-CB 4.06Å; F397-E523 HydrophobicContact CD1-CG 4.17Å; F397-E523 HydrophobicContact CE1-CB 4.07Å; F397-E523 HydrophobicContact CE1-CG 3.88Å
398	K	94	Very high	90	Very high	32 Å²	32	39.1 Å²	39.1	14%	0.139	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	138	174.5	-170.9	164.1	74.5	161.3	0	110.3	E493 Y494 T521 A522 L524	K398-E493 HydrophobicContact CD-CB 4.46Å; K398-E493 WeakPolarHBondContact CD-OE2 3.2Å; K398-E493 IonicContact NZ-OE1 3.41Å; K398-E493 PolarHBondContact NZ-OE1 3.14Å; K398-E493 VanDerWaalsContact NZ-OE1 3.1Å; K398-E493 IonicContact NZ-OE2 3.77Å; K398-E493 PolarHBondContact NZ-OE2 3.28Å; K398-Y494 CarbonylContact C-O 3.48Å; K398-Y494 VanDerWaalsContact CA-O 3.3Å; K398-Y494 WeakPolarHBondContact CA-O 3.3Å; K398-T521 CarbonylContact O-C 3.38Å; K398-T521 VanDerWaalsContact O-CA 3.27Å; K398-T521 WeakPolarHBondContact O-CA 3.33Å; K398-A522 PolarHBondContact N-O 2.89Å; K398-A522 PolarHBondContact O-N 2.97Å; K398-L524 HydrophobicContact CB-CD1 4.08Å; K398-L524 HydrophobicContact CB-CD2 3.92Å; K398-L524 HydrophobicContact CB-CG 3.86Å; K398-L524 HydrophobicContact CD-CD2 4.42Å
399	I	94.6	Very high	88.1	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.2	164.1	-176.8	175.4	0	0	0	109	L401 F419 E493 Y494 V496 F513 A519 G520 T521	I399-L401 HydrophobicContact CD1-CD2 3.66Å; I399-L401 HydrophobicContact CD1-CG 4.28Å; I399-L401 HydrophobicContact CG1-CD2 3.89Å; I399-L401 HydrophobicContact CG1-CG 4.21Å; I399-F419 HydrophobicContact CD1-CD1 4.38Å; I399-F419 HydrophobicContact CD1-CD2 3.8Å; I399-F419 HydrophobicContact CD1-CE2 4.03Å; I399-F419 HydrophobicContact CD1-CG 3.98Å; I399-F419 HydrophobicContact CD1-CZ 4.43Å; I399-E493 WeakPolarHBondContact O-CA 3.47Å; I399-Y494 HydrophobicContact CG2-CD2 4.48Å; I399-Y494 PolarHBondContact N-O 3.25Å; I399-Y494 PolarHBondContact O-N 3.42Å; I399-V496 HydrophobicContact CG2-CG2 4.29Å; I399-F513 HydrophobicContact CB-CD1 4.39Å; I399-F513 HydrophobicContact CB-CE1 4.03Å; I399-F513 HydrophobicContact CD1-CD1 3.84Å; I399-F513 HydrophobicContact CD1-CE1 4.26Å; I399-F513 HydrophobicContact CG1-CD1 4.49Å; I399-F513 HydrophobicContact CG2-CE1 4.42Å; I399-A519 HydrophobicContact CD1-CB 4.42Å; I399-A519 HydrophobicContact CG1-CB 4.28Å; I399-G520 CarbonylContact C-O 3.39Å; I399-G520 WeakPolarHBondContact CA-O 3.39Å; I399-T521 HydrophobicContact CB-CG2 4.37Å; I399-T521 HydrophobicContact CG1-CG2 4.13Å
400	R	94.7	Very high	86.4	Confident	116 Å²	116	48.5 Å²	48.5	44%	0.438	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.2	175.6	178.4	176.6	168.6	169.6	-0.1	108.5	D402 E493 A519 G520	R400-D402 IonicContact CZ-OD1 2.71Å; R400-D402 IonicContact CZ-OD2 2.99Å; R400-D402 IonicContact NE-OD1 3.2Å; R400-D402 PolarHBondContact NE-OD1 3.33Å; R400-D402 IonicContact NE-OD2 3.66Å; R400-D402 PolarHBondContact NE-OD2 3.48Å; R400-D402 VanDerWaalsContact NE-OD2 3.14Å; R400-D402 IonicContact NH2-OD1 3.6Å; R400-D402 PolarHBondContact NH2-OD1 2.9Å; R400-D402 IonicContact NH2-OD2 3.41Å; R400-E493 HydrophobicContact CB-CG 4.2Å; R400-E493 HydrophobicContact CG-CG 4.06Å; R400-A519 WeakPolarHBondContact O-CA 3.33Å; R400-G520 PolarHBondContact N-O 3.43Å; R400-G520 PolarHBondContact O-N 2.84Å
401	L	94.7	Very high	84.6	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111.6	-179.9	-60.1	175.6	0	0	0	107.9	I399 C417 F419 L489 P491 G492 Y494 A519	I399-L401 HydrophobicContact CD1-CD2 3.66Å; I399-L401 HydrophobicContact CD1-CG 4.28Å; I399-L401 HydrophobicContact CG1-CD2 3.89Å; I399-L401 HydrophobicContact CG1-CG 4.21Å; L401-C417 HydrophobicContact CB-CB 3.81Å; L401-C417 HydrophobicContact CD1-CB 3.9Å; L401-C417 HydrophobicContact CD2-CB 4.11Å; L401-C417 HydrophobicContact CG-CB 4.15Å; L401-F419 HydrophobicContact CD1-CD1 3.85Å; L401-F419 HydrophobicContact CD1-CE1 3.67Å; L401-F419 HydrophobicContact CD2-CD1 4.2Å; L401-L489 HydrophobicContact CD1-CB 4.05Å; L401-P491 CarbonylContact O-C 3.56Å; L401-P491 WeakPolarHBondContact O-CA 3.49Å; L401-P491 WeakPolarHBondContact O-CB 3.17Å; L401-G492 PolarHBondContact N-O 2.81Å; L401-G492 PolarHBondContact O-N 3.05Å; L401-Y494 HydrophobicContact CD1-CD2 4.01Å; L401-Y494 HydrophobicContact CD1-CE2 3.79Å; L401-Y494 HydrophobicContact CG-CD2 4.42Å; L401-Y494 HydrophobicContact CG-CE2 4.4Å; L401-A519 HydrophobicContact CD2-CB 3.97Å
402	D	92.2	Very high	82.8	Confident	83 Å²	83	58 Å²	58	44%	0.444	31%	0.309	S	S	.	.			trans	-104.9	-46.1	-177.4	-65.3	-65.4	0	0	0	111.9	R400	R400-D402 IonicContact CZ-OD1 2.71Å; R400-D402 IonicContact CZ-OD2 2.99Å; R400-D402 IonicContact NE-OD1 3.2Å; R400-D402 PolarHBondContact NE-OD1 3.33Å; R400-D402 IonicContact NE-OD2 3.66Å; R400-D402 PolarHBondContact NE-OD2 3.48Å; R400-D402 VanDerWaalsContact NE-OD2 3.14Å; R400-D402 IonicContact NH2-OD1 3.6Å; R400-D402 PolarHBondContact NH2-OD1 2.9Å; R400-D402 IonicContact NH2-OD2 3.41Å
403	E	90.8	Very high	81.4	Confident	116 Å²	116	64.2 Å²	64.2	54%	0.542	33%	0.332	S	S	.	.	S	Bend	trans	-101.9	128.8	-174.4	-69.2	178.9	-160.9	0	0	111.9	C417 K517	E403-C417 VanDerWaalsContact C-SG 3.57Å; E403-C417 PolarHBondContact O-SG 3.33Å; E403-K517 HydrophobicContact CB-CB 3.91Å; E403-K517 HydrophobicContact CB-CG 4.02Å
404	T	89.3	Confident	80.4	Confident	53 Å²	53	72.5 Å²	72.5	33%	0.325	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-74.4	155.2	172.1	56.3	0	0	0	0	111.3	P491	T404-P491 HydrophobicContact CG2-CG 3.6Å
405	D	82.7	Confident	79.8	Confident	10 Å²	10	76.7 Å²	76.7	5%	0.053	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-67.2	156.4	179.8	-51.6	-33.9	0	0	0	111.5	G416 S418 R488	D405-G416 PolarHBondContact N-O 3.05Å; D405-S418 PolarHBondContact OD1-N 3.28Å; D405-S418 WeakPolarHBondContact OD2-CB 3.47Å; D405-S418 PolarHBondContact OD2-N 3.05Å; D405-S418 PolarHBondContact OD2-OG 2.78Å; D405-R488 IonicContact OD2-CZ 3.76Å; D405-R488 IonicContact OD2-NH1 3.4Å; D405-R488 PolarHBondContact OD2-NH1 2.81Å
406	D	80.2	Confident	79.4	Confident	68 Å²	68	76.6 Å²	76.6	36%	0.364	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-62.2	140.2	173.8	-58.3	-32.7	0	0	0	109.3	R364 D408 K517	R364-D406 IonicContact CZ-OD2 2.79Å; R364-D406 VanDerWaalsContact CZ-OD2 3.3Å; R364-D406 IonicContact NH1-OD2 3.26Å; R364-D406 IonicContact NH2-OD2 3.75Å; R364-D406 PolarHBondContact NH2-OD2 3.24Å; D406-D408 PolarHBondContact O-N 3.31Å; D406-K517 VanDerWaalsContact CG-NZ 3.31Å; D406-K517 IonicContact OD1-NZ 3.93Å; D406-K517 PolarHBondContact OD1-NZ 2.81Å; D406-K517 IonicContact OD2-NZ 2.85Å; D406-K517 PolarHBondContact OD2-NZ 3.14Å
407	P	70.3	Confident	79.2	Confident	125 Å²	125	76.8 Å²	76.8	81%	0.812	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-56.7	131.5	175.7	21.4	-30.2	0	0	0	110
408	D	64.8	Low	78.8	Confident	48 Å²	48	77.4 Å²	77.4	26%	0.257	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-78.1	151.1	175.1	50.3	-15.9	0	0	0	110.9	D406 Y410 G411 R413	D406-D408 PolarHBondContact O-N 3.31Å; D408-Y410 PolarHBondContact O-N 2.8Å; D408-G411 PolarHBondContact O-N 3.34Å; D408-G411 VanDerWaalsContact O-N 3.09Å; D408-R413 WeakPolarHBondContact OD2-CD 3.43Å; D408-R413 WeakPolarHBondContact OD2-CG 3.38Å; D408-R413 IonicContact OD2-CZ 3.13Å; D408-R413 IonicContact OD2-NE 3.41Å; D408-R413 PolarHBondContact OD2-NE 3.11Å; D408-R413 IonicContact OD2-NH1 3.01Å
409	D	52.9	Low	78.7	Confident	164 Å²	164	75.9 Å²	75.9	88%	0.877	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-14	-179.8	-67.2	-40.3	0	0	0	113.4
410	Y	56.2	Low	78.5	Confident	155 Å²	155	75.8 Å²	75.8	61%	0.608	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.5	-176.6	-61.8	-72.7	0	0	0	114.9	D408 D412	D408-Y410 PolarHBondContact O-N 2.8Å; Y410-D412 PolarHBondContact O-N 3.17Å
411	G	53.5	Low	78.5	Confident	64 Å²	64	70.3 Å²	70.3	66%	0.66	38%	0.378	S	S	*	.			trans	61.8	-10.6	162.4	0	0	0	0	0	119.2	D408	D408-G411 PolarHBondContact O-N 3.34Å; D408-G411 VanDerWaalsContact O-N 3.09Å
412	D	58.3	Low	78.6	Confident	159 Å²	159	70 Å²	70	85%	0.85	38%	0.376	S	S	*	.			trans	-100.9	-1.4	-167.8	-80.1	-17.3	0	0	0	114.3	Y410	Y410-D412 PolarHBondContact O-N 3.17Å
413	R	64.4	Low	78.8	Confident	141 Å²	141	66 Å²	66	53%	0.532	36%	0.355	S	S	.	.	S	Bend	trans	-93	128.5	-179.6	-62.4	-171	-174.1	168.1	1.2	111.2	D233 D408 S415	D233-R413 IonicContact OD2-NH2 2.8Å; D233-R413 PolarHBondContact OD2-NH2 3.41Å; D408-R413 WeakPolarHBondContact OD2-CD 3.43Å; D408-R413 WeakPolarHBondContact OD2-CG 3.38Å; D408-R413 IonicContact OD2-CZ 3.13Å; D408-R413 IonicContact OD2-NE 3.41Å; D408-R413 PolarHBondContact OD2-NE 3.11Å; D408-R413 IonicContact OD2-NH1 3.01Å; R413-S415 PolarHBondContact O-N 3.36Å
414	E	72.5	Confident	79.1	Confident	177 Å²	177	60.5 Å²	60.5	83%	0.827	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-52.1	139.6	173.4	-71.6	-176	166.8	0	0	110.9	G416 R488	E414-G416 PolarHBondContact O-N 3.46Å; E414-R488 PolarHBondContact O-NE 2.94Å; E414-R488 PolarHBondContact O-NH2 2.94Å
415	S	82.4	Confident	79.5	Confident	89 Å²	89	58 Å²	58	62%	0.622	31%	0.314	S	S	*	.	S	Bend	trans	-63.4	133.3	177.6	-175.4	0	0	0	0	110.7	R413	R413-S415 PolarHBondContact O-N 3.36Å
416	G	88.1	Confident	80.1	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.01	32%	0.315	C	S	.	.			trans	-174.2	173	-177.7	0	0	0	0	0	111.8	D405 E414	D405-G416 PolarHBondContact N-O 3.05Å; E414-G416 PolarHBondContact O-N 3.46Å
417	C	91.5	Very high	80.5	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.027	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.8	179	-54.5	0	0	0	0	108.8	L401 E403 R488 L489	L401-C417 HydrophobicContact CB-CB 3.81Å; L401-C417 HydrophobicContact CD1-CB 3.9Å; L401-C417 HydrophobicContact CD2-CB 4.11Å; L401-C417 HydrophobicContact CG-CB 4.15Å; E403-C417 VanDerWaalsContact C-SG 3.57Å; E403-C417 PolarHBondContact O-SG 3.33Å; C417-R488 WeakPolarHBondContact O-CA 3.44Å; C417-L489 WeakPolarHBondContact CB-O 3.5Å; C417-L489 PolarHBondContact N-O 3.16Å; C417-L489 PolarHBondContact O-N 3.48Å; C417-L489 VanDerWaalsContact O-N 3.16Å
418	S	87.8	Confident	81.5	Confident	13 Å²	13	53.5 Å²	53.5	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.4	178.8	-61.4	0	0	0	0	112	D405 F487 R488 E516	D405-S418 PolarHBondContact OD1-N 3.28Å; D405-S418 WeakPolarHBondContact OD2-CB 3.47Å; D405-S418 PolarHBondContact OD2-N 3.05Å; D405-S418 PolarHBondContact OD2-OG 2.78Å; S418-F487 WeakPolarHBondContact CA-O 3.33Å; S418-R488 PolarHBondContact OG-NH1 3.32Å; S418-E516 PolarHBondContact O-N 3.15Å; S418-E516 VanDerWaalsContact O-N 3.17Å
419	F	90.5	Very high	82.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154.8	172.5	68.5	-77.9	0	0	0	111.4	I399 L401 L421 F487 L489 F514	I399-F419 HydrophobicContact CD1-CD1 4.38Å; I399-F419 HydrophobicContact CD1-CD2 3.8Å; I399-F419 HydrophobicContact CD1-CE2 4.03Å; I399-F419 HydrophobicContact CD1-CG 3.98Å; I399-F419 HydrophobicContact CD1-CZ 4.43Å; L401-F419 HydrophobicContact CD1-CD1 3.85Å; L401-F419 HydrophobicContact CD1-CE1 3.67Å; L401-F419 HydrophobicContact CD2-CD1 4.2Å; F419-L421 HydrophobicContact CD2-CB 4.43Å; F419-L421 HydrophobicContact CE2-CB 4.21Å; F419-F487 HydrophobicContact CD1-CB 4.18Å; F419-F487 HydrophobicContact CD2-CD2 4.49Å; F419-F487 HydrophobicContact CE1-CB 3.6Å; F419-F487 HydrophobicContact CE2-CB 4.2Å; F419-F487 AromaticContact CE2-CD2 3.74Å; F419-F487 HydrophobicContact CE2-CD2 3.74Å; F419-F487 HydrophobicContact CE2-CG 4.42Å; F419-F487 HydrophobicContact CZ-CB 3.62Å; F419-F487 AromaticContact CZ-CD2 3.8Å; F419-F487 HydrophobicContact CZ-CD2 3.8Å; F419-F487 HydrophobicContact CZ-CG 4.07Å; F419-F487 PolarHBondContact N-O 3.14Å; F419-F487 PolarHBondContact O-N 2.98Å; F419-L489 HydrophobicContact CE1-CB 4.35Å; F419-L489 HydrophobicContact CE1-CD1 3.8Å; F419-L489 HydrophobicContact CE1-CG 4.01Å; F419-L489 HydrophobicContact CZ-CD1 3.86Å; F419-L489 HydrophobicContact CZ-CG 4.48Å; F419-F514 CarbonylContact C-O 3.36Å; F419-F514 WeakPolarHBondContact CA-O 3.45Å; F419-F514 WeakPolarHBondContact CB-O 3.46Å
420	V	91.6	Very high	84.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.9	170	-173.5	0	0	0	0	107.7	V221 E223 R486 F514	V221-V420 HydrophobicContact CG2-CG1 3.84Å; E223-V420 HydrophobicContact CG-CG1 4.44Å; V420-R486 HydrophobicContact CG2-CB 4.25Å; V420-R486 HydrophobicContact CG2-CG 4.48Å; V420-F514 HydrophobicContact CB-CB 4.16Å; V420-F514 PolarHBondContact N-O 2.9Å; V420-F514 PolarHBondContact O-N 3.26Å
421	L	94.8	Very high	85.9	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.2	172.9	-174.2	62.6	0	0	0	108.5	F419 F443 V445 S484 T485 F487 V496 L511 F513	F419-L421 HydrophobicContact CD2-CB 4.43Å; F419-L421 HydrophobicContact CE2-CB 4.21Å; L421-F443 HydrophobicContact CB-CE2 4.23Å; L421-F443 HydrophobicContact CB-CZ 4.02Å; L421-F443 HydrophobicContact CD2-CD1 4.31Å; L421-F443 HydrophobicContact CD2-CD2 3.38Å; L421-F443 HydrophobicContact CD2-CE1 4.3Å; L421-F443 HydrophobicContact CD2-CE2 3.41Å; L421-F443 VanDerWaalsContact CD2-CE2 3.41Å; L421-F443 HydrophobicContact CD2-CG 3.87Å; L421-F443 HydrophobicContact CD2-CZ 3.88Å; L421-F443 HydrophobicContact CG-CD1 4.47Å; L421-F443 HydrophobicContact CG-CD2 4.28Å; L421-F443 HydrophobicContact CG-CE1 4.19Å; L421-F443 HydrophobicContact CG-CE2 4.04Å; L421-F443 HydrophobicContact CG-CZ 3.97Å; L421-V445 HydrophobicContact CD2-CG2 4.09Å; L421-S484 CarbonylContact O-C 3.57Å; L421-S484 VanDerWaalsContact O-CA 3.26Å; L421-S484 WeakPolarHBondContact O-CA 3.37Å; L421-T485 PolarHBondContact N-O 2.8Å; L421-T485 PolarHBondContact O-N 2.72Å; L421-F487 HydrophobicContact CB-CD2 4.26Å; L421-F487 HydrophobicContact CB-CE2 4.03Å; L421-F487 HydrophobicContact CD2-CE2 4.35Å; L421-V496 HydrophobicContact CD1-CG1 4.23Å; L421-V496 HydrophobicContact CD1-CG2 4.48Å; L421-V496 HydrophobicContact CD2-CB 4.32Å; L421-V496 HydrophobicContact CD2-CG1 3.42Å; L421-V496 VanDerWaalsContact CD2-CG1 3.42Å; L421-V496 HydrophobicContact CD2-CG2 3.91Å; L421-V496 HydrophobicContact CG-CG1 4.36Å; L421-L511 HydrophobicContact CD1-CD1 3.69Å; L421-L511 HydrophobicContact CD1-CD2 4.41Å; L421-L511 HydrophobicContact CD1-CG 4.07Å; L421-L511 HydrophobicContact CG-CD1 4.16Å; L421-F513 HydrophobicContact CD1-CD1 3.49Å; L421-F513 VanDerWaalsContact CD1-CD1 3.49Å; L421-F513 HydrophobicContact CD1-CE1 3.33Å; L421-F513 HydrophobicContact CD1-CE2 4.39Å; L421-F513 HydrophobicContact CD1-CG 4.15Å; L421-F513 HydrophobicContact CD1-CZ 3.81Å
422	A	95.8	Very high	87.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.3	-174.9	0	0	0	0	0	110.9	V221 E482 L511 R512 F514	V221-A422 HydrophobicContact CG2-CB 3.85Å; A422-E482 HydrophobicContact CB-CG 4.35Å; A422-E482 WeakPolarHBondContact CB-OE1 3.29Å; A422-L511 CarbonylContact O-C 3.6Å; A422-L511 WeakPolarHBondContact O-CA 3.47Å; A422-R512 HydrophobicContact CB-CB 4.25Å; A422-R512 PolarHBondContact N-O 3.12Å; A422-R512 PolarHBondContact O-N 2.71Å; A422-F514 HydrophobicContact CB-CE2 4.43Å
423	L	97.5	Very high	88.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113.2	179.8	174.4	63.1	0	0	0	109.8	W375 I441 G442 F443 E482 V483 P498 F509 L511	W375-L423 HydrophobicContact CH2-CD1 4.12Å; W375-L423 HydrophobicContact CH2-CD2 4.19Å; W375-L423 HydrophobicContact CH2-CG 4.42Å; W375-L423 HydrophobicContact CZ2-CD1 4.25Å; W375-L423 HydrophobicContact CZ2-CD2 4.22Å; L423-I441 HydrophobicContact CD2-CB 4.27Å; L423-I441 HydrophobicContact CG-CD1 4.3Å; L423-I441 WeakPolarHBondContact O-CD1 3.47Å; L423-G442 WeakPolarHBondContact CD2-O 3.48Å; L423-F443 HydrophobicContact CB-CD1 3.79Å; L423-F443 HydrophobicContact CB-CE1 4.26Å; L423-F443 HydrophobicContact CD2-CB 4.47Å; L423-F443 HydrophobicContact CD2-CD1 4.22Å; L423-E482 CarbonylContact O-C 3.52Å; L423-E482 VanDerWaalsContact O-CA 3.3Å; L423-E482 WeakPolarHBondContact O-CA 3.18Å; L423-V483 PolarHBondContact N-O 3.33Å; L423-V483 PolarHBondContact O-N 3.14Å; L423-P498 HydrophobicContact CD1-CB 3.59Å; L423-P498 HydrophobicContact CD2-CB 3.68Å; L423-P498 HydrophobicContact CG-CB 4.23Å; L423-F509 HydrophobicContact CD1-CB 3.94Å; L423-F509 HydrophobicContact CD1-CD2 3.48Å; L423-F509 VanDerWaalsContact CD1-CD2 3.48Å; L423-F509 HydrophobicContact CD1-CE2 4.18Å; L423-F509 HydrophobicContact CD1-CG 3.87Å; L423-L511 HydrophobicContact CB-CD1 4.12Å; L423-L511 HydrophobicContact CD1-CD1 4.25Å
424	M	97.1	Very high	90.1	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128	-177.8	-171.9	-178	-65	0	0	111.7	W154 F156 E215 R481 E482 F509 V510	W154-M424 HydrophobicContact CH2-CE 3.88Å; W154-M424 HydrophobicContact CH2-SD 4.08Å; W154-M424 HydrophobicContact CZ3-CE 3.69Å; W154-M424 HydrophobicContact CZ3-SD 3.78Å; F156-M424 HydrophobicContact CD1-CG 4.21Å; F156-M424 HydrophobicContact CD1-SD 3.61Å; F156-M424 HydrophobicContact CE1-CG 4.49Å; F156-M424 HydrophobicContact CE1-SD 4.05Å; E215-M424 HydrophobicContact CB-CE 4.28Å; E215-M424 HydrophobicContact CG-CE 4.19Å; E215-M424 WeakPolarHBondContact OE2-CE 3.28Å; M424-R481 CarbonylContact C-O 3.51Å; M424-R481 VanDerWaalsContact CA-O 3.32Å; M424-R481 WeakPolarHBondContact CA-O 3.47Å; M424-R481 HydrophobicContact CG-CG 4.16Å; M424-E482 HydrophobicContact CB-CB 4.19Å; M424-E482 HydrophobicContact CB-CG 4.38Å; M424-E482 HydrophobicContact CE-CB 4.22Å; M424-E482 WeakPolarHBondContact CE-OE2 3.38Å; M424-E482 HydrophobicContact CG-CB 4.24Å; M424-F509 CarbonylContact O-C 3.51Å; M424-F509 WeakPolarHBondContact O-CA 3.47Å; M424-F509 VanDerWaalsContact O-CB 3.29Å; M424-F509 WeakPolarHBondContact O-CB 3.33Å; M424-V510 HydrophobicContact CB-CB 4.49Å; M424-V510 PolarHBondContact N-O 2.78Å; M424-V510 PolarHBondContact O-N 3.5Å
425	Q	96.9	Very high	90.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	140.9	170.9	64	-175.6	-56.1	0	0	112	R428 M438 E439 I441 L480 R481 D508	Q425-R428 HydrophobicContact CG-CG 3.93Å; Q425-M438 HydrophobicContact CG-SD 3.91Å; Q425-E439 PolarHBondContact NE2-O 2.75Å; Q425-I441 HydrophobicContact CB-CD1 4.22Å; Q425-I441 HydrophobicContact CG-CD1 4.17Å; Q425-L480 PolarHBondContact NE2-O 3Å; Q425-R481 WeakPolarHBondContact CG-O 3.38Å; Q425-R481 PolarHBondContact N-O 3.49Å; Q425-D508 WeakPolarHBondContact CA-O 3.3Å
426	K	95.1	Very high	91.1	Very high	20 Å²	20	39.8 Å²	39.8	9%	0.087	19%	0.186	C	C	.	.			trans	-94.6	147.5	-170.7	-53.3	175.8	65.1	174.3	0	112.9	F156 E372 R428 D508 V510	F156-K426 HydrophobicContact CB-CD 4Å; F156-K426 HydrophobicContact CB-CG 3.83Å; F156-K426 HydrophobicContact CD1-CB 3.91Å; F156-K426 HydrophobicContact CD1-CG 3.69Å; F156-K426 HydrophobicContact CD2-CB 4.3Å; F156-K426 HydrophobicContact CD2-CG 4.44Å; F156-K426 HydrophobicContact CE1-CB 4.18Å; F156-K426 HydrophobicContact CE1-CG 4.43Å; F156-K426 HydrophobicContact CG-CB 3.98Å; F156-K426 HydrophobicContact CG-CD 4.33Å; F156-K426 HydrophobicContact CG-CG 3.71Å; E372-K426 IonicContact OE2-NZ 3.61Å; E372-K426 PolarHBondContact OE2-NZ 3.02Å; K426-R428 PolarHBondContact O-N 3.18Å; K426-D508 HydrophobicContact CB-CB 4.09Å; K426-D508 HydrophobicContact CD-CB 3.78Å; K426-D508 HydrophobicContact CG-CB 4.19Å; K426-D508 PolarHBondContact N-O 3.29Å; K426-V510 HydrophobicContact CD-CG2 3.88Å; K426-V510 HydrophobicContact CG-CG2 4.12Å
427	H	89.3	Confident	91.1	Very high	75 Å²	75	43.4 Å²	43.4	35%	0.347	21%	0.205	S	C	.	.	S	Bend	trans	60.7	6.5	163.1	-50.9	-53.5	0	0	0	118.7	F156 R429 R430	F156-H427 AromaticContact CD2-CE1 3.47Å; F156-H427 VanDerWaalsContact CD2-CE1 3.47Å; F156-H427 WeakPolarHBondContact CD2-CE1 3.45Å; F156-H427 AromaticContact CD2-ND1 3.81Å; F156-H427 AromaticContact CE2-CE1 3.49Å; F156-H427 VanDerWaalsContact CE2-CE1 3.49Å; F156-H427 WeakPolarHBondContact CE2-CE1 3.45Å; F156-H427 AromaticContact CE2-ND1 3.32Å; F156-H427 VanDerWaalsContact CE2-ND1 3.32Å; F156-H427 WeakPolarHBondContact CE2-ND1 3.47Å; F156-H427 VanDerWaalsContact CZ-N 3.28Å; H427-R429 VanDerWaalsContact C-N 3.33Å; H427-R429 PolarHBondContact O-N 2.92Å; H427-R430 WeakPolarHBondContact O-CB 3.47Å; H427-R430 PolarHBondContact O-N 3.22Å; H427-R430 VanDerWaalsContact O-N 3.1Å
428	R	90.8	Very high	91.1	Very high	14 Å²	14	44.2 Å²	44.2	5%	0.053	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-36.2	-175.1	-66.6	-60.2	-168.7	-164	-1.3	115.2	Q425 K426 R430 E431 M438 E506	Q425-R428 HydrophobicContact CG-CG 3.93Å; K426-R428 PolarHBondContact O-N 3.18Å; R428-R430 PolarHBondContact O-N 2.98Å; R428-E431 WeakPolarHBondContact CD-OE2 3.36Å; R428-E431 IonicContact CZ-OE2 2.75Å; R428-E431 IonicContact NE-OE2 2.9Å; R428-E431 IonicContact NH1-OE2 3.39Å; R428-E431 PolarHBondContact NH1-OE2 2.87Å; R428-E431 WeakPolarHBondContact O-CA 3.24Å; R428-E431 WeakPolarHBondContact O-CB 3.5Å; R428-E431 PolarHBondContact O-N 2.57Å; R428-M438 HydrophobicContact CB-CE 3.91Å; R428-M438 HydrophobicContact CB-SD 3.43Å; R428-M438 WeakPolarHBondContact CB-SD 3.16Å; R428-M438 HydrophobicContact CG-SD 3.67Å; R428-E506 PolarHBondContact NH1-O 3.08Å; R428-E506 PolarHBondContact NH2-O 3.42Å
429	R	89.8	Confident	91.5	Very high	6 Å²	6	45.9 Å²	45.9	2%	0.023	22%	0.215	C	C	.	.	H	α-helix	trans	-57.2	-37.4	177.4	-73.1	-175.3	174.6	-78	-7.5	112.6	W116 N199 S204 G207 E212 H427 E431 R432 M438	W116-R429 VanDerWaalsContact CZ2-CZ 3.46Å; N199-R429 HydrophobicContact CB-CB 4.46Å; N199-R429 WeakPolarHBondContact OD1-CB 3.45Å; N199-R429 WeakPolarHBondContact OD1-CD 3.33Å; S204-R429 PolarHBondContact O-NH1 3.41Å; G207-R429 PolarHBondContact O-NH1 3.14Å; G207-R429 PolarHBondContact O-NH2 3.21Å; E212-R429 IonicContact OE1-CZ 3.43Å; E212-R429 IonicContact OE1-NH2 3.25Å; E212-R429 PolarHBondContact OE1-NH2 2.81Å; E212-R429 IonicContact OE2-CZ 2.97Å; E212-R429 VanDerWaalsContact OE2-CZ 3.26Å; E212-R429 IonicContact OE2-NE 3.32Å; E212-R429 PolarHBondContact OE2-NE 3.45Å; E212-R429 IonicContact OE2-NH2 2.74Å; E212-R429 PolarHBondContact OE2-NH2 3.46Å; H427-R429 VanDerWaalsContact C-N 3.33Å; H427-R429 PolarHBondContact O-N 2.92Å; R429-E431 PolarHBondContact O-N 3.18Å; R429-R432 WeakPolarHBondContact O-CB 3.41Å; R429-R432 PolarHBondContact O-N 2.88Å; R429-M438 HydrophobicContact CG-CE 4.27Å
430	R	87	Confident	91.8	Very high	99 Å²	99	48.3 Å²	48.3	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-68.1	-22.7	177.1	-59.6	-178.9	74.2	-177.3	5.9	112.5	V198 H427 R428 R433	V198-R430 WeakPolarHBondContact O-CD 3.4Å; H427-R430 WeakPolarHBondContact O-CB 3.47Å; H427-R430 PolarHBondContact O-N 3.22Å; H427-R430 VanDerWaalsContact O-N 3.1Å; R428-R430 PolarHBondContact O-N 2.98Å; R430-R433 WeakPolarHBondContact O-CG 3.39Å
431	E	88.6	Confident	92.1	Very high	41 Å²	41	48.3 Å²	48.3	19%	0.192	23%	0.229	C	C	.	.	H	α-helix	trans	-83.6	-11	179.5	-53.6	-164.3	111.2	0	0	113.2	R428 R429 R433 F434 R436	R428-E431 WeakPolarHBondContact CD-OE2 3.36Å; R428-E431 IonicContact CZ-OE2 2.75Å; R428-E431 IonicContact NE-OE2 2.9Å; R428-E431 IonicContact NH1-OE2 3.39Å; R428-E431 PolarHBondContact NH1-OE2 2.87Å; R428-E431 WeakPolarHBondContact O-CA 3.24Å; R428-E431 WeakPolarHBondContact O-CB 3.5Å; R428-E431 PolarHBondContact O-N 2.57Å; R429-E431 PolarHBondContact O-N 3.18Å; E431-R433 PolarHBondContact O-N 3.21Å; E431-F434 WeakPolarHBondContact O-CA 3.39Å; E431-F434 WeakPolarHBondContact O-CB 3.32Å; E431-F434 PolarHBondContact O-N 2.61Å; E431-R436 HydrophobicContact CB-CB 3.8Å; E431-R436 PolarHBondContact O-N 3.02Å; E431-R436 IonicContact OE1-NH1 2.77Å; E431-R436 PolarHBondContact OE1-NH1 3.24Å
432	R	89.1	Confident	92.3	Very high	56 Å²	56	48.3 Å²	48.3	21%	0.211	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-58.7	-30.9	178.6	-74.2	-172.2	170.7	179.1	-0.9	113.9	F70 S206 R429 F434 G435 R436 D437	F70-R432 HydrophobicContact CE1-CB 4.46Å; F70-R432 HydrophobicContact CE2-CB 4.38Å; F70-R432 HydrophobicContact CZ-CB 3.73Å; S206-R432 PolarHBondContact O-NH1 2.78Å; R429-R432 WeakPolarHBondContact O-CB 3.41Å; R429-R432 PolarHBondContact O-N 2.88Å; R432-F434 PolarHBondContact O-N 3.38Å; R432-F434 VanDerWaalsContact O-N 3.1Å; R432-G435 PolarHBondContact O-N 3.45Å; R432-R436 VanDerWaalsContact CA-O 3.25Å; R432-R436 WeakPolarHBondContact CA-O 3.47Å; R432-R436 WeakPolarHBondContact CG-O 3.35Å; R432-R436 PolarHBondContact N-O 3.45Å; R432-D437 IonicContact CZ-OD1 3.22Å; R432-D437 IonicContact NE-OD1 3.86Å; R432-D437 PolarHBondContact NE-OD1 3.15Å; R432-D437 VanDerWaalsContact NE-OD1 3.11Å; R432-D437 IonicContact NH2-OD1 2.68Å; R432-D437 PolarHBondContact NH2-OD1 3.15Å
433	R	87.6	Confident	92.4	Very high	153 Å²	153	48.3 Å²	48.3	58%	0.577	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-60.6	-18.3	172.5	73.1	-174.3	-179.7	172.3	0.3	113.8	F70 R430 E431	F70-R433 HydrophobicContact CB-CB 4.24Å; F70-R433 HydrophobicContact CD1-CB 3.81Å; F70-R433 HydrophobicContact CD2-CB 4.35Å; F70-R433 HydrophobicContact CE1-CB 4.26Å; F70-R433 HydrophobicContact CG-CB 3.87Å; R430-R433 WeakPolarHBondContact O-CG 3.39Å; E431-R433 PolarHBondContact O-N 3.21Å
434	F	88.9	Confident	92.4	Very high	135 Å²	135	48.8 Å²	48.8	59%	0.592	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-104.3	10.9	175.4	-53.4	-62.2	0	0	0	112.7	E431 R432 R436	E431-F434 WeakPolarHBondContact O-CA 3.39Å; E431-F434 WeakPolarHBondContact O-CB 3.32Å; E431-F434 PolarHBondContact O-N 2.61Å; R432-F434 PolarHBondContact O-N 3.38Å; R432-F434 VanDerWaalsContact O-N 3.1Å; F434-R436 VanDerWaalsContact C-N 3.3Å; F434-R436 PolarHBondContact O-N 3.36Å
435	G	87.1	Confident	92.5	Very high	75 Å²	75	48.8 Å²	48.8	77%	0.773	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.8	17.1	-178.7	0	0	0	0	0	114.6	R432	R432-G435 PolarHBondContact O-N 3.45Å
436	R	88.1	Confident	92.5	Very high	144 Å²	144	48.9 Å²	48.9	54%	0.543	23%	0.234	S	C	.	.			trans	-96.1	148.5	174	-59.2	179.6	-178.5	177.3	-4.2	110.2	E431 R432 F434	E431-R436 HydrophobicContact CB-CB 3.8Å; E431-R436 PolarHBondContact O-N 3.02Å; E431-R436 IonicContact OE1-NH1 2.77Å; E431-R436 PolarHBondContact OE1-NH1 3.24Å; R432-R436 VanDerWaalsContact CA-O 3.25Å; R432-R436 WeakPolarHBondContact CA-O 3.47Å; R432-R436 WeakPolarHBondContact CG-O 3.35Å; R432-R436 PolarHBondContact N-O 3.45Å; F434-R436 VanDerWaalsContact C-N 3.3Å; F434-R436 PolarHBondContact O-N 3.36Å
437	D	87.5	Confident	92.5	Very high	76 Å²	76	52.3 Å²	52.3	41%	0.406	25%	0.25	S	S	.	.			trans	-134	-173.1	176.2	-156.4	11.3	0	0	0	110.4	R432 E439	R432-D437 IonicContact CZ-OD1 3.22Å; R432-D437 IonicContact NE-OD1 3.86Å; R432-D437 PolarHBondContact NE-OD1 3.15Å; R432-D437 VanDerWaalsContact NE-OD1 3.11Å; R432-D437 IonicContact NH2-OD1 2.68Å; R432-D437 PolarHBondContact NH2-OD1 3.15Å; D437-E439 PolarHBondContact O-N 2.95Å
438	M	92.8	Very high	92.6	Very high	21 Å²	21	49.5 Å²	49.5	10%	0.103	24%	0.238	C	C	.	.			trans	-54.2	130.4	176.1	-61.8	-64.3	175.9	0	0	111.8	Q425 R428 R429 N479 R481	Q425-M438 HydrophobicContact CG-SD 3.91Å; R428-M438 HydrophobicContact CB-CE 3.91Å; R428-M438 HydrophobicContact CB-SD 3.43Å; R428-M438 WeakPolarHBondContact CB-SD 3.16Å; R428-M438 HydrophobicContact CG-SD 3.67Å; R429-M438 HydrophobicContact CG-CE 4.27Å; M438-N479 HydrophobicContact CB-CB 4.41Å; M438-N479 WeakPolarHBondContact CB-O 3.31Å; M438-R481 HydrophobicContact CE-CB 3.72Å; M438-R481 HydrophobicContact CE-CG 3.92Å; M438-R481 HydrophobicContact SD-CB 4.1Å; M438-R481 HydrophobicContact SD-CG 4.37Å
439	E	95.3	Very high	92.6	Very high	48 Å²	48	49.9 Å²	49.9	22%	0.224	24%	0.243	C	C	.	.			trans	-75.6	153.5	170.1	-67.4	-65.2	168.2	0	0	110.1	Q425 D437 I441 T500 K505	Q425-E439 PolarHBondContact NE2-O 2.75Å; D437-E439 PolarHBondContact O-N 2.95Å; E439-I441 HydrophobicContact CB-CG2 4.43Å; E439-I441 PolarHBondContact O-N 3.41Å; E439-T500 HydrophobicContact CB-CG2 4.27Å; E439-K505 WeakPolarHBondContact OE2-CD 3.44Å; E439-K505 IonicContact OE2-NZ 3.16Å
440	T	97.4	Very high	92.5	Very high	51 Å²	51	55.2 Å²	55.2	31%	0.313	28%	0.278	S	S	.	.			trans	-73.8	112.9	172.5	-48.4	0	0	0	0	109.5	F477 T500 F501	T440-F477 VanDerWaalsContact CG2-C 3.44Å; T440-F477 HydrophobicContact CG2-CB 3.84Å; T440-F477 WeakPolarHBondContact CG2-O 3.13Å; T440-T500 CarbonylContact O-C 3.53Å; T440-T500 WeakPolarHBondContact O-CA 3.48Å; T440-F501 HydrophobicContact CG2-CB 3.9Å; T440-F501 PolarHBondContact O-N 2.77Å
441	I	98.3	Very high	92.4	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	159.4	-175.8	61.3	174.1	0	0	0	111.9	W375 L423 Q425 E439 F477 I478 V483 T500	W375-I441 HydrophobicContact CH2-CB 4.44Å; W375-I441 HydrophobicContact CH2-CG2 3.84Å; W375-I441 HydrophobicContact CZ3-CG2 3.96Å; L423-I441 HydrophobicContact CD2-CB 4.27Å; L423-I441 HydrophobicContact CG-CD1 4.3Å; L423-I441 WeakPolarHBondContact O-CD1 3.47Å; Q425-I441 HydrophobicContact CB-CD1 4.22Å; Q425-I441 HydrophobicContact CG-CD1 4.17Å; E439-I441 HydrophobicContact CB-CG2 4.43Å; E439-I441 PolarHBondContact O-N 3.41Å; I441-F477 VanDerWaalsContact C-CD1 3.48Å; I441-F477 WeakPolarHBondContact O-CA 3.27Å; I441-I478 PolarHBondContact N-O 2.97Å; I441-I478 PolarHBondContact O-N 3.46Å; I441-I478 VanDerWaalsContact O-N 3.09Å; I441-V483 HydrophobicContact CD1-CG2 4.24Å; I441-V483 HydrophobicContact CG1-CG2 3.76Å; I441-T500 HydrophobicContact CG2-CG2 4.15Å
442	G	98.1	Very high	92.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	179.5	176.3	0	0	0	0	0	111.2	L423 S474 S499	L423-G442 WeakPolarHBondContact CD2-O 3.48Å; G442-S474 WeakPolarHBondContact CA-OG 3.31Å; G442-S499 PolarHBondContact N-O 2.77Å; G442-S499 PolarHBondContact O-N 2.72Å
443	F	98.2	Very high	91.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	158	-178.9	54.5	-103.5	0	0	0	111.9	L421 L423 V445 R473 S474 V483 F487 V496 V497 P498	L421-F443 HydrophobicContact CB-CE2 4.23Å; L421-F443 HydrophobicContact CB-CZ 4.02Å; L421-F443 HydrophobicContact CD2-CD1 4.31Å; L421-F443 HydrophobicContact CD2-CD2 3.38Å; L421-F443 HydrophobicContact CD2-CE1 4.3Å; L421-F443 HydrophobicContact CD2-CE2 3.41Å; L421-F443 VanDerWaalsContact CD2-CE2 3.41Å; L421-F443 HydrophobicContact CD2-CG 3.87Å; L421-F443 HydrophobicContact CD2-CZ 3.88Å; L421-F443 HydrophobicContact CG-CD1 4.47Å; L421-F443 HydrophobicContact CG-CD2 4.28Å; L421-F443 HydrophobicContact CG-CE1 4.19Å; L421-F443 HydrophobicContact CG-CE2 4.04Å; L421-F443 HydrophobicContact CG-CZ 3.97Å; L423-F443 HydrophobicContact CB-CD1 3.79Å; L423-F443 HydrophobicContact CB-CE1 4.26Å; L423-F443 HydrophobicContact CD2-CB 4.47Å; L423-F443 HydrophobicContact CD2-CD1 4.22Å; F443-V445 HydrophobicContact CD2-CG2 4.43Å; F443-R473 WeakPolarHBondContact O-CA 3.04Å; F443-R473 WeakPolarHBondContact O-CB 3.27Å; F443-S474 PolarHBondContact N-OG 2.81Å; F443-S474 VanDerWaalsContact N-OG 3.12Å; F443-S474 PolarHBondContact O-N 3.01Å; F443-S474 PolarHBondContact O-OG 2.58Å; F443-V483 HydrophobicContact CE1-CG1 4.22Å; F443-V483 WeakPolarHBondContact CE1-O 3.36Å; F443-F487 AromaticContact CE2-CE2 3.53Å; F443-F487 HydrophobicContact CE2-CE2 3.53Å; F443-F487 AromaticContact CE2-CZ 3.66Å; F443-F487 HydrophobicContact CE2-CZ 3.66Å; F443-F487 HydrophobicContact CZ-CE2 4.05Å; F443-F487 HydrophobicContact CZ-CZ 4.28Å; F443-V496 HydrophobicContact CB-CG1 4.41Å; F443-V497 WeakPolarHBondContact CA-O 3.38Å; F443-P498 HydrophobicContact CB-CB 4.47Å
444	A	98.1	Very high	91.3	Very high	10 Å²	10	55.2 Å²	55.2	8%	0.083	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.6	173.6	0	0	0	0	0	110.6	F391 Y446 V496 V497	F391-A444 HydrophobicContact CZ-CB 4.28Å; A444-Y446 HydrophobicContact CB-CD2 4.47Å; A444-Y446 HydrophobicContact CB-CE2 3.7Å; A444-V496 WeakPolarHBondContact O-CA 3.44Å; A444-V497 PolarHBondContact N-O 3.16Å; A444-V497 VanDerWaalsContact N-O 3.13Å; A444-V497 PolarHBondContact O-N 2.95Å
445	V	98	Very high	90.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.7	-179.1	-171.4	0	0	0	0	109	L421 F443 S470 R471 A472 F487 L489 Y494 V495 V496	L421-V445 HydrophobicContact CD2-CG2 4.09Å; F443-V445 HydrophobicContact CD2-CG2 4.43Å; V445-S470 CarbonylContact O-C 3.47Å; V445-S470 WeakPolarHBondContact O-CA 3.39Å; V445-R471 PolarHBondContact O-N 3.35Å; V445-A472 WeakPolarHBondContact CA-O 3.36Å; V445-A472 HydrophobicContact CB-CB 4.03Å; V445-A472 WeakPolarHBondContact CB-O 3.48Å; V445-A472 HydrophobicContact CG2-CB 4.29Å; V445-A472 PolarHBondContact N-O 2.8Å; V445-A472 PolarHBondContact O-N 3.25Å; V445-A472 VanDerWaalsContact O-O 3.12Å; V445-F487 HydrophobicContact CG2-CE2 4.44Å; V445-L489 HydrophobicContact CG1-CD1 4.31Å; V445-Y494 HydrophobicContact CG1-CD1 4.29Å; V445-Y494 HydrophobicContact CG1-CG 4.32Å; V445-V495 CarbonylContact C-O 3.23Å; V445-V495 VanDerWaalsContact CA-O 3.29Å; V445-V495 WeakPolarHBondContact CA-O 3.47Å; V445-V496 HydrophobicContact CG1-CG2 4.38Å; V445-V496 HydrophobicContact CG2-CG2 4.22Å
446	Y	97	Very high	89.8	Confident	3 Å²	3	53.7 Å²	53.7	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.5	-179.9	-68.7	-93.9	0	0	0	109.8	R385 F391 A444 F464 F465 N468 A469 Y494 V495 V497	R385-Y446 VanDerWaalsContact CD-OH 3.28Å; R385-Y446 WeakPolarHBondContact CD-OH 3.32Å; F391-Y446 AromaticContact CE1-CE2 3.98Å; F391-Y446 HydrophobicContact CE1-CE2 3.98Å; F391-Y446 HydrophobicContact CZ-CE2 4.1Å; A444-Y446 HydrophobicContact CB-CD2 4.47Å; A444-Y446 HydrophobicContact CB-CE2 3.7Å; Y446-F464 HydrophobicContact CD1-CE1 4.26Å; Y446-F464 HydrophobicContact CG-CE1 4.17Å; Y446-F465 HydrophobicContact CD1-CD1 4.43Å; Y446-F465 HydrophobicContact CD2-CD1 4.12Å; Y446-F465 AromaticContact CD2-CE1 3.97Å; Y446-F465 HydrophobicContact CD2-CE1 3.97Å; Y446-F465 HydrophobicContact CE1-CD1 4.17Å; Y446-F465 AromaticContact CE2-CD1 3.84Å; Y446-F465 HydrophobicContact CE2-CD1 3.84Å; Y446-F465 HydrophobicContact CE2-CE1 4Å; Y446-F465 HydrophobicContact CG-CD1 4.42Å; Y446-F465 HydrophobicContact CG-CE1 4.43Å; Y446-F465 AromaticContact CZ-CD1 3.88Å; Y446-N468 HydrophobicContact CD1-CB 4.29Å; Y446-N468 WeakPolarHBondContact CE1-O 3.31Å; Y446-A469 WeakPolarHBondContact CD1-O 3.47Å; Y446-Y494 CarbonylContact O-C 3.56Å; Y446-Y494 WeakPolarHBondContact O-CA 3.11Å; Y446-Y494 WeakPolarHBondContact O-CB 3.45Å; Y446-V495 PolarHBondContact N-O 3.48Å; Y446-V495 PolarHBondContact O-N 2.75Å; Y446-V497 HydrophobicContact CD2-CG2 4.46Å
447	E	95.7	Very high	88.9	Confident	92 Å²	92	48.5 Å²	48.5	43%	0.43	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	135.7	170.3	-170.2	172.5	173.1	0	0	109.3	P449 R471 Y494	E447-P449 WeakPolarHBondContact O-CD 3.43Å; E447-R471 HydrophobicContact CB-CB 4.49Å; E447-R471 IonicContact OE2-NE 2.56Å; E447-Y494 HydrophobicContact CB-CD1 4.07Å; E447-Y494 HydrophobicContact CB-CE1 4.02Å; E447-Y494 HydrophobicContact CG-CD1 4.33Å; E447-Y494 HydrophobicContact CG-CE1 3.96Å
448	V	92	Very high	88.4	Confident	15 Å²	15	48.1 Å²	48.1	9%	0.091	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-76.1	123.9	176.8	176.8	0	0	0	0	108.4	L452 V453 E493 V495	V448-L452 HydrophobicContact CG1-CB 3.72Å; V448-V453 HydrophobicContact CG1-CG2 4.08Å; V448-E493 HydrophobicContact CB-CB 3.93Å; V448-E493 WeakPolarHBondContact CB-O 3.37Å; V448-E493 HydrophobicContact CG2-CB 3.87Å; V448-E493 WeakPolarHBondContact CG2-O 3.35Å; V448-E493 PolarHBondContact N-O 3.11Å; V448-V495 HydrophobicContact CG2-CG2 3.66Å
449	P	90	Very high	88.2	Confident	23 Å²	23	47.5 Å²	47.5	15%	0.149	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-59.5	148.3	177	-22.5	31.2	0	0	0	111.2	E447 E451 L452 V453 F464	E447-P449 WeakPolarHBondContact O-CD 3.43Å; P449-E451 PolarHBondContact O-N 3.32Å; P449-L452 HydrophobicContact CG-CD1 4.48Å; P449-L452 PolarHBondContact O-N 2.83Å; P449-V453 PolarHBondContact O-N 2.77Å; P449-F464 HydrophobicContact CG-CE2 3.76Å
450	P	86.8	Confident	88	Confident	117 Å²	117	46.4 Å²	46.4	76%	0.76	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-32.7	-178.9	-28.4	34.9	0	0	0	114.4	L452 V453	P450-L452 VanDerWaalsContact C-N 3.26Å; P450-L452 PolarHBondContact O-N 2.9Å; P450-V453 PolarHBondContact O-N 2.93Å
451	E	86.1	Confident	87.6	Confident	159 Å²	159	47.2 Å²	47.2	74%	0.743	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.6	179.3	-61.3	146.3	-150.4	0	0	113.5	P449 Q455	P449-E451 PolarHBondContact O-N 3.32Å; E451-Q455 PolarHBondContact O-NE2 2.98Å
452	L	83.2	Confident	87.3	Confident	55 Å²	55	52.7 Å²	52.7	29%	0.288	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-7.3	-175.7	-63.9	179.7	0	0	0	112.9	V448 P449 P450 G454 Q455 L460	V448-L452 HydrophobicContact CG1-CB 3.72Å; P449-L452 HydrophobicContact CG-CD1 4.48Å; P449-L452 PolarHBondContact O-N 2.83Å; P450-L452 VanDerWaalsContact C-N 3.26Å; P450-L452 PolarHBondContact O-N 2.9Å; L452-G454 PolarHBondContact O-N 3.11Å; L452-Q455 WeakPolarHBondContact O-CB 3.36Å; L452-Q455 PolarHBondContact O-N 2.87Å; L452-Q455 VanDerWaalsContact O-N 3.17Å; L452-L460 HydrophobicContact CD1-CD2 4.11Å
453	V	82.3	Confident	87	Confident	77 Å²	77	57.5 Å²	57.5	47%	0.467	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	132.5	-179.8	174.8	0	0	0	0	110.2	V448 P449 P450 Q455 E493	V448-V453 HydrophobicContact CG1-CG2 4.08Å; P449-V453 PolarHBondContact O-N 2.77Å; P450-V453 PolarHBondContact O-N 2.93Å; V453-Q455 PolarHBondContact O-N 3.26Å; V453-E493 HydrophobicContact CG1-CG 4.44Å
454	G	75.8	Confident	86.8	Confident	59 Å²	59	58.8 Å²	58.8	61%	0.608	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	-1.5	179.1	0	0	0	0	0	114.9	L452 E493	L452-G454 PolarHBondContact O-N 3.11Å; G454-E493 PolarHBondContact N-OE2 2.72Å
455	Q	75.3	Confident	86.7	Confident	81 Å²	81	58.5 Å²	58.5	38%	0.379	32%	0.322	S	S	.	.			trans	-67.6	153.4	171.2	-67.4	-163.7	19.4	0	0	111.1	E451 L452 V453	E451-Q455 PolarHBondContact O-NE2 2.98Å; L452-Q455 WeakPolarHBondContact O-CB 3.36Å; L452-Q455 PolarHBondContact O-N 2.87Å; L452-Q455 VanDerWaalsContact O-N 3.17Å; V453-Q455 PolarHBondContact O-N 3.26Å
456	P	68.9	Low	86.6	Confident	96 Å²	96	63 Å²	63	62%	0.623	35%	0.346	S	S	*	.			trans	-55.6	152.9	174.6	-8.8	14.8	0	0	0	110.8	L458	P456-L458 PolarHBondContact O-N 2.85Å
457	A	69.1	Low	86.5	Confident	35 Å²	35	66.8 Å²	66.8	29%	0.289	38%	0.378	S	S	.	.			trans	-53.9	99.7	176.9	0	0	0	0	0	110.6	L524	A457-L524 HydrophobicContact CB-CD2 3.74Å
458	L	78.7	Confident	86.4	Confident	68 Å²	68	65 Å²	65	36%	0.356	37%	0.371	S	S	.	.			trans	-114.2	137.4	178.2	-82.5	155.4	0	0	0	108.1	P456 L460	P456-L458 PolarHBondContact O-N 2.85Å; L458-L460 PolarHBondContact O-N 2.7Å
459	H	87.7	Confident	86.6	Confident	9 Å²	9	68.6 Å²	68.6	4%	0.042	40%	0.402	C	S	.	.			trans	-72.3	114.2	177.6	-171	99.6	0	0	0	110	W392 N394 Q396 K461 D526 R641	W392-H459 PolarHBondContact O-NE2 2.58Å; N394-H459 PolarHBondContact O-CE1 3.47Å; Q396-H459 PolarHBondContact NE2-CE1 3.16Å; Q396-H459 PolarHBondContact NE2-NE2 3.03Å; Q396-H459 VanDerWaalsContact NE2-NE2 3.14Å; H459-K461 WeakPolarHBondContact O-CD 3.35Å; H459-K461 WeakPolarHBondContact O-CE 3.47Å; H459-D526 WeakPolarHBondContact CB-OD2 3.01Å; H459-D526 PolarHBondContact N-OD1 2.75Å; H459-R641 VanDerWaalsContact CB-NH2 3.33Å; H459-R641 PolarHBondContact CD2-NH1 3.42Å; H459-R641 PolarHBondContact CD2-NH2 3.41Å; H459-R641 PolarHBondContact CE1-NH1 3.44Å; H459-R641 VanDerWaalsContact CE1-NH1 3.25Å; H459-R641 PolarHBondContact ND1-NH2 2.87Å; H459-R641 PolarHBondContact NE2-NH1 3.04Å; H459-R641 VanDerWaalsContact NE2-NH1 3.15Å
460	L	91	Very high	86.9	Confident	25 Å²	25	69.5 Å²	69.5	13%	0.131	41%	0.41	C	S	.	.			trans	-68.5	135.1	-177.7	-57.5	179.8	0	0	0	110.7	Q396 L452 L458 F464 F465 V495	Q396-L460 PolarHBondContact NE2-O 3.28Å; Q396-L460 VanDerWaalsContact OE1-CB 3.26Å; L452-L460 HydrophobicContact CD1-CD2 4.11Å; L458-L460 PolarHBondContact O-N 2.7Å; L460-F464 HydrophobicContact CB-CB 4.32Å; L460-F464 HydrophobicContact CB-CD1 4.08Å; L460-F464 HydrophobicContact CB-CG 4.19Å; L460-F464 HydrophobicContact CD1-CD1 3.65Å; L460-F464 HydrophobicContact CD1-CD2 4.21Å; L460-F464 HydrophobicContact CD1-CE1 3.53Å; L460-F464 HydrophobicContact CD1-CE2 4.09Å; L460-F464 HydrophobicContact CD1-CG 4Å; L460-F464 HydrophobicContact CD1-CZ 3.76Å; L460-F464 HydrophobicContact CG-CD1 4.44Å; L460-F465 HydrophobicContact CB-CE2 4Å; L460-F465 HydrophobicContact CB-CZ 3.99Å; L460-V495 HydrophobicContact CD1-CB 4.26Å; L460-V495 HydrophobicContact CD1-CG1 4.21Å; L460-V495 HydrophobicContact CD1-CG2 3.73Å
461	K	89.8	Confident	87.3	Confident	67 Å²	67	70.7 Å²	70.7	29%	0.291	40%	0.399	S	S	.	.			trans	-94.2	173.7	-174.8	-51.1	-58.1	-175.8	-175.8	0	111.5	W392 H459 D463 F464 F465 D526 E645	W392-K461 HydrophobicContact CE3-CB 4.49Å; W392-K461 HydrophobicContact CE3-CD 4.05Å; W392-K461 HydrophobicContact CZ3-CD 3.72Å; H459-K461 WeakPolarHBondContact O-CD 3.35Å; H459-K461 WeakPolarHBondContact O-CE 3.47Å; K461-D463 VanDerWaalsContact C-N 3.28Å; K461-D463 PolarHBondContact O-N 2.9Å; K461-D463 VanDerWaalsContact O-N 3.15Å; K461-F464 WeakPolarHBondContact O-CB 3.47Å; K461-F464 PolarHBondContact O-N 2.69Å; K461-F465 WeakPolarHBondContact O-CD2 3.44Å; K461-D526 IonicContact NZ-OD2 3.31Å; K461-E645 IonicContact NZ-OE1 3.84Å; K461-E645 PolarHBondContact NZ-OE1 2.79Å; K461-E645 IonicContact NZ-OE2 2.69Å; K461-E645 PolarHBondContact NZ-OE2 3.25Å
462	R	92.2	Very high	87.7	Confident	116 Å²	116	63.8 Å²	63.8	44%	0.438	37%	0.369	S	S	.	.	H	α-helix	trans	-45.1	-48.6	-177	-172.4	-175.2	66.1	-170.5	-2.8	114.1	W392 F464 F465 L466	W392-R462 HydrophobicContact CD2-CB 4.34Å; W392-R462 HydrophobicContact CG-CB 3.9Å; R462-F464 VanDerWaalsContact C-N 3.26Å; R462-F464 PolarHBondContact O-N 2.9Å; R462-F465 PolarHBondContact O-N 3.18Å; R462-F465 VanDerWaalsContact O-N 3.11Å; R462-L466 HydrophobicContact CG-CD1 3.95Å; R462-L466 HydrophobicContact CG-CG 4.3Å; R462-L466 PolarHBondContact O-N 3Å; R462-L466 VanDerWaalsContact O-N 3.13Å
463	D	92	Very high	88.3	Confident	101 Å²	101	69.1 Å²	69.1	54%	0.54	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-29.8	-169.8	-60	-15.8	0	0	0	112.1	K461 F465 L466 A467	K461-D463 VanDerWaalsContact C-N 3.28Å; K461-D463 PolarHBondContact O-N 2.9Å; K461-D463 VanDerWaalsContact O-N 3.15Å; D463-F465 PolarHBondContact O-N 2.81Å; D463-L466 PolarHBondContact O-N 2.96Å; D463-A467 WeakPolarHBondContact O-CB 3.38Å; D463-A467 PolarHBondContact O-N 3.02Å
464	F	93.8	Very high	88.9	Confident	26 Å²	26	65.6 Å²	65.6	11%	0.114	36%	0.364	C	S	.	.	H	α-helix	trans	-57.2	-51.2	171.7	172.4	-93.5	0	0	0	111.3	Y446 P449 L460 K461 R462 L466 A467 N468	Y446-F464 HydrophobicContact CD1-CE1 4.26Å; Y446-F464 HydrophobicContact CG-CE1 4.17Å; P449-F464 HydrophobicContact CG-CE2 3.76Å; L460-F464 HydrophobicContact CB-CB 4.32Å; L460-F464 HydrophobicContact CB-CD1 4.08Å; L460-F464 HydrophobicContact CB-CG 4.19Å; L460-F464 HydrophobicContact CD1-CD1 3.65Å; L460-F464 HydrophobicContact CD1-CD2 4.21Å; L460-F464 HydrophobicContact CD1-CE1 3.53Å; L460-F464 HydrophobicContact CD1-CE2 4.09Å; L460-F464 HydrophobicContact CD1-CG 4Å; L460-F464 HydrophobicContact CD1-CZ 3.76Å; L460-F464 HydrophobicContact CG-CD1 4.44Å; K461-F464 WeakPolarHBondContact O-CB 3.47Å; K461-F464 PolarHBondContact O-N 2.69Å; R462-F464 VanDerWaalsContact C-N 3.26Å; R462-F464 PolarHBondContact O-N 2.9Å; F464-L466 VanDerWaalsContact C-N 3.28Å; F464-L466 PolarHBondContact O-N 3.13Å; F464-A467 PolarHBondContact O-N 2.77Å; F464-N468 WeakPolarHBondContact CD2-ND2 3.29Å; F464-N468 HydrophobicContact CE1-CB 4.47Å; F464-N468 HydrophobicContact CE2-CB 4.47Å; F464-N468 WeakPolarHBondContact CE2-ND2 3.34Å; F464-N468 HydrophobicContact CZ-CB 4.25Å; F464-N468 WeakPolarHBondContact O-CB 3.41Å; F464-N468 PolarHBondContact O-N 2.84Å; F464-N468 PolarHBondContact O-ND2 2.89Å
465	F	95.7	Very high	89.4	Confident	5 Å²	5	69.6 Å²	69.6	2%	0.022	37%	0.367	C	S	.	.	H	α-helix	trans	-71.9	-25	-176.8	-61.2	-71.5	0	0	0	112.6	R385 F391 W392 Y446 L460 K461 R462 D463 V497	R385-F465 VanDerWaalsContact CZ-O 3.25Å; R385-F465 PolarHBondContact NE-O 3.1Å; R385-F465 VanDerWaalsContact NE-O 3.16Å; R385-F465 PolarHBondContact NH2-O 2.87Å; F391-F465 HydrophobicContact CD1-CB 4.15Å; F391-F465 HydrophobicContact CD1-CD1 4.06Å; F391-F465 HydrophobicContact CD1-CD2 4.31Å; F391-F465 AromaticContact CD1-CG 3.9Å; F391-F465 HydrophobicContact CD1-CG 3.9Å; F391-F465 HydrophobicContact CE1-CB 4.39Å; F391-F465 AromaticContact CE1-CD1 3.57Å; F391-F465 HydrophobicContact CE1-CD1 3.57Å; F391-F465 AromaticContact CE1-CE1 3.91Å; F391-F465 HydrophobicContact CE1-CE1 3.91Å; F391-F465 AromaticContact CE1-CG 3.92Å; F391-F465 HydrophobicContact CE1-CG 3.92Å; W392-F465 HydrophobicContact CB-CD2 3.54Å; W392-F465 HydrophobicContact CB-CE2 3.63Å; Y446-F465 HydrophobicContact CD1-CD1 4.43Å; Y446-F465 HydrophobicContact CD2-CD1 4.12Å; Y446-F465 AromaticContact CD2-CE1 3.97Å; Y446-F465 HydrophobicContact CD2-CE1 3.97Å; Y446-F465 HydrophobicContact CE1-CD1 4.17Å; Y446-F465 AromaticContact CE2-CD1 3.84Å; Y446-F465 HydrophobicContact CE2-CD1 3.84Å; Y446-F465 HydrophobicContact CE2-CE1 4Å; Y446-F465 HydrophobicContact CG-CD1 4.42Å; Y446-F465 HydrophobicContact CG-CE1 4.43Å; Y446-F465 AromaticContact CZ-CD1 3.88Å; L460-F465 HydrophobicContact CB-CE2 4Å; L460-F465 HydrophobicContact CB-CZ 3.99Å; K461-F465 WeakPolarHBondContact O-CD2 3.44Å; R462-F465 PolarHBondContact O-N 3.18Å; R462-F465 VanDerWaalsContact O-N 3.11Å; D463-F465 PolarHBondContact O-N 2.81Å; F465-V497 HydrophobicContact CE1-CG2 3.73Å; F465-V497 HydrophobicContact CZ-CG2 3.92Å
466	L	95.2	Very high	90.1	Very high	93 Å²	93	71.8 Å²	71.8	49%	0.487	38%	0.377	S	S	.	.	H	α-helix	trans	-71.2	-37.2	171.9	-69.6	177.8	0	0	0	112	P388 R462 D463 F464	P388-L466 HydrophobicContact CB-CD2 3.79Å; R462-L466 HydrophobicContact CG-CD1 3.95Å; R462-L466 HydrophobicContact CG-CG 4.3Å; R462-L466 PolarHBondContact O-N 3Å; R462-L466 VanDerWaalsContact O-N 3.13Å; D463-L466 PolarHBondContact O-N 2.96Å; F464-L466 VanDerWaalsContact C-N 3.28Å; F464-L466 PolarHBondContact O-N 3.13Å
467	A	94.8	Very high	91.3	Very high	83 Å²	83	70 Å²	70	69%	0.686	36%	0.36	S	S	*	.	H	α-helix	trans	-82.9	-26.1	-178.5	0	0	0	0	0	114	D463 F464	D463-A467 WeakPolarHBondContact O-CB 3.38Å; D463-A467 PolarHBondContact O-N 3.02Å; F464-A467 PolarHBondContact O-N 2.77Å
468	N	94.9	Very high	92.5	Very high	55 Å²	55	70.4 Å²	70.4	29%	0.294	36%	0.357	S	S	.	.			trans	-112	141.8	-172.6	-64.9	-82.1	0	0	0	112.6	Y446 F464	Y446-N468 HydrophobicContact CD1-CB 4.29Å; Y446-N468 WeakPolarHBondContact CE1-O 3.31Å; F464-N468 WeakPolarHBondContact CD2-ND2 3.29Å; F464-N468 HydrophobicContact CE1-CB 4.47Å; F464-N468 HydrophobicContact CE2-CB 4.47Å; F464-N468 WeakPolarHBondContact CE2-ND2 3.34Å; F464-N468 HydrophobicContact CZ-CB 4.25Å; F464-N468 WeakPolarHBondContact O-CB 3.41Å; F464-N468 PolarHBondContact O-N 2.84Å; F464-N468 PolarHBondContact O-ND2 2.89Å
469	A	95.5	Very high	93.1	Very high	90 Å²	90	71.6 Å²	71.6	74%	0.744	36%	0.363	S	S	*	.			trans	-88.5	150.7	171.4	0	0	0	0	0	111	Y446 R471	Y446-A469 WeakPolarHBondContact CD1-O 3.47Å; A469-R471 PolarHBondContact O-N 3.06Å
470	S	96.2	Very high	93.3	Very high	43 Å²	43	73.8 Å²	73.8	30%	0.301	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130.1	172.9	58.1	0	0	0	0	110	V445	V445-S470 CarbonylContact O-C 3.47Å; V445-S470 WeakPolarHBondContact O-CA 3.39Å
471	R	95.5	Very high	93.5	Very high	142 Å²	142	73 Å²	73	54%	0.536	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-36.3	173.3	-170.4	72.2	179.5	-178.2	1.4	111.7	V445 E447 A469 L489 Y494	V445-R471 PolarHBondContact O-N 3.35Å; E447-R471 HydrophobicContact CB-CB 4.49Å; E447-R471 IonicContact OE2-NE 2.56Å; A469-R471 PolarHBondContact O-N 3.06Å; R471-L489 HydrophobicContact CG-CD2 3.95Å; R471-Y494 HydrophobicContact CG-CE1 4.14Å
472	A	94.8	Very high	93.7	Very high	14 Å²	14	70.5 Å²	70.5	12%	0.116	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	166.5	176.1	0	0	0	0	0	110.2	V445 F487 L489	V445-A472 WeakPolarHBondContact CA-O 3.36Å; V445-A472 HydrophobicContact CB-CB 4.03Å; V445-A472 WeakPolarHBondContact CB-O 3.48Å; V445-A472 HydrophobicContact CG2-CB 4.29Å; V445-A472 PolarHBondContact N-O 2.8Å; V445-A472 PolarHBondContact O-N 3.25Å; V445-A472 VanDerWaalsContact O-O 3.12Å; A472-F487 HydrophobicContact CB-CD1 3.66Å; A472-F487 HydrophobicContact CB-CE1 3.67Å; A472-F487 HydrophobicContact CB-CG 4.28Å; A472-F487 HydrophobicContact CB-CZ 4.29Å; A472-L489 HydrophobicContact CB-CD2 4.43Å
473	R	95.6	Very high	93.8	Very high	167 Å²	167	65.5 Å²	65.5	63%	0.63	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.9	161	178.5	57.5	-176.3	-178.7	-171.4	0.9	109.7	F443 E475 F487	F443-R473 WeakPolarHBondContact O-CA 3.04Å; F443-R473 WeakPolarHBondContact O-CB 3.27Å; R473-E475 PolarHBondContact O-N 2.87Å; R473-F487 WeakPolarHBondContact O-CE1 3.42Å; R473-F487 WeakPolarHBondContact O-CZ 3.22Å
474	S	93.7	Very high	93.9	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.021	32%	0.32	C	S	.	.			trans	-56.4	139.9	166.1	59.2	0	0	0	0	109.4	G442 F443 Q476	G442-S474 WeakPolarHBondContact CA-OG 3.31Å; F443-S474 PolarHBondContact N-OG 2.81Å; F443-S474 VanDerWaalsContact N-OG 3.12Å; F443-S474 PolarHBondContact O-N 3.01Å; F443-S474 PolarHBondContact O-OG 2.58Å; S474-Q476 PolarHBondContact O-N 2.89Å; S474-Q476 PolarHBondContact OG-O 2.73Å
475	E	86.9	Confident	93.8	Very high	143 Å²	143	60.9 Å²	60.9	67%	0.668	32%	0.32	S	S	*	.	S	Bend	trans	-56.7	-40.2	-175.2	-65.8	-169.5	168.2	0	0	112.1	R473 T485	R473-E475 PolarHBondContact O-N 2.87Å; E475-T485 HydrophobicContact CG-CG2 4.47Å
476	Q	89.2	Confident	93.4	Very high	126 Å²	126	64.9 Å²	64.9	59%	0.589	34%	0.335	S	S	*	.			trans	-139.5	155.4	177.1	-60.9	-176.1	1	0	0	110.1	S474	S474-Q476 PolarHBondContact O-N 2.89Å; S474-Q476 PolarHBondContact OG-O 2.73Å
477	F	95.4	Very high	93.2	Very high	60 Å²	60	61.5 Å²	61.5	26%	0.263	32%	0.316	S	S	.	.			trans	-86.6	119.6	159.8	-91.2	-107.1	0	0	0	107	C384 T440 I441 S499 F501	C384-F477 HydrophobicContact CB-CD1 4.44Å; C384-F477 HydrophobicContact CB-CE1 3.69Å; C384-F477 HydrophobicContact CB-CE2 4.18Å; C384-F477 HydrophobicContact CB-CZ 3.55Å; T440-F477 VanDerWaalsContact CG2-C 3.44Å; T440-F477 HydrophobicContact CG2-CB 3.84Å; T440-F477 WeakPolarHBondContact CG2-O 3.13Å; I441-F477 VanDerWaalsContact C-CD1 3.48Å; I441-F477 WeakPolarHBondContact O-CA 3.27Å; F477-S499 WeakPolarHBondContact CE1-O 3.36Å; F477-S499 WeakPolarHBondContact CZ-OG 3.42Å; F477-F501 HydrophobicContact CB-CB 4.47Å; F477-F501 HydrophobicContact CB-CD2 3.82Å; F477-F501 HydrophobicContact CD1-CB 3.82Å; F477-F501 HydrophobicContact CD1-CD2 4Å; F477-F501 HydrophobicContact CD1-CG 4.44Å; F477-F501 HydrophobicContact CG-CB 4.46Å; F477-F501 AromaticContact CG-CD2 3.9Å; F477-F501 HydrophobicContact CG-CD2 3.9Å
478	I	93.5	Very high	93	Very high	43 Å²	43	61.7 Å²	61.7	22%	0.221	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-137.7	149.9	-171.5	-165.5	170.8	0	0	0	110.8	I441 L480 V483	I441-I478 PolarHBondContact N-O 2.97Å; I441-I478 PolarHBondContact O-N 3.46Å; I441-I478 VanDerWaalsContact O-N 3.09Å; I478-L480 HydrophobicContact CD1-CD1 3.92Å; I478-L480 HydrophobicContact CD1-CG 3.99Å; I478-L480 HydrophobicContact CG1-CD1 4.43Å; I478-L480 HydrophobicContact CG1-CG 4.04Å; I478-L480 HydrophobicContact CG2-CB 4.21Å; I478-L480 HydrophobicContact CG2-CD1 4.08Å; I478-L480 HydrophobicContact CG2-CG 4.03Å; I478-L480 PolarHBondContact O-N 2.73Å; I478-L480 VanDerWaalsContact O-N 3.14Å; I478-V483 HydrophobicContact CG2-CG2 3.44Å; I478-V483 VanDerWaalsContact CG2-CG2 3.44Å
479	N	92.3	Very high	92.9	Very high	92 Å²	92	59.7 Å²	59.7	49%	0.492	29%	0.289	S	S	.	.			trans	-85.2	50.9	178.7	61.7	-32.7	0	0	0	112	M438	M438-N479 HydrophobicContact CB-CB 4.41Å; M438-N479 WeakPolarHBondContact CB-O 3.31Å
480	L	91.7	Very high	92.9	Very high	55 Å²	55	58.2 Å²	58.2	29%	0.288	27%	0.271	S	S	.	.	S	Bend	trans	-101.1	163.6	171	-66.7	179.8	0	0	0	110.7	Q425 I478 E482	Q425-L480 PolarHBondContact NE2-O 3Å; I478-L480 HydrophobicContact CD1-CD1 3.92Å; I478-L480 HydrophobicContact CD1-CG 3.99Å; I478-L480 HydrophobicContact CG1-CD1 4.43Å; I478-L480 HydrophobicContact CG1-CG 4.04Å; I478-L480 HydrophobicContact CG2-CB 4.21Å; I478-L480 HydrophobicContact CG2-CD1 4.08Å; I478-L480 HydrophobicContact CG2-CG 4.03Å; I478-L480 PolarHBondContact O-N 2.73Å; I478-L480 VanDerWaalsContact O-N 3.14Å; L480-E482 WeakPolarHBondContact CB-O 3.45Å
481	R	95	Very high	92.8	Very high	8 Å²	8	59.4 Å²	59.4	3%	0.03	28%	0.278	C	S	.	.	S	Bend	trans	-62.2	-44.7	174.4	-168.3	-179.3	78.3	161.9	14	111.8	E212 E215 D216 M424 Q425 M438	E212-R481 HydrophobicContact CG-CB 3.91Å; E212-R481 PolarHBondContact O-NH2 2.84Å; E212-R481 WeakPolarHBondContact OE2-CD 3.43Å; E212-R481 IonicContact OE2-NE 3.22Å; E215-R481 VanDerWaalsContact CB-NH2 3.32Å; E215-R481 IonicContact OE2-CZ 3.04Å; E215-R481 IonicContact OE2-NE 3.06Å; E215-R481 IonicContact OE2-NH2 2.84Å; E215-R481 PolarHBondContact OE2-NH2 3.36Å; D216-R481 IonicContact OD1-CZ 3.36Å; D216-R481 VanDerWaalsContact OD1-CZ 3.25Å; D216-R481 IonicContact OD1-NH1 3.8Å; D216-R481 PolarHBondContact OD1-NH1 2.75Å; D216-R481 IonicContact OD1-NH2 3.67Å; D216-R481 PolarHBondContact OD1-NH2 2.83Å; D216-R481 IonicContact OD2-CZ 2.99Å; D216-R481 IonicContact OD2-NH1 3.99Å; D216-R481 PolarHBondContact OD2-NH1 2.94Å; M424-R481 CarbonylContact C-O 3.51Å; M424-R481 VanDerWaalsContact CA-O 3.32Å; M424-R481 WeakPolarHBondContact CA-O 3.47Å; M424-R481 HydrophobicContact CG-CG 4.16Å; Q425-R481 WeakPolarHBondContact CG-O 3.38Å; Q425-R481 PolarHBondContact N-O 3.49Å; M438-R481 HydrophobicContact CE-CB 3.72Å; M438-R481 HydrophobicContact CE-CG 3.92Å; M438-R481 HydrophobicContact SD-CB 4.1Å; M438-R481 HydrophobicContact SD-CG 4.37Å
482	E	95	Very high	92.8	Very high	16 Å²	16	53.9 Å²	53.9	8%	0.075	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.1	175.5	178.1	161.8	114.5	0	0	110.5	A422 L423 M424 L480 R512	A422-E482 HydrophobicContact CB-CG 4.35Å; A422-E482 WeakPolarHBondContact CB-OE1 3.29Å; L423-E482 CarbonylContact O-C 3.52Å; L423-E482 VanDerWaalsContact O-CA 3.3Å; L423-E482 WeakPolarHBondContact O-CA 3.18Å; M424-E482 HydrophobicContact CB-CB 4.19Å; M424-E482 HydrophobicContact CB-CG 4.38Å; M424-E482 HydrophobicContact CE-CB 4.22Å; M424-E482 WeakPolarHBondContact CE-OE2 3.38Å; M424-E482 HydrophobicContact CG-CB 4.24Å; L480-E482 WeakPolarHBondContact CB-O 3.45Å; E482-R512 IonicContact OE1-NH2 3.55Å; E482-R512 PolarHBondContact OE1-NH2 3.43Å; E482-R512 IonicContact OE2-CZ 3.13Å; E482-R512 IonicContact OE2-NE 3.94Å; E482-R512 PolarHBondContact OE2-NE 3.08Å; E482-R512 IonicContact OE2-NH2 2.66Å; E482-R512 PolarHBondContact OE2-NH2 3.1Å
483	V	94.1	Very high	92.8	Very high	11 Å²	11	53.9 Å²	53.9	7%	0.067	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.8	165.2	177.9	0	0	0	0	107.2	L423 I441 F443 I478	L423-V483 PolarHBondContact N-O 3.33Å; L423-V483 PolarHBondContact O-N 3.14Å; I441-V483 HydrophobicContact CD1-CG2 4.24Å; I441-V483 HydrophobicContact CG1-CG2 3.76Å; F443-V483 HydrophobicContact CE1-CG1 4.22Å; F443-V483 WeakPolarHBondContact CE1-O 3.36Å; I478-V483 HydrophobicContact CG2-CG2 3.44Å; I478-V483 VanDerWaalsContact CG2-CG2 3.44Å
484	S	93.6	Very high	92.8	Very high	11 Å²	11	46 Å²	46	8%	0.077	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.2	177.5	62.2	0	0	0	0	110.7	T222 L421	T222-S484 VanDerWaalsContact O-CB 3.26Å; T222-S484 WeakPolarHBondContact O-CB 3.05Å; T222-S484 PolarHBondContact O-OG 3.31Å; L421-S484 CarbonylContact O-C 3.57Å; L421-S484 VanDerWaalsContact O-CA 3.26Å; L421-S484 WeakPolarHBondContact O-CA 3.37Å
485	T	90.9	Very high	92.9	Very high	18 Å²	18	45.9 Å²	45.9	11%	0.11	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	133.9	174.1	-51.7	0	0	0	0	109.9	L421 E475 F487	L421-T485 PolarHBondContact N-O 2.8Å; L421-T485 PolarHBondContact O-N 2.72Å; E475-T485 HydrophobicContact CG-CG2 4.47Å; T485-F487 HydrophobicContact CG2-CD1 4.21Å; T485-F487 HydrophobicContact CG2-CE1 3.47Å; T485-F487 VanDerWaalsContact CG2-CE1 3.47Å; T485-F487 HydrophobicContact CG2-CE2 4.03Å; T485-F487 HydrophobicContact CG2-CZ 3.36Å
486	R	88.8	Confident	93.4	Very high	89 Å²	89	39.1 Å²	39.1	34%	0.336	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127.3	171.5	176.6	175.1	-67.8	-74.6	-3.6	109.7	E223 W366 V420	E223-R486 IonicContact OE1-CZ 3.48Å; E223-R486 IonicContact OE1-NE 2.98Å; E223-R486 IonicContact OE1-NH2 2.96Å; E223-R486 PolarHBondContact OE1-NH2 3.16Å; E223-R486 IonicContact OE2-CZ 2.64Å; E223-R486 IonicContact OE2-NE 3.78Å; E223-R486 PolarHBondContact OE2-NE 2.85Å; E223-R486 IonicContact OE2-NH2 3.61Å; E223-R486 PolarHBondContact OE2-NH2 2.97Å; W366-R486 VanDerWaalsContact CH2-NH1 3.29Å; V420-R486 HydrophobicContact CG2-CB 4.25Å; V420-R486 HydrophobicContact CG2-CG 4.48Å
487	F	90	Very high	93.8	Very high	22 Å²	22	33.1 Å²	33.1	10%	0.096	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	153.7	173.9	-61.1	-63.8	0	0	0	111	S418 F419 L421 F443 V445 A472 R473 T485 L489	S418-F487 WeakPolarHBondContact CA-O 3.33Å; F419-F487 HydrophobicContact CD1-CB 4.18Å; F419-F487 HydrophobicContact CD2-CD2 4.49Å; F419-F487 HydrophobicContact CE1-CB 3.6Å; F419-F487 HydrophobicContact CE2-CB 4.2Å; F419-F487 AromaticContact CE2-CD2 3.74Å; F419-F487 HydrophobicContact CE2-CD2 3.74Å; F419-F487 HydrophobicContact CE2-CG 4.42Å; F419-F487 HydrophobicContact CZ-CB 3.62Å; F419-F487 AromaticContact CZ-CD2 3.8Å; F419-F487 HydrophobicContact CZ-CD2 3.8Å; F419-F487 HydrophobicContact CZ-CG 4.07Å; F419-F487 PolarHBondContact N-O 3.14Å; F419-F487 PolarHBondContact O-N 2.98Å; L421-F487 HydrophobicContact CB-CD2 4.26Å; L421-F487 HydrophobicContact CB-CE2 4.03Å; L421-F487 HydrophobicContact CD2-CE2 4.35Å; F443-F487 AromaticContact CE2-CE2 3.53Å; F443-F487 HydrophobicContact CE2-CE2 3.53Å; F443-F487 AromaticContact CE2-CZ 3.66Å; F443-F487 HydrophobicContact CE2-CZ 3.66Å; F443-F487 HydrophobicContact CZ-CE2 4.05Å; F443-F487 HydrophobicContact CZ-CZ 4.28Å; V445-F487 HydrophobicContact CG2-CE2 4.44Å; A472-F487 HydrophobicContact CB-CD1 3.66Å; A472-F487 HydrophobicContact CB-CE1 3.67Å; A472-F487 HydrophobicContact CB-CG 4.28Å; A472-F487 HydrophobicContact CB-CZ 4.29Å; R473-F487 WeakPolarHBondContact O-CE1 3.42Å; R473-F487 WeakPolarHBondContact O-CZ 3.22Å; T485-F487 HydrophobicContact CG2-CD1 4.21Å; T485-F487 HydrophobicContact CG2-CE1 3.47Å; T485-F487 VanDerWaalsContact CG2-CE1 3.47Å; T485-F487 HydrophobicContact CG2-CE2 4.03Å; T485-F487 HydrophobicContact CG2-CZ 3.36Å; F487-L489 HydrophobicContact CB-CG 4.42Å
488	R	89.7	Confident	94	Very high	88 Å²	88	30.2 Å²	30.2	33%	0.332	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	111	166.5	-172.1	175.8	-177.3	89.8	-0.3	106.8	D405 E414 C417 S418	D405-R488 IonicContact OD2-CZ 3.76Å; D405-R488 IonicContact OD2-NH1 3.4Å; D405-R488 PolarHBondContact OD2-NH1 2.81Å; E414-R488 PolarHBondContact O-NE 2.94Å; E414-R488 PolarHBondContact O-NH2 2.94Å; C417-R488 WeakPolarHBondContact O-CA 3.44Å; S418-R488 PolarHBondContact OG-NH1 3.32Å
489	L	94.3	Very high	94.2	Very high	13 Å²	13	28.2 Å²	28.2	7%	0.068	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.3	-177.2	-64.8	179.7	0	0	0	110	L401 C417 F419 V445 R471 A472 F487 Y494	L401-L489 HydrophobicContact CD1-CB 4.05Å; C417-L489 WeakPolarHBondContact CB-O 3.5Å; C417-L489 PolarHBondContact N-O 3.16Å; C417-L489 PolarHBondContact O-N 3.48Å; C417-L489 VanDerWaalsContact O-N 3.16Å; F419-L489 HydrophobicContact CE1-CB 4.35Å; F419-L489 HydrophobicContact CE1-CD1 3.8Å; F419-L489 HydrophobicContact CE1-CG 4.01Å; F419-L489 HydrophobicContact CZ-CD1 3.86Å; F419-L489 HydrophobicContact CZ-CG 4.48Å; V445-L489 HydrophobicContact CG1-CD1 4.31Å; R471-L489 HydrophobicContact CG-CD2 3.95Å; A472-L489 HydrophobicContact CB-CD2 4.43Å; F487-L489 HydrophobicContact CB-CG 4.42Å; L489-Y494 HydrophobicContact CB-CE1 4.4Å; L489-Y494 HydrophobicContact CB-CE2 4.12Å; L489-Y494 HydrophobicContact CD1-CD1 3.88Å; L489-Y494 HydrophobicContact CD1-CD2 4.28Å; L489-Y494 HydrophobicContact CD1-CE1 3.77Å; L489-Y494 HydrophobicContact CD1-CE2 4.18Å; L489-Y494 HydrophobicContact CD1-CG 4.14Å
490	P	94.7	Very high	94.5	Very high	58 Å²	58	23.9 Å²	23.9	38%	0.377	13%	0.126	S	C	.	.			trans	-58.6	157.5	170.1	-22.2	33.3	0	0	0	111.7	G492 Y494	P490-G492 PolarHBondContact O-N 2.95Å; P490-Y494 WeakPolarHBondContact O-CE2 3.41Å; P490-Y494 PolarHBondContact O-OH 2.86Å
491	P	95.3	Very high	94.8	Very high	69 Å²	69	24.8 Å²	24.8	45%	0.448	13%	0.128	S	C	.	.	S	Bend	trans	-51.6	135.8	169	-25.7	34.6	0	0	0	111.6	L401 T404	L401-P491 CarbonylContact O-C 3.56Å; L401-P491 WeakPolarHBondContact O-CA 3.49Å; L401-P491 WeakPolarHBondContact O-CB 3.17Å; T404-P491 HydrophobicContact CG2-CG 3.6Å
492	G	94.2	Very high	94.9	Very high	26 Å²	26	28.7 Å²	28.7	27%	0.268	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	177.1	-174.3	0	0	0	0	0	113.6	L401 P490	L401-G492 PolarHBondContact N-O 2.81Å; L401-G492 PolarHBondContact O-N 3.05Å; P490-G492 PolarHBondContact O-N 2.95Å
493	E	94.8	Very high	94.9	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.065	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.8	171.1	-66.4	-162.3	158.8	0	0	110.4	K398 I399 R400 V448 V453 G454	K398-E493 HydrophobicContact CD-CB 4.46Å; K398-E493 WeakPolarHBondContact CD-OE2 3.2Å; K398-E493 IonicContact NZ-OE1 3.41Å; K398-E493 PolarHBondContact NZ-OE1 3.14Å; K398-E493 VanDerWaalsContact NZ-OE1 3.1Å; K398-E493 IonicContact NZ-OE2 3.77Å; K398-E493 PolarHBondContact NZ-OE2 3.28Å; I399-E493 WeakPolarHBondContact O-CA 3.47Å; R400-E493 HydrophobicContact CB-CG 4.2Å; R400-E493 HydrophobicContact CG-CG 4.06Å; V448-E493 HydrophobicContact CB-CB 3.93Å; V448-E493 WeakPolarHBondContact CB-O 3.37Å; V448-E493 HydrophobicContact CG2-CB 3.87Å; V448-E493 WeakPolarHBondContact CG2-O 3.35Å; V448-E493 PolarHBondContact N-O 3.11Å; V453-E493 HydrophobicContact CG1-CG 4.44Å; G454-E493 PolarHBondContact N-OE2 2.72Å
494	Y	95.9	Very high	94.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.3	-179.3	-56	-91	0	0	0	111.3	K398 I399 L401 V445 Y446 E447 R471 L489 P490	K398-Y494 CarbonylContact C-O 3.48Å; K398-Y494 VanDerWaalsContact CA-O 3.3Å; K398-Y494 WeakPolarHBondContact CA-O 3.3Å; I399-Y494 HydrophobicContact CG2-CD2 4.48Å; I399-Y494 PolarHBondContact N-O 3.25Å; I399-Y494 PolarHBondContact O-N 3.42Å; L401-Y494 HydrophobicContact CD1-CD2 4.01Å; L401-Y494 HydrophobicContact CD1-CE2 3.79Å; L401-Y494 HydrophobicContact CG-CD2 4.42Å; L401-Y494 HydrophobicContact CG-CE2 4.4Å; V445-Y494 HydrophobicContact CG1-CD1 4.29Å; V445-Y494 HydrophobicContact CG1-CG 4.32Å; Y446-Y494 CarbonylContact O-C 3.56Å; Y446-Y494 WeakPolarHBondContact O-CA 3.11Å; Y446-Y494 WeakPolarHBondContact O-CB 3.45Å; E447-Y494 HydrophobicContact CB-CD1 4.07Å; E447-Y494 HydrophobicContact CB-CE1 4.02Å; E447-Y494 HydrophobicContact CG-CD1 4.33Å; E447-Y494 HydrophobicContact CG-CE1 3.96Å; R471-Y494 HydrophobicContact CG-CE1 4.14Å; L489-Y494 HydrophobicContact CB-CE1 4.4Å; L489-Y494 HydrophobicContact CB-CE2 4.12Å; L489-Y494 HydrophobicContact CD1-CD1 3.88Å; L489-Y494 HydrophobicContact CD1-CD2 4.28Å; L489-Y494 HydrophobicContact CD1-CE1 3.77Å; L489-Y494 HydrophobicContact CD1-CE2 4.18Å; L489-Y494 HydrophobicContact CD1-CG 4.14Å; P490-Y494 WeakPolarHBondContact O-CE2 3.41Å; P490-Y494 PolarHBondContact O-OH 2.86Å
495	V	96	Very high	94.9	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.1	173.9	179.3	0	0	0	0	110.6	Q396 F397 V445 Y446 V448 L460 V497 L524	Q396-V495 HydrophobicContact CB-CG1 4.18Å; F397-V495 CarbonylContact O-C 3.59Å; F397-V495 WeakPolarHBondContact O-CA 3.27Å; V445-V495 CarbonylContact C-O 3.23Å; V445-V495 VanDerWaalsContact CA-O 3.29Å; V445-V495 WeakPolarHBondContact CA-O 3.47Å; Y446-V495 PolarHBondContact N-O 3.48Å; Y446-V495 PolarHBondContact O-N 2.75Å; V448-V495 HydrophobicContact CG2-CG2 3.66Å; L460-V495 HydrophobicContact CD1-CB 4.26Å; L460-V495 HydrophobicContact CD1-CG1 4.21Å; L460-V495 HydrophobicContact CD1-CG2 3.73Å; V495-V497 HydrophobicContact CG1-CG2 4.14Å; V495-L524 HydrophobicContact CB-CD1 4.17Å; V495-L524 HydrophobicContact CG1-CD1 3.71Å; V495-L524 HydrophobicContact CG2-CD1 3.49Å; V495-L524 VanDerWaalsContact CG2-CD1 3.49Å
496	V	97.5	Very high	94.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.2	173.9	-177.9	0	0	0	0	109.7	F397 I399 L421 F443 A444 V445 L511 F513	F397-V496 HydrophobicContact CB-CB 4.38Å; F397-V496 PolarHBondContact N-O 3.29Å; F397-V496 PolarHBondContact O-N 3.08Å; I399-V496 HydrophobicContact CG2-CG2 4.29Å; L421-V496 HydrophobicContact CD1-CG1 4.23Å; L421-V496 HydrophobicContact CD1-CG2 4.48Å; L421-V496 HydrophobicContact CD2-CB 4.32Å; L421-V496 HydrophobicContact CD2-CG1 3.42Å; L421-V496 VanDerWaalsContact CD2-CG1 3.42Å; L421-V496 HydrophobicContact CD2-CG2 3.91Å; L421-V496 HydrophobicContact CG-CG1 4.36Å; F443-V496 HydrophobicContact CB-CG1 4.41Å; A444-V496 WeakPolarHBondContact O-CA 3.44Å; V445-V496 HydrophobicContact CG1-CG2 4.38Å; V445-V496 HydrophobicContact CG2-CG2 4.22Å; V496-L511 HydrophobicContact CG1-CD1 4.49Å; V496-L511 HydrophobicContact CG1-CD2 4.01Å; V496-F513 HydrophobicContact CB-CZ 4.4Å; V496-F513 HydrophobicContact CG2-CE1 3.83Å; V496-F513 HydrophobicContact CG2-CZ 4.14Å
497	V	98.1	Very high	95.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	97.5	176.6	-171.2	0	0	0	0	109.3	F391 N394 Q396 F443 A444 Y446 F465 V495	F391-V497 HydrophobicContact CD2-CG1 4.46Å; F391-V497 HydrophobicContact CE1-CB 4.39Å; F391-V497 HydrophobicContact CE1-CG1 4.19Å; F391-V497 HydrophobicContact CE1-CG2 4.41Å; F391-V497 HydrophobicContact CE2-CB 4.22Å; F391-V497 HydrophobicContact CE2-CG1 3.71Å; F391-V497 HydrophobicContact CZ-CB 3.69Å; F391-V497 HydrophobicContact CZ-CG1 3.56Å; F391-V497 HydrophobicContact CZ-CG2 4.15Å; N394-V497 HydrophobicContact CB-CG1 3.74Å; Q396-V497 HydrophobicContact CG-CG2 4.3Å; F443-V497 WeakPolarHBondContact CA-O 3.38Å; A444-V497 PolarHBondContact N-O 3.16Å; A444-V497 VanDerWaalsContact N-O 3.13Å; A444-V497 PolarHBondContact O-N 2.95Å; Y446-V497 HydrophobicContact CD2-CG2 4.46Å; F465-V497 HydrophobicContact CE1-CG2 3.73Å; F465-V497 HydrophobicContact CZ-CG2 3.92Å; V495-V497 HydrophobicContact CG1-CG2 4.14Å
498	P	98.4	Very high	95.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.9	171.4	31.6	-35.9	0	0	0	111.7	W375 P395 F397 L423 F443 F509 L511	W375-P498 HydrophobicContact CZ2-CB 4.23Å; W375-P498 PolarHBondContact NE1-O 2.85Å; W375-P498 VanDerWaalsContact NE1-O 3.16Å; P395-P498 WeakPolarHBondContact O-CD 3.5Å; F397-P498 HydrophobicContact CD2-CG 3.99Å; F397-P498 HydrophobicContact CE2-CG 3.64Å; L423-P498 HydrophobicContact CD1-CB 3.59Å; L423-P498 HydrophobicContact CD2-CB 3.68Å; L423-P498 HydrophobicContact CG-CB 4.23Å; F443-P498 HydrophobicContact CB-CB 4.47Å; P498-F509 HydrophobicContact CB-CE2 4.19Å; P498-F509 HydrophobicContact CB-CZ 4.36Å; P498-F509 HydrophobicContact CG-CE2 3.66Å; P498-F509 HydrophobicContact CG-CZ 3.67Å; P498-L511 HydrophobicContact CG-CD2 4.36Å
499	S	98.4	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	157.9	-177.5	60.3	0	0	0	0	112.4	G383 G442 F477	G383-S499 WeakPolarHBondContact O-CB 3.45Å; G442-S499 PolarHBondContact N-O 2.77Å; G442-S499 PolarHBondContact O-N 2.72Å; F477-S499 WeakPolarHBondContact CE1-O 3.36Å; F477-S499 WeakPolarHBondContact CZ-OG 3.42Å
500	T	98.3	Very high	95.9	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	161.1	156.8	52.1	0	0	0	0	110.2	W375 G383 C384 E439 T440 I441 E502 K505	W375-T500 HydrophobicContact CD2-CG2 4.12Å; W375-T500 HydrophobicContact CE3-CG2 3.84Å; W375-T500 HydrophobicContact CZ3-CG2 4.07Å; G383-T500 CarbonylContact C-O 3.57Å; G383-T500 VanDerWaalsContact C-O 3.23Å; G383-T500 WeakPolarHBondContact CA-O 3.41Å; C384-T500 PolarHBondContact N-O 3.16Å; E439-T500 HydrophobicContact CB-CG2 4.27Å; T440-T500 CarbonylContact O-C 3.53Å; T440-T500 WeakPolarHBondContact O-CA 3.48Å; I441-T500 HydrophobicContact CG2-CG2 4.15Å; T500-E502 PolarHBondContact OG1-O 2.56Å; T500-K505 HydrophobicContact CG2-CB 3.8Å
501	F	98.1	Very high	96	Very high	74 Å²	74	28.7 Å²	28.7	33%	0.325	15%	0.154	S	C	.	.	S	Bend	trans	-63.4	-55.4	176.8	-174.4	-99.8	0	0	0	111	C384 Y387 T440 F477	C384-F501 PolarHBondContact N-O 3.02Å; C384-F501 PolarHBondContact SG-O 3.1Å; Y387-F501 VanDerWaalsContact CE2-O 3.23Å; Y387-F501 WeakPolarHBondContact CE2-O 3.26Å; T440-F501 HydrophobicContact CG2-CB 3.9Å; T440-F501 PolarHBondContact O-N 2.77Å; F477-F501 HydrophobicContact CB-CB 4.47Å; F477-F501 HydrophobicContact CB-CD2 3.82Å; F477-F501 HydrophobicContact CD1-CB 3.82Å; F477-F501 HydrophobicContact CD1-CD2 4Å; F477-F501 HydrophobicContact CD1-CG 4.44Å; F477-F501 HydrophobicContact CG-CB 4.46Å; F477-F501 AromaticContact CG-CD2 3.9Å; F477-F501 HydrophobicContact CG-CD2 3.9Å
502	E	97.6	Very high	96	Very high	91 Å²	91	25.6 Å²	25.6	43%	0.425	13%	0.133	S	C	.	.	S	Bend	trans	-88.7	148.6	176.4	-59.5	-173.7	151.2	0	0	111.3	T500 K505	T500-E502 PolarHBondContact OG1-O 2.56Å; E502-K505 HydrophobicContact CB-CG 4.19Å; E502-K505 WeakPolarHBondContact OE2-CE 3Å; E502-K505 IonicContact OE2-NZ 3.29Å; E502-K505 PolarHBondContact OE2-NZ 3.22Å
503	P	94.7	Very high	96	Very high	28 Å²	28	24.5 Å²	24.5	18%	0.182	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	169.4	170.4	31.1	-35.5	0	0	0	111.1	Y387 K505	Y387-P503 HydrophobicContact CD1-CG 4.01Å; Y387-P503 HydrophobicContact CE1-CG 4.26Å; Y387-P503 HydrophobicContact CG-CG 4.18Å; P503-K505 PolarHBondContact O-N 2.94Å
504	N	92.5	Very high	95.8	Very high	70 Å²	70	23.9 Å²	23.9	37%	0.374	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	7.7	175.8	-63.4	-51.9	0	0	0	116	R377 A381	R377-N504 HydrophobicContact CG-CB 3.79Å; R377-N504 WeakPolarHBondContact CG-OD1 3.21Å; A381-N504 PolarHBondContact O-N 2.8Å
505	K	94.5	Very high	95.5	Very high	64 Å²	64	24.2 Å²	24.2	28%	0.278	12%	0.12	S	C	.	.			trans	-80.1	125.2	170.1	-60.1	-61.3	-173.2	160	0	109.6	W375 A381 E439 T500 E502 P503	W375-K505 WeakPolarHBondContact CB-O 3.49Å; A381-K505 VanDerWaalsContact CB-O 3.3Å; A381-K505 WeakPolarHBondContact CB-O 3.48Å; E439-K505 WeakPolarHBondContact OE2-CD 3.44Å; E439-K505 IonicContact OE2-NZ 3.16Å; T500-K505 HydrophobicContact CG2-CB 3.8Å; E502-K505 HydrophobicContact CB-CG 4.19Å; E502-K505 WeakPolarHBondContact OE2-CE 3Å; E502-K505 IonicContact OE2-NZ 3.29Å; E502-K505 PolarHBondContact OE2-NZ 3.22Å; P503-K505 PolarHBondContact O-N 2.94Å
506	E	92.1	Very high	94.8	Very high	105 Å²	105	26.6 Å²	26.6	49%	0.491	13%	0.131	S	C	.	.			trans	-92.6	140.7	179.2	-58.2	-167.4	126.3	0	0	110.6	W375 R377 R428	W375-E506 VanDerWaalsContact O-CA 3.31Å; W375-E506 WeakPolarHBondContact O-CA 3.24Å; R377-E506 HydrophobicContact CB-CG 3.87Å; R377-E506 WeakPolarHBondContact CB-OE1 3.44Å; R377-E506 PolarHBondContact N-OE1 2.98Å; R377-E506 VanDerWaalsContact N-OE1 3.14Å; R428-E506 PolarHBondContact NH1-O 3.08Å; R428-E506 PolarHBondContact NH2-O 3.42Å
507	G	93.2	Very high	94.2	Very high	8 Å²	8	28.7 Å²	28.7	8%	0.082	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	156.6	176.3	0	0	0	0	0	111.6	W375 R376	W375-G507 PolarHBondContact N-O 3.35Å; W375-G507 PolarHBondContact O-N 2.94Å; R376-G507 PolarHBondContact NH1-O 3.05Å
508	D	94.7	Very high	93.8	Very high	51 Å²	51	32.5 Å²	32.5	27%	0.273	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	147.3	167.3	-57	-26.8	0	0	0	108.3	T374 R376 Q425 K426	T374-D508 WeakPolarHBondContact CG2-OD1 3.47Å; R376-D508 IonicContact CZ-OD1 3.57Å; R376-D508 IonicContact NH1-OD1 2.72Å; R376-D508 PolarHBondContact NH1-OD1 2.7Å; R376-D508 IonicContact NH2-OD1 2.61Å; R376-D508 PolarHBondContact NH2-OD1 2.74Å; R376-D508 IonicContact NH2-OD2 3.79Å; Q425-D508 WeakPolarHBondContact CA-O 3.3Å; K426-D508 HydrophobicContact CB-CB 4.09Å; K426-D508 HydrophobicContact CD-CB 3.78Å; K426-D508 HydrophobicContact CG-CB 4.19Å; K426-D508 PolarHBondContact N-O 3.29Å
509	F	97.3	Very high	93.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	165.1	179.8	69.6	-95.1	0	0	0	112.4	G373 T374 W375 P395 F397 L423 M424 P498 L511	G373-F509 VanDerWaalsContact C-CD1 3.44Å; G373-F509 PolarHBondContact N-O 2.89Å; G373-F509 PolarHBondContact O-N 2.74Å; T374-F509 VanDerWaalsContact N-CE1 3.32Å; W375-F509 AromaticContact CD2-CD1 3.62Å; W375-F509 HydrophobicContact CD2-CD1 3.62Å; W375-F509 AromaticContact CD2-CE1 3.93Å; W375-F509 HydrophobicContact CD2-CE1 3.93Å; W375-F509 AromaticContact CE2-CD1 3.44Å; W375-F509 VanDerWaalsContact CE2-CD1 3.44Å; W375-F509 AromaticContact CE2-CE1 3.52Å; W375-F509 HydrophobicContact CE3-CB 4.5Å; W375-F509 AromaticContact CE3-CD1 3.79Å; W375-F509 HydrophobicContact CE3-CD1 3.79Å; W375-F509 HydrophobicContact CG-CD1 4.32Å; W375-F509 HydrophobicContact CG-CE1 4.26Å; W375-F509 HydrophobicContact CH2-CB 3.71Å; W375-F509 AromaticContact CH2-CD1 3.7Å; W375-F509 HydrophobicContact CH2-CD1 3.7Å; W375-F509 HydrophobicContact CH2-CE1 4.49Å; W375-F509 AromaticContact CH2-CG 3.83Å; W375-F509 HydrophobicContact CH2-CG 3.83Å; W375-F509 HydrophobicContact CZ2-CB 4.31Å; W375-F509 AromaticContact CZ2-CD1 3.5Å; W375-F509 HydrophobicContact CZ2-CD1 3.5Å; W375-F509 AromaticContact CZ2-CE1 3.85Å; W375-F509 HydrophobicContact CZ2-CE1 3.85Å; W375-F509 AromaticContact CZ2-CG 3.92Å; W375-F509 HydrophobicContact CZ2-CG 3.92Å; W375-F509 HydrophobicContact CZ3-CB 3.82Å; W375-F509 AromaticContact CZ3-CD1 3.84Å; W375-F509 HydrophobicContact CZ3-CD1 3.84Å; W375-F509 HydrophobicContact CZ3-CG 4.17Å; W375-F509 AromaticContact NE1-CE1 3.6Å; P395-F509 HydrophobicContact CB-CZ 4.04Å; P395-F509 HydrophobicContact CG-CE1 4.04Å; P395-F509 HydrophobicContact CG-CZ 3.9Å; F397-F509 HydrophobicContact CE2-CE2 4.05Å; F397-F509 HydrophobicContact CE2-CZ 4.16Å; F397-F509 HydrophobicContact CZ-CE2 4.17Å; F397-F509 HydrophobicContact CZ-CZ 4.34Å; L423-F509 HydrophobicContact CD1-CB 3.94Å; L423-F509 HydrophobicContact CD1-CD2 3.48Å; L423-F509 VanDerWaalsContact CD1-CD2 3.48Å; L423-F509 HydrophobicContact CD1-CE2 4.18Å; L423-F509 HydrophobicContact CD1-CG 3.87Å; M424-F509 CarbonylContact O-C 3.51Å; M424-F509 WeakPolarHBondContact O-CA 3.47Å; M424-F509 VanDerWaalsContact O-CB 3.29Å; M424-F509 WeakPolarHBondContact O-CB 3.33Å; P498-F509 HydrophobicContact CB-CE2 4.19Å; P498-F509 HydrophobicContact CB-CZ 4.36Å; P498-F509 HydrophobicContact CG-CE2 3.66Å; P498-F509 HydrophobicContact CG-CZ 3.67Å; F509-L511 HydrophobicContact CD2-CB 4.43Å; F509-L511 HydrophobicContact CE2-CB 4.26Å
510	V	97	Very high	93.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.5	169	-176	0	0	0	0	107.7	F156 L370 Y371 M424 K426 R512	F156-V510 HydrophobicContact CB-CG2 3.88Å; F156-V510 WeakPolarHBondContact O-CG2 3.38Å; L370-V510 HydrophobicContact CD1-CG1 3.57Å; L370-V510 HydrophobicContact CD2-CG1 3.73Å; L370-V510 HydrophobicContact CG-CG1 3.4Å; L370-V510 VanDerWaalsContact CG-CG1 3.4Å; Y371-V510 CarbonylContact O-C 3.6Å; Y371-V510 WeakPolarHBondContact O-CA 3.41Å; M424-V510 HydrophobicContact CB-CB 4.49Å; M424-V510 PolarHBondContact N-O 2.78Å; M424-V510 PolarHBondContact O-N 3.5Å; K426-V510 HydrophobicContact CD-CG2 3.88Å; K426-V510 HydrophobicContact CG-CG2 4.12Å; V510-R512 HydrophobicContact CG1-CG 3.73Å
511	L	97.5	Very high	92.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.8	171.2	-173.1	69.6	0	0	0	108.7	L370 Y371 F397 L421 A422 L423 V496 P498 F509 F513	L370-L511 WeakPolarHBondContact CA-O 3.33Å; Y371-L511 PolarHBondContact N-O 2.86Å; Y371-L511 PolarHBondContact O-N 2.66Å; F397-L511 HydrophobicContact CB-CD2 3.95Å; F397-L511 HydrophobicContact CD1-CD2 4.27Å; F397-L511 HydrophobicContact CD2-CD2 3.31Å; F397-L511 HydrophobicContact CE2-CD2 3.83Å; F397-L511 HydrophobicContact CG-CD2 3.56Å; F397-L511 HydrophobicContact CZ-CD2 4.5Å; L421-L511 HydrophobicContact CD1-CD1 3.69Å; L421-L511 HydrophobicContact CD1-CD2 4.41Å; L421-L511 HydrophobicContact CD1-CG 4.07Å; L421-L511 HydrophobicContact CG-CD1 4.16Å; A422-L511 CarbonylContact O-C 3.6Å; A422-L511 WeakPolarHBondContact O-CA 3.47Å; L423-L511 HydrophobicContact CB-CD1 4.12Å; L423-L511 HydrophobicContact CD1-CD1 4.25Å; V496-L511 HydrophobicContact CG1-CD1 4.49Å; V496-L511 HydrophobicContact CG1-CD2 4.01Å; P498-L511 HydrophobicContact CG-CD2 4.36Å; F509-L511 HydrophobicContact CD2-CB 4.43Å; F509-L511 HydrophobicContact CE2-CB 4.26Å; L511-F513 HydrophobicContact CD2-CE2 3.68Å; L511-F513 HydrophobicContact CD2-CZ 3.64Å; L511-F513 HydrophobicContact CG-CE2 3.94Å; L511-F513 HydrophobicContact CG-CZ 4.2Å
512	R	95.7	Very high	92.6	Very high	3 Å²	3	34.4 Å²	34.4	1%	0.011	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.1	-176.3	-52.1	-174.5	-70.5	161.2	1	110.1	E215 G219 G220 T369 L370 A422 E482 V510 F514	E215-R512 IonicContact OE1-NH2 2.8Å; G219-R512 PolarHBondContact O-NH1 3.07Å; G220-R512 PolarHBondContact O-NH1 3.03Å; G220-R512 PolarHBondContact O-NH2 2.79Å; T369-R512 WeakPolarHBondContact O-CA 3.33Å; L370-R512 HydrophobicContact CD1-CG 4Å; L370-R512 HydrophobicContact CG-CG 4.14Å; A422-R512 HydrophobicContact CB-CB 4.25Å; A422-R512 PolarHBondContact N-O 3.12Å; A422-R512 PolarHBondContact O-N 2.71Å; E482-R512 IonicContact OE1-NH2 3.55Å; E482-R512 PolarHBondContact OE1-NH2 3.43Å; E482-R512 IonicContact OE2-CZ 3.13Å; E482-R512 IonicContact OE2-NE 3.94Å; E482-R512 PolarHBondContact OE2-NE 3.08Å; E482-R512 IonicContact OE2-NH2 2.66Å; E482-R512 PolarHBondContact OE2-NH2 3.1Å; V510-R512 HydrophobicContact CG1-CG 3.73Å; R512-F514 HydrophobicContact CB-CD2 4.26Å; R512-F514 HydrophobicContact CB-CE2 3.44Å; R512-F514 VanDerWaalsContact CB-CE2 3.44Å; R512-F514 HydrophobicContact CB-CZ 4.11Å; R512-F514 HydrophobicContact CG-CE2 4.46Å
513	F	94.1	Very high	92.3	Very high	3 Å²	3	33 Å²	33	1%	0.013	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.5	175.3	-61.1	-94.9	0	0	0	108.7	T368 T369 Y371 F397 I399 L421 V496 L511 T521	T368-F513 VanDerWaalsContact CA-O 3.29Å; T368-F513 WeakPolarHBondContact CA-O 3.36Å; T369-F513 PolarHBondContact N-O 3.37Å; T369-F513 PolarHBondContact O-N 3.38Å; Y371-F513 HydrophobicContact CD2-CD2 4.05Å; Y371-F513 AromaticContact CD2-CE2 3.73Å; Y371-F513 HydrophobicContact CD2-CE2 3.73Å; Y371-F513 AromaticContact CE2-CD2 3.99Å; Y371-F513 HydrophobicContact CE2-CD2 3.99Å; Y371-F513 AromaticContact CE2-CE2 3.81Å; Y371-F513 HydrophobicContact CE2-CE2 3.81Å; F397-F513 HydrophobicContact CB-CE2 4.38Å; F397-F513 HydrophobicContact CB-CZ 3.99Å; I399-F513 HydrophobicContact CB-CD1 4.39Å; I399-F513 HydrophobicContact CB-CE1 4.03Å; I399-F513 HydrophobicContact CD1-CD1 3.84Å; I399-F513 HydrophobicContact CD1-CE1 4.26Å; I399-F513 HydrophobicContact CG1-CD1 4.49Å; I399-F513 HydrophobicContact CG2-CE1 4.42Å; L421-F513 HydrophobicContact CD1-CD1 3.49Å; L421-F513 VanDerWaalsContact CD1-CD1 3.49Å; L421-F513 HydrophobicContact CD1-CE1 3.33Å; L421-F513 HydrophobicContact CD1-CE2 4.39Å; L421-F513 HydrophobicContact CD1-CG 4.15Å; L421-F513 HydrophobicContact CD1-CZ 3.81Å; V496-F513 HydrophobicContact CB-CZ 4.4Å; V496-F513 HydrophobicContact CG2-CE1 3.83Å; V496-F513 HydrophobicContact CG2-CZ 4.14Å; L511-F513 HydrophobicContact CD2-CE2 3.68Å; L511-F513 HydrophobicContact CD2-CZ 3.64Å; L511-F513 HydrophobicContact CG-CE2 3.94Å; L511-F513 HydrophobicContact CG-CZ 4.2Å; F513-T521 HydrophobicContact CB-CG2 4.14Å; F513-T521 HydrophobicContact CD1-CG2 4.22Å; F513-T521 HydrophobicContact CD2-CG2 4.03Å; F513-T521 HydrophobicContact CE2-CG2 4.49Å; F513-T521 HydrophobicContact CG-CG2 3.88Å
514	F	90.8	Very high	92.1	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	108.6	174.5	-60.2	-100.5	0	0	0	108.5	V221 T354 W366 N367 T368 F419 V420 A422 R512	V221-F514 HydrophobicContact CB-CD1 4.28Å; V221-F514 HydrophobicContact CB-CD2 3.81Å; V221-F514 HydrophobicContact CB-CE1 3.96Å; V221-F514 HydrophobicContact CB-CE2 3.47Å; V221-F514 VanDerWaalsContact CB-CE2 3.47Å; V221-F514 HydrophobicContact CB-CG 4.23Å; V221-F514 HydrophobicContact CB-CZ 3.57Å; V221-F514 HydrophobicContact CG1-CD1 3.83Å; V221-F514 HydrophobicContact CG1-CD2 3.91Å; V221-F514 HydrophobicContact CG1-CE1 3.92Å; V221-F514 HydrophobicContact CG1-CE2 4.02Å; V221-F514 HydrophobicContact CG1-CG 3.83Å; V221-F514 HydrophobicContact CG1-CZ 4.05Å; V221-F514 HydrophobicContact CG2-CD2 3.87Å; V221-F514 HydrophobicContact CG2-CE2 3.7Å; V221-F514 HydrophobicContact CG2-CZ 4.31Å; T354-F514 HydrophobicContact CG2-CE1 3.87Å; W366-F514 HydrophobicContact CB-CD1 4.36Å; W366-F514 HydrophobicContact CD2-CB 4.34Å; W366-F514 HydrophobicContact CE3-CB 3.91Å; N367-F514 CarbonylContact O-C 3.43Å; N367-F514 VanDerWaalsContact O-CA 3.27Å; N367-F514 WeakPolarHBondContact O-CA 3.16Å; T368-F514 HydrophobicContact CG2-CD1 3.85Å; T368-F514 HydrophobicContact CG2-CE1 3.47Å; T368-F514 VanDerWaalsContact CG2-CE1 3.47Å; T368-F514 HydrophobicContact CG2-CZ 3.85Å; T368-F514 WeakPolarHBondContact OG1-CD1 3.5Å; F419-F514 CarbonylContact C-O 3.36Å; F419-F514 WeakPolarHBondContact CA-O 3.45Å; F419-F514 WeakPolarHBondContact CB-O 3.46Å; V420-F514 HydrophobicContact CB-CB 4.16Å; V420-F514 PolarHBondContact N-O 2.9Å; V420-F514 PolarHBondContact O-N 3.26Å; A422-F514 HydrophobicContact CB-CE2 4.43Å; R512-F514 HydrophobicContact CB-CD2 4.26Å; R512-F514 HydrophobicContact CB-CE2 3.44Å; R512-F514 VanDerWaalsContact CB-CE2 3.44Å; R512-F514 HydrophobicContact CB-CZ 4.11Å; R512-F514 HydrophobicContact CG-CE2 4.46Å
515	S	88.1	Confident	91.7	Very high	7 Å²	7	30 Å²	30	5%	0.049	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.6	-179.3	60	0	0	0	0	112	N367 K517 A519	N367-S515 PolarHBondContact N-O 2.91Å; N367-S515 PolarHBondContact O-N 3.46Å; S515-K517 CarbonylContact C-O 3.01Å; S515-K517 WeakPolarHBondContact CB-O 3.39Å; S515-K517 PolarHBondContact OG-O 2.95Å; S515-A519 WeakPolarHBondContact OG-CB 3.39Å
516	E	81.6	Confident	91.3	Very high	52 Å²	52	27.3 Å²	27.3	24%	0.243	16%	0.162	C	C	.	.	S	Bend	trans	-69.1	-45.5	178.1	179.8	165.4	-179.4	0	0	110.7	R364 W366 N367 S418	R364-E516 IonicContact CZ-OE1 3.57Å; R364-E516 IonicContact NH1-OE1 3.3Å; R364-E516 PolarHBondContact NH1-OE1 2.89Å; W366-E516 HydrophobicContact CZ3-CB 4.22Å; N367-E516 PolarHBondContact ND2-O 3.34Å; S418-E516 PolarHBondContact O-N 3.15Å; S418-E516 VanDerWaalsContact O-N 3.17Å
517	K	85.4	Confident	91.1	Very high	45 Å²	45	29.9 Å²	29.9	20%	0.196	17%	0.174	C	C	.	.	S	Bend	trans	-95.9	165.9	169.6	-58.4	-62.7	-174.6	172.1	0	111.1	N367 E403 D406 S515 A519	N367-K517 PolarHBondContact ND2-O 3.1Å; E403-K517 HydrophobicContact CB-CB 3.91Å; E403-K517 HydrophobicContact CB-CG 4.02Å; D406-K517 VanDerWaalsContact CG-NZ 3.31Å; D406-K517 IonicContact OD1-NZ 3.93Å; D406-K517 PolarHBondContact OD1-NZ 2.81Å; D406-K517 IonicContact OD2-NZ 2.85Å; D406-K517 PolarHBondContact OD2-NZ 3.14Å; S515-K517 CarbonylContact C-O 3.01Å; S515-K517 WeakPolarHBondContact CB-O 3.39Å; S515-K517 PolarHBondContact OG-O 2.95Å; K517-A519 PolarHBondContact O-N 3.34Å
518	S	89.6	Confident	91	Very high	80 Å²	80	34 Å²	34	56%	0.559	19%	0.193	S	C	*	.			trans	-60.8	131.6	176.4	-170.6	0	0	0	0	109.6	N367	N367-S518 PolarHBondContact ND2-N 2.79Å
519	A	90.7	Very high	90.8	Very high	16 Å²	16	35.5 Å²	35.5	13%	0.132	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.6	177.4	0	0	0	0	0	109.2	I399 R400 L401 S515 K517 T521	I399-A519 HydrophobicContact CD1-CB 4.42Å; I399-A519 HydrophobicContact CG1-CB 4.28Å; R400-A519 WeakPolarHBondContact O-CA 3.33Å; L401-A519 HydrophobicContact CD2-CB 3.97Å; S515-A519 WeakPolarHBondContact OG-CB 3.39Å; K517-A519 PolarHBondContact O-N 3.34Å; A519-T521 PolarHBondContact O-N 3.24Å
520	G	92.4	Very high	90.6	Very high	39 Å²	39	35.8 Å²	35.8	40%	0.402	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	117.4	174.4	0	0	0	0	0	109.7	I399 R400	I399-G520 CarbonylContact C-O 3.39Å; I399-G520 WeakPolarHBondContact CA-O 3.39Å; R400-G520 PolarHBondContact N-O 3.43Å; R400-G520 PolarHBondContact O-N 2.84Å
521	T	93.4	Very high	90.2	Very high	26 Å²	26	40.2 Å²	40.2	16%	0.16	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145.3	174.1	62.5	0	0	0	0	111.2	T369 Y371 K398 I399 F513 A519	T369-T521 VanDerWaalsContact CB-OG1 3.31Å; T369-T521 WeakPolarHBondContact CB-OG1 3.21Å; T369-T521 WeakPolarHBondContact CG2-OG1 3.41Å; T369-T521 WeakPolarHBondContact OG1-CG2 3.48Å; T369-T521 PolarHBondContact OG1-OG1 2.91Å; Y371-T521 WeakPolarHBondContact OH-CB 3.21Å; Y371-T521 PolarHBondContact OH-O 3.15Å; Y371-T521 PolarHBondContact OH-OG1 3.49Å; K398-T521 CarbonylContact O-C 3.38Å; K398-T521 VanDerWaalsContact O-CA 3.27Å; K398-T521 WeakPolarHBondContact O-CA 3.33Å; I399-T521 HydrophobicContact CB-CG2 4.37Å; I399-T521 HydrophobicContact CG1-CG2 4.13Å; F513-T521 HydrophobicContact CB-CG2 4.14Å; F513-T521 HydrophobicContact CD1-CG2 4.22Å; F513-T521 HydrophobicContact CD2-CG2 4.03Å; F513-T521 HydrophobicContact CE2-CG2 4.49Å; F513-T521 HydrophobicContact CG-CG2 3.88Å; A519-T521 PolarHBondContact O-N 3.24Å
522	A	92.3	Very high	89.4	Confident	34 Å²	34	42.2 Å²	42.2	28%	0.281	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	150.6	174.8	0	0	0	0	0	110.7	Y371 F397 K398	Y371-A522 WeakPolarHBondContact OH-CA 3.31Å; Y371-A522 PolarHBondContact OH-N 3.14Å; F397-A522 CarbonylContact C-O 3.41Å; F397-A522 WeakPolarHBondContact CA-O 3.46Å; K398-A522 PolarHBondContact N-O 2.89Å; K398-A522 PolarHBondContact O-N 2.97Å
523	E	91.3	Very high	88.3	Confident	62 Å²	62	46.1 Å²	46.1	29%	0.29	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	133.3	164.3	-178.1	164.6	-159.1	0	0	109.4	Y371 F397 D525 K653	Y371-E523 HydrophobicContact CD1-CB 4.24Å; Y371-E523 HydrophobicContact CE1-CB 4.27Å; F397-E523 HydrophobicContact CD1-CB 4.06Å; F397-E523 HydrophobicContact CD1-CG 4.17Å; F397-E523 HydrophobicContact CE1-CB 4.07Å; F397-E523 HydrophobicContact CE1-CG 3.88Å; E523-D525 HydrophobicContact CG-CB 4.41Å; E523-K653 WeakPolarHBondContact OE1-CD 3.28Å; E523-K653 WeakPolarHBondContact OE1-CE 3.49Å; E523-K653 IonicContact OE1-NZ 2.93Å; E523-K653 PolarHBondContact OE1-NZ 2.96Å; E523-K653 IonicContact OE2-NZ 3.06Å
524	L	89.3	Confident	87.2	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	101.4	174.5	-70.9	176.8	0	0	0	108.9	Q396 K398 A457 V495	Q396-L524 HydrophobicContact CB-CB 3.78Å; Q396-L524 HydrophobicContact CB-CD1 4.26Å; Q396-L524 PolarHBondContact O-N 2.84Å; K398-L524 HydrophobicContact CB-CD1 4.08Å; K398-L524 HydrophobicContact CB-CD2 3.92Å; K398-L524 HydrophobicContact CB-CG 3.86Å; K398-L524 HydrophobicContact CD-CD2 4.42Å; A457-L524 HydrophobicContact CB-CD2 3.74Å; V495-L524 HydrophobicContact CB-CD1 4.17Å; V495-L524 HydrophobicContact CG1-CD1 3.71Å; V495-L524 HydrophobicContact CG2-CD1 3.49Å; V495-L524 VanDerWaalsContact CG2-CD1 3.49Å
525	D	85.5	Confident	86.3	Confident	25 Å²	25	55.9 Å²	55.9	13%	0.134	31%	0.312	C	S	.	.			trans	-148.1	153.4	178	-155.5	-4.3	0	0	0	110.1	E523 N652 K653	E523-D525 HydrophobicContact CG-CB 4.41Å; D525-N652 WeakPolarHBondContact OD1-CA 3.17Å; D525-N652 WeakPolarHBondContact OD2-CA 3.5Å; D525-N652 VanDerWaalsContact OD2-CB 3.31Å; D525-N652 WeakPolarHBondContact OD2-CB 3.14Å; D525-K653 PolarHBondContact OD1-N 3.01Å; D525-K653 WeakPolarHBondContact OD2-CB 3.26Å; D525-K653 WeakPolarHBondContact OD2-CG 3.43Å; D525-K653 PolarHBondContact OD2-N 3.35Å
526	D	85.6	Confident	85.5	Confident	7 Å²	7	63.6 Å²	63.6	4%	0.037	35%	0.347	C	S	.	.			trans	-72.5	133.8	-175.2	-58.7	-55.3	0	0	0	110.2	H459 K461 R641 K650	H459-D526 WeakPolarHBondContact CB-OD2 3.01Å; H459-D526 PolarHBondContact N-OD1 2.75Å; K461-D526 IonicContact NZ-OD2 3.31Å; D526-R641 IonicContact OD2-NH2 3.99Å; D526-R641 PolarHBondContact OD2-NH2 2.79Å; D526-K650 HydrophobicContact CB-CB 4.43Å
527	Q	86.8	Confident	85.3	Confident	159 Å²	159	64.6 Å²	64.6	74%	0.743	36%	0.357	S	S	*	.			trans	-65.1	143.2	171.9	-71.9	-161.5	-10.9	0	0	110.8	Q529 K650	Q527-Q529 PolarHBondContact O-N 3.5Å; Q527-Q529 VanDerWaalsContact O-N 3.16Å; Q527-K650 WeakPolarHBondContact O-CB 3.42Å
528	I	91.6	Very high	85	Confident	94 Å²	94	65.1 Å²	65.1	48%	0.482	36%	0.361	S	S	.	.			trans	-68.9	112.6	179.8	-58.9	170.7	0	0	0	108.6	K650 L651 L655 F686	I528-K650 CarbonylContact C-O 3.47Å; I528-K650 WeakPolarHBondContact CA-O 3.48Å; I528-L651 HydrophobicContact CG2-CD2 4.46Å; I528-L655 HydrophobicContact CD1-CD1 3.73Å; I528-L655 HydrophobicContact CG1-CD1 3.95Å; I528-L655 HydrophobicContact CG2-CD1 4.4Å; I528-F686 HydrophobicContact CG2-CE1 3.93Å; I528-F686 HydrophobicContact CG2-CZ 3.54Å
529	Q	91.2	Very high	84.5	Confident	82 Å²	82	63.7 Å²	63.7	38%	0.383	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	143.4	-177.9	-174.1	176.8	12.2	0	0	110.8	Q527 N531 F649 K650	Q527-Q529 PolarHBondContact O-N 3.5Å; Q527-Q529 VanDerWaalsContact O-N 3.16Å; Q529-N531 PolarHBondContact NE2-ND2 2.86Å; Q529-N531 VanDerWaalsContact NE2-ND2 3.11Å; Q529-N531 PolarHBondContact NE2-OD1 3.02Å; Q529-F649 CarbonylContact O-C 3.36Å; Q529-F649 WeakPolarHBondContact O-CA 3.23Å; Q529-K650 HydrophobicContact CB-CB 4.38Å; Q529-K650 PolarHBondContact N-O 3.02Å; Q529-K650 PolarHBondContact O-N 2.78Å
530	A	92.1	Very high	84	Confident	6 Å²	6	68.4 Å²	68.4	5%	0.05	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	109.4	170.8	0	0	0	0	0	110.3	L532 F649 F686 K690	A530-L532 HydrophobicContact CB-CG 4.47Å; A530-F649 HydrophobicContact CB-CD1 3.66Å; A530-F649 HydrophobicContact CB-CE1 3.82Å; A530-F686 HydrophobicContact CB-CB 4.15Å; A530-F686 HydrophobicContact CB-CD1 3.5Å; A530-F686 HydrophobicContact CB-CD2 3.75Å; A530-F686 HydrophobicContact CB-CE1 3.66Å; A530-F686 HydrophobicContact CB-CE2 3.91Å; A530-F686 HydrophobicContact CB-CG 3.53Å; A530-F686 HydrophobicContact CB-CZ 3.85Å; A530-K690 PolarHBondContact O-NZ 3.42Å
531	N	89	Confident	83.5	Confident	94 Å²	94	75 Å²	75	50%	0.503	39%	0.391	S	S	.	.			trans	-105.1	80.2	174.2	-64.1	-24.1	0	0	0	108.4	Q529 G648	Q529-N531 PolarHBondContact NE2-ND2 2.86Å; Q529-N531 VanDerWaalsContact NE2-ND2 3.11Å; Q529-N531 PolarHBondContact NE2-OD1 3.02Å; N531-G648 PolarHBondContact N-O 3.41Å; N531-G648 WeakPolarHBondContact O-CA 3.35Å
532	L	80.4	Confident	83.2	Confident	42 Å²	42	79.6 Å²	79.6	22%	0.22	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-83.1	140.6	-179.7	-61.9	164.4	0	0	0	109.2	A530 F649 E683	A530-L532 HydrophobicContact CB-CG 4.47Å; L532-F649 HydrophobicContact CD2-CE1 3.93Å; L532-F649 HydrophobicContact CD2-CE2 3.98Å; L532-F649 HydrophobicContact CD2-CZ 3.5Å; L532-F649 VanDerWaalsContact CD2-CZ 3.5Å; L532-E683 HydrophobicContact CD1-CG 3.65Å; L532-E683 HydrophobicContact CD2-CG 4.42Å
533	P	73.3	Confident	82.7	Confident	85 Å²	85	78.2 Å²	78.2	55%	0.552	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-60.3	141.2	174.2	24.4	-31.4	0	0	0	110.2	E535	P533-E535 PolarHBondContact O-N 3.37Å
534	D	71.4	Confident	82.4	Confident	163 Å²	163	79.7 Å²	79.7	87%	0.872	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-56.2	129.8	175.2	-72.5	-36.5	0	0	0	109.7	Q536	D534-Q536 PolarHBondContact O-N 3.15Å
535	E	71.8	Confident	82.3	Confident	46 Å²	46	84.1 Å²	84.1	22%	0.215	43%	0.429	C	S	.	.			trans	-74.6	99.2	-175.3	-161.2	156.7	-121.4	0	0	108.2	P533 V537 R599 I612 R616 R687	P533-E535 PolarHBondContact O-N 3.37Å; E535-V537 VanDerWaalsContact C-N 3.32Å; E535-V537 HydrophobicContact CG-CG2 4.39Å; E535-V537 PolarHBondContact O-N 3.34Å; E535-R599 IonicContact OE2-CZ 3.2Å; E535-R599 IonicContact OE2-NH2 2.67Å; E535-R599 PolarHBondContact OE2-NH2 2.72Å; E535-I612 HydrophobicContact CG-CD1 4.27Å; E535-I612 HydrophobicContact CG-CG2 3.9Å; E535-I612 WeakPolarHBondContact OE1-CG2 3.37Å; E535-R616 IonicContact OE1-CZ 3.07Å; E535-R616 IonicContact OE1-NE 2.87Å; E535-R616 PolarHBondContact OE1-NE 2.99Å; E535-R616 IonicContact OE1-NH2 3.28Å; E535-R616 PolarHBondContact OE1-NH2 3.21Å; E535-R687 IonicContact OE1-NH2 2.87Å; E535-R687 PolarHBondContact OE1-NH2 3.48Å; E535-R687 IonicContact OE2-CZ 3.37Å; E535-R687 IonicContact OE2-NH1 3.32Å; E535-R687 PolarHBondContact OE2-NH1 3.21Å; E535-R687 IonicContact OE2-NH2 2.74Å; E535-R687 PolarHBondContact OE2-NH2 2.95Å
536	Q	71.7	Confident	82.2	Confident	168 Å²	168	88.8 Å²	88.8	79%	0.785	45%	0.454	S	S	*	.			trans	-67.2	94.3	170.3	-85.3	-172.9	-13.2	0	0	108.9	D534 L538	D534-Q536 PolarHBondContact O-N 3.15Å; Q536-L538 PolarHBondContact O-N 2.92Å
537	V	77	Confident	82.1	Confident	74 Å²	74	89.5 Å²	89.5	45%	0.448	46%	0.457	S	S	.	.			trans	-79.8	100.9	172.8	-174.5	0	0	0	0	107.5	E535 V608 I612	E535-V537 VanDerWaalsContact C-N 3.32Å; E535-V537 HydrophobicContact CG-CG2 4.39Å; E535-V537 PolarHBondContact O-N 3.34Å; V537-V608 HydrophobicContact CG1-CG1 3.91Å; V537-I612 HydrophobicContact CG2-CD1 4.21Å
538	L	78.3	Confident	82.1	Confident	55 Å²	55	82.8 Å²	82.8	29%	0.288	43%	0.425	S	S	.	.			trans	-70.9	138.9	170	-64.3	174.1	0	0	0	109.1	Q536 E542 I543	Q536-L538 PolarHBondContact O-N 2.92Å; L538-E542 WeakPolarHBondContact CA-OE2 3.15Å; L538-E542 HydrophobicContact CB-CB 4.06Å; L538-E542 HydrophobicContact CD2-CB 3.99Å; L538-I543 HydrophobicContact CB-CG1 3.99Å; L538-I543 HydrophobicContact CD1-CG1 4.44Å
539	S	79.9	Confident	81.8	Confident	50 Å²	50	80.7 Å²	80.7	35%	0.35	42%	0.422	S	S	.	.			trans	-65.4	158.2	165.4	77.5	0	0	0	0	109.5	E541 E542 I543	S539-E541 PolarHBondContact O-N 2.98Å; S539-E541 VanDerWaalsContact O-N 3.08Å; S539-E541 PolarHBondContact OG-N 3.38Å; S539-E542 PolarHBondContact N-OE2 3.37Å; S539-E542 PolarHBondContact O-N 3.27Å; S539-E542 WeakPolarHBondContact OG-CG 3.46Å; S539-E542 PolarHBondContact OG-N 2.85Å; S539-I543 PolarHBondContact O-N 3.3Å
540	E	80.1	Confident	81.3	Confident	115 Å²	115	79.9 Å²	79.9	54%	0.537	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-53.7	-33.7	176.6	-77.9	-161.9	146.1	0	0	112	E542 I543 K548 L607 V608	E540-E542 VanDerWaalsContact C-N 3.3Å; E540-E542 PolarHBondContact O-N 3.46Å; E540-I543 PolarHBondContact O-N 3.34Å; E540-K548 WeakPolarHBondContact O-CE 3.04Å; E540-K548 PolarHBondContact O-NZ 2.83Å; E540-L607 HydrophobicContact CG-CD2 4.07Å; E540-V608 HydrophobicContact CG-CG2 3.83Å
541	E	82.3	Confident	81	Confident	177 Å²	177	79.8 Å²	79.8	83%	0.827	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-67.3	-31.4	-179.2	-62.6	168.1	-179.1	0	0	112.6	S539	S539-E541 PolarHBondContact O-N 2.98Å; S539-E541 VanDerWaalsContact O-N 3.08Å; S539-E541 PolarHBondContact OG-N 3.38Å
542	E	85.7	Confident	80.9	Confident	124 Å²	124	81.3 Å²	81.3	58%	0.579	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-83	-15.2	-178.9	-66.3	171.4	151.8	0	0	113.2	L538 S539 E540 D544	L538-E542 WeakPolarHBondContact CA-OE2 3.15Å; L538-E542 HydrophobicContact CB-CB 4.06Å; L538-E542 HydrophobicContact CD2-CB 3.99Å; S539-E542 PolarHBondContact N-OE2 3.37Å; S539-E542 PolarHBondContact O-N 3.27Å; S539-E542 WeakPolarHBondContact OG-CG 3.46Å; S539-E542 PolarHBondContact OG-N 2.85Å; E540-E542 VanDerWaalsContact C-N 3.3Å; E540-E542 PolarHBondContact O-N 3.46Å; E542-D544 PolarHBondContact O-N 2.9Å
543	I	82.9	Confident	81	Confident	5 Å²	5	86.7 Å²	86.7	3%	0.026	44%	0.441	C	S	.	.	S	Bend	trans	-71.7	130.2	177.7	-63.9	173.4	0	0	0	109.6	L538 S539 E540 E545 F547 K548 L607 V608 N611	L538-I543 HydrophobicContact CB-CG1 3.99Å; L538-I543 HydrophobicContact CD1-CG1 4.44Å; S539-I543 PolarHBondContact O-N 3.3Å; E540-I543 PolarHBondContact O-N 3.34Å; I543-E545 PolarHBondContact O-N 3.05Å; I543-F547 HydrophobicContact CG2-CB 4.1Å; I543-F547 HydrophobicContact CG2-CD1 3.67Å; I543-F547 HydrophobicContact CG2-CG 4.26Å; I543-K548 HydrophobicContact CB-CG 4.49Å; I543-K548 HydrophobicContact CG2-CG 4Å; I543-K548 WeakPolarHBondContact O-CE 3.23Å; I543-K548 PolarHBondContact O-NZ 3.23Å; I543-L607 HydrophobicContact CD1-CD2 4.34Å; I543-L607 HydrophobicContact CD1-CG 4Å; I543-V608 HydrophobicContact CD1-CG2 4.16Å; I543-N611 HydrophobicContact CD1-CB 4.01Å
544	D	84.7	Confident	81.4	Confident	92 Å²	92	84.6 Å²	84.6	49%	0.492	43%	0.425	S	S	.	.			trans	-51.5	134.2	177.8	169.9	74.8	0	0	0	112.5	E542 N546 F547 K548	E542-D544 PolarHBondContact O-N 2.9Å; D544-N546 VanDerWaalsContact C-N 3.26Å; D544-N546 PolarHBondContact O-N 3.38Å; D544-N546 PolarHBondContact OD1-ND2 3.09Å; D544-N546 WeakPolarHBondContact OD2-CA 3.29Å; D544-N546 WeakPolarHBondContact OD2-CB 3.46Å; D544-N546 PolarHBondContact OD2-N 2.94Å; D544-N546 PolarHBondContact OD2-ND2 3.22Å; D544-F547 HydrophobicContact CB-CB 4.34Å; D544-F547 WeakPolarHBondContact O-CA 3.45Å; D544-F547 WeakPolarHBondContact O-CB 3.45Å; D544-F547 PolarHBondContact O-N 2.86Å; D544-F547 PolarHBondContact OD2-N 3.1Å; D544-K548 PolarHBondContact O-N 3.11Å
545	E	86.6	Confident	81.9	Confident	104 Å²	104	76.8 Å²	76.8	49%	0.486	38%	0.383	S	S	.	.	H	α-helix	trans	-63.8	-29.3	-177.1	-80.6	-57.8	140.3	0	0	113.1	I543 F547 K548 A549 R552	I543-E545 PolarHBondContact O-N 3.05Å; E545-F547 VanDerWaalsContact C-N 3.31Å; E545-K548 PolarHBondContact O-N 2.77Å; E545-K548 WeakPolarHBondContact OE1-CD 3.46Å; E545-K548 IonicContact OE1-NZ 3.98Å; E545-K548 PolarHBondContact OE1-NZ 3.33Å; E545-A549 WeakPolarHBondContact O-CB 3.33Å; E545-A549 PolarHBondContact O-N 3.39Å; E545-R552 IonicContact OE2-NH1 3.97Å; E545-R552 IonicContact OE2-NH2 3.82Å
546	N	83.1	Confident	82.3	Confident	123 Å²	123	76.6 Å²	76.6	66%	0.658	39%	0.394	S	S	*	.	H	α-helix	trans	-68.8	-36	174	-50.7	-67.9	0	0	0	110.8	D544 A549 L550	D544-N546 VanDerWaalsContact C-N 3.26Å; D544-N546 PolarHBondContact O-N 3.38Å; D544-N546 PolarHBondContact OD1-ND2 3.09Å; D544-N546 WeakPolarHBondContact OD2-CA 3.29Å; D544-N546 WeakPolarHBondContact OD2-CB 3.46Å; D544-N546 PolarHBondContact OD2-N 2.94Å; D544-N546 PolarHBondContact OD2-ND2 3.22Å; N546-A549 PolarHBondContact O-N 2.77Å; N546-L550 WeakPolarHBondContact O-CB 3.5Å; N546-L550 PolarHBondContact O-N 2.63Å
547	F	85	Confident	82.8	Confident	21 Å²	21	78.2 Å²	78.2	9%	0.092	40%	0.401	C	S	.	.	H	α-helix	trans	-65.1	-41.7	173	-167.3	-92.8	0	0	0	111.8	I543 D544 E545 L550 F551 L607 F610 N611 W614	I543-F547 HydrophobicContact CG2-CB 4.1Å; I543-F547 HydrophobicContact CG2-CD1 3.67Å; I543-F547 HydrophobicContact CG2-CG 4.26Å; D544-F547 HydrophobicContact CB-CB 4.34Å; D544-F547 WeakPolarHBondContact O-CA 3.45Å; D544-F547 WeakPolarHBondContact O-CB 3.45Å; D544-F547 PolarHBondContact O-N 2.86Å; D544-F547 PolarHBondContact OD2-N 3.1Å; E545-F547 VanDerWaalsContact C-N 3.31Å; F547-L550 WeakPolarHBondContact O-CB 3.34Å; F547-L550 PolarHBondContact O-N 3.46Å; F547-F551 WeakPolarHBondContact O-CB 3.38Å; F547-F551 PolarHBondContact O-N 2.95Å; F547-L607 HydrophobicContact CD1-CD1 4.25Å; F547-L607 HydrophobicContact CE1-CD1 4.34Å; F547-F610 AromaticContact CE1-CD1 3.81Å; F547-F610 HydrophobicContact CE1-CD1 3.81Å; F547-F610 HydrophobicContact CE1-CE1 4.27Å; F547-F610 HydrophobicContact CE2-CD1 4.5Å; F547-F610 HydrophobicContact CE2-CE1 4.22Å; F547-F610 AromaticContact CZ-CD1 3.47Å; F547-F610 HydrophobicContact CZ-CD1 3.47Å; F547-F610 VanDerWaalsContact CZ-CD1 3.47Å; F547-F610 AromaticContact CZ-CE1 3.59Å; F547-F610 HydrophobicContact CZ-CE1 3.59Å; F547-N611 HydrophobicContact CD1-CB 4.28Å; F547-N611 VanDerWaalsContact CD1-ND2 3.32Å; F547-N611 WeakPolarHBondContact CD1-ND2 3.43Å; F547-N611 HydrophobicContact CE1-CB 3.62Å; F547-N611 VanDerWaalsContact CE1-ND2 3.33Å; F547-N611 WeakPolarHBondContact CE1-ND2 3.48Å; F547-N611 HydrophobicContact CZ-CB 4.14Å; F547-W614 HydrophobicContact CE2-CB 3.93Å; F547-W614 AromaticContact CE2-CD1 3.41Å; F547-W614 VanDerWaalsContact CE2-CD1 3.41Å; F547-W614 HydrophobicContact CE2-CD2 4.43Å; F547-W614 AromaticContact CE2-CG 3.64Å; F547-W614 HydrophobicContact CE2-CG 3.64Å; F547-W614 HydrophobicContact CZ-CB 3.87Å; F547-W614 HydrophobicContact CZ-CG 4.1Å
548	K	85.7	Confident	83.3	Confident	19 Å²	19	78.3 Å²	78.3	8%	0.083	40%	0.399	C	S	.	.	H	α-helix	trans	-62.8	-43.5	173.9	-63.6	-172.7	-167.7	156.1	0	112.3	E540 I543 D544 E545 L550 F551 R552 L607	E540-K548 WeakPolarHBondContact O-CE 3.04Å; E540-K548 PolarHBondContact O-NZ 2.83Å; I543-K548 HydrophobicContact CB-CG 4.49Å; I543-K548 HydrophobicContact CG2-CG 4Å; I543-K548 WeakPolarHBondContact O-CE 3.23Å; I543-K548 PolarHBondContact O-NZ 3.23Å; D544-K548 PolarHBondContact O-N 3.11Å; E545-K548 PolarHBondContact O-N 2.77Å; E545-K548 WeakPolarHBondContact OE1-CD 3.46Å; E545-K548 IonicContact OE1-NZ 3.98Å; E545-K548 PolarHBondContact OE1-NZ 3.33Å; K548-L550 VanDerWaalsContact C-N 3.3Å; K548-L550 PolarHBondContact O-N 3.32Å; K548-F551 PolarHBondContact O-N 3.29Å; K548-R552 WeakPolarHBondContact O-CG 3.34Å; K548-R552 PolarHBondContact O-N 2.78Å; K548-L607 HydrophobicContact CD-CD2 4.24Å; K548-L607 HydrophobicContact CG-CD1 4.32Å; K548-L607 HydrophobicContact CG-CD2 3.93Å
549	A	85.3	Confident	83.8	Confident	50 Å²	50	80 Å²	80	41%	0.413	41%	0.407	S	S	.	.	H	α-helix	trans	-61.1	-42.2	176.6	0	0	0	0	0	111.3	E545 N546 R552 Q553	E545-A549 WeakPolarHBondContact O-CB 3.33Å; E545-A549 PolarHBondContact O-N 3.39Å; N546-A549 PolarHBondContact O-N 2.77Å; A549-R552 PolarHBondContact O-N 3.08Å; A549-Q553 WeakPolarHBondContact O-CB 3.36Å; A549-Q553 PolarHBondContact O-N 3.36Å
550	L	80.2	Confident	84.3	Confident	65 Å²	65	80 Å²	80	34%	0.34	40%	0.401	S	S	.	.	H	α-helix	trans	-61.6	-46.6	173.6	-178.9	66.3	0	0	0	111.2	N546 F547 K548 Q553 L554	N546-L550 WeakPolarHBondContact O-CB 3.5Å; N546-L550 PolarHBondContact O-N 2.63Å; F547-L550 WeakPolarHBondContact O-CB 3.34Å; F547-L550 PolarHBondContact O-N 3.46Å; K548-L550 VanDerWaalsContact C-N 3.3Å; K548-L550 PolarHBondContact O-N 3.32Å; L550-Q553 PolarHBondContact O-N 3Å; L550-L554 HydrophobicContact CD1-CD1 3.88Å; L550-L554 HydrophobicContact CD1-CG 4.45Å; L550-L554 HydrophobicContact CG-CD1 3.85Å; L550-L554 WeakPolarHBondContact O-CD1 3.16Å; L550-L554 WeakPolarHBondContact O-CG 3.48Å; L550-L554 PolarHBondContact O-N 2.9Å
551	F	86.2	Confident	84.8	Confident	3 Å²	3	74.5 Å²	74.5	1%	0.013	38%	0.375	C	S	.	.	H	α-helix	trans	-58.9	-50.1	177.2	178.7	-95.2	0	0	0	111.7	F547 K548 Q553 L554 A555 M559 I561 L607 F610	F547-F551 WeakPolarHBondContact O-CB 3.38Å; F547-F551 PolarHBondContact O-N 2.95Å; K548-F551 PolarHBondContact O-N 3.29Å; F551-Q553 VanDerWaalsContact C-N 3.25Å; F551-Q553 PolarHBondContact O-N 2.86Å; F551-L554 CarbonylContact O-C 3.47Å; F551-L554 WeakPolarHBondContact O-CA 3.33Å; F551-L554 PolarHBondContact O-N 2.8Å; F551-A555 HydrophobicContact CD1-CB 3.95Å; F551-A555 HydrophobicContact CD2-CB 4.3Å; F551-A555 HydrophobicContact CE1-CB 3.57Å; F551-A555 HydrophobicContact CE2-CB 3.97Å; F551-A555 HydrophobicContact CG-CB 4.3Å; F551-A555 HydrophobicContact CZ-CB 3.58Å; F551-A555 VanDerWaalsContact O-CB 3.25Å; F551-A555 WeakPolarHBondContact O-CB 3.18Å; F551-A555 PolarHBondContact O-N 3.49Å; F551-M559 HydrophobicContact CE1-CE 4.31Å; F551-M559 WeakPolarHBondContact CE1-O 3.41Å; F551-M559 VanDerWaalsContact CZ-O 3.24Å; F551-M559 WeakPolarHBondContact CZ-O 3.16Å; F551-I561 HydrophobicContact CD2-CD1 3.56Å; F551-I561 HydrophobicContact CD2-CG1 4.23Å; F551-I561 HydrophobicContact CE2-CD1 3.46Å; F551-I561 VanDerWaalsContact CE2-CD1 3.46Å; F551-I561 HydrophobicContact CE2-CG1 3.72Å; F551-I561 HydrophobicContact CZ-CG1 4.39Å; F551-L607 HydrophobicContact CB-CD1 3.57Å; F551-L607 HydrophobicContact CD1-CB 4.06Å; F551-L607 HydrophobicContact CD1-CD1 3.73Å; F551-L607 HydrophobicContact CD1-CG 4.44Å; F551-L607 HydrophobicContact CD2-CD1 4.05Å; F551-L607 HydrophobicContact CE1-CB 3.91Å; F551-L607 HydrophobicContact CE1-CD1 4.44Å; F551-L607 HydrophobicContact CE2-CB 4.45Å; F551-L607 HydrophobicContact CG-CB 4.4Å; F551-L607 HydrophobicContact CG-CD1 3.5Å; F551-L607 HydrophobicContact CZ-CB 4.12Å; F551-F610 HydrophobicContact CD2-CB 4.06Å; F551-F610 AromaticContact CD2-CD1 3.65Å; F551-F610 HydrophobicContact CD2-CD1 3.65Å; F551-F610 HydrophobicContact CD2-CE1 4.43Å; F551-F610 HydrophobicContact CD2-CG 4.06Å; F551-F610 HydrophobicContact CE2-CB 3.92Å; F551-F610 HydrophobicContact CE2-CD1 4.33Å; F551-F610 HydrophobicContact CE2-CG 4.29Å
552	R	86.7	Confident	85.3	Confident	127 Å²	127	67.5 Å²	67.5	48%	0.479	35%	0.346	S	S	.	.	H	α-helix	trans	-58.7	-35.8	177.9	-69.9	-178.4	-156.7	119.5	1.6	112.9	E545 K548 A549 L554 M559	E545-R552 IonicContact OE2-NH1 3.97Å; E545-R552 IonicContact OE2-NH2 3.82Å; K548-R552 WeakPolarHBondContact O-CG 3.34Å; K548-R552 PolarHBondContact O-N 2.78Å; A549-R552 PolarHBondContact O-N 3.08Å; R552-L554 PolarHBondContact O-N 2.81Å; R552-M559 HydrophobicContact CG-CE 3.88Å; R552-M559 HydrophobicContact CG-SD 4.07Å
553	Q	82.7	Confident	85.7	Confident	155 Å²	155	62.9 Å²	62.9	72%	0.724	33%	0.326	S	S	*	.	H	α-helix	trans	-67.7	-22.6	176.8	-168.1	179.1	7.5	0	0	112.4	A549 L550 F551	A549-Q553 WeakPolarHBondContact O-CB 3.36Å; A549-Q553 PolarHBondContact O-N 3.36Å; L550-Q553 PolarHBondContact O-N 3Å; F551-Q553 VanDerWaalsContact C-N 3.25Å; F551-Q553 PolarHBondContact O-N 2.86Å
554	L	82.6	Confident	86.1	Confident	40 Å²	40	70.1 Å²	70.1	21%	0.209	36%	0.357	C	S	.	.	H	α-helix	trans	-105.5	-32	-172.2	-65.8	174.1	0	0	0	113.4	L550 F551 R552 G556 I569	L550-L554 HydrophobicContact CD1-CD1 3.88Å; L550-L554 HydrophobicContact CD1-CG 4.45Å; L550-L554 HydrophobicContact CG-CD1 3.85Å; L550-L554 WeakPolarHBondContact O-CD1 3.16Å; L550-L554 WeakPolarHBondContact O-CG 3.48Å; L550-L554 PolarHBondContact O-N 2.9Å; F551-L554 CarbonylContact O-C 3.47Å; F551-L554 WeakPolarHBondContact O-CA 3.33Å; F551-L554 PolarHBondContact O-N 2.8Å; R552-L554 PolarHBondContact O-N 2.81Å; L554-G556 VanDerWaalsContact C-N 3.29Å; L554-G556 PolarHBondContact O-N 2.95Å; L554-I569 HydrophobicContact CB-CD1 3.68Å; L554-I569 HydrophobicContact CB-CG1 4.08Å; L554-I569 HydrophobicContact CD1-CB 4.38Å; L554-I569 HydrophobicContact CD1-CD1 3.91Å; L554-I569 HydrophobicContact CD1-CG1 3.8Å; L554-I569 HydrophobicContact CD1-CG2 3.66Å; L554-I569 HydrophobicContact CD2-CD1 4.31Å; L554-I569 HydrophobicContact CD2-CG1 3.72Å; L554-I569 HydrophobicContact CG-CD1 4.15Å; L554-I569 HydrophobicContact CG-CG1 4.04Å
555	A	80.5	Confident	86.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-87.4	28.2	-169.1	0	0	0	0	0	114.8	F551 M559 E560 I561	F551-A555 HydrophobicContact CD1-CB 3.95Å; F551-A555 HydrophobicContact CD2-CB 4.3Å; F551-A555 HydrophobicContact CE1-CB 3.57Å; F551-A555 HydrophobicContact CE2-CB 3.97Å; F551-A555 HydrophobicContact CG-CB 4.3Å; F551-A555 HydrophobicContact CZ-CB 3.58Å; F551-A555 VanDerWaalsContact O-CB 3.25Å; F551-A555 WeakPolarHBondContact O-CB 3.18Å; F551-A555 PolarHBondContact O-N 3.49Å; A555-M559 VanDerWaalsContact O-CA 3.25Å; A555-M559 WeakPolarHBondContact O-CA 3.45Å; A555-M559 PolarHBondContact O-N 3.45Å; A555-E560 PolarHBondContact O-N 3.24Å; A555-I561 HydrophobicContact CB-CG1 3.79Å
556	G	80.2	Confident	86.7	Confident	42 Å²	42	63.6 Å²	63.6	43%	0.433	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	-155.1	173.9	0	0	0	0	0	115.1	L554	L554-G556 VanDerWaalsContact C-N 3.29Å; L554-G556 PolarHBondContact O-N 2.95Å
557	E	82.7	Confident	87.2	Confident	202 Å²	202	62.9 Å²	62.9	94%	0.944	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-23.8	175.4	-67.8	-175.9	167.5	0	0	112.6	M559	E557-M559 VanDerWaalsContact C-N 3.28Å
558	D	88.1	Confident	87.5	Confident	76 Å²	76	66.5 Å²	66.5	41%	0.406	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-7.1	-179.6	57	-17.9	0	0	0	113.2	E560 K604	D558-E560 PolarHBondContact O-N 2.78Å; D558-K604 IonicContact OD2-NZ 2.79Å; D558-K604 PolarHBondContact OD2-NZ 2.99Å
559	M	88.2	Confident	87.6	Confident	91 Å²	91	66.2 Å²	66.2	45%	0.448	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	28.7	-179.8	-67.6	-77.2	-63.6	0	0	112.6	F551 R552 A555 E557	F551-M559 HydrophobicContact CE1-CE 4.31Å; F551-M559 WeakPolarHBondContact CE1-O 3.41Å; F551-M559 VanDerWaalsContact CZ-O 3.24Å; F551-M559 WeakPolarHBondContact CZ-O 3.16Å; R552-M559 HydrophobicContact CG-CE 3.88Å; R552-M559 HydrophobicContact CG-SD 4.07Å; A555-M559 VanDerWaalsContact O-CA 3.25Å; A555-M559 WeakPolarHBondContact O-CA 3.45Å; A555-M559 PolarHBondContact O-N 3.45Å; E557-M559 VanDerWaalsContact C-N 3.28Å
560	E	90.9	Very high	87.9	Confident	48 Å²	48	64 Å²	64	22%	0.224	32%	0.316	C	S	.	.			trans	-132.3	148.2	177.2	-65.1	-176.1	134.9	0	0	109.7	A555 D558 N602 K604 L605	A555-E560 PolarHBondContact O-N 3.24Å; D558-E560 PolarHBondContact O-N 2.78Å; E560-N602 PolarHBondContact OE1-ND2 2.71Å; E560-K604 HydrophobicContact CB-CB 4Å; E560-K604 HydrophobicContact CB-CD 3.74Å; E560-K604 HydrophobicContact CG-CD 4.5Å; E560-K604 WeakPolarHBondContact OE2-CD 3.28Å; E560-K604 IonicContact OE2-NZ 3.27Å; E560-K604 PolarHBondContact OE2-NZ 3.48Å; E560-K604 VanDerWaalsContact OE2-NZ 3.07Å; E560-L605 WeakPolarHBondContact CA-O 3.45Å
561	I	91.5	Very high	88.4	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.9	178.3	-63.9	174.7	0	0	0	109.1	F551 A555 E565 L566 I569 K604 L605 F610	F551-I561 HydrophobicContact CD2-CD1 3.56Å; F551-I561 HydrophobicContact CD2-CG1 4.23Å; F551-I561 HydrophobicContact CE2-CD1 3.46Å; F551-I561 VanDerWaalsContact CE2-CD1 3.46Å; F551-I561 HydrophobicContact CE2-CG1 3.72Å; F551-I561 HydrophobicContact CZ-CG1 4.39Å; A555-I561 HydrophobicContact CB-CG1 3.79Å; I561-E565 HydrophobicContact CG2-CB 3.95Å; I561-L566 HydrophobicContact CG2-CB 3.82Å; I561-L566 HydrophobicContact CG2-CD1 4.41Å; I561-I569 HydrophobicContact CD1-CD1 3.96Å; I561-I569 HydrophobicContact CG1-CD1 4.38Å; I561-I569 HydrophobicContact CG2-CD1 3.87Å; I561-K604 WeakPolarHBondContact O-CA 3.48Å; I561-L605 HydrophobicContact CB-CB 4.41Å; I561-L605 PolarHBondContact N-O 2.56Å; I561-L605 PolarHBondContact O-N 2.68Å; I561-F610 HydrophobicContact CD1-CB 4.27Å; I561-F610 HydrophobicContact CD1-CD1 3.89Å; I561-F610 HydrophobicContact CD1-CD2 3.59Å; I561-F610 HydrophobicContact CD1-CE1 4.08Å; I561-F610 HydrophobicContact CD1-CE2 3.81Å; I561-F610 HydrophobicContact CD1-CG 3.63Å; I561-F610 HydrophobicContact CD1-CZ 4.04Å
562	S	92.2	Very high	88.5	Confident	30 Å²	30	71 Å²	71	21%	0.21	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	163.5	170.5	72.3	0	0	0	0	112.2	K564 E565 L566	S562-K564 PolarHBondContact O-N 2.62Å; S562-K564 VanDerWaalsContact O-N 3.15Å; S562-E565 WeakPolarHBondContact CA-OE2 3.11Å; S562-E565 WeakPolarHBondContact CB-OE2 3.48Å; S562-E565 PolarHBondContact N-OE2 3.41Å; S562-E565 PolarHBondContact O-N 3.36Å; S562-E565 VanDerWaalsContact O-N 3.1Å; S562-E565 VanDerWaalsContact OG-CD 3.29Å; S562-E565 PolarHBondContact OG-N 2.88Å; S562-E565 PolarHBondContact OG-OE2 2.91Å; S562-L566 WeakPolarHBondContact O-CB 3.22Å; S562-L566 PolarHBondContact O-N 2.97Å
563	V	92.9	Very high	88.5	Confident	27 Å²	27	67 Å²	67	16%	0.164	33%	0.328	C	S	.	.	H	α-helix	trans	-52.3	-38.7	175.7	179.3	0	0	0	0	112.8	R567 L587 C590 R591 V594	V563-R567 PolarHBondContact O-N 3.38Å; V563-L587 HydrophobicContact CG1-CD2 3.89Å; V563-C590 HydrophobicContact CG1-CB 3.81Å; V563-R591 HydrophobicContact CG1-CG 3.71Å; V563-R591 HydrophobicContact CG2-CG 4.16Å; V563-V594 HydrophobicContact CG2-CB 4.29Å; V563-V594 HydrophobicContact CG2-CG2 3.91Å
564	K	91.4	Very high	88.6	Confident	158 Å²	158	60.3 Å²	60.3	69%	0.687	30%	0.298	S	S	*	.	H	α-helix	trans	-72.7	-38.7	-179.1	-70.5	179.7	-177.8	172.6	0	111.8	S562 T568 L587	S562-K564 PolarHBondContact O-N 2.62Å; S562-K564 VanDerWaalsContact O-N 3.15Å; K564-T568 PolarHBondContact O-N 3Å; K564-T568 VanDerWaalsContact O-N 3.15Å; K564-T568 PolarHBondContact O-OG1 2.8Å; K564-L587 HydrophobicContact CG-CD2 4.47Å
565	E	91.5	Very high	88.8	Confident	59 Å²	59	62.4 Å²	62.4	28%	0.276	32%	0.316	S	S	.	.	H	α-helix	trans	-66.6	-46.7	174.6	-74.2	152.1	159.3	0	0	110	I561 S562 R567 T568 I569	I561-E565 HydrophobicContact CG2-CB 3.95Å; S562-E565 WeakPolarHBondContact CA-OE2 3.11Å; S562-E565 WeakPolarHBondContact CB-OE2 3.48Å; S562-E565 PolarHBondContact N-OE2 3.41Å; S562-E565 PolarHBondContact O-N 3.36Å; S562-E565 VanDerWaalsContact O-N 3.1Å; S562-E565 VanDerWaalsContact OG-CD 3.29Å; S562-E565 PolarHBondContact OG-N 2.88Å; S562-E565 PolarHBondContact OG-OE2 2.91Å; E565-R567 VanDerWaalsContact C-N 3.3Å; E565-R567 PolarHBondContact O-N 3.45Å; E565-T568 WeakPolarHBondContact O-CA 3.45Å; E565-T568 WeakPolarHBondContact O-CB 3.48Å; E565-T568 PolarHBondContact O-N 3.17Å; E565-I569 HydrophobicContact CB-CD1 4.38Å; E565-I569 WeakPolarHBondContact O-CD1 3.43Å; E565-I569 WeakPolarHBondContact O-CG1 3.49Å; E565-I569 PolarHBondContact O-N 2.95Å
566	L	92.9	Very high	89.2	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-52.4	-49.1	175.7	-175.2	62.2	0	0	0	111.3	I561 S562 T568 I569 L570 C590 M593 V594 L605 F610 L613	I561-L566 HydrophobicContact CG2-CB 3.82Å; I561-L566 HydrophobicContact CG2-CD1 4.41Å; S562-L566 WeakPolarHBondContact O-CB 3.22Å; S562-L566 PolarHBondContact O-N 2.97Å; L566-T568 VanDerWaalsContact C-N 3.31Å; L566-T568 PolarHBondContact O-N 2.66Å; L566-I569 PolarHBondContact O-N 2.68Å; L566-L570 HydrophobicContact CD1-CD1 3.81Å; L566-L570 HydrophobicContact CD1-CD2 4.35Å; L566-L570 HydrophobicContact CD1-CG 3.89Å; L566-L570 HydrophobicContact CD2-CD1 4.45Å; L566-L570 HydrophobicContact CG-CD1 3.8Å; L566-L570 HydrophobicContact CG-CG 4.23Å; L566-L570 WeakPolarHBondContact O-CB 3.18Å; L566-L570 VanDerWaalsContact O-CG 3.27Å; L566-L570 WeakPolarHBondContact O-CG 3.27Å; L566-L570 PolarHBondContact O-N 3.08Å; L566-C590 HydrophobicContact CD2-CB 4.14Å; L566-C590 HydrophobicContact CG-CB 4.47Å; L566-M593 HydrophobicContact CD2-CB 4.15Å; L566-V594 HydrophobicContact CD2-CG2 3.83Å; L566-L605 HydrophobicContact CD2-CD1 4.12Å; L566-F610 HydrophobicContact CD1-CD2 4.15Å; L566-F610 HydrophobicContact CD1-CE2 3.74Å; L566-L613 HydrophobicContact CD1-CD2 4.01Å; L566-L613 HydrophobicContact CD2-CD2 3.94Å
567	R	94	Very high	89.6	Confident	107 Å²	107	70.7 Å²	70.7	40%	0.404	34%	0.34	S	S	.	.	H	α-helix	trans	-57.1	-45.4	176	179	179.3	163.3	-148.7	-7.2	112.1	V563 E565 N571 C590	V563-R567 PolarHBondContact O-N 3.38Å; E565-R567 VanDerWaalsContact C-N 3.3Å; E565-R567 PolarHBondContact O-N 3.45Å; R567-N571 WeakPolarHBondContact CG-ND2 3.4Å; R567-N571 WeakPolarHBondContact O-CB 3.22Å; R567-N571 VanDerWaalsContact O-CG 3.22Å; R567-N571 PolarHBondContact O-N 3.18Å; R567-N571 PolarHBondContact O-ND2 2.99Å; R567-C590 VanDerWaalsContact CA-SG 3.51Å; R567-C590 HydrophobicContact CB-CB 4.47Å
568	T	90.3	Very high	89.8	Confident	98 Å²	98	70.6 Å²	70.6	60%	0.601	34%	0.337	S	S	*	.	H	α-helix	trans	-64.2	-44.3	-178.1	-56.2	0	0	0	0	110.9	K564 E565 L566 R572	K564-T568 PolarHBondContact O-N 3Å; K564-T568 VanDerWaalsContact O-N 3.15Å; K564-T568 PolarHBondContact O-OG1 2.8Å; E565-T568 WeakPolarHBondContact O-CA 3.45Å; E565-T568 WeakPolarHBondContact O-CB 3.48Å; E565-T568 PolarHBondContact O-N 3.17Å; L566-T568 VanDerWaalsContact C-N 3.31Å; L566-T568 PolarHBondContact O-N 2.66Å; T568-R572 WeakPolarHBondContact O-CB 3Å; T568-R572 PolarHBondContact O-N 3.32Å; T568-R572 VanDerWaalsContact O-N 3.07Å
569	I	88.6	Confident	89.8	Confident	12 Å²	12	70.7 Å²	70.7	6%	0.062	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-57.1	178	-64.6	159.8	0	0	0	110.2	L554 I561 E565 L566 N571 R572 I573 F610	L554-I569 HydrophobicContact CB-CD1 3.68Å; L554-I569 HydrophobicContact CB-CG1 4.08Å; L554-I569 HydrophobicContact CD1-CB 4.38Å; L554-I569 HydrophobicContact CD1-CD1 3.91Å; L554-I569 HydrophobicContact CD1-CG1 3.8Å; L554-I569 HydrophobicContact CD1-CG2 3.66Å; L554-I569 HydrophobicContact CD2-CD1 4.31Å; L554-I569 HydrophobicContact CD2-CG1 3.72Å; L554-I569 HydrophobicContact CG-CD1 4.15Å; L554-I569 HydrophobicContact CG-CG1 4.04Å; I561-I569 HydrophobicContact CD1-CD1 3.96Å; I561-I569 HydrophobicContact CG1-CD1 4.38Å; I561-I569 HydrophobicContact CG2-CD1 3.87Å; E565-I569 HydrophobicContact CB-CD1 4.38Å; E565-I569 WeakPolarHBondContact O-CD1 3.43Å; E565-I569 WeakPolarHBondContact O-CG1 3.49Å; E565-I569 PolarHBondContact O-N 2.95Å; L566-I569 PolarHBondContact O-N 2.68Å; I569-N571 VanDerWaalsContact C-N 3.32Å; I569-N571 PolarHBondContact O-N 3.04Å; I569-R572 WeakPolarHBondContact O-CB 3.16Å; I569-R572 PolarHBondContact O-N 2.84Å; I569-I573 HydrophobicContact CG2-CD1 4.03Å; I569-I573 WeakPolarHBondContact O-CG1 3.47Å; I569-I573 PolarHBondContact O-N 3.06Å; I569-I573 VanDerWaalsContact O-N 3.15Å; I569-F610 HydrophobicContact CG2-CZ 4.24Å
570	L	90.8	Very high	89.9	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-64.4	-38.4	-173.9	-63.3	178.5	0	0	0	111.4	L566 R572 I573 I574 F585 M593 W614 I617	L566-L570 HydrophobicContact CD1-CD1 3.81Å; L566-L570 HydrophobicContact CD1-CD2 4.35Å; L566-L570 HydrophobicContact CD1-CG 3.89Å; L566-L570 HydrophobicContact CD2-CD1 4.45Å; L566-L570 HydrophobicContact CG-CD1 3.8Å; L566-L570 HydrophobicContact CG-CG 4.23Å; L566-L570 WeakPolarHBondContact O-CB 3.18Å; L566-L570 VanDerWaalsContact O-CG 3.27Å; L566-L570 WeakPolarHBondContact O-CG 3.27Å; L566-L570 PolarHBondContact O-N 3.08Å; L570-R572 PolarHBondContact O-N 2.74Å; L570-I573 PolarHBondContact O-N 3.48Å; L570-I573 VanDerWaalsContact O-N 3.13Å; L570-I574 PolarHBondContact O-N 3.1Å; L570-F585 HydrophobicContact CB-CD2 3.37Å; L570-F585 HydrophobicContact CB-CE2 3.73Å; L570-F585 HydrophobicContact CB-CG 4.37Å; L570-F585 HydrophobicContact CD1-CD2 3.76Å; L570-F585 HydrophobicContact CD1-CE2 3.86Å; L570-F585 HydrophobicContact CD1-CG 4.27Å; L570-F585 HydrophobicContact CG-CD2 4.17Å; L570-F585 HydrophobicContact CG-CE2 4.26Å; L570-M593 HydrophobicContact CD1-CE 4.48Å; L570-M593 HydrophobicContact CD1-SD 3.77Å; L570-W614 HydrophobicContact CD2-CE3 4.15Å; L570-W614 HydrophobicContact CD2-CZ3 3.74Å; L570-I617 HydrophobicContact CD1-CD1 3.88Å; L570-I617 HydrophobicContact CD2-CD1 3.67Å; L570-I617 HydrophobicContact CG-CD1 4.45Å
571	N	92.2	Very high	89.8	Confident	33 Å²	33	70.8 Å²	70.8	18%	0.176	33%	0.332	C	S	.	.	H	α-helix	trans	-68.1	-35.1	176.9	-73.9	-20.8	0	0	0	113.1	R567 I569 I573 S575 G584 F585	R567-N571 WeakPolarHBondContact CG-ND2 3.4Å; R567-N571 WeakPolarHBondContact O-CB 3.22Å; R567-N571 VanDerWaalsContact O-CG 3.22Å; R567-N571 PolarHBondContact O-N 3.18Å; R567-N571 PolarHBondContact O-ND2 2.99Å; I569-N571 VanDerWaalsContact C-N 3.32Å; I569-N571 PolarHBondContact O-N 3.04Å; N571-I573 PolarHBondContact O-N 2.64Å; N571-S575 VanDerWaalsContact O-CB 3.31Å; N571-S575 WeakPolarHBondContact O-CB 3.31Å; N571-S575 PolarHBondContact O-N 2.49Å; N571-S575 PolarHBondContact O-OG 2.93Å; N571-G584 WeakPolarHBondContact OD1-CA 3.13Å; N571-F585 PolarHBondContact ND2-O 3.41Å; N571-F585 VanDerWaalsContact ND2-O 3.1Å; N571-F585 PolarHBondContact OD1-N 2.75Å
572	R	88.2	Confident	89.5	Confident	182 Å²	182	72.6 Å²	72.6	69%	0.687	34%	0.343	S	S	*	.	H	α-helix	trans	-62.5	-33.9	172.4	-164.5	175.3	-166.7	174.3	3.7	111.4	T568 I569 L570 S575	T568-R572 WeakPolarHBondContact O-CB 3Å; T568-R572 PolarHBondContact O-N 3.32Å; T568-R572 VanDerWaalsContact O-N 3.07Å; I569-R572 WeakPolarHBondContact O-CB 3.16Å; I569-R572 PolarHBondContact O-N 2.84Å; L570-R572 PolarHBondContact O-N 2.74Å; R572-S575 PolarHBondContact O-OG 2.91Å
573	I	85.6	Confident	89.2	Confident	43 Å²	43	80.4 Å²	80.4	22%	0.221	37%	0.373	C	S	.	.	H	α-helix	trans	-80.2	-47.7	179.7	-58.7	166.9	0	0	0	111.2	I569 L570 N571 S575 K576 W614	I569-I573 HydrophobicContact CG2-CD1 4.03Å; I569-I573 WeakPolarHBondContact O-CG1 3.47Å; I569-I573 PolarHBondContact O-N 3.06Å; I569-I573 VanDerWaalsContact O-N 3.15Å; L570-I573 PolarHBondContact O-N 3.48Å; L570-I573 VanDerWaalsContact O-N 3.13Å; N571-I573 PolarHBondContact O-N 2.64Å; I573-S575 PolarHBondContact O-N 3.19Å; I573-K576 WeakPolarHBondContact O-CB 3.49Å; I573-K576 PolarHBondContact O-N 3.17Å; I573-W614 HydrophobicContact CB-CH2 4.25Å; I573-W614 HydrophobicContact CD1-CH2 3.26Å; I573-W614 HydrophobicContact CD1-CZ2 4.09Å; I573-W614 HydrophobicContact CD1-CZ3 3.53Å; I573-W614 HydrophobicContact CG1-CH2 4.26Å; I573-W614 HydrophobicContact CG2-CH2 3.75Å
574	I	86.1	Confident	89.1	Confident	16 Å²	16	79.6 Å²	79.6	8%	0.082	37%	0.37	C	S	.	.	H	α-helix	trans	-57.5	-36.5	175.8	-80.9	179.6	0	0	0	112	L570 K576 H577 T582 F585 F672	L570-I574 PolarHBondContact O-N 3.1Å; I574-K576 PolarHBondContact O-N 2.83Å; I574-H577 WeakPolarHBondContact O-CB 3.37Å; I574-H577 PolarHBondContact O-N 2.83Å; I574-T582 HydrophobicContact CG2-CG2 3.47Å; I574-T582 VanDerWaalsContact CG2-CG2 3.47Å; I574-F585 HydrophobicContact CD1-CD2 3.3Å; I574-F585 HydrophobicContact CD1-CE1 4.47Å; I574-F585 HydrophobicContact CD1-CE2 3.02Å; I574-F585 HydrophobicContact CD1-CG 4.23Å; I574-F585 HydrophobicContact CD1-CZ 3.67Å; I574-F585 HydrophobicContact CG1-CD2 4.41Å; I574-F585 HydrophobicContact CG1-CE2 4.04Å; I574-F672 HydrophobicContact CD1-CD1 3.71Å; I574-F672 HydrophobicContact CD1-CE1 3.98Å; I574-F672 HydrophobicContact CG1-CD1 4.41Å; I574-F672 HydrophobicContact CG1-CE1 4.48Å
575	S	86.8	Confident	89.3	Confident	84 Å²	84	72.1 Å²	72.1	59%	0.587	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.7	177.5	73.4	0	0	0	0	114.2	N571 R572 I573	N571-S575 VanDerWaalsContact O-CB 3.31Å; N571-S575 WeakPolarHBondContact O-CB 3.31Å; N571-S575 PolarHBondContact O-N 2.49Å; N571-S575 PolarHBondContact O-OG 2.93Å; R572-S575 PolarHBondContact O-OG 2.91Å; I573-S575 PolarHBondContact O-N 3.19Å
576	K	88.6	Confident	89.4	Confident	161 Å²	161	71.3 Å²	71.3	70%	0.7	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-18	174.7	-59.3	179.9	174.7	178.3	0	112.9	I573 I574 K578	I573-K576 WeakPolarHBondContact O-CB 3.49Å; I573-K576 PolarHBondContact O-N 3.17Å; I574-K576 PolarHBondContact O-N 2.83Å; K576-K578 PolarHBondContact O-N 2.63Å
577	H	88.1	Confident	89.5	Confident	55 Å²	55	74.1 Å²	74.1	26%	0.255	35%	0.353	S	S	.	.			trans	-94.9	80	179.8	-65.7	-63.4	0	0	0	110.5	I574 D579 L580 R625	I574-H577 WeakPolarHBondContact O-CB 3.37Å; I574-H577 PolarHBondContact O-N 2.83Å; H577-D579 VanDerWaalsContact C-OD1 3.3Å; H577-D579 WeakPolarHBondContact CA-OD1 3.39Å; H577-D579 PolarHBondContact O-N 2.95Å; H577-L580 HydrophobicContact CB-CD1 3.81Å; H577-L580 HydrophobicContact CB-CG 4.11Å; H577-L580 PolarHBondContact O-N 3.32Å; H577-R625 PolarHBondContact ND1-NH2 3.19Å
578	K	86	Confident	89.3	Confident	199 Å²	199	73 Å²	73	87%	0.865	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.8	-177.3	-63.4	-171.7	178.7	-175.8	0	114.4	K576 L580	K576-K578 PolarHBondContact O-N 2.63Å; K578-L580 VanDerWaalsContact C-N 3.3Å
579	D	89.3	Confident	89.5	Confident	78 Å²	78	68.4 Å²	68.4	42%	0.417	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.8	175.2	54.2	-52	0	0	0	112.9	H577 R625 G633	H577-D579 VanDerWaalsContact C-OD1 3.3Å; H577-D579 WeakPolarHBondContact CA-OD1 3.39Å; H577-D579 PolarHBondContact O-N 2.95Å; D579-R625 IonicContact OD1-NH2 2.89Å; D579-R625 PolarHBondContact OD1-NH2 3.47Å; D579-R625 IonicContact OD2-CZ 2.94Å; D579-R625 VanDerWaalsContact OD2-CZ 3.27Å; D579-R625 IonicContact OD2-NE 3.58Å; D579-R625 PolarHBondContact OD2-NE 3.45Å; D579-R625 IonicContact OD2-NH2 3.38Å; D579-R625 PolarHBondContact OD2-NH2 2.9Å; D579-G633 WeakPolarHBondContact O-CA 3.28Å
580	L	89.5	Confident	89.8	Confident	16 Å²	16	67.9 Å²	67.9	8%	0.084	32%	0.321	C	S	.	.	S	Bend	trans	-87.2	130.9	-177.9	-59.8	175.2	0	0	0	111.5	H577 K578 T582 L621 F624 F672	H577-L580 HydrophobicContact CB-CD1 3.81Å; H577-L580 HydrophobicContact CB-CG 4.11Å; H577-L580 PolarHBondContact O-N 3.32Å; K578-L580 VanDerWaalsContact C-N 3.3Å; L580-T582 HydrophobicContact CB-CG2 4.09Å; L580-T582 PolarHBondContact O-N 2.9Å; L580-L621 HydrophobicContact CD1-CD1 3.8Å; L580-L621 HydrophobicContact CD2-CD1 4.08Å; L580-L621 HydrophobicContact CG-CD1 4.46Å; L580-F624 HydrophobicContact CD2-CD1 3.81Å; L580-F624 HydrophobicContact CD2-CE1 3.68Å; L580-F672 HydrophobicContact CD1-CB 4.33Å; L580-F672 HydrophobicContact CD1-CD1 4.08Å; L580-F672 HydrophobicContact CD1-CG 4.18Å; L580-F672 HydrophobicContact CD2-CB 4.45Å
581	R	88.5	Confident	89.9	Confident	125 Å²	125	73.5 Å²	73.5	47%	0.472	34%	0.342	S	S	.	.			trans	-83.3	90.9	168.1	-178.5	-174.8	173	-162.4	-3.9	108.1	G633 D667 D671	R581-G633 WeakPolarHBondContact CB-O 3.46Å; R581-G633 PolarHBondContact N-O 2.95Å; R581-D667 IonicContact CZ-OD2 3Å; R581-D667 VanDerWaalsContact CZ-OD2 3.28Å; R581-D667 IonicContact NH1-OD2 2.78Å; R581-D667 PolarHBondContact NH1-OD2 2.96Å; R581-D667 IonicContact NH2-OD2 3.1Å; R581-D667 PolarHBondContact NH2-OD2 3.48Å; R581-D671 VanDerWaalsContact O-CB 3.23Å; R581-D671 WeakPolarHBondContact O-CB 3.48Å
582	T	85.3	Confident	89.9	Confident	39 Å²	39	72 Å²	72	24%	0.239	34%	0.335	C	S	.	.			trans	-151.3	155.7	178	-175.9	0	0	0	0	112.7	I574 L580 G584 D671	I574-T582 HydrophobicContact CG2-CG2 3.47Å; I574-T582 VanDerWaalsContact CG2-CG2 3.47Å; L580-T582 HydrophobicContact CB-CG2 4.09Å; L580-T582 PolarHBondContact O-N 2.9Å; T582-G584 VanDerWaalsContact C-N 3.26Å; T582-G584 PolarHBondContact OG1-N 2.63Å; T582-G584 VanDerWaalsContact OG1-N 3.1Å; T582-D671 PolarHBondContact OG1-OD2 2.96Å; T582-D671 VanDerWaalsContact OG1-OD2 3.06Å
583	K	86.3	Confident	90.2	Very high	194 Å²	194	63.3 Å²	63.3	84%	0.843	30%	0.302	S	S	*	.			trans	-87.1	1.8	170.1	-63.1	172.2	-172.6	158	0	112.4
584	G	91.6	Very high	90.5	Very high	9 Å²	9	61.3 Å²	61.3	9%	0.093	29%	0.292	C	S	.	.			trans	86.9	165.5	-166.9	0	0	0	0	0	111.7	N571 T582 S586	N571-G584 WeakPolarHBondContact OD1-CA 3.13Å; T582-G584 VanDerWaalsContact C-N 3.26Å; T582-G584 PolarHBondContact OG1-N 2.63Å; T582-G584 VanDerWaalsContact OG1-N 3.1Å; G584-S586 PolarHBondContact O-N 3.27Å
585	F	94.4	Very high	90.6	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.009	30%	0.301	C	S	.	.			trans	-56.9	130	175.8	-71.6	-70.3	0	0	0	112.8	L570 N571 I574 M593 I617 F672 D673 V676	L570-F585 HydrophobicContact CB-CD2 3.37Å; L570-F585 HydrophobicContact CB-CE2 3.73Å; L570-F585 HydrophobicContact CB-CG 4.37Å; L570-F585 HydrophobicContact CD1-CD2 3.76Å; L570-F585 HydrophobicContact CD1-CE2 3.86Å; L570-F585 HydrophobicContact CD1-CG 4.27Å; L570-F585 HydrophobicContact CG-CD2 4.17Å; L570-F585 HydrophobicContact CG-CE2 4.26Å; N571-F585 PolarHBondContact ND2-O 3.41Å; N571-F585 VanDerWaalsContact ND2-O 3.1Å; N571-F585 PolarHBondContact OD1-N 2.75Å; I574-F585 HydrophobicContact CD1-CD2 3.3Å; I574-F585 HydrophobicContact CD1-CE1 4.47Å; I574-F585 HydrophobicContact CD1-CE2 3.02Å; I574-F585 HydrophobicContact CD1-CG 4.23Å; I574-F585 HydrophobicContact CD1-CZ 3.67Å; I574-F585 HydrophobicContact CG1-CD2 4.41Å; I574-F585 HydrophobicContact CG1-CE2 4.04Å; F585-M593 HydrophobicContact CD1-CE 3.42Å; F585-M593 VanDerWaalsContact CD1-CE 3.42Å; F585-M593 HydrophobicContact CE1-CE 3.27Å; F585-M593 HydrophobicContact CG-CE 4.27Å; F585-M593 HydrophobicContact CZ-CE 3.93Å; F585-I617 HydrophobicContact CZ-CG2 4.49Å; F585-F672 HydrophobicContact CE2-CE1 4.43Å; F585-F672 HydrophobicContact CZ-CD1 4.16Å; F585-F672 AromaticContact CZ-CE1 3.81Å; F585-F672 HydrophobicContact CZ-CE1 3.81Å; F585-D673 HydrophobicContact CD1-CB 4.31Å; F585-D673 WeakPolarHBondContact CD1-OD1 3.4Å; F585-V676 HydrophobicContact CE1-CB 3.88Å; F585-V676 HydrophobicContact CE1-CG1 4.01Å; F585-V676 HydrophobicContact CE1-CG2 4.19Å; F585-V676 HydrophobicContact CZ-CB 4.4Å; F585-V676 HydrophobicContact CZ-CG1 4.39Å; F585-V676 HydrophobicContact CZ-CG2 4.27Å
586	S	94.5	Very high	90.6	Very high	42 Å²	42	60 Å²	60	29%	0.294	28%	0.278	S	S	.	.			trans	-70.4	162	169	81.6	0	0	0	0	112.1	G584 E588 S589 C590 D673	G584-S586 PolarHBondContact O-N 3.27Å; S586-E588 PolarHBondContact O-N 3.03Å; S586-E588 PolarHBondContact OG-N 2.78Å; S586-S589 PolarHBondContact OG-N 3.4Å; S586-S589 VanDerWaalsContact OG-N 3.07Å; S586-S589 PolarHBondContact OG-OG 3.33Å; S586-C590 PolarHBondContact O-N 2.86Å; S586-C590 PolarHBondContact O-SG 3.1Å; S586-C590 VanDerWaalsContact O-SG 3.41Å; S586-D673 WeakPolarHBondContact CB-OD2 3.44Å; S586-D673 PolarHBondContact N-OD2 3.5Å
587	L	93.9	Very high	90.7	Very high	58 Å²	58	52.7 Å²	52.7	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-61.5	-32.6	171.4	-105.4	147.1	0	0	0	111.9	V563 K564 R591	V563-L587 HydrophobicContact CG1-CD2 3.89Å; K564-L587 HydrophobicContact CG-CD2 4.47Å; L587-R591 WeakPolarHBondContact O-CG 3.21Å; L587-R591 PolarHBondContact O-N 3.38Å
588	E	91.4	Very high	90.6	Very high	84 Å²	84	51.4 Å²	51.4	39%	0.393	24%	0.242	S	C	.	.	H	α-helix	trans	-70	-46.7	-178.3	-171.6	61.9	-171.9	0	0	111.3	S586 C590 R591 S592	S586-E588 PolarHBondContact O-N 3.03Å; S586-E588 PolarHBondContact OG-N 2.78Å; E588-C590 VanDerWaalsContact C-N 3.27Å; E588-C590 PolarHBondContact O-N 3.4Å; E588-R591 WeakPolarHBondContact O-CB 3.22Å; E588-R591 PolarHBondContact O-N 3.48Å; E588-R591 IonicContact OE2-NH1 2.8Å; E588-R591 PolarHBondContact OE2-NH1 2.9Å; E588-R591 VanDerWaalsContact OE2-NH1 3.16Å; E588-S592 PolarHBondContact O-N 2.96Å
589	S	93.9	Very high	90.3	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.014	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-43	174.9	-49	0	0	0	0	111.3	S586 R591 S592 M593 D673	S586-S589 PolarHBondContact OG-N 3.4Å; S586-S589 VanDerWaalsContact OG-N 3.07Å; S586-S589 PolarHBondContact OG-OG 3.33Å; S589-R591 PolarHBondContact O-N 3.16Å; S589-S592 PolarHBondContact O-N 3.12Å; S589-M593 VanDerWaalsContact O-CG 3.23Å; S589-M593 WeakPolarHBondContact O-CG 3.23Å; S589-M593 PolarHBondContact O-N 3Å; S589-D673 WeakPolarHBondContact CB-OD1 3.38Å; S589-D673 PolarHBondContact OG-OD1 2.98Å
590	C	95	Very high	90	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-36.3	175.4	-66.9	0	0	0	0	112.8	V563 L566 R567 S586 E588 M593 V594	V563-C590 HydrophobicContact CG1-CB 3.81Å; L566-C590 HydrophobicContact CD2-CB 4.14Å; L566-C590 HydrophobicContact CG-CB 4.47Å; R567-C590 VanDerWaalsContact CA-SG 3.51Å; R567-C590 HydrophobicContact CB-CB 4.47Å; S586-C590 PolarHBondContact O-N 2.86Å; S586-C590 PolarHBondContact O-SG 3.1Å; S586-C590 VanDerWaalsContact O-SG 3.41Å; E588-C590 VanDerWaalsContact C-N 3.27Å; E588-C590 PolarHBondContact O-N 3.4Å; C590-M593 PolarHBondContact O-N 3.32Å; C590-V594 WeakPolarHBondContact O-CG2 3.45Å; C590-V594 PolarHBondContact O-N 3.32Å
591	R	92.6	Very high	89.6	Confident	121 Å²	121	52.9 Å²	52.9	46%	0.457	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-47.6	173.1	-74.2	-176.8	-170.9	126	-3.3	111.6	V563 L587 E588 S589 M593 V594 N595	V563-R591 HydrophobicContact CG1-CG 3.71Å; V563-R591 HydrophobicContact CG2-CG 4.16Å; L587-R591 WeakPolarHBondContact O-CG 3.21Å; L587-R591 PolarHBondContact O-N 3.38Å; E588-R591 WeakPolarHBondContact O-CB 3.22Å; E588-R591 PolarHBondContact O-N 3.48Å; E588-R591 IonicContact OE2-NH1 2.8Å; E588-R591 PolarHBondContact OE2-NH1 2.9Å; E588-R591 VanDerWaalsContact OE2-NH1 3.16Å; S589-R591 PolarHBondContact O-N 3.16Å; R591-M593 VanDerWaalsContact C-N 3.26Å; R591-M593 PolarHBondContact O-N 2.96Å; R591-V594 PolarHBondContact O-N 3.02Å; R591-N595 WeakPolarHBondContact O-CB 3.23Å; R591-N595 VanDerWaalsContact O-CG 3.28Å; R591-N595 PolarHBondContact O-N 2.84Å; R591-N595 PolarHBondContact O-OD1 3.25Å
592	S	92.1	Very high	89.6	Confident	2 Å²	2	50 Å²	50	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-37.4	177.1	-67.4	0	0	0	0	111.9	E588 S589 N595 L596 V680	E588-S592 PolarHBondContact O-N 2.96Å; S589-S592 PolarHBondContact O-N 3.12Å; S592-N595 PolarHBondContact O-N 3.46Å; S592-L596 PolarHBondContact O-N 2.93Å; S592-V680 VanDerWaalsContact C-CG1 3.46Å; S592-V680 VanDerWaalsContact O-CG1 3.26Å; S592-V680 WeakPolarHBondContact O-CG1 3.3Å
593	M	94	Very high	89.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-44.4	175.1	-72.2	173.2	-153.9	0	0	112.5	L566 L570 F585 S589 C590 R591 L596 M597 L613 I617 V676 V680	L566-M593 HydrophobicContact CD2-CB 4.15Å; L570-M593 HydrophobicContact CD1-CE 4.48Å; L570-M593 HydrophobicContact CD1-SD 3.77Å; F585-M593 HydrophobicContact CD1-CE 3.42Å; F585-M593 VanDerWaalsContact CD1-CE 3.42Å; F585-M593 HydrophobicContact CE1-CE 3.27Å; F585-M593 HydrophobicContact CG-CE 4.27Å; F585-M593 HydrophobicContact CZ-CE 3.93Å; S589-M593 VanDerWaalsContact O-CG 3.23Å; S589-M593 WeakPolarHBondContact O-CG 3.23Å; S589-M593 PolarHBondContact O-N 3Å; C590-M593 PolarHBondContact O-N 3.32Å; R591-M593 VanDerWaalsContact C-N 3.26Å; R591-M593 PolarHBondContact O-N 2.96Å; M593-L596 PolarHBondContact O-N 3.28Å; M593-M597 VanDerWaalsContact O-CG 3.27Å; M593-M597 WeakPolarHBondContact O-CG 3.11Å; M593-M597 PolarHBondContact O-N 3.15Å; M593-L613 HydrophobicContact CB-CD1 3.95Å; M593-L613 HydrophobicContact CB-CD2 4.03Å; M593-L613 HydrophobicContact CG-CD1 4.02Å; M593-L613 HydrophobicContact SD-CD1 4.37Å; M593-I617 HydrophobicContact SD-CD1 4.04Å; M593-V676 HydrophobicContact CE-CB 4.34Å; M593-V676 HydrophobicContact CE-CG1 3.44Å; M593-V676 VanDerWaalsContact CE-CG1 3.44Å; M593-V680 HydrophobicContact CG-CG1 4.27Å; M593-V680 HydrophobicContact CG-CG2 4Å
594	V	92.5	Very high	90	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-62.1	-50.3	175.4	172.7	0	0	0	0	109.6	V563 L566 C590 R591 L596 M597 D598 L605	V563-V594 HydrophobicContact CG2-CB 4.29Å; V563-V594 HydrophobicContact CG2-CG2 3.91Å; L566-V594 HydrophobicContact CD2-CG2 3.83Å; C590-V594 WeakPolarHBondContact O-CG2 3.45Å; C590-V594 PolarHBondContact O-N 3.32Å; R591-V594 PolarHBondContact O-N 3.02Å; V594-L596 PolarHBondContact O-N 3.18Å; V594-L596 VanDerWaalsContact O-N 3.12Å; V594-M597 PolarHBondContact O-N 3.41Å; V594-D598 HydrophobicContact CG1-CB 4.11Å; V594-D598 WeakPolarHBondContact O-CB 3.43Å; V594-D598 PolarHBondContact O-N 3.07Å; V594-L605 HydrophobicContact CG1-CD2 4.4Å; V594-L605 HydrophobicContact CG1-CG 4.47Å; V594-L605 HydrophobicContact CG2-CD1 3.98Å; V594-L605 HydrophobicContact CG2-CG 4.04Å
595	N	87.4	Confident	90	Very high	53 Å²	53	42.8 Å²	42.8	28%	0.283	23%	0.228	S	C	.	.	H	α-helix	trans	-60	-28.2	-179.2	-69.1	-4.8	0	0	0	113.9	R591 S592 F713	R591-N595 WeakPolarHBondContact O-CB 3.23Å; R591-N595 VanDerWaalsContact O-CG 3.28Å; R591-N595 PolarHBondContact O-N 2.84Å; R591-N595 PolarHBondContact O-OD1 3.25Å; S592-N595 PolarHBondContact O-N 3.46Å; N595-F713 PolarHBondContact ND2-O 2.85Å
596	L	88	Confident	89.9	Confident	19 Å²	19	43.6 Å²	43.6	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-73.6	-32.6	174.7	178.1	63.2	0	0	0	112.3	S592 M593 V594 V680 E683 T684	S592-L596 PolarHBondContact O-N 2.93Å; M593-L596 PolarHBondContact O-N 3.28Å; V594-L596 PolarHBondContact O-N 3.18Å; V594-L596 VanDerWaalsContact O-N 3.12Å; L596-V680 HydrophobicContact CB-CG1 3.98Å; L596-V680 HydrophobicContact CD2-CB 4.32Å; L596-V680 HydrophobicContact CD2-CG1 3.86Å; L596-V680 HydrophobicContact CD2-CG2 4.37Å; L596-E683 HydrophobicContact CD1-CB 4.23Å; L596-E683 HydrophobicContact CD1-CG 3.88Å; L596-E683 HydrophobicContact CD2-CB 4.31Å; L596-E683 HydrophobicContact CD2-CG 4.36Å; L596-T684 WeakPolarHBondContact CB-OG1 3.43Å; L596-T684 VanDerWaalsContact CD1-OG1 3.29Å; L596-T684 WeakPolarHBondContact CD1-OG1 3.35Å
597	M	89.8	Confident	89.6	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-103.4	-28	-167.9	-63.9	-76.9	97.3	0	0	113.7	M593 V594 R599 L605 E609 I612 L613	M593-M597 VanDerWaalsContact O-CG 3.27Å; M593-M597 WeakPolarHBondContact O-CG 3.11Å; M593-M597 PolarHBondContact O-N 3.15Å; V594-M597 PolarHBondContact O-N 3.41Å; M597-R599 PolarHBondContact O-N 3.08Å; M597-L605 HydrophobicContact CB-CD2 3.47Å; M597-L605 VanDerWaalsContact CB-CD2 3.47Å; M597-E609 HydrophobicContact CB-CB 4.42Å; M597-E609 WeakPolarHBondContact O-CG 3.38Å; M597-I612 HydrophobicContact CE-CG2 4.28Å; M597-I612 HydrophobicContact SD-CB 4.22Å; M597-I612 HydrophobicContact SD-CG2 3.78Å; M597-L613 HydrophobicContact CG-CB 3.92Å; M597-L613 HydrophobicContact CG-CD1 4.04Å; M597-L613 HydrophobicContact CG-CG 4.36Å; M597-L613 HydrophobicContact SD-CB 3.93Å; M597-L613 HydrophobicContact SD-CD1 4.48Å
598	D	87	Confident	89.4	Confident	28 Å²	28	41.6 Å²	41.6	15%	0.15	23%	0.225	C	C	.	.			trans	-66.7	94.7	179.5	175.7	11.4	0	0	0	110.1	V594 D600 G601 N602 G603	V594-D598 HydrophobicContact CG1-CB 4.11Å; V594-D598 WeakPolarHBondContact O-CB 3.43Å; V594-D598 PolarHBondContact O-N 3.07Å; D598-D600 PolarHBondContact OD1-N 3.21Å; D598-G601 VanDerWaalsContact OD1-CA 3.3Å; D598-G601 WeakPolarHBondContact OD1-CA 3.36Å; D598-G601 PolarHBondContact OD1-N 2.78Å; D598-G601 WeakPolarHBondContact OD2-CA 3.26Å; D598-N602 PolarHBondContact OD1-N 3.44Å; D598-N602 VanDerWaalsContact OD1-N 3.15Å; D598-N602 PolarHBondContact OD2-N 2.85Å; D598-G603 VanDerWaalsContact OD2-CA 3.26Å; D598-G603 WeakPolarHBondContact OD2-CA 3.26Å; D598-G603 PolarHBondContact OD2-N 3.38Å
599	R	79.1	Confident	89.3	Confident	156 Å²	156	38.7 Å²	38.7	59%	0.589	21%	0.211	S	C	*	.	S	Bend	trans	-85.9	-19.9	-177.6	-70.8	-178.1	178.6	-168.4	1.2	112.6	E535 M597 E609	E535-R599 IonicContact OE2-CZ 3.2Å; E535-R599 IonicContact OE2-NH2 2.67Å; E535-R599 PolarHBondContact OE2-NH2 2.72Å; M597-R599 PolarHBondContact O-N 3.08Å; R599-E609 PolarHBondContact N-OE1 2.81Å
600	D	82.5	Confident	89.2	Confident	106 Å²	106	38.8 Å²	38.8	57%	0.567	21%	0.211	S	C	*	.	S	Bend	trans	-96.7	-11.8	-177.9	71.9	5.1	0	0	0	113.2	D598 N602	D598-D600 PolarHBondContact OD1-N 3.21Å; D600-N602 VanDerWaalsContact CG-ND2 3.35Å; D600-N602 VanDerWaalsContact OD1-CB 3.3Å; D600-N602 WeakPolarHBondContact OD1-CB 3.45Å; D600-N602 PolarHBondContact OD1-N 3.45Å; D600-N602 PolarHBondContact OD1-ND2 3.37Å; D600-N602 VanDerWaalsContact OD1-ND2 3.1Å; D600-N602 PolarHBondContact OD2-ND2 3.04Å
601	G	82.4	Confident	88.9	Confident	61 Å²	61	39.3 Å²	39.3	63%	0.629	21%	0.214	S	C	*	.	S	Bend	trans	80.4	20.3	174.4	0	0	0	0	0	113.6	D598	D598-G601 VanDerWaalsContact OD1-CA 3.3Å; D598-G601 WeakPolarHBondContact OD1-CA 3.36Å; D598-G601 PolarHBondContact OD1-N 2.78Å; D598-G601 WeakPolarHBondContact OD2-CA 3.26Å
602	N	88.3	Confident	88.8	Confident	64 Å²	64	34.1 Å²	34.1	34%	0.342	20%	0.195	S	C	.	.	S	Bend	trans	-86.3	-8.1	-175.4	80.4	27.4	0	0	0	113.9	E560 D598 D600 K604	E560-N602 PolarHBondContact OE1-ND2 2.71Å; D598-N602 PolarHBondContact OD1-N 3.44Å; D598-N602 VanDerWaalsContact OD1-N 3.15Å; D598-N602 PolarHBondContact OD2-N 2.85Å; D600-N602 VanDerWaalsContact CG-ND2 3.35Å; D600-N602 VanDerWaalsContact OD1-CB 3.3Å; D600-N602 WeakPolarHBondContact OD1-CB 3.45Å; D600-N602 PolarHBondContact OD1-N 3.45Å; D600-N602 PolarHBondContact OD1-ND2 3.37Å; D600-N602 VanDerWaalsContact OD1-ND2 3.1Å; D600-N602 PolarHBondContact OD2-ND2 3.04Å; N602-K604 WeakPolarHBondContact OD1-CA 3.31Å; N602-K604 VanDerWaalsContact OD1-CB 3.3Å; N602-K604 WeakPolarHBondContact OD1-CB 3.37Å; N602-K604 PolarHBondContact OD1-N 3.17Å
603	G	87.6	Confident	88.7	Confident	35 Å²	35	34.1 Å²	34.1	36%	0.361	20%	0.195	S	C	.	.	S	Bend	trans	81.1	15.3	178.5	0	0	0	0	0	114.8	D598	D598-G603 VanDerWaalsContact OD2-CA 3.26Å; D598-G603 WeakPolarHBondContact OD2-CA 3.26Å; D598-G603 PolarHBondContact OD2-N 3.38Å
604	K	91.8	Very high	88.5	Confident	57 Å²	57	36 Å²	36	25%	0.248	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	-177.8	178.7	-55.6	174.6	-175.6	173.9	0	110.2	D558 E560 I561 N602	D558-K604 IonicContact OD2-NZ 2.79Å; D558-K604 PolarHBondContact OD2-NZ 2.99Å; E560-K604 HydrophobicContact CB-CB 4Å; E560-K604 HydrophobicContact CB-CD 3.74Å; E560-K604 HydrophobicContact CG-CD 4.5Å; E560-K604 WeakPolarHBondContact OE2-CD 3.28Å; E560-K604 IonicContact OE2-NZ 3.27Å; E560-K604 PolarHBondContact OE2-NZ 3.48Å; E560-K604 VanDerWaalsContact OE2-NZ 3.07Å; I561-K604 WeakPolarHBondContact O-CA 3.48Å; N602-K604 WeakPolarHBondContact OD1-CA 3.31Å; N602-K604 VanDerWaalsContact OD1-CB 3.3Å; N602-K604 WeakPolarHBondContact OD1-CB 3.37Å; N602-K604 PolarHBondContact OD1-N 3.17Å
605	L	92.1	Very high	88.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.8	-178.3	-60.4	174.1	0	0	0	112.1	E560 I561 L566 V594 M597 E609 F610 L613	E560-L605 WeakPolarHBondContact CA-O 3.45Å; I561-L605 HydrophobicContact CB-CB 4.41Å; I561-L605 PolarHBondContact N-O 2.56Å; I561-L605 PolarHBondContact O-N 2.68Å; L566-L605 HydrophobicContact CD2-CD1 4.12Å; V594-L605 HydrophobicContact CG1-CD2 4.4Å; V594-L605 HydrophobicContact CG1-CG 4.47Å; V594-L605 HydrophobicContact CG2-CD1 3.98Å; V594-L605 HydrophobicContact CG2-CG 4.04Å; M597-L605 HydrophobicContact CB-CD2 3.47Å; M597-L605 VanDerWaalsContact CB-CD2 3.47Å; L605-E609 WeakPolarHBondContact CA-OE2 3.32Å; L605-E609 HydrophobicContact CB-CB 4.43Å; L605-E609 HydrophobicContact CD2-CB 3.97Å; L605-F610 HydrophobicContact CB-CB 4.43Å; L605-L613 HydrophobicContact CD1-CD2 3.59Å
606	G	91.6	Very high	88.5	Confident	19 Å²	19	38.3 Å²	38.3	20%	0.196	21%	0.213	C	C	.	.			trans	-74.8	177.5	166.8	0	0	0	0	0	112.9	V608 E609 F610	G606-V608 PolarHBondContact O-N 2.94Å; G606-E609 PolarHBondContact N-OE2 2.84Å; G606-E609 PolarHBondContact O-N 3.47Å; G606-F610 VanDerWaalsContact O-CB 3.3Å; G606-F610 WeakPolarHBondContact O-CB 3.39Å; G606-F610 PolarHBondContact O-N 2.89Å
607	L	89.3	Confident	88.7	Confident	18 Å²	18	38 Å²	38	9%	0.094	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-46.4	-177	174.2	64.2	0	0	0	112.8	E540 I543 F547 K548 F551 N611	E540-L607 HydrophobicContact CG-CD2 4.07Å; I543-L607 HydrophobicContact CD1-CD2 4.34Å; I543-L607 HydrophobicContact CD1-CG 4Å; F547-L607 HydrophobicContact CD1-CD1 4.25Å; F547-L607 HydrophobicContact CE1-CD1 4.34Å; K548-L607 HydrophobicContact CD-CD2 4.24Å; K548-L607 HydrophobicContact CG-CD1 4.32Å; K548-L607 HydrophobicContact CG-CD2 3.93Å; F551-L607 HydrophobicContact CB-CD1 3.57Å; F551-L607 HydrophobicContact CD1-CB 4.06Å; F551-L607 HydrophobicContact CD1-CD1 3.73Å; F551-L607 HydrophobicContact CD1-CG 4.44Å; F551-L607 HydrophobicContact CD2-CD1 4.05Å; F551-L607 HydrophobicContact CE1-CB 3.91Å; F551-L607 HydrophobicContact CE1-CD1 4.44Å; F551-L607 HydrophobicContact CE2-CB 4.45Å; F551-L607 HydrophobicContact CG-CB 4.4Å; F551-L607 HydrophobicContact CG-CD1 3.5Å; F551-L607 HydrophobicContact CZ-CB 4.12Å; L607-N611 WeakPolarHBondContact O-CB 3.39Å; L607-N611 PolarHBondContact O-N 2.94Å
608	V	88.7	Confident	88.7	Confident	39 Å²	39	45 Å²	45	24%	0.236	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-46.2	-177.6	-180	0	0	0	0	110.7	V537 E540 I543 G606 F610 N611 I612	V537-V608 HydrophobicContact CG1-CG1 3.91Å; E540-V608 HydrophobicContact CG-CG2 3.83Å; I543-V608 HydrophobicContact CD1-CG2 4.16Å; G606-V608 PolarHBondContact O-N 2.94Å; V608-F610 PolarHBondContact O-N 2.89Å; V608-N611 WeakPolarHBondContact O-CB 3.35Å; V608-N611 PolarHBondContact O-N 3.26Å; V608-I612 HydrophobicContact CG1-CD1 4.22Å; V608-I612 WeakPolarHBondContact O-CG1 3.39Å; V608-I612 PolarHBondContact O-N 3.17Å
609	E	90.5	Very high	89	Confident	24 Å²	24	47.2 Å²	47.2	11%	0.112	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-43.4	178.9	-62.4	170.7	148.4	0	0	111.2	M597 R599 L605 G606 N611 I612 L613	M597-E609 HydrophobicContact CB-CB 4.42Å; M597-E609 WeakPolarHBondContact O-CG 3.38Å; R599-E609 PolarHBondContact N-OE1 2.81Å; L605-E609 WeakPolarHBondContact CA-OE2 3.32Å; L605-E609 HydrophobicContact CB-CB 4.43Å; L605-E609 HydrophobicContact CD2-CB 3.97Å; G606-E609 PolarHBondContact N-OE2 2.84Å; G606-E609 PolarHBondContact O-N 3.47Å; E609-N611 VanDerWaalsContact C-N 3.33Å; E609-N611 PolarHBondContact O-N 3.42Å; E609-I612 PolarHBondContact O-N 2.7Å; E609-L613 WeakPolarHBondContact O-CB 3.35Å; E609-L613 PolarHBondContact O-N 2.96Å
610	F	90.8	Very high	89.7	Confident	3 Å²	3	40.2 Å²	40.2	1%	0.013	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-36.5	175.3	-177.1	-109.3	0	0	0	112.4	F547 F551 I561 L566 I569 L605 G606 V608 L613 W614	F547-F610 AromaticContact CE1-CD1 3.81Å; F547-F610 HydrophobicContact CE1-CD1 3.81Å; F547-F610 HydrophobicContact CE1-CE1 4.27Å; F547-F610 HydrophobicContact CE2-CD1 4.5Å; F547-F610 HydrophobicContact CE2-CE1 4.22Å; F547-F610 AromaticContact CZ-CD1 3.47Å; F547-F610 HydrophobicContact CZ-CD1 3.47Å; F547-F610 VanDerWaalsContact CZ-CD1 3.47Å; F547-F610 AromaticContact CZ-CE1 3.59Å; F547-F610 HydrophobicContact CZ-CE1 3.59Å; F551-F610 HydrophobicContact CD2-CB 4.06Å; F551-F610 AromaticContact CD2-CD1 3.65Å; F551-F610 HydrophobicContact CD2-CD1 3.65Å; F551-F610 HydrophobicContact CD2-CE1 4.43Å; F551-F610 HydrophobicContact CD2-CG 4.06Å; F551-F610 HydrophobicContact CE2-CB 3.92Å; F551-F610 HydrophobicContact CE2-CD1 4.33Å; F551-F610 HydrophobicContact CE2-CG 4.29Å; I561-F610 HydrophobicContact CD1-CB 4.27Å; I561-F610 HydrophobicContact CD1-CD1 3.89Å; I561-F610 HydrophobicContact CD1-CD2 3.59Å; I561-F610 HydrophobicContact CD1-CE1 4.08Å; I561-F610 HydrophobicContact CD1-CE2 3.81Å; I561-F610 HydrophobicContact CD1-CG 3.63Å; I561-F610 HydrophobicContact CD1-CZ 4.04Å; L566-F610 HydrophobicContact CD1-CD2 4.15Å; L566-F610 HydrophobicContact CD1-CE2 3.74Å; I569-F610 HydrophobicContact CG2-CZ 4.24Å; L605-F610 HydrophobicContact CB-CB 4.43Å; G606-F610 VanDerWaalsContact O-CB 3.3Å; G606-F610 WeakPolarHBondContact O-CB 3.39Å; G606-F610 PolarHBondContact O-N 2.89Å; V608-F610 PolarHBondContact O-N 2.89Å; F610-L613 PolarHBondContact O-N 3.03Å; F610-W614 VanDerWaalsContact O-CB 3.28Å; F610-W614 WeakPolarHBondContact O-CB 3.46Å; F610-W614 PolarHBondContact O-N 3.49Å
611	N	89.1	Confident	90.2	Very high	12 Å²	12	36.1 Å²	36.1	6%	0.064	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-45.8	175.1	-173	-91.8	0	0	0	112	I543 F547 L607 V608 E609 W614 N615	I543-N611 HydrophobicContact CD1-CB 4.01Å; F547-N611 HydrophobicContact CD1-CB 4.28Å; F547-N611 VanDerWaalsContact CD1-ND2 3.32Å; F547-N611 WeakPolarHBondContact CD1-ND2 3.43Å; F547-N611 HydrophobicContact CE1-CB 3.62Å; F547-N611 VanDerWaalsContact CE1-ND2 3.33Å; F547-N611 WeakPolarHBondContact CE1-ND2 3.48Å; F547-N611 HydrophobicContact CZ-CB 4.14Å; L607-N611 WeakPolarHBondContact O-CB 3.39Å; L607-N611 PolarHBondContact O-N 2.94Å; V608-N611 WeakPolarHBondContact O-CB 3.35Å; V608-N611 PolarHBondContact O-N 3.26Å; E609-N611 VanDerWaalsContact C-N 3.33Å; E609-N611 PolarHBondContact O-N 3.42Å; N611-W614 WeakPolarHBondContact O-CB 3.29Å; N611-W614 PolarHBondContact O-N 2.81Å; N611-N615 PolarHBondContact O-N 3.5Å; N611-N615 PolarHBondContact O-ND2 3.1Å; N611-N615 PolarHBondContact OD1-ND2 3.26Å; N611-N615 VanDerWaalsContact OD1-ND2 3.16Å
612	I	89.3	Confident	90.7	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.062	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-48.8	177	-65.5	167.1	0	0	0	110.1	E535 V537 M597 V608 E609 W614 N615 R616	E535-I612 HydrophobicContact CG-CD1 4.27Å; E535-I612 HydrophobicContact CG-CG2 3.9Å; E535-I612 WeakPolarHBondContact OE1-CG2 3.37Å; V537-I612 HydrophobicContact CG2-CD1 4.21Å; M597-I612 HydrophobicContact CE-CG2 4.28Å; M597-I612 HydrophobicContact SD-CB 4.22Å; M597-I612 HydrophobicContact SD-CG2 3.78Å; V608-I612 HydrophobicContact CG1-CD1 4.22Å; V608-I612 WeakPolarHBondContact O-CG1 3.39Å; V608-I612 PolarHBondContact O-N 3.17Å; E609-I612 PolarHBondContact O-N 2.7Å; I612-W614 VanDerWaalsContact C-N 3.28Å; I612-W614 PolarHBondContact O-N 2.94Å; I612-N615 PolarHBondContact O-N 3.34Å; I612-R616 WeakPolarHBondContact O-CG 3.39Å; I612-R616 PolarHBondContact O-N 2.84Å
613	L	91.3	Very high	91	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-57.2	-43.1	176.9	-178.8	58.7	0	0	0	111.7	L566 M593 M597 L605 E609 F610 N615 R616 I617	L566-L613 HydrophobicContact CD1-CD2 4.01Å; L566-L613 HydrophobicContact CD2-CD2 3.94Å; M593-L613 HydrophobicContact CB-CD1 3.95Å; M593-L613 HydrophobicContact CB-CD2 4.03Å; M593-L613 HydrophobicContact CG-CD1 4.02Å; M593-L613 HydrophobicContact SD-CD1 4.37Å; M597-L613 HydrophobicContact CG-CB 3.92Å; M597-L613 HydrophobicContact CG-CD1 4.04Å; M597-L613 HydrophobicContact CG-CG 4.36Å; M597-L613 HydrophobicContact SD-CB 3.93Å; M597-L613 HydrophobicContact SD-CD1 4.48Å; L605-L613 HydrophobicContact CD1-CD2 3.59Å; E609-L613 WeakPolarHBondContact O-CB 3.35Å; E609-L613 PolarHBondContact O-N 2.96Å; F610-L613 PolarHBondContact O-N 3.03Å; L613-N615 PolarHBondContact O-N 3.24Å; L613-R616 WeakPolarHBondContact O-CB 3.46Å; L613-R616 PolarHBondContact O-N 3.39Å; L613-I617 HydrophobicContact CD1-CD1 4.12Å; L613-I617 HydrophobicContact CD1-CG1 4.28Å; L613-I617 HydrophobicContact CG-CD1 3.99Å; L613-I617 WeakPolarHBondContact O-CG1 3.02Å; L613-I617 PolarHBondContact O-N 2.87Å
614	W	89.3	Confident	91.4	Very high	40 Å²	40	32.6 Å²	32.6	15%	0.152	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-45.2	179.9	-174.3	-111.5	0	0	0	112.2	F547 L570 I573 F610 N611 I612 R616 I617 R618	F547-W614 HydrophobicContact CE2-CB 3.93Å; F547-W614 AromaticContact CE2-CD1 3.41Å; F547-W614 VanDerWaalsContact CE2-CD1 3.41Å; F547-W614 HydrophobicContact CE2-CD2 4.43Å; F547-W614 AromaticContact CE2-CG 3.64Å; F547-W614 HydrophobicContact CE2-CG 3.64Å; F547-W614 HydrophobicContact CZ-CB 3.87Å; F547-W614 HydrophobicContact CZ-CG 4.1Å; L570-W614 HydrophobicContact CD2-CE3 4.15Å; L570-W614 HydrophobicContact CD2-CZ3 3.74Å; I573-W614 HydrophobicContact CB-CH2 4.25Å; I573-W614 HydrophobicContact CD1-CH2 3.26Å; I573-W614 HydrophobicContact CD1-CZ2 4.09Å; I573-W614 HydrophobicContact CD1-CZ3 3.53Å; I573-W614 HydrophobicContact CG1-CH2 4.26Å; I573-W614 HydrophobicContact CG2-CH2 3.75Å; F610-W614 VanDerWaalsContact O-CB 3.28Å; F610-W614 WeakPolarHBondContact O-CB 3.46Å; F610-W614 PolarHBondContact O-N 3.49Å; N611-W614 WeakPolarHBondContact O-CB 3.29Å; N611-W614 PolarHBondContact O-N 2.81Å; I612-W614 VanDerWaalsContact C-N 3.28Å; I612-W614 PolarHBondContact O-N 2.94Å; W614-R616 VanDerWaalsContact C-N 3.3Å; W614-R616 PolarHBondContact O-N 2.97Å; W614-I617 PolarHBondContact O-N 3.37Å; W614-R618 WeakPolarHBondContact O-CG 3.45Å; W614-R618 PolarHBondContact O-N 3.46Å
615	N	89.1	Confident	91.4	Very high	76 Å²	76	34.7 Å²	34.7	41%	0.406	17%	0.171	S	C	.	.	H	α-helix	trans	-63.3	-37.8	177	-69.7	-30.6	0	0	0	111.7	N611 I612 L613 R618 N619	N611-N615 PolarHBondContact O-N 3.5Å; N611-N615 PolarHBondContact O-ND2 3.1Å; N611-N615 PolarHBondContact OD1-ND2 3.26Å; N611-N615 VanDerWaalsContact OD1-ND2 3.16Å; I612-N615 PolarHBondContact O-N 3.34Å; L613-N615 PolarHBondContact O-N 3.24Å; N615-R618 PolarHBondContact O-N 2.94Å; N615-N619 PolarHBondContact O-N 3.41Å
616	R	90.6	Very high	91.5	Very high	26 Å²	26	41 Å²	41	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-50	174.2	-71.2	166.5	166.9	-79.2	3.8	112.2	E535 I612 L613 W614 R618 N619 Y620 E683	E535-R616 IonicContact OE1-CZ 3.07Å; E535-R616 IonicContact OE1-NE 2.87Å; E535-R616 PolarHBondContact OE1-NE 2.99Å; E535-R616 IonicContact OE1-NH2 3.28Å; E535-R616 PolarHBondContact OE1-NH2 3.21Å; I612-R616 WeakPolarHBondContact O-CG 3.39Å; I612-R616 PolarHBondContact O-N 2.84Å; L613-R616 WeakPolarHBondContact O-CB 3.46Å; L613-R616 PolarHBondContact O-N 3.39Å; W614-R616 VanDerWaalsContact C-N 3.3Å; W614-R616 PolarHBondContact O-N 2.97Å; R616-R618 VanDerWaalsContact C-N 3.26Å; R616-R618 PolarHBondContact O-N 3.39Å; R616-N619 WeakPolarHBondContact O-CB 3.13Å; R616-N619 PolarHBondContact O-N 3.16Å; R616-N619 VanDerWaalsContact O-N 3.08Å; R616-Y620 HydrophobicContact CB-CE2 4.1Å; R616-Y620 PolarHBondContact NH1-OH 3.11Å; R616-Y620 WeakPolarHBondContact O-CD2 3.39Å; R616-Y620 VanDerWaalsContact O-CG 3.24Å; R616-Y620 PolarHBondContact O-N 2.98Å; R616-E683 IonicContact CZ-OE1 3.55Å; R616-E683 VanDerWaalsContact CZ-OE1 3.22Å; R616-E683 IonicContact CZ-OE2 3.5Å; R616-E683 IonicContact NH1-OE1 2.88Å; R616-E683 PolarHBondContact NH1-OE1 2.74Å; R616-E683 IonicContact NH1-OE2 3.25Å; R616-E683 PolarHBondContact NH1-OE2 3.13Å; R616-E683 IonicContact NH2-OE1 2.87Å; R616-E683 PolarHBondContact NH2-OE1 2.74Å; R616-E683 IonicContact NH2-OE2 3.91Å
617	I	91.8	Very high	91.5	Very high	11 Å²	11	41 Å²	41	6%	0.056	19%	0.193	C	C	.	.	H	α-helix	trans	-59.3	-39.9	178	-67.6	171.6	0	0	0	110.7	L570 F585 M593 L613 W614 Y620 L621 F672	L570-I617 HydrophobicContact CD1-CD1 3.88Å; L570-I617 HydrophobicContact CD2-CD1 3.67Å; L570-I617 HydrophobicContact CG-CD1 4.45Å; F585-I617 HydrophobicContact CZ-CG2 4.49Å; M593-I617 HydrophobicContact SD-CD1 4.04Å; L613-I617 HydrophobicContact CD1-CD1 4.12Å; L613-I617 HydrophobicContact CD1-CG1 4.28Å; L613-I617 HydrophobicContact CG-CD1 3.99Å; L613-I617 WeakPolarHBondContact O-CG1 3.02Å; L613-I617 PolarHBondContact O-N 2.87Å; W614-I617 PolarHBondContact O-N 3.37Å; I617-Y620 PolarHBondContact O-N 3.47Å; I617-L621 WeakPolarHBondContact O-CB 3.38Å; I617-L621 PolarHBondContact O-N 3.05Å; I617-F672 HydrophobicContact CG2-CE1 4.48Å; I617-F672 HydrophobicContact CG2-CZ 4.4Å
618	R	90.9	Very high	91.5	Very high	156 Å²	156	41 Å²	41	59%	0.589	19%	0.193	S	C	*	.	H	α-helix	trans	-63.1	-42.3	174.8	-74.2	-177.5	65.3	161	2.1	112.5	W614 N615 R616 L621 S622	W614-R618 WeakPolarHBondContact O-CG 3.45Å; W614-R618 PolarHBondContact O-N 3.46Å; N615-R618 PolarHBondContact O-N 2.94Å; R616-R618 VanDerWaalsContact C-N 3.26Å; R616-R618 PolarHBondContact O-N 3.39Å; R618-L621 PolarHBondContact O-N 2.89Å; R618-S622 PolarHBondContact O-N 2.72Å
619	N	92.1	Very high	91.2	Very high	75 Å²	75	44.3 Å²	44.3	40%	0.401	21%	0.209	S	C	.	.	H	α-helix	trans	-63	-47.5	175.4	-173.9	31.9	0	0	0	111	N615 R616 L621 S622 I623	N615-N619 PolarHBondContact O-N 3.41Å; R616-N619 WeakPolarHBondContact O-CB 3.13Å; R616-N619 PolarHBondContact O-N 3.16Å; R616-N619 VanDerWaalsContact O-N 3.08Å; N619-L621 VanDerWaalsContact C-N 3.3Å; N619-L621 PolarHBondContact O-N 2.75Å; N619-S622 WeakPolarHBondContact O-CB 3.39Å; N619-S622 PolarHBondContact O-N 3.37Å; N619-I623 WeakPolarHBondContact O-CG1 3.31Å; N619-I623 PolarHBondContact O-N 2.83Å
620	Y	94	Very high	90.9	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-39.2	176.5	-59.2	-27.5	0	0	0	112.1	R616 I617 S622 I623 F624 V676 L679 V680 E683	R616-Y620 HydrophobicContact CB-CE2 4.1Å; R616-Y620 PolarHBondContact NH1-OH 3.11Å; R616-Y620 WeakPolarHBondContact O-CD2 3.39Å; R616-Y620 VanDerWaalsContact O-CG 3.24Å; R616-Y620 PolarHBondContact O-N 2.98Å; I617-Y620 PolarHBondContact O-N 3.47Å; Y620-S622 VanDerWaalsContact C-N 3.32Å; Y620-S622 PolarHBondContact O-N 3.08Å; Y620-I623 PolarHBondContact O-N 3.14Å; Y620-F624 WeakPolarHBondContact O-CB 3.27Å; Y620-F624 PolarHBondContact O-N 3.3Å; Y620-V676 HydrophobicContact CD2-CG1 4.02Å; Y620-V676 HydrophobicContact CD2-CG2 4.24Å; Y620-V676 HydrophobicContact CE2-CG1 4.48Å; Y620-L679 HydrophobicContact CD1-CD1 3.48Å; Y620-L679 VanDerWaalsContact CD1-CD1 3.48Å; Y620-L679 HydrophobicContact CD2-CD1 4.44Å; Y620-L679 HydrophobicContact CE1-CB 4.34Å; Y620-L679 HydrophobicContact CE1-CD1 3.68Å; Y620-L679 HydrophobicContact CE2-CB 4.35Å; Y620-L679 HydrophobicContact CG-CD1 3.91Å; Y620-V680 HydrophobicContact CE2-CG2 4.26Å; Y620-E683 PolarHBondContact OH-OE2 3.36Å
621	L	93.3	Very high	90.8	Very high	20 Å²	20	56.6 Å²	56.6	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-38.8	174.3	-177.1	60	0	0	0	112.3	L580 I617 R618 N619 R625 F672	L580-L621 HydrophobicContact CD1-CD1 3.8Å; L580-L621 HydrophobicContact CD2-CD1 4.08Å; L580-L621 HydrophobicContact CG-CD1 4.46Å; I617-L621 WeakPolarHBondContact O-CB 3.38Å; I617-L621 PolarHBondContact O-N 3.05Å; R618-L621 PolarHBondContact O-N 2.89Å; N619-L621 VanDerWaalsContact C-N 3.3Å; N619-L621 PolarHBondContact O-N 2.75Å; L621-R625 WeakPolarHBondContact O-CG 3.19Å; L621-R625 PolarHBondContact O-N 3.42Å; L621-R625 VanDerWaalsContact O-N 3.09Å; L621-F672 HydrophobicContact CB-CE2 3.99Å; L621-F672 HydrophobicContact CB-CZ 3.72Å; L621-F672 HydrophobicContact CD1-CD2 4.3Å; L621-F672 HydrophobicContact CD1-CE1 4.31Å; L621-F672 HydrophobicContact CD1-CE2 3.91Å; L621-F672 HydrophobicContact CD1-CZ 3.91Å; L621-F672 HydrophobicContact CG-CZ 4.38Å
622	S	93.9	Very high	90.8	Very high	77 Å²	77	58.5 Å²	58.5	54%	0.538	28%	0.281	S	S	.	.	H	α-helix	trans	-64.9	-43.4	174.7	-174.4	0	0	0	0	111.8	R618 N619 Y620 K626	R618-S622 PolarHBondContact O-N 2.72Å; N619-S622 WeakPolarHBondContact O-CB 3.39Å; N619-S622 PolarHBondContact O-N 3.37Å; Y620-S622 VanDerWaalsContact C-N 3.32Å; Y620-S622 PolarHBondContact O-N 3.08Å; S622-K626 WeakPolarHBondContact O-CB 3.42Å; S622-K626 PolarHBondContact O-N 3.41Å; S622-K626 VanDerWaalsContact O-N 3.12Å
623	I	94.8	Very high	90.8	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-48.9	176.8	-66.3	169.4	0	0	0	109.8	N619 Y620 R625 K626 F627 A643 A647 F675	N619-I623 WeakPolarHBondContact O-CG1 3.31Å; N619-I623 PolarHBondContact O-N 2.83Å; Y620-I623 PolarHBondContact O-N 3.14Å; I623-R625 PolarHBondContact O-N 2.73Å; I623-K626 WeakPolarHBondContact O-CB 3.27Å; I623-K626 PolarHBondContact O-N 2.98Å; I623-F627 HydrophobicContact CG2-CD2 3.82Å; I623-F627 HydrophobicContact CG2-CE2 4.02Å; I623-F627 VanDerWaalsContact O-CD2 3.26Å; I623-F627 WeakPolarHBondContact O-CD2 3.13Å; I623-F627 PolarHBondContact O-N 3Å; I623-F627 VanDerWaalsContact O-N 3.16Å; I623-A643 HydrophobicContact CG2-CB 4.03Å; I623-A647 HydrophobicContact CD1-CB 3.93Å; I623-F675 HydrophobicContact CG2-CZ 3.97Å
624	F	94.2	Very high	90.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-54	-51	179.4	-171.2	-85.3	0	0	0	111.4	L580 Y620 K626 F627 D628 M635 F672 F675	L580-F624 HydrophobicContact CD2-CD1 3.81Å; L580-F624 HydrophobicContact CD2-CE1 3.68Å; Y620-F624 WeakPolarHBondContact O-CB 3.27Å; Y620-F624 PolarHBondContact O-N 3.3Å; F624-K626 VanDerWaalsContact C-N 3.26Å; F624-K626 PolarHBondContact O-N 3.09Å; F624-F627 PolarHBondContact O-N 2.86Å; F624-F627 VanDerWaalsContact O-N 3.15Å; F624-D628 WeakPolarHBondContact O-CB 3.35Å; F624-D628 PolarHBondContact O-N 3.08Å; F624-M635 HydrophobicContact CD2-CE 3.42Å; F624-M635 VanDerWaalsContact CD2-CE 3.42Å; F624-M635 HydrophobicContact CD2-CG 3.97Å; F624-M635 HydrophobicContact CD2-SD 3.89Å; F624-M635 HydrophobicContact CE2-CE 3.72Å; F624-M635 HydrophobicContact CE2-CG 3.78Å; F624-M635 HydrophobicContact CE2-SD 4.26Å; F624-M635 HydrophobicContact CG-CE 4.4Å; F624-M635 HydrophobicContact CG-CG 4.49Å; F624-M635 HydrophobicContact CG-SD 4.39Å; F624-M635 HydrophobicContact CZ-CG 4.15Å; F624-F672 HydrophobicContact CB-CD2 3.9Å; F624-F672 HydrophobicContact CB-CE2 4.04Å; F624-F672 HydrophobicContact CD1-CD2 4.24Å; F624-F672 HydrophobicContact CD2-CB 4.45Å; F624-F672 AromaticContact CD2-CD2 3.69Å; F624-F672 HydrophobicContact CD2-CD2 3.69Å; F624-F672 HydrophobicContact CE2-CB 4.13Å; F624-F672 HydrophobicContact CE2-CD2 4.22Å; F624-F672 AromaticContact CG-CD2 3.68Å; F624-F672 HydrophobicContact CG-CD2 3.68Å; F624-F672 HydrophobicContact CG-CE2 4.34Å; F624-F672 HydrophobicContact CZ-CB 4.15Å; F624-F675 HydrophobicContact CB-CD1 4.17Å; F624-F675 HydrophobicContact CB-CE1 4.07Å; F624-F675 HydrophobicContact CD2-CB 4.03Å; F624-F675 AromaticContact CD2-CD1 3.66Å; F624-F675 HydrophobicContact CD2-CD1 3.66Å; F624-F675 HydrophobicContact CD2-CE1 4.27Å; F624-F675 AromaticContact CD2-CG 3.92Å; F624-F675 HydrophobicContact CD2-CG 3.92Å; F624-F675 HydrophobicContact CE2-CB 4.15Å; F624-F675 HydrophobicContact CG-CD1 4.41Å
625	R	93.1	Very high	90.8	Very high	102 Å²	102	56.2 Å²	56.2	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-63.2	-29.3	177.6	-76.7	-176.5	170.8	136.1	7.4	114.3	H577 D579 L621 I623 F627	H577-R625 PolarHBondContact ND1-NH2 3.19Å; D579-R625 IonicContact OD1-NH2 2.89Å; D579-R625 PolarHBondContact OD1-NH2 3.47Å; D579-R625 IonicContact OD2-CZ 2.94Å; D579-R625 VanDerWaalsContact OD2-CZ 3.27Å; D579-R625 IonicContact OD2-NE 3.58Å; D579-R625 PolarHBondContact OD2-NE 3.45Å; D579-R625 IonicContact OD2-NH2 3.38Å; D579-R625 PolarHBondContact OD2-NH2 2.9Å; L621-R625 WeakPolarHBondContact O-CG 3.19Å; L621-R625 PolarHBondContact O-N 3.42Å; L621-R625 VanDerWaalsContact O-N 3.09Å; I623-R625 PolarHBondContact O-N 2.73Å; R625-F627 VanDerWaalsContact C-N 3.32Å
626	K	93.7	Very high	90.7	Very high	132 Å²	132	54.6 Å²	54.6	57%	0.574	27%	0.267	S	S	*	.	H	α-helix	trans	-70.5	-32.2	177.9	-179.4	-177.2	173.1	-171.7	0	111.5	S622 I623 F624	S622-K626 WeakPolarHBondContact O-CB 3.42Å; S622-K626 PolarHBondContact O-N 3.41Å; S622-K626 VanDerWaalsContact O-N 3.12Å; I623-K626 WeakPolarHBondContact O-CB 3.27Å; I623-K626 PolarHBondContact O-N 2.98Å; F624-K626 VanDerWaalsContact C-N 3.26Å; F624-K626 PolarHBondContact O-N 3.09Å
627	F	91.3	Very high	90.1	Very high	18 Å²	18	53.6 Å²	53.6	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-107.2	-6.7	-174.9	-67.3	-71.1	0	0	0	114.7	I623 F624 R625 L629 M635 E639 M642 A643	I623-F627 HydrophobicContact CG2-CD2 3.82Å; I623-F627 HydrophobicContact CG2-CE2 4.02Å; I623-F627 VanDerWaalsContact O-CD2 3.26Å; I623-F627 WeakPolarHBondContact O-CD2 3.13Å; I623-F627 PolarHBondContact O-N 3Å; I623-F627 VanDerWaalsContact O-N 3.16Å; F624-F627 PolarHBondContact O-N 2.86Å; F624-F627 VanDerWaalsContact O-N 3.15Å; R625-F627 VanDerWaalsContact C-N 3.32Å; F627-L629 PolarHBondContact O-N 3.25Å; F627-M635 HydrophobicContact CB-SD 4.11Å; F627-E639 HydrophobicContact CB-CB 4.45Å; F627-E639 VanDerWaalsContact O-CB 3.3Å; F627-E639 WeakPolarHBondContact O-CB 2.91Å; F627-E639 WeakPolarHBondContact O-CG 3Å; F627-M642 HydrophobicContact CD1-CB 3.76Å; F627-M642 HydrophobicContact CD1-CE 3.69Å; F627-M642 HydrophobicContact CE1-CB 3.69Å; F627-M642 HydrophobicContact CE1-CE 3.51Å; F627-M642 HydrophobicContact CZ-CB 4.41Å; F627-A643 HydrophobicContact CB-CB 4.11Å; F627-A643 HydrophobicContact CD2-CB 3.85Å; F627-A643 HydrophobicContact CG-CB 4.12Å
628	D	89.8	Confident	89.6	Confident	18 Å²	18	55 Å²	55	10%	0.096	27%	0.27	C	S	.	.			trans	-72.2	73.2	160.9	-179.8	13.7	0	0	0	109.2	F624 D630 K631 S632 G633	F624-D628 WeakPolarHBondContact O-CB 3.35Å; F624-D628 PolarHBondContact O-N 3.08Å; D628-D630 VanDerWaalsContact C-N 3.29Å; D628-D630 PolarHBondContact O-N 2.99Å; D628-K631 PolarHBondContact O-N 3.44Å; D628-K631 VanDerWaalsContact OD1-CA 3.23Å; D628-K631 WeakPolarHBondContact OD1-CA 3.24Å; D628-K631 PolarHBondContact OD1-N 3.3Å; D628-S632 PolarHBondContact OD1-N 2.91Å; D628-S632 PolarHBondContact OD1-OG 3Å; D628-G633 VanDerWaalsContact OD2-CA 3.24Å; D628-G633 WeakPolarHBondContact OD2-CA 3.15Å; D628-G633 PolarHBondContact OD2-N 3.42Å
629	L	82.5	Confident	89.4	Confident	109 Å²	109	48.3 Å²	48.3	57%	0.571	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-31.4	-170.1	-62.7	175.5	0	0	0	111.6	F627 K631 E639	F627-L629 PolarHBondContact O-N 3.25Å; L629-K631 VanDerWaalsContact C-N 3.34Å; L629-E639 WeakPolarHBondContact CB-OE1 3.26Å; L629-E639 HydrophobicContact CD1-CG 4.46Å; L629-E639 PolarHBondContact N-OE1 3.42Å
630	D	84.8	Confident	89.3	Confident	106 Å²	106	44.8 Å²	44.8	57%	0.567	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.4	177.8	72.1	-1.1	0	0	0	113.6	D628 S632	D628-D630 VanDerWaalsContact C-N 3.29Å; D628-D630 PolarHBondContact O-N 2.99Å; D630-S632 PolarHBondContact O-N 3.41Å; D630-S632 WeakPolarHBondContact OD1-CB 3.39Å; D630-S632 PolarHBondContact OD1-N 3.22Å; D630-S632 PolarHBondContact OD1-OG 3.39Å
631	K	86.9	Confident	89	Confident	180 Å²	180	45.1 Å²	45.1	78%	0.783	23%	0.227	S	C	*	.			trans	56.9	34.2	-178.1	-55.7	-178.4	179.4	179	0	112.1	D628 L629 G633	D628-K631 PolarHBondContact O-N 3.44Å; D628-K631 VanDerWaalsContact OD1-CA 3.23Å; D628-K631 WeakPolarHBondContact OD1-CA 3.24Å; D628-K631 PolarHBondContact OD1-N 3.3Å; L629-K631 VanDerWaalsContact C-N 3.34Å; K631-G633 PolarHBondContact O-N 2.99Å
632	S	89.8	Confident	88.7	Confident	51 Å²	51	47.2 Å²	47.2	36%	0.357	24%	0.237	S	C	.	.	S	Bend	trans	-72.9	-12.7	176.2	65	0	0	0	0	112.6	D628 D630 S634	D628-S632 PolarHBondContact OD1-N 2.91Å; D628-S632 PolarHBondContact OD1-OG 3Å; D630-S632 PolarHBondContact O-N 3.41Å; D630-S632 WeakPolarHBondContact OD1-CB 3.39Å; D630-S632 PolarHBondContact OD1-N 3.22Å; D630-S632 PolarHBondContact OD1-OG 3.39Å; S632-S634 PolarHBondContact OG-N 3.02Å; S632-S634 PolarHBondContact OG-O 3.06Å; S632-S634 PolarHBondContact OG-OG 3.27Å
633	G	89.1	Confident	88.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	78.9	5.6	-171.4	0	0	0	0	0	112.9	D579 R581 D628 K631	D579-G633 WeakPolarHBondContact O-CA 3.28Å; R581-G633 WeakPolarHBondContact CB-O 3.46Å; R581-G633 PolarHBondContact N-O 2.95Å; D628-G633 VanDerWaalsContact OD2-CA 3.24Å; D628-G633 WeakPolarHBondContact OD2-CA 3.15Å; D628-G633 PolarHBondContact OD2-N 3.42Å; K631-G633 PolarHBondContact O-N 2.99Å
634	S	91.5	Very high	88.7	Confident	7 Å²	7	43.1 Å²	43.1	5%	0.049	21%	0.21	C	C	.	.	S	Bend	trans	-136.1	159.4	177.1	48.8	0	0	0	0	109.5	S632	S632-S634 PolarHBondContact OG-N 3.02Å; S632-S634 PolarHBondContact OG-O 3.06Å; S632-S634 PolarHBondContact OG-OG 3.27Å
635	M	90.3	Very high	88.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.1	171.3	-67.2	-170.1	-63.3	0	0	110.2	F624 F627 E639 M640 A643 V670 F675	F624-M635 HydrophobicContact CD2-CE 3.42Å; F624-M635 VanDerWaalsContact CD2-CE 3.42Å; F624-M635 HydrophobicContact CD2-CG 3.97Å; F624-M635 HydrophobicContact CD2-SD 3.89Å; F624-M635 HydrophobicContact CE2-CE 3.72Å; F624-M635 HydrophobicContact CE2-CG 3.78Å; F624-M635 HydrophobicContact CE2-SD 4.26Å; F624-M635 HydrophobicContact CG-CE 4.4Å; F624-M635 HydrophobicContact CG-CG 4.49Å; F624-M635 HydrophobicContact CG-SD 4.39Å; F624-M635 HydrophobicContact CZ-CG 4.15Å; F627-M635 HydrophobicContact CB-SD 4.11Å; M635-E639 HydrophobicContact CB-CB 4.11Å; M635-E639 HydrophobicContact CG-CB 4.41Å; M635-M640 HydrophobicContact CE-SD 3.83Å; M635-A643 HydrophobicContact CE-CB 4.01Å; M635-A643 HydrophobicContact SD-CB 3.66Å; M635-V670 PolarHBondContact N-O 3.05Å; M635-V670 PolarHBondContact O-N 3.43Å; M635-F675 HydrophobicContact CE-CB 3.96Å; M635-F675 HydrophobicContact CE-CD1 4.07Å; M635-F675 HydrophobicContact CE-CD2 3.17Å; M635-F675 HydrophobicContact CE-CE1 4.31Å; M635-F675 HydrophobicContact CE-CE2 3.47Å; M635-F675 VanDerWaalsContact CE-CE2 3.47Å; M635-F675 HydrophobicContact CE-CG 3.46Å; M635-F675 VanDerWaalsContact CE-CG 3.46Å; M635-F675 HydrophobicContact CE-CZ 4.02Å
636	S	86.5	Confident	88.4	Confident	41 Å²	41	43.1 Å²	43.1	29%	0.287	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	159.2	161.1	67	0	0	0	0	110.4	Y638 E639 M640	S636-Y638 PolarHBondContact O-N 2.59Å; S636-Y638 VanDerWaalsContact O-N 3.15Å; S636-E639 VanDerWaalsContact CB-OE2 3.3Å; S636-E639 WeakPolarHBondContact CB-OE2 3.43Å; S636-E639 PolarHBondContact N-OE2 3.25Å; S636-E639 PolarHBondContact O-N 3.36Å; S636-E639 VanDerWaalsContact O-N 3.14Å; S636-E639 VanDerWaalsContact OG-CD 3.3Å; S636-E639 WeakPolarHBondContact OG-CG 3.38Å; S636-E639 PolarHBondContact OG-N 2.89Å; S636-E639 PolarHBondContact OG-OE2 3.14Å; S636-M640 PolarHBondContact O-N 3.44Å
637	A	78	Confident	88.4	Confident	6 Å²	6	37.3 Å²	37.3	5%	0.05	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-22.7	176.3	0	0	0	0	0	113.8	G378 I660	G378-A637 VanDerWaalsContact C-CB 3.49Å; G378-A637 CarbonylContact O-C 3.56Å; G378-A637 WeakPolarHBondContact O-CB 3.42Å; A637-I660 HydrophobicContact CB-CB 4.44Å; A637-I660 HydrophobicContact CB-CD1 3.41Å; A637-I660 VanDerWaalsContact CB-CD1 3.41Å; A637-I660 HydrophobicContact CB-CG1 3.77Å; A637-I660 HydrophobicContact CB-CG2 3.78Å
638	Y	80.1	Confident	88.5	Confident	41 Å²	41	37.2 Å²	37.2	16%	0.161	20%	0.2	C	C	.	.	H	α-helix	trans	-76.3	-41.9	173.3	-52.5	-58.7	0	0	0	112.6	G378 T390 V393 S636 M640 R641	G378-Y638 WeakPolarHBondContact O-CE1 3.33Å; T390-Y638 HydrophobicContact CG2-CD2 3.94Å; T390-Y638 HydrophobicContact CG2-CE1 4.23Å; T390-Y638 HydrophobicContact CG2-CE2 3.45Å; T390-Y638 VanDerWaalsContact CG2-CE2 3.45Å; V393-Y638 HydrophobicContact CB-CD1 4.2Å; V393-Y638 HydrophobicContact CB-CE1 4.23Å; V393-Y638 HydrophobicContact CG1-CD1 3.7Å; V393-Y638 HydrophobicContact CG1-CE1 4.14Å; V393-Y638 HydrophobicContact CG2-CD1 3.99Å; V393-Y638 HydrophobicContact CG2-CE1 3.52Å; S636-Y638 PolarHBondContact O-N 2.59Å; S636-Y638 VanDerWaalsContact O-N 3.15Å; Y638-M640 VanDerWaalsContact C-N 3.28Å; Y638-M640 PolarHBondContact O-N 2.98Å; Y638-R641 PolarHBondContact O-N 2.86Å
639	E	87.6	Confident	88.7	Confident	15 Å²	15	36.4 Å²	36.4	7%	0.07	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-36.5	174.5	-71.2	161.8	143.8	0	0	110.8	F627 L629 M635 S636 R641 M642 A643	F627-E639 HydrophobicContact CB-CB 4.45Å; F627-E639 VanDerWaalsContact O-CB 3.3Å; F627-E639 WeakPolarHBondContact O-CB 2.91Å; F627-E639 WeakPolarHBondContact O-CG 3Å; L629-E639 WeakPolarHBondContact CB-OE1 3.26Å; L629-E639 HydrophobicContact CD1-CG 4.46Å; L629-E639 PolarHBondContact N-OE1 3.42Å; M635-E639 HydrophobicContact CB-CB 4.11Å; M635-E639 HydrophobicContact CG-CB 4.41Å; S636-E639 VanDerWaalsContact CB-OE2 3.3Å; S636-E639 WeakPolarHBondContact CB-OE2 3.43Å; S636-E639 PolarHBondContact N-OE2 3.25Å; S636-E639 PolarHBondContact O-N 3.36Å; S636-E639 VanDerWaalsContact O-N 3.14Å; S636-E639 VanDerWaalsContact OG-CD 3.3Å; S636-E639 WeakPolarHBondContact OG-CG 3.38Å; S636-E639 PolarHBondContact OG-N 2.89Å; S636-E639 PolarHBondContact OG-OE2 3.14Å; E639-R641 VanDerWaalsContact C-N 3.28Å; E639-R641 PolarHBondContact O-N 3.42Å; E639-M642 PolarHBondContact O-N 2.87Å; E639-M642 VanDerWaalsContact O-N 3.1Å; E639-A643 WeakPolarHBondContact O-CB 3.32Å; E639-A643 PolarHBondContact O-N 3.1Å
640	M	89.4	Confident	89.1	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.1	-41.5	174.6	-175.2	58.9	164.9	0	0	112.2	M635 S636 Y638 M642 A643 I644 I659 I660 V670 F675 C678	M635-M640 HydrophobicContact CE-SD 3.83Å; S636-M640 PolarHBondContact O-N 3.44Å; Y638-M640 VanDerWaalsContact C-N 3.28Å; Y638-M640 PolarHBondContact O-N 2.98Å; M640-M642 PolarHBondContact O-N 3.31Å; M640-A643 PolarHBondContact O-N 3.24Å; M640-I644 HydrophobicContact CE-CD1 3.88Å; M640-I644 HydrophobicContact CE-CG1 4.24Å; M640-I644 HydrophobicContact CG-CD1 3.87Å; M640-I644 HydrophobicContact CG-CG1 4.45Å; M640-I644 WeakPolarHBondContact O-CB 3.46Å; M640-I644 VanDerWaalsContact O-CG1 3.22Å; M640-I644 WeakPolarHBondContact O-CG1 3.48Å; M640-I644 PolarHBondContact O-N 3.03Å; M640-I644 HydrophobicContact SD-CD1 4.04Å; M640-I644 HydrophobicContact SD-CG1 4.13Å; M640-I659 HydrophobicContact CE-CG2 3.87Å; M640-I659 HydrophobicContact CG-CG2 4.47Å; M640-I660 HydrophobicContact CB-CD1 4.03Å; M640-I660 HydrophobicContact CG-CD1 3.88Å; M640-V670 HydrophobicContact CE-CG1 4.17Å; M640-V670 HydrophobicContact CG-CG2 4.47Å; M640-V670 HydrophobicContact SD-CG1 4.25Å; M640-F675 HydrophobicContact CE-CD2 3.8Å; M640-F675 HydrophobicContact CE-CE2 4.49Å; M640-F675 HydrophobicContact SD-CD2 3.49Å; M640-F675 WeakPolarHBondContact SD-CD2 3.45Å; M640-F675 HydrophobicContact SD-CE2 3.93Å; M640-C678 HydrophobicContact CE-CB 3.92Å
641	R	87.9	Confident	89.4	Confident	17 Å²	17	30 Å²	30	6%	0.064	16%	0.158	C	C	.	.	H	α-helix	trans	-59.4	-46.9	176.1	-179.9	166.3	-170.6	-177.8	4.4	111.8	H459 D526 Y638 E639 E645 Y656	H459-R641 VanDerWaalsContact CB-NH2 3.33Å; H459-R641 PolarHBondContact CD2-NH1 3.42Å; H459-R641 PolarHBondContact CD2-NH2 3.41Å; H459-R641 PolarHBondContact CE1-NH1 3.44Å; H459-R641 VanDerWaalsContact CE1-NH1 3.25Å; H459-R641 PolarHBondContact ND1-NH2 2.87Å; H459-R641 PolarHBondContact NE2-NH1 3.04Å; H459-R641 VanDerWaalsContact NE2-NH1 3.15Å; D526-R641 IonicContact OD2-NH2 3.99Å; D526-R641 PolarHBondContact OD2-NH2 2.79Å; Y638-R641 PolarHBondContact O-N 2.86Å; E639-R641 VanDerWaalsContact C-N 3.28Å; E639-R641 PolarHBondContact O-N 3.42Å; R641-E645 PolarHBondContact O-N 2.95Å; R641-Y656 HydrophobicContact CB-CD1 4.33Å; R641-Y656 HydrophobicContact CB-CE1 4.12Å; R641-Y656 HydrophobicContact CG-CD1 4.27Å; R641-Y656 HydrophobicContact CG-CD2 4.29Å; R641-Y656 HydrophobicContact CG-CE1 3.84Å; R641-Y656 HydrophobicContact CG-CE2 3.82Å; R641-Y656 HydrophobicContact CG-CG 4.5Å
642	M	88	Confident	89.5	Confident	63 Å²	63	23.5 Å²	23.5	31%	0.31	13%	0.132	S	C	.	.	H	α-helix	trans	-69.8	-36.4	179.5	-67.6	173.8	42	0	0	112.2	W392 F627 E639 M640 E645 S646	W392-M642 HydrophobicContact CH2-CG 4.18Å; W392-M642 HydrophobicContact CH2-SD 4.31Å; W392-M642 HydrophobicContact CZ2-SD 4.24Å; F627-M642 HydrophobicContact CD1-CB 3.76Å; F627-M642 HydrophobicContact CD1-CE 3.69Å; F627-M642 HydrophobicContact CE1-CB 3.69Å; F627-M642 HydrophobicContact CE1-CE 3.51Å; F627-M642 HydrophobicContact CZ-CB 4.41Å; E639-M642 PolarHBondContact O-N 2.87Å; E639-M642 VanDerWaalsContact O-N 3.1Å; M640-M642 PolarHBondContact O-N 3.31Å; M642-E645 PolarHBondContact O-N 2.82Å; M642-S646 WeakPolarHBondContact O-CB 3.47Å; M642-S646 PolarHBondContact O-N 3.17Å
643	A	93.5	Very high	89.3	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.6	-42.6	177.4	0	0	0	0	0	112	I623 F627 M635 E639 M640 S646 A647 F675	I623-A643 HydrophobicContact CG2-CB 4.03Å; F627-A643 HydrophobicContact CB-CB 4.11Å; F627-A643 HydrophobicContact CD2-CB 3.85Å; F627-A643 HydrophobicContact CG-CB 4.12Å; M635-A643 HydrophobicContact CE-CB 4.01Å; M635-A643 HydrophobicContact SD-CB 3.66Å; E639-A643 WeakPolarHBondContact O-CB 3.32Å; E639-A643 PolarHBondContact O-N 3.1Å; M640-A643 PolarHBondContact O-N 3.24Å; A643-S646 PolarHBondContact O-N 3.27Å; A643-A647 WeakPolarHBondContact O-CB 3.32Å; A643-A647 PolarHBondContact O-N 3.39Å; A643-F675 HydrophobicContact CB-CE2 3.84Å; A643-F675 HydrophobicContact CB-CZ 4.05Å
644	I	93.9	Very high	89.1	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-44.4	175.6	-71.4	169.1	0	0	0	110.9	M640 S646 A647 G648 F649 L651 Y656 I659 L679 L682	M640-I644 HydrophobicContact CE-CD1 3.88Å; M640-I644 HydrophobicContact CE-CG1 4.24Å; M640-I644 HydrophobicContact CG-CD1 3.87Å; M640-I644 HydrophobicContact CG-CG1 4.45Å; M640-I644 WeakPolarHBondContact O-CB 3.46Å; M640-I644 VanDerWaalsContact O-CG1 3.22Å; M640-I644 WeakPolarHBondContact O-CG1 3.48Å; M640-I644 PolarHBondContact O-N 3.03Å; M640-I644 HydrophobicContact SD-CD1 4.04Å; M640-I644 HydrophobicContact SD-CG1 4.13Å; I644-S646 VanDerWaalsContact C-N 3.34Å; I644-S646 PolarHBondContact O-N 3.48Å; I644-A647 WeakPolarHBondContact O-CB 3.41Å; I644-A647 PolarHBondContact O-N 2.75Å; I644-A647 VanDerWaalsContact O-N 3.11Å; I644-G648 PolarHBondContact O-N 3.11Å; I644-F649 CarbonylContact C-O 3.59Å; I644-F649 HydrophobicContact CG2-CB 3.59Å; I644-F649 HydrophobicContact CG2-CG 4.47Å; I644-F649 PolarHBondContact O-N 3.34Å; I644-F649 VanDerWaalsContact O-N 3.09Å; I644-L651 HydrophobicContact CG2-CD1 3.91Å; I644-L651 HydrophobicContact CG2-CG 4.34Å; I644-Y656 HydrophobicContact CB-CE1 4.17Å; I644-Y656 HydrophobicContact CD1-CD1 4.19Å; I644-Y656 HydrophobicContact CD1-CE1 3.89Å; I644-Y656 HydrophobicContact CG2-CE1 4.05Å; I644-I659 HydrophobicContact CD1-CD1 4Å; I644-I659 HydrophobicContact CD1-CG2 4.07Å; I644-L679 HydrophobicContact CG1-CD2 4.1Å; I644-L682 HydrophobicContact CG2-CD2 4.48Å
645	E	91.1	Very high	89.1	Confident	50 Å²	50	28.7 Å²	28.7	23%	0.234	15%	0.15	C	C	.	.	H	α-helix	trans	-59.6	-44.3	173.6	-78.4	179	-172.5	0	0	112	K461 R641 M642 A647 G648 F649 K650	K461-E645 IonicContact NZ-OE1 3.84Å; K461-E645 PolarHBondContact NZ-OE1 2.79Å; K461-E645 IonicContact NZ-OE2 2.69Å; K461-E645 PolarHBondContact NZ-OE2 3.25Å; R641-E645 PolarHBondContact O-N 2.95Å; M642-E645 PolarHBondContact O-N 2.82Å; E645-A647 PolarHBondContact O-N 2.9Å; E645-G648 PolarHBondContact O-N 2.75Å; E645-F649 WeakPolarHBondContact CA-O 3.3Å; E645-F649 PolarHBondContact N-O 3.18Å; E645-K650 HydrophobicContact CG-CG 4.47Å
646	S	91.6	Very high	89	Confident	52 Å²	52	29 Å²	29	36%	0.364	15%	0.151	S	C	.	.	H	α-helix	trans	-68.8	-20.7	176.9	-170.7	0	0	0	0	113.6	M642 A643 I644	M642-S646 WeakPolarHBondContact O-CB 3.47Å; M642-S646 PolarHBondContact O-N 3.17Å; A643-S646 PolarHBondContact O-N 3.27Å; I644-S646 VanDerWaalsContact C-N 3.34Å; I644-S646 PolarHBondContact O-N 3.48Å
647	A	93.4	Very high	89.1	Confident	10 Å²	10	28 Å²	28	8%	0.083	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.4	171.7	0	0	0	0	0	112.7	I623 A643 I644 E645 F649 L679	I623-A647 HydrophobicContact CD1-CB 3.93Å; A643-A647 WeakPolarHBondContact O-CB 3.32Å; A643-A647 PolarHBondContact O-N 3.39Å; I644-A647 WeakPolarHBondContact O-CB 3.41Å; I644-A647 PolarHBondContact O-N 2.75Å; I644-A647 VanDerWaalsContact O-N 3.11Å; E645-A647 PolarHBondContact O-N 2.9Å; A647-F649 HydrophobicContact CB-CD2 4.13Å; A647-F649 HydrophobicContact CB-CE2 4.43Å; A647-L679 HydrophobicContact CB-CD1 3.82Å; A647-L679 HydrophobicContact CB-CD2 3.93Å
648	G	92.8	Very high	89.6	Confident	16 Å²	16	31.2 Å²	31.2	17%	0.165	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.2	6.7	176.2	0	0	0	0	0	114.5	N531 I644 E645	N531-G648 PolarHBondContact N-O 3.41Å; N531-G648 WeakPolarHBondContact O-CA 3.35Å; I644-G648 PolarHBondContact O-N 3.11Å; E645-G648 PolarHBondContact O-N 2.75Å
649	F	93.8	Very high	90.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.8	-178.7	-59.4	-81.9	0	0	0	111.6	Q529 A530 L532 I644 E645 A647 L651 L679 L682 E683 F686	Q529-F649 CarbonylContact O-C 3.36Å; Q529-F649 WeakPolarHBondContact O-CA 3.23Å; A530-F649 HydrophobicContact CB-CD1 3.66Å; A530-F649 HydrophobicContact CB-CE1 3.82Å; L532-F649 HydrophobicContact CD2-CE1 3.93Å; L532-F649 HydrophobicContact CD2-CE2 3.98Å; L532-F649 HydrophobicContact CD2-CZ 3.5Å; L532-F649 VanDerWaalsContact CD2-CZ 3.5Å; I644-F649 CarbonylContact C-O 3.59Å; I644-F649 HydrophobicContact CG2-CB 3.59Å; I644-F649 HydrophobicContact CG2-CG 4.47Å; I644-F649 PolarHBondContact O-N 3.34Å; I644-F649 VanDerWaalsContact O-N 3.09Å; E645-F649 WeakPolarHBondContact CA-O 3.3Å; E645-F649 PolarHBondContact N-O 3.18Å; A647-F649 HydrophobicContact CB-CD2 4.13Å; A647-F649 HydrophobicContact CB-CE2 4.43Å; F649-L651 HydrophobicContact CB-CG 4.48Å; F649-L679 HydrophobicContact CD2-CD2 3.96Å; F649-L679 HydrophobicContact CE2-CD2 3.94Å; F649-L682 HydrophobicContact CB-CD2 3.88Å; F649-L682 HydrophobicContact CD1-CD2 3.53Å; F649-L682 HydrophobicContact CD1-CG 3.88Å; F649-L682 HydrophobicContact CD2-CD2 3.88Å; F649-L682 HydrophobicContact CE1-CB 4.42Å; F649-L682 HydrophobicContact CE1-CD2 3.9Å; F649-L682 HydrophobicContact CE1-CG 3.84Å; F649-L682 HydrophobicContact CE2-CD2 4.22Å; F649-L682 HydrophobicContact CG-CD2 3.5Å; F649-L682 VanDerWaalsContact CG-CD2 3.5Å; F649-L682 HydrophobicContact CG-CG 4.34Å; F649-L682 HydrophobicContact CZ-CB 4.41Å; F649-L682 HydrophobicContact CZ-CD2 4.2Å; F649-L682 HydrophobicContact CZ-CG 4.27Å; F649-E683 HydrophobicContact CZ-CB 3.99Å; F649-F686 AromaticContact CD1-CD2 3.91Å; F649-F686 HydrophobicContact CD1-CD2 3.91Å; F649-F686 AromaticContact CD1-CE2 3.77Å; F649-F686 HydrophobicContact CD1-CE2 3.77Å; F649-F686 AromaticContact CE1-CD2 3.76Å; F649-F686 HydrophobicContact CE1-CD2 3.76Å; F649-F686 HydrophobicContact CE1-CE2 4.11Å
650	K	90.4	Very high	90.3	Very high	80 Å²	80	29.6 Å²	29.6	35%	0.348	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.4	165.1	-68.6	-175.2	177.8	-176.3	0	108.3	D526 Q527 I528 Q529 E645	D526-K650 HydrophobicContact CB-CB 4.43Å; Q527-K650 WeakPolarHBondContact O-CB 3.42Å; I528-K650 CarbonylContact C-O 3.47Å; I528-K650 WeakPolarHBondContact CA-O 3.48Å; Q529-K650 HydrophobicContact CB-CB 4.38Å; Q529-K650 PolarHBondContact N-O 3.02Å; Q529-K650 PolarHBondContact O-N 2.78Å; E645-K650 HydrophobicContact CG-CG 4.47Å
651	L	91.5	Very high	90.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.			trans	-131.5	155.8	-175.6	-52.1	176.3	0	0	0	109.1	I528 I644 F649 L655 Y656 I659 L682 F686	I528-L651 HydrophobicContact CG2-CD2 4.46Å; I644-L651 HydrophobicContact CG2-CD1 3.91Å; I644-L651 HydrophobicContact CG2-CG 4.34Å; F649-L651 HydrophobicContact CB-CG 4.48Å; L651-L655 HydrophobicContact CB-CB 4.03Å; L651-L655 HydrophobicContact CB-CD1 4.23Å; L651-L655 HydrophobicContact CD1-CB 4.39Å; L651-L655 HydrophobicContact CD2-CD1 4.05Å; L651-Y656 HydrophobicContact CB-CD2 4.36Å; L651-Y656 HydrophobicContact CB-CE1 4.33Å; L651-Y656 HydrophobicContact CB-CE2 3.97Å; L651-Y656 HydrophobicContact CD1-CE1 4.2Å; L651-Y656 WeakPolarHBondContact O-CE2 3.36Å; L651-I659 HydrophobicContact CD1-CD1 3.4Å; L651-I659 VanDerWaalsContact CD1-CD1 3.4Å; L651-L682 HydrophobicContact CD1-CD1 4.44Å; L651-L682 HydrophobicContact CD1-CD2 3.87Å; L651-L682 HydrophobicContact CD2-CD1 4.25Å; L651-L682 HydrophobicContact CD2-CD2 4.23Å; L651-F686 HydrophobicContact CD2-CE2 4.1Å; L651-F686 HydrophobicContact CD2-CZ 4.21Å
652	N	89.2	Confident	90.5	Very high	44 Å²	44	41.7 Å²	41.7	24%	0.235	21%	0.211	C	C	.	.			trans	-78.5	166.3	172.9	70	11.6	0	0	0	111.5	D525 K654 L655 Y656	D525-N652 WeakPolarHBondContact OD1-CA 3.17Å; D525-N652 WeakPolarHBondContact OD2-CA 3.5Å; D525-N652 VanDerWaalsContact OD2-CB 3.31Å; D525-N652 WeakPolarHBondContact OD2-CB 3.14Å; N652-K654 PolarHBondContact O-N 3.46Å; N652-K654 PolarHBondContact OD1-N 3.32Å; N652-L655 PolarHBondContact O-N 2.96Å; N652-L655 VanDerWaalsContact O-N 3.16Å; N652-L655 WeakPolarHBondContact OD1-CB 3.27Å; N652-L655 VanDerWaalsContact OD1-CG 3.29Å; N652-L655 WeakPolarHBondContact OD1-CG 3.46Å; N652-L655 PolarHBondContact OD1-N 3.4Å; N652-Y656 WeakPolarHBondContact O-CD2 3.43Å; N652-Y656 PolarHBondContact O-N 3.03Å; N652-Y656 VanDerWaalsContact O-N 3.14Å
653	K	86.3	Confident	90.7	Very high	25 Å²	25	39.5 Å²	39.5	11%	0.109	20%	0.199	C	C	.	.	H	α-helix	trans	-52.7	-39.4	-179.9	76.7	-174.6	-174.9	178.4	0	112.7	T380 P395 E523 D525 L655 Y656 E657	T380-K653 HydrophobicContact CG2-CB 4.26Å; P395-K653 HydrophobicContact CB-CD 4.48Å; P395-K653 HydrophobicContact CG-CD 4.47Å; E523-K653 WeakPolarHBondContact OE1-CD 3.28Å; E523-K653 WeakPolarHBondContact OE1-CE 3.49Å; E523-K653 IonicContact OE1-NZ 2.93Å; E523-K653 PolarHBondContact OE1-NZ 2.96Å; E523-K653 IonicContact OE2-NZ 3.06Å; D525-K653 PolarHBondContact OD1-N 3.01Å; D525-K653 WeakPolarHBondContact OD2-CB 3.26Å; D525-K653 WeakPolarHBondContact OD2-CG 3.43Å; D525-K653 PolarHBondContact OD2-N 3.35Å; K653-L655 VanDerWaalsContact C-N 3.35Å; K653-L655 PolarHBondContact O-N 3.27Å; K653-Y656 PolarHBondContact O-N 2.85Å; K653-E657 WeakPolarHBondContact O-CG 3.37Å; K653-E657 PolarHBondContact O-N 2.81Å
654	K	85.2	Confident	90.6	Very high	86 Å²	86	40.7 Å²	40.7	37%	0.374	21%	0.208	S	C	.	.	H	α-helix	trans	-67.1	-38.4	-175.5	-169.6	171	-176.1	173.4	0	111.3	Q17 N652 L658	Q17-K654 VanDerWaalsContact OE1-CE 3.25Å; Q17-K654 VanDerWaalsContact OE1-NZ 3.1Å; N652-K654 PolarHBondContact O-N 3.46Å; N652-K654 PolarHBondContact OD1-N 3.32Å; K654-L658 WeakPolarHBondContact O-CG 3.33Å; K654-L658 PolarHBondContact O-N 2.67Å; K654-L658 VanDerWaalsContact O-N 3.14Å
655	L	90.2	Very high	90.3	Very high	56 Å²	56	44.1 Å²	44.1	29%	0.293	22%	0.223	S	C	.	.	H	α-helix	trans	-69.4	-39.7	173.6	-72	175.2	0	0	0	111.5	I528 L651 N652 K653 E657 L658 I659	I528-L655 HydrophobicContact CD1-CD1 3.73Å; I528-L655 HydrophobicContact CG1-CD1 3.95Å; I528-L655 HydrophobicContact CG2-CD1 4.4Å; L651-L655 HydrophobicContact CB-CB 4.03Å; L651-L655 HydrophobicContact CB-CD1 4.23Å; L651-L655 HydrophobicContact CD1-CB 4.39Å; L651-L655 HydrophobicContact CD2-CD1 4.05Å; N652-L655 PolarHBondContact O-N 2.96Å; N652-L655 VanDerWaalsContact O-N 3.16Å; N652-L655 WeakPolarHBondContact OD1-CB 3.27Å; N652-L655 VanDerWaalsContact OD1-CG 3.29Å; N652-L655 WeakPolarHBondContact OD1-CG 3.46Å; N652-L655 PolarHBondContact OD1-N 3.4Å; K653-L655 VanDerWaalsContact C-N 3.35Å; K653-L655 PolarHBondContact O-N 3.27Å; L655-E657 PolarHBondContact O-N 2.92Å; L655-L658 HydrophobicContact CD2-CD1 4.48Å; L655-L658 PolarHBondContact O-N 3.35Å; L655-I659 WeakPolarHBondContact O-CB 3.49Å; L655-I659 VanDerWaalsContact O-CG1 3.29Å; L655-I659 WeakPolarHBondContact O-CG1 3.38Å; L655-I659 PolarHBondContact O-N 3.06Å
656	Y	89.8	Confident	90.1	Very high	6 Å²	6	47.8 Å²	47.8	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-44.5	172.9	-74.4	-59.3	0	0	0	112.2	R641 I644 L651 N652 K653 L658 I659 I660	R641-Y656 HydrophobicContact CB-CD1 4.33Å; R641-Y656 HydrophobicContact CB-CE1 4.12Å; R641-Y656 HydrophobicContact CG-CD1 4.27Å; R641-Y656 HydrophobicContact CG-CD2 4.29Å; R641-Y656 HydrophobicContact CG-CE1 3.84Å; R641-Y656 HydrophobicContact CG-CE2 3.82Å; R641-Y656 HydrophobicContact CG-CG 4.5Å; I644-Y656 HydrophobicContact CB-CE1 4.17Å; I644-Y656 HydrophobicContact CD1-CD1 4.19Å; I644-Y656 HydrophobicContact CD1-CE1 3.89Å; I644-Y656 HydrophobicContact CG2-CE1 4.05Å; L651-Y656 HydrophobicContact CB-CD2 4.36Å; L651-Y656 HydrophobicContact CB-CE1 4.33Å; L651-Y656 HydrophobicContact CB-CE2 3.97Å; L651-Y656 HydrophobicContact CD1-CE1 4.2Å; L651-Y656 WeakPolarHBondContact O-CE2 3.36Å; N652-Y656 WeakPolarHBondContact O-CD2 3.43Å; N652-Y656 PolarHBondContact O-N 3.03Å; N652-Y656 VanDerWaalsContact O-N 3.14Å; K653-Y656 PolarHBondContact O-N 2.85Å; Y656-L658 VanDerWaalsContact C-N 3.32Å; Y656-L658 PolarHBondContact O-N 3.41Å; Y656-I659 PolarHBondContact O-N 2.95Å; Y656-I660 WeakPolarHBondContact O-CG1 3.36Å; Y656-I660 PolarHBondContact O-N 3.33Å
657	E	87.1	Confident	89.9	Confident	22 Å²	22	49.1 Å²	49.1	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-43.2	175.9	-73.6	-179.4	173.6	0	0	111.9	T374 R376 T380 K653 L655 T661	T374-E657 PolarHBondContact OG1-OE1 3.01Å; T374-E657 PolarHBondContact OG1-OE2 3.1Å; R376-E657 HydrophobicContact CB-CG 4.19Å; R376-E657 HydrophobicContact CG-CG 4.01Å; R376-E657 WeakPolarHBondContact CG-OE1 3.43Å; T380-E657 HydrophobicContact CG2-CG 4.17Å; T380-E657 WeakPolarHBondContact CG2-OE1 3.27Å; T380-E657 PolarHBondContact OG1-OE1 3.14Å; K653-E657 WeakPolarHBondContact O-CG 3.37Å; K653-E657 PolarHBondContact O-N 2.81Å; L655-E657 PolarHBondContact O-N 2.92Å; E657-T661 WeakPolarHBondContact O-CB 3.29Å; E657-T661 PolarHBondContact O-N 3.34Å; E657-T661 PolarHBondContact O-OG1 3.05Å
658	L	89.3	Confident	89.5	Confident	72 Å²	72	50.5 Å²	50.5	38%	0.377	26%	0.261	S	S	.	.	H	α-helix	trans	-65.5	-41.2	176.1	-71.8	172.7	0	0	0	112.5	V14 K654 L655 Y656 T661 R662	V14-L658 HydrophobicContact CG2-CD1 4.25Å; V14-L658 HydrophobicContact CG2-CD2 3.79Å; K654-L658 WeakPolarHBondContact O-CG 3.33Å; K654-L658 PolarHBondContact O-N 2.67Å; K654-L658 VanDerWaalsContact O-N 3.14Å; L655-L658 HydrophobicContact CD2-CD1 4.48Å; L655-L658 PolarHBondContact O-N 3.35Å; Y656-L658 VanDerWaalsContact C-N 3.32Å; Y656-L658 PolarHBondContact O-N 3.41Å; L658-T661 PolarHBondContact O-N 3.32Å; L658-R662 WeakPolarHBondContact O-CB 3.47Å; L658-R662 PolarHBondContact O-N 3.17Å
659	I	92.2	Very high	89.4	Confident	15 Å²	15	50.2 Å²	50.2	8%	0.077	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-50	177.2	-75.4	169.8	0	0	0	110.1	M640 I644 L651 L655 Y656 T661 R662 Y663	M640-I659 HydrophobicContact CE-CG2 3.87Å; M640-I659 HydrophobicContact CG-CG2 4.47Å; I644-I659 HydrophobicContact CD1-CD1 4Å; I644-I659 HydrophobicContact CD1-CG2 4.07Å; L651-I659 HydrophobicContact CD1-CD1 3.4Å; L651-I659 VanDerWaalsContact CD1-CD1 3.4Å; L655-I659 WeakPolarHBondContact O-CB 3.49Å; L655-I659 VanDerWaalsContact O-CG1 3.29Å; L655-I659 WeakPolarHBondContact O-CG1 3.38Å; L655-I659 PolarHBondContact O-N 3.06Å; Y656-I659 PolarHBondContact O-N 2.95Å; I659-T661 PolarHBondContact O-N 3.05Å; I659-R662 PolarHBondContact O-N 3.13Å; I659-Y663 HydrophobicContact CG2-CD2 4.13Å; I659-Y663 WeakPolarHBondContact O-CB 3.35Å; I659-Y663 WeakPolarHBondContact O-CD2 3.19Å; I659-Y663 PolarHBondContact O-N 3.48Å
660	I	90.9	Very high	89.3	Confident	7 Å²	7	50.2 Å²	50.2	4%	0.036	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-44.4	179	-62.9	-51.3	0	0	0	110.6	A637 M640 Y656 R662 S664 L668	A637-I660 HydrophobicContact CB-CB 4.44Å; A637-I660 HydrophobicContact CB-CD1 3.41Å; A637-I660 VanDerWaalsContact CB-CD1 3.41Å; A637-I660 HydrophobicContact CB-CG1 3.77Å; A637-I660 HydrophobicContact CB-CG2 3.78Å; M640-I660 HydrophobicContact CB-CD1 4.03Å; M640-I660 HydrophobicContact CG-CD1 3.88Å; Y656-I660 WeakPolarHBondContact O-CG1 3.36Å; Y656-I660 PolarHBondContact O-N 3.33Å; I660-R662 PolarHBondContact O-N 3.38Å; I660-S664 VanDerWaalsContact O-CB 3.23Å; I660-S664 WeakPolarHBondContact O-CB 3.44Å; I660-S664 PolarHBondContact O-N 2.72Å; I660-S664 PolarHBondContact O-OG 3.47Å; I660-L668 HydrophobicContact CG2-CD2 4.4Å
661	T	88.8	Confident	89.5	Confident	115 Å²	115	47.3 Å²	47.3	71%	0.706	25%	0.245	S	C	*	.	H	α-helix	trans	-59.6	-34.3	178.3	-56.9	0	0	0	0	112.7	E657 L658 I659	E657-T661 WeakPolarHBondContact O-CB 3.29Å; E657-T661 PolarHBondContact O-N 3.34Å; E657-T661 PolarHBondContact O-OG1 3.05Å; L658-T661 PolarHBondContact O-N 3.32Å; I659-T661 PolarHBondContact O-N 3.05Å
662	R	91.1	Very high	89.6	Confident	156 Å²	156	47.4 Å²	47.4	59%	0.589	25%	0.245	S	C	*	.	H	α-helix	trans	-87.3	-40.1	-176.7	-178.7	172.1	178.3	87.1	-1	113.8	L658 I659 I660	L658-R662 WeakPolarHBondContact O-CB 3.47Å; L658-R662 PolarHBondContact O-N 3.17Å; I659-R662 PolarHBondContact O-N 3.13Å; I660-R662 PolarHBondContact O-N 3.38Å
663	Y	92.6	Very high	89.8	Confident	18 Å²	18	45.9 Å²	45.9	7%	0.071	24%	0.237	C	C	.	.	H	α-helix	trans	-110.9	-8.1	-165.7	-65.5	-73.3	0	0	0	114.2	I659 N674 C677 C678 R681	I659-Y663 HydrophobicContact CG2-CD2 4.13Å; I659-Y663 WeakPolarHBondContact O-CB 3.35Å; I659-Y663 WeakPolarHBondContact O-CD2 3.19Å; I659-Y663 PolarHBondContact O-N 3.48Å; Y663-N674 HydrophobicContact CD1-CB 4.44Å; Y663-N674 VanDerWaalsContact O-CB 3.27Å; Y663-N674 WeakPolarHBondContact O-CB 3.21Å; Y663-C677 HydrophobicContact CE1-CB 4.29Å; Y663-C678 HydrophobicContact CD1-CB 4.06Å; Y663-C678 HydrophobicContact CD2-CB 3.7Å; Y663-C678 HydrophobicContact CE1-CB 4.08Å; Y663-C678 HydrophobicContact CE2-CB 3.71Å; Y663-C678 HydrophobicContact CG-CB 3.88Å; Y663-R681 WeakPolarHBondContact OH-CD 3.41Å
664	S	90.9	Very high	90.2	Very high	25 Å²	25	46.3 Å²	46.3	18%	0.175	24%	0.241	C	C	.	.	S	Bend	trans	-85.2	145	173.1	70.7	0	0	0	0	111.8	I660	I660-S664 VanDerWaalsContact O-CB 3.23Å; I660-S664 WeakPolarHBondContact O-CB 3.44Å; I660-S664 PolarHBondContact O-N 2.72Å; I660-S664 PolarHBondContact O-OG 3.47Å
665	E	89	Confident	90.7	Very high	71 Å²	71	42.2 Å²	42.2	33%	0.332	22%	0.223	S	C	.	.			trans	-70.8	168	169.9	-68.6	-68.9	154.8	0	0	110.6	D667 L668 A669	E665-D667 VanDerWaalsContact CB-OD1 3.31Å; E665-D667 WeakPolarHBondContact CB-OD1 3.4Å; E665-D667 PolarHBondContact O-N 2.71Å; E665-L668 WeakPolarHBondContact O-CA 3.33Å; E665-L668 PolarHBondContact O-N 2.91Å; E665-A669 WeakPolarHBondContact CB-O 3.49Å; E665-A669 PolarHBondContact N-O 2.61Å
666	P	85.7	Confident	90.9	Very high	127 Å²	127	39.6 Å²	39.6	83%	0.825	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.1	-179	-27.6	36.1	0	0	0	115.4	L668	P666-L668 VanDerWaalsContact C-N 3.3Å
667	D	87.3	Confident	91.1	Very high	81 Å²	81	39.7 Å²	39.7	43%	0.433	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	5.8	173.7	65.9	-12.1	0	0	0	113.5	R581 E665 A669	R581-D667 IonicContact CZ-OD2 3Å; R581-D667 VanDerWaalsContact CZ-OD2 3.28Å; R581-D667 IonicContact NH1-OD2 2.78Å; R581-D667 PolarHBondContact NH1-OD2 2.96Å; R581-D667 IonicContact NH2-OD2 3.1Å; R581-D667 PolarHBondContact NH2-OD2 3.48Å; E665-D667 VanDerWaalsContact CB-OD1 3.31Å; E665-D667 WeakPolarHBondContact CB-OD1 3.4Å; E665-D667 PolarHBondContact O-N 2.71Å; D667-A669 PolarHBondContact O-N 3.38Å; D667-A669 WeakPolarHBondContact OD1-CB 3.35Å; D667-A669 PolarHBondContact OD1-N 3.4Å
668	L	86.5	Confident	91.5	Very high	39 Å²	39	38.8 Å²	38.8	20%	0.204	21%	0.207	C	C	.	.	S	Bend	trans	67	13.3	-176.3	-57	167.8	0	0	0	115	R377 I660 E665 P666	R377-L668 HydrophobicContact CB-CD1 4.2Å; R377-L668 HydrophobicContact CG-CD1 3.54Å; I660-L668 HydrophobicContact CG2-CD2 4.4Å; E665-L668 WeakPolarHBondContact O-CA 3.33Å; E665-L668 PolarHBondContact O-N 2.91Å; P666-L668 VanDerWaalsContact C-N 3.3Å
669	A	89.3	Confident	91.8	Very high	10 Å²	10	35.4 Å²	35.4	8%	0.083	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	139.3	170.6	0	0	0	0	0	110.3	E665 D667	E665-A669 WeakPolarHBondContact CB-O 3.49Å; E665-A669 PolarHBondContact N-O 2.61Å; D667-A669 PolarHBondContact O-N 3.38Å; D667-A669 WeakPolarHBondContact OD1-CB 3.35Å; D667-A669 PolarHBondContact OD1-N 3.4Å
670	V	92.7	Very high	91.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.4	171.5	-177.7	0	0	0	0	107.4	M635 M640 N674 F675	M635-V670 PolarHBondContact N-O 3.05Å; M635-V670 PolarHBondContact O-N 3.43Å; M640-V670 HydrophobicContact CE-CG1 4.17Å; M640-V670 HydrophobicContact CG-CG2 4.47Å; M640-V670 HydrophobicContact SD-CG1 4.25Å; V670-N674 HydrophobicContact CG1-CB 4.07Å; V670-F675 HydrophobicContact CG1-CB 4.18Å
671	D	93.1	Very high	91.9	Very high	18 Å²	18	36.4 Å²	36.4	10%	0.096	19%	0.191	C	C	.	.			trans	-81	172	175.7	83.1	-21.8	0	0	0	112.4	R581 T582 D673 N674 F675	R581-D671 VanDerWaalsContact O-CB 3.23Å; R581-D671 WeakPolarHBondContact O-CB 3.48Å; T582-D671 PolarHBondContact OG1-OD2 2.96Å; T582-D671 VanDerWaalsContact OG1-OD2 3.06Å; D671-D673 VanDerWaalsContact C-N 3.3Å; D671-D673 PolarHBondContact O-N 3.26Å; D671-D673 PolarHBondContact OD1-N 3.33Å; D671-N674 PolarHBondContact O-N 3.07Å; D671-N674 VanDerWaalsContact OD1-CB 3.28Å; D671-N674 WeakPolarHBondContact OD1-CB 3.45Å; D671-N674 PolarHBondContact OD1-N 2.86Å; D671-N674 PolarHBondContact OD1-ND2 2.78Å; D671-F675 WeakPolarHBondContact O-CB 3.42Å; D671-F675 PolarHBondContact O-N 2.99Å
672	F	94.1	Very high	92.2	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.013	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-34	-176.5	-173.4	-114.6	0	0	0	113.1	I574 L580 F585 I617 L621 F624 F675 V676	I574-F672 HydrophobicContact CD1-CD1 3.71Å; I574-F672 HydrophobicContact CD1-CE1 3.98Å; I574-F672 HydrophobicContact CG1-CD1 4.41Å; I574-F672 HydrophobicContact CG1-CE1 4.48Å; L580-F672 HydrophobicContact CD1-CB 4.33Å; L580-F672 HydrophobicContact CD1-CD1 4.08Å; L580-F672 HydrophobicContact CD1-CG 4.18Å; L580-F672 HydrophobicContact CD2-CB 4.45Å; F585-F672 HydrophobicContact CE2-CE1 4.43Å; F585-F672 HydrophobicContact CZ-CD1 4.16Å; F585-F672 AromaticContact CZ-CE1 3.81Å; F585-F672 HydrophobicContact CZ-CE1 3.81Å; I617-F672 HydrophobicContact CG2-CE1 4.48Å; I617-F672 HydrophobicContact CG2-CZ 4.4Å; L621-F672 HydrophobicContact CB-CE2 3.99Å; L621-F672 HydrophobicContact CB-CZ 3.72Å; L621-F672 HydrophobicContact CD1-CD2 4.3Å; L621-F672 HydrophobicContact CD1-CE1 4.31Å; L621-F672 HydrophobicContact CD1-CE2 3.91Å; L621-F672 HydrophobicContact CD1-CZ 3.91Å; L621-F672 HydrophobicContact CG-CZ 4.38Å; F624-F672 HydrophobicContact CB-CD2 3.9Å; F624-F672 HydrophobicContact CB-CE2 4.04Å; F624-F672 HydrophobicContact CD1-CD2 4.24Å; F624-F672 HydrophobicContact CD2-CB 4.45Å; F624-F672 AromaticContact CD2-CD2 3.69Å; F624-F672 HydrophobicContact CD2-CD2 3.69Å; F624-F672 HydrophobicContact CE2-CB 4.13Å; F624-F672 HydrophobicContact CE2-CD2 4.22Å; F624-F672 AromaticContact CG-CD2 3.68Å; F624-F672 HydrophobicContact CG-CD2 3.68Å; F624-F672 HydrophobicContact CG-CE2 4.34Å; F624-F672 HydrophobicContact CZ-CB 4.15Å; F672-F675 HydrophobicContact CD2-CD1 4.29Å; F672-F675 HydrophobicContact CE2-CD1 4.32Å; F672-V676 HydrophobicContact CD1-CG2 4.43Å; F672-V676 HydrophobicContact CD2-CG2 4.18Å; F672-V676 HydrophobicContact CE1-CG2 3.98Å; F672-V676 HydrophobicContact CE2-CG2 3.68Å; F672-V676 HydrophobicContact CZ-CG2 3.57Å; F672-V676 WeakPolarHBondContact O-CG2 3.31Å; F672-V676 PolarHBondContact O-N 2.97Å; F672-V676 VanDerWaalsContact O-N 3.1Å
673	D	94.7	Very high	92.2	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.064	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-55.3	176.3	-179.6	22.2	0	0	0	110.7	F585 S586 S589 D671 F675 V676 C677	F585-D673 HydrophobicContact CD1-CB 4.31Å; F585-D673 WeakPolarHBondContact CD1-OD1 3.4Å; S586-D673 WeakPolarHBondContact CB-OD2 3.44Å; S586-D673 PolarHBondContact N-OD2 3.5Å; S589-D673 WeakPolarHBondContact CB-OD1 3.38Å; S589-D673 PolarHBondContact OG-OD1 2.98Å; D671-D673 VanDerWaalsContact C-N 3.3Å; D671-D673 PolarHBondContact O-N 3.26Å; D671-D673 PolarHBondContact OD1-N 3.33Å; D673-F675 VanDerWaalsContact C-N 3.3Å; D673-F675 PolarHBondContact O-N 2.98Å; D673-V676 PolarHBondContact O-N 3.3Å; D673-C677 WeakPolarHBondContact O-CB 3.31Å; D673-C677 PolarHBondContact O-N 3.23Å
674	N	94.3	Very high	92.1	Very high	34 Å²	34	24 Å²	24	18%	0.182	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-37.3	179.6	-76.4	-57.8	0	0	0	112.4	Y663 V670 D671 C678	Y663-N674 HydrophobicContact CD1-CB 4.44Å; Y663-N674 VanDerWaalsContact O-CB 3.27Å; Y663-N674 WeakPolarHBondContact O-CB 3.21Å; V670-N674 HydrophobicContact CG1-CB 4.07Å; D671-N674 PolarHBondContact O-N 3.07Å; D671-N674 VanDerWaalsContact OD1-CB 3.28Å; D671-N674 WeakPolarHBondContact OD1-CB 3.45Å; D671-N674 PolarHBondContact OD1-N 2.86Å; D671-N674 PolarHBondContact OD1-ND2 2.78Å; N674-C678 VanDerWaalsContact O-CB 3.26Å; N674-C678 WeakPolarHBondContact O-CB 3.24Å; N674-C678 PolarHBondContact O-N 3.19Å
675	F	95	Very high	92.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.4	-52.1	175.1	174.4	-119.8	0	0	0	112.1	I623 F624 M635 M640 A643 V670 D671 F672 D673 C678 L679	I623-F675 HydrophobicContact CG2-CZ 3.97Å; F624-F675 HydrophobicContact CB-CD1 4.17Å; F624-F675 HydrophobicContact CB-CE1 4.07Å; F624-F675 HydrophobicContact CD2-CB 4.03Å; F624-F675 AromaticContact CD2-CD1 3.66Å; F624-F675 HydrophobicContact CD2-CD1 3.66Å; F624-F675 HydrophobicContact CD2-CE1 4.27Å; F624-F675 AromaticContact CD2-CG 3.92Å; F624-F675 HydrophobicContact CD2-CG 3.92Å; F624-F675 HydrophobicContact CE2-CB 4.15Å; F624-F675 HydrophobicContact CG-CD1 4.41Å; M635-F675 HydrophobicContact CE-CB 3.96Å; M635-F675 HydrophobicContact CE-CD1 4.07Å; M635-F675 HydrophobicContact CE-CD2 3.17Å; M635-F675 HydrophobicContact CE-CE1 4.31Å; M635-F675 HydrophobicContact CE-CE2 3.47Å; M635-F675 VanDerWaalsContact CE-CE2 3.47Å; M635-F675 HydrophobicContact CE-CG 3.46Å; M635-F675 VanDerWaalsContact CE-CG 3.46Å; M635-F675 HydrophobicContact CE-CZ 4.02Å; M640-F675 HydrophobicContact CE-CD2 3.8Å; M640-F675 HydrophobicContact CE-CE2 4.49Å; M640-F675 HydrophobicContact SD-CD2 3.49Å; M640-F675 WeakPolarHBondContact SD-CD2 3.45Å; M640-F675 HydrophobicContact SD-CE2 3.93Å; A643-F675 HydrophobicContact CB-CE2 3.84Å; A643-F675 HydrophobicContact CB-CZ 4.05Å; V670-F675 HydrophobicContact CG1-CB 4.18Å; D671-F675 WeakPolarHBondContact O-CB 3.42Å; D671-F675 PolarHBondContact O-N 2.99Å; F672-F675 HydrophobicContact CD2-CD1 4.29Å; F672-F675 HydrophobicContact CE2-CD1 4.32Å; D673-F675 VanDerWaalsContact C-N 3.3Å; D673-F675 PolarHBondContact O-N 2.98Å; F675-C678 WeakPolarHBondContact O-CB 3.48Å; F675-C678 PolarHBondContact O-N 3.01Å; F675-L679 HydrophobicContact CD1-CD1 4.4Å; F675-L679 HydrophobicContact CD2-CD1 4.34Å; F675-L679 HydrophobicContact CD2-CG 4.34Å; F675-L679 HydrophobicContact CE1-CD1 3.75Å; F675-L679 HydrophobicContact CE2-CD1 3.7Å; F675-L679 HydrophobicContact CE2-CD2 4.34Å; F675-L679 HydrophobicContact CE2-CG 3.98Å; F675-L679 HydrophobicContact CZ-CD1 3.38Å; F675-L679 HydrophobicContact CZ-CG 4.19Å; F675-L679 PolarHBondContact O-N 3.11Å
676	V	94.6	Very high	92.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.7	-43	-179.3	174.7	0	0	0	0	110.5	F585 M593 Y620 F672 D673 C678 L679 V680	F585-V676 HydrophobicContact CE1-CB 3.88Å; F585-V676 HydrophobicContact CE1-CG1 4.01Å; F585-V676 HydrophobicContact CE1-CG2 4.19Å; F585-V676 HydrophobicContact CZ-CB 4.4Å; F585-V676 HydrophobicContact CZ-CG1 4.39Å; F585-V676 HydrophobicContact CZ-CG2 4.27Å; M593-V676 HydrophobicContact CE-CB 4.34Å; M593-V676 HydrophobicContact CE-CG1 3.44Å; M593-V676 VanDerWaalsContact CE-CG1 3.44Å; Y620-V676 HydrophobicContact CD2-CG1 4.02Å; Y620-V676 HydrophobicContact CD2-CG2 4.24Å; Y620-V676 HydrophobicContact CE2-CG1 4.48Å; F672-V676 HydrophobicContact CD1-CG2 4.43Å; F672-V676 HydrophobicContact CD2-CG2 4.18Å; F672-V676 HydrophobicContact CE1-CG2 3.98Å; F672-V676 HydrophobicContact CE2-CG2 3.68Å; F672-V676 HydrophobicContact CZ-CG2 3.57Å; F672-V676 WeakPolarHBondContact O-CG2 3.31Å; F672-V676 PolarHBondContact O-N 2.97Å; F672-V676 VanDerWaalsContact O-N 3.1Å; D673-V676 PolarHBondContact O-N 3.3Å; V676-C678 VanDerWaalsContact C-N 3.26Å; V676-C678 PolarHBondContact O-N 3.45Å; V676-L679 PolarHBondContact O-N 2.9Å; V676-V680 HydrophobicContact CG1-CG2 3.98Å; V676-V680 WeakPolarHBondContact O-CB 3.1Å; V676-V680 WeakPolarHBondContact O-CG2 3.34Å; V676-V680 PolarHBondContact O-N 3.44Å
677	C	94.7	Very high	92.4	Very high	9 Å²	9	23.2 Å²	23.2	6%	0.061	11%	0.113	C	C	.	.	H	α-helix	trans	-56.7	-42.3	176	-171.5	0	0	0	0	111.6	Y663 D673 R681	Y663-C677 HydrophobicContact CE1-CB 4.29Å; D673-C677 WeakPolarHBondContact O-CB 3.31Å; D673-C677 PolarHBondContact O-N 3.23Å; C677-R681 VanDerWaalsContact O-CB 3.31Å; C677-R681 WeakPolarHBondContact O-CB 3.36Å; C677-R681 PolarHBondContact O-N 2.82Å
678	C	95.1	Very high	92.3	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.02	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-51.8	176.2	178.9	0	0	0	0	111.8	M640 Y663 N674 F675 V676 R681 L682	M640-C678 HydrophobicContact CE-CB 3.92Å; Y663-C678 HydrophobicContact CD1-CB 4.06Å; Y663-C678 HydrophobicContact CD2-CB 3.7Å; Y663-C678 HydrophobicContact CE1-CB 4.08Å; Y663-C678 HydrophobicContact CE2-CB 3.71Å; Y663-C678 HydrophobicContact CG-CB 3.88Å; N674-C678 VanDerWaalsContact O-CB 3.26Å; N674-C678 WeakPolarHBondContact O-CB 3.24Å; N674-C678 PolarHBondContact O-N 3.19Å; F675-C678 WeakPolarHBondContact O-CB 3.48Å; F675-C678 PolarHBondContact O-N 3.01Å; V676-C678 VanDerWaalsContact C-N 3.26Å; V676-C678 PolarHBondContact O-N 3.45Å; C678-R681 PolarHBondContact O-N 2.94Å; C678-L682 VanDerWaalsContact O-CB 3.27Å; C678-L682 WeakPolarHBondContact O-CB 3.4Å; C678-L682 PolarHBondContact O-N 3.07Å
679	L	95.1	Very high	92.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.6	-42.9	-178.2	-69.4	-174.5	0	0	0	112.4	Y620 I644 A647 F649 F675 V676 L682 E683	Y620-L679 HydrophobicContact CD1-CD1 3.48Å; Y620-L679 VanDerWaalsContact CD1-CD1 3.48Å; Y620-L679 HydrophobicContact CD2-CD1 4.44Å; Y620-L679 HydrophobicContact CE1-CB 4.34Å; Y620-L679 HydrophobicContact CE1-CD1 3.68Å; Y620-L679 HydrophobicContact CE2-CB 4.35Å; Y620-L679 HydrophobicContact CG-CD1 3.91Å; I644-L679 HydrophobicContact CG1-CD2 4.1Å; A647-L679 HydrophobicContact CB-CD1 3.82Å; A647-L679 HydrophobicContact CB-CD2 3.93Å; F649-L679 HydrophobicContact CD2-CD2 3.96Å; F649-L679 HydrophobicContact CE2-CD2 3.94Å; F675-L679 HydrophobicContact CD1-CD1 4.4Å; F675-L679 HydrophobicContact CD2-CD1 4.34Å; F675-L679 HydrophobicContact CD2-CG 4.34Å; F675-L679 HydrophobicContact CE1-CD1 3.75Å; F675-L679 HydrophobicContact CE2-CD1 3.7Å; F675-L679 HydrophobicContact CE2-CD2 4.34Å; F675-L679 HydrophobicContact CE2-CG 3.98Å; F675-L679 HydrophobicContact CZ-CD1 3.38Å; F675-L679 HydrophobicContact CZ-CG 4.19Å; F675-L679 PolarHBondContact O-N 3.11Å; V676-L679 PolarHBondContact O-N 2.9Å; L679-L682 PolarHBondContact O-N 2.79Å; L679-E683 WeakPolarHBondContact O-CB 3.49Å; L679-E683 PolarHBondContact O-N 2.96Å
680	V	93.8	Very high	92.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-50.7	176.9	167	0	0	0	0	110.1	S592 M593 L596 Y620 V676 L682 E683 T684	S592-V680 VanDerWaalsContact C-CG1 3.46Å; S592-V680 VanDerWaalsContact O-CG1 3.26Å; S592-V680 WeakPolarHBondContact O-CG1 3.3Å; M593-V680 HydrophobicContact CG-CG1 4.27Å; M593-V680 HydrophobicContact CG-CG2 4Å; L596-V680 HydrophobicContact CB-CG1 3.98Å; L596-V680 HydrophobicContact CD2-CB 4.32Å; L596-V680 HydrophobicContact CD2-CG1 3.86Å; L596-V680 HydrophobicContact CD2-CG2 4.37Å; Y620-V680 HydrophobicContact CE2-CG2 4.26Å; V676-V680 HydrophobicContact CG1-CG2 3.98Å; V676-V680 WeakPolarHBondContact O-CB 3.1Å; V676-V680 WeakPolarHBondContact O-CG2 3.34Å; V676-V680 PolarHBondContact O-N 3.44Å; V680-L682 VanDerWaalsContact C-N 3.34Å; V680-L682 PolarHBondContact O-N 3.24Å; V680-E683 PolarHBondContact O-N 3.27Å; V680-T684 PolarHBondContact O-N 3.03Å; V680-T684 PolarHBondContact O-OG1 2.84Å
681	R	92.6	Very high	92.3	Very high	43 Å²	43	35.8 Å²	35.8	16%	0.162	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-39.4	-179.4	-163.9	-178.9	-176	88.2	7.5	112.1	Y663 C677 C678 T684 M685 A714	Y663-R681 WeakPolarHBondContact OH-CD 3.41Å; C677-R681 VanDerWaalsContact O-CB 3.31Å; C677-R681 WeakPolarHBondContact O-CB 3.36Å; C677-R681 PolarHBondContact O-N 2.82Å; C678-R681 PolarHBondContact O-N 2.94Å; R681-T684 PolarHBondContact O-N 2.79Å; R681-M685 WeakPolarHBondContact O-CG 3.47Å; R681-M685 PolarHBondContact O-N 3.19Å; R681-A714 VanDerWaalsContact CZ-C 3.47Å; R681-A714 PolarHBondContact NH1-O 3.42Å; R681-A714 PolarHBondContact NH1-OXT 2.9Å; R681-A714 PolarHBondContact NH2-O 3Å
682	L	93.4	Very high	92.1	Very high	24 Å²	24	38.5 Å²	38.5	13%	0.126	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-45.4	176.5	-171.7	65.4	0	0	0	110.7	I644 F649 L651 C678 L679 V680 M685 F686	I644-L682 HydrophobicContact CG2-CD2 4.48Å; F649-L682 HydrophobicContact CB-CD2 3.88Å; F649-L682 HydrophobicContact CD1-CD2 3.53Å; F649-L682 HydrophobicContact CD1-CG 3.88Å; F649-L682 HydrophobicContact CD2-CD2 3.88Å; F649-L682 HydrophobicContact CE1-CB 4.42Å; F649-L682 HydrophobicContact CE1-CD2 3.9Å; F649-L682 HydrophobicContact CE1-CG 3.84Å; F649-L682 HydrophobicContact CE2-CD2 4.22Å; F649-L682 HydrophobicContact CG-CD2 3.5Å; F649-L682 VanDerWaalsContact CG-CD2 3.5Å; F649-L682 HydrophobicContact CG-CG 4.34Å; F649-L682 HydrophobicContact CZ-CB 4.41Å; F649-L682 HydrophobicContact CZ-CD2 4.2Å; F649-L682 HydrophobicContact CZ-CG 4.27Å; L651-L682 HydrophobicContact CD1-CD1 4.44Å; L651-L682 HydrophobicContact CD1-CD2 3.87Å; L651-L682 HydrophobicContact CD2-CD1 4.25Å; L651-L682 HydrophobicContact CD2-CD2 4.23Å; C678-L682 VanDerWaalsContact O-CB 3.27Å; C678-L682 WeakPolarHBondContact O-CB 3.4Å; C678-L682 PolarHBondContact O-N 3.07Å; L679-L682 PolarHBondContact O-N 2.79Å; V680-L682 VanDerWaalsContact C-N 3.34Å; V680-L682 PolarHBondContact O-N 3.24Å; L682-M685 PolarHBondContact O-N 3.18Å; L682-F686 HydrophobicContact CD1-CD2 4.19Å; L682-F686 HydrophobicContact CD1-CE2 3.88Å; L682-F686 HydrophobicContact CG-CD2 4.04Å; L682-F686 HydrophobicContact CG-CE2 3.96Å; L682-F686 WeakPolarHBondContact O-CD2 3.46Å; L682-F686 PolarHBondContact O-N 3.42Å
683	E	92.9	Very high	92	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-47.5	175.4	-176.3	159.9	171.1	0	0	112.5	L532 L596 R616 Y620 F649 L679 V680 M685 F686 R687	L532-E683 HydrophobicContact CD1-CG 3.65Å; L532-E683 HydrophobicContact CD2-CG 4.42Å; L596-E683 HydrophobicContact CD1-CB 4.23Å; L596-E683 HydrophobicContact CD1-CG 3.88Å; L596-E683 HydrophobicContact CD2-CB 4.31Å; L596-E683 HydrophobicContact CD2-CG 4.36Å; R616-E683 IonicContact CZ-OE1 3.55Å; R616-E683 VanDerWaalsContact CZ-OE1 3.22Å; R616-E683 IonicContact CZ-OE2 3.5Å; R616-E683 IonicContact NH1-OE1 2.88Å; R616-E683 PolarHBondContact NH1-OE1 2.74Å; R616-E683 IonicContact NH1-OE2 3.25Å; R616-E683 PolarHBondContact NH1-OE2 3.13Å; R616-E683 IonicContact NH2-OE1 2.87Å; R616-E683 PolarHBondContact NH2-OE1 2.74Å; R616-E683 IonicContact NH2-OE2 3.91Å; Y620-E683 PolarHBondContact OH-OE2 3.36Å; F649-E683 HydrophobicContact CZ-CB 3.99Å; L679-E683 WeakPolarHBondContact O-CB 3.49Å; L679-E683 PolarHBondContact O-N 2.96Å; V680-E683 PolarHBondContact O-N 3.27Å; E683-M685 VanDerWaalsContact C-N 3.27Å; E683-M685 PolarHBondContact O-N 3.19Å; E683-F686 PolarHBondContact O-N 3.11Å; E683-F686 VanDerWaalsContact O-N 3.17Å; E683-R687 HydrophobicContact CG-CG 4.25Å; E683-R687 WeakPolarHBondContact O-CG 3.34Å; E683-R687 PolarHBondContact O-N 2.93Å; E683-R687 IonicContact OE1-CZ 2.61Å; E683-R687 IonicContact OE1-NE 2.78Å; E683-R687 PolarHBondContact OE1-NE 2.97Å; E683-R687 IonicContact OE1-NH2 2.72Å; E683-R687 PolarHBondContact OE1-NH2 2.92Å
684	T	89.7	Confident	91.8	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-53.5	-47.7	177.1	-60.5	0	0	0	0	110.4	L596 V680 R681 R687 F688	L596-T684 WeakPolarHBondContact CB-OG1 3.43Å; L596-T684 VanDerWaalsContact CD1-OG1 3.29Å; L596-T684 WeakPolarHBondContact CD1-OG1 3.35Å; V680-T684 PolarHBondContact O-N 3.03Å; V680-T684 PolarHBondContact O-OG1 2.84Å; R681-T684 PolarHBondContact O-N 2.79Å; T684-R687 PolarHBondContact O-N 3.01Å; T684-F688 HydrophobicContact CG2-CD2 3.56Å; T684-F688 HydrophobicContact CG2-CE2 3.28Å; T684-F688 HydrophobicContact CG2-CZ 4.41Å; T684-F688 WeakPolarHBondContact O-CD2 3.31Å; T684-F688 PolarHBondContact O-N 3.49Å
685	M	90.7	Very high	91.7	Very high	97 Å²	97	48 Å²	48	48%	0.478	24%	0.24	S	C	.	.	H	α-helix	trans	-63.5	-42.6	178.6	-71	-172	129.8	0	0	113.1	R681 L682 E683 F689	R681-M685 WeakPolarHBondContact O-CG 3.47Å; R681-M685 PolarHBondContact O-N 3.19Å; L682-M685 PolarHBondContact O-N 3.18Å; E683-M685 VanDerWaalsContact C-N 3.27Å; E683-M685 PolarHBondContact O-N 3.19Å; M685-F689 WeakPolarHBondContact O-CB 3.26Å; M685-F689 PolarHBondContact O-N 3.22Å
686	F	91.6	Very high	91.4	Very high	29 Å²	29	55.1 Å²	55.1	13%	0.127	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-42.1	176.3	-90.8	-77.9	0	0	0	112.6	I528 A530 F649 L651 L682 E683 F689 K690	I528-F686 HydrophobicContact CG2-CE1 3.93Å; I528-F686 HydrophobicContact CG2-CZ 3.54Å; A530-F686 HydrophobicContact CB-CB 4.15Å; A530-F686 HydrophobicContact CB-CD1 3.5Å; A530-F686 HydrophobicContact CB-CD2 3.75Å; A530-F686 HydrophobicContact CB-CE1 3.66Å; A530-F686 HydrophobicContact CB-CE2 3.91Å; A530-F686 HydrophobicContact CB-CG 3.53Å; A530-F686 HydrophobicContact CB-CZ 3.85Å; F649-F686 AromaticContact CD1-CD2 3.91Å; F649-F686 HydrophobicContact CD1-CD2 3.91Å; F649-F686 AromaticContact CD1-CE2 3.77Å; F649-F686 HydrophobicContact CD1-CE2 3.77Å; F649-F686 AromaticContact CE1-CD2 3.76Å; F649-F686 HydrophobicContact CE1-CD2 3.76Å; F649-F686 HydrophobicContact CE1-CE2 4.11Å; L651-F686 HydrophobicContact CD2-CE2 4.1Å; L651-F686 HydrophobicContact CD2-CZ 4.21Å; L682-F686 HydrophobicContact CD1-CD2 4.19Å; L682-F686 HydrophobicContact CD1-CE2 3.88Å; L682-F686 HydrophobicContact CG-CD2 4.04Å; L682-F686 HydrophobicContact CG-CE2 3.96Å; L682-F686 WeakPolarHBondContact O-CD2 3.46Å; L682-F686 PolarHBondContact O-N 3.42Å; E683-F686 PolarHBondContact O-N 3.11Å; E683-F686 VanDerWaalsContact O-N 3.17Å; F686-F689 PolarHBondContact O-N 3.29Å; F686-K690 WeakPolarHBondContact O-CB 3.24Å; F686-K690 WeakPolarHBondContact O-CG 3.44Å; F686-K690 PolarHBondContact O-N 3.46Å
687	R	88.6	Confident	91.3	Very high	80 Å²	80	59.8 Å²	59.8	30%	0.302	30%	0.302	S	S	.	.	H	α-helix	trans	-61.5	-49.3	176.8	-74.4	-175.7	177.5	-121.5	-3.7	110.4	E535 E683 T684 F689 K690 T691	E535-R687 IonicContact OE1-NH2 2.87Å; E535-R687 PolarHBondContact OE1-NH2 3.48Å; E535-R687 IonicContact OE2-CZ 3.37Å; E535-R687 IonicContact OE2-NH1 3.32Å; E535-R687 PolarHBondContact OE2-NH1 3.21Å; E535-R687 IonicContact OE2-NH2 2.74Å; E535-R687 PolarHBondContact OE2-NH2 2.95Å; E683-R687 HydrophobicContact CG-CG 4.25Å; E683-R687 WeakPolarHBondContact O-CG 3.34Å; E683-R687 PolarHBondContact O-N 2.93Å; E683-R687 IonicContact OE1-CZ 2.61Å; E683-R687 IonicContact OE1-NE 2.78Å; E683-R687 PolarHBondContact OE1-NE 2.97Å; E683-R687 IonicContact OE1-NH2 2.72Å; E683-R687 PolarHBondContact OE1-NH2 2.92Å; T684-R687 PolarHBondContact O-N 3.01Å; R687-F689 PolarHBondContact O-N 3.46Å; R687-K690 PolarHBondContact O-N 2.82Å; R687-T691 PolarHBondContact O-N 3.4Å; R687-T691 PolarHBondContact O-OG1 2.99Å
688	F	86.5	Confident	91.1	Very high	90 Å²	90	61.6 Å²	61.6	40%	0.395	32%	0.322	S	S	.	.	H	α-helix	trans	-58.6	-46.7	177.1	-80.5	-55.4	0	0	0	112.7	T684 K690 T691 L692 L710	T684-F688 HydrophobicContact CG2-CD2 3.56Å; T684-F688 HydrophobicContact CG2-CE2 3.28Å; T684-F688 HydrophobicContact CG2-CZ 4.41Å; T684-F688 WeakPolarHBondContact O-CD2 3.31Å; T684-F688 PolarHBondContact O-N 3.49Å; F688-K690 PolarHBondContact O-N 3.4Å; F688-T691 PolarHBondContact O-N 2.88Å; F688-L692 VanDerWaalsContact O-CD1 3.28Å; F688-L692 WeakPolarHBondContact O-CD1 3.2Å; F688-L692 VanDerWaalsContact O-CG 3.28Å; F688-L692 WeakPolarHBondContact O-CG 3.47Å; F688-L692 PolarHBondContact O-N 2.79Å; F688-L692 VanDerWaalsContact O-N 3.12Å; F688-L710 HydrophobicContact CB-CD1 3.97Å; F688-L710 HydrophobicContact CD1-CD1 4.28Å; F688-L710 HydrophobicContact CD2-CD1 4.15Å; F688-L710 HydrophobicContact CG-CD1 3.9Å
689	F	90.6	Very high	90.9	Very high	79 Å²	79	65.7 Å²	65.7	35%	0.346	35%	0.347	S	S	.	.	H	α-helix	trans	-58.2	-50.3	178.3	-170.8	-80.3	0	0	0	111.1	M685 F686 R687 T691 L692 D693 G698 V700	M685-F689 WeakPolarHBondContact O-CB 3.26Å; M685-F689 PolarHBondContact O-N 3.22Å; F686-F689 PolarHBondContact O-N 3.29Å; R687-F689 PolarHBondContact O-N 3.46Å; F689-T691 VanDerWaalsContact C-N 3.29Å; F689-T691 PolarHBondContact O-N 3.34Å; F689-L692 PolarHBondContact O-N 3.32Å; F689-D693 HydrophobicContact CD1-CB 4.12Å; F689-D693 HydrophobicContact CE1-CB 3.87Å; F689-D693 WeakPolarHBondContact CE1-OD2 3.37Å; F689-D693 WeakPolarHBondContact O-CB 3.34Å; F689-D693 PolarHBondContact O-N 3.31Å; F689-G698 WeakPolarHBondContact CZ-O 3.38Å; F689-V700 HydrophobicContact CD1-CG1 4.47Å; F689-V700 HydrophobicContact CD2-CG1 4.01Å; F689-V700 HydrophobicContact CD2-CG2 3.75Å; F689-V700 HydrophobicContact CE1-CG1 4.31Å; F689-V700 HydrophobicContact CE2-CB 4.31Å; F689-V700 HydrophobicContact CE2-CG1 3.86Å; F689-V700 HydrophobicContact CE2-CG2 3.51Å; F689-V700 HydrophobicContact CG-CG1 4.32Å; F689-V700 HydrophobicContact CZ-CG1 4.01Å; F689-V700 HydrophobicContact CZ-CG2 4.34Å
690	K	89.2	Confident	90.7	Very high	122 Å²	122	67.1 Å²	67.1	53%	0.53	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-33.5	178.7	-73.4	-179.8	-179.2	-179.2	0	113.2	A530 F686 R687 F688 L692	A530-K690 PolarHBondContact O-NZ 3.42Å; F686-K690 WeakPolarHBondContact O-CB 3.24Å; F686-K690 WeakPolarHBondContact O-CG 3.44Å; F686-K690 PolarHBondContact O-N 3.46Å; R687-K690 PolarHBondContact O-N 2.82Å; F688-K690 PolarHBondContact O-N 3.4Å; K690-L692 VanDerWaalsContact C-N 3.3Å
691	T	87.2	Confident	90.4	Very high	104 Å²	104	73.3 Å²	73.3	64%	0.638	39%	0.393	S	S	*	.	H	α-helix	trans	-70.3	-28.5	176.2	-59.3	0	0	0	0	112.3	R687 F688 F689	R687-T691 PolarHBondContact O-N 3.4Å; R687-T691 PolarHBondContact O-OG1 2.99Å; F688-T691 PolarHBondContact O-N 2.88Å; F689-T691 VanDerWaalsContact C-N 3.29Å; F689-T691 PolarHBondContact O-N 3.34Å
692	L	89.5	Confident	90.2	Very high	74 Å²	74	74.4 Å²	74.4	39%	0.387	40%	0.399	S	S	.	.	H	α-helix	trans	-95.4	-27.9	-175	-66.3	159.4	0	0	0	112.7	F688 F689 K690 T694 V700 F702 L710	F688-L692 VanDerWaalsContact O-CD1 3.28Å; F688-L692 WeakPolarHBondContact O-CD1 3.2Å; F688-L692 VanDerWaalsContact O-CG 3.28Å; F688-L692 WeakPolarHBondContact O-CG 3.47Å; F688-L692 PolarHBondContact O-N 2.79Å; F688-L692 VanDerWaalsContact O-N 3.12Å; F689-L692 PolarHBondContact O-N 3.32Å; K690-L692 VanDerWaalsContact C-N 3.3Å; L692-T694 VanDerWaalsContact C-N 3.31Å; L692-T694 PolarHBondContact O-N 3.29Å; L692-T694 VanDerWaalsContact O-N 3.09Å; L692-V700 HydrophobicContact CB-CG1 3.96Å; L692-F702 HydrophobicContact CB-CE1 4.36Å; L692-F702 HydrophobicContact CD1-CE1 3.6Å; L692-F702 HydrophobicContact CD1-CZ 3.92Å; L692-F702 HydrophobicContact CD2-CE1 4.44Å; L692-F702 HydrophobicContact CG-CE1 4.32Å; L692-L710 HydrophobicContact CD1-CD1 4.46Å
693	D	92.6	Very high	90.1	Very high	14 Å²	14	77.4 Å²	77.4	8%	0.075	42%	0.416	C	S	.	.			trans	-81.3	71.5	175.2	-175.4	10.1	0	0	0	110.7	F689 D695 L696 D697 G698 V700	F689-D693 HydrophobicContact CD1-CB 4.12Å; F689-D693 HydrophobicContact CE1-CB 3.87Å; F689-D693 WeakPolarHBondContact CE1-OD2 3.37Å; F689-D693 WeakPolarHBondContact O-CB 3.34Å; F689-D693 PolarHBondContact O-N 3.31Å; D693-D695 VanDerWaalsContact C-N 3.33Å; D693-D695 PolarHBondContact O-N 3.03Å; D693-L696 WeakPolarHBondContact OD1-CA 3.39Å; D693-L696 PolarHBondContact OD1-N 2.96Å; D693-D697 PolarHBondContact OD1-N 3.08Å; D693-G698 WeakPolarHBondContact OD2-CA 3.36Å; D693-G698 PolarHBondContact OD2-N 2.87Å; D693-V700 HydrophobicContact CB-CG1 3.83Å
694	T	90.4	Very high	90	Very high	127 Å²	127	83.3 Å²	83.3	78%	0.779	45%	0.447	S	S	*	.	S	Bend	trans	-73.7	-22.5	-173.8	53.5	0	0	0	0	114.1	L692	L692-T694 VanDerWaalsContact C-N 3.31Å; L692-T694 PolarHBondContact O-N 3.29Å; L692-T694 VanDerWaalsContact O-N 3.09Å
695	D	92.2	Very high	90.1	Very high	109 Å²	109	90.2 Å²	90.2	58%	0.583	48%	0.477	S	S	*	.	S	Bend	trans	-99.1	-5.3	179.2	53.6	-14.6	0	0	0	113.5	D693 D697	D693-D695 VanDerWaalsContact C-N 3.33Å; D693-D695 PolarHBondContact O-N 3.03Å; D695-D697 PolarHBondContact O-N 3.39Å
696	L	89.5	Confident	89.9	Confident	149 Å²	149	90.9 Å²	90.9	78%	0.78	48%	0.477	S	S	*	.			trans	60.3	32.4	175.6	-54.6	173.6	0	0	0	112.6	D693 G698	D693-L696 WeakPolarHBondContact OD1-CA 3.39Å; D693-L696 PolarHBondContact OD1-N 2.96Å; L696-G698 VanDerWaalsContact C-N 3.31Å
697	D	92.1	Very high	89.8	Confident	97 Å²	97	95.7 Å²	95.7	52%	0.519	49%	0.494	S	S	.	.	S	Bend	trans	-86.6	-7.5	177.4	83.3	-13.5	0	0	0	112.3	D693 D695 V699	D693-D697 PolarHBondContact OD1-N 3.08Å; D695-D697 PolarHBondContact O-N 3.39Å; D697-V699 WeakPolarHBondContact OD1-CA 3.35Å; D697-V699 WeakPolarHBondContact OD1-CB 3.31Å; D697-V699 PolarHBondContact OD1-N 3.28Å
698	G	90.2	Very high	89.8	Confident	47 Å²	47	95.9 Å²	95.9	49%	0.485	50%	0.501	S	S	.	.	S	Bend	trans	81.1	15.8	-179.4	0	0	0	0	0	113.7	F689 D693 L696	F689-G698 WeakPolarHBondContact CZ-O 3.38Å; D693-G698 WeakPolarHBondContact OD2-CA 3.36Å; D693-G698 PolarHBondContact OD2-N 2.87Å; L696-G698 VanDerWaalsContact C-N 3.31Å
699	V	91.1	Very high	89.7	Confident	89 Å²	89	96.9 Å²	96.9	54%	0.539	51%	0.507	S	S	.	.			trans	-128.4	133.4	178.8	-175.6	0	0	0	0	110	D697	D697-V699 WeakPolarHBondContact OD1-CA 3.35Å; D697-V699 WeakPolarHBondContact OD1-CB 3.31Å; D697-V699 PolarHBondContact OD1-N 3.28Å
700	V	90.3	Very high	89.2	Confident	31 Å²	31	95 Å²	95	19%	0.188	50%	0.5	C	S	.	.			trans	-119.8	135.6	175.6	-68.6	0	0	0	0	110.2	F689 L692 D693 F702	F689-V700 HydrophobicContact CD1-CG1 4.47Å; F689-V700 HydrophobicContact CD2-CG1 4.01Å; F689-V700 HydrophobicContact CD2-CG2 3.75Å; F689-V700 HydrophobicContact CE1-CG1 4.31Å; F689-V700 HydrophobicContact CE2-CB 4.31Å; F689-V700 HydrophobicContact CE2-CG1 3.86Å; F689-V700 HydrophobicContact CE2-CG2 3.51Å; F689-V700 HydrophobicContact CG-CG1 4.32Å; F689-V700 HydrophobicContact CZ-CG1 4.01Å; F689-V700 HydrophobicContact CZ-CG2 4.34Å; L692-V700 HydrophobicContact CB-CG1 3.96Å; D693-V700 HydrophobicContact CB-CG1 3.83Å; V700-F702 HydrophobicContact CB-CE1 4.15Å; V700-F702 HydrophobicContact CB-CE2 3.97Å; V700-F702 HydrophobicContact CB-CZ 3.51Å; V700-F702 HydrophobicContact CG1-CZ 4.46Å; V700-F702 HydrophobicContact CG2-CD2 4.48Å; V700-F702 HydrophobicContact CG2-CE1 4.39Å; V700-F702 HydrophobicContact CG2-CE2 3.37Å; V700-F702 HydrophobicContact CG2-CZ 3.32Å
701	T	88.2	Confident	88.9	Confident	130 Å²	130	91.8 Å²	91.8	80%	0.798	49%	0.491	S	S	*	.			trans	-111.5	126.1	-175.4	-18.4	0	0	0	0	110.5
702	F	87.4	Confident	88.5	Confident	66 Å²	66	94 Å²	94	29%	0.289	50%	0.496	S	S	.	.			trans	-125.9	142.3	178.9	-49.7	-59.7	0	0	0	110.7	L692 V700 K706 W707	L692-F702 HydrophobicContact CB-CE1 4.36Å; L692-F702 HydrophobicContact CD1-CE1 3.6Å; L692-F702 HydrophobicContact CD1-CZ 3.92Å; L692-F702 HydrophobicContact CD2-CE1 4.44Å; L692-F702 HydrophobicContact CG-CE1 4.32Å; V700-F702 HydrophobicContact CB-CE1 4.15Å; V700-F702 HydrophobicContact CB-CE2 3.97Å; V700-F702 HydrophobicContact CB-CZ 3.51Å; V700-F702 HydrophobicContact CG1-CZ 4.46Å; V700-F702 HydrophobicContact CG2-CD2 4.48Å; V700-F702 HydrophobicContact CG2-CE1 4.39Å; V700-F702 HydrophobicContact CG2-CE2 3.37Å; V700-F702 HydrophobicContact CG2-CZ 3.32Å; F702-K706 HydrophobicContact CB-CB 4.25Å; F702-K706 HydrophobicContact CD1-CB 4.31Å; F702-W707 HydrophobicContact CB-CB 4.32Å; F702-W707 HydrophobicContact CD2-CE3 4.35Å
703	D	92	Very high	87.3	Confident	87 Å²	87	97.8 Å²	97.8	47%	0.465	51%	0.509	S	S	.	.			trans	-78.8	173.6	156.1	60.6	40.3	0	0	0	110.1	F705 K706 W707	D703-F705 VanDerWaalsContact C-N 3.26Å; D703-F705 PolarHBondContact O-N 3.24Å; D703-F705 PolarHBondContact OD1-N 3.01Å; D703-K706 PolarHBondContact O-N 2.83Å; D703-K706 WeakPolarHBondContact OD1-CB 3.26Å; D703-K706 WeakPolarHBondContact OD1-CG 3.25Å; D703-K706 PolarHBondContact OD1-N 3.02Å; D703-W707 WeakPolarHBondContact O-CB 3.18Å; D703-W707 PolarHBondContact O-N 3.47Å
704	L	91.2	Very high	85.4	Confident	125 Å²	125	97.7 Å²	97.7	65%	0.654	51%	0.51	S	S	*	.	H	α-helix	trans	-60.2	-36.8	-179.9	179.8	61.2	0	0	0	112.3	W707 L708	L704-W707 PolarHBondContact O-N 3.16Å; L704-L708 HydrophobicContact CD1-CD1 3.97Å; L704-L708 HydrophobicContact CD1-CG 4.05Å; L704-L708 HydrophobicContact CG-CD1 3.86Å; L704-L708 HydrophobicContact CG-CG 4.37Å; L704-L708 WeakPolarHBondContact O-CB 3.23Å; L704-L708 VanDerWaalsContact O-CG 3.23Å; L704-L708 WeakPolarHBondContact O-CG 3.38Å; L704-L708 PolarHBondContact O-N 3.16Å
705	F	90.4	Very high	85.1	Confident	148 Å²	148	96.2 Å²	96.2	65%	0.649	50%	0.497	S	S	*	.	H	α-helix	trans	-66.9	-49.7	-177.6	178	-99.4	0	0	0	111.1	D703 W707 L708 Q709	D703-F705 VanDerWaalsContact C-N 3.26Å; D703-F705 PolarHBondContact O-N 3.24Å; D703-F705 PolarHBondContact OD1-N 3.01Å; F705-W707 VanDerWaalsContact C-N 3.33Å; F705-W707 PolarHBondContact O-N 3.04Å; F705-L708 PolarHBondContact O-N 3.09Å; F705-Q709 WeakPolarHBondContact O-CB 3.22Å; F705-Q709 PolarHBondContact O-N 2.9Å
706	K	87.6	Confident	84.8	Confident	112 Å²	112	95.5 Å²	95.5	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-40.3	175.6	-71.3	179.7	-178.7	179	0	111.9	F702 D703 Q709 L710	F702-K706 HydrophobicContact CB-CB 4.25Å; F702-K706 HydrophobicContact CD1-CB 4.31Å; D703-K706 PolarHBondContact O-N 2.83Å; D703-K706 WeakPolarHBondContact OD1-CB 3.26Å; D703-K706 WeakPolarHBondContact OD1-CG 3.25Å; D703-K706 PolarHBondContact OD1-N 3.02Å; K706-Q709 PolarHBondContact O-N 3.48Å; K706-L710 WeakPolarHBondContact O-CB 3.48Å; K706-L710 PolarHBondContact O-N 2.98Å
707	W	88.5	Confident	84.5	Confident	129 Å²	129	92.6 Å²	92.6	49%	0.489	48%	0.476	S	S	.	.	H	α-helix	trans	-60	-46.3	174.9	171.7	-100.2	0	0	0	112	F702 D703 L704 F705 L710 T711	F702-W707 HydrophobicContact CB-CB 4.32Å; F702-W707 HydrophobicContact CD2-CE3 4.35Å; D703-W707 WeakPolarHBondContact O-CB 3.18Å; D703-W707 PolarHBondContact O-N 3.47Å; L704-W707 PolarHBondContact O-N 3.16Å; F705-W707 VanDerWaalsContact C-N 3.33Å; F705-W707 PolarHBondContact O-N 3.04Å; W707-L710 PolarHBondContact O-N 3.34Å; W707-T711 HydrophobicContact CD2-CG2 3.9Å; W707-T711 HydrophobicContact CE3-CG2 4.08Å; W707-T711 HydrophobicContact CH2-CG2 3.8Å; W707-T711 HydrophobicContact CZ2-CG2 3.6Å; W707-T711 HydrophobicContact CZ3-CG2 4.03Å; W707-T711 WeakPolarHBondContact O-CB 3.22Å; W707-T711 WeakPolarHBondContact O-CG2 3.08Å; W707-T711 PolarHBondContact O-N 3.3Å; W707-T711 PolarHBondContact O-OG1 3.2Å
708	L	89.8	Confident	84.1	Confident	84 Å²	84	92.3 Å²	92.3	44%	0.44	47%	0.474	S	S	.	.	H	α-helix	trans	-66.4	-42.6	177.9	-70.6	168.8	0	0	0	111.4	L704 F705 L710 T711 M712	L704-L708 HydrophobicContact CD1-CD1 3.97Å; L704-L708 HydrophobicContact CD1-CG 4.05Å; L704-L708 HydrophobicContact CG-CD1 3.86Å; L704-L708 HydrophobicContact CG-CG 4.37Å; L704-L708 WeakPolarHBondContact O-CB 3.23Å; L704-L708 VanDerWaalsContact O-CG 3.23Å; L704-L708 WeakPolarHBondContact O-CG 3.38Å; L704-L708 PolarHBondContact O-N 3.16Å; F705-L708 PolarHBondContact O-N 3.09Å; L708-L710 VanDerWaalsContact C-N 3.34Å; L708-L710 PolarHBondContact O-N 3.17Å; L708-T711 PolarHBondContact O-N 3.03Å; L708-M712 WeakPolarHBondContact O-CB 3.45Å; L708-M712 VanDerWaalsContact O-CG 3.28Å; L708-M712 WeakPolarHBondContact O-CG 3.28Å; L708-M712 PolarHBondContact O-N 2.87Å
709	Q	83.4	Confident	83.7	Confident	112 Å²	112	95.1 Å²	95.1	52%	0.523	47%	0.473	S	S	.	.	H	α-helix	trans	-59	-45.9	176.1	-172.1	176.8	-14.3	0	0	111	F705 K706 F713	F705-Q709 WeakPolarHBondContact O-CB 3.22Å; F705-Q709 PolarHBondContact O-N 2.9Å; K706-Q709 PolarHBondContact O-N 3.48Å; Q709-F713 WeakPolarHBondContact O-CB 3.48Å; Q709-F713 PolarHBondContact O-N 3.3Å
710	L	81.6	Confident	83.2	Confident	40 Å²	40	95.5 Å²	95.5	21%	0.209	47%	0.469	C	S	.	.	H	α-helix	trans	-63.6	-49.8	177.3	-171.5	96.4	0	0	0	111.8	F688 L692 K706 W707 L708 A714	F688-L710 HydrophobicContact CB-CD1 3.97Å; F688-L710 HydrophobicContact CD1-CD1 4.28Å; F688-L710 HydrophobicContact CD2-CD1 4.15Å; F688-L710 HydrophobicContact CG-CD1 3.9Å; L692-L710 HydrophobicContact CD1-CD1 4.46Å; K706-L710 WeakPolarHBondContact O-CB 3.48Å; K706-L710 PolarHBondContact O-N 2.98Å; W707-L710 PolarHBondContact O-N 3.34Å; L708-L710 VanDerWaalsContact C-N 3.34Å; L708-L710 PolarHBondContact O-N 3.17Å; L710-A714 WeakPolarHBondContact O-CB 3.26Å; L710-A714 PolarHBondContact O-N 3.37Å
711	T	81.9	Confident	82.7	Confident	53 Å²	53	100.1 Å²	100.1	33%	0.325	49%	0.489	S	S	.	.	H	α-helix	trans	-80.2	-24.7	-170	52.6	0	0	0	0	114.6	W707 L708	W707-T711 HydrophobicContact CD2-CG2 3.9Å; W707-T711 HydrophobicContact CE3-CG2 4.08Å; W707-T711 HydrophobicContact CH2-CG2 3.8Å; W707-T711 HydrophobicContact CZ2-CG2 3.6Å; W707-T711 HydrophobicContact CZ3-CG2 4.03Å; W707-T711 WeakPolarHBondContact O-CB 3.22Å; W707-T711 WeakPolarHBondContact O-CG2 3.08Å; W707-T711 PolarHBondContact O-N 3.3Å; W707-T711 PolarHBondContact O-OG1 3.2Å; L708-T711 PolarHBondContact O-N 3.03Å
712	M	78.4	Confident	82.3	Confident	152 Å²	152	97.8 Å²	97.8	75%	0.749	47%	0.465	S	S	*	.	H	α-helix	trans	-81.6	-29.9	175.8	-72.6	-68.5	-59.8	0	0	113	L708	L708-M712 WeakPolarHBondContact O-CB 3.45Å; L708-M712 VanDerWaalsContact O-CG 3.28Å; L708-M712 WeakPolarHBondContact O-CG 3.28Å; L708-M712 PolarHBondContact O-N 2.87Å
713	F	64.9	Low	81.8	Confident	153 Å²	153	100.5 Å²	100.5	67%	0.671	48%	0.479	S	S	*	.	H	α-helix	trans	-98	-17.1	-178.8	-105.5	-95.4	0	0	0	114	N595 Q709	N595-F713 PolarHBondContact ND2-O 2.85Å; Q709-F713 WeakPolarHBondContact O-CB 3.48Å; Q709-F713 PolarHBondContact O-N 3.3Å
714	A	52.4	Low	80.9	Confident	11 Å²	11	101.7 Å²	101.7	9%	0.091	48%	0.481	C	S	.	.			trans	-75.1	0	178.5	0	0	0	0	0	114	R681 L710	R681-A714 VanDerWaalsContact CZ-C 3.47Å; R681-A714 PolarHBondContact NH1-O 3.42Å; R681-A714 PolarHBondContact NH1-OXT 2.9Å; R681-A714 PolarHBondContact NH2-O 3Å; L710-A714 WeakPolarHBondContact O-CB 3.26Å; L710-A714 PolarHBondContact O-N 3.37Å

Retrieved 714 of 714 residues in 154.3 ms (Link to these results)

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