A0A087XE06_POEFO Loading...

WD repeat-containing protein 91

AlphaFold DB , UniProt , Accession A0A087XE06, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 746 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	K	36.1	Very low	29.7	Very low	260 Å²	260	123.7 Å²	123.7	100%	1.13	67%	0.666	S	S	*	*				0	21.5	0	-74.1	-177.7	172.9	176.4	0	115.2
2	R	25.1	Very low	30.1	Very low	224 Å²	224	120.9 Å²	120.9	85%	0.845	65%	0.65	S	S	*	*			trans	-112.9	-21.2	172	-90.5	-174.6	175.3	166.8	-0.7	116	T5	R2-T5 PolarHBondContact O-OG1 2.92Å
3	N	26.3	Very low	30.7	Very low	134 Å²	134	117.7 Å²	117.7	72%	0.717	64%	0.637	S	S	*	*	S	Bend	trans	-87.8	-31.2	-172.3	-60.1	22.9	0	0	0	113.5	T5 S6	N3-T5 VanDerWaalsContact C-N 3.35Å; N3-T5 PolarHBondContact O-N 2.89Å; N3-S6 WeakPolarHBondContact O-CB 3.43Å; N3-S6 PolarHBondContact O-N 2.88Å
4	V	30.6	Very low	31.4	Very low	109 Å²	109	111.4 Å²	111.4	66%	0.661	61%	0.613	S	S	*	*	H	α-helix	trans	-64.4	-38	-177.4	-177.8	0	0	0	0	112.1	S6 C7 L8	V4-S6 PolarHBondContact O-N 3.39Å; V4-C7 PolarHBondContact O-N 3.37Å; V4-L8 HydrophobicContact CG1-CD1 4.46Å; V4-L8 PolarHBondContact O-N 3.17Å
5	T	28.6	Very low	32	Very low	90 Å²	90	108.9 Å²	108.9	55%	0.552	60%	0.597	S	S	*	*	H	α-helix	trans	-65.1	-24.2	172.8	32.8	0	0	0	0	113.2	R2 N3 V9	R2-T5 PolarHBondContact O-OG1 2.92Å; N3-T5 VanDerWaalsContact C-N 3.35Å; N3-T5 PolarHBondContact O-N 2.89Å; T5-V9 WeakPolarHBondContact O-CG2 3.29Å; T5-V9 PolarHBondContact O-N 3.31Å
6	S	28.2	Very low	32.8	Very low	82 Å²	82	102.6 Å²	102.6	57%	0.573	57%	0.565	S	S	*	*	H	α-helix	trans	-69.2	-44.9	176.5	-160.7	0	0	0	0	111.7	N3 V4 V9 S10	N3-S6 WeakPolarHBondContact O-CB 3.43Å; N3-S6 PolarHBondContact O-N 2.88Å; V4-S6 PolarHBondContact O-N 3.39Å; S6-V9 PolarHBondContact O-N 3.25Å; S6-S10 WeakPolarHBondContact O-CB 3.5Å; S6-S10 PolarHBondContact O-N 3.08Å
7	C	27.4	Very low	33.7	Very low	87 Å²	87	97.9 Å²	97.9	59%	0.588	54%	0.541	S	S	*	.	H	α-helix	trans	-66.2	-41.5	178.7	-63.2	0	0	0	0	112.4	V4 V9 S10 V11	V4-C7 PolarHBondContact O-N 3.37Å; C7-V9 PolarHBondContact O-N 3.18Å; C7-S10 PolarHBondContact O-N 3.12Å; C7-V11 PolarHBondContact O-N 3.37Å; C7-V11 VanDerWaalsContact O-N 3.13Å
8	L	30.6	Very low	34.6	Very low	103 Å²	103	93.2 Å²	93.2	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-61.4	-40.6	177.5	-83.9	161.1	0	0	0	112.7	V4 L12	V4-L8 HydrophobicContact CG1-CD1 4.46Å; V4-L8 PolarHBondContact O-N 3.17Å; L8-L12 PolarHBondContact O-N 3.34Å
9	V	30.7	Very low	35.8	Very low	93 Å²	93	91.1 Å²	91.1	56%	0.564	51%	0.507	S	S	*	.	H	α-helix	trans	-67.5	-42.4	173.5	172.3	0	0	0	0	111.1	T5 S6 C7 V11 L12 V13	T5-V9 WeakPolarHBondContact O-CG2 3.29Å; T5-V9 PolarHBondContact O-N 3.31Å; S6-V9 PolarHBondContact O-N 3.25Å; C7-V9 PolarHBondContact O-N 3.18Å; V9-V11 PolarHBondContact O-N 3.27Å; V9-L12 PolarHBondContact O-N 3.3Å; V9-V13 HydrophobicContact CG1-CG2 4.09Å; V9-V13 WeakPolarHBondContact O-CB 3.43Å; V9-V13 VanDerWaalsContact O-CG2 3.28Å; V9-V13 WeakPolarHBondContact O-CG2 3.32Å; V9-V13 PolarHBondContact O-N 2.69Å
10	S	29.4	Very low	36.8	Very low	81 Å²	81	91.4 Å²	91.4	57%	0.566	50%	0.504	S	S	*	.	H	α-helix	trans	-58.9	-43.2	-178	-164.4	0	0	0	0	113	S6 C7 V13 G14	S6-S10 WeakPolarHBondContact O-CB 3.5Å; S6-S10 PolarHBondContact O-N 3.08Å; C7-S10 PolarHBondContact O-N 3.12Å; S10-V13 PolarHBondContact O-N 3.45Å; S10-G14 PolarHBondContact O-N 3.35Å
11	V	34.3	Very low	37.8	Very low	98 Å²	98	92.7 Å²	92.7	59%	0.594	50%	0.502	S	S	*	.	H	α-helix	trans	-71.6	-39.4	-179.3	179.1	0	0	0	0	112.3	C7 V9 G14	C7-V11 PolarHBondContact O-N 3.37Å; C7-V11 VanDerWaalsContact O-N 3.13Å; V9-V11 PolarHBondContact O-N 3.27Å; V11-G14 WeakPolarHBondContact O-CA 3.35Å; V11-G14 PolarHBondContact O-N 3.4Å
12	L	33.6	Very low	39	Very low	90 Å²	90	82.5 Å²	82.5	47%	0.471	46%	0.461	S	S	.	.	H	α-helix	trans	-69.1	-32.6	175.2	-79.3	165.8	0	0	0	112.7	L8 V9 G14	L8-L12 PolarHBondContact O-N 3.34Å; V9-L12 PolarHBondContact O-N 3.3Å; L12-G14 PolarHBondContact O-N 3.07Å
13	V	38.4	Very low	41	Very low	79 Å²	79	73.9 Å²	73.9	48%	0.479	43%	0.432	S	S	.	.	H	α-helix	trans	-66.3	-25.4	168.4	168.9	0	0	0	0	111.5	V9 S10 S17	V9-V13 HydrophobicContact CG1-CG2 4.09Å; V9-V13 WeakPolarHBondContact O-CB 3.43Å; V9-V13 VanDerWaalsContact O-CG2 3.28Å; V9-V13 WeakPolarHBondContact O-CG2 3.32Å; V9-V13 PolarHBondContact O-N 2.69Å; S10-V13 PolarHBondContact O-N 3.45Å; V13-S17 VanDerWaalsContact O-CB 3.22Å; V13-S17 WeakPolarHBondContact O-CB 3.47Å; V13-S17 PolarHBondContact O-N 3.16Å; V13-S17 PolarHBondContact O-OG 2.85Å
14	G	39.9	Very low	43	Very low	30 Å²	30	73.3 Å²	73.3	31%	0.309	42%	0.423	S	S	.	.	H	α-helix	trans	-47.8	-72.8	178	0	0	0	0	0	113.4	S10 V11 L12 G16 S17 A18	S10-G14 PolarHBondContact O-N 3.35Å; V11-G14 WeakPolarHBondContact O-CA 3.35Å; V11-G14 PolarHBondContact O-N 3.4Å; L12-G14 PolarHBondContact O-N 3.07Å; G14-G16 PolarHBondContact O-N 3.4Å; G14-S17 PolarHBondContact O-N 3.27Å; G14-S17 PolarHBondContact O-OG 2.84Å; G14-A18 WeakPolarHBondContact O-CB 3.43Å; G14-A18 PolarHBondContact O-N 3.19Å
15	M	41.4	Very low	44.8	Very low	73 Å²	73	73.8 Å²	73.8	36%	0.36	42%	0.418	S	S	.	.	H	α-helix	trans	-61.9	-42.1	-175.2	-68.4	-179.7	76.3	0	0	113.2	A18 V19 F181	M15-A18 PolarHBondContact O-N 3.25Å; M15-V19 WeakPolarHBondContact O-CG2 3.23Å; M15-V19 PolarHBondContact O-N 2.98Å; M15-F181 VanDerWaalsContact SD-O 3.41Å
16	G	43.5	Very low	47	Very low	9 Å²	9	72.4 Å²	72.4	9%	0.093	41%	0.409	C	S	.	.	H	α-helix	trans	-63.5	-46.4	-179.6	0	0	0	0	0	112.7	G14 A18 E20	G14-G16 PolarHBondContact O-N 3.4Å; G16-A18 VanDerWaalsContact C-N 3.35Å; G16-E20 WeakPolarHBondContact O-CG 3.48Å; G16-E20 PolarHBondContact O-N 3.09Å
17	S	48.5	Very low	49.1	Very low	23 Å²	23	72 Å²	72	16%	0.161	40%	0.395	C	S	.	.	H	α-helix	trans	-74.1	-26.2	176.3	69.2	0	0	0	0	112.7	V13 G14 R21	V13-S17 VanDerWaalsContact O-CB 3.22Å; V13-S17 WeakPolarHBondContact O-CB 3.47Å; V13-S17 PolarHBondContact O-N 3.16Å; V13-S17 PolarHBondContact O-OG 2.85Å; G14-S17 PolarHBondContact O-N 3.27Å; G14-S17 PolarHBondContact O-OG 2.84Å; S17-R21 VanDerWaalsContact CB-NH1 3.33Å; S17-R21 WeakPolarHBondContact O-CB 3.47Å; S17-R21 VanDerWaalsContact O-CG 3.28Å; S17-R21 WeakPolarHBondContact O-CG 3.3Å; S17-R21 PolarHBondContact O-N 2.95Å; S17-R21 PolarHBondContact O-NH1 3.44Å; S17-R21 VanDerWaalsContact O-NH1 3.15Å; S17-R21 PolarHBondContact OG-NH1 3.39Å; S17-R21 PolarHBondContact OG-NH2 3.47Å
18	A	50.9	Low	51.5	Low	13 Å²	13	72.4 Å²	72.4	11%	0.107	39%	0.388	C	S	.	.	H	α-helix	trans	-67.3	-45	174.7	0	0	0	0	0	111.7	G14 M15 G16 R21 T22 L190	G14-A18 WeakPolarHBondContact O-CB 3.43Å; G14-A18 PolarHBondContact O-N 3.19Å; M15-A18 PolarHBondContact O-N 3.25Å; G16-A18 VanDerWaalsContact C-N 3.35Å; A18-R21 PolarHBondContact O-N 3.33Å; A18-T22 PolarHBondContact O-N 3.11Å; A18-T22 PolarHBondContact O-OG1 3.44Å; A18-T22 VanDerWaalsContact O-OG1 3.11Å; A18-L190 HydrophobicContact CB-CD1 3.8Å; A18-L190 HydrophobicContact CB-CD2 3.78Å; A18-L190 HydrophobicContact CB-CG 4.37Å
19	V	56	Low	53.7	Low	53 Å²	53	73.5 Å²	73.5	32%	0.321	39%	0.386	S	S	.	.	H	α-helix	trans	-60.3	-48.7	173	173.1	0	0	0	0	110.8	M15 R21 T22 D23	M15-V19 WeakPolarHBondContact O-CG2 3.23Å; M15-V19 PolarHBondContact O-N 2.98Å; V19-R21 VanDerWaalsContact C-N 3.27Å; V19-R21 PolarHBondContact O-N 3Å; V19-T22 PolarHBondContact O-N 3.49Å; V19-T22 VanDerWaalsContact O-N 3.08Å; V19-D23 WeakPolarHBondContact O-CB 3.44Å; V19-D23 PolarHBondContact O-N 2.82Å
20	E	56.4	Low	56.1	Low	97 Å²	97	70.4 Å²	70.4	45%	0.453	37%	0.366	S	S	.	.	H	α-helix	trans	-60.5	-34.1	177.8	-72	168.4	-167.9	0	0	112.6	G16 K24 R55	G16-E20 WeakPolarHBondContact O-CG 3.48Å; G16-E20 PolarHBondContact O-N 3.09Å; E20-K24 WeakPolarHBondContact O-CB 3.44Å; E20-K24 PolarHBondContact O-N 3.14Å; E20-R55 IonicContact OE1-CZ 2.69Å; E20-R55 IonicContact OE1-NE 3.89Å; E20-R55 IonicContact OE1-NH2 2.78Å; E20-R55 PolarHBondContact OE1-NH2 3.2Å; E20-R55 IonicContact OE2-NH2 2.96Å; E20-R55 PolarHBondContact OE2-NH2 3.05Å
21	R	57.4	Low	58.5	Low	119 Å²	119	72 Å²	72	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-71.9	-42.5	170.7	-74.7	-175.6	-155.3	89.4	-0.1	112.5	S17 A18 V19 K24 H25	S17-R21 VanDerWaalsContact CB-NH1 3.33Å; S17-R21 WeakPolarHBondContact O-CB 3.47Å; S17-R21 VanDerWaalsContact O-CG 3.28Å; S17-R21 WeakPolarHBondContact O-CG 3.3Å; S17-R21 PolarHBondContact O-N 2.95Å; S17-R21 PolarHBondContact O-NH1 3.44Å; S17-R21 VanDerWaalsContact O-NH1 3.15Å; S17-R21 PolarHBondContact OG-NH1 3.39Å; S17-R21 PolarHBondContact OG-NH2 3.47Å; A18-R21 PolarHBondContact O-N 3.33Å; V19-R21 VanDerWaalsContact C-N 3.27Å; V19-R21 PolarHBondContact O-N 3Å; R21-K24 WeakPolarHBondContact O-CB 3.49Å; R21-K24 PolarHBondContact O-N 2.94Å; R21-H25 PolarHBondContact O-N 2.94Å; R21-H25 PolarHBondContact O-ND1 3.23Å
22	T	61.5	Low	60.6	Low	45 Å²	45	76.8 Å²	76.8	28%	0.276	38%	0.376	S	S	.	.	H	α-helix	trans	-62	-47.1	178.2	-62	0	0	0	0	110.7	A18 V19 K24 H25 V26 L190	A18-T22 PolarHBondContact O-N 3.11Å; A18-T22 PolarHBondContact O-OG1 3.44Å; A18-T22 VanDerWaalsContact O-OG1 3.11Å; V19-T22 PolarHBondContact O-N 3.49Å; V19-T22 VanDerWaalsContact O-N 3.08Å; T22-K24 PolarHBondContact O-N 2.92Å; T22-H25 PolarHBondContact O-N 3.49Å; T22-H25 VanDerWaalsContact O-N 3.14Å; T22-V26 HydrophobicContact CG2-CG2 4.25Å; T22-V26 WeakPolarHBondContact O-CG2 3.46Å; T22-V26 PolarHBondContact O-N 3.38Å; T22-L190 VanDerWaalsContact OG1-CD2 3.27Å; T22-L190 WeakPolarHBondContact OG1-CD2 3.44Å
23	D	67.1	Low	62.8	Low	43 Å²	43	79.3 Å²	79.3	23%	0.23	38%	0.38	C	S	.	.	H	α-helix	trans	-58.9	-35.8	175.9	-76.4	-5.3	0	0	0	112.1	V19 R27 I46	V19-D23 WeakPolarHBondContact O-CB 3.44Å; V19-D23 PolarHBondContact O-N 2.82Å; D23-R27 WeakPolarHBondContact O-CB 3.5Å; D23-R27 VanDerWaalsContact O-CG 3.29Å; D23-R27 WeakPolarHBondContact O-CG 3.32Å; D23-R27 PolarHBondContact O-N 3.33Å; D23-I46 HydrophobicContact CB-CD1 4.35Å
24	K	69.4	Low	64.7	Low	122 Å²	122	77.9 Å²	77.9	53%	0.53	38%	0.38	S	S	.	.	H	α-helix	trans	-66.3	-49	173.6	-175.9	-179.8	167.5	-174.9	0	111.8	E20 R21 T22 V26 R27 E28	E20-K24 WeakPolarHBondContact O-CB 3.44Å; E20-K24 PolarHBondContact O-N 3.14Å; R21-K24 WeakPolarHBondContact O-CB 3.49Å; R21-K24 PolarHBondContact O-N 2.94Å; T22-K24 PolarHBondContact O-N 2.92Å; K24-V26 VanDerWaalsContact C-N 3.33Å; K24-V26 PolarHBondContact O-N 3.22Å; K24-R27 WeakPolarHBondContact O-CB 3.44Å; K24-R27 PolarHBondContact O-N 2.67Å; K24-E28 WeakPolarHBondContact CE-OE1 3.3Å; K24-E28 IonicContact NZ-OE1 3.67Å; K24-E28 WeakPolarHBondContact O-CG 3.23Å; K24-E28 PolarHBondContact O-N 3.36Å
25	H	68.3	Low	66.7	Low	120 Å²	120	81.7 Å²	81.7	56%	0.556	39%	0.389	S	S	*	.	H	α-helix	trans	-64	-36.2	177.5	-69.9	95.4	0	0	0	112.4	R21 T22 E28 Y29	R21-H25 PolarHBondContact O-N 2.94Å; R21-H25 PolarHBondContact O-ND1 3.23Å; T22-H25 PolarHBondContact O-N 3.49Å; T22-H25 VanDerWaalsContact O-N 3.14Å; H25-E28 PolarHBondContact O-N 3.18Å; H25-Y29 WeakPolarHBondContact O-CB 3.44Å; H25-Y29 PolarHBondContact O-N 3.01Å
26	V	73.1	Confident	68.6	Low	60 Å²	60	82.2 Å²	82.2	36%	0.364	40%	0.396	S	S	.	.	H	α-helix	trans	-67.1	-43.1	174.4	173.4	0	0	0	0	110.8	T22 K24 Y29 L30 L42	T22-V26 HydrophobicContact CG2-CG2 4.25Å; T22-V26 WeakPolarHBondContact O-CG2 3.46Å; T22-V26 PolarHBondContact O-N 3.38Å; K24-V26 VanDerWaalsContact C-N 3.33Å; K24-V26 PolarHBondContact O-N 3.22Å; V26-Y29 PolarHBondContact O-N 3.34Å; V26-L30 HydrophobicContact CG1-CD1 3.97Å; V26-L30 HydrophobicContact CG1-CG 4.34Å; V26-L30 WeakPolarHBondContact O-CB 3.23Å; V26-L30 VanDerWaalsContact O-CG 3.28Å; V26-L30 WeakPolarHBondContact O-CG 3.36Å; V26-L30 PolarHBondContact O-N 2.83Å; V26-L42 HydrophobicContact CG1-CD2 3.8Å
27	R	73.8	Confident	70.1	Confident	73 Å²	73	86 Å²	86	28%	0.275	42%	0.422	S	S	.	.	H	α-helix	trans	-58.1	-49	171.5	-79.2	-177.6	177.6	91.3	-1.8	111.8	D23 K24 Y29 L30 L31 L39 L42 D43	D23-R27 WeakPolarHBondContact O-CB 3.5Å; D23-R27 VanDerWaalsContact O-CG 3.29Å; D23-R27 WeakPolarHBondContact O-CG 3.32Å; D23-R27 PolarHBondContact O-N 3.33Å; K24-R27 WeakPolarHBondContact O-CB 3.44Å; K24-R27 PolarHBondContact O-N 2.67Å; R27-Y29 VanDerWaalsContact C-N 3.34Å; R27-Y29 PolarHBondContact O-N 3.3Å; R27-L30 PolarHBondContact O-N 2.87Å; R27-L31 VanDerWaalsContact O-CB 3.26Å; R27-L31 WeakPolarHBondContact O-CB 3.35Å; R27-L31 PolarHBondContact O-N 3.41Å; R27-L39 HydrophobicContact CB-CD1 3.97Å; R27-L39 HydrophobicContact CG-CD1 3.84Å; R27-L42 HydrophobicContact CG-CD2 4.3Å; R27-D43 IonicContact CZ-OD1 2.64Å; R27-D43 IonicContact NE-OD1 3.69Å; R27-D43 PolarHBondContact NE-OD1 3.11Å; R27-D43 IonicContact NH2-OD1 3.33Å; R27-D43 PolarHBondContact NH2-OD1 3.26Å
28	E	77.3	Confident	71.6	Confident	97 Å²	97	88.2 Å²	88.2	45%	0.453	43%	0.434	S	S	.	.	H	α-helix	trans	-61.2	-41.2	179.4	-74.1	172.4	-179	0	0	111.7	K24 H25 Y32	K24-E28 WeakPolarHBondContact CE-OE1 3.3Å; K24-E28 IonicContact NZ-OE1 3.67Å; K24-E28 WeakPolarHBondContact O-CG 3.23Å; K24-E28 PolarHBondContact O-N 3.36Å; H25-E28 PolarHBondContact O-N 3.18Å; E28-Y32 WeakPolarHBondContact O-CB 3.31Å; E28-Y32 PolarHBondContact O-N 2.91Å
29	Y	77.1	Confident	73	Confident	125 Å²	125	88.8 Å²	88.8	49%	0.49	44%	0.435	S	S	.	.	H	α-helix	trans	-65	-45.2	174.3	-178	-99.1	0	0	0	113	H25 V26 R27 L31 Y32 R33	H25-Y29 WeakPolarHBondContact O-CB 3.44Å; H25-Y29 PolarHBondContact O-N 3.01Å; V26-Y29 PolarHBondContact O-N 3.34Å; R27-Y29 VanDerWaalsContact C-N 3.34Å; R27-Y29 PolarHBondContact O-N 3.3Å; Y29-L31 VanDerWaalsContact C-N 3.35Å; Y29-Y32 PolarHBondContact O-N 3.22Å; Y29-R33 HydrophobicContact CD1-CG 4.32Å; Y29-R33 HydrophobicContact CD2-CG 4.42Å; Y29-R33 HydrophobicContact CE1-CG 3.89Å; Y29-R33 HydrophobicContact CE2-CG 3.99Å; Y29-R33 WeakPolarHBondContact O-CB 3.48Å; Y29-R33 VanDerWaalsContact O-CG 3.31Å; Y29-R33 WeakPolarHBondContact O-CG 3.47Å; Y29-R33 PolarHBondContact O-N 3.33Å; Y29-R33 PolarHBondContact OH-NE 2.91Å; Y29-R33 VanDerWaalsContact OH-NE 3.11Å; Y29-R33 PolarHBondContact OH-NH2 3.21Å
30	L	80	Confident	74.1	Confident	28 Å²	28	93.8 Å²	93.8	15%	0.147	45%	0.453	C	S	.	.	H	α-helix	trans	-65.2	-38.7	177.7	-71.8	175.2	0	0	0	111.8	V26 R27 G34 F35 L39 L42	V26-L30 HydrophobicContact CG1-CD1 3.97Å; V26-L30 HydrophobicContact CG1-CG 4.34Å; V26-L30 WeakPolarHBondContact O-CB 3.23Å; V26-L30 VanDerWaalsContact O-CG 3.28Å; V26-L30 WeakPolarHBondContact O-CG 3.36Å; V26-L30 PolarHBondContact O-N 2.83Å; R27-L30 PolarHBondContact O-N 2.87Å; L30-G34 PolarHBondContact O-N 3.44Å; L30-G34 VanDerWaalsContact O-N 3.14Å; L30-F35 HydrophobicContact CD2-CB 4.08Å; L30-F35 HydrophobicContact CD2-CD2 4.06Å; L30-F35 PolarHBondContact O-N 3.49Å; L30-L39 HydrophobicContact CB-CD1 4.06Å; L30-L39 HydrophobicContact CD1-CD1 4.48Å; L30-L42 HydrophobicContact CD1-CD2 3.77Å
31	L	80.7	Confident	75	Confident	114 Å²	114	94.2 Å²	94.2	60%	0.597	45%	0.454	S	S	*	.	H	α-helix	trans	-64.1	-49.8	174.5	-163.4	84.5	0	0	0	110.8	R27 Y29 R33 G34 L39	R27-L31 VanDerWaalsContact O-CB 3.26Å; R27-L31 WeakPolarHBondContact O-CB 3.35Å; R27-L31 PolarHBondContact O-N 3.41Å; Y29-L31 VanDerWaalsContact C-N 3.35Å; L31-R33 VanDerWaalsContact C-N 3.29Å; L31-R33 PolarHBondContact O-N 3.18Å; L31-G34 PolarHBondContact O-N 2.88Å; L31-L39 HydrophobicContact CD1-CD2 3.75Å
32	Y	78.1	Confident	75.8	Confident	199 Å²	199	90.4 Å²	90.4	78%	0.78	44%	0.443	S	S	*	.	H	α-helix	trans	-61.7	-33.6	178.1	178.6	-102.8	0	0	0	113.1	E28 Y29 G34	E28-Y32 WeakPolarHBondContact O-CB 3.31Å; E28-Y32 PolarHBondContact O-N 2.91Å; Y29-Y32 PolarHBondContact O-N 3.22Å; Y32-G34 VanDerWaalsContact C-N 3.33Å
33	R	79.7	Confident	76.3	Confident	144 Å²	144	90.6 Å²	90.6	54%	0.543	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.6	173.9	-68.1	-63	-162	162.8	4.8	114.3	Y29 L31 F35	Y29-R33 HydrophobicContact CD1-CG 4.32Å; Y29-R33 HydrophobicContact CD2-CG 4.42Å; Y29-R33 HydrophobicContact CE1-CG 3.89Å; Y29-R33 HydrophobicContact CE2-CG 3.99Å; Y29-R33 WeakPolarHBondContact O-CB 3.48Å; Y29-R33 VanDerWaalsContact O-CG 3.31Å; Y29-R33 WeakPolarHBondContact O-CG 3.47Å; Y29-R33 PolarHBondContact O-N 3.33Å; Y29-R33 PolarHBondContact OH-NE 2.91Å; Y29-R33 VanDerWaalsContact OH-NE 3.11Å; Y29-R33 PolarHBondContact OH-NH2 3.21Å; L31-R33 VanDerWaalsContact C-N 3.29Å; L31-R33 PolarHBondContact O-N 3.18Å; R33-F35 VanDerWaalsContact C-N 3.32Å; R33-F35 HydrophobicContact CB-CD2 3.48Å; R33-F35 VanDerWaalsContact CB-CD2 3.48Å; R33-F35 HydrophobicContact CB-CE2 3.58Å; R33-F35 HydrophobicContact CB-CG 4.38Å; R33-F35 HydrophobicContact CG-CD2 4.43Å; R33-F35 HydrophobicContact CG-CE2 4.22Å; R33-F35 PolarHBondContact O-N 3.04Å
34	G	79.7	Confident	76.6	Confident	48 Å²	48	91.5 Å²	91.5	50%	0.495	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	11.8	178.6	0	0	0	0	0	115.4	L30 L31 Y32 T36	L30-G34 PolarHBondContact O-N 3.44Å; L30-G34 VanDerWaalsContact O-N 3.14Å; L31-G34 PolarHBondContact O-N 2.88Å; Y32-G34 VanDerWaalsContact C-N 3.33Å; G34-T36 PolarHBondContact O-N 2.87Å
35	F	80.6	Confident	76.4	Confident	110 Å²	110	89.7 Å²	89.7	48%	0.482	45%	0.448	S	S	.	.			trans	-79	59.5	-178.4	-63.4	-55.9	0	0	0	112.3	L30 R33 S37 T38 L39	L30-F35 HydrophobicContact CD2-CB 4.08Å; L30-F35 HydrophobicContact CD2-CD2 4.06Å; L30-F35 PolarHBondContact O-N 3.49Å; R33-F35 VanDerWaalsContact C-N 3.32Å; R33-F35 HydrophobicContact CB-CD2 3.48Å; R33-F35 VanDerWaalsContact CB-CD2 3.48Å; R33-F35 HydrophobicContact CB-CE2 3.58Å; R33-F35 HydrophobicContact CB-CG 4.38Å; R33-F35 HydrophobicContact CG-CD2 4.43Å; R33-F35 HydrophobicContact CG-CE2 4.22Å; R33-F35 PolarHBondContact O-N 3.04Å; F35-S37 PolarHBondContact O-N 3.31Å; F35-T38 WeakPolarHBondContact CB-OG1 3.21Å; F35-T38 PolarHBondContact O-N 2.99Å; F35-T38 PolarHBondContact O-OG1 3.26Å; F35-L39 WeakPolarHBondContact O-CB 3.21Å; F35-L39 PolarHBondContact O-N 3.3Å
36	T	81.9	Confident	76.3	Confident	85 Å²	85	86.7 Å²	86.7	52%	0.521	44%	0.435	S	S	.	.	H	α-helix	trans	-65.5	-20.8	-173.7	58.5	0	0	0	0	114.5	G34 K40	G34-T36 PolarHBondContact O-N 2.87Å; T36-K40 WeakPolarHBondContact O-CG 3.47Å; T36-K40 PolarHBondContact O-N 3.31Å
37	S	75.8	Confident	75.8	Confident	89 Å²	89	92.2 Å²	92.2	62%	0.622	46%	0.455	S	S	*	.	H	α-helix	trans	-75.5	-46.7	174	50.4	0	0	0	0	112.4	F35 L39 K40 Q41	F35-S37 PolarHBondContact O-N 3.31Å; S37-L39 VanDerWaalsContact C-N 3.34Å; S37-K40 PolarHBondContact O-N 3.45Å; S37-Q41 PolarHBondContact O-N 2.9Å
38	T	78.3	Confident	74.9	Confident	69 Å²	69	92.3 Å²	92.3	42%	0.423	47%	0.471	S	S	.	.	H	α-helix	trans	-73.4	-28.1	176.5	59.5	0	0	0	0	112	F35 Q41 L42	F35-T38 WeakPolarHBondContact CB-OG1 3.21Å; F35-T38 PolarHBondContact O-N 2.99Å; F35-T38 PolarHBondContact O-OG1 3.26Å; T38-Q41 PolarHBondContact O-N 3.11Å; T38-L42 WeakPolarHBondContact O-CB 3.45Å; T38-L42 PolarHBondContact O-N 3.44Å
39	L	80.6	Confident	73.9	Confident	25 Å²	25	90.5 Å²	90.5	13%	0.131	46%	0.464	C	S	.	.	H	α-helix	trans	-58.6	-47.7	167.6	-172.2	77.5	0	0	0	111.3	R27 L30 L31 F35 S37 Q41 L42 D43	R27-L39 HydrophobicContact CB-CD1 3.97Å; R27-L39 HydrophobicContact CG-CD1 3.84Å; L30-L39 HydrophobicContact CB-CD1 4.06Å; L30-L39 HydrophobicContact CD1-CD1 4.48Å; L31-L39 HydrophobicContact CD1-CD2 3.75Å; F35-L39 WeakPolarHBondContact O-CB 3.21Å; F35-L39 PolarHBondContact O-N 3.3Å; S37-L39 VanDerWaalsContact C-N 3.34Å; L39-Q41 VanDerWaalsContact C-N 3.32Å; L39-Q41 PolarHBondContact O-N 3.07Å; L39-L42 PolarHBondContact O-N 3.37Å; L39-D43 WeakPolarHBondContact O-CB 3.46Å; L39-D43 PolarHBondContact O-N 2.97Å
40	K	78.6	Confident	72.7	Confident	158 Å²	158	90.9 Å²	90.9	69%	0.687	47%	0.469	S	S	*	.	H	α-helix	trans	-63.9	-35.5	175.9	-76.5	175.1	-179.4	-178.4	0	112.9	T36 S37 S44	T36-K40 WeakPolarHBondContact O-CG 3.47Å; T36-K40 PolarHBondContact O-N 3.31Å; S37-K40 PolarHBondContact O-N 3.45Å; K40-S44 WeakPolarHBondContact O-CB 3.35Å; K40-S44 PolarHBondContact O-N 2.86Å
41	Q	77.1	Confident	71.5	Confident	105 Å²	105	91.1 Å²	91.1	49%	0.491	47%	0.469	S	S	.	.	H	α-helix	trans	-66.8	-47.5	173.7	-170.2	61.1	46.9	0	0	110.8	S37 T38 L39 D43 S44 D45	S37-Q41 PolarHBondContact O-N 2.9Å; T38-Q41 PolarHBondContact O-N 3.11Å; L39-Q41 VanDerWaalsContact C-N 3.32Å; L39-Q41 PolarHBondContact O-N 3.07Å; Q41-D43 VanDerWaalsContact C-N 3.33Å; Q41-D43 PolarHBondContact O-N 3.36Å; Q41-S44 CarbonylContact O-C 3.35Å; Q41-S44 WeakPolarHBondContact O-CA 3.28Å; Q41-S44 VanDerWaalsContact O-CB 3.31Å; Q41-S44 WeakPolarHBondContact O-CB 3.47Å; Q41-S44 PolarHBondContact O-N 3.1Å; Q41-D45 PolarHBondContact NE2-OD1 2.69Å; Q41-D45 PolarHBondContact O-N 3.27Å
42	L	73.1	Confident	70.2	Confident	39 Å²	39	89.5 Å²	89.5	20%	0.204	46%	0.457	C	S	.	.	H	α-helix	trans	-58.2	-42.3	175.6	-178.2	66.2	0	0	0	112.1	V26 R27 L30 T38 L39 S44 D45 I46	V26-L42 HydrophobicContact CG1-CD2 3.8Å; R27-L42 HydrophobicContact CG-CD2 4.3Å; L30-L42 HydrophobicContact CD1-CD2 3.77Å; T38-L42 WeakPolarHBondContact O-CB 3.45Å; T38-L42 PolarHBondContact O-N 3.44Å; L39-L42 PolarHBondContact O-N 3.37Å; L42-S44 VanDerWaalsContact C-N 3.27Å; L42-S44 PolarHBondContact O-N 2.81Å; L42-D45 PolarHBondContact O-N 3.11Å; L42-I46 HydrophobicContact CD1-CD1 3.84Å; L42-I46 HydrophobicContact CD1-CG1 4.28Å; L42-I46 HydrophobicContact CG-CD1 3.81Å; L42-I46 WeakPolarHBondContact O-CB 3.4Å; L42-I46 VanDerWaalsContact O-CG1 3.27Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.36Å
43	D	72.6	Confident	69.1	Low	49 Å²	49	80.9 Å²	80.9	26%	0.262	43%	0.429	S	S	.	.	H	α-helix	trans	-68.1	-23	173.8	-80.1	-34	0	0	0	113.7	R27 L39 Q41 K47	R27-D43 IonicContact CZ-OD1 2.64Å; R27-D43 IonicContact NE-OD1 3.69Å; R27-D43 PolarHBondContact NE-OD1 3.11Å; R27-D43 IonicContact NH2-OD1 3.33Å; R27-D43 PolarHBondContact NH2-OD1 3.26Å; L39-D43 WeakPolarHBondContact O-CB 3.46Å; L39-D43 PolarHBondContact O-N 2.97Å; Q41-D43 VanDerWaalsContact C-N 3.33Å; Q41-D43 PolarHBondContact O-N 3.36Å; D43-K47 VanDerWaalsContact O-CD 3.28Å; D43-K47 WeakPolarHBondContact O-CD 3.15Å; D43-K47 WeakPolarHBondContact O-CG 3.28Å
44	S	73	Confident	68.2	Low	62 Å²	62	77.5 Å²	77.5	43%	0.434	42%	0.418	S	S	.	.	H	α-helix	trans	-80.3	-43.4	172.1	-170.7	0	0	0	0	111	K40 Q41 L42 K47 A48	K40-S44 WeakPolarHBondContact O-CB 3.35Å; K40-S44 PolarHBondContact O-N 2.86Å; Q41-S44 CarbonylContact O-C 3.35Å; Q41-S44 WeakPolarHBondContact O-CA 3.28Å; Q41-S44 VanDerWaalsContact O-CB 3.31Å; Q41-S44 WeakPolarHBondContact O-CB 3.47Å; Q41-S44 PolarHBondContact O-N 3.1Å; L42-S44 VanDerWaalsContact C-N 3.27Å; L42-S44 PolarHBondContact O-N 2.81Å; S44-K47 CarbonylContact O-C 3.16Å; S44-K47 PolarHBondContact O-N 2.86Å; S44-K47 VanDerWaalsContact O-N 3.16Å; S44-A48 WeakPolarHBondContact O-CB 3.39Å; S44-A48 PolarHBondContact O-N 3.12Å
45	D	65.9	Low	67.6	Low	85 Å²	85	79.8 Å²	79.8	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-67.5	-43	-178.8	-63.1	-18.1	0	0	0	110.5	Q41 L42 K47 A48 D49	Q41-D45 PolarHBondContact NE2-OD1 2.69Å; Q41-D45 PolarHBondContact O-N 3.27Å; L42-D45 PolarHBondContact O-N 3.11Å; D45-K47 PolarHBondContact O-N 3.2Å; D45-A48 CarbonylContact O-C 3.55Å; D45-A48 PolarHBondContact O-N 3.22Å; D45-A48 VanDerWaalsContact O-N 3.09Å; D45-D49 PolarHBondContact O-N 3.09Å
46	I	65	Low	67.5	Low	56 Å²	56	75 Å²	75	29%	0.287	39%	0.391	S	S	.	.	H	α-helix	trans	-63.7	-25.8	173	-69.8	169.5	0	0	0	112.2	D23 L42	D23-I46 HydrophobicContact CB-CD1 4.35Å; L42-I46 HydrophobicContact CD1-CD1 3.84Å; L42-I46 HydrophobicContact CD1-CG1 4.28Å; L42-I46 HydrophobicContact CG-CD1 3.81Å; L42-I46 WeakPolarHBondContact O-CB 3.4Å; L42-I46 VanDerWaalsContact O-CG1 3.27Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.36Å
47	K	62.6	Low	67.3	Low	177 Å²	177	75.1 Å²	75.1	77%	0.77	39%	0.389	S	S	*	.	H	α-helix	trans	-84.5	-25.4	172.9	-74.9	174.9	-170.4	174.1	0	113.4	D43 S44 D45 D49	D43-K47 VanDerWaalsContact O-CD 3.28Å; D43-K47 WeakPolarHBondContact O-CD 3.15Å; D43-K47 WeakPolarHBondContact O-CG 3.28Å; S44-K47 CarbonylContact O-C 3.16Å; S44-K47 PolarHBondContact O-N 2.86Å; S44-K47 VanDerWaalsContact O-N 3.16Å; D45-K47 PolarHBondContact O-N 3.2Å; K47-D49 VanDerWaalsContact C-N 3.33Å
48	A	56.2	Low	67.5	Low	75 Å²	75	75.2 Å²	75.2	62%	0.62	38%	0.376	S	S	*	.	H	α-helix	trans	-84	-11.4	173.5	0	0	0	0	0	112.7	S44 D45 K50	S44-A48 WeakPolarHBondContact O-CB 3.39Å; S44-A48 PolarHBondContact O-N 3.12Å; D45-A48 CarbonylContact O-C 3.55Å; D45-A48 PolarHBondContact O-N 3.22Å; D45-A48 VanDerWaalsContact O-N 3.09Å; A48-K50 PolarHBondContact O-N 3.11Å
49	D	55.1	Low	67.7	Low	58 Å²	58	72.2 Å²	72.2	31%	0.31	36%	0.357	S	S	.	.			trans	-64.7	115.9	-174.5	-178.1	21.7	0	0	0	113	D45 K47 E51	D45-D49 PolarHBondContact O-N 3.09Å; K47-D49 VanDerWaalsContact C-N 3.33Å; D49-E51 VanDerWaalsContact C-N 3.25Å; D49-E51 PolarHBondContact O-N 3.32Å; D49-E51 WeakPolarHBondContact OD1-CB 3.48Å; D49-E51 VanDerWaalsContact OD1-CD 3.22Å; D49-E51 WeakPolarHBondContact OD1-CG 3.16Å; D49-E51 PolarHBondContact OD1-N 2.87Å; D49-E51 VanDerWaalsContact OD1-OE1 3.14Å
50	K	52.8	Low	68.1	Low	134 Å²	134	71.7 Å²	71.7	58%	0.583	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-10.5	174.7	-67.8	-175.7	176.2	-175.9	0	113	A48	A48-K50 PolarHBondContact O-N 3.11Å
51	E	54	Low	68.4	Low	32 Å²	32	69.1 Å²	69.1	15%	0.15	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-20.1	-172.8	-59.8	151.8	-127.3	0	0	111.9	D49 G53 F54 Y81 R85	D49-E51 VanDerWaalsContact C-N 3.25Å; D49-E51 PolarHBondContact O-N 3.32Å; D49-E51 WeakPolarHBondContact OD1-CB 3.48Å; D49-E51 VanDerWaalsContact OD1-CD 3.22Å; D49-E51 WeakPolarHBondContact OD1-CG 3.16Å; D49-E51 PolarHBondContact OD1-N 2.87Å; D49-E51 VanDerWaalsContact OD1-OE1 3.14Å; E51-G53 PolarHBondContact O-N 3.28Å; E51-F54 HydrophobicContact CB-CE2 4.27Å; E51-F54 HydrophobicContact CB-CZ 4.28Å; E51-F54 HydrophobicContact CG-CE1 4.4Å; E51-F54 HydrophobicContact CG-CE2 4.47Å; E51-F54 HydrophobicContact CG-CZ 4.09Å; E51-F54 PolarHBondContact O-N 3.18Å; E51-F54 VanDerWaalsContact OE2-CE2 3.3Å; E51-F54 WeakPolarHBondContact OE2-CE2 3.45Å; E51-F54 WeakPolarHBondContact OE2-CZ 3.35Å; E51-Y81 VanDerWaalsContact CD-OH 3.29Å; E51-Y81 WeakPolarHBondContact CG-OH 3.39Å; E51-Y81 PolarHBondContact OE1-OH 3.46Å; E51-Y81 VanDerWaalsContact OE1-OH 3.04Å; E51-R85 VanDerWaalsContact CD-NH1 3.35Å; E51-R85 IonicContact OE1-CZ 3.89Å; E51-R85 IonicContact OE1-NH1 3.43Å; E51-R85 PolarHBondContact OE1-NH1 3.35Å; E51-R85 IonicContact OE1-NH2 3.51Å; E51-R85 PolarHBondContact OE1-NH2 3.31Å; E51-R85 IonicContact OE2-CZ 2.72Å; E51-R85 IonicContact OE2-NE 2.7Å; E51-R85 IonicContact OE2-NH1 3.52Å; E51-R85 IonicContact OE2-NH2 2.77Å; E51-R85 PolarHBondContact OE2-NH2 3.25Å
52	K	54.4	Low	68.9	Low	80 Å²	80	66.1 Å²	66.1	35%	0.348	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.5	31.8	179.2	-58.4	-175.8	-178.9	176.9	0	113.9	R58	K52-R58 HydrophobicContact CB-CB 4.49Å; K52-R58 HydrophobicContact CD-CB 4.23Å; K52-R58 PolarHBondContact O-NH1 2.83Å
53	G	53.3	Low	69.6	Low	18 Å²	18	64.5 Å²	64.5	19%	0.186	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	29.4	-177.4	0	0	0	0	0	116	E51 R55	E51-G53 PolarHBondContact O-N 3.28Å; G53-R55 WeakPolarHBondContact O-CG 3.29Å; G53-R55 PolarHBondContact O-N 2.78Å
54	F	60.9	Low	70.4	Confident	73 Å²	73	64.7 Å²	64.7	32%	0.32	32%	0.321	S	S	.	.	S	Bend	trans	55.1	21.4	175.5	-71.8	-75.4	0	0	0	116	E51 V56 L86 F181	E51-F54 HydrophobicContact CB-CE2 4.27Å; E51-F54 HydrophobicContact CB-CZ 4.28Å; E51-F54 HydrophobicContact CG-CE1 4.4Å; E51-F54 HydrophobicContact CG-CE2 4.47Å; E51-F54 HydrophobicContact CG-CZ 4.09Å; E51-F54 PolarHBondContact O-N 3.18Å; E51-F54 VanDerWaalsContact OE2-CE2 3.3Å; E51-F54 WeakPolarHBondContact OE2-CE2 3.45Å; E51-F54 WeakPolarHBondContact OE2-CZ 3.35Å; F54-V56 PolarHBondContact O-N 3.37Å; F54-L86 HydrophobicContact CE1-CD2 4.15Å; F54-F181 HydrophobicContact CB-CE1 4.02Å; F54-F181 HydrophobicContact CB-CZ 4.36Å; F54-F181 AromaticContact CD1-CE1 3.52Å; F54-F181 HydrophobicContact CD1-CE1 3.52Å; F54-F181 AromaticContact CD1-CZ 3.88Å; F54-F181 HydrophobicContact CD1-CZ 3.88Å; F54-F181 HydrophobicContact CE1-CE1 4.35Å; F54-F181 HydrophobicContact CG-CE1 4.11Å
55	R	68.4	Low	71.2	Confident	97 Å²	97	67.5 Å²	67.5	37%	0.366	33%	0.328	S	S	.	.			trans	-75.3	119	-180	-54.2	-170.7	-175.8	-150.7	3	110.1	E20 G53 D57 R58 I59	E20-R55 IonicContact OE1-CZ 2.69Å; E20-R55 IonicContact OE1-NE 3.89Å; E20-R55 IonicContact OE1-NH2 2.78Å; E20-R55 PolarHBondContact OE1-NH2 3.2Å; E20-R55 IonicContact OE2-NH2 2.96Å; E20-R55 PolarHBondContact OE2-NH2 3.05Å; G53-R55 WeakPolarHBondContact O-CG 3.29Å; G53-R55 PolarHBondContact O-N 2.78Å; R55-D57 VanDerWaalsContact C-N 3.26Å; R55-D57 PolarHBondContact O-N 3.46Å; R55-R58 HydrophobicContact CB-CB 4.39Å; R55-R58 HydrophobicContact CB-CG 4.22Å; R55-R58 WeakPolarHBondContact O-CB 3.47Å; R55-R58 PolarHBondContact O-N 3.39Å; R55-I59 PolarHBondContact O-N 3.2Å
56	V	78.1	Confident	72.2	Confident	8 Å²	8	65 Å²	65	5%	0.048	31%	0.314	C	S	.	.	H	α-helix	trans	-50.8	-45.1	-177	177.1	0	0	0	0	112.2	F54 R58 I59 I60 H174 L177 F181	F54-V56 PolarHBondContact O-N 3.37Å; V56-R58 VanDerWaalsContact C-N 3.28Å; V56-R58 PolarHBondContact O-N 3.15Å; V56-I59 WeakPolarHBondContact O-CB 3.35Å; V56-I59 PolarHBondContact O-N 2.95Å; V56-I59 VanDerWaalsContact O-N 3.11Å; V56-I60 HydrophobicContact CG1-CD1 3.93Å; V56-I60 PolarHBondContact O-N 3.45Å; V56-H174 HydrophobicContact CG1-CB 4.35Å; V56-L177 HydrophobicContact CG1-CB 3.82Å; V56-L177 HydrophobicContact CG1-CD1 4.31Å; V56-L177 HydrophobicContact CG2-CB 4.06Å; V56-F181 HydrophobicContact CG2-CD2 3.55Å; V56-F181 HydrophobicContact CG2-CE2 3.86Å
57	D	77.1	Confident	73.4	Confident	88 Å²	88	62.3 Å²	62.3	47%	0.471	30%	0.3	S	S	.	.	H	α-helix	trans	-57.1	-44	-179	-39.4	-67.6	0	0	0	111	R55 I59 I60 E61 H174	R55-D57 VanDerWaalsContact C-N 3.26Å; R55-D57 PolarHBondContact O-N 3.46Å; D57-I59 PolarHBondContact O-N 2.96Å; D57-I60 PolarHBondContact O-N 3.44Å; D57-E61 WeakPolarHBondContact O-CB 3.38Å; D57-E61 VanDerWaalsContact O-CG 3.31Å; D57-E61 WeakPolarHBondContact O-CG 3.39Å; D57-E61 PolarHBondContact O-N 3.24Å; D57-H174 IonicContact OD1-CD2 2.75Å; D57-H174 IonicContact OD1-CE1 3.39Å; D57-H174 IonicContact OD1-NE2 2.69Å; D57-H174 PolarHBondContact OD1-NE2 3.34Å
58	R	80.7	Confident	74.6	Confident	92 Å²	92	58.8 Å²	58.8	35%	0.347	29%	0.287	S	S	.	.	H	α-helix	trans	-68.8	-31.5	179.8	-68.6	-177.6	168.1	174.6	-6.2	113.3	K52 R55 V56 Q62	K52-R58 HydrophobicContact CB-CB 4.49Å; K52-R58 HydrophobicContact CD-CB 4.23Å; K52-R58 PolarHBondContact O-NH1 2.83Å; R55-R58 HydrophobicContact CB-CB 4.39Å; R55-R58 HydrophobicContact CB-CG 4.22Å; R55-R58 WeakPolarHBondContact O-CB 3.47Å; R55-R58 PolarHBondContact O-N 3.39Å; V56-R58 VanDerWaalsContact C-N 3.28Å; V56-R58 PolarHBondContact O-N 3.15Å; R58-Q62 WeakPolarHBondContact O-CG 3.49Å; R58-Q62 PolarHBondContact O-N 3.35Å; R58-Q62 VanDerWaalsContact O-N 3.15Å
59	I	83.3	Confident	76.1	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-41.9	174.8	-62.8	171.2	0	0	0	109.2	R55 V56 D57 Q62 L63 Y78 L82 L177 F181	R55-I59 PolarHBondContact O-N 3.2Å; V56-I59 WeakPolarHBondContact O-CB 3.35Å; V56-I59 PolarHBondContact O-N 2.95Å; V56-I59 VanDerWaalsContact O-N 3.11Å; D57-I59 PolarHBondContact O-N 2.96Å; I59-Q62 PolarHBondContact O-N 2.94Å; I59-L63 HydrophobicContact CG2-CD1 4.38Å; I59-L63 WeakPolarHBondContact O-CG 3.31Å; I59-L63 PolarHBondContact O-N 2.81Å; I59-Y78 HydrophobicContact CG2-CE1 4.02Å; I59-L82 HydrophobicContact CG2-CD1 3.95Å; I59-L82 HydrophobicContact CG2-CD2 4.2Å; I59-L177 HydrophobicContact CG2-CD1 4.09Å; I59-F181 HydrophobicContact CD1-CE2 3.91Å; I59-F181 HydrophobicContact CD1-CZ 3.82Å
60	I	87.1	Confident	77.6	Confident	13 Å²	13	58 Å²	58	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-71.3	-41.3	178.1	-67.3	174.9	0	0	0	111.5	V56 D57 Q62 L63 Q64 L170 L173 H174 L177	V56-I60 HydrophobicContact CG1-CD1 3.93Å; V56-I60 PolarHBondContact O-N 3.45Å; D57-I60 PolarHBondContact O-N 3.44Å; I60-Q62 VanDerWaalsContact C-N 3.28Å; I60-Q62 PolarHBondContact O-N 2.79Å; I60-L63 PolarHBondContact O-N 2.83Å; I60-Q64 HydrophobicContact CG2-CG 4.27Å; I60-Q64 WeakPolarHBondContact O-CB 3.28Å; I60-Q64 VanDerWaalsContact O-CG 3.31Å; I60-Q64 WeakPolarHBondContact O-CG 3.5Å; I60-Q64 PolarHBondContact O-N 3.25Å; I60-L170 HydrophobicContact CG2-CD2 4.07Å; I60-L173 HydrophobicContact CD1-CG 4.43Å; I60-L173 HydrophobicContact CG1-CD2 4.35Å; I60-L173 HydrophobicContact CG1-CG 4.47Å; I60-H174 VanDerWaalsContact CD1-CA 3.49Å; I60-H174 HydrophobicContact CD1-CB 3.55Å; I60-L177 HydrophobicContact CG1-CD1 4.31Å
61	E	86.8	Confident	79.2	Confident	105 Å²	105	54.5 Å²	54.5	49%	0.491	26%	0.263	S	S	.	.	H	α-helix	trans	-52.2	-45.1	170.2	-76.9	170	178.9	0	0	111.4	D57 Q65	D57-E61 WeakPolarHBondContact O-CB 3.38Å; D57-E61 VanDerWaalsContact O-CG 3.31Å; D57-E61 WeakPolarHBondContact O-CG 3.39Å; D57-E61 PolarHBondContact O-N 3.24Å; E61-Q65 VanDerWaalsContact O-CB 3.28Å; E61-Q65 WeakPolarHBondContact O-CB 3.31Å; E61-Q65 PolarHBondContact O-N 3.45Å
62	Q	85.6	Confident	80.7	Confident	42 Å²	42	53.5 Å²	53.5	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-71.9	-39	179.3	-68.5	-149.5	-77.8	0	0	113.2	R58 I59 I60 Q64 Q65 L66 Y78	R58-Q62 WeakPolarHBondContact O-CG 3.49Å; R58-Q62 PolarHBondContact O-N 3.35Å; R58-Q62 VanDerWaalsContact O-N 3.15Å; I59-Q62 PolarHBondContact O-N 2.94Å; I60-Q62 VanDerWaalsContact C-N 3.28Å; I60-Q62 PolarHBondContact O-N 2.79Å; Q62-Q64 VanDerWaalsContact C-N 3.35Å; Q62-Q65 PolarHBondContact O-N 3.37Å; Q62-L66 WeakPolarHBondContact O-CB 3.46Å; Q62-L66 VanDerWaalsContact O-CG 3.3Å; Q62-L66 WeakPolarHBondContact O-CG 3.33Å; Q62-L66 PolarHBondContact O-N 3.07Å; Q62-Y78 HydrophobicContact CB-CE1 4.29Å; Q62-Y78 PolarHBondContact OE1-OH 3.44Å
63	L	88.4	Confident	82.2	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-43.8	172.5	-73.2	172	0	0	0	111.4	I59 I60 L66 V67 L75 Y78 W79 L105 L173	I59-L63 HydrophobicContact CG2-CD1 4.38Å; I59-L63 WeakPolarHBondContact O-CG 3.31Å; I59-L63 PolarHBondContact O-N 2.81Å; I60-L63 PolarHBondContact O-N 2.83Å; L63-L66 PolarHBondContact O-N 3.49Å; L63-V67 WeakPolarHBondContact O-CG2 3.3Å; L63-V67 PolarHBondContact O-N 2.97Å; L63-V67 VanDerWaalsContact O-N 3.07Å; L63-L75 HydrophobicContact CD2-CD1 3.72Å; L63-Y78 HydrophobicContact CD2-CD1 3.71Å; L63-Y78 HydrophobicContact CD2-CE1 4.27Å; L63-Y78 HydrophobicContact CG-CD1 4.09Å; L63-Y78 HydrophobicContact CG-CE1 4.13Å; L63-W79 HydrophobicContact CD1-CZ3 4.49Å; L63-L105 HydrophobicContact CD2-CD2 3.95Å; L63-L173 HydrophobicContact CD1-CD2 3.92Å
64	Q	89.1	Confident	83.8	Confident	53 Å²	53	52.6 Å²	52.6	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-43.1	173.9	-73.1	177.9	-2.3	0	0	111.8	I60 Q62 L66 V67 Q68 L170	I60-Q64 HydrophobicContact CG2-CG 4.27Å; I60-Q64 WeakPolarHBondContact O-CB 3.28Å; I60-Q64 VanDerWaalsContact O-CG 3.31Å; I60-Q64 WeakPolarHBondContact O-CG 3.5Å; I60-Q64 PolarHBondContact O-N 3.25Å; Q62-Q64 VanDerWaalsContact C-N 3.35Å; Q64-L66 PolarHBondContact O-N 2.85Å; Q64-V67 PolarHBondContact O-N 3.34Å; Q64-Q68 WeakPolarHBondContact O-CB 3.22Å; Q64-Q68 VanDerWaalsContact O-CG 3.23Å; Q64-Q68 WeakPolarHBondContact O-CG 3.28Å; Q64-Q68 PolarHBondContact O-N 2.96Å; Q64-L170 HydrophobicContact CG-CD2 4.05Å
65	Q	89.5	Confident	85.1	Confident	121 Å²	121	49.1 Å²	49.1	57%	0.565	25%	0.251	S	S	*	.	H	α-helix	trans	-60.2	-46	178.1	-172.8	178.7	13.6	0	0	111.5	E61 Q62 Q68 S69	E61-Q65 VanDerWaalsContact O-CB 3.28Å; E61-Q65 WeakPolarHBondContact O-CB 3.31Å; E61-Q65 PolarHBondContact O-N 3.45Å; Q62-Q65 PolarHBondContact O-N 3.37Å; Q65-Q68 PolarHBondContact O-N 3.03Å; Q65-S69 WeakPolarHBondContact O-CB 3.37Å; Q65-S69 PolarHBondContact O-N 3.39Å; Q65-S69 PolarHBondContact O-OG 3.16Å
66	L	88.8	Confident	86	Confident	33 Å²	33	46.9 Å²	46.9	17%	0.173	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-37.8	178.2	-70.7	164.9	0	0	0	112.5	Q62 L63 Q64 S69 F70 D71 L75 Y78	Q62-L66 WeakPolarHBondContact O-CB 3.46Å; Q62-L66 VanDerWaalsContact O-CG 3.3Å; Q62-L66 WeakPolarHBondContact O-CG 3.33Å; Q62-L66 PolarHBondContact O-N 3.07Å; L63-L66 PolarHBondContact O-N 3.49Å; Q64-L66 PolarHBondContact O-N 2.85Å; L66-S69 PolarHBondContact O-OG 3.07Å; L66-F70 PolarHBondContact O-N 3.27Å; L66-D71 HydrophobicContact CD2-CB 4.11Å; L66-D71 PolarHBondContact O-N 3.04Å; L66-L75 HydrophobicContact CB-CB 4.31Å; L66-L75 HydrophobicContact CB-CD1 4.02Å; L66-Y78 HydrophobicContact CD1-CG 4.36Å
67	V	89	Confident	86.5	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.4	-44.9	171.3	169.1	0	0	0	0	111	L63 Q64 S69 F70 L75 L105 Y108 Y109 N112	L63-V67 WeakPolarHBondContact O-CG2 3.3Å; L63-V67 PolarHBondContact O-N 2.97Å; L63-V67 VanDerWaalsContact O-N 3.07Å; Q64-V67 PolarHBondContact O-N 3.34Å; V67-S69 VanDerWaalsContact C-N 3.34Å; V67-S69 PolarHBondContact O-N 3.39Å; V67-F70 PolarHBondContact O-N 2.9Å; V67-L75 HydrophobicContact CG2-CD1 4.06Å; V67-L75 HydrophobicContact CG2-CD2 3.95Å; V67-L105 HydrophobicContact CG2-CD1 4.4Å; V67-Y108 HydrophobicContact CB-CE1 4.26Å; V67-Y108 HydrophobicContact CG1-CD1 4.01Å; V67-Y108 HydrophobicContact CG1-CE1 3.81Å; V67-Y108 HydrophobicContact CG2-CD1 4.12Å; V67-Y108 HydrophobicContact CG2-CE1 4.27Å; V67-Y109 HydrophobicContact CG2-CD2 4.23Å; V67-N112 HydrophobicContact CG1-CB 3.94Å; V67-N112 WeakPolarHBondContact CG1-ND2 3.46Å; V67-N112 PolarHBondContact O-ND2 3.46Å
68	Q	87.8	Confident	86.9	Confident	103 Å²	103	50 Å²	50	48%	0.481	25%	0.254	S	S	.	.	H	α-helix	trans	-68.2	-30.1	-179.3	-73.2	176.5	32.4	0	0	113.4	Q64 Q65 F70	Q64-Q68 WeakPolarHBondContact O-CB 3.22Å; Q64-Q68 VanDerWaalsContact O-CG 3.23Å; Q64-Q68 WeakPolarHBondContact O-CG 3.28Å; Q64-Q68 PolarHBondContact O-N 2.96Å; Q65-Q68 PolarHBondContact O-N 3.03Å; Q68-F70 VanDerWaalsContact C-N 3.35Å
69	S	88	Confident	87.3	Confident	72 Å²	72	46 Å²	46	50%	0.503	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.5	174.7	70.2	0	0	0	0	114.2	Q65 L66 V67 D71	Q65-S69 WeakPolarHBondContact O-CB 3.37Å; Q65-S69 PolarHBondContact O-N 3.39Å; Q65-S69 PolarHBondContact O-OG 3.16Å; L66-S69 PolarHBondContact O-OG 3.07Å; V67-S69 VanDerWaalsContact C-N 3.34Å; V67-S69 PolarHBondContact O-N 3.39Å; S69-D71 VanDerWaalsContact C-N 3.27Å; S69-D71 PolarHBondContact O-N 3.33Å
70	F	86.3	Confident	87.4	Confident	43 Å²	43	49.4 Å²	49.4	19%	0.189	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	33.6	-176.7	-45.3	-62.7	0	0	0	114.6	L66 V67 Q68 L72 Y109 N112 T113 K116 N118 K121	L66-F70 PolarHBondContact O-N 3.27Å; V67-F70 PolarHBondContact O-N 2.9Å; Q68-F70 VanDerWaalsContact C-N 3.35Å; F70-L72 PolarHBondContact O-N 2.93Å; F70-Y109 PolarHBondContact O-OH 3.19Å; F70-Y109 VanDerWaalsContact O-OH 3.11Å; F70-N112 WeakPolarHBondContact CE1-ND2 3.46Å; F70-T113 HydrophobicContact CD1-CG2 3.55Å; F70-T113 HydrophobicContact CE1-CG2 3.93Å; F70-T113 HydrophobicContact CG-CG2 4.47Å; F70-K116 HydrophobicContact CE1-CB 4.36Å; F70-K116 HydrophobicContact CE1-CD 3.97Å; F70-K116 HydrophobicContact CZ-CB 3.82Å; F70-K116 HydrophobicContact CZ-CD 3.54Å; F70-K116 HydrophobicContact CZ-CG 4.32Å; F70-N118 HydrophobicContact CZ-CB 4.31Å; F70-K121 HydrophobicContact CB-CD 4.11Å; F70-K121 HydrophobicContact CB-CG 4.11Å
71	D	86.8	Confident	87.2	Confident	62 Å²	62	51.8 Å²	51.8	33%	0.332	27%	0.266	S	S	.	.			trans	-92.7	87.6	176.8	-178.2	13	0	0	0	111.7	L66 S69 A73 G74 L75	L66-D71 HydrophobicContact CD2-CB 4.11Å; L66-D71 PolarHBondContact O-N 3.04Å; S69-D71 VanDerWaalsContact C-N 3.27Å; S69-D71 PolarHBondContact O-N 3.33Å; D71-A73 VanDerWaalsContact C-N 3.25Å; D71-A73 PolarHBondContact O-N 3.42Å; D71-A73 WeakPolarHBondContact OD1-CA 3.41Å; D71-A73 WeakPolarHBondContact OD1-CB 3.5Å; D71-A73 PolarHBondContact OD1-N 3.26Å; D71-G74 VanDerWaalsContact CG-N 3.26Å; D71-G74 PolarHBondContact OD1-N 3.49Å; D71-G74 VanDerWaalsContact OD2-CA 3.28Å; D71-G74 WeakPolarHBondContact OD2-CA 3.43Å; D71-G74 PolarHBondContact OD2-N 2.64Å; D71-G74 VanDerWaalsContact OD2-N 3.16Å; D71-L75 VanDerWaalsContact O-CB 3.22Å; D71-L75 WeakPolarHBondContact O-CB 3.49Å; D71-L75 PolarHBondContact O-N 3.39Å
72	L	86.4	Confident	87	Confident	10 Å²	10	47.1 Å²	47.1	5%	0.052	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-25.3	174.1	-175.5	57.8	0	0	0	113.6	F70 K76 Y109 F125	F70-L72 PolarHBondContact O-N 2.93Å; L72-K76 HydrophobicContact CD1-CD 4.43Å; L72-K76 HydrophobicContact CD1-CG 4.36Å; L72-K76 HydrophobicContact CG-CD 4.38Å; L72-K76 WeakPolarHBondContact O-CB 3.47Å; L72-K76 VanDerWaalsContact O-CG 3.25Å; L72-K76 WeakPolarHBondContact O-CG 3.09Å; L72-K76 PolarHBondContact O-N 2.83Å; L72-Y109 HydrophobicContact CB-CE1 4.47Å; L72-Y109 HydrophobicContact CB-CE2 4.29Å; L72-Y109 HydrophobicContact CD1-CE1 4.39Å; L72-F125 HydrophobicContact CD1-CD2 3.63Å; L72-F125 HydrophobicContact CD1-CE2 3.98Å; L72-F125 HydrophobicContact CD2-CB 4.03Å; L72-F125 HydrophobicContact CD2-CD2 3.68Å; L72-F125 HydrophobicContact CD2-CG 4.27Å; L72-F125 HydrophobicContact CG-CD2 4.32Å
73	A	85.4	Confident	86.8	Confident	63 Å²	63	48 Å²	48	52%	0.521	25%	0.25	S	S	.	.	H	α-helix	trans	-76.9	-53.3	-179.1	0	0	0	0	0	110.2	D71 L75 K76 E77	D71-A73 VanDerWaalsContact C-N 3.25Å; D71-A73 PolarHBondContact O-N 3.42Å; D71-A73 WeakPolarHBondContact OD1-CA 3.41Å; D71-A73 WeakPolarHBondContact OD1-CB 3.5Å; D71-A73 PolarHBondContact OD1-N 3.26Å; A73-L75 VanDerWaalsContact C-N 3.3Å; A73-L75 PolarHBondContact O-N 3.47Å; A73-K76 PolarHBondContact O-N 3.31Å; A73-E77 PolarHBondContact O-N 3.01Å
74	G	86.3	Confident	86.4	Confident	17 Å²	17	56.6 Å²	56.6	18%	0.175	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-38.9	173.8	0	0	0	0	0	112.7	D71 K76 E77 Y78	D71-G74 VanDerWaalsContact CG-N 3.26Å; D71-G74 PolarHBondContact OD1-N 3.49Å; D71-G74 VanDerWaalsContact OD2-CA 3.28Å; D71-G74 WeakPolarHBondContact OD2-CA 3.43Å; D71-G74 PolarHBondContact OD2-N 2.64Å; D71-G74 VanDerWaalsContact OD2-N 3.16Å; G74-K76 PolarHBondContact O-N 3.12Å; G74-E77 PolarHBondContact O-N 3.35Å; G74-Y78 WeakPolarHBondContact O-CB 3.38Å; G74-Y78 PolarHBondContact O-N 3.41Å
75	L	88.8	Confident	85.6	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-43.3	175.5	-169.5	69.3	0	0	0	112.4	L63 L66 V67 D71 A73 W79 L105 Y109	L63-L75 HydrophobicContact CD2-CD1 3.72Å; L66-L75 HydrophobicContact CB-CB 4.31Å; L66-L75 HydrophobicContact CB-CD1 4.02Å; V67-L75 HydrophobicContact CG2-CD1 4.06Å; V67-L75 HydrophobicContact CG2-CD2 3.95Å; D71-L75 VanDerWaalsContact O-CB 3.22Å; D71-L75 WeakPolarHBondContact O-CB 3.49Å; D71-L75 PolarHBondContact O-N 3.39Å; A73-L75 VanDerWaalsContact C-N 3.3Å; A73-L75 PolarHBondContact O-N 3.47Å; L75-W79 WeakPolarHBondContact O-CB 3.46Å; L75-W79 PolarHBondContact O-N 3.02Å; L75-L105 HydrophobicContact CD1-CD1 4.35Å; L75-L105 HydrophobicContact CD1-CD2 4.11Å; L75-L105 HydrophobicContact CD1-CG 4.42Å; L75-L105 HydrophobicContact CD2-CG 4.43Å; L75-L105 HydrophobicContact CG-CD2 4.37Å; L75-Y109 HydrophobicContact CD2-CD2 3.77Å; L75-Y109 HydrophobicContact CD2-CG 4.23Å
76	K	87.5	Confident	84.9	Confident	49 Å²	49	53.6 Å²	53.6	21%	0.213	26%	0.264	C	S	.	.	H	α-helix	trans	-67.8	-45.3	176.5	-76.2	177.3	-175.8	-176.1	0	112.3	L72 A73 G74 W79 L80 Y106 Q129	L72-K76 HydrophobicContact CD1-CD 4.43Å; L72-K76 HydrophobicContact CD1-CG 4.36Å; L72-K76 HydrophobicContact CG-CD 4.38Å; L72-K76 WeakPolarHBondContact O-CB 3.47Å; L72-K76 VanDerWaalsContact O-CG 3.25Å; L72-K76 WeakPolarHBondContact O-CG 3.09Å; L72-K76 PolarHBondContact O-N 2.83Å; A73-K76 PolarHBondContact O-N 3.31Å; G74-K76 PolarHBondContact O-N 3.12Å; K76-W79 PolarHBondContact O-N 3.26Å; K76-L80 VanDerWaalsContact O-CB 3.26Å; K76-L80 WeakPolarHBondContact O-CB 3.23Å; K76-L80 PolarHBondContact O-N 2.83Å; K76-Y106 HydrophobicContact CG-CE1 4.4Å; K76-Q129 VanDerWaalsContact CE-OE1 3.29Å
77	E	87.3	Confident	84.4	Confident	138 Å²	138	52.6 Å²	52.6	65%	0.645	26%	0.259	S	S	*	.	H	α-helix	trans	-63.2	-41.8	177.8	-73.7	-165.3	172.4	0	0	111.9	A73 G74 L80 Y81	A73-E77 PolarHBondContact O-N 3.01Å; G74-E77 PolarHBondContact O-N 3.35Å; E77-L80 PolarHBondContact O-N 2.67Å; E77-Y81 WeakPolarHBondContact O-CB 3.19Å; E77-Y81 PolarHBondContact O-N 3.41Å
78	Y	87	Confident	83.6	Confident	24 Å²	24	56.5 Å²	56.5	9%	0.094	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-40.9	178.7	-163.7	-103.7	0	0	0	111.8	I59 Q62 L63 L66 G74 Y81 L82	I59-Y78 HydrophobicContact CG2-CE1 4.02Å; Q62-Y78 HydrophobicContact CB-CE1 4.29Å; Q62-Y78 PolarHBondContact OE1-OH 3.44Å; L63-Y78 HydrophobicContact CD2-CD1 3.71Å; L63-Y78 HydrophobicContact CD2-CE1 4.27Å; L63-Y78 HydrophobicContact CG-CD1 4.09Å; L63-Y78 HydrophobicContact CG-CE1 4.13Å; L66-Y78 HydrophobicContact CD1-CG 4.36Å; G74-Y78 WeakPolarHBondContact O-CB 3.38Å; G74-Y78 PolarHBondContact O-N 3.41Å; Y78-Y81 WeakPolarHBondContact O-CB 3.16Å; Y78-Y81 PolarHBondContact O-N 3Å; Y78-L82 HydrophobicContact CD1-CD1 4.13Å; Y78-L82 HydrophobicContact CE1-CD1 4.1Å; Y78-L82 WeakPolarHBondContact O-CG 3.45Å; Y78-L82 PolarHBondContact O-N 3.39Å
79	W	88.4	Confident	82.6	Confident	8 Å²	8	60.8 Å²	60.8	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-44.2	173	-169.1	-84.8	0	0	0	112.4	L63 L75 K76 Y81 L82 D83 F87 V98 L101 R102 L105 L173	L63-W79 HydrophobicContact CD1-CZ3 4.49Å; L75-W79 WeakPolarHBondContact O-CB 3.46Å; L75-W79 PolarHBondContact O-N 3.02Å; K76-W79 PolarHBondContact O-N 3.26Å; W79-Y81 PolarHBondContact O-N 3.36Å; W79-L82 PolarHBondContact O-N 3.49Å; W79-D83 WeakPolarHBondContact O-CB 3.44Å; W79-D83 PolarHBondContact O-N 3.45Å; W79-F87 AromaticContact CE2-CE2 3.88Å; W79-F87 HydrophobicContact CH2-CE2 4.21Å; W79-F87 HydrophobicContact CH2-CZ 4.41Å; W79-F87 AromaticContact CZ2-CE2 3.74Å; W79-F87 HydrophobicContact CZ2-CE2 3.74Å; W79-F87 HydrophobicContact CZ2-CZ 4.36Å; W79-V98 HydrophobicContact CZ2-CG1 4.22Å; W79-L101 HydrophobicContact CH2-CB 3.94Å; W79-L101 HydrophobicContact CZ2-CB 4.36Å; W79-R102 HydrophobicContact CZ2-CB 3.88Å; W79-L105 HydrophobicContact CD2-CD2 4.13Å; W79-L105 HydrophobicContact CE3-CD2 3.36Å; W79-L105 HydrophobicContact CZ3-CD2 3.8Å; W79-L173 HydrophobicContact CH2-CD1 4.21Å; W79-L173 HydrophobicContact CZ3-CD1 4.22Å
80	L	85.7	Confident	81.8	Confident	78 Å²	78	59.6 Å²	59.6	41%	0.408	28%	0.284	S	S	.	.	H	α-helix	trans	-64	-30.2	176.6	-177.3	63.2	0	0	0	112.3	K76 E77 R84	K76-L80 VanDerWaalsContact O-CB 3.26Å; K76-L80 WeakPolarHBondContact O-CB 3.23Å; K76-L80 PolarHBondContact O-N 2.83Å; E77-L80 PolarHBondContact O-N 2.67Å; L80-R84 HydrophobicContact CD1-CG 4.41Å; L80-R84 VanDerWaalsContact O-CB 3.31Å; L80-R84 WeakPolarHBondContact O-CB 3.39Å; L80-R84 WeakPolarHBondContact O-CG 3.35Å; L80-R84 PolarHBondContact O-N 2.82Å
81	Y	83.1	Confident	81	Confident	62 Å²	62	63.8 Å²	63.8	24%	0.243	31%	0.305	C	S	.	.	H	α-helix	trans	-69.3	-44.6	173.5	168.1	-86.8	0	0	0	112	E51 E77 Y78 W79 D83 R84 R85	E51-Y81 VanDerWaalsContact CD-OH 3.29Å; E51-Y81 WeakPolarHBondContact CG-OH 3.39Å; E51-Y81 PolarHBondContact OE1-OH 3.46Å; E51-Y81 VanDerWaalsContact OE1-OH 3.04Å; E77-Y81 WeakPolarHBondContact O-CB 3.19Å; E77-Y81 PolarHBondContact O-N 3.41Å; Y78-Y81 WeakPolarHBondContact O-CB 3.16Å; Y78-Y81 PolarHBondContact O-N 3Å; W79-Y81 PolarHBondContact O-N 3.36Å; Y81-D83 VanDerWaalsContact C-N 3.33Å; Y81-R84 PolarHBondContact O-N 3.25Å; Y81-R85 WeakPolarHBondContact O-CB 3.28Å; Y81-R85 PolarHBondContact O-N 3.35Å; Y81-R85 PolarHBondContact OH-NH1 3.03Å
82	L	82.1	Confident	80.3	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.037	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-42.2	171.6	-65.7	170.1	0	0	0	110.9	I59 Y78 W79 R85 L86 F87	I59-L82 HydrophobicContact CG2-CD1 3.95Å; I59-L82 HydrophobicContact CG2-CD2 4.2Å; Y78-L82 HydrophobicContact CD1-CD1 4.13Å; Y78-L82 HydrophobicContact CE1-CD1 4.1Å; Y78-L82 WeakPolarHBondContact O-CG 3.45Å; Y78-L82 PolarHBondContact O-N 3.39Å; W79-L82 PolarHBondContact O-N 3.49Å; L82-R85 PolarHBondContact O-N 3.15Å; L82-L86 HydrophobicContact CD2-CD1 3.86Å; L82-L86 WeakPolarHBondContact O-CA 3.49Å; L82-L86 WeakPolarHBondContact O-CB 3.28Å; L82-L86 PolarHBondContact O-N 3.47Å; L82-F87 HydrophobicContact CB-CE2 3.89Å; L82-F87 HydrophobicContact CB-CZ 3.99Å; L82-F87 PolarHBondContact O-N 3.32Å
83	D	82.1	Confident	79.4	Confident	61 Å²	61	68.3 Å²	68.3	33%	0.326	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-48.5	177.8	-170.5	67.2	0	0	0	112.4	W79 Y81 R85 F87 C88	W79-D83 WeakPolarHBondContact O-CB 3.44Å; W79-D83 PolarHBondContact O-N 3.45Å; Y81-D83 VanDerWaalsContact C-N 3.33Å; D83-R85 PolarHBondContact O-N 3.22Å; D83-F87 VanDerWaalsContact CA-CD2 3.47Å; D83-F87 HydrophobicContact CB-CD2 3.94Å; D83-F87 PolarHBondContact O-N 3.17Å; D83-C88 WeakPolarHBondContact O-CB 3.36Å; D83-C88 PolarHBondContact O-N 2.99Å
84	R	79.6	Confident	79	Confident	184 Å²	184	70.4 Å²	70.4	69%	0.694	33%	0.326	S	S	*	.	H	α-helix	trans	-67.4	-15.7	178.8	-76.2	173.8	177.4	-167.2	1	115.3	L80 Y81 C88	L80-R84 HydrophobicContact CD1-CG 4.41Å; L80-R84 VanDerWaalsContact O-CB 3.31Å; L80-R84 WeakPolarHBondContact O-CB 3.39Å; L80-R84 WeakPolarHBondContact O-CG 3.35Å; L80-R84 PolarHBondContact O-N 2.82Å; Y81-R84 PolarHBondContact O-N 3.25Å; R84-C88 PolarHBondContact O-SG 3.07Å
85	R	72.5	Confident	78.7	Confident	104 Å²	104	77.3 Å²	77.3	39%	0.392	35%	0.346	S	S	.	.	H	α-helix	trans	-122.4	-31.1	-169.5	-160.5	170	-175.3	165.5	-7.4	114.6	E51 Y81 L82 D83	E51-R85 VanDerWaalsContact CD-NH1 3.35Å; E51-R85 IonicContact OE1-CZ 3.89Å; E51-R85 IonicContact OE1-NH1 3.43Å; E51-R85 PolarHBondContact OE1-NH1 3.35Å; E51-R85 IonicContact OE1-NH2 3.51Å; E51-R85 PolarHBondContact OE1-NH2 3.31Å; E51-R85 IonicContact OE2-CZ 2.72Å; E51-R85 IonicContact OE2-NE 2.7Å; E51-R85 IonicContact OE2-NH1 3.52Å; E51-R85 IonicContact OE2-NH2 2.77Å; E51-R85 PolarHBondContact OE2-NH2 3.25Å; Y81-R85 WeakPolarHBondContact O-CB 3.28Å; Y81-R85 PolarHBondContact O-N 3.35Å; Y81-R85 PolarHBondContact OH-NH1 3.03Å; L82-R85 PolarHBondContact O-N 3.15Å; D83-R85 PolarHBondContact O-N 3.22Å
86	L	74.6	Confident	78.3	Confident	7 Å²	7	79 Å²	79	4%	0.037	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-60.1	176.9	-57.6	176.1	0	0	0	110.5	F54 L82 C88 R89 L180 F181 M184	F54-L86 HydrophobicContact CE1-CD2 4.15Å; L82-L86 HydrophobicContact CD2-CD1 3.86Å; L82-L86 WeakPolarHBondContact O-CA 3.49Å; L82-L86 WeakPolarHBondContact O-CB 3.28Å; L82-L86 PolarHBondContact O-N 3.47Å; L86-C88 VanDerWaalsContact C-N 3.33Å; L86-C88 PolarHBondContact O-N 3.33Å; L86-R89 PolarHBondContact O-N 2.85Å; L86-R89 VanDerWaalsContact O-N 3.11Å; L86-L180 HydrophobicContact CB-CD2 4.2Å; L86-L180 HydrophobicContact CD1-CD2 4.5Å; L86-L180 HydrophobicContact CD2-CD2 4.34Å; L86-F181 HydrophobicContact CD1-CE1 4.08Å; L86-F181 HydrophobicContact CD1-CZ 3.7Å; L86-F181 HydrophobicContact CD2-CE1 3.92Å; L86-F181 HydrophobicContact CD2-CZ 4.4Å; L86-M184 HydrophobicContact CD2-CE 3.56Å; L86-M184 HydrophobicContact CD2-SD 4.02Å
87	F	78.6	Confident	78.2	Confident	13 Å²	13	79.6 Å²	79.6	6%	0.057	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-71.4	-26.8	-167.7	-46.8	-33.1	0	0	0	113.3	W79 L82 D83 R89 L90 V98 F176 L177 L180	W79-F87 AromaticContact CE2-CE2 3.88Å; W79-F87 HydrophobicContact CH2-CE2 4.21Å; W79-F87 HydrophobicContact CH2-CZ 4.41Å; W79-F87 AromaticContact CZ2-CE2 3.74Å; W79-F87 HydrophobicContact CZ2-CE2 3.74Å; W79-F87 HydrophobicContact CZ2-CZ 4.36Å; L82-F87 HydrophobicContact CB-CE2 3.89Å; L82-F87 HydrophobicContact CB-CZ 3.99Å; L82-F87 PolarHBondContact O-N 3.32Å; D83-F87 VanDerWaalsContact CA-CD2 3.47Å; D83-F87 HydrophobicContact CB-CD2 3.94Å; D83-F87 PolarHBondContact O-N 3.17Å; F87-R89 PolarHBondContact O-N 2.91Å; F87-R89 VanDerWaalsContact O-N 3.14Å; F87-L90 HydrophobicContact CB-CD1 4.07Å; F87-L90 HydrophobicContact CD1-CD1 4.07Å; F87-L90 HydrophobicContact CG-CD1 4.46Å; F87-L90 WeakPolarHBondContact O-CB 3.47Å; F87-L90 PolarHBondContact O-N 3.21Å; F87-L90 VanDerWaalsContact O-N 3.11Å; F87-V98 HydrophobicContact CB-CG1 4.13Å; F87-V98 HydrophobicContact CB-CG2 4.1Å; F87-V98 HydrophobicContact CD1-CG2 4.17Å; F87-V98 HydrophobicContact CD2-CG1 3.4Å; F87-V98 VanDerWaalsContact CD2-CG1 3.4Å; F87-V98 HydrophobicContact CD2-CG2 4.24Å; F87-V98 HydrophobicContact CE2-CG1 3.98Å; F87-V98 HydrophobicContact CG-CG1 3.87Å; F87-V98 HydrophobicContact CG-CG2 3.92Å; F87-F176 HydrophobicContact CD1-CE1 4.37Å; F87-F176 AromaticContact CE1-CE1 3.93Å; F87-F176 HydrophobicContact CE1-CE1 3.93Å; F87-L177 HydrophobicContact CE1-CD2 4.09Å; F87-L177 HydrophobicContact CZ-CD2 4.27Å; F87-L180 HydrophobicContact CD1-CD1 3.71Å; F87-L180 HydrophobicContact CE1-CD1 3.84Å
88	C	71.3	Confident	78.2	Confident	82 Å²	82	73.3 Å²	73.3	55%	0.554	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-63.8	-11.8	172.7	70.1	0	0	0	0	114.8	D83 R84 L86	D83-C88 WeakPolarHBondContact O-CB 3.36Å; D83-C88 PolarHBondContact O-N 2.99Å; R84-C88 PolarHBondContact O-SG 3.07Å; L86-C88 VanDerWaalsContact C-N 3.33Å; L86-C88 PolarHBondContact O-N 3.33Å
89	R	67.5	Low	78.2	Confident	193 Å²	193	75.2 Å²	75.2	73%	0.728	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-102.1	-5	176.6	-61.2	179.1	176.6	180	-1.7	113.1	L86 F87	L86-R89 PolarHBondContact O-N 2.85Å; L86-R89 VanDerWaalsContact O-N 3.11Å; F87-R89 PolarHBondContact O-N 2.91Å; F87-R89 VanDerWaalsContact O-N 3.14Å
90	L	70.3	Confident	78.1	Confident	46 Å²	46	80.4 Å²	80.4	24%	0.241	37%	0.372	C	S	.	.	S	Bend	trans	-74.2	152.6	173.3	-65	169.7	0	0	0	110.3	F87 Y94 V98 F176 L180	F87-L90 HydrophobicContact CB-CD1 4.07Å; F87-L90 HydrophobicContact CD1-CD1 4.07Å; F87-L90 HydrophobicContact CG-CD1 4.46Å; F87-L90 WeakPolarHBondContact O-CB 3.47Å; F87-L90 PolarHBondContact O-N 3.21Å; F87-L90 VanDerWaalsContact O-N 3.11Å; L90-Y94 HydrophobicContact CB-CD2 4.36Å; L90-Y94 HydrophobicContact CD2-CD2 4.39Å; L90-Y94 HydrophobicContact CD2-CG 4.49Å; L90-V98 HydrophobicContact CD1-CG2 3.86Å; L90-F176 HydrophobicContact CD1-CZ 4.05Å; L90-L180 HydrophobicContact CD1-CD1 3.89Å; L90-L180 HydrophobicContact CD2-CD1 3.91Å; L90-L180 HydrophobicContact CD2-CG 4.14Å; L90-L180 HydrophobicContact CG-CD1 4.2Å
91	E	69.3	Low	78.3	Confident	132 Å²	132	77.3 Å²	77.3	62%	0.617	36%	0.356	S	S	*	.			trans	-60.6	146.4	164.5	-56.6	-179.6	156.8	0	0	110.4	V93 Y94	E91-V93 HydrophobicContact CB-CB 4.17Å; E91-V93 HydrophobicContact CB-CG2 4.06Å; E91-V93 PolarHBondContact O-N 2.83Å; E91-Y94 HydrophobicContact CB-CD2 4.18Å; E91-Y94 HydrophobicContact CB-CE2 4.33Å; E91-Y94 PolarHBondContact O-N 3.36Å
92	D	71.7	Confident	78.7	Confident	116 Å²	116	76.6 Å²	76.6	62%	0.62	35%	0.352	S	S	*	.	H	α-helix	trans	-55.7	-21.5	-179.6	-81.1	-60.5	0	0	0	113.4	Y94 R95	D92-Y94 VanDerWaalsContact C-N 3.31Å; D92-Y94 PolarHBondContact O-N 3.46Å; D92-R95 WeakPolarHBondContact O-CB 3.46Å; D92-R95 PolarHBondContact O-N 3.27Å; D92-R95 VanDerWaalsContact O-N 3.13Å; D92-R95 VanDerWaalsContact OD1-CD 3.26Å; D92-R95 WeakPolarHBondContact OD1-CD 3.47Å; D92-R95 IonicContact OD1-CZ 2.88Å; D92-R95 IonicContact OD1-NE 3.44Å; D92-R95 IonicContact OD1-NH1 3.08Å; D92-R95 PolarHBondContact OD1-NH1 2.9Å
93	V	67.8	Low	79	Confident	51 Å²	51	76.5 Å²	76.5	31%	0.309	35%	0.352	S	S	.	.	H	α-helix	trans	-40.3	-54.7	165.1	177.8	0	0	0	0	112.1	E91 R95 P443	E91-V93 HydrophobicContact CB-CB 4.17Å; E91-V93 HydrophobicContact CB-CG2 4.06Å; E91-V93 PolarHBondContact O-N 2.83Å; V93-R95 VanDerWaalsContact C-N 3.3Å; V93-R95 PolarHBondContact O-N 3Å; V93-P443 HydrophobicContact CB-CG 4.48Å; V93-P443 HydrophobicContact CG1-CB 4.01Å; V93-P443 HydrophobicContact CG1-CG 4.38Å; V93-P443 HydrophobicContact CG2-CG 4.28Å
94	Y	77.6	Confident	79.4	Confident	106 Å²	106	74.9 Å²	74.9	42%	0.416	35%	0.346	S	S	.	.	H	α-helix	trans	-81.8	-10.2	-172.8	-59.3	-81.9	0	0	0	113.1	L90 E91 D92 S96 T97 V98	L90-Y94 HydrophobicContact CB-CD2 4.36Å; L90-Y94 HydrophobicContact CD2-CD2 4.39Å; L90-Y94 HydrophobicContact CD2-CG 4.49Å; E91-Y94 HydrophobicContact CB-CD2 4.18Å; E91-Y94 HydrophobicContact CB-CE2 4.33Å; E91-Y94 PolarHBondContact O-N 3.36Å; D92-Y94 VanDerWaalsContact C-N 3.31Å; D92-Y94 PolarHBondContact O-N 3.46Å; Y94-S96 PolarHBondContact O-N 3.45Å; Y94-T97 WeakPolarHBondContact O-CA 3.39Å; Y94-T97 WeakPolarHBondContact O-CB 3.35Å; Y94-T97 PolarHBondContact O-N 3.03Å; Y94-V98 WeakPolarHBondContact O-CG2 3.33Å; Y94-V98 PolarHBondContact O-N 2.98Å
95	R	80.4	Confident	79.9	Confident	162 Å²	162	66.3 Å²	66.3	61%	0.611	31%	0.314	S	S	*	.	H	α-helix	trans	-65.4	-26.7	-176.3	-159.9	172.5	-172.3	165.7	2.8	112.9	D92 V93 N99	D92-R95 WeakPolarHBondContact O-CB 3.46Å; D92-R95 PolarHBondContact O-N 3.27Å; D92-R95 VanDerWaalsContact O-N 3.13Å; D92-R95 VanDerWaalsContact OD1-CD 3.26Å; D92-R95 WeakPolarHBondContact OD1-CD 3.47Å; D92-R95 IonicContact OD1-CZ 2.88Å; D92-R95 IonicContact OD1-NE 3.44Å; D92-R95 IonicContact OD1-NH1 3.08Å; D92-R95 PolarHBondContact OD1-NH1 2.9Å; V93-R95 VanDerWaalsContact C-N 3.3Å; V93-R95 PolarHBondContact O-N 3Å; R95-N99 PolarHBondContact O-N 3.21Å; R95-N99 PolarHBondContact O-ND2 2.96Å
96	S	80.9	Confident	80.8	Confident	37 Å²	37	61.9 Å²	61.9	26%	0.259	30%	0.297	S	S	.	.	H	α-helix	trans	-67.8	-47.4	169.1	-171.6	0	0	0	0	111.2	Y94 V98 N99 K100	Y94-S96 PolarHBondContact O-N 3.45Å; S96-V98 PolarHBondContact O-N 3.06Å; S96-N99 PolarHBondContact O-N 3.13Å; S96-N99 VanDerWaalsContact O-N 3.15Å; S96-K100 WeakPolarHBondContact O-CG 3.14Å; S96-K100 PolarHBondContact O-N 3.11Å
97	T	84.8	Confident	81.5	Confident	60 Å²	60	62.8 Å²	62.8	37%	0.368	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-43.3	178.6	-50.1	0	0	0	0	112.1	Y94 N99 K100 L101 F176	Y94-T97 WeakPolarHBondContact O-CA 3.39Å; Y94-T97 WeakPolarHBondContact O-CB 3.35Å; Y94-T97 PolarHBondContact O-N 3.03Å; T97-N99 VanDerWaalsContact C-N 3.32Å; T97-N99 PolarHBondContact O-N 3.5Å; T97-K100 PolarHBondContact O-N 3.38Å; T97-L101 HydrophobicContact CG2-CD1 4.32Å; T97-L101 WeakPolarHBondContact O-CG 3.49Å; T97-L101 PolarHBondContact O-N 3.46Å; T97-F176 HydrophobicContact CG2-CD2 4.08Å; T97-F176 HydrophobicContact CG2-CE2 4.07Å
98	V	86.9	Confident	82.1	Confident	6 Å²	6	63.8 Å²	63.8	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-41.1	173.9	172.5	0	0	0	0	111.5	W79 F87 L90 Y94 S96 L101 R102 F176	W79-V98 HydrophobicContact CZ2-CG1 4.22Å; F87-V98 HydrophobicContact CB-CG1 4.13Å; F87-V98 HydrophobicContact CB-CG2 4.1Å; F87-V98 HydrophobicContact CD1-CG2 4.17Å; F87-V98 HydrophobicContact CD2-CG1 3.4Å; F87-V98 VanDerWaalsContact CD2-CG1 3.4Å; F87-V98 HydrophobicContact CD2-CG2 4.24Å; F87-V98 HydrophobicContact CE2-CG1 3.98Å; F87-V98 HydrophobicContact CG-CG1 3.87Å; F87-V98 HydrophobicContact CG-CG2 3.92Å; L90-V98 HydrophobicContact CD1-CG2 3.86Å; Y94-V98 WeakPolarHBondContact O-CG2 3.33Å; Y94-V98 PolarHBondContact O-N 2.98Å; S96-V98 PolarHBondContact O-N 3.06Å; V98-L101 PolarHBondContact O-N 3.38Å; V98-R102 WeakPolarHBondContact O-CB 3.47Å; V98-R102 PolarHBondContact O-N 2.93Å; V98-F176 HydrophobicContact CG2-CE1 4.08Å; V98-F176 HydrophobicContact CG2-CZ 3.64Å
99	N	86.4	Confident	83	Confident	64 Å²	64	60 Å²	60	34%	0.342	28%	0.277	S	S	.	.	H	α-helix	trans	-68.4	-40.1	175.2	-84.3	-71.4	0	0	0	112.9	R95 S96 T97 L101 R102 T103	R95-N99 PolarHBondContact O-N 3.21Å; R95-N99 PolarHBondContact O-ND2 2.96Å; S96-N99 PolarHBondContact O-N 3.13Å; S96-N99 VanDerWaalsContact O-N 3.15Å; T97-N99 VanDerWaalsContact C-N 3.32Å; T97-N99 PolarHBondContact O-N 3.5Å; N99-L101 PolarHBondContact O-N 3.17Å; N99-R102 WeakPolarHBondContact O-CB 3.43Å; N99-R102 PolarHBondContact O-N 3.41Å; N99-R102 PolarHBondContact OD1-NE 3.03Å; N99-R102 PolarHBondContact OD1-NH2 3.43Å; N99-T103 PolarHBondContact O-N 3.37Å
100	K	87.4	Confident	84	Confident	117 Å²	117	50.8 Å²	50.8	51%	0.509	24%	0.243	S	C	.	.	H	α-helix	trans	-61.7	-42.5	174.4	-71.2	173.3	178	176.8	0	111.6	S96 T97 T103 S104	S96-K100 WeakPolarHBondContact O-CG 3.14Å; S96-K100 PolarHBondContact O-N 3.11Å; T97-K100 PolarHBondContact O-N 3.38Å; K100-T103 PolarHBondContact O-N 2.74Å; K100-S104 WeakPolarHBondContact O-CB 3.42Å; K100-S104 PolarHBondContact O-N 2.86Å; K100-S104 PolarHBondContact O-OG 2.89Å
101	L	90.3	Very high	84.8	Confident	14 Å²	14	48.8 Å²	48.8	7%	0.073	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-39.8	174.3	-71.1	170.6	0	0	0	112.2	W79 T97 V98 N99 S104 L105 F169 L173 F176	W79-L101 HydrophobicContact CH2-CB 3.94Å; W79-L101 HydrophobicContact CZ2-CB 4.36Å; T97-L101 HydrophobicContact CG2-CD1 4.32Å; T97-L101 WeakPolarHBondContact O-CG 3.49Å; T97-L101 PolarHBondContact O-N 3.46Å; V98-L101 PolarHBondContact O-N 3.38Å; N99-L101 PolarHBondContact O-N 3.17Å; L101-S104 PolarHBondContact O-N 3.33Å; L101-L105 WeakPolarHBondContact O-CB 3.3Å; L101-L105 PolarHBondContact O-N 3.18Å; L101-F169 HydrophobicContact CD2-CE2 4.16Å; L101-L173 HydrophobicContact CD1-CD1 4.23Å; L101-L173 HydrophobicContact CD2-CB 4.47Å; L101-L173 HydrophobicContact CD2-CD1 4.4Å; L101-F176 HydrophobicContact CD1-CB 3.94Å; L101-F176 HydrophobicContact CD1-CD1 3.42Å; L101-F176 VanDerWaalsContact CD1-CD1 3.42Å; L101-F176 HydrophobicContact CD1-CD2 4.16Å; L101-F176 HydrophobicContact CD1-CE1 3.94Å; L101-F176 HydrophobicContact CD1-CG 3.55Å
102	R	90.4	Very high	85.7	Confident	46 Å²	46	43.2 Å²	43.2	17%	0.174	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-46.2	173.5	-174.1	172.9	68.6	114.9	-2.6	112.1	W79 V98 N99 L105 Y106 E132	W79-R102 HydrophobicContact CZ2-CB 3.88Å; V98-R102 WeakPolarHBondContact O-CB 3.47Å; V98-R102 PolarHBondContact O-N 2.93Å; N99-R102 WeakPolarHBondContact O-CB 3.43Å; N99-R102 PolarHBondContact O-N 3.41Å; N99-R102 PolarHBondContact OD1-NE 3.03Å; N99-R102 PolarHBondContact OD1-NH2 3.43Å; R102-L105 PolarHBondContact O-N 3.24Å; R102-Y106 HydrophobicContact CG-CE2 4.22Å; R102-Y106 PolarHBondContact O-N 3.22Å; R102-E132 IonicContact CZ-OE1 3.82Å; R102-E132 IonicContact NH1-OE1 3.17Å; R102-E132 PolarHBondContact NH1-OE1 2.87Å; R102-E132 IonicContact NH2-OE1 3.48Å; R102-E132 PolarHBondContact NH2-OE1 2.93Å
103	T	88.7	Confident	86.4	Confident	6 Å²	6	37.7 Å²	37.7	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-46.5	173.8	-75.2	0	0	0	0	111.3	N99 K100 L105 Y106 R107 W139	N99-T103 PolarHBondContact O-N 3.37Å; K100-T103 PolarHBondContact O-N 2.74Å; T103-L105 PolarHBondContact O-N 2.78Å; T103-Y106 PolarHBondContact O-N 3.07Å; T103-R107 HydrophobicContact CG2-CG 4.48Å; T103-R107 WeakPolarHBondContact O-CG 3.21Å; T103-R107 PolarHBondContact O-N 3.06Å; T103-W139 HydrophobicContact CG2-CZ2 3.95Å
104	S	90.1	Very high	87.2	Confident	27 Å²	27	36.4 Å²	36.4	19%	0.189	17%	0.169	C	C	.	.	H	α-helix	trans	-64.4	-36.8	178.3	-66.1	0	0	0	0	113	K100 L101 R107 Y108	K100-S104 WeakPolarHBondContact O-CB 3.42Å; K100-S104 PolarHBondContact O-N 2.86Å; K100-S104 PolarHBondContact O-OG 2.89Å; L101-S104 PolarHBondContact O-N 3.33Å; S104-R107 PolarHBondContact O-N 3.47Å; S104-Y108 WeakPolarHBondContact O-CB 3.49Å; S104-Y108 PolarHBondContact O-N 2.93Å
105	L	91.3	Very high	87.5	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-62.7	-43.4	173.2	-178.9	63.4	0	0	0	112	L63 V67 L75 W79 L101 R102 T103 Y108 Y109 F169	L63-L105 HydrophobicContact CD2-CD2 3.95Å; V67-L105 HydrophobicContact CG2-CD1 4.4Å; L75-L105 HydrophobicContact CD1-CD1 4.35Å; L75-L105 HydrophobicContact CD1-CD2 4.11Å; L75-L105 HydrophobicContact CD1-CG 4.42Å; L75-L105 HydrophobicContact CD2-CG 4.43Å; L75-L105 HydrophobicContact CG-CD2 4.37Å; W79-L105 HydrophobicContact CD2-CD2 4.13Å; W79-L105 HydrophobicContact CE3-CD2 3.36Å; W79-L105 HydrophobicContact CZ3-CD2 3.8Å; L101-L105 WeakPolarHBondContact O-CB 3.3Å; L101-L105 PolarHBondContact O-N 3.18Å; R102-L105 PolarHBondContact O-N 3.24Å; T103-L105 PolarHBondContact O-N 2.78Å; L105-Y108 PolarHBondContact O-N 2.73Å; L105-Y109 PolarHBondContact O-N 3.16Å; L105-F169 HydrophobicContact CB-CZ 3.84Å; L105-F169 HydrophobicContact CD1-CE1 4.2Å; L105-F169 HydrophobicContact CD1-CZ 4.14Å
106	Y	90.6	Very high	87.6	Confident	12 Å²	12	33.7 Å²	33.7	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-38.2	175.8	-71.5	-6.7	0	0	0	112.2	K76 R102 T103 Y109 V110 F125 W139	K76-Y106 HydrophobicContact CG-CE1 4.4Å; R102-Y106 HydrophobicContact CG-CE2 4.22Å; R102-Y106 PolarHBondContact O-N 3.22Å; T103-Y106 PolarHBondContact O-N 3.07Å; Y106-Y109 WeakPolarHBondContact O-CB 3.5Å; Y106-Y109 PolarHBondContact O-N 2.85Å; Y106-V110 WeakPolarHBondContact O-CG2 3.38Å; Y106-V110 PolarHBondContact O-N 3.19Å; Y106-V110 VanDerWaalsContact O-N 3.07Å; Y106-F125 HydrophobicContact CD1-CE2 4.49Å; Y106-F125 HydrophobicContact CD2-CE2 4.38Å; Y106-F125 HydrophobicContact CD2-CZ 4.21Å; Y106-F125 HydrophobicContact CG-CE2 4.07Å; Y106-F125 HydrophobicContact CG-CZ 4.16Å; Y106-W139 HydrophobicContact CD2-CZ2 4.44Å
107	R	89.6	Confident	87.6	Confident	25 Å²	25	34.8 Å²	34.8	9%	0.094	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-47.2	171.5	-72.6	175.8	173.6	156.7	-1.8	110.8	T103 S104 Y109 V110 I111 E138 W139 W142 W165	T103-R107 HydrophobicContact CG2-CG 4.48Å; T103-R107 WeakPolarHBondContact O-CG 3.21Å; T103-R107 PolarHBondContact O-N 3.06Å; S104-R107 PolarHBondContact O-N 3.47Å; R107-Y109 VanDerWaalsContact C-N 3.32Å; R107-Y109 PolarHBondContact O-N 2.89Å; R107-V110 PolarHBondContact O-N 3.25Å; R107-V110 VanDerWaalsContact O-N 3.11Å; R107-I111 HydrophobicContact CB-CD1 4.36Å; R107-I111 WeakPolarHBondContact O-CD1 3.25Å; R107-I111 WeakPolarHBondContact O-CG1 3.36Å; R107-I111 PolarHBondContact O-N 3.49Å; R107-E138 PolarHBondContact NH2-O 2.85Å; R107-W139 HydrophobicContact CG-CH2 3.74Å; R107-W139 HydrophobicContact CG-CZ2 3.99Å; R107-W139 HydrophobicContact CG-CZ3 4.38Å; R107-W142 HydrophobicContact CB-CH2 3.83Å; R107-W142 HydrophobicContact CB-CZ2 4.43Å; R107-W142 HydrophobicContact CB-CZ3 3.95Å; R107-W142 VanDerWaalsContact CD-CZ2 3.46Å; R107-W142 HydrophobicContact CG-CD2 4.24Å; R107-W142 HydrophobicContact CG-CE3 4.06Å; R107-W142 HydrophobicContact CG-CH2 3.64Å; R107-W142 HydrophobicContact CG-CZ2 3.8Å; R107-W142 HydrophobicContact CG-CZ3 3.76Å; R107-W165 HydrophobicContact CB-CH2 4.1Å
108	Y	90.9	Very high	87.5	Confident	34 Å²	34	33.9 Å²	33.9	13%	0.133	18%	0.175	C	C	.	.	H	α-helix	trans	-58.2	-40.2	176.5	178.3	-116.9	0	0	0	112.6	V67 S104 L105 N112 W165 A166 F169	V67-Y108 HydrophobicContact CB-CE1 4.26Å; V67-Y108 HydrophobicContact CG1-CD1 4.01Å; V67-Y108 HydrophobicContact CG1-CE1 3.81Å; V67-Y108 HydrophobicContact CG2-CD1 4.12Å; V67-Y108 HydrophobicContact CG2-CE1 4.27Å; S104-Y108 WeakPolarHBondContact O-CB 3.49Å; S104-Y108 PolarHBondContact O-N 2.93Å; L105-Y108 PolarHBondContact O-N 2.73Å; Y108-N112 WeakPolarHBondContact O-CB 3.47Å; Y108-N112 PolarHBondContact O-N 3.18Å; Y108-W165 HydrophobicContact CD2-CZ3 4.19Å; Y108-A166 HydrophobicContact CD2-CB 4.23Å; Y108-A166 HydrophobicContact CE2-CB 3.91Å; Y108-F169 HydrophobicContact CD1-CD1 4.5Å; Y108-F169 HydrophobicContact CD1-CE1 4.17Å; Y108-F169 HydrophobicContact CG-CD1 4.21Å; Y108-F169 HydrophobicContact CG-CE1 4.22Å
109	Y	90.6	Very high	87.2	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-51	171.3	178.6	-85	0	0	0	112.2	V67 F70 L72 L75 L105 Y106 R107 I111 N112 T113 F125	V67-Y109 HydrophobicContact CG2-CD2 4.23Å; F70-Y109 PolarHBondContact O-OH 3.19Å; F70-Y109 VanDerWaalsContact O-OH 3.11Å; L72-Y109 HydrophobicContact CB-CE1 4.47Å; L72-Y109 HydrophobicContact CB-CE2 4.29Å; L72-Y109 HydrophobicContact CD1-CE1 4.39Å; L75-Y109 HydrophobicContact CD2-CD2 3.77Å; L75-Y109 HydrophobicContact CD2-CG 4.23Å; L105-Y109 PolarHBondContact O-N 3.16Å; Y106-Y109 WeakPolarHBondContact O-CB 3.5Å; Y106-Y109 PolarHBondContact O-N 2.85Å; R107-Y109 VanDerWaalsContact C-N 3.32Å; R107-Y109 PolarHBondContact O-N 2.89Å; Y109-I111 VanDerWaalsContact C-N 3.35Å; Y109-I111 PolarHBondContact O-N 3.41Å; Y109-N112 PolarHBondContact O-N 3.45Å; Y109-T113 HydrophobicContact CD1-CG2 4.3Å; Y109-T113 HydrophobicContact CE1-CG2 3.8Å; Y109-T113 PolarHBondContact O-N 3.38Å; Y109-T113 PolarHBondContact O-OG1 3.17Å; Y109-F125 HydrophobicContact CD1-CD2 4.01Å; Y109-F125 HydrophobicContact CE1-CB 4.3Å; Y109-F125 HydrophobicContact CE1-CD2 4.22Å
110	V	88.4	Confident	87	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-35.7	-179.3	164.4	0	0	0	0	112.6	Y106 R107 T113 I114 T122 F125 F126 W142 L145	Y106-V110 WeakPolarHBondContact O-CG2 3.38Å; Y106-V110 PolarHBondContact O-N 3.19Å; Y106-V110 VanDerWaalsContact O-N 3.07Å; R107-V110 PolarHBondContact O-N 3.25Å; R107-V110 VanDerWaalsContact O-N 3.11Å; V110-T113 WeakPolarHBondContact CA-OG1 3.42Å; V110-T113 PolarHBondContact O-OG1 3.11Å; V110-I114 HydrophobicContact CG1-CD1 4.21Å; V110-I114 WeakPolarHBondContact O-CG1 3.48Å; V110-I114 PolarHBondContact O-N 3.03Å; V110-T122 HydrophobicContact CG1-CG2 4.19Å; V110-F125 HydrophobicContact CG2-CB 4.46Å; V110-F125 HydrophobicContact CG2-CD1 3.51Å; V110-F125 HydrophobicContact CG2-CD2 4.18Å; V110-F125 HydrophobicContact CG2-CE1 3.74Å; V110-F125 HydrophobicContact CG2-CE2 4.37Å; V110-F125 HydrophobicContact CG2-CG 3.78Å; V110-F125 HydrophobicContact CG2-CZ 4.18Å; V110-F126 HydrophobicContact CG1-CE2 4.2Å; V110-F126 HydrophobicContact CG1-CZ 4.35Å; V110-F126 HydrophobicContact CG2-CE2 4.49Å; V110-W142 HydrophobicContact CG1-CE3 4.44Å; V110-W142 HydrophobicContact CG1-CZ3 4.46Å; V110-L145 HydrophobicContact CG1-CD2 3.63Å
111	I	87.6	Confident	86.9	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-68.8	-46.1	175.9	-65.4	152.2	0	0	0	110.1	R107 Y109 T113 I114 Q115 W142 F161 W165	R107-I111 HydrophobicContact CB-CD1 4.36Å; R107-I111 WeakPolarHBondContact O-CD1 3.25Å; R107-I111 WeakPolarHBondContact O-CG1 3.36Å; R107-I111 PolarHBondContact O-N 3.49Å; Y109-I111 VanDerWaalsContact C-N 3.35Å; Y109-I111 PolarHBondContact O-N 3.41Å; I111-T113 PolarHBondContact O-N 3.13Å; I111-I114 PolarHBondContact O-N 3.07Å; I111-Q115 HydrophobicContact CG2-CG 4.24Å; I111-Q115 WeakPolarHBondContact O-CB 3.38Å; I111-Q115 WeakPolarHBondContact O-CG 3.22Å; I111-Q115 PolarHBondContact O-N 3.46Å; I111-W142 HydrophobicContact CD1-CH2 4.2Å; I111-W142 HydrophobicContact CD1-CZ3 4.46Å; I111-W142 HydrophobicContact CG1-CH2 4.47Å; I111-W142 HydrophobicContact CG1-CZ3 4.34Å; I111-F161 HydrophobicContact CG2-CD1 3.81Å; I111-F161 HydrophobicContact CG2-CE1 4.01Å; I111-F161 HydrophobicContact CG2-CG 4.34Å; I111-W165 HydrophobicContact CD1-CE3 4Å; I111-W165 HydrophobicContact CD1-CH2 3.87Å; I111-W165 HydrophobicContact CD1-CZ3 3.39Å
112	N	86.9	Confident	86.6	Confident	15 Å²	15	39.2 Å²	39.2	8%	0.08	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-29.1	178.4	162.4	85.7	0	0	0	113.3	V67 F70 Y108 Y109 K116	V67-N112 HydrophobicContact CG1-CB 3.94Å; V67-N112 WeakPolarHBondContact CG1-ND2 3.46Å; V67-N112 PolarHBondContact O-ND2 3.46Å; F70-N112 WeakPolarHBondContact CE1-ND2 3.46Å; Y108-N112 WeakPolarHBondContact O-CB 3.47Å; Y108-N112 PolarHBondContact O-N 3.18Å; Y109-N112 PolarHBondContact O-N 3.45Å; N112-K116 WeakPolarHBondContact O-CB 3.46Å; N112-K116 WeakPolarHBondContact O-CG 3.33Å; N112-K116 PolarHBondContact O-N 2.93Å; N112-K116 VanDerWaalsContact OD1-CE 3.23Å; N112-K116 WeakPolarHBondContact OD1-CE 3.2Å; N112-K116 PolarHBondContact OD1-NZ 2.93Å
113	T	86.5	Confident	86.3	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67	-41.5	169.8	50.8	0	0	0	0	111.6	F70 Y109 V110 I111 G117 N118 K121 T122	F70-T113 HydrophobicContact CD1-CG2 3.55Å; F70-T113 HydrophobicContact CE1-CG2 3.93Å; F70-T113 HydrophobicContact CG-CG2 4.47Å; Y109-T113 HydrophobicContact CD1-CG2 4.3Å; Y109-T113 HydrophobicContact CE1-CG2 3.8Å; Y109-T113 PolarHBondContact O-N 3.38Å; Y109-T113 PolarHBondContact O-OG1 3.17Å; V110-T113 WeakPolarHBondContact CA-OG1 3.42Å; V110-T113 PolarHBondContact O-OG1 3.11Å; I111-T113 PolarHBondContact O-N 3.13Å; T113-G117 PolarHBondContact O-N 3.44Å; T113-N118 WeakPolarHBondContact O-CA 3.41Å; T113-N118 PolarHBondContact O-N 3.38Å; T113-K121 HydrophobicContact CG2-CB 3.76Å; T113-T122 VanDerWaalsContact CB-OG1 3.3Å; T113-T122 WeakPolarHBondContact CB-OG1 3.24Å; T113-T122 PolarHBondContact OG1-OG1 3.2Å
114	I	84.8	Confident	86.1	Confident	25 Å²	25	44.1 Å²	44.1	13%	0.128	23%	0.225	C	C	.	.	H	α-helix	trans	-69.6	-47.5	178.3	-67.8	168.3	0	0	0	111.8	V110 I111 K116 G117 T122 L145 P151 F161	V110-I114 HydrophobicContact CG1-CD1 4.21Å; V110-I114 WeakPolarHBondContact O-CG1 3.48Å; V110-I114 PolarHBondContact O-N 3.03Å; I111-I114 PolarHBondContact O-N 3.07Å; I114-K116 PolarHBondContact O-N 2.68Å; I114-K116 VanDerWaalsContact O-N 3.17Å; I114-G117 PolarHBondContact O-N 3.42Å; I114-T122 HydrophobicContact CD1-CG2 4.04Å; I114-T122 HydrophobicContact CG1-CG2 3.98Å; I114-L145 HydrophobicContact CD1-CD2 3.46Å; I114-L145 VanDerWaalsContact CD1-CD2 3.46Å; I114-L145 HydrophobicContact CD1-CG 3.72Å; I114-P151 HydrophobicContact CG2-CG 3.84Å; I114-F161 HydrophobicContact CB-CE1 4.17Å; I114-F161 HydrophobicContact CB-CZ 4.47Å; I114-F161 HydrophobicContact CD1-CZ 4.33Å; I114-F161 HydrophobicContact CG2-CE1 3.76Å; I114-F161 HydrophobicContact CG2-CZ 4.03Å
115	Q	84.2	Confident	86	Confident	101 Å²	101	42.9 Å²	42.9	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-61.5	-24.8	179.2	-75	-177.6	-33.4	0	0	113.4	I111 F161	I111-Q115 HydrophobicContact CG2-CG 4.24Å; I111-Q115 WeakPolarHBondContact O-CB 3.38Å; I111-Q115 WeakPolarHBondContact O-CG 3.22Å; I111-Q115 PolarHBondContact O-N 3.46Å; Q115-F161 HydrophobicContact CG-CD1 3.78Å; Q115-F161 HydrophobicContact CG-CE1 4.12Å; Q115-F161 PolarHBondContact NE2-O 2.77Å; Q115-F161 VanDerWaalsContact NE2-O 3.07Å
116	K	83.6	Confident	85.7	Confident	110 Å²	110	43.3 Å²	43.3	48%	0.478	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	12.5	173.4	-66.7	-178.5	174.6	178.2	0	113.6	F70 N112 I114 N118	F70-K116 HydrophobicContact CE1-CB 4.36Å; F70-K116 HydrophobicContact CE1-CD 3.97Å; F70-K116 HydrophobicContact CZ-CB 3.82Å; F70-K116 HydrophobicContact CZ-CD 3.54Å; F70-K116 HydrophobicContact CZ-CG 4.32Å; N112-K116 WeakPolarHBondContact O-CB 3.46Å; N112-K116 WeakPolarHBondContact O-CG 3.33Å; N112-K116 PolarHBondContact O-N 2.93Å; N112-K116 VanDerWaalsContact OD1-CE 3.23Å; N112-K116 WeakPolarHBondContact OD1-CE 3.2Å; N112-K116 PolarHBondContact OD1-NZ 2.93Å; I114-K116 PolarHBondContact O-N 2.68Å; I114-K116 VanDerWaalsContact O-N 3.17Å; K116-N118 PolarHBondContact O-N 3.32Å
117	G	80.1	Confident	85.5	Confident	59 Å²	59	50.5 Å²	50.5	61%	0.608	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	8	176.7	0	0	0	0	0	115.7	T113 I114 L119	T113-G117 PolarHBondContact O-N 3.44Å; I114-G117 PolarHBondContact O-N 3.42Å; G117-L119 PolarHBondContact O-N 3.48Å; G117-L119 VanDerWaalsContact O-N 3.12Å
118	N	82.5	Confident	85.2	Confident	42 Å²	42	55.5 Å²	55.5	23%	0.225	27%	0.274	C	S	.	.			trans	-90.2	72.9	-174.4	-162.3	-28.4	0	0	0	111.6	F70 T113 K116 E120 K121 T122	F70-N118 HydrophobicContact CZ-CB 4.31Å; T113-N118 WeakPolarHBondContact O-CA 3.41Å; T113-N118 PolarHBondContact O-N 3.38Å; K116-N118 PolarHBondContact O-N 3.32Å; N118-E120 VanDerWaalsContact C-N 3.31Å; N118-E120 PolarHBondContact O-N 2.79Å; N118-K121 WeakPolarHBondContact ND2-CG 3.48Å; N118-K121 PolarHBondContact O-N 3.26Å; N118-K121 WeakPolarHBondContact OD1-CB 3.42Å; N118-K121 VanDerWaalsContact OD1-CG 3.32Å; N118-K121 WeakPolarHBondContact OD1-CG 3.37Å; N118-K121 PolarHBondContact OD1-N 3.45Å; N118-K121 VanDerWaalsContact OD1-N 3.11Å; N118-T122 PolarHBondContact O-N 2.78Å; N118-T122 PolarHBondContact O-OG1 2.9Å
119	L	80.5	Confident	84.8	Confident	89 Å²	89	54.4 Å²	54.4	47%	0.466	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-32	179.2	-72.8	166.3	0	0	0	112.7	G117 K121 T122 Q123	G117-L119 PolarHBondContact O-N 3.48Å; G117-L119 VanDerWaalsContact O-N 3.12Å; L119-K121 PolarHBondContact O-N 2.87Å; L119-T122 WeakPolarHBondContact O-CA 3.29Å; L119-T122 VanDerWaalsContact O-CB 3.28Å; L119-T122 WeakPolarHBondContact O-CB 3.29Å; L119-T122 PolarHBondContact O-N 2.93Å; L119-T122 VanDerWaalsContact O-N 3.1Å; L119-Q123 PolarHBondContact O-N 2.86Å
120	E	83.3	Confident	84.2	Confident	158 Å²	158	55.5 Å²	55.5	74%	0.738	28%	0.28	S	S	*	.	H	α-helix	trans	-59.1	-48.7	176.6	-63.2	-176.6	174.8	0	0	111.8	N118 T122 Q123 E124	N118-E120 VanDerWaalsContact C-N 3.31Å; N118-E120 PolarHBondContact O-N 2.79Å; E120-T122 PolarHBondContact O-N 3.03Å; E120-Q123 PolarHBondContact O-N 2.72Å; E120-E124 WeakPolarHBondContact O-CB 3.4Å; E120-E124 PolarHBondContact O-N 3.2Å
121	K	84.6	Confident	83.7	Confident	66 Å²	66	63.7 Å²	63.7	29%	0.287	32%	0.322	S	S	.	.	H	α-helix	trans	-63.8	-26.8	175.9	-73.2	-73.6	160	-166	0	113.1	F70 T113 N118 L119 E124 F125	F70-K121 HydrophobicContact CB-CD 4.11Å; F70-K121 HydrophobicContact CB-CG 4.11Å; T113-K121 HydrophobicContact CG2-CB 3.76Å; N118-K121 WeakPolarHBondContact ND2-CG 3.48Å; N118-K121 PolarHBondContact O-N 3.26Å; N118-K121 WeakPolarHBondContact OD1-CB 3.42Å; N118-K121 VanDerWaalsContact OD1-CG 3.32Å; N118-K121 WeakPolarHBondContact OD1-CG 3.37Å; N118-K121 PolarHBondContact OD1-N 3.45Å; N118-K121 VanDerWaalsContact OD1-N 3.11Å; L119-K121 PolarHBondContact O-N 2.87Å; K121-E124 WeakPolarHBondContact CD-OE2 3.24Å; K121-E124 WeakPolarHBondContact CE-OE2 3.43Å; K121-E124 IonicContact NZ-OE1 3.34Å; K121-E124 IonicContact NZ-OE2 3.66Å; K121-E124 PolarHBondContact NZ-OE2 3.28Å; K121-F125 PolarHBondContact O-N 2.95Å; K121-F125 VanDerWaalsContact O-N 3.09Å
122	T	83.6	Confident	83.2	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-72.5	-44.4	175.3	-48.9	0	0	0	0	110.8	V110 T113 I114 N118 L119 E120 F125 F126 P146	V110-T122 HydrophobicContact CG1-CG2 4.19Å; T113-T122 VanDerWaalsContact CB-OG1 3.3Å; T113-T122 WeakPolarHBondContact CB-OG1 3.24Å; T113-T122 PolarHBondContact OG1-OG1 3.2Å; I114-T122 HydrophobicContact CD1-CG2 4.04Å; I114-T122 HydrophobicContact CG1-CG2 3.98Å; N118-T122 PolarHBondContact O-N 2.78Å; N118-T122 PolarHBondContact O-OG1 2.9Å; L119-T122 WeakPolarHBondContact O-CA 3.29Å; L119-T122 VanDerWaalsContact O-CB 3.28Å; L119-T122 WeakPolarHBondContact O-CB 3.29Å; L119-T122 PolarHBondContact O-N 2.93Å; L119-T122 VanDerWaalsContact O-N 3.1Å; E120-T122 PolarHBondContact O-N 3.03Å; T122-F125 WeakPolarHBondContact O-CB 3.01Å; T122-F125 PolarHBondContact O-N 3.38Å; T122-F126 HydrophobicContact CG2-CD2 4.36Å; T122-F126 HydrophobicContact CG2-CE2 4.11Å; T122-F126 VanDerWaalsContact O-CD2 3.28Å; T122-F126 WeakPolarHBondContact O-CD2 3.44Å; T122-F126 PolarHBondContact O-N 3.01Å; T122-P146 HydrophobicContact CG2-CG 4.2Å
123	Q	83.2	Confident	82.9	Confident	105 Å²	105	66.9 Å²	66.9	49%	0.491	34%	0.337	S	S	.	.	H	α-helix	trans	-66.3	-40.6	174.4	-67.2	177.8	6.9	0	0	111.7	L119 E120 F125 F126 Q127 P146	L119-Q123 PolarHBondContact O-N 2.86Å; E120-Q123 PolarHBondContact O-N 2.72Å; Q123-F125 VanDerWaalsContact C-N 3.3Å; Q123-F125 PolarHBondContact O-N 3.16Å; Q123-F126 PolarHBondContact O-N 2.97Å; Q123-Q127 WeakPolarHBondContact O-CB 3.31Å; Q123-Q127 PolarHBondContact O-N 3.09Å; Q123-P146 HydrophobicContact CG-CB 4.34Å
124	E	86.1	Confident	82.3	Confident	50 Å²	50	74 Å²	74	23%	0.234	37%	0.37	C	S	.	.	H	α-helix	trans	-59	-40	174.4	-169.9	-169.4	161.9	0	0	111.9	E120 K121 K128	E120-E124 WeakPolarHBondContact O-CB 3.4Å; E120-E124 PolarHBondContact O-N 3.2Å; K121-E124 WeakPolarHBondContact CD-OE2 3.24Å; K121-E124 WeakPolarHBondContact CE-OE2 3.43Å; K121-E124 IonicContact NZ-OE1 3.34Å; K121-E124 IonicContact NZ-OE2 3.66Å; K121-E124 PolarHBondContact NZ-OE2 3.28Å; E124-K128 HydrophobicContact CG-CD 4Å; E124-K128 HydrophobicContact CG-CG 4.5Å; E124-K128 WeakPolarHBondContact O-CB 3.18Å; E124-K128 WeakPolarHBondContact O-CG 3.14Å; E124-K128 PolarHBondContact O-N 2.88Å; E124-K128 WeakPolarHBondContact OE1-CE 3.4Å; E124-K128 IonicContact OE1-NZ 3.32Å; E124-K128 PolarHBondContact OE1-NZ 2.88Å
125	F	87.5	Confident	81.6	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-58	-57.1	173.6	173.6	-86.8	0	0	0	111.1	L72 Y106 Y109 V110 K121 T122 Q123 Q127 K128 Q129 L133 W139	L72-F125 HydrophobicContact CD1-CD2 3.63Å; L72-F125 HydrophobicContact CD1-CE2 3.98Å; L72-F125 HydrophobicContact CD2-CB 4.03Å; L72-F125 HydrophobicContact CD2-CD2 3.68Å; L72-F125 HydrophobicContact CD2-CG 4.27Å; L72-F125 HydrophobicContact CG-CD2 4.32Å; Y106-F125 HydrophobicContact CD1-CE2 4.49Å; Y106-F125 HydrophobicContact CD2-CE2 4.38Å; Y106-F125 HydrophobicContact CD2-CZ 4.21Å; Y106-F125 HydrophobicContact CG-CE2 4.07Å; Y106-F125 HydrophobicContact CG-CZ 4.16Å; Y109-F125 HydrophobicContact CD1-CD2 4.01Å; Y109-F125 HydrophobicContact CE1-CB 4.3Å; Y109-F125 HydrophobicContact CE1-CD2 4.22Å; V110-F125 HydrophobicContact CG2-CB 4.46Å; V110-F125 HydrophobicContact CG2-CD1 3.51Å; V110-F125 HydrophobicContact CG2-CD2 4.18Å; V110-F125 HydrophobicContact CG2-CE1 3.74Å; V110-F125 HydrophobicContact CG2-CE2 4.37Å; V110-F125 HydrophobicContact CG2-CG 3.78Å; V110-F125 HydrophobicContact CG2-CZ 4.18Å; K121-F125 PolarHBondContact O-N 2.95Å; K121-F125 VanDerWaalsContact O-N 3.09Å; T122-F125 WeakPolarHBondContact O-CB 3.01Å; T122-F125 PolarHBondContact O-N 3.38Å; Q123-F125 VanDerWaalsContact C-N 3.3Å; Q123-F125 PolarHBondContact O-N 3.16Å; F125-Q127 PolarHBondContact O-N 2.91Å; F125-K128 PolarHBondContact O-N 2.96Å; F125-Q129 HydrophobicContact CE1-CB 4.47Å; F125-Q129 HydrophobicContact CE2-CG 4.39Å; F125-Q129 HydrophobicContact CZ-CB 4.41Å; F125-Q129 HydrophobicContact CZ-CG 4.07Å; F125-Q129 WeakPolarHBondContact O-CB 3.31Å; F125-Q129 PolarHBondContact O-N 2.9Å; F125-L133 HydrophobicContact CE1-CD1 3.88Å; F125-L133 HydrophobicContact CZ-CD1 4.03Å; F125-W139 HydrophobicContact CE1-CH2 4.15Å; F125-W139 AromaticContact CE1-CZ3 3.89Å; F125-W139 HydrophobicContact CE1-CZ3 3.89Å; F125-W139 AromaticContact CZ-CH2 3.99Å; F125-W139 HydrophobicContact CZ-CH2 3.99Å; F125-W139 HydrophobicContact CZ-CZ3 4.2Å
126	F	85.9	Confident	81.4	Confident	13 Å²	13	74.3 Å²	74.3	6%	0.057	39%	0.392	C	S	.	.	H	α-helix	trans	-64.2	-40	-177.1	-74.8	-70.9	0	0	0	111.7	V110 T122 Q123 K128 Q129 A130 W139 W142 F143 P146	V110-F126 HydrophobicContact CG1-CE2 4.2Å; V110-F126 HydrophobicContact CG1-CZ 4.35Å; V110-F126 HydrophobicContact CG2-CE2 4.49Å; T122-F126 HydrophobicContact CG2-CD2 4.36Å; T122-F126 HydrophobicContact CG2-CE2 4.11Å; T122-F126 VanDerWaalsContact O-CD2 3.28Å; T122-F126 WeakPolarHBondContact O-CD2 3.44Å; T122-F126 PolarHBondContact O-N 3.01Å; Q123-F126 PolarHBondContact O-N 2.97Å; F126-K128 PolarHBondContact O-N 2.8Å; F126-Q129 PolarHBondContact O-N 2.95Å; F126-A130 WeakPolarHBondContact O-CA 3.47Å; F126-A130 VanDerWaalsContact O-CB 3.23Å; F126-A130 WeakPolarHBondContact O-CB 2.95Å; F126-A130 PolarHBondContact O-N 2.77Å; F126-W139 HydrophobicContact CE1-CE3 4.14Å; F126-W139 HydrophobicContact CE1-CZ3 4.19Å; F126-W139 HydrophobicContact CZ-CZ3 4.43Å; F126-W142 HydrophobicContact CE1-CB 4.32Å; F126-W142 HydrophobicContact CZ-CB 4.26Å; F126-W142 WeakPolarHBondContact CZ-O 3.48Å; F126-F143 HydrophobicContact CB-CD1 4.49Å; F126-F143 AromaticContact CD1-CD1 3.62Å; F126-F143 HydrophobicContact CD1-CD1 3.62Å; F126-F143 AromaticContact CD1-CE1 3.78Å; F126-F143 HydrophobicContact CD1-CE1 3.78Å; F126-F143 HydrophobicContact CD1-CG 4.32Å; F126-F143 HydrophobicContact CE1-CD1 4.24Å; F126-F143 HydrophobicContact CG-CD1 4.33Å; F126-P146 HydrophobicContact CD2-CG 3.57Å; F126-P146 HydrophobicContact CE2-CG 3.67Å
127	Q	84.9	Confident	81.1	Confident	162 Å²	162	73.3 Å²	73.3	76%	0.757	40%	0.404	S	S	*	.	H	α-helix	trans	-61.6	-44.3	177.1	-168.9	-175.8	37.6	0	0	112.5	Q123 F125 Q129	Q123-Q127 WeakPolarHBondContact O-CB 3.31Å; Q123-Q127 PolarHBondContact O-N 3.09Å; F125-Q127 PolarHBondContact O-N 2.91Å; Q127-Q129 VanDerWaalsContact C-N 3.32Å; Q127-Q129 PolarHBondContact O-N 3.37Å
128	K	84.6	Confident	81.2	Confident	131 Å²	131	74.9 Å²	74.9	57%	0.57	40%	0.395	S	S	*	.	H	α-helix	trans	-77.3	-14.6	179.9	-71.5	-177.7	176.4	177.7	0	114.2	E124 F125 F126	E124-K128 HydrophobicContact CG-CD 4Å; E124-K128 HydrophobicContact CG-CG 4.5Å; E124-K128 WeakPolarHBondContact O-CB 3.18Å; E124-K128 WeakPolarHBondContact O-CG 3.14Å; E124-K128 PolarHBondContact O-N 2.88Å; E124-K128 WeakPolarHBondContact OE1-CE 3.4Å; E124-K128 IonicContact OE1-NZ 3.32Å; E124-K128 PolarHBondContact OE1-NZ 2.88Å; F125-K128 PolarHBondContact O-N 2.96Å; F126-K128 PolarHBondContact O-N 2.8Å
129	Q	82.6	Confident	81.3	Confident	10 Å²	10	72.9 Å²	72.9	5%	0.047	39%	0.385	C	S	.	.	H	α-helix	trans	-122.7	-7.9	-169.2	-161.2	54.2	29	0	0	113.4	K76 F125 F126 Q127 L131 E132 L133	K76-Q129 VanDerWaalsContact CE-OE1 3.29Å; F125-Q129 HydrophobicContact CE1-CB 4.47Å; F125-Q129 HydrophobicContact CE2-CG 4.39Å; F125-Q129 HydrophobicContact CZ-CB 4.41Å; F125-Q129 HydrophobicContact CZ-CG 4.07Å; F125-Q129 WeakPolarHBondContact O-CB 3.31Å; F125-Q129 PolarHBondContact O-N 2.9Å; F126-Q129 PolarHBondContact O-N 2.95Å; Q127-Q129 VanDerWaalsContact C-N 3.32Å; Q127-Q129 PolarHBondContact O-N 3.37Å; Q129-L131 VanDerWaalsContact C-N 3.34Å; Q129-L131 PolarHBondContact O-N 3.46Å; Q129-E132 VanDerWaalsContact NE2-CD 3.34Å; Q129-E132 PolarHBondContact NE2-OE2 3.26Å; Q129-E132 PolarHBondContact O-N 2.96Å; Q129-E132 VanDerWaalsContact O-N 3.11Å; Q129-L133 HydrophobicContact CB-CD1 4.11Å; Q129-L133 HydrophobicContact CG-CD1 3.53Å; Q129-L133 HydrophobicContact CG-CD2 4.37Å; Q129-L133 HydrophobicContact CG-CG 3.77Å; Q129-L133 WeakPolarHBondContact O-CG 3.39Å; Q129-L133 PolarHBondContact O-N 3.25Å
130	A	77.1	Confident	81.3	Confident	26 Å²	26	77.9 Å²	77.9	22%	0.215	40%	0.398	C	S	.	.	H	α-helix	trans	-50.3	-47	-179	0	0	0	0	0	113.8	F126 E132 L133 Q134 F143	F126-A130 WeakPolarHBondContact O-CA 3.47Å; F126-A130 VanDerWaalsContact O-CB 3.23Å; F126-A130 WeakPolarHBondContact O-CB 2.95Å; F126-A130 PolarHBondContact O-N 2.77Å; A130-E132 PolarHBondContact O-N 2.8Å; A130-L133 PolarHBondContact O-N 2.87Å; A130-L133 VanDerWaalsContact O-N 3.17Å; A130-Q134 VanDerWaalsContact O-CB 3.24Å; A130-Q134 WeakPolarHBondContact O-CB 3.5Å; A130-Q134 PolarHBondContact O-N 2.83Å; A130-F143 HydrophobicContact CB-CE1 4.05Å; A130-F143 HydrophobicContact CB-CZ 4.47Å
131	L	77	Confident	81.1	Confident	171 Å²	171	74.7 Å²	74.7	90%	0.895	39%	0.386	S	S	*	.	H	α-helix	trans	-62.5	-24.7	-176.8	-65.7	175.1	0	0	0	113.8	Q129	Q129-L131 VanDerWaalsContact C-N 3.34Å; Q129-L131 PolarHBondContact O-N 3.46Å
132	E	77.8	Confident	81	Confident	85 Å²	85	72 Å²	72	40%	0.397	37%	0.374	S	S	.	.	H	α-helix	trans	-92.1	-29.7	176.2	-159.2	-168.3	144.9	0	0	112.3	R102 Q129 A130 Q136	R102-E132 IonicContact CZ-OE1 3.82Å; R102-E132 IonicContact NH1-OE1 3.17Å; R102-E132 PolarHBondContact NH1-OE1 2.87Å; R102-E132 IonicContact NH2-OE1 3.48Å; R102-E132 PolarHBondContact NH2-OE1 2.93Å; Q129-E132 VanDerWaalsContact NE2-CD 3.34Å; Q129-E132 PolarHBondContact NE2-OE2 3.26Å; Q129-E132 PolarHBondContact O-N 2.96Å; Q129-E132 VanDerWaalsContact O-N 3.11Å; A130-E132 PolarHBondContact O-N 2.8Å; E132-Q136 PolarHBondContact O-NE2 3.02Å
133	L	80.6	Confident	81	Confident	2 Å²	2	74.7 Å²	74.7	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-94.1	-25	-174	-59.1	179.1	0	0	0	114.1	F125 Q129 A130 G135 Q136 W139 F143	F125-L133 HydrophobicContact CE1-CD1 3.88Å; F125-L133 HydrophobicContact CZ-CD1 4.03Å; Q129-L133 HydrophobicContact CB-CD1 4.11Å; Q129-L133 HydrophobicContact CG-CD1 3.53Å; Q129-L133 HydrophobicContact CG-CD2 4.37Å; Q129-L133 HydrophobicContact CG-CG 3.77Å; Q129-L133 WeakPolarHBondContact O-CG 3.39Å; Q129-L133 PolarHBondContact O-N 3.25Å; A130-L133 PolarHBondContact O-N 2.87Å; A130-L133 VanDerWaalsContact O-N 3.17Å; L133-G135 PolarHBondContact O-N 2.93Å; L133-Q136 PolarHBondContact O-N 2.79Å; L133-W139 HydrophobicContact CB-CB 3.97Å; L133-W139 HydrophobicContact CB-CD2 4.49Å; L133-W139 HydrophobicContact CB-CG 4.03Å; L133-W139 HydrophobicContact CD1-CD2 3.77Å; L133-W139 HydrophobicContact CD1-CE3 3.8Å; L133-W139 HydrophobicContact CD1-CG 4.18Å; L133-W139 HydrophobicContact CD1-CZ3 4.2Å; L133-W139 HydrophobicContact CD2-CD2 4.05Å; L133-W139 HydrophobicContact CD2-CG 3.94Å; L133-W139 HydrophobicContact CG-CD2 4.3Å; L133-W139 HydrophobicContact CG-CG 4.24Å; L133-F143 HydrophobicContact CB-CE2 4.34Å; L133-F143 HydrophobicContact CB-CZ 3.96Å
134	Q	73	Confident	80.9	Confident	150 Å²	150	74.3 Å²	74.3	70%	0.701	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.8	-179.1	-172.1	175.9	10.1	0	0	112.6	A130 Q136	A130-Q134 VanDerWaalsContact O-CB 3.24Å; A130-Q134 WeakPolarHBondContact O-CB 3.5Å; A130-Q134 PolarHBondContact O-N 2.83Å; Q134-Q136 VanDerWaalsContact C-N 3.34Å
135	G	71.1	Confident	80.6	Confident	77 Å²	77	72 Å²	72	79%	0.794	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-4.5	172	0	0	0	0	0	115.1	L133	L133-G135 PolarHBondContact O-N 2.93Å
136	Q	80.8	Confident	80.1	Confident	54 Å²	54	72.8 Å²	72.8	25%	0.252	38%	0.38	S	S	.	.			trans	-107.7	117.7	-176.9	-59.9	-175.1	24.1	0	0	110.8	E132 L133 Q134 E138 W139	E132-Q136 PolarHBondContact O-NE2 3.02Å; L133-Q136 PolarHBondContact O-N 2.79Å; Q134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-E138 PolarHBondContact O-N 2.87Å; Q136-E138 VanDerWaalsContact O-N 3.16Å; Q136-W139 PolarHBondContact O-N 3.04Å
137	A	76.7	Confident	79.8	Confident	90 Å²	90	79.7 Å²	79.7	74%	0.744	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-55.6	-35.5	179.3	0	0	0	0	0	112.8	W139 R140	A137-W139 PolarHBondContact O-N 3.23Å; A137-R140 WeakPolarHBondContact O-CB 3.46Å; A137-R140 PolarHBondContact O-N 3.35Å
138	E	80.9	Confident	79.5	Confident	91 Å²	91	73.8 Å²	73.8	43%	0.425	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-58.7	-17.8	178	-65	-172.7	-171.2	0	0	115	R107 Q136	R107-E138 PolarHBondContact NH2-O 2.85Å; Q136-E138 PolarHBondContact O-N 2.87Å; Q136-E138 VanDerWaalsContact O-N 3.16Å
139	W	84.8	Confident	78.7	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-110.2	-7.4	-177	-75.8	92.1	0	0	0	114	T103 Y106 R107 F125 F126 L133 Q136 A137 D141 W142 F143	T103-W139 HydrophobicContact CG2-CZ2 3.95Å; Y106-W139 HydrophobicContact CD2-CZ2 4.44Å; R107-W139 HydrophobicContact CG-CH2 3.74Å; R107-W139 HydrophobicContact CG-CZ2 3.99Å; R107-W139 HydrophobicContact CG-CZ3 4.38Å; F125-W139 HydrophobicContact CE1-CH2 4.15Å; F125-W139 AromaticContact CE1-CZ3 3.89Å; F125-W139 HydrophobicContact CE1-CZ3 3.89Å; F125-W139 AromaticContact CZ-CH2 3.99Å; F125-W139 HydrophobicContact CZ-CH2 3.99Å; F125-W139 HydrophobicContact CZ-CZ3 4.2Å; F126-W139 HydrophobicContact CE1-CE3 4.14Å; F126-W139 HydrophobicContact CE1-CZ3 4.19Å; F126-W139 HydrophobicContact CZ-CZ3 4.43Å; L133-W139 HydrophobicContact CB-CB 3.97Å; L133-W139 HydrophobicContact CB-CD2 4.49Å; L133-W139 HydrophobicContact CB-CG 4.03Å; L133-W139 HydrophobicContact CD1-CD2 3.77Å; L133-W139 HydrophobicContact CD1-CE3 3.8Å; L133-W139 HydrophobicContact CD1-CG 4.18Å; L133-W139 HydrophobicContact CD1-CZ3 4.2Å; L133-W139 HydrophobicContact CD2-CD2 4.05Å; L133-W139 HydrophobicContact CD2-CG 3.94Å; L133-W139 HydrophobicContact CG-CD2 4.3Å; L133-W139 HydrophobicContact CG-CG 4.24Å; Q136-W139 PolarHBondContact O-N 3.04Å; A137-W139 PolarHBondContact O-N 3.23Å; W139-D141 VanDerWaalsContact C-N 3.34Å; W139-D141 PolarHBondContact O-N 2.85Å; W139-W142 HydrophobicContact CE3-CB 3.77Å; W139-W142 HydrophobicContact CE3-CG 4.11Å; W139-W142 HydrophobicContact CZ3-CB 4.26Å; W139-W142 HydrophobicContact CZ3-CD2 4.47Å; W139-W142 HydrophobicContact CZ3-CE3 4.35Å; W139-W142 HydrophobicContact CZ3-CG 4.43Å; W139-W142 WeakPolarHBondContact O-CB 3.42Å; W139-W142 PolarHBondContact O-N 3.06Å; W139-W142 VanDerWaalsContact O-N 3.12Å; W139-F143 HydrophobicContact CB-CE2 4.35Å; W139-F143 WeakPolarHBondContact O-CD2 3.35Å; W139-F143 PolarHBondContact O-N 3.26Å
140	R	80.8	Confident	78.4	Confident	195 Å²	195	76.3 Å²	76.3	74%	0.736	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-49.9	-174.8	-179.9	177.2	177.7	156	-0.2	112.8	A137	A137-R140 WeakPolarHBondContact O-CB 3.46Å; A137-R140 PolarHBondContact O-N 3.35Å
141	D	78.6	Confident	78.4	Confident	91 Å²	91	75.7 Å²	75.7	49%	0.487	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-22.3	-174.8	-47.7	-46.4	0	0	0	111.9	W139 F143 I144 F157	W139-D141 VanDerWaalsContact C-N 3.34Å; W139-D141 PolarHBondContact O-N 2.85Å; D141-F143 VanDerWaalsContact C-N 3.26Å; D141-F143 PolarHBondContact O-N 3.11Å; D141-I144 WeakPolarHBondContact O-CB 3.17Å; D141-I144 PolarHBondContact O-N 2.94Å; D141-I144 VanDerWaalsContact O-N 3.11Å; D141-F157 HydrophobicContact CB-CZ 4.31Å
142	W	84.2	Confident	78.3	Confident	10 Å²	10	72.9 Å²	72.9	4%	0.038	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-66.6	-24.2	178.4	-74.2	73.7	0	0	0	113	R107 V110 I111 F126 W139 I144 L145 F157 Y160	R107-W142 HydrophobicContact CB-CH2 3.83Å; R107-W142 HydrophobicContact CB-CZ2 4.43Å; R107-W142 HydrophobicContact CB-CZ3 3.95Å; R107-W142 VanDerWaalsContact CD-CZ2 3.46Å; R107-W142 HydrophobicContact CG-CD2 4.24Å; R107-W142 HydrophobicContact CG-CE3 4.06Å; R107-W142 HydrophobicContact CG-CH2 3.64Å; R107-W142 HydrophobicContact CG-CZ2 3.8Å; R107-W142 HydrophobicContact CG-CZ3 3.76Å; V110-W142 HydrophobicContact CG1-CE3 4.44Å; V110-W142 HydrophobicContact CG1-CZ3 4.46Å; I111-W142 HydrophobicContact CD1-CH2 4.2Å; I111-W142 HydrophobicContact CD1-CZ3 4.46Å; I111-W142 HydrophobicContact CG1-CH2 4.47Å; I111-W142 HydrophobicContact CG1-CZ3 4.34Å; F126-W142 HydrophobicContact CE1-CB 4.32Å; F126-W142 HydrophobicContact CZ-CB 4.26Å; F126-W142 WeakPolarHBondContact CZ-O 3.48Å; W139-W142 HydrophobicContact CE3-CB 3.77Å; W139-W142 HydrophobicContact CE3-CG 4.11Å; W139-W142 HydrophobicContact CZ3-CB 4.26Å; W139-W142 HydrophobicContact CZ3-CD2 4.47Å; W139-W142 HydrophobicContact CZ3-CE3 4.35Å; W139-W142 HydrophobicContact CZ3-CG 4.43Å; W139-W142 WeakPolarHBondContact O-CB 3.42Å; W139-W142 PolarHBondContact O-N 3.06Å; W139-W142 VanDerWaalsContact O-N 3.12Å; W142-I144 PolarHBondContact O-N 3.25Å; W142-L145 HydrophobicContact CE3-CD2 3.86Å; W142-L145 HydrophobicContact CZ3-CD2 3.99Å; W142-L145 WeakPolarHBondContact O-CB 3.42Å; W142-L145 PolarHBondContact O-N 3.5Å; W142-L145 VanDerWaalsContact O-N 3.12Å; W142-F157 HydrophobicContact CD2-CE1 4.07Å; W142-F157 AromaticContact CE2-CE1 3.96Å; W142-F157 HydrophobicContact CG-CE1 4.15Å; W142-F157 HydrophobicContact CZ2-CD1 4.22Å; W142-F157 HydrophobicContact CZ2-CE1 4.43Å; W142-Y160 AromaticContact CH2-CD1 3.89Å; W142-Y160 HydrophobicContact CH2-CD1 3.89Å; W142-Y160 HydrophobicContact CH2-CD2 4.28Å; W142-Y160 HydrophobicContact CH2-CE1 4.32Å; W142-Y160 AromaticContact CH2-CG 3.88Å; W142-Y160 HydrophobicContact CH2-CG 3.88Å; W142-Y160 AromaticContact CZ2-CD1 3.89Å; W142-Y160 HydrophobicContact CZ2-CD1 3.89Å; W142-Y160 AromaticContact CZ2-CD2 3.98Å; W142-Y160 HydrophobicContact CZ2-CD2 3.98Å; W142-Y160 AromaticContact CZ2-CE1 3.86Å; W142-Y160 HydrophobicContact CZ2-CE1 3.86Å; W142-Y160 AromaticContact CZ2-CE2 3.95Å; W142-Y160 HydrophobicContact CZ2-CE2 3.95Å; W142-Y160 AromaticContact CZ2-CG 3.95Å; W142-Y160 HydrophobicContact CZ2-CG 3.95Å; W142-Y160 AromaticContact CZ2-CZ 3.89Å
143	F	81.9	Confident	78.2	Confident	56 Å²	56	76 Å²	76	25%	0.246	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-63.3	-19	172.4	-73.6	-79.5	0	0	0	113.7	F126 A130 L133 W139 D141 P146	F126-F143 HydrophobicContact CB-CD1 4.49Å; F126-F143 AromaticContact CD1-CD1 3.62Å; F126-F143 HydrophobicContact CD1-CD1 3.62Å; F126-F143 AromaticContact CD1-CE1 3.78Å; F126-F143 HydrophobicContact CD1-CE1 3.78Å; F126-F143 HydrophobicContact CD1-CG 4.32Å; F126-F143 HydrophobicContact CE1-CD1 4.24Å; F126-F143 HydrophobicContact CG-CD1 4.33Å; A130-F143 HydrophobicContact CB-CE1 4.05Å; A130-F143 HydrophobicContact CB-CZ 4.47Å; L133-F143 HydrophobicContact CB-CE2 4.34Å; L133-F143 HydrophobicContact CB-CZ 3.96Å; W139-F143 HydrophobicContact CB-CE2 4.35Å; W139-F143 WeakPolarHBondContact O-CD2 3.35Å; W139-F143 PolarHBondContact O-N 3.26Å; D141-F143 VanDerWaalsContact C-N 3.26Å; D141-F143 PolarHBondContact O-N 3.11Å; F143-P146 WeakPolarHBondContact O-CD 3.37Å
144	I	81.7	Confident	78.1	Confident	97 Å²	97	78.3 Å²	78.3	50%	0.497	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-81.4	-24.8	177.1	-54.6	171.4	0	0	0	110.8	D141 W142 F147 I148	D141-I144 WeakPolarHBondContact O-CB 3.17Å; D141-I144 PolarHBondContact O-N 2.94Å; D141-I144 VanDerWaalsContact O-N 3.11Å; W142-I144 PolarHBondContact O-N 3.25Å; I144-F147 WeakPolarHBondContact O-CB 3.49Å; I144-F147 PolarHBondContact O-N 3.5Å; I144-I148 HydrophobicContact CG2-CD1 4.24Å; I144-I148 HydrophobicContact CG2-CG1 4.14Å
145	L	80.6	Confident	78.2	Confident	2 Å²	2	77.3 Å²	77.3	1%	0.01	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-51.1	-40.5	-172.8	-162.7	74.3	0	0	0	115.1	V110 I114 W142 F147 I148 P151 F157 F161	V110-L145 HydrophobicContact CG1-CD2 3.63Å; I114-L145 HydrophobicContact CD1-CD2 3.46Å; I114-L145 VanDerWaalsContact CD1-CD2 3.46Å; I114-L145 HydrophobicContact CD1-CG 3.72Å; W142-L145 HydrophobicContact CE3-CD2 3.86Å; W142-L145 HydrophobicContact CZ3-CD2 3.99Å; W142-L145 WeakPolarHBondContact O-CB 3.42Å; W142-L145 PolarHBondContact O-N 3.5Å; W142-L145 VanDerWaalsContact O-N 3.12Å; L145-F147 PolarHBondContact O-N 2.88Å; L145-F147 VanDerWaalsContact O-N 3.14Å; L145-I148 PolarHBondContact O-N 3.41Å; L145-P151 HydrophobicContact CD1-CB 3.81Å; L145-F157 HydrophobicContact CD1-CB 4.16Å; L145-F157 HydrophobicContact CD1-CD1 3.86Å; L145-F157 HydrophobicContact CD1-CD2 3.79Å; L145-F157 HydrophobicContact CD1-CE1 4.18Å; L145-F157 HydrophobicContact CD1-CE2 4.11Å; L145-F157 HydrophobicContact CD1-CG 3.66Å; L145-F157 HydrophobicContact CD1-CZ 4.3Å; L145-F161 HydrophobicContact CD1-CE2 4.4Å
146	P	77.6	Confident	78.3	Confident	16 Å²	16	76.6 Å²	76.6	10%	0.104	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-67.7	-9.5	178.2	-18.8	33.2	0	0	0	115	T122 Q123 F126 F143	T122-P146 HydrophobicContact CG2-CG 4.2Å; Q123-P146 HydrophobicContact CG-CB 4.34Å; F126-P146 HydrophobicContact CD2-CG 3.57Å; F126-P146 HydrophobicContact CE2-CG 3.67Å; F143-P146 WeakPolarHBondContact O-CD 3.37Å
147	F	78.5	Confident	78.4	Confident	158 Å²	158	74.5 Å²	74.5	69%	0.693	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-109.1	0.2	-177.4	-53.4	-81.8	0	0	0	112.9	I144 L145	I144-F147 WeakPolarHBondContact O-CB 3.49Å; I144-F147 PolarHBondContact O-N 3.5Å; L145-F147 PolarHBondContact O-N 2.88Å; L145-F147 VanDerWaalsContact O-N 3.14Å
148	I	78.8	Confident	78.5	Confident	37 Å²	37	71.3 Å²	71.3	19%	0.19	38%	0.375	C	S	.	.			trans	-92	124.5	178.2	-56	177	0	0	0	108.9	I144 L145 P151 F157	I144-I148 HydrophobicContact CG2-CD1 4.24Å; I144-I148 HydrophobicContact CG2-CG1 4.14Å; L145-I148 PolarHBondContact O-N 3.41Å; I148-P151 HydrophobicContact CB-CB 4.36Å; I148-P151 HydrophobicContact CG2-CB 4.27Å; I148-F157 HydrophobicContact CD1-CD2 4.08Å; I148-F157 HydrophobicContact CD1-CE2 3.85Å
149	P	67.3	Low	78.6	Confident	127 Å²	127	70.1 Å²	70.1	83%	0.825	38%	0.381	S	S	*	.	S	Bend	trans	-73.2	-28.7	-177.3	27.9	-34.6	0	0	0	113.9
150	T	77.4	Confident	78.6	Confident	67 Å²	67	73 Å²	73	41%	0.411	39%	0.392	S	S	.	.			trans	-131.8	70.5	177.2	48.5	0	0	0	0	111.3	E152 Q153	T150-E152 PolarHBondContact O-N 3.15Å; T150-Q153 VanDerWaalsContact CB-OE1 3.29Å; T150-Q153 PolarHBondContact O-N 3.25Å; T150-Q153 VanDerWaalsContact O-N 3.08Å; T150-Q153 PolarHBondContact OG1-OE1 3.47Å
151	P	76.2	Confident	78.7	Confident	13 Å²	13	64.4 Å²	64.4	8%	0.084	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-64.3	-24.6	-172.2	26.5	-34	0	0	0	113.6	I114 L145 I148 Q153 N154 F161	I114-P151 HydrophobicContact CG2-CG 3.84Å; L145-P151 HydrophobicContact CD1-CB 3.81Å; I148-P151 HydrophobicContact CB-CB 4.36Å; I148-P151 HydrophobicContact CG2-CB 4.27Å; P151-Q153 VanDerWaalsContact C-N 3.26Å; P151-Q153 PolarHBondContact O-N 3.22Å; P151-N154 PolarHBondContact O-N 2.9Å; P151-F161 HydrophobicContact CB-CE2 3.85Å; P151-F161 HydrophobicContact CB-CZ 3.81Å; P151-F161 HydrophobicContact CG-CE1 4.37Å; P151-F161 HydrophobicContact CG-CE2 4.29Å; P151-F161 HydrophobicContact CG-CZ 3.8Å
152	E	75.3	Confident	79.1	Confident	112 Å²	112	62 Å²	62	52%	0.523	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-65.3	-27	175.7	-50.2	-166.5	140.7	0	0	113.1	T150 G158 F161	T150-E152 PolarHBondContact O-N 3.15Å; E152-G158 VanDerWaalsContact O-CA 3.29Å; E152-G158 WeakPolarHBondContact O-CA 3.46Å; E152-F161 HydrophobicContact CB-CB 4.43Å; E152-F161 HydrophobicContact CB-CG 4.39Å; E152-F161 HydrophobicContact CG-CB 4.05Å; E152-F161 HydrophobicContact CG-CD1 3.72Å; E152-F161 HydrophobicContact CG-CD2 4.27Å; E152-F161 HydrophobicContact CG-CE1 4.26Å; E152-F161 HydrophobicContact CG-CG 3.75Å
153	Q	75	Confident	79.1	Confident	150 Å²	150	70.8 Å²	70.8	70%	0.701	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-86.9	-8.6	-179	-65.5	174.4	-14.4	0	0	113.1	T150 P151 P155	T150-Q153 VanDerWaalsContact CB-OE1 3.29Å; T150-Q153 PolarHBondContact O-N 3.25Å; T150-Q153 VanDerWaalsContact O-N 3.08Å; T150-Q153 PolarHBondContact OG1-OE1 3.47Å; P151-Q153 VanDerWaalsContact C-N 3.26Å; P151-Q153 PolarHBondContact O-N 3.22Å; Q153-P155 WeakPolarHBondContact O-CD 3.39Å
154	N	79.6	Confident	79.3	Confident	51 Å²	51	75.5 Å²	75.5	27%	0.273	41%	0.406	S	S	.	.	S	Bend	trans	-81	123.1	179.4	-176.1	-32.4	0	0	0	110.2	P151 A156 F157 G158	P151-N154 PolarHBondContact O-N 2.9Å; N154-A156 PolarHBondContact O-N 3.42Å; N154-A156 WeakPolarHBondContact OD1-CB 3.26Å; N154-A156 PolarHBondContact OD1-N 2.87Å; N154-F157 HydrophobicContact CB-CD2 4.1Å; N154-F157 PolarHBondContact O-N 2.9Å; N154-G158 PolarHBondContact O-N 3.34Å
155	P	73.7	Confident	79.7	Confident	129 Å²	129	73.2 Å²	73.2	84%	0.838	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.7	-179.8	-28.3	35.9	0	0	0	115.2	Q153	Q153-P155 WeakPolarHBondContact O-CD 3.39Å
156	A	74.6	Confident	80	Confident	63 Å²	63	74 Å²	74	52%	0.521	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-22.2	178.5	0	0	0	0	0	113.8	N154	N154-A156 PolarHBondContact O-N 3.42Å; N154-A156 WeakPolarHBondContact OD1-CB 3.26Å; N154-A156 PolarHBondContact OD1-N 2.87Å
157	F	82.4	Confident	80.5	Confident	10 Å²	10	76.7 Å²	76.7	4%	0.044	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-28.5	-172.5	-60.1	-65.1	0	0	0	114.4	D141 W142 L145 I148 N154 A159 Y160 F161	D141-F157 HydrophobicContact CB-CZ 4.31Å; W142-F157 HydrophobicContact CD2-CE1 4.07Å; W142-F157 AromaticContact CE2-CE1 3.96Å; W142-F157 HydrophobicContact CG-CE1 4.15Å; W142-F157 HydrophobicContact CZ2-CD1 4.22Å; W142-F157 HydrophobicContact CZ2-CE1 4.43Å; L145-F157 HydrophobicContact CD1-CB 4.16Å; L145-F157 HydrophobicContact CD1-CD1 3.86Å; L145-F157 HydrophobicContact CD1-CD2 3.79Å; L145-F157 HydrophobicContact CD1-CE1 4.18Å; L145-F157 HydrophobicContact CD1-CE2 4.11Å; L145-F157 HydrophobicContact CD1-CG 3.66Å; L145-F157 HydrophobicContact CD1-CZ 4.3Å; I148-F157 HydrophobicContact CD1-CD2 4.08Å; I148-F157 HydrophobicContact CD1-CE2 3.85Å; N154-F157 HydrophobicContact CB-CD2 4.1Å; N154-F157 PolarHBondContact O-N 2.9Å; F157-A159 PolarHBondContact O-N 2.85Å; F157-A159 VanDerWaalsContact O-N 3.09Å; F157-Y160 WeakPolarHBondContact O-CB 3.37Å; F157-Y160 PolarHBondContact O-N 2.93Å; F157-F161 HydrophobicContact CB-CD2 4.46Å; F157-F161 HydrophobicContact CB-CE2 4.13Å; F157-F161 WeakPolarHBondContact O-CD2 3.39Å
158	G	79.4	Confident	81.1	Confident	23 Å²	23	73.7 Å²	73.7	24%	0.237	41%	0.406	C	S	.	.	H	α-helix	trans	-54.3	-34.7	-173.8	0	0	0	0	0	114.6	E152 N154 Y160 F161 S162	E152-G158 VanDerWaalsContact O-CA 3.29Å; E152-G158 WeakPolarHBondContact O-CA 3.46Å; N154-G158 PolarHBondContact O-N 3.34Å; G158-Y160 PolarHBondContact O-N 3.46Å; G158-F161 PolarHBondContact O-N 3.09Å; G158-F161 VanDerWaalsContact O-N 3.16Å; G158-S162 PolarHBondContact O-N 2.77Å
159	A	81.5	Confident	81.7	Confident	66 Å²	66	72.3 Å²	72.3	55%	0.545	40%	0.399	S	S	.	.	H	α-helix	trans	-57.1	-36.4	174.2	0	0	0	0	0	113.1	F157 S162 W165	F157-A159 PolarHBondContact O-N 2.85Å; F157-A159 VanDerWaalsContact O-N 3.09Å; A159-S162 WeakPolarHBondContact O-CB 3.41Å; A159-S162 PolarHBondContact O-N 2.64Å; A159-S162 PolarHBondContact O-OG 3.06Å; A159-W165 VanDerWaalsContact O-CB 3.31Å; A159-W165 WeakPolarHBondContact O-CB 3.46Å
160	Y	84.6	Confident	82.8	Confident	59 Å²	59	67.4 Å²	67.4	23%	0.231	37%	0.366	C	S	.	.	H	α-helix	trans	-76.2	-27	179.8	-64.5	-92.3	0	0	0	113.1	W142 F157 G158 S162 W165	W142-Y160 AromaticContact CH2-CD1 3.89Å; W142-Y160 HydrophobicContact CH2-CD1 3.89Å; W142-Y160 HydrophobicContact CH2-CD2 4.28Å; W142-Y160 HydrophobicContact CH2-CE1 4.32Å; W142-Y160 AromaticContact CH2-CG 3.88Å; W142-Y160 HydrophobicContact CH2-CG 3.88Å; W142-Y160 AromaticContact CZ2-CD1 3.89Å; W142-Y160 HydrophobicContact CZ2-CD1 3.89Å; W142-Y160 AromaticContact CZ2-CD2 3.98Å; W142-Y160 HydrophobicContact CZ2-CD2 3.98Å; W142-Y160 AromaticContact CZ2-CE1 3.86Å; W142-Y160 HydrophobicContact CZ2-CE1 3.86Å; W142-Y160 AromaticContact CZ2-CE2 3.95Å; W142-Y160 HydrophobicContact CZ2-CE2 3.95Å; W142-Y160 AromaticContact CZ2-CG 3.95Å; W142-Y160 HydrophobicContact CZ2-CG 3.95Å; W142-Y160 AromaticContact CZ2-CZ 3.89Å; F157-Y160 WeakPolarHBondContact O-CB 3.37Å; F157-Y160 PolarHBondContact O-N 2.93Å; G158-Y160 PolarHBondContact O-N 3.46Å; Y160-S162 PolarHBondContact O-N 3.16Å; Y160-W165 AromaticContact CD1-CD2 3.97Å; Y160-W165 HydrophobicContact CD1-CD2 3.97Å; Y160-W165 AromaticContact CD1-CE2 3.5Å; Y160-W165 VanDerWaalsContact CD1-CE2 3.5Å; Y160-W165 HydrophobicContact CD1-CG 4.43Å; Y160-W165 HydrophobicContact CD1-CH2 4.33Å; Y160-W165 AromaticContact CD1-CZ2 3.72Å; Y160-W165 HydrophobicContact CD1-CZ2 3.72Å; Y160-W165 AromaticContact CD1-NE1 3.63Å; Y160-W165 HydrophobicContact CE1-CZ2 4.16Å; Y160-W165 AromaticContact CE1-NE1 3.83Å; Y160-W165 VanDerWaalsContact O-CE3 3.27Å
161	F	84.4	Confident	83.4	Confident	16 Å²	16	68.2 Å²	68.2	7%	0.07	37%	0.37	C	S	.	.	H	α-helix	trans	-75.3	-12.2	173.1	-72.5	-88.9	0	0	0	112.5	I111 I114 Q115 L145 P151 E152 F157 G158	I111-F161 HydrophobicContact CG2-CD1 3.81Å; I111-F161 HydrophobicContact CG2-CE1 4.01Å; I111-F161 HydrophobicContact CG2-CG 4.34Å; I114-F161 HydrophobicContact CB-CE1 4.17Å; I114-F161 HydrophobicContact CB-CZ 4.47Å; I114-F161 HydrophobicContact CD1-CZ 4.33Å; I114-F161 HydrophobicContact CG2-CE1 3.76Å; I114-F161 HydrophobicContact CG2-CZ 4.03Å; Q115-F161 HydrophobicContact CG-CD1 3.78Å; Q115-F161 HydrophobicContact CG-CE1 4.12Å; Q115-F161 PolarHBondContact NE2-O 2.77Å; Q115-F161 VanDerWaalsContact NE2-O 3.07Å; L145-F161 HydrophobicContact CD1-CE2 4.4Å; P151-F161 HydrophobicContact CB-CE2 3.85Å; P151-F161 HydrophobicContact CB-CZ 3.81Å; P151-F161 HydrophobicContact CG-CE1 4.37Å; P151-F161 HydrophobicContact CG-CE2 4.29Å; P151-F161 HydrophobicContact CG-CZ 3.8Å; E152-F161 HydrophobicContact CB-CB 4.43Å; E152-F161 HydrophobicContact CB-CG 4.39Å; E152-F161 HydrophobicContact CG-CB 4.05Å; E152-F161 HydrophobicContact CG-CD1 3.72Å; E152-F161 HydrophobicContact CG-CD2 4.27Å; E152-F161 HydrophobicContact CG-CE1 4.26Å; E152-F161 HydrophobicContact CG-CG 3.75Å; F157-F161 HydrophobicContact CB-CD2 4.46Å; F157-F161 HydrophobicContact CB-CE2 4.13Å; F157-F161 WeakPolarHBondContact O-CD2 3.39Å; G158-F161 PolarHBondContact O-N 3.09Å; G158-F161 VanDerWaalsContact O-N 3.16Å
162	S	86.3	Confident	84.1	Confident	41 Å²	41	70.1 Å²	70.1	29%	0.287	38%	0.384	S	S	.	.	S	Bend	trans	-66.4	138.7	175.7	79.3	0	0	0	0	112.1	G158 A159 Y160 Q164 W165 A166	G158-S162 PolarHBondContact O-N 2.77Å; A159-S162 WeakPolarHBondContact O-CB 3.41Å; A159-S162 PolarHBondContact O-N 2.64Å; A159-S162 PolarHBondContact O-OG 3.06Å; Y160-S162 PolarHBondContact O-N 3.16Å; S162-Q164 PolarHBondContact O-N 3.17Å; S162-W165 PolarHBondContact O-N 3.04Å; S162-W165 WeakPolarHBondContact OG-CB 3.29Å; S162-W165 PolarHBondContact OG-N 3.07Å; S162-W165 VanDerWaalsContact OG-N 3.11Å; S162-A166 PolarHBondContact O-N 3.43Å
163	R	84.5	Confident	84.7	Confident	194 Å²	194	64.8 Å²	64.8	73%	0.732	36%	0.359	S	S	*	.	H	α-helix	trans	-59	-34.8	171.8	-178.8	173.5	179.5	156.8	5	112.1	W165 A166 D167	R163-W165 VanDerWaalsContact C-N 3.32Å; R163-W165 PolarHBondContact O-N 3.37Å; R163-A166 PolarHBondContact O-N 2.7Å; R163-D167 WeakPolarHBondContact CG-OD2 2.99Å; R163-D167 IonicContact NE-OD2 2.74Å; R163-D167 PolarHBondContact NE-OD2 3.47Å; R163-D167 WeakPolarHBondContact O-CB 3.46Å; R163-D167 PolarHBondContact O-N 3.32Å
164	Q	84.9	Confident	85.3	Confident	154 Å²	154	60.2 Å²	60.2	72%	0.72	34%	0.338	S	S	*	.	H	α-helix	trans	-58.3	-41.5	176.3	-69	176.4	-15.6	0	0	112.2	S162 T168	S162-Q164 PolarHBondContact O-N 3.17Å; Q164-T168 VanDerWaalsContact O-CB 3.23Å; Q164-T168 WeakPolarHBondContact O-CB 3.27Å; Q164-T168 PolarHBondContact O-N 2.83Å; Q164-T168 PolarHBondContact O-OG1 3.43Å
165	W	90.9	Very high	85.7	Confident	50 Å²	50	62.3 Å²	62.3	19%	0.189	35%	0.349	C	S	.	.	H	α-helix	trans	-64.8	-45.3	175.8	178.5	83.3	0	0	0	112	R107 Y108 I111 A159 Y160 S162 R163 T168 F169	R107-W165 HydrophobicContact CB-CH2 4.1Å; Y108-W165 HydrophobicContact CD2-CZ3 4.19Å; I111-W165 HydrophobicContact CD1-CE3 4Å; I111-W165 HydrophobicContact CD1-CH2 3.87Å; I111-W165 HydrophobicContact CD1-CZ3 3.39Å; A159-W165 VanDerWaalsContact O-CB 3.31Å; A159-W165 WeakPolarHBondContact O-CB 3.46Å; Y160-W165 AromaticContact CD1-CD2 3.97Å; Y160-W165 HydrophobicContact CD1-CD2 3.97Å; Y160-W165 AromaticContact CD1-CE2 3.5Å; Y160-W165 VanDerWaalsContact CD1-CE2 3.5Å; Y160-W165 HydrophobicContact CD1-CG 4.43Å; Y160-W165 HydrophobicContact CD1-CH2 4.33Å; Y160-W165 AromaticContact CD1-CZ2 3.72Å; Y160-W165 HydrophobicContact CD1-CZ2 3.72Å; Y160-W165 AromaticContact CD1-NE1 3.63Å; Y160-W165 HydrophobicContact CE1-CZ2 4.16Å; Y160-W165 AromaticContact CE1-NE1 3.83Å; Y160-W165 VanDerWaalsContact O-CE3 3.27Å; S162-W165 PolarHBondContact O-N 3.04Å; S162-W165 WeakPolarHBondContact OG-CB 3.29Å; S162-W165 PolarHBondContact OG-N 3.07Å; S162-W165 VanDerWaalsContact OG-N 3.11Å; R163-W165 VanDerWaalsContact C-N 3.32Å; R163-W165 PolarHBondContact O-N 3.37Å; W165-T168 PolarHBondContact O-N 3.15Å; W165-F169 WeakPolarHBondContact O-CB 3.36Å; W165-F169 PolarHBondContact O-N 2.9Å
166	A	87.7	Confident	86.3	Confident	17 Å²	17	57.8 Å²	57.8	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-47.8	178.5	0	0	0	0	0	112.2	Y108 S162 R163 T168 F169 L170	Y108-A166 HydrophobicContact CD2-CB 4.23Å; Y108-A166 HydrophobicContact CE2-CB 3.91Å; S162-A166 PolarHBondContact O-N 3.43Å; R163-A166 PolarHBondContact O-N 2.7Å; A166-T168 PolarHBondContact O-N 3.14Å; A166-F169 PolarHBondContact O-N 3.3Å; A166-L170 VanDerWaalsContact O-CG 3.3Å; A166-L170 WeakPolarHBondContact O-CG 3.41Å; A166-L170 PolarHBondContact O-N 2.83Å
167	D	87.8	Confident	86.7	Confident	73 Å²	73	54.8 Å²	54.8	39%	0.39	29%	0.292	S	S	.	.	H	α-helix	trans	-64.2	-40	178	-69	-22.7	0	0	0	110.7	R163 L170 V171	R163-D167 WeakPolarHBondContact CG-OD2 2.99Å; R163-D167 IonicContact NE-OD2 2.74Å; R163-D167 PolarHBondContact NE-OD2 3.47Å; R163-D167 WeakPolarHBondContact O-CB 3.46Å; R163-D167 PolarHBondContact O-N 3.32Å; D167-L170 PolarHBondContact O-N 2.66Å; D167-V171 WeakPolarHBondContact O-CG2 3.4Å; D167-V171 PolarHBondContact O-N 3.44Å
168	T	89.9	Confident	86.7	Confident	95 Å²	95	54.9 Å²	54.9	58%	0.583	29%	0.293	S	S	*	.	H	α-helix	trans	-64.3	-42.9	175.3	-58.3	0	0	0	0	112.3	Q164 W165 A166 V171 S172	Q164-T168 VanDerWaalsContact O-CB 3.23Å; Q164-T168 WeakPolarHBondContact O-CB 3.27Å; Q164-T168 PolarHBondContact O-N 2.83Å; Q164-T168 PolarHBondContact O-OG1 3.43Å; W165-T168 PolarHBondContact O-N 3.15Å; A166-T168 PolarHBondContact O-N 3.14Å; T168-V171 PolarHBondContact O-N 3.31Å; T168-S172 WeakPolarHBondContact O-CB 3.26Å; T168-S172 PolarHBondContact O-N 2.81Å; T168-S172 PolarHBondContact O-OG 2.97Å
169	F	92.3	Very high	86.7	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.035	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-48.9	174.8	165.1	-116.5	0	0	0	110.8	L101 L105 Y108 W165 A166 V171 S172 L173	L101-F169 HydrophobicContact CD2-CE2 4.16Å; L105-F169 HydrophobicContact CB-CZ 3.84Å; L105-F169 HydrophobicContact CD1-CE1 4.2Å; L105-F169 HydrophobicContact CD1-CZ 4.14Å; Y108-F169 HydrophobicContact CD1-CD1 4.5Å; Y108-F169 HydrophobicContact CD1-CE1 4.17Å; Y108-F169 HydrophobicContact CG-CD1 4.21Å; Y108-F169 HydrophobicContact CG-CE1 4.22Å; W165-F169 WeakPolarHBondContact O-CB 3.36Å; W165-F169 PolarHBondContact O-N 2.9Å; A166-F169 PolarHBondContact O-N 3.3Å; F169-V171 PolarHBondContact O-N 3.4Å; F169-S172 PolarHBondContact O-N 3.28Å; F169-S172 PolarHBondContact O-OG 3.25Å; F169-L173 HydrophobicContact CZ-CD2 4.13Å; F169-L173 PolarHBondContact O-N 2.88Å
170	L	90.8	Very high	86.5	Confident	25 Å²	25	54.9 Å²	54.9	13%	0.131	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-41.4	-179.7	-70.4	167.2	0	0	0	112.4	I60 Q64 A166 D167 L173 H174	I60-L170 HydrophobicContact CG2-CD2 4.07Å; Q64-L170 HydrophobicContact CG-CD2 4.05Å; A166-L170 VanDerWaalsContact O-CG 3.3Å; A166-L170 WeakPolarHBondContact O-CG 3.41Å; A166-L170 PolarHBondContact O-N 2.83Å; D167-L170 PolarHBondContact O-N 2.66Å; L170-L173 PolarHBondContact O-N 3.45Å; L170-H174 WeakPolarHBondContact O-CB 3.28Å; L170-H174 PolarHBondContact O-N 2.84Å
171	V	89.9	Confident	85.9	Confident	83 Å²	83	52.6 Å²	52.6	50%	0.503	27%	0.272	S	S	.	.	H	α-helix	trans	-65.3	-41.7	173.9	170.9	0	0	0	0	111.7	D167 T168 F169 L173 H174 N175	D167-V171 WeakPolarHBondContact O-CG2 3.4Å; D167-V171 PolarHBondContact O-N 3.44Å; T168-V171 PolarHBondContact O-N 3.31Å; F169-V171 PolarHBondContact O-N 3.4Å; V171-L173 VanDerWaalsContact C-N 3.34Å; V171-L173 PolarHBondContact O-N 3.08Å; V171-H174 PolarHBondContact O-N 2.88Å; V171-N175 WeakPolarHBondContact O-CB 3.46Å; V171-N175 VanDerWaalsContact O-CG 3.29Å; V171-N175 PolarHBondContact O-N 2.95Å
172	S	89.4	Confident	85.2	Confident	53 Å²	53	56.8 Å²	56.8	37%	0.371	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-36.6	177.1	70.6	0	0	0	0	112.7	T168 F169 F176	T168-S172 WeakPolarHBondContact O-CB 3.26Å; T168-S172 PolarHBondContact O-N 2.81Å; T168-S172 PolarHBondContact O-OG 2.97Å; F169-S172 PolarHBondContact O-N 3.28Å; F169-S172 PolarHBondContact O-OG 3.25Å; S172-F176 VanDerWaalsContact O-CB 3.3Å; S172-F176 WeakPolarHBondContact O-CB 2.85Å; S172-F176 PolarHBondContact O-N 3.27Å
173	L	88.9	Confident	84.1	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-67.5	-39.8	173.6	-178.3	62.4	0	0	0	111.8	I60 L63 W79 L101 F169 L170 V171 L177	I60-L173 HydrophobicContact CD1-CG 4.43Å; I60-L173 HydrophobicContact CG1-CD2 4.35Å; I60-L173 HydrophobicContact CG1-CG 4.47Å; L63-L173 HydrophobicContact CD1-CD2 3.92Å; W79-L173 HydrophobicContact CH2-CD1 4.21Å; W79-L173 HydrophobicContact CZ3-CD1 4.22Å; L101-L173 HydrophobicContact CD1-CD1 4.23Å; L101-L173 HydrophobicContact CD2-CB 4.47Å; L101-L173 HydrophobicContact CD2-CD1 4.4Å; F169-L173 HydrophobicContact CZ-CD2 4.13Å; F169-L173 PolarHBondContact O-N 2.88Å; L170-L173 PolarHBondContact O-N 3.45Å; V171-L173 VanDerWaalsContact C-N 3.34Å; V171-L173 PolarHBondContact O-N 3.08Å; L173-L177 HydrophobicContact CD1-CD1 4.18Å; L173-L177 HydrophobicContact CD1-CG 4.33Å; L173-L177 HydrophobicContact CG-CD1 4.18Å; L173-L177 WeakPolarHBondContact O-CB 3.48Å; L173-L177 WeakPolarHBondContact O-CG 3.4Å; L173-L177 PolarHBondContact O-N 2.92Å
174	H	88	Confident	83.1	Confident	53 Å²	53	52.4 Å²	52.4	25%	0.245	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-49.9	174.6	-167.6	-59.7	0	0	0	111.8	V56 D57 I60 L170 V171 F176 L177 S178	V56-H174 HydrophobicContact CG1-CB 4.35Å; D57-H174 IonicContact OD1-CD2 2.75Å; D57-H174 IonicContact OD1-CE1 3.39Å; D57-H174 IonicContact OD1-NE2 2.69Å; D57-H174 PolarHBondContact OD1-NE2 3.34Å; I60-H174 VanDerWaalsContact CD1-CA 3.49Å; I60-H174 HydrophobicContact CD1-CB 3.55Å; L170-H174 WeakPolarHBondContact O-CB 3.28Å; L170-H174 PolarHBondContact O-N 2.84Å; V171-H174 PolarHBondContact O-N 2.88Å; H174-F176 PolarHBondContact O-N 3Å; H174-L177 PolarHBondContact O-N 3.11Å; H174-S178 PolarHBondContact CE1-OG 3.28Å; H174-S178 PolarHBondContact ND1-OG 3.24Å; H174-S178 VanDerWaalsContact ND1-OG 3.15Å; H174-S178 VanDerWaalsContact O-CB 3.29Å; H174-S178 WeakPolarHBondContact O-CB 3.09Å; H174-S178 PolarHBondContact O-N 3.24Å; H174-S178 PolarHBondContact O-OG 3.3Å
175	N	87.3	Confident	81.4	Confident	95 Å²	95	54 Å²	54	51%	0.508	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-44.2	178.2	-69.5	-14.3	0	0	0	111.4	V171 S178 V179	V171-N175 WeakPolarHBondContact O-CB 3.46Å; V171-N175 VanDerWaalsContact O-CG 3.29Å; V171-N175 PolarHBondContact O-N 2.95Å; N175-S178 PolarHBondContact O-N 3.41Å; N175-V179 WeakPolarHBondContact O-CG2 3.4Å; N175-V179 PolarHBondContact O-N 2.84Å
176	F	87.5	Confident	79.6	Confident	34 Å²	34	56 Å²	56	15%	0.149	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-48.1	176.9	176.1	-100.9	0	0	0	112.4	F87 L90 T97 V98 L101 S172 H174 L180	F87-F176 HydrophobicContact CD1-CE1 4.37Å; F87-F176 AromaticContact CE1-CE1 3.93Å; F87-F176 HydrophobicContact CE1-CE1 3.93Å; L90-F176 HydrophobicContact CD1-CZ 4.05Å; T97-F176 HydrophobicContact CG2-CD2 4.08Å; T97-F176 HydrophobicContact CG2-CE2 4.07Å; V98-F176 HydrophobicContact CG2-CE1 4.08Å; V98-F176 HydrophobicContact CG2-CZ 3.64Å; L101-F176 HydrophobicContact CD1-CB 3.94Å; L101-F176 HydrophobicContact CD1-CD1 3.42Å; L101-F176 VanDerWaalsContact CD1-CD1 3.42Å; L101-F176 HydrophobicContact CD1-CD2 4.16Å; L101-F176 HydrophobicContact CD1-CE1 3.94Å; L101-F176 HydrophobicContact CD1-CG 3.55Å; S172-F176 VanDerWaalsContact O-CB 3.3Å; S172-F176 WeakPolarHBondContact O-CB 2.85Å; S172-F176 PolarHBondContact O-N 3.27Å; H174-F176 PolarHBondContact O-N 3Å; F176-L180 HydrophobicContact CE1-CD1 4.13Å; F176-L180 HydrophobicContact CZ-CD1 4.24Å; F176-L180 VanDerWaalsContact O-CB 3.31Å; F176-L180 WeakPolarHBondContact O-CB 3.44Å; F176-L180 PolarHBondContact O-N 3.38Å
177	L	82.6	Confident	78	Confident	1 Å²	1	59 Å²	59	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-65.3	-41.6	177.4	-71.7	173.2	0	0	0	111.5	V56 I59 I60 F87 L173 H174 L180 F181	V56-L177 HydrophobicContact CG1-CB 3.82Å; V56-L177 HydrophobicContact CG1-CD1 4.31Å; V56-L177 HydrophobicContact CG2-CB 4.06Å; I59-L177 HydrophobicContact CG2-CD1 4.09Å; I60-L177 HydrophobicContact CG1-CD1 4.31Å; F87-L177 HydrophobicContact CE1-CD2 4.09Å; F87-L177 HydrophobicContact CZ-CD2 4.27Å; L173-L177 HydrophobicContact CD1-CD1 4.18Å; L173-L177 HydrophobicContact CD1-CG 4.33Å; L173-L177 HydrophobicContact CG-CD1 4.18Å; L173-L177 WeakPolarHBondContact O-CB 3.48Å; L173-L177 WeakPolarHBondContact O-CG 3.4Å; L173-L177 PolarHBondContact O-N 2.92Å; H174-L177 PolarHBondContact O-N 3.11Å; L177-L180 WeakPolarHBondContact O-CB 3.26Å; L177-L180 PolarHBondContact O-N 2.91Å; L177-F181 HydrophobicContact CB-CE2 4.3Å; L177-F181 WeakPolarHBondContact O-CD2 3.46Å; L177-F181 PolarHBondContact O-N 3.05Å
178	S	82.3	Confident	76.4	Confident	11 Å²	11	61.3 Å²	61.3	8%	0.077	34%	0.341	C	S	.	.	H	α-helix	trans	-61	-46.4	178.2	-66.1	0	0	0	0	112.3	H174 N175 F181 Q182	H174-S178 PolarHBondContact CE1-OG 3.28Å; H174-S178 PolarHBondContact ND1-OG 3.24Å; H174-S178 VanDerWaalsContact ND1-OG 3.15Å; H174-S178 VanDerWaalsContact O-CB 3.29Å; H174-S178 WeakPolarHBondContact O-CB 3.09Å; H174-S178 PolarHBondContact O-N 3.24Å; H174-S178 PolarHBondContact O-OG 3.3Å; N175-S178 PolarHBondContact O-N 3.41Å; S178-F181 PolarHBondContact O-N 2.87Å; S178-Q182 VanDerWaalsContact O-CG 3.29Å; S178-Q182 WeakPolarHBondContact O-CG 3.5Å; S178-Q182 PolarHBondContact O-N 3.37Å
179	V	78.7	Confident	74.7	Confident	78 Å²	78	63.7 Å²	63.7	47%	0.473	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-40.8	175.1	173.2	0	0	0	0	110.9	N175 F181 Q182 C183	N175-V179 WeakPolarHBondContact O-CG2 3.4Å; N175-V179 PolarHBondContact O-N 2.84Å; V179-F181 VanDerWaalsContact C-N 3.34Å; V179-F181 PolarHBondContact O-N 3.44Å; V179-Q182 PolarHBondContact O-N 3.3Å; V179-C183 WeakPolarHBondContact O-CB 3.29Å; V179-C183 PolarHBondContact O-N 3.26Å; V179-C183 PolarHBondContact O-SG 3.31Å; V179-C183 VanDerWaalsContact O-SG 3.37Å
180	L	77.9	Confident	72.9	Confident	11 Å²	11	64.7 Å²	64.7	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-57.6	-45.3	175.3	-175.6	156.8	0	0	0	111.8	L86 F87 L90 F176 L177 C183 M184	L86-L180 HydrophobicContact CB-CD2 4.2Å; L86-L180 HydrophobicContact CD1-CD2 4.5Å; L86-L180 HydrophobicContact CD2-CD2 4.34Å; F87-L180 HydrophobicContact CD1-CD1 3.71Å; F87-L180 HydrophobicContact CE1-CD1 3.84Å; L90-L180 HydrophobicContact CD1-CD1 3.89Å; L90-L180 HydrophobicContact CD2-CD1 3.91Å; L90-L180 HydrophobicContact CD2-CG 4.14Å; L90-L180 HydrophobicContact CG-CD1 4.2Å; F176-L180 HydrophobicContact CE1-CD1 4.13Å; F176-L180 HydrophobicContact CZ-CD1 4.24Å; F176-L180 VanDerWaalsContact O-CB 3.31Å; F176-L180 WeakPolarHBondContact O-CB 3.44Å; F176-L180 PolarHBondContact O-N 3.38Å; L177-L180 WeakPolarHBondContact O-CB 3.26Å; L177-L180 PolarHBondContact O-N 2.91Å; L180-C183 PolarHBondContact O-N 2.81Å; L180-M184 HydrophobicContact CD2-CE 4.2Å; L180-M184 HydrophobicContact CD2-CG 4.2Å; L180-M184 HydrophobicContact CD2-SD 4.35Å; L180-M184 WeakPolarHBondContact O-CG 3.48Å; L180-M184 PolarHBondContact O-N 3.15Å
181	F	71.9	Confident	71.1	Confident	11 Å²	11	65.5 Å²	65.5	5%	0.048	36%	0.363	C	S	.	.	H	α-helix	trans	-68.1	-35.7	177.3	-71.9	-62.4	0	0	0	112.7	M15 F54 V56 I59 L86 L177 S178 V179 C183 M184	M15-F181 VanDerWaalsContact SD-O 3.41Å; F54-F181 HydrophobicContact CB-CE1 4.02Å; F54-F181 HydrophobicContact CB-CZ 4.36Å; F54-F181 AromaticContact CD1-CE1 3.52Å; F54-F181 HydrophobicContact CD1-CE1 3.52Å; F54-F181 AromaticContact CD1-CZ 3.88Å; F54-F181 HydrophobicContact CD1-CZ 3.88Å; F54-F181 HydrophobicContact CE1-CE1 4.35Å; F54-F181 HydrophobicContact CG-CE1 4.11Å; V56-F181 HydrophobicContact CG2-CD2 3.55Å; V56-F181 HydrophobicContact CG2-CE2 3.86Å; I59-F181 HydrophobicContact CD1-CE2 3.91Å; I59-F181 HydrophobicContact CD1-CZ 3.82Å; L86-F181 HydrophobicContact CD1-CE1 4.08Å; L86-F181 HydrophobicContact CD1-CZ 3.7Å; L86-F181 HydrophobicContact CD2-CE1 3.92Å; L86-F181 HydrophobicContact CD2-CZ 4.4Å; L177-F181 HydrophobicContact CB-CE2 4.3Å; L177-F181 WeakPolarHBondContact O-CD2 3.46Å; L177-F181 PolarHBondContact O-N 3.05Å; S178-F181 PolarHBondContact O-N 2.87Å; V179-F181 VanDerWaalsContact C-N 3.34Å; V179-F181 PolarHBondContact O-N 3.44Å; F181-C183 VanDerWaalsContact C-N 3.34Å; F181-M184 HydrophobicContact CD1-CE 3.43Å; F181-M184 VanDerWaalsContact CD1-CE 3.43Å; F181-M184 HydrophobicContact CE1-CE 3.62Å; F181-M184 PolarHBondContact O-N 3.04Å
182	Q	68.9	Low	69.7	Low	105 Å²	105	68.4 Å²	68.4	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-64.2	-36.7	172.9	-71.3	167.7	4.7	0	0	112.7	S178 V179	S178-Q182 VanDerWaalsContact O-CG 3.29Å; S178-Q182 WeakPolarHBondContact O-CG 3.5Å; S178-Q182 PolarHBondContact O-N 3.37Å; V179-Q182 PolarHBondContact O-N 3.3Å
183	C	63.6	Low	68.1	Low	96 Å²	96	68.6 Å²	68.6	65%	0.649	37%	0.366	S	S	*	.	H	α-helix	trans	-82.9	-13.1	179.2	-66.3	0	0	0	0	114.1	V179 L180 F181 H185	V179-C183 WeakPolarHBondContact O-CB 3.29Å; V179-C183 PolarHBondContact O-N 3.26Å; V179-C183 PolarHBondContact O-SG 3.31Å; V179-C183 VanDerWaalsContact O-SG 3.37Å; L180-C183 PolarHBondContact O-N 2.81Å; F181-C183 VanDerWaalsContact C-N 3.34Å; C183-H185 PolarHBondContact O-N 3.01Å
184	M	63.9	Low	66.9	Low	47 Å²	47	70.5 Å²	70.5	23%	0.232	38%	0.381	C	S	.	.	S	Bend	trans	-73	121.2	173.5	-80.5	-150.5	-64.6	0	0	110.7	L86 L180 F181 I186	L86-M184 HydrophobicContact CD2-CE 3.56Å; L86-M184 HydrophobicContact CD2-SD 4.02Å; L180-M184 HydrophobicContact CD2-CE 4.2Å; L180-M184 HydrophobicContact CD2-CG 4.2Å; L180-M184 HydrophobicContact CD2-SD 4.35Å; L180-M184 WeakPolarHBondContact O-CG 3.48Å; L180-M184 PolarHBondContact O-N 3.15Å; F181-M184 HydrophobicContact CD1-CE 3.43Å; F181-M184 VanDerWaalsContact CD1-CE 3.43Å; F181-M184 HydrophobicContact CE1-CE 3.62Å; F181-M184 PolarHBondContact O-N 3.04Å; M184-I186 PolarHBondContact O-N 3.41Å; M184-I186 VanDerWaalsContact O-N 3.12Å
185	H	49.7	Very low	65.9	Low	187 Å²	187	72.3 Å²	72.3	87%	0.866	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-50.6	119.7	178.2	-77.6	-70.8	0	0	0	112.3	C183	C183-H185 PolarHBondContact O-N 3.01Å
186	I	53.4	Low	65.3	Low	92 Å²	92	70.9 Å²	70.9	47%	0.472	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-55.6	125.2	171.7	-62.4	173.6	0	0	0	108.4	M184 L190	M184-I186 PolarHBondContact O-N 3.41Å; M184-I186 VanDerWaalsContact O-N 3.12Å; I186-L190 HydrophobicContact CG2-CB 3.44Å; I186-L190 VanDerWaalsContact CG2-CB 3.44Å
187	P	53.8	Low	64.6	Low	79 Å²	79	74.2 Å²	74.2	51%	0.513	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-54.5	146.1	177.9	-27.9	34.9	0	0	0	112.5	L189 L190 S191	P187-L189 PolarHBondContact O-N 2.81Å; P187-L190 CarbonylContact O-C 3.53Å; P187-L190 WeakPolarHBondContact O-CA 3.27Å; P187-L190 WeakPolarHBondContact O-CB 3.33Å; P187-L190 PolarHBondContact O-N 3.06Å; P187-S191 PolarHBondContact O-N 3.04Å
188	V	53.8	Low	64.2	Low	123 Å²	123	80.3 Å²	80.3	75%	0.745	42%	0.423	S	S	*	.	H	α-helix	trans	-57	-29	-172.5	-175.1	0	0	0	0	113.8	L190 S191 F192	V188-L190 VanDerWaalsContact C-N 3.33Å; V188-S191 WeakPolarHBondContact CA-OG 3.33Å; V188-S191 PolarHBondContact O-OG 3.06Å; V188-S191 VanDerWaalsContact O-OG 3.04Å; V188-F192 PolarHBondContact O-N 2.84Å
189	L	53.9	Low	63.7	Low	145 Å²	145	85.8 Å²	85.8	76%	0.759	45%	0.449	S	S	*	.	H	α-helix	trans	-66.5	-32.2	173.2	-74.9	165.3	0	0	0	113.3	P187	P187-L189 PolarHBondContact O-N 2.81Å
190	L	54.1	Low	63.9	Low	28 Å²	28	85.3 Å²	85.3	15%	0.147	45%	0.447	C	S	.	.	H	α-helix	trans	-89.4	-28.2	177.4	-69.1	-176.6	0	0	0	112.4	A18 T22 I186 P187 V188 F192 D193 A194	A18-L190 HydrophobicContact CB-CD1 3.8Å; A18-L190 HydrophobicContact CB-CD2 3.78Å; A18-L190 HydrophobicContact CB-CG 4.37Å; T22-L190 VanDerWaalsContact OG1-CD2 3.27Å; T22-L190 WeakPolarHBondContact OG1-CD2 3.44Å; I186-L190 HydrophobicContact CG2-CB 3.44Å; I186-L190 VanDerWaalsContact CG2-CB 3.44Å; P187-L190 CarbonylContact O-C 3.53Å; P187-L190 WeakPolarHBondContact O-CA 3.27Å; P187-L190 WeakPolarHBondContact O-CB 3.33Å; P187-L190 PolarHBondContact O-N 3.06Å; V188-L190 VanDerWaalsContact C-N 3.33Å; L190-F192 VanDerWaalsContact C-N 3.28Å; L190-D193 PolarHBondContact O-N 2.9Å; L190-A194 PolarHBondContact O-N 3.37Å; L190-A194 VanDerWaalsContact O-N 3.15Å
191	S	54.7	Low	64.1	Low	43 Å²	43	87.9 Å²	87.9	30%	0.301	47%	0.466	S	S	.	.	H	α-helix	trans	-64.6	-36.8	170.3	73	0	0	0	0	110.9	P187 V188 A194 E195	P187-S191 PolarHBondContact O-N 3.04Å; V188-S191 WeakPolarHBondContact CA-OG 3.33Å; V188-S191 PolarHBondContact O-OG 3.06Å; V188-S191 VanDerWaalsContact O-OG 3.04Å; S191-A194 PolarHBondContact O-N 3.39Å; S191-E195 WeakPolarHBondContact O-CB 3.33Å; S191-E195 PolarHBondContact O-N 3.42Å
192	F	58.7	Low	64.5	Low	143 Å²	143	91 Å²	91	63%	0.627	48%	0.483	S	S	*	.	H	α-helix	trans	-60.3	-45.9	175.2	-179.6	-96.2	0	0	0	113.3	V188 L190 E195 V196	V188-F192 PolarHBondContact O-N 2.84Å; L190-F192 VanDerWaalsContact C-N 3.28Å; F192-E195 VanDerWaalsContact O-CB 3.27Å; F192-E195 WeakPolarHBondContact O-CB 3.14Å; F192-E195 PolarHBondContact O-N 2.93Å; F192-V196 HydrophobicContact CD1-CG2 4.31Å; F192-V196 HydrophobicContact CE1-CG2 3.88Å; F192-V196 HydrophobicContact CE2-CG2 4.39Å; F192-V196 HydrophobicContact CZ-CG2 3.93Å; F192-V196 WeakPolarHBondContact O-CG2 3.48Å; F192-V196 PolarHBondContact O-N 2.79Å
193	D	57.5	Low	65.2	Low	58 Å²	58	88.8 Å²	88.8	31%	0.31	48%	0.482	S	S	.	.	H	α-helix	trans	-64.5	-41.7	177.1	-175.5	34.9	0	0	0	111.4	L190 E195 V196 Q197	L190-D193 PolarHBondContact O-N 2.9Å; D193-E195 VanDerWaalsContact C-N 3.31Å; D193-E195 PolarHBondContact O-N 3.35Å; D193-V196 PolarHBondContact O-N 3.19Å; D193-Q197 WeakPolarHBondContact O-CG 3.3Å; D193-Q197 PolarHBondContact O-N 2.78Å; D193-Q197 PolarHBondContact OD1-NE2 2.64Å; D193-Q197 PolarHBondContact OD2-NE2 2.92Å
194	A	63.8	Low	66.5	Low	40 Å²	40	89.7 Å²	89.7	33%	0.331	48%	0.477	S	S	.	.	H	α-helix	trans	-65.9	-30.8	172.9	0	0	0	0	0	113.3	L190 S191 R198	L190-A194 PolarHBondContact O-N 3.37Å; L190-A194 VanDerWaalsContact O-N 3.15Å; S191-A194 PolarHBondContact O-N 3.39Å; A194-R198 WeakPolarHBondContact O-CB 3.18Å; A194-R198 PolarHBondContact O-N 2.95Å; A194-R198 VanDerWaalsContact O-N 3.15Å
195	E	66.1	Low	67.6	Low	92 Å²	92	92.3 Å²	92.3	43%	0.43	49%	0.488	S	S	.	.	H	α-helix	trans	-65.3	-49.3	172	-144.6	88.5	-85.4	0	0	110.3	S191 F192 D193 R198 M199	S191-E195 WeakPolarHBondContact O-CB 3.33Å; S191-E195 PolarHBondContact O-N 3.42Å; F192-E195 VanDerWaalsContact O-CB 3.27Å; F192-E195 WeakPolarHBondContact O-CB 3.14Å; F192-E195 PolarHBondContact O-N 2.93Å; D193-E195 VanDerWaalsContact C-N 3.31Å; D193-E195 PolarHBondContact O-N 3.35Å; E195-R198 PolarHBondContact O-N 2.99Å; E195-R198 IonicContact OE1-CZ 3.61Å; E195-R198 IonicContact OE1-NH1 3.63Å; E195-R198 PolarHBondContact OE1-NH1 3.3Å; E195-R198 IonicContact OE1-NH2 2.64Å; E195-R198 PolarHBondContact OE1-NH2 2.85Å; E195-R198 VanDerWaalsContact OE1-NH2 3.09Å; E195-M199 WeakPolarHBondContact O-CB 3.21Å; E195-M199 VanDerWaalsContact O-CG 3.28Å; E195-M199 WeakPolarHBondContact O-CG 3.44Å; E195-M199 PolarHBondContact O-N 2.69Å
196	V	75.4	Confident	69.2	Low	64 Å²	64	87.1 Å²	87.1	39%	0.388	47%	0.467	S	S	.	.	H	α-helix	trans	-61.6	-46.9	-179.9	169.2	0	0	0	0	110.9	F192 D193 R198 M199 T200	F192-V196 HydrophobicContact CD1-CG2 4.31Å; F192-V196 HydrophobicContact CE1-CG2 3.88Å; F192-V196 HydrophobicContact CE2-CG2 4.39Å; F192-V196 HydrophobicContact CZ-CG2 3.93Å; F192-V196 WeakPolarHBondContact O-CG2 3.48Å; F192-V196 PolarHBondContact O-N 2.79Å; D193-V196 PolarHBondContact O-N 3.19Å; V196-R198 VanDerWaalsContact C-N 3.31Å; V196-R198 PolarHBondContact O-N 3Å; V196-M199 WeakPolarHBondContact O-CB 3.41Å; V196-M199 PolarHBondContact O-N 2.78Å; V196-T200 PolarHBondContact O-N 2.97Å; V196-T200 PolarHBondContact O-OG1 3.04Å
197	Q	72	Confident	70.9	Confident	105 Å²	105	88.3 Å²	88.3	49%	0.491	47%	0.47	S	S	.	.	H	α-helix	trans	-64.7	-33.7	178.2	-69.2	170.7	32.8	0	0	112.5	D193 T200 S201	D193-Q197 WeakPolarHBondContact O-CG 3.3Å; D193-Q197 PolarHBondContact O-N 2.78Å; D193-Q197 PolarHBondContact OD1-NE2 2.64Å; D193-Q197 PolarHBondContact OD2-NE2 2.92Å; Q197-T200 PolarHBondContact O-OG1 2.69Å; Q197-S201 WeakPolarHBondContact O-CB 3.33Å; Q197-S201 PolarHBondContact O-N 2.81Å; Q197-S201 VanDerWaalsContact O-N 3.11Å
198	R	75.1	Confident	72.6	Confident	128 Å²	128	90.2 Å²	90.2	48%	0.483	47%	0.473	S	S	.	.	H	α-helix	trans	-71.2	-38.8	173.5	-155.4	-175.8	-37.2	104.1	7.4	111.6	A194 E195 V196 S201 L202	A194-R198 WeakPolarHBondContact O-CB 3.18Å; A194-R198 PolarHBondContact O-N 2.95Å; A194-R198 VanDerWaalsContact O-N 3.15Å; E195-R198 PolarHBondContact O-N 2.99Å; E195-R198 IonicContact OE1-CZ 3.61Å; E195-R198 IonicContact OE1-NH1 3.63Å; E195-R198 PolarHBondContact OE1-NH1 3.3Å; E195-R198 IonicContact OE1-NH2 2.64Å; E195-R198 PolarHBondContact OE1-NH2 2.85Å; E195-R198 VanDerWaalsContact OE1-NH2 3.09Å; V196-R198 VanDerWaalsContact C-N 3.31Å; V196-R198 PolarHBondContact O-N 3Å; R198-S201 PolarHBondContact O-N 3.23Å; R198-L202 HydrophobicContact CG-CD1 4.27Å; R198-L202 WeakPolarHBondContact O-CB 3.46Å; R198-L202 VanDerWaalsContact O-CG 3.31Å; R198-L202 WeakPolarHBondContact O-CG 3.03Å; R198-L202 PolarHBondContact O-N 2.86Å
199	M	71.7	Confident	74.1	Confident	126 Å²	126	89 Å²	89	62%	0.621	46%	0.461	S	S	*	.	H	α-helix	trans	-65.8	-37.6	175.6	-75.1	-65.9	-62.5	0	0	112.6	E195 V196 A203	E195-M199 WeakPolarHBondContact O-CB 3.21Å; E195-M199 VanDerWaalsContact O-CG 3.28Å; E195-M199 WeakPolarHBondContact O-CG 3.44Å; E195-M199 PolarHBondContact O-N 2.69Å; V196-M199 WeakPolarHBondContact O-CB 3.41Å; V196-M199 PolarHBondContact O-N 2.78Å; M199-A203 WeakPolarHBondContact O-CB 3.29Å; M199-A203 PolarHBondContact O-N 2.79Å
200	T	81.1	Confident	75.6	Confident	69 Å²	69	90.3 Å²	90.3	42%	0.423	46%	0.456	S	S	.	.	H	α-helix	trans	-69.6	-45.1	174	53.9	0	0	0	0	111.5	V196 Q197 L202 A203 E204	V196-T200 PolarHBondContact O-N 2.97Å; V196-T200 PolarHBondContact O-OG1 3.04Å; Q197-T200 PolarHBondContact O-OG1 2.69Å; T200-L202 VanDerWaalsContact C-N 3.34Å; T200-L202 PolarHBondContact O-N 2.95Å; T200-A203 WeakPolarHBondContact O-CB 3.38Å; T200-A203 PolarHBondContact O-N 2.64Å; T200-E204 WeakPolarHBondContact O-CG 3.29Å; T200-E204 PolarHBondContact O-N 3.24Å
201	S	82.3	Confident	77.2	Confident	65 Å²	65	94.5 Å²	94.5	46%	0.455	48%	0.475	S	S	.	.	H	α-helix	trans	-57.4	-45.5	175.6	-171.8	0	0	0	0	112.2	Q197 R198 A203 E204 E205	Q197-S201 WeakPolarHBondContact O-CB 3.33Å; Q197-S201 PolarHBondContact O-N 2.81Å; Q197-S201 VanDerWaalsContact O-N 3.11Å; R198-S201 PolarHBondContact O-N 3.23Å; S201-A203 VanDerWaalsContact C-N 3.32Å; S201-A203 PolarHBondContact O-N 3.04Å; S201-E204 PolarHBondContact O-N 2.83Å; S201-E205 WeakPolarHBondContact O-CB 3.43Å; S201-E205 PolarHBondContact O-N 3.23Å
202	L	80.8	Confident	78.7	Confident	77 Å²	77	96.4 Å²	96.4	40%	0.403	48%	0.484	S	S	.	.	H	α-helix	trans	-67.4	-29.7	176	-74.3	167.9	0	0	0	113	R198 T200 N206	R198-L202 HydrophobicContact CG-CD1 4.27Å; R198-L202 WeakPolarHBondContact O-CB 3.46Å; R198-L202 VanDerWaalsContact O-CG 3.31Å; R198-L202 WeakPolarHBondContact O-CG 3.03Å; R198-L202 PolarHBondContact O-N 2.86Å; T200-L202 VanDerWaalsContact C-N 3.34Å; T200-L202 PolarHBondContact O-N 2.95Å; L202-N206 VanDerWaalsContact O-CB 3.32Å; L202-N206 WeakPolarHBondContact O-CB 3.22Å; L202-N206 PolarHBondContact O-N 3.49Å; L202-N206 PolarHBondContact O-ND2 3.43Å
203	A	84.4	Confident	79.7	Confident	57 Å²	57	94.5 Å²	94.5	47%	0.471	48%	0.48	S	S	.	.	H	α-helix	trans	-70.3	-44.7	174.1	0	0	0	0	0	111.4	M199 T200 S201 N206 E207	M199-A203 WeakPolarHBondContact O-CB 3.29Å; M199-A203 PolarHBondContact O-N 2.79Å; T200-A203 WeakPolarHBondContact O-CB 3.38Å; T200-A203 PolarHBondContact O-N 2.64Å; S201-A203 VanDerWaalsContact C-N 3.32Å; S201-A203 PolarHBondContact O-N 3.04Å; A203-N206 PolarHBondContact O-N 3.39Å; A203-E207 PolarHBondContact O-N 3Å
204	E	90.3	Very high	81	Confident	116 Å²	116	98.5 Å²	98.5	54%	0.542	50%	0.495	S	S	.	.	H	α-helix	trans	-61.5	-43.1	175.3	-70.2	168.1	-155.1	0	0	111.6	T200 S201 E207 Q208	T200-E204 WeakPolarHBondContact O-CG 3.29Å; T200-E204 PolarHBondContact O-N 3.24Å; S201-E204 PolarHBondContact O-N 2.83Å; E204-E207 PolarHBondContact O-N 3.31Å; E204-Q208 WeakPolarHBondContact O-CG 3.39Å; E204-Q208 PolarHBondContact O-N 3.28Å; E204-Q208 PolarHBondContact O-NE2 3.02Å
205	E	86.6	Confident	81.8	Confident	101 Å²	101	98.8 Å²	98.8	47%	0.472	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-42.1	175.2	-173.4	174.3	-157.3	0	0	112	S201 E207 Q208 L209	S201-E205 WeakPolarHBondContact O-CB 3.43Å; S201-E205 PolarHBondContact O-N 3.23Å; E205-E207 VanDerWaalsContact C-N 3.3Å; E205-E207 PolarHBondContact O-N 3.28Å; E205-Q208 PolarHBondContact O-N 2.86Å; E205-L209 HydrophobicContact CG-CD1 4.23Å; E205-L209 WeakPolarHBondContact O-CB 3.29Å; E205-L209 VanDerWaalsContact O-CG 3.31Å; E205-L209 WeakPolarHBondContact O-CG 3.33Å; E205-L209 PolarHBondContact O-N 2.93Å
206	N	83.6	Confident	82.4	Confident	79 Å²	79	98.7 Å²	98.7	42%	0.422	50%	0.5	S	S	.	.	H	α-helix	trans	-63.9	-33.7	173.7	-90.5	-94.1	0	0	0	112.7	L202 A203 R210	L202-N206 VanDerWaalsContact O-CB 3.32Å; L202-N206 WeakPolarHBondContact O-CB 3.22Å; L202-N206 PolarHBondContact O-N 3.49Å; L202-N206 PolarHBondContact O-ND2 3.43Å; A203-N206 PolarHBondContact O-N 3.39Å; N206-R210 WeakPolarHBondContact O-CB 3.43Å; N206-R210 WeakPolarHBondContact O-CD 3.11Å; N206-R210 WeakPolarHBondContact O-CG 3.44Å; N206-R210 PolarHBondContact O-N 3.27Å
207	E	89.7	Confident	82.4	Confident	117 Å²	117	102 Å²	102	55%	0.547	51%	0.511	S	S	.	.	H	α-helix	trans	-70.4	-42.9	176	-168.3	169.4	170.2	0	0	111.4	A203 E204 E205 R210 Q211	A203-E207 PolarHBondContact O-N 3Å; E204-E207 PolarHBondContact O-N 3.31Å; E205-E207 VanDerWaalsContact C-N 3.3Å; E205-E207 PolarHBondContact O-N 3.28Å; E207-R210 PolarHBondContact O-N 3.06Å; E207-Q211 WeakPolarHBondContact O-CG 3.38Å; E207-Q211 PolarHBondContact O-N 3.01Å
208	Q	88.8	Confident	82.4	Confident	119 Å²	119	99.9 Å²	99.9	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-59.7	-46.7	172.9	-70	168.6	44.9	0	0	111.8	E204 E205 R210 Q211 V212	E204-Q208 WeakPolarHBondContact O-CG 3.39Å; E204-Q208 PolarHBondContact O-N 3.28Å; E204-Q208 PolarHBondContact O-NE2 3.02Å; E205-Q208 PolarHBondContact O-N 2.86Å; Q208-R210 VanDerWaalsContact C-N 3.3Å; Q208-R210 PolarHBondContact O-N 2.82Å; Q208-Q211 PolarHBondContact O-N 2.89Å; Q208-Q211 VanDerWaalsContact O-N 3.15Å; Q208-V212 WeakPolarHBondContact O-CG2 3.5Å; Q208-V212 PolarHBondContact O-N 3.13Å
209	L	85.4	Confident	82	Confident	98 Å²	98	99.2 Å²	99.2	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-35	177.1	-71.7	169.8	0	0	0	112.5	E205 V212 L213	E205-L209 HydrophobicContact CG-CD1 4.23Å; E205-L209 WeakPolarHBondContact O-CB 3.29Å; E205-L209 VanDerWaalsContact O-CG 3.31Å; E205-L209 WeakPolarHBondContact O-CG 3.33Å; E205-L209 PolarHBondContact O-N 2.93Å; L209-V212 PolarHBondContact O-N 3.41Å; L209-L213 WeakPolarHBondContact O-CB 3.44Å; L209-L213 WeakPolarHBondContact O-CG 3.39Å; L209-L213 PolarHBondContact O-N 2.94Å
210	R	86.8	Confident	81.3	Confident	171 Å²	171	96 Å²	96	65%	0.645	50%	0.497	S	S	*	.	H	α-helix	trans	-67.4	-39	173	-76.5	166.8	-179.8	166.2	1.8	112.6	N206 E207 Q208 L213 F214	N206-R210 WeakPolarHBondContact O-CB 3.43Å; N206-R210 WeakPolarHBondContact O-CD 3.11Å; N206-R210 WeakPolarHBondContact O-CG 3.44Å; N206-R210 PolarHBondContact O-N 3.27Å; E207-R210 PolarHBondContact O-N 3.06Å; Q208-R210 VanDerWaalsContact C-N 3.3Å; Q208-R210 PolarHBondContact O-N 2.82Å; R210-L213 PolarHBondContact O-N 2.87Å; R210-F214 WeakPolarHBondContact O-CB 3.48Å; R210-F214 PolarHBondContact O-N 3.45Å
211	Q	85.8	Confident	80.2	Confident	117 Å²	117	100.6 Å²	100.6	55%	0.547	51%	0.507	S	S	.	.	H	α-helix	trans	-64.8	-40.9	175.2	-68.8	172.3	17.1	0	0	111.4	E207 Q208 F214 A215	E207-Q211 WeakPolarHBondContact O-CG 3.38Å; E207-Q211 PolarHBondContact O-N 3.01Å; Q208-Q211 PolarHBondContact O-N 2.89Å; Q208-Q211 VanDerWaalsContact O-N 3.15Å; Q211-F214 PolarHBondContact O-N 2.86Å; Q211-A215 PolarHBondContact O-N 2.78Å
212	V	87	Confident	79	Confident	82 Å²	82	103 Å²	103	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-44.8	174.5	173.9	0	0	0	0	111.8	Q208 L209 F214 A215 L216	Q208-V212 WeakPolarHBondContact O-CG2 3.5Å; Q208-V212 PolarHBondContact O-N 3.13Å; L209-V212 PolarHBondContact O-N 3.41Å; V212-F214 VanDerWaalsContact C-N 3.33Å; V212-F214 PolarHBondContact O-N 3.4Å; V212-A215 PolarHBondContact O-N 3.34Å; V212-L216 HydrophobicContact CG1-CD1 3.94Å; V212-L216 WeakPolarHBondContact O-CG 3.34Å; V212-L216 PolarHBondContact O-N 2.82Å
213	L	79.3	Confident	77.7	Confident	103 Å²	103	105.9 Å²	105.9	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-61.4	-39.6	175.2	-78.9	168.6	0	0	0	112.4	L209 R210 Q217	L209-L213 WeakPolarHBondContact O-CB 3.44Å; L209-L213 WeakPolarHBondContact O-CG 3.39Å; L209-L213 PolarHBondContact O-N 2.94Å; R210-L213 PolarHBondContact O-N 2.87Å; L213-Q217 WeakPolarHBondContact O-CB 3.33Å; L213-Q217 WeakPolarHBondContact O-CG 3.31Å; L213-Q217 PolarHBondContact O-N 3.13Å
214	F	84.8	Confident	76.1	Confident	143 Å²	143	110 Å²	110	63%	0.627	53%	0.533	S	S	*	.	H	α-helix	trans	-63.5	-45.8	176.1	-176.3	-96.2	0	0	0	111.5	R210 Q211 V212 L216 Q217 T218	R210-F214 WeakPolarHBondContact O-CB 3.48Å; R210-F214 PolarHBondContact O-N 3.45Å; Q211-F214 PolarHBondContact O-N 2.86Å; V212-F214 VanDerWaalsContact C-N 3.33Å; V212-F214 PolarHBondContact O-N 3.4Å; F214-L216 PolarHBondContact O-N 2.79Å; F214-Q217 PolarHBondContact O-N 2.91Å; F214-T218 PolarHBondContact O-N 3.47Å; F214-T218 PolarHBondContact O-OG1 2.78Å
215	A	81.4	Confident	74.2	Confident	45 Å²	45	109.7 Å²	109.7	37%	0.372	54%	0.535	S	S	.	.	H	α-helix	trans	-59	-48	177.3	0	0	0	0	0	112.3	Q211 V212 Q217 T218 E219	Q211-A215 PolarHBondContact O-N 2.78Å; V212-A215 PolarHBondContact O-N 3.34Å; A215-Q217 VanDerWaalsContact C-N 3.29Å; A215-Q217 PolarHBondContact O-N 2.98Å; A215-T218 WeakPolarHBondContact CA-OG1 3.34Å; A215-T218 PolarHBondContact O-N 3.09Å; A215-T218 VanDerWaalsContact O-N 3.15Å; A215-T218 PolarHBondContact O-OG1 2.54Å; A215-E219 PolarHBondContact O-N 3.12Å
216	L	79.1	Confident	72.4	Confident	91 Å²	91	107.5 Å²	107.5	48%	0.476	54%	0.54	S	S	.	.	H	α-helix	trans	-63.8	-32.2	176.9	-69	168.5	0	0	0	112.7	V212 F214 S220	V212-L216 HydrophobicContact CG1-CD1 3.94Å; V212-L216 WeakPolarHBondContact O-CG 3.34Å; V212-L216 PolarHBondContact O-N 2.82Å; F214-L216 PolarHBondContact O-N 2.79Å; L216-S220 VanDerWaalsContact O-CB 3.28Å; L216-S220 WeakPolarHBondContact O-CB 3.5Å; L216-S220 PolarHBondContact O-N 2.83Å
217	Q	74.9	Confident	70.7	Confident	134 Å²	134	110.4 Å²	110.4	63%	0.626	56%	0.556	S	S	*	*	H	α-helix	trans	-71.3	-33.3	173.7	-78	-178.1	-6.3	0	0	112.8	L213 F214 A215 R221	L213-Q217 WeakPolarHBondContact O-CB 3.33Å; L213-Q217 WeakPolarHBondContact O-CG 3.31Å; L213-Q217 PolarHBondContact O-N 3.13Å; F214-Q217 PolarHBondContact O-N 2.91Å; A215-Q217 VanDerWaalsContact C-N 3.29Å; A215-Q217 PolarHBondContact O-N 2.98Å; Q217-R221 WeakPolarHBondContact O-CB 3.39Å; Q217-R221 PolarHBondContact O-N 2.91Å
218	T	70.6	Confident	68.5	Low	60 Å²	60	113 Å²	113	37%	0.368	57%	0.568	S	S	.	*	H	α-helix	trans	-67.9	-46.9	169.3	30.2	0	0	0	0	112.1	F214 A215 S220 R221 D222	F214-T218 PolarHBondContact O-N 3.47Å; F214-T218 PolarHBondContact O-OG1 2.78Å; A215-T218 WeakPolarHBondContact CA-OG1 3.34Å; A215-T218 PolarHBondContact O-N 3.09Å; A215-T218 VanDerWaalsContact O-N 3.15Å; A215-T218 PolarHBondContact O-OG1 2.54Å; T218-S220 VanDerWaalsContact C-N 3.32Å; T218-S220 PolarHBondContact O-N 3.4Å; T218-R221 WeakPolarHBondContact O-CA 3.28Å; T218-R221 WeakPolarHBondContact O-CB 3.49Å; T218-R221 PolarHBondContact O-N 3.01Å; T218-D222 PolarHBondContact O-N 3.49Å
219	E	67.3	Low	66.3	Low	113 Å²	113	111.7 Å²	111.7	53%	0.528	58%	0.577	S	S	.	*	H	α-helix	trans	-59.6	-41.4	177.2	-69.1	-179.6	160	0	0	112.1	A215 R221 D222 Q223	A215-E219 PolarHBondContact O-N 3.12Å; E219-R221 PolarHBondContact O-N 2.95Å; E219-D222 PolarHBondContact O-N 3.03Å; E219-Q223 VanDerWaalsContact O-CG 3.32Å; E219-Q223 WeakPolarHBondContact O-CG 3.2Å; E219-Q223 PolarHBondContact O-N 2.89Å; E219-Q223 VanDerWaalsContact O-N 3.09Å
220	S	58	Low	64.3	Low	58 Å²	58	112.1 Å²	112.1	41%	0.406	58%	0.584	S	S	.	*	H	α-helix	trans	-66.8	-23.1	175.5	-177.8	0	0	0	0	113.5	L216 T218 K224	L216-S220 VanDerWaalsContact O-CB 3.28Å; L216-S220 WeakPolarHBondContact O-CB 3.5Å; L216-S220 PolarHBondContact O-N 2.83Å; T218-S220 VanDerWaalsContact C-N 3.32Å; T218-S220 PolarHBondContact O-N 3.4Å; S220-K224 WeakPolarHBondContact O-CG 3.45Å; S220-K224 PolarHBondContact O-N 3.34Å
221	R	57.7	Low	61.8	Low	167 Å²	167	112 Å²	112	63%	0.63	59%	0.59	S	S	*	*	H	α-helix	trans	-82.6	-46.1	175.9	-175.7	176.5	178.2	169.5	-0.1	111.5	Q217 T218 E219 Q223 K224 D225	Q217-R221 WeakPolarHBondContact O-CB 3.39Å; Q217-R221 PolarHBondContact O-N 2.91Å; T218-R221 WeakPolarHBondContact O-CA 3.28Å; T218-R221 WeakPolarHBondContact O-CB 3.49Å; T218-R221 PolarHBondContact O-N 3.01Å; E219-R221 PolarHBondContact O-N 2.95Å; R221-Q223 PolarHBondContact O-N 3.09Å; R221-K224 WeakPolarHBondContact O-CB 3.33Å; R221-K224 PolarHBondContact O-N 2.98Å; R221-D225 PolarHBondContact O-N 3.15Å
222	D	56.5	Low	59.5	Low	116 Å²	116	114.3 Å²	114.3	62%	0.62	60%	0.601	S	S	*	*	H	α-helix	trans	-61.7	-30.2	176.7	-65.3	-15.9	0	0	0	111.5	T218 E219	T218-D222 PolarHBondContact O-N 3.49Å; E219-D222 PolarHBondContact O-N 3.03Å
223	Q	52.9	Low	57.2	Low	137 Å²	137	119.5 Å²	119.5	64%	0.64	62%	0.617	S	S	*	*	H	α-helix	trans	-68.4	-38	169.9	-74.5	174	7.5	0	0	113.3	E219 R221 G226	E219-Q223 VanDerWaalsContact O-CG 3.32Å; E219-Q223 WeakPolarHBondContact O-CG 3.2Å; E219-Q223 PolarHBondContact O-N 2.89Å; E219-Q223 VanDerWaalsContact O-N 3.09Å; R221-Q223 PolarHBondContact O-N 3.09Å; Q223-G226 PolarHBondContact O-N 2.73Å
224	K	52.4	Low	55.6	Low	144 Å²	144	121.4 Å²	121.4	63%	0.626	63%	0.627	S	S	*	*	H	α-helix	trans	-70.5	-40.8	178.6	-79.1	177	177.2	179	0	112.7	S220 R221 G226 D227	S220-K224 WeakPolarHBondContact O-CG 3.45Å; S220-K224 PolarHBondContact O-N 3.34Å; R221-K224 WeakPolarHBondContact O-CB 3.33Å; R221-K224 PolarHBondContact O-N 2.98Å; K224-G226 PolarHBondContact O-N 3.49Å; K224-G226 VanDerWaalsContact O-N 3.15Å; K224-D227 PolarHBondContact O-N 3.04Å; K224-D227 VanDerWaalsContact O-N 3.1Å
225	D	50.1	Low	53.5	Low	108 Å²	108	118.9 Å²	118.9	58%	0.578	63%	0.625	S	S	*	*	H	α-helix	trans	-66.9	-12.7	177.1	-67.1	-1.9	0	0	0	111.7	R221	R221-D225 PolarHBondContact O-N 3.15Å
226	G	49.2	Very low	51.8	Low	56 Å²	56	123.7 Å²	123.7	58%	0.577	64%	0.643	S	S	*	*	H	α-helix	trans	-85.7	-25.1	170.8	0	0	0	0	0	115.9	Q223 K224	Q223-G226 PolarHBondContact O-N 2.73Å; K224-G226 PolarHBondContact O-N 3.49Å; K224-G226 VanDerWaalsContact O-N 3.15Å
227	D	48	Very low	50.4	Low	140 Å²	140	128.8 Å²	128.8	75%	0.749	66%	0.658	S	S	*	*	H	α-helix	trans	-97.7	-3.6	-171.7	-94.2	-15.8	0	0	0	114.5	K224 A229	K224-D227 PolarHBondContact O-N 3.04Å; K224-D227 VanDerWaalsContact O-N 3.1Å; D227-A229 PolarHBondContact O-N 3.38Å
228	E	42.2	Very low	49.4	Very low	171 Å²	171	125.4 Å²	125.4	80%	0.799	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	3.9	-179.4	-72.8	-144.8	130.4	0	0	115.3	V230	E228-V230 PolarHBondContact O-N 3.03Å
229	A	43.8	Very low	48.3	Very low	92 Å²	92	129.7 Å²	129.7	76%	0.76	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-13.5	-175.5	0	0	0	0	0	115.8	D227	D227-A229 PolarHBondContact O-N 3.38Å
230	V	42.7	Very low	47.3	Very low	106 Å²	106	130.8 Å²	130.8	64%	0.642	67%	0.671	S	S	*	*			trans	-131	87	-172.2	-168.8	0	0	0	0	113.4	E228 H232	E228-V230 PolarHBondContact O-N 3.03Å; V230-H232 PolarHBondContact O-N 3.32Å
231	Q	33.9	Very low	46.6	Very low	168 Å²	168	134.3 Å²	134.3	79%	0.785	68%	0.683	S	S	*	*			trans	-73.8	103.4	171.8	-74.5	-167.7	-0.3	0	0	113
232	H	38.5	Very low	46.2	Very low	167 Å²	167	133.2 Å²	133.2	77%	0.773	69%	0.689	S	S	*	*			trans	-98.2	107.2	158.2	-76.6	-67	0	0	0	110.7	V230 L234	V230-H232 PolarHBondContact O-N 3.32Å; H232-L234 PolarHBondContact O-N 3.39Å
233	K	38.6	Very low	45.9	Very low	190 Å²	190	138.1 Å²	138.1	83%	0.826	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-71.9	118.7	177.2	-72.8	-179.4	176.3	176.2	0	111.3
234	L	44.2	Very low	45.6	Very low	144 Å²	144	138.9 Å²	138.9	75%	0.754	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-78.9	155.9	170.8	-71	171.1	0	0	0	112	H232	H232-L234 PolarHBondContact O-N 3.39Å
235	P	41.9	Very low	45.2	Very low	90 Å²	90	134.7 Å²	134.7	58%	0.584	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-69.9	149.2	-176.4	-20.8	34.5	0	0	0	114.6	Y237 V238	P235-Y237 PolarHBondContact O-N 3.48Å; P235-V238 PolarHBondContact O-N 3.15Å
236	L	44.8	Very low	44.9	Very low	145 Å²	145	135.5 Å²	135.5	76%	0.759	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-11.4	-171.9	-77.2	162.7	0	0	0	117.1
237	Y	51	Low	44.7	Very low	199 Å²	199	137.7 Å²	137.7	78%	0.78	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-22.8	179.3	107.7	-96.8	0	0	0	113.3	P235 Q239	P235-Y237 PolarHBondContact O-N 3.48Å; Y237-Q239 VanDerWaalsContact C-N 3.28Å; Y237-Q239 PolarHBondContact O-N 2.99Å
238	V	52.8	Low	44.5	Very low	62 Å²	62	138.2 Å²	138.2	38%	0.376	71%	0.709	S	S	.	*	G	3₁₀ helix	trans	-73.9	-20.6	-177.7	-175.2	0	0	0	0	112.1	P235 N240	P235-V238 PolarHBondContact O-N 3.15Å; V238-N240 PolarHBondContact O-N 3.37Å
239	Q	47.6	Very low	44.5	Very low	151 Å²	151	136.7 Å²	136.7	71%	0.706	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-69.1	0.3	-166.5	-148.5	170.1	19.6	0	0	116	Y237	Y237-Q239 VanDerWaalsContact C-N 3.28Å; Y237-Q239 PolarHBondContact O-N 2.99Å
240	N	46.7	Very low	44.1	Very low	136 Å²	136	138.5 Å²	138.5	73%	0.727	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-121.9	7.6	-172	-74.9	-20.3	0	0	0	115.1	V238	V238-N240 PolarHBondContact O-N 3.37Å
241	M	44	Very low	44.1	Very low	132 Å²	132	139.9 Å²	139.9	65%	0.65	71%	0.706	S	S	*	*	S	Bend	trans	-95.5	-28.2	-178.2	-67.4	-85.9	66.6	0	0	114.7	R243	M241-R243 PolarHBondContact O-N 2.99Å
242	D	49.1	Very low	44.5	Very low	143 Å²	143	137.9 Å²	137.9	77%	0.765	71%	0.705	S	S	*	*	S	Bend	trans	-83	50.4	-174.9	-57.2	-35.4	0	0	0	113.2
243	R	50.3	Low	44.4	Very low	220 Å²	220	133.9 Å²	133.9	83%	0.83	70%	0.696	S	S	*	*			trans	-141	32.5	179.4	-73	-163.5	172.4	-166.2	-2.7	114.9	M241	M241-R243 PolarHBondContact O-N 2.99Å
244	L	45.4	Very low	44.3	Very low	153 Å²	153	129.3 Å²	129.3	80%	0.801	69%	0.688	S	S	*	*	S	Bend	trans	-125.4	0.3	173.8	-74.8	168.9	0	0	0	114.3
245	G	45.4	Very low	44.1	Very low	56 Å²	56	130.4 Å²	130.4	58%	0.577	69%	0.689	S	S	*	*	S	Bend	trans	-93.7	-39.2	176.7	0	0	0	0	0	114.7	T247	G245-T247 PolarHBondContact O-N 2.92Å
246	D	43.6	Very low	43.7	Very low	124 Å²	124	137.1 Å²	137.1	66%	0.663	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-83.3	-13.7	-159.9	-57.9	-29.1	0	0	0	115.1	E248	D246-E248 VanDerWaalsContact C-N 3.33Å; D246-E248 PolarHBondContact O-N 3.25Å
247	T	45.2	Very low	42.9	Very low	103 Å²	103	137.6 Å²	137.6	63%	0.632	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-76	-11.8	-173.1	43.7	0	0	0	0	115.5	G245	G245-T247 PolarHBondContact O-N 2.92Å
248	E	42.6	Very low	42.3	Very low	151 Å²	151	133.7 Å²	133.7	71%	0.706	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-88.7	-26.9	177.1	-74.2	-81.3	121	0	0	112.9	D246	D246-E248 VanDerWaalsContact C-N 3.33Å; D246-E248 PolarHBondContact O-N 3.25Å
249	L	41.5	Very low	41	Very low	139 Å²	139	136.6 Å²	136.6	73%	0.728	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-36.6	-176.1	-106	73	0	0	0	113.4	L251 V252	L249-L251 PolarHBondContact O-N 2.99Å; L249-V252 PolarHBondContact O-N 3.35Å
250	D	37.2	Very low	40.2	Very low	129 Å²	129	133.6 Å²	133.6	69%	0.69	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-12.3	-174.8	-100.7	-7.7	0	0	0	114.5	S253	D250-S253 PolarHBondContact O-OG 3.42Å
251	L	42.1	Very low	39.2	Very low	135 Å²	135	132.1 Å²	132.1	71%	0.707	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-15.3	175.3	-82.3	165.5	0	0	0	113.7	L249	L249-L251 PolarHBondContact O-N 2.99Å
252	V	42.8	Very low	38.5	Very low	126 Å²	126	130.8 Å²	130.8	76%	0.764	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-24.6	-177.5	-174.9	0	0	0	0	112.3	L249	L249-V252 PolarHBondContact O-N 3.35Å
253	S	34.8	Very low	37.4	Very low	84 Å²	84	130.4 Å²	130.4	59%	0.587	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-21.1	-176.2	60.2	0	0	0	0	114.7	D250 Q255	D250-S253 PolarHBondContact O-OG 3.42Å; S253-Q255 PolarHBondContact O-N 3.29Å
254	S	37	Very low	36.6	Very low	94 Å²	94	125.7 Å²	125.7	66%	0.657	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	0.7	-165.8	61.2	0	0	0	0	116.5
255	Q	39.4	Very low	35.8	Very low	167 Å²	167	123.4 Å²	123.4	78%	0.78	75%	0.746	S	S	*	*	S	Bend	trans	-128	73.6	175.9	-69.3	-163.1	15.2	0	0	114.4	S253	S253-Q255 PolarHBondContact O-N 3.29Å
256	R	34	Very low	35	Very low	231 Å²	231	132 Å²	132	87%	0.872	76%	0.761	S	S	*	*				171.1	105.7	128	-90.2	152.3	-169.8	-167.3	4.1	112.5
257	V	28.7	Very low	34.2	Very low	155 Å²	155	132.7 Å²	132.7	94%	0.939	77%	0.765	S	S	*	*			trans	-125.1	147.1	153.6	-179.9	0	0	0	0	107.6
258	V	38.3	Very low	33.5	Very low	116 Å²	116	137.2 Å²	137.2	70%	0.703	78%	0.776	S	S	*	*			trans	-119.8	143.5	-158.4	174.8	0	0	0	0	111.9	A260	V258-A260 HydrophobicContact CG1-CB 4.21Å
259	S	26.2	Very low	32.7	Very low	124 Å²	124	139.8 Å²	139.8	87%	0.867	79%	0.786	S	S	*	*			trans	-163.1	112.3	152.2	-77.7	0	0	0	0	107.7
260	A	30	Very low	32	Very low	88 Å²	88	137.8 Å²	137.8	73%	0.727	78%	0.783	S	S	*	*			cis	85.1	95.2	32.5	0	0	0	0	0	115	V258	V258-A260 HydrophobicContact CG1-CB 4.21Å
261	A	26.3	Very low	31.5	Very low	104 Å²	104	136.9 Å²	136.9	86%	0.86	78%	0.783	S	S	*	*			trans	177.3	109.9	144.1	0	0	0	0	0	112.8
262	A	28.3	Very low	30.8	Very low	105 Å²	105	138.4 Å²	138.4	87%	0.868	79%	0.79	S	S	*	*			trans	178.8	136.9	146.5	0	0	0	0	0	111.6
263	T	26.8	Very low	30.2	Very low	135 Å²	135	140.1 Å²	140.1	83%	0.828	80%	0.795	S	S	*	*			trans	-113.6	177.8	174.2	56.4	0	0	0	0	109.7
264	P	33.2	Very low	30.6	Very low	120 Å²	120	141.3 Å²	141.3	78%	0.779	80%	0.8	S	S	*	*			cis	-130.2	-170.6	-5.2	27.3	-2.7	0	0	0	114.7
265	S	28.7	Very low	30.1	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	81%	0.809	S	S	*	*			trans	-52.5	154.4	178.6	55.1	0	0	0	0	118.8
266	R	27.5	Very low	29.5	Very low	236 Å²	236	140.9 Å²	140.9	89%	0.891	80%	0.8	S	S	*	*				-162.8	149.9	122.4	-115.8	174.9	179.8	-179.7	-0	116.3
267	N	28.6	Very low	29.1	Very low	138 Å²	138	139.1 Å²	139.1	74%	0.738	80%	0.798	S	S	*	*			trans	-50.2	148.7	176.7	-36	-31.6	0	0	0	114.7
268	F	29.8	Very low	29	Very low	199 Å²	199	143.5 Å²	143.5	87%	0.873	80%	0.798	S	S	*	*			trans	-150.6	120.1	142.8	-100.1	-70.7	0	0	0	112.9
269	F	25.1	Very low	28.4	Very low	205 Å²	205	142.2 Å²	142.2	90%	0.899	80%	0.8	S	S	*	*			trans	-153.9	145.1	158.3	-120.8	-72.7	0	0	0	107.4
270	S	26.5	Very low	29	Very low	97 Å²	97	141.5 Å²	141.5	68%	0.678	79%	0.792	S	S	*	*			trans	66.2	152.7	-164.8	80.5	0	0	0	0	113.4
271	T	27.6	Very low	28.7	Very low	110 Å²	110	145.8 Å²	145.8	68%	0.675	80%	0.8	S	S	*	*			cis	-143.1	147.8	16.5	34.9	0	0	0	0	114.3
272	L	26.9	Very low	28.8	Very low	166 Å²	166	150.9 Å²	150.9	87%	0.869	80%	0.802	S	S	*	*			trans	56.8	131.9	135.2	-60	168.8	0	0	0	122.6
273	L	30.1	Very low	28.6	Very low	163 Å²	163	150.1 Å²	150.1	85%	0.853	80%	0.796	S	S	*	*			trans	-70.2	172.7	149.6	-71.8	164.5	0	0	0	110.8
274	P	43	Very low	29.6	Very low	109 Å²	109	149.4 Å²	149.4	71%	0.708	79%	0.793	S	S	*	*			cis	-132.5	177.9	0.5	39.4	-23	0	0	0	114.8
275	Q	28.1	Very low	30.5	Very low	180 Å²	180	148.9 Å²	148.9	84%	0.841	79%	0.79	S	S	*	*				173.6	126	124.5	-85.2	-113.6	16.1	0	0	114.9
276	A	25.1	Very low	30.5	Very low	71 Å²	71	149.8 Å²	149.8	59%	0.587	79%	0.791	S	S	*	*			trans	27.4	130.3	136.7	0	0	0	0	0	124.8
277	K	27.1	Very low	30.6	Very low	194 Å²	194	143.8 Å²	143.8	84%	0.843	79%	0.786	S	S	*	*			trans	92.9	124	130.8	-77.3	167.1	-176.2	170.9	0	122.9
278	R	25.4	Very low	30.6	Very low	247 Å²	247	140.5 Å²	140.5	93%	0.932	79%	0.785	S	S	*	*			trans	88.1	130.8	145.7	-72.7	177.8	171.1	175.1	-4.3	119.9
279	A	26.7	Very low	30.7	Very low	90 Å²	90	137 Å²	137	74%	0.744	79%	0.785	S	S	*	*			trans	-97.2	-174.7	167.5	0	0	0	0	0	110.6
280	P	37.9	Very low	31.8	Very low	109 Å²	109	132.9 Å²	132.9	71%	0.708	78%	0.779	S	S	*	*				-153.9	154.4	90.6	39.2	-20.6	0	0	0	118.8
281	M	25.3	Very low	31.9	Very low	178 Å²	178	133.4 Å²	133.4	88%	0.877	78%	0.782	S	S	*	*			trans	52	126.8	137.7	-62.2	170.8	178.4	0	0	122.9
282	K	27	Very low	32.1	Very low	211 Å²	211	136.5 Å²	136.5	92%	0.917	79%	0.789	S	S	*	*				-163.1	160.3	100.3	-106.4	177.6	-177.8	-179.4	0	113.7
283	A	25	Very low	32.2	Very low	89 Å²	89	133 Å²	133	74%	0.736	78%	0.784	S	S	*	*			trans	-148.7	-160.4	174.8	0	0	0	0	0	106
284	P	47.2	Very low	32.1	Very low	119 Å²	119	129.9 Å²	129.9	77%	0.773	78%	0.782	S	S	*	*			cis	-128.6	-135	-9.1	42.3	-21.1	0	0	0	108.8
285	P	52.4	Low	31.5	Very low	110 Å²	110	133.3 Å²	133.3	71%	0.714	79%	0.793	S	S	*	*			cis	-120.2	-170.6	-26.7	34.7	-13.5	0	0	0	112.2
286	T	28.3	Very low	31.4	Very low	124 Å²	124	127.8 Å²	127.8	76%	0.761	78%	0.784	S	S	*	*			cis	-129.1	-161.9	15.2	58.9	0	0	0	0	111
287	S	29.2	Very low	31.6	Very low	111 Å²	111	136.1 Å²	136.1	78%	0.776	80%	0.8	S	S	*	*			cis	-157.7	-177.3	1.8	7.3	0	0	0	0	110.5
288	G	28	Very low	31.6	Very low	69 Å²	69	134.9 Å²	134.9	71%	0.711	80%	0.795	S	S	*	*			trans	-81.6	-176.7	172.8	0	0	0	0	0	115
289	S	33.3	Very low	31.5	Very low	126 Å²	126	130.6 Å²	130.6	88%	0.881	79%	0.785	S	S	*	*			cis	-151.9	170.2	20	-67.8	0	0	0	0	113.3
290	P	47.1	Very low	31.6	Very low	118 Å²	118	134 Å²	134	77%	0.766	79%	0.791	S	S	*	*			trans	-128.5	-172.6	-150.8	44.8	-33	0	0	0	118.8
291	S	29.7	Very low	31.8	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	79%	0.793	S	S	*	*			trans	95.8	147.7	157.5	88.7	0	0	0	0	117.6
292	Q	31.3	Very low	31.9	Very low	175 Å²	175	129.8 Å²	129.8	82%	0.818	78%	0.783	S	S	*	*			cis	-142.4	168.8	3.4	-67.8	-174.5	5.9	0	0	113.1
293	A	29	Very low	31.9	Very low	94 Å²	94	126.3 Å²	126.3	78%	0.777	77%	0.774	S	S	*	*			trans	35.4	149.1	138.6	0	0	0	0	0	123.4
294	A	27.9	Very low	32	Very low	96 Å²	96	130.4 Å²	130.4	79%	0.793	78%	0.778	S	S	*	*			cis	-167.1	179.8	-9.7	0	0	0	0	0	113.3
295	L	30	Very low	31	Very low	182 Å²	182	128.5 Å²	128.5	95%	0.953	77%	0.772	S	S	*	*			trans	-52.4	165.6	178.5	-58.7	138.2	0	0	0	116.2
296	G	26.8	Very low	29.8	Very low	63 Å²	63	130 Å²	130	65%	0.649	78%	0.779	S	S	*	*			cis	153	176.9	-3.8	0	0	0	0	0	114.3
297	R	28.7	Very low	29.6	Very low	246 Å²	246	133.2 Å²	133.2	93%	0.928	78%	0.783	S	S	*	*			trans	70.5	139.6	178	-60	178.3	173.7	172.1	-3.5	116.8
298	K	27.1	Very low	29.4	Very low	169 Å²	169	133.2 Å²	133.2	74%	0.735	78%	0.783	S	S	*	*			cis	93.3	109.4	11.1	-165.6	-136.2	173.7	-157.9	0	116.5
299	E	23.5	Very low	29.2	Very low	156 Å²	156	138 Å²	138	73%	0.729	78%	0.784	S	S	*	*				179.5	177.2	121.4	-99.1	169.4	-161.1	0	0	116.2
300	L	27.9	Very low	28.7	Very low	163 Å²	163	138.2 Å²	138.2	85%	0.853	77%	0.771	S	S	*	*			trans	-118.4	-178.5	-178.1	-80.1	166.6	0	0	0	108.1
301	P	43.9	Very low	27.7	Very low	117 Å²	117	140.1 Å²	140.1	76%	0.76	77%	0.774	S	S	*	*			cis	-157.5	-172.6	28.1	46.6	-23.5	0	0	0	120.3
302	A	27.2	Very low	27.4	Very low	80 Å²	80	139.9 Å²	139.9	66%	0.661	77%	0.772	S	S	*	*			trans	73.9	132.5	136.5	0	0	0	0	0	126.2
303	N	27.2	Very low	27.2	Very low	138 Å²	138	140.3 Å²	140.3	74%	0.738	77%	0.774	S	S	*	*			trans	86.2	122.3	136.7	-70.7	2	0	0	0	124.8
304	H	27.2	Very low	26.9	Very low	176 Å²	176	141.4 Å²	141.4	82%	0.815	78%	0.776	S	S	*	*			trans	47.7	147.9	137.3	-63.9	-65.5	0	0	0	122.5
305	A	26	Very low	26.8	Very low	78 Å²	78	145.1 Å²	145.1	65%	0.645	77%	0.774	S	S	*	*			cis	-174.6	-174	-14	0	0	0	0	0	110.9
306	V	26.3	Very low	26.6	Very low	143 Å²	143	143.3 Å²	143.3	87%	0.867	76%	0.761	S	S	*	*			trans	95.8	152.9	160.1	-170.3	0	0	0	0	118.5
307	K	24.7	Very low	26.5	Very low	191 Å²	191	146.7 Å²	146.7	83%	0.83	77%	0.768	S	S	*	*			trans	-71.1	165.7	-173.1	-57.5	167.3	179.9	172.8	0	112.3
308	S	23.8	Very low	26.3	Very low	111 Å²	111	144.3 Å²	144.3	78%	0.776	77%	0.765	S	S	*	*				-171.1	152.6	53.6	-55.9	0	0	0	0	116.5
309	K	25.1	Very low	26.2	Very low	169 Å²	169	140.8 Å²	140.8	74%	0.735	77%	0.767	S	S	*	*			trans	27.3	135.4	146.8	-91.5	-173.8	149.1	-140	0	124.8
310	E	23.1	Very low	26.3	Very low	131 Å²	131	138 Å²	138	61%	0.612	77%	0.771	S	S	*	*			trans	84.9	119.1	131.6	-77.3	171.1	166.6	0	0	124.2
311	L	25.1	Very low	26.2	Very low	157 Å²	157	135.2 Å²	135.2	82%	0.822	77%	0.765	S	S	*	*			trans	64.5	146.3	135	-63.7	167.5	0	0	0	119.3
312	S	24.3	Very low	25.2	Very low	102 Å²	102	134.5 Å²	134.5	71%	0.713	76%	0.762	S	S	*	*			cis	-160.2	155.7	11.8	44.2	0	0	0	0	115.7
313	Q	25.4	Very low	25.1	Very low	185 Å²	185	139.2 Å²	139.2	86%	0.864	77%	0.77	S	S	*	*			trans	17.2	135.9	148.4	-59.1	-179.4	-4.6	0	0	125
314	S	23.5	Very low	25.1	Very low	116 Å²	116	137.6 Å²	137.6	81%	0.811	77%	0.77	S	S	*	*			trans	177	141.3	131.1	33	0	0	0	0	108.3
315	K	25.4	Very low	25	Very low	175 Å²	175	133.7 Å²	133.7	76%	0.761	76%	0.762	S	S	*	*			cis	67.4	131.5	32.3	-77.4	-153.1	165	-150	0	114.5
316	E	25.8	Very low	25	Very low	143 Å²	143	135.3 Å²	135.3	67%	0.668	77%	0.769	S	S	*	*			cis	-149.3	178.2	-4.9	-101.2	170.6	-174.9	0	0	107.6
317	V	24.3	Very low	24.9	Very low	134 Å²	134	134.6 Å²	134.6	81%	0.812	77%	0.77	S	S	*	*				172.5	159.7	84.6	164.7	0	0	0	0	111
318	K	24.8	Very low	24.8	Very low	196 Å²	196	134.3 Å²	134.3	85%	0.852	77%	0.772	S	S	*	*			trans	-55.1	179	171.2	-79.4	177.4	177.2	176.3	0	117.5
319	A	26.5	Very low	25.7	Very low	95 Å²	95	134.1 Å²	134.1	79%	0.785	77%	0.768	S	S	*	*			cis	-177.8	169.7	-23.3	0	0	0	0	0	111.4
320	A	24.3	Very low	26.3	Very low	99 Å²	99	131.1 Å²	131.1	82%	0.818	77%	0.766	S	S	*	*			trans	-175	158.3	163.9	0	0	0	0	0	110
321	S	25.4	Very low	26.3	Very low	104 Å²	104	130 Å²	130	73%	0.727	77%	0.772	S	S	*	*			cis	-161.7	163.2	-4.3	42.2	0	0	0	0	112.8
322	C	22.9	Very low	26.4	Very low	101 Å²	101	128.5 Å²	128.5	68%	0.682	78%	0.775	S	S	*	*			trans	50.2	121	150.6	-63.3	0	0	0	0	122.1
323	Q	26.3	Very low	26.5	Very low	179 Å²	179	131.7 Å²	131.7	84%	0.836	78%	0.779	S	S	*	*				74	142.8	75	-72.7	174.3	-10.9	0	0	114.6
324	S	26.4	Very low	26.7	Very low	105 Å²	105	129.1 Å²	129.1	73%	0.734	78%	0.778	S	S	*	*			cis	-165.4	-166.7	-13.7	61.8	0	0	0	0	107.1
325	S	26.5	Very low	26.9	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	78%	0.778	S	S	*	*			cis	-170.7	116.9	-2.6	21.9	0	0	0	0	105.8
326	S	24.9	Very low	26.9	Very low	113 Å²	113	128.2 Å²	128.2	79%	0.79	78%	0.781	S	S	*	*				85.1	115.7	74.9	70.8	0	0	0	0	116.8
327	S	23.7	Very low	27.1	Very low	128 Å²	128	129.2 Å²	129.2	90%	0.895	79%	0.79	S	S	*	*			trans	-162.6	157.6	148.8	43.2	0	0	0	0	111.8
328	E	23.6	Very low	27.4	Very low	184 Å²	184	129.1 Å²	129.1	86%	0.86	79%	0.785	S	S	*	*			trans	-144.1	-179.8	-161.3	-97.7	-169.1	150.4	0	0	109.7
329	P	41.4	Very low	27.7	Very low	107 Å²	107	129.7 Å²	129.7	70%	0.695	79%	0.79	S	S	*	*			cis	-131.5	-139.8	-36.6	39.5	-19.6	0	0	0	108.1
330	P	38.1	Very low	28.2	Very low	106 Å²	106	129.5 Å²	129.5	69%	0.688	78%	0.783	S	S	*	*			cis	-132	179.9	-23.3	39.4	-21.9	0	0	0	116.3
331	S	23.8	Very low	28.8	Very low	107 Å²	107	129 Å²	129	75%	0.748	77%	0.773	S	S	*	*			trans	78.5	100.3	149.1	68.6	0	0	0	0	121.4
332	S	26.5	Very low	29.3	Very low	127 Å²	127	134.7 Å²	134.7	89%	0.888	78%	0.779	S	S	*	*				-174.8	161.7	109.7	36.8	0	0	0	0	111.6
333	Q	27.3	Very low	29.9	Very low	169 Å²	169	137.7 Å²	137.7	79%	0.79	78%	0.783	S	S	*	*			trans	-90.4	153.7	-176.5	-96.2	-178.9	6	0	0	111.5
334	P	30.4	Very low	30.3	Very low	130 Å²	130	138.3 Å²	138.3	84%	0.844	78%	0.777	S	S	*	*				-139.7	-178.6	80.5	36.8	-19	0	0	0	116.1
335	Q	26.7	Very low	30.8	Very low	172 Å²	172	142.6 Å²	142.6	80%	0.804	78%	0.778	S	S	*	*			trans	-86.6	154.6	-164.8	-60.3	152.2	-6.7	0	0	113.6
336	A	26.5	Very low	31.6	Very low	100 Å²	100	143.4 Å²	143.4	83%	0.826	77%	0.773	S	S	*	*			trans	-123.1	143.2	163.5	0	0	0	0	0	110.1
337	L	29.1	Very low	32.2	Very low	165 Å²	165	145 Å²	145	86%	0.864	77%	0.768	S	S	*	*			trans	-103.5	156.5	-171.9	-86.4	166.5	0	0	0	114.1	H339	L337-H339 PolarHBondContact O-N 2.95Å
338	N	29.6	Very low	32.9	Very low	131 Å²	131	144.2 Å²	144.2	70%	0.701	75%	0.751	S	S	*	*			trans	-74.8	120.4	-161	-73.9	-58.8	0	0	0	116	S340	N338-S340 VanDerWaalsContact C-N 3.31Å; N338-S340 PolarHBondContact O-N 3.37Å; N338-S340 VanDerWaalsContact O-N 3.1Å
339	H	32.8	Very low	33.6	Very low	209 Å²	209	142.1 Å²	142.1	97%	0.968	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	72.2	158.1	-108.4	-94.4	0	0	0	111.2	L337	L337-H339 PolarHBondContact O-N 2.95Å
340	S	36.1	Very low	33.4	Very low	90 Å²	90	143.6 Å²	143.6	63%	0.629	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.9	-12.7	176.5	66	0	0	0	0	116.5	N338	N338-S340 VanDerWaalsContact C-N 3.31Å; N338-S340 PolarHBondContact O-N 3.37Å; N338-S340 VanDerWaalsContact O-N 3.1Å
341	S	36.7	Very low	33.4	Very low	89 Å²	89	146.3 Å²	146.3	62%	0.622	74%	0.739	S	S	*	*	S	Bend	trans	-82.1	-17.3	-172	56.1	0	0	0	0	115.6
342	R	36.3	Very low	34.2	Very low	224 Å²	224	147.3 Å²	147.3	85%	0.845	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-28.3	-164.9	-136	174.6	-171.3	172.8	2.1	115.7
343	H	35.3	Very low	34.7	Very low	164 Å²	164	151.3 Å²	151.3	76%	0.759	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-25.7	178.3	-87	-61.7	0	0	0	114
344	R	35.1	Very low	35.2	Very low	192 Å²	192	151.6 Å²	151.6	73%	0.725	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-35.6	-173.8	-161.1	168.2	-178.3	162.2	0.6	113.4	I346	R344-I346 VanDerWaalsContact C-N 3.29Å; R344-I346 PolarHBondContact O-N 2.92Å
345	R	37.2	Very low	35.5	Very low	195 Å²	195	153.1 Å²	153.1	74%	0.736	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-19.2	178.4	-75.8	-173.8	172.7	178.6	-2.2	114.9
346	I	42.8	Very low	35.8	Very low	109 Å²	109	152.2 Å²	152.2	56%	0.559	72%	0.722	S	S	*	*	H	α-helix	trans	-77	-33.4	-177.7	-61.3	176	0	0	0	110.9	R344 E348	R344-I346 VanDerWaalsContact C-N 3.29Å; R344-I346 PolarHBondContact O-N 2.92Å; I346-E348 PolarHBondContact O-N 3.39Å
347	Q	37	Very low	36.2	Very low	146 Å²	146	156.8 Å²	156.8	68%	0.682	72%	0.723	S	S	*	*	H	α-helix	trans	-78.1	-14.1	-179.8	-80.8	-175.3	-26.6	0	0	114.8
348	E	39.1	Very low	36.1	Very low	113 Å²	113	153 Å²	153	53%	0.528	71%	0.711	S	S	.	*	H	α-helix	trans	-82.2	-44.3	-179.6	-72	167.6	159.1	0	0	110.9	I346 E350 K351	I346-E348 PolarHBondContact O-N 3.39Å; E348-E350 VanDerWaalsContact C-N 3.27Å; E348-E350 PolarHBondContact O-N 2.94Å; E348-K351 PolarHBondContact O-N 3.44Å; E348-K351 VanDerWaalsContact O-N 3.09Å
349	H	38.7	Very low	36.1	Very low	139 Å²	139	158.8 Å²	158.8	64%	0.644	72%	0.723	S	S	*	*	H	α-helix	trans	-66.6	-18.7	177.2	-81.5	-49.6	0	0	0	115.3	K351 E352	H349-K351 VanDerWaalsContact C-N 3.34Å; H349-E352 IonicContact ND1-OE2 3.32Å; H349-E352 PolarHBondContact ND1-OE2 3.07Å
350	E	36.5	Very low	36	Very low	138 Å²	138	154.7 Å²	154.7	65%	0.645	72%	0.715	S	S	*	*	H	α-helix	trans	-77.8	-16.5	172.9	-70.3	-162.8	127	0	0	113.6	E348	E348-E350 VanDerWaalsContact C-N 3.27Å; E348-E350 PolarHBondContact O-N 2.94Å
351	K	38.3	Very low	35.6	Very low	164 Å²	164	154.9 Å²	154.9	71%	0.713	72%	0.722	S	S	*	*	H	α-helix	trans	-83.5	-49.9	176.7	-86.1	-172.1	168.3	-172.6	0	112.7	E348 H349 R353 K354	E348-K351 PolarHBondContact O-N 3.44Å; E348-K351 VanDerWaalsContact O-N 3.09Å; H349-K351 VanDerWaalsContact C-N 3.34Å; K351-R353 PolarHBondContact O-N 3.04Å; K351-R353 VanDerWaalsContact O-N 3.1Å; K351-K354 PolarHBondContact O-N 3.49Å
352	E	39.8	Very low	35.2	Very low	128 Å²	128	156.8 Å²	156.8	60%	0.598	73%	0.732	S	S	*	*	H	α-helix	trans	-56.8	-30.9	-179.5	-62.5	179.6	137.9	0	0	112.1	H349 K354	H349-E352 IonicContact ND1-OE2 3.32Å; H349-E352 PolarHBondContact ND1-OE2 3.07Å; E352-K354 PolarHBondContact O-N 3.11Å
353	R	37.3	Very low	34.6	Very low	211 Å²	211	155.1 Å²	155.1	80%	0.796	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-0.5	179.3	-132.6	175.1	-171.3	177.8	2.8	115.3	K351	K351-R353 PolarHBondContact O-N 3.04Å; K351-R353 VanDerWaalsContact O-N 3.1Å
354	K	37.3	Very low	34.2	Very low	175 Å²	175	152 Å²	152	76%	0.761	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	-10.6	179.1	-80.3	-178.2	174.3	173.2	0	115.5	K351 E352	K351-K354 PolarHBondContact O-N 3.49Å; E352-K354 PolarHBondContact O-N 3.11Å
355	E	36.8	Very low	33.6	Very low	161 Å²	161	147.1 Å²	147.1	75%	0.752	74%	0.737	S	S	*	*	S	Bend	trans	-94.9	-6.7	-179.2	-61.5	-167.6	162	0	0	113.8
356	L	33.8	Very low	33.1	Very low	154 Å²	154	147 Å²	147	81%	0.806	75%	0.745	S	S	*	*	S	Bend	trans	-89.6	5	179.7	-70	171.2	0	0	0	115.2
357	F	34.1	Very low	32.2	Very low	196 Å²	196	147.9 Å²	147.9	86%	0.86	76%	0.761	S	S	*	*	S	Bend	trans	-117.9	42	-178.6	-82.4	-73	0	0	0	113.4
358	S	28.7	Very low	31.5	Very low	86 Å²	86	152.4 Å²	152.4	60%	0.601	77%	0.772	S	S	*	*			trans	-150.2	47.5	-174.2	58.5	0	0	0	0	117.5
359	R	29.6	Very low	30.8	Very low	251 Å²	251	151.2 Å²	151.2	95%	0.947	78%	0.781	S	S	*	*			trans	-167	153.2	147.1	-109	149.4	177.5	178.4	-1.8	114.2
360	P	29.1	Very low	30.1	Very low	123 Å²	123	151.6 Å²	151.6	80%	0.799	79%	0.788	S	S	*	*			trans	-86.5	163	-179.8	36	-35.2	0	0	0	113.1
361	A	28.1	Very low	29.6	Very low	95 Å²	95	151.9 Å²	151.9	79%	0.785	79%	0.794	S	S	*	*			trans	-88.8	145.7	-180	0	0	0	0	0	113.6
362	P	28	Very low	29	Very low	128 Å²	128	149.2 Å²	149.2	83%	0.831	79%	0.791	S	S	*	*			trans	-86.6	176.5	163.6	36.6	-33.6	0	0	0	112.1
363	Q	24.9	Very low	28.3	Very low	190 Å²	190	150 Å²	150	89%	0.888	80%	0.8	S	S	*	*			trans	-113.5	163.6	-171.4	-60.6	173	-46.4	0	0	114
364	A	25.6	Very low	27.6	Very low	98 Å²	98	143.2 Å²	143.2	81%	0.81	79%	0.788	S	S	*	*			trans	86.5	157.3	141.3	0	0	0	0	0	122.4
365	A	23.5	Very low	27.1	Very low	90 Å²	90	141.1 Å²	141.1	74%	0.744	79%	0.79	S	S	*	*			trans	83.9	97.7	156.5	0	0	0	0	0	121.1
366	E	25.6	Very low	26.6	Very low	192 Å²	192	138.4 Å²	138.4	90%	0.897	80%	0.796	S	S	*	*				24.7	137.9	125.1	-55.7	-175	142.4	0	0	122.7
367	S	24.4	Very low	26.2	Very low	128 Å²	128	135.2 Å²	135.2	90%	0.895	79%	0.791	S	S	*	*				-163.4	163.2	129.8	29.9	0	0	0	0	111.5
368	R	22.9	Very low	25.9	Very low	241 Å²	241	135.7 Å²	135.7	91%	0.909	79%	0.793	S	S	*	*			trans	-123.3	145.5	-177.7	-66.1	176.3	175.8	172.3	-3.5	111.9
369	A	24.3	Very low	25.7	Very low	87 Å²	87	137.1 Å²	137.1	72%	0.719	80%	0.803	S	S	*	*			trans	176.8	134.7	148.2	0	0	0	0	0	106.2
370	D	23.6	Very low	25.4	Very low	148 Å²	148	129.1 Å²	129.1	79%	0.791	79%	0.791	S	S	*	*			cis	67.6	132.9	39.6	-47.3	-32.7	0	0	0	112.1
371	D	25	Very low	25.3	Very low	143 Å²	143	130 Å²	130	77%	0.765	79%	0.793	S	S	*	*			cis	-165.5	164.6	-20.9	-156.8	30.9	0	0	0	105.5
372	V	26.9	Very low	25.1	Very low	109 Å²	109	134 Å²	134	66%	0.661	80%	0.796	S	S	*	*			cis	-126.5	-143.7	9.4	-147.2	0	0	0	0	107.8	A374	V372-A374 HydrophobicContact CG1-CB 4.27Å
373	D	24.1	Very low	25.2	Very low	145 Å²	145	133.7 Å²	133.7	78%	0.775	79%	0.793	S	S	*	*			cis	-158	167.8	5.8	-167	83.1	0	0	0	108.5
374	A	24.1	Very low	25.4	Very low	67 Å²	67	130.4 Å²	130.4	55%	0.554	79%	0.789	S	S	*	*				171.3	76	-62	0	0	0	0	0	112	V372	V372-A374 HydrophobicContact CG1-CB 4.27Å
375	T	25.6	Very low	25.5	Very low	132 Å²	132	133.8 Å²	133.8	81%	0.81	79%	0.793	S	S	*	*			trans	-155.2	104.2	157.2	42.6	0	0	0	0	109.8
376	A	26.1	Very low	25.7	Very low	104 Å²	104	135.3 Å²	135.3	86%	0.86	80%	0.798	S	S	*	*				74.9	131.5	83.5	0	0	0	0	0	113.9
377	A	26.3	Very low	25.9	Very low	86 Å²	86	132.1 Å²	132.1	71%	0.711	80%	0.797	S	S	*	*			cis	-144.6	145.5	11.3	0	0	0	0	0	112
378	K	26.7	Very low	26.1	Very low	206 Å²	206	129.8 Å²	129.8	90%	0.896	79%	0.794	S	S	*	*				52.6	136	103.2	-60.8	-175.8	176.8	-179.2	0	115.7
379	S	24.6	Very low	26.2	Very low	116 Å²	116	130.1 Å²	130.1	81%	0.811	80%	0.795	S	S	*	*			cis	-154.5	-177.5	3.4	54.7	0	0	0	0	108.5
380	A	24.6	Very low	26.7	Very low	84 Å²	84	135.7 Å²	135.7	69%	0.694	81%	0.806	S	S	*	*			cis	-145.5	150.6	17.3	0	0	0	0	0	108.8
381	V	26.3	Very low	26.9	Very low	140 Å²	140	136.3 Å²	136.3	85%	0.848	81%	0.809	S	S	*	*				67.8	104.8	66.3	-172.8	0	0	0	0	114.3
382	E	24.5	Very low	27.2	Very low	181 Å²	181	133.2 Å²	133.2	85%	0.846	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-87.9	157.8	170.7	-59.6	172.6	130.3	0	0	111.6
383	P	29.1	Very low	27.1	Very low	120 Å²	120	131.1 Å²	131.1	78%	0.779	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-85.9	147.9	167.1	35	-32.7	0	0	0	112.3
384	P	30.5	Very low	27.4	Very low	122 Å²	122	132.6 Å²	132.6	79%	0.792	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-86.5	169.3	179.4	36.1	-36.8	0	0	0	113.7
385	D	27.3	Very low	27.8	Very low	169 Å²	169	138.4 Å²	138.4	90%	0.904	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-51.1	143	168.7	-74.8	-56.8	0	0	0	112.9
386	S	27.3	Very low	28.8	Very low	121 Å²	121	138 Å²	138	85%	0.846	83%	0.831	S	S	*	*			trans	-137.7	108.5	165.2	62.2	0	0	0	0	111.3
387	S	29.1	Very low	30.2	Very low	126 Å²	126	139.6 Å²	139.6	88%	0.881	82%	0.821	S	S	*	*			trans	-94.8	145.1	165.9	53	0	0	0	0	109.8
388	G	30.2	Very low	32.1	Very low	79 Å²	79	141.5 Å²	141.5	81%	0.814	82%	0.815	S	S	*	*			trans	86.7	68.6	168.4	0	0	0	0	0	116.6
389	R	24	Very low	34.5	Very low	247 Å²	247	132.9 Å²	132.9	93%	0.932	78%	0.78	S	S	*	*			trans	-133.7	131	143.5	-73.1	-167.4	176	-178.6	-0.3	109.6
390	E	34.9	Very low	37.4	Very low	204 Å²	204	128.1 Å²	128.1	95%	0.953	75%	0.745	S	S	*	*			trans	-79.3	120.9	165.9	-64	179.2	131.5	0	0	108.1
391	D	26.9	Very low	40.3	Very low	161 Å²	161	127.6 Å²	127.6	86%	0.861	73%	0.73	S	S	*	*			trans	-145.4	148.5	163.6	-161	-1.5	0	0	0	109	G393	D391-G393 PolarHBondContact O-N 3.39Å
392	G	32.9	Very low	43.3	Very low	79 Å²	79	124.7 Å²	124.7	81%	0.814	71%	0.706	S	S	*	*			trans	-78.8	43.4	-163	0	0	0	0	0	115.7
393	G	24.1	Very low	46.2	Very low	65 Å²	65	120.6 Å²	120.6	67%	0.67	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-75.1	136.4	177.8	0	0	0	0	0	113	D391 Q395	D391-G393 PolarHBondContact O-N 3.39Å; G393-Q395 PolarHBondContact O-N 3.27Å
394	L	31.1	Very low	49.1	Very low	175 Å²	175	116.9 Å²	116.9	92%	0.916	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-60.3	128.5	170.6	-73	122.6	0	0	0	110.1	V396	L394-V396 PolarHBondContact O-N 3.4Å
395	Q	32.3	Very low	52	Low	190 Å²	190	114 Å²	114	89%	0.888	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-64.3	122.1	168.3	-78.6	-176.4	-44.2	0	0	109.3	G393 E397	G393-Q395 PolarHBondContact O-N 3.27Å; Q395-E397 PolarHBondContact O-N 3.15Å
396	V	46.2	Very low	55.2	Low	122 Å²	122	109.8 Å²	109.8	74%	0.739	62%	0.617	S	S	*	*			trans	-69.3	112	164.8	179.9	0	0	0	0	107.1	L394 Q398	L394-V396 PolarHBondContact O-N 3.4Å; V396-Q398 PolarHBondContact O-N 2.95Å
397	E	54.4	Low	58.4	Low	138 Å²	138	108.5 Å²	108.5	65%	0.645	60%	0.598	S	S	*	*			trans	-61.2	119.2	179.1	-66.4	-174.5	143.2	0	0	110.2	Q395 P399	Q395-E397 PolarHBondContact O-N 3.15Å; E397-P399 VanDerWaalsContact O-CD 3.29Å; E397-P399 WeakPolarHBondContact O-CD 3.31Å
398	Q	66.2	Low	61.6	Low	126 Å²	126	102.9 Å²	102.9	59%	0.589	56%	0.557	S	S	*	*			trans	-78	110.5	174.2	-70.2	-175.1	-10.1	0	0	108.6	V396 F400 Q744	V396-Q398 PolarHBondContact O-N 2.95Å; Q398-F400 PolarHBondContact O-N 3.37Å; Q398-F400 VanDerWaalsContact O-N 3.07Å; Q398-Q744 PolarHBondContact O-NE2 3.45Å
399	P	78.9	Confident	64.7	Low	25 Å²	25	100.5 Å²	100.5	16%	0.162	53%	0.532	C	S	.	.	S	Bend	trans	-69	-11.5	-171.4	30.4	-37.8	0	0	0	113.5	E397 V703 A743 Q744	E397-P399 VanDerWaalsContact O-CD 3.29Å; E397-P399 WeakPolarHBondContact O-CD 3.31Å; P399-V703 HydrophobicContact CG-CG1 3.38Å; P399-A743 CarbonylContact O-C 3.59Å; P399-A743 WeakPolarHBondContact O-CA 3.44Å; P399-Q744 PolarHBondContact O-N 2.71Å
400	F	85.3	Confident	68.1	Low	16 Å²	16	92.4 Å²	92.4	7%	0.07	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128	179.2	-63.6	-67.5	0	0	0	112.2	Q398 H679 I690 V703 L704 W718 L741 L742 A743	Q398-F400 PolarHBondContact O-N 3.37Å; Q398-F400 VanDerWaalsContact O-N 3.07Å; F400-H679 HydrophobicContact CE2-CB 4.1Å; F400-H679 AromaticContact CE2-CD2 3.86Å; F400-H679 AromaticContact CE2-CE1 3.9Å; F400-H679 AromaticContact CE2-CG 3.59Å; F400-H679 AromaticContact CE2-ND1 3.62Å; F400-H679 HydrophobicContact CZ-CB 4.36Å; F400-H679 AromaticContact CZ-CE1 3.99Å; F400-H679 AromaticContact CZ-CG 3.91Å; F400-H679 AromaticContact CZ-ND1 3.54Å; F400-I690 HydrophobicContact CE2-CG2 4.33Å; F400-V703 HydrophobicContact CD2-CG1 4.35Å; F400-L704 HydrophobicContact CB-CD2 4.12Å; F400-W718 HydrophobicContact CE1-CZ2 4.28Å; F400-W718 HydrophobicContact CE2-CH2 4.05Å; F400-W718 HydrophobicContact CE2-CZ2 4.33Å; F400-W718 HydrophobicContact CZ-CH2 4.02Å; F400-W718 AromaticContact CZ-CZ2 3.92Å; F400-W718 HydrophobicContact CZ-CZ2 3.92Å; F400-L741 HydrophobicContact CB-CB 4.31Å; F400-L741 HydrophobicContact CB-CD1 4.26Å; F400-L741 HydrophobicContact CD1-CB 4.08Å; F400-L741 HydrophobicContact CD1-CD1 4.33Å; F400-L741 HydrophobicContact CG-CB 4.42Å; F400-L741 HydrophobicContact CG-CD1 4.13Å; F400-L742 WeakPolarHBondContact CA-O 3.43Å; F400-A743 HydrophobicContact CD1-CB 4.28Å; F400-A743 HydrophobicContact CE1-CB 4.12Å
401	I	85.5	Confident	71	Confident	74 Å²	74	82.8 Å²	82.8	38%	0.379	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120	164.6	-56.7	171.5	0	0	0	108.1	L403 L741 L742 Q744	I401-L403 HydrophobicContact CG2-CD2 4.05Å; I401-L403 PolarHBondContact O-N 3.3Å; I401-L403 VanDerWaalsContact O-N 3.13Å; I401-L741 CarbonylContact O-C 3.6Å; I401-L741 WeakPolarHBondContact O-CA 3.3Å; I401-L742 HydrophobicContact CB-CB 4.43Å; I401-L742 PolarHBondContact N-O 3.15Å; I401-L742 PolarHBondContact O-N 3.1Å; I401-Q744 HydrophobicContact CD1-CG 4.03Å; I401-Q744 HydrophobicContact CG1-CG 3.84Å; I401-Q744 VanDerWaalsContact CG1-NE2 3.3Å
402	K	88.8	Confident	74.3	Confident	79 Å²	79	83.3 Å²	83.3	34%	0.343	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	96.4	171.3	-175	179	174.6	-173.6	0	109.7	Q405 L706 L741	K402-Q405 VanDerWaalsContact NZ-CD 3.31Å; K402-L706 PolarHBondContact NZ-O 3.44Å; K402-L741 HydrophobicContact CB-CD2 3.98Å; K402-L741 HydrophobicContact CG-CD2 4.18Å
403	L	85.9	Confident	77.2	Confident	94 Å²	94	80.9 Å²	80.9	49%	0.492	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-41.7	-177.4	-65.4	-176	0	0	0	112.7	I401 T740 L742	I401-L403 HydrophobicContact CG2-CD2 4.05Å; I401-L403 PolarHBondContact O-N 3.3Å; I401-L403 VanDerWaalsContact O-N 3.13Å; L403-T740 HydrophobicContact CB-CG2 4.46Å; L403-T740 HydrophobicContact CD1-CG2 4.29Å; L403-T740 PolarHBondContact N-O 2.8Å; L403-L742 HydrophobicContact CD1-CB 3.92Å; L403-L742 HydrophobicContact CD2-CB 4.11Å; L403-L742 HydrophobicContact CD2-CD2 4.36Å; L403-L742 HydrophobicContact CG-CB 3.92Å
404	S	88.5	Confident	80.6	Confident	42 Å²	42	77.8 Å²	77.8	29%	0.294	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	164.6	179.4	66.5	0	0	0	0	111.7	T740	S404-T740 PolarHBondContact O-N 3.06Å; S404-T740 WeakPolarHBondContact OG-CB 3.49Å; S404-T740 PolarHBondContact OG-OG1 2.99Å
405	Q	92.2	Very high	83.8	Confident	62 Å²	62	69.5 Å²	69.5	29%	0.29	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	116.7	164.7	-169	174.6	39.3	0	0	109.3	K402 L706 G707 K737 L738 S739	K402-Q405 VanDerWaalsContact NZ-CD 3.31Å; Q405-L706 PolarHBondContact NE2-O 3.25Å; Q405-G707 PolarHBondContact NE2-O 2.71Å; Q405-G707 VanDerWaalsContact NE2-O 3.07Å; Q405-K737 HydrophobicContact CG-CB 4.2Å; Q405-K737 HydrophobicContact CG-CD 4.45Å; Q405-L738 CarbonylContact C-O 3.55Å; Q405-L738 VanDerWaalsContact CA-O 3.28Å; Q405-L738 WeakPolarHBondContact CA-O 3.31Å; Q405-S739 PolarHBondContact NE2-OG 3.47Å; Q405-S739 VanDerWaalsContact NE2-OG 3.11Å
406	E	93.6	Very high	86.8	Confident	80 Å²	80	61.3 Å²	61.3	37%	0.374	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	154.1	178.5	-65.1	-174.7	-165.8	0	0	110.1	M445 K737 L738	E406-M445 HydrophobicContact CB-CE 3.52Å; E406-M445 HydrophobicContact CB-SD 3.86Å; E406-K737 VanDerWaalsContact O-CA 3.27Å; E406-K737 WeakPolarHBondContact O-CA 3.28Å; E406-L738 PolarHBondContact N-O 3.08Å; E406-L738 PolarHBondContact O-N 3.46Å
407	E	95.7	Very high	89.2	Confident	95 Å²	95	55.8 Å²	55.8	44%	0.444	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	111.4	-178.4	-174.4	-180	123.8	0	0	110.8	M445 K735 K737	E407-M445 VanDerWaalsContact C-SD 3.6Å; E407-K735 HydrophobicContact CG-CB 4.34Å; E407-K735 HydrophobicContact CG-CD 4.4Å; E407-K735 WeakPolarHBondContact OE1-CD 3.41Å; E407-K737 HydrophobicContact CB-CG 4.36Å; E407-K737 HydrophobicContact CG-CG 4.28Å; E407-K737 VanDerWaalsContact OE2-CE 3.26Å; E407-K737 WeakPolarHBondContact OE2-CE 3.49Å; E407-K737 IonicContact OE2-NZ 2.78Å; E407-K737 PolarHBondContact OE2-NZ 3.05Å
408	Y	96.8	Very high	91.2	Very high	8 Å²	8	49.2 Å²	49.2	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.9	168	-174.7	-102	0	0	0	109	E410 K437 W439 M445 T447 I736	Y408-E410 HydrophobicContact CE1-CB 4.12Å; Y408-E410 HydrophobicContact CE2-CB 4.37Å; Y408-E410 HydrophobicContact CE2-CG 4.09Å; Y408-E410 PolarHBondContact OH-OE2 2.84Å; Y408-K437 HydrophobicContact CE1-CB 4.28Å; Y408-K437 HydrophobicContact CE1-CD 4.19Å; Y408-K437 WeakPolarHBondContact OH-CB 3.46Å; Y408-K437 WeakPolarHBondContact OH-CD 3.43Å; Y408-W439 HydrophobicContact CD1-CD2 4.12Å; Y408-W439 AromaticContact CD1-CE2 3.62Å; Y408-W439 HydrophobicContact CD1-CG 4.36Å; Y408-W439 AromaticContact CD1-CZ2 3.96Å; Y408-W439 HydrophobicContact CD1-CZ2 3.96Å; Y408-W439 AromaticContact CD1-NE1 3.61Å; Y408-W439 AromaticContact CD2-CD2 3.92Å; Y408-W439 HydrophobicContact CD2-CD2 3.92Å; Y408-W439 HydrophobicContact CD2-CE3 4.13Å; Y408-W439 HydrophobicContact CD2-CG 4.14Å; Y408-W439 AromaticContact CE1-CD1 3.49Å; Y408-W439 VanDerWaalsContact CE1-CD1 3.49Å; Y408-W439 HydrophobicContact CE1-CD2 4.22Å; Y408-W439 AromaticContact CE1-CE2 3.89Å; Y408-W439 AromaticContact CE1-CG 3.98Å; Y408-W439 HydrophobicContact CE1-CG 3.98Å; Y408-W439 AromaticContact CE1-NE1 3.43Å; Y408-W439 HydrophobicContact CE2-CB 3.87Å; Y408-W439 HydrophobicContact CE2-CD2 4.05Å; Y408-W439 AromaticContact CE2-CG 3.75Å; Y408-W439 HydrophobicContact CE2-CG 3.75Å; Y408-W439 AromaticContact CG-CD2 3.94Å; Y408-W439 HydrophobicContact CG-CD2 3.94Å; Y408-W439 AromaticContact CG-CE2 3.8Å; Y408-W439 HydrophobicContact CG-CE3 4.25Å; Y408-W439 HydrophobicContact CG-CG 4.41Å; Y408-W439 HydrophobicContact CG-CH2 4.33Å; Y408-W439 HydrophobicContact CG-CZ2 4.01Å; Y408-W439 HydrophobicContact CG-CZ3 4.45Å; Y408-W439 AromaticContact CZ-CD1 3.47Å; Y408-W439 VanDerWaalsContact CZ-CD1 3.47Å; Y408-W439 AromaticContact CZ-CG 3.63Å; Y408-W439 AromaticContact CZ-NE1 3.91Å; Y408-M445 HydrophobicContact CD2-SD 4.5Å; Y408-M445 PolarHBondContact N-SD 3.11Å; Y408-T447 WeakPolarHBondContact CE2-OG1 3.46Å; Y408-T447 PolarHBondContact OH-OG1 2.77Å; Y408-I736 HydrophobicContact CD1-CD1 4.24Å; Y408-I736 PolarHBondContact N-O 3.43Å; Y408-I736 PolarHBondContact O-N 3.11Å
409	G	94.9	Very high	92.6	Very high	28 Å²	28	44.2 Å²	44.2	29%	0.289	23%	0.226	S	C	.	.			trans	-128.9	23.9	-166.6	0	0	0	0	0	115.5	K735	G409-K735 PolarHBondContact O-NZ 2.81Å
410	E	94.9	Very high	93.3	Very high	77 Å²	77	43.8 Å²	43.8	36%	0.36	22%	0.222	S	C	.	.			trans	-82.2	-15.1	-178.9	-73.3	-168	-151.4	0	0	115	Y408 H412 K437 T447	Y408-E410 HydrophobicContact CE1-CB 4.12Å; Y408-E410 HydrophobicContact CE2-CB 4.37Å; Y408-E410 HydrophobicContact CE2-CG 4.09Å; Y408-E410 PolarHBondContact OH-OE2 2.84Å; E410-H412 PolarHBondContact O-CE1 2.89Å; E410-H412 PolarHBondContact O-ND1 3.44Å; E410-K437 HydrophobicContact CB-CD 3.76Å; E410-K437 WeakPolarHBondContact O-CE 3.43Å; E410-K437 IonicContact OE2-NZ 3.09Å; E410-K437 PolarHBondContact OE2-NZ 3.48Å; E410-T447 WeakPolarHBondContact OE1-CB 3.38Å; E410-T447 PolarHBondContact OE1-OG1 2.66Å; E410-T447 PolarHBondContact OE2-OG1 3Å; E410-T447 VanDerWaalsContact OE2-OG1 3.06Å
411	H	96.6	Very high	93.5	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.014	22%	0.219	C	C	.	.			trans	-76.6	145.8	168.6	-69.3	-85.7	0	0	0	109.4	I415 S429 D431 V435 G734	H411-I415 HydrophobicContact CB-CD1 3.62Å; H411-S429 PolarHBondContact CE1-O 2.89Å; H411-S429 WeakPolarHBondContact NE2-CB 3.32Å; H411-S429 PolarHBondContact NE2-O 2.85Å; H411-S429 PolarHBondContact NE2-OG 3.12Å; H411-D431 IonicContact CE1-OD2 3.78Å; H411-D431 IonicContact CG-OD2 3.34Å; H411-D431 IonicContact ND1-OD2 2.66Å; H411-D431 PolarHBondContact ND1-OD2 3.39Å; H411-V435 PolarHBondContact CE1-O 3.29Å; H411-G734 WeakPolarHBondContact CB-O 3.42Å
412	H	94.8	Very high	93.5	Very high	171 Å²	171	43.2 Å²	43.2	79%	0.792	23%	0.227	S	C	*	.			trans	-112	-2.4	-176.3	-64.8	70.5	0	0	0	112.5	E410	E410-H412 PolarHBondContact O-CE1 2.89Å; E410-H412 PolarHBondContact O-ND1 3.44Å
413	S	94.7	Very high	93.3	Very high	29 Å²	29	41.1 Å²	41.1	20%	0.203	22%	0.222	C	C	.	.	S	Bend	trans	-141.4	161.5	-172.8	-64	0	0	0	0	109.6	I415 D433 G734	S413-I415 PolarHBondContact O-N 3.42Å; S413-D433 VanDerWaalsContact CB-OD2 3.23Å; S413-D433 WeakPolarHBondContact CB-OD2 3.34Å; S413-D433 PolarHBondContact OG-OD2 3.37Å; S413-G734 VanDerWaalsContact O-CA 3.24Å; S413-G734 WeakPolarHBondContact O-CA 3.48Å
414	S	95.6	Very high	93.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.			trans	-52.6	135.6	-176.1	-174.7	0	0	0	0	113.2	D431 V432 Q664 M732	S414-D431 CarbonylContact O-C 3.56Å; S414-D431 VanDerWaalsContact O-CA 3.25Å; S414-D431 WeakPolarHBondContact O-CA 3.46Å; S414-D431 WeakPolarHBondContact O-CB 3.37Å; S414-V432 PolarHBondContact O-N 3.15Å; S414-Q664 PolarHBondContact OG-OE1 3.44Å; S414-M732 VanDerWaalsContact CA-O 3.28Å; S414-M732 WeakPolarHBondContact CA-O 3.42Å; S414-M732 WeakPolarHBondContact CB-O 3.48Å; S414-M732 PolarHBondContact N-O 3.08Å; S414-M732 WeakPolarHBondContact OG-CA 3.23Å
415	I	97.5	Very high	93.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	140	176.4	-52.1	-56.9	0	0	0	110	H411 S413 H417 D431 Q664 V714 T715 A730 I736	H411-I415 HydrophobicContact CB-CD1 3.62Å; S413-I415 PolarHBondContact O-N 3.42Å; I415-H417 WeakPolarHBondContact CG2-O 3.27Å; I415-D431 HydrophobicContact CD1-CB 4.32Å; I415-Q664 PolarHBondContact O-NE2 3.49Å; I415-V714 WeakPolarHBondContact O-CG2 3.43Å; I415-T715 HydrophobicContact CG2-CG2 4.08Å; I415-A730 HydrophobicContact CB-CB 3.93Å; I415-A730 HydrophobicContact CG1-CB 4.05Å; I415-A730 HydrophobicContact CG2-CB 3.78Å; I415-I736 HydrophobicContact CD1-CD1 4.09Å; I415-I736 HydrophobicContact CD1-CG1 4.22Å; I415-I736 HydrophobicContact CG1-CD1 4.26Å; I415-I736 HydrophobicContact CG1-CG1 4.02Å
416	M	95.6	Very high	93.2	Very high	19 Å²	19	42.8 Å²	42.8	9%	0.094	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-40.8	170.2	-66.3	-167.8	-61.1	0	0	112.3	L430 D431 V432 L457 G668	M416-L430 HydrophobicContact CE-CD1 4.43Å; M416-L430 HydrophobicContact CE-CD2 4.18Å; M416-L430 HydrophobicContact CE-CG 4.07Å; M416-L430 PolarHBondContact N-O 2.96Å; M416-D431 WeakPolarHBondContact CE-O 3.48Å; M416-V432 HydrophobicContact CG-CB 4.44Å; M416-V432 HydrophobicContact CG-CG1 3.56Å; M416-V432 HydrophobicContact SD-CB 4.44Å; M416-V432 HydrophobicContact SD-CG1 3.9Å; M416-L457 WeakPolarHBondContact CE-O 3.48Å; M416-G668 VanDerWaalsContact O-CA 3.29Å; M416-G668 WeakPolarHBondContact O-CA 3.37Å; M416-G668 PolarHBondContact O-N 2.98Å; M416-G668 VanDerWaalsContact O-N 3.09Å
417	H	96.7	Very high	93.3	Very high	6 Å²	6	39 Å²	39	3%	0.028	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.7	-179.7	-70.1	-89.6	0	0	0	110.8	I415 S429 L430 L458 L460 R667	I415-H417 WeakPolarHBondContact CG2-O 3.27Å; H417-S429 WeakPolarHBondContact O-CA 3.36Å; H417-L430 HydrophobicContact CB-CB 4.41Å; H417-L430 PolarHBondContact N-O 3.35Å; H417-L430 PolarHBondContact O-N 3Å; H417-L458 PolarHBondContact NE2-O 2.91Å; H417-L460 HydrophobicContact CB-CB 4.1Å; H417-R667 PolarHBondContact CE1-O 2.75Å
418	C	96.7	Very high	93.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133	168.7	-159.7	0	0	0	0	107.9	V427 T715 A730	C418-V427 VanDerWaalsContact SG-CG1 3.58Å; C418-T715 HydrophobicContact CB-CG2 4.08Å; C418-A730 HydrophobicContact CB-CB 4.24Å
419	R	95.1	Very high	93.4	Very high	21 Å²	21	34 Å²	34	8%	0.079	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	129.9	-175.8	-72.9	-65.5	-162.2	-78.8	-18.1	112.5	V427 A428 L460 E461 W462 R669 D717	R419-V427 CarbonylContact O-C 3.56Å; R419-V427 VanDerWaalsContact O-CA 3.31Å; R419-V427 WeakPolarHBondContact O-CA 3.15Å; R419-A428 PolarHBondContact N-O 2.93Å; R419-A428 PolarHBondContact O-N 3.14Å; R419-L460 HydrophobicContact CB-CD2 4.02Å; R419-L460 HydrophobicContact CG-CD2 3.9Å; R419-E461 IonicContact CZ-OE2 2.83Å; R419-E461 VanDerWaalsContact CZ-OE2 3.27Å; R419-E461 IonicContact NE-OE1 3.4Å; R419-E461 IonicContact NE-OE2 3.72Å; R419-E461 PolarHBondContact NE-OE2 3.27Å; R419-E461 IonicContact NH2-OE2 2.65Å; R419-E461 PolarHBondContact NH2-OE2 2.84Å; R419-W462 PolarHBondContact O-NE1 2.77Å; R419-R669 VanDerWaalsContact NE-CZ 3.32Å; R419-D717 VanDerWaalsContact CA-OD2 3.32Å; R419-D717 WeakPolarHBondContact CA-OD2 3.48Å
420	V	93.4	Very high	93.5	Very high	15 Å²	15	32.7 Å²	32.7	9%	0.091	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	147.3	166.3	-163.4	0	0	0	0	110.2	R426 V427 W462 D717 C719 L728	V420-R426 CarbonylContact C-O 3.44Å; V420-R426 WeakPolarHBondContact CA-O 3.14Å; V420-R426 WeakPolarHBondContact CG1-O 3.33Å; V420-V427 HydrophobicContact CG2-CG2 4.46Å; V420-W462 PolarHBondContact O-NE1 2.9Å; V420-D717 PolarHBondContact N-OD2 2.64Å; V420-C719 HydrophobicContact CB-CB 3.86Å; V420-C719 HydrophobicContact CG1-CB 3.83Å; V420-C719 HydrophobicContact CG2-CB 3.78Å; V420-L728 HydrophobicContact CG2-CD1 3.56Å; V420-L728 HydrophobicContact CG2-CG 4.14Å
421	D	90.8	Very high	93.5	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.011	14%	0.144	C	C	.	.			trans	-73	158.7	169.4	75.5	-18.8	0	0	0	111.6	S423 G424 R425 R426 W462	D421-S423 VanDerWaalsContact CG-OG 3.26Å; D421-S423 PolarHBondContact O-N 2.97Å; D421-S423 VanDerWaalsContact O-N 3.1Å; D421-S423 PolarHBondContact OD1-OG 2.85Å; D421-S423 VanDerWaalsContact OD1-OG 3.07Å; D421-S423 PolarHBondContact OD2-OG 3.2Å; D421-G424 PolarHBondContact O-N 3.1Å; D421-G424 PolarHBondContact OD1-N 3.24Å; D421-G424 VanDerWaalsContact OD1-N 3.12Å; D421-R425 PolarHBondContact OD1-N 2.99Å; D421-R426 HydrophobicContact CB-CB 4.25Å; D421-R426 PolarHBondContact N-O 2.94Å; D421-R426 PolarHBondContact OD1-N 3.29Å; D421-R426 IonicContact OD2-CZ 3.91Å; D421-R426 IonicContact OD2-NE 3.16Å; D421-R426 PolarHBondContact OD2-NE 2.99Å; D421-R426 IonicContact OD2-NH2 3.84Å; D421-R426 PolarHBondContact OD2-NH2 3.19Å; D421-W462 HydrophobicContact CB-CD2 3.79Å; D421-W462 HydrophobicContact CB-CE3 4.11Å; D421-W462 HydrophobicContact CB-CG 4.19Å; D421-W462 HydrophobicContact CB-CH2 4.28Å; D421-W462 HydrophobicContact CB-CZ2 3.97Å; D421-W462 HydrophobicContact CB-CZ3 4.35Å
422	S	83.9	Confident	93.4	Very high	77 Å²	77	31.7 Å²	31.7	54%	0.538	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.4	-179	33.4	0	0	0	0	113.8	G424 D467	S422-G424 VanDerWaalsContact C-N 3.32Å; S422-D467 WeakPolarHBondContact CB-OD1 3.35Å; S422-D467 PolarHBondContact OG-OD1 2.97Å
423	S	85.2	Confident	93.3	Very high	34 Å²	34	28.6 Å²	28.6	24%	0.238	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-13.7	172.6	85	0	0	0	0	114.7	D421 R425 D467	D421-S423 VanDerWaalsContact CG-OG 3.26Å; D421-S423 PolarHBondContact O-N 2.97Å; D421-S423 VanDerWaalsContact O-N 3.1Å; D421-S423 PolarHBondContact OD1-OG 2.85Å; D421-S423 VanDerWaalsContact OD1-OG 3.07Å; D421-S423 PolarHBondContact OD2-OG 3.2Å; S423-R425 VanDerWaalsContact C-N 3.33Å; S423-R425 WeakPolarHBondContact OG-CB 3.45Å; S423-R425 WeakPolarHBondContact OG-CG 3.38Å; S423-D467 PolarHBondContact N-OD1 3.12Å
424	G	87.1	Confident	93.2	Very high	7 Å²	7	27.3 Å²	27.3	7%	0.072	14%	0.14	C	C	.	.	S	Bend	trans	69.7	24.9	-177.5	0	0	0	0	0	114.8	D421 S422 F441	D421-G424 PolarHBondContact O-N 3.1Å; D421-G424 PolarHBondContact OD1-N 3.24Å; D421-G424 VanDerWaalsContact OD1-N 3.12Å; S422-G424 VanDerWaalsContact C-N 3.32Å; G424-F441 VanDerWaalsContact O-CZ 3.28Å; G424-F441 WeakPolarHBondContact O-CZ 3.37Å
425	R	87.2	Confident	93.2	Very high	168 Å²	168	28.7 Å²	28.7	63%	0.634	15%	0.149	S	C	*	.	S	Bend	trans	-117.3	-21.9	-172.9	-62.6	174.5	-178	-128	-2.1	113.3	D421 S423 S440	D421-R425 PolarHBondContact OD1-N 2.99Å; S423-R425 VanDerWaalsContact C-N 3.33Å; S423-R425 WeakPolarHBondContact OG-CB 3.45Å; S423-R425 WeakPolarHBondContact OG-CG 3.38Å; R425-S440 WeakPolarHBondContact O-CA 3.35Å; R425-S440 VanDerWaalsContact O-CB 3.25Å; R425-S440 WeakPolarHBondContact O-CB 3.36Å; R425-S440 PolarHBondContact O-OG 2.96Å
426	R	91.1	Very high	93.1	Very high	58 Å²	58	28.8 Å²	28.8	22%	0.219	15%	0.149	C	C	.	.			trans	-125	154.6	178.3	-72.2	170.6	-72.8	-146.9	-17.8	111	V420 D421 W439 W462 D467	V420-R426 CarbonylContact C-O 3.44Å; V420-R426 WeakPolarHBondContact CA-O 3.14Å; V420-R426 WeakPolarHBondContact CG1-O 3.33Å; D421-R426 HydrophobicContact CB-CB 4.25Å; D421-R426 PolarHBondContact N-O 2.94Å; D421-R426 PolarHBondContact OD1-N 3.29Å; D421-R426 IonicContact OD2-CZ 3.91Å; D421-R426 IonicContact OD2-NE 3.16Å; D421-R426 PolarHBondContact OD2-NE 2.99Å; D421-R426 IonicContact OD2-NH2 3.84Å; D421-R426 PolarHBondContact OD2-NH2 3.19Å; R426-W439 CarbonylContact C-O 3.52Å; R426-W439 VanDerWaalsContact CA-O 3.23Å; R426-W439 WeakPolarHBondContact CA-O 3.35Å; R426-W462 HydrophobicContact CB-CH2 4.01Å; R426-W462 HydrophobicContact CB-CZ2 3.99Å; R426-D467 PolarHBondContact NE-O 2.84Å; R426-D467 PolarHBondContact NH2-O 3.37Å
427	V	95.1	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.4	168.9	-176.5	0	0	0	0	107.9	C418 R419 V420 V438 W439 F441 L728	C418-V427 VanDerWaalsContact SG-CG1 3.58Å; R419-V427 CarbonylContact O-C 3.56Å; R419-V427 VanDerWaalsContact O-CA 3.31Å; R419-V427 WeakPolarHBondContact O-CA 3.15Å; V420-V427 HydrophobicContact CG2-CG2 4.46Å; V427-V438 WeakPolarHBondContact O-CA 3.46Å; V427-W439 HydrophobicContact CB-CD2 3.86Å; V427-W439 HydrophobicContact CB-CE3 4.2Å; V427-W439 HydrophobicContact CB-CG 4.44Å; V427-W439 HydrophobicContact CB-CH2 4.05Å; V427-W439 HydrophobicContact CB-CZ2 3.69Å; V427-W439 HydrophobicContact CB-CZ3 4.28Å; V427-W439 HydrophobicContact CG1-CD2 4.46Å; V427-W439 HydrophobicContact CG1-CH2 4.13Å; V427-W439 HydrophobicContact CG1-CZ2 3.49Å; V427-W439 VanDerWaalsContact CG1-CZ2 3.49Å; V427-W439 HydrophobicContact CG2-CD2 4.41Å; V427-W439 HydrophobicContact CG2-CE3 4.25Å; V427-W439 HydrophobicContact CG2-CH2 3.89Å; V427-W439 HydrophobicContact CG2-CZ2 4.06Å; V427-W439 HydrophobicContact CG2-CZ3 3.99Å; V427-W439 PolarHBondContact N-O 2.55Å; V427-W439 PolarHBondContact O-N 2.76Å; V427-F441 HydrophobicContact CG2-CD1 3.81Å; V427-F441 HydrophobicContact CG2-CE1 3.76Å; V427-L728 HydrophobicContact CB-CD1 4.34Å; V427-L728 HydrophobicContact CG1-CD1 3.56Å; V427-L728 HydrophobicContact CG2-CD1 3.78Å; V427-L728 HydrophobicContact CG2-CD2 4.5Å
428	A	96.4	Very high	93.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.2	166	0	0	0	0	0	108.3	R419 K437 V438 L460 W462 L470	R419-A428 PolarHBondContact N-O 2.93Å; R419-A428 PolarHBondContact O-N 3.14Å; A428-K437 WeakPolarHBondContact CA-O 3.45Å; A428-V438 HydrophobicContact CB-CG2 4.25Å; A428-L460 HydrophobicContact CB-CD1 4.25Å; A428-L460 HydrophobicContact CB-CD2 3.98Å; A428-W462 HydrophobicContact CB-CH2 4.33Å; A428-W462 HydrophobicContact CB-CZ2 3.49Å; A428-W462 VanDerWaalsContact CB-CZ2 3.49Å; A428-L470 HydrophobicContact CB-CD1 3.76Å; A428-L470 HydrophobicContact CB-CD2 3.94Å
429	S	97.4	Very high	93.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.8	177.6	51.8	0	0	0	0	110.9	H411 H417 I436 K437 W439 I736	H411-S429 PolarHBondContact CE1-O 2.89Å; H411-S429 WeakPolarHBondContact NE2-CB 3.32Å; H411-S429 PolarHBondContact NE2-O 2.85Å; H411-S429 PolarHBondContact NE2-OG 3.12Å; H417-S429 WeakPolarHBondContact O-CA 3.36Å; S429-I436 CarbonylContact O-C 3.15Å; S429-I436 VanDerWaalsContact O-CA 3.27Å; S429-I436 WeakPolarHBondContact O-CA 3.33Å; S429-K437 PolarHBondContact N-O 3.18Å; S429-K437 PolarHBondContact O-N 2.84Å; S429-W439 PolarHBondContact OG-NE1 3.33Å; S429-I736 WeakPolarHBondContact OG-CD1 3.42Å
430	L	97.4	Very high	93	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.4	-174.8	163	64.3	0	0	0	109.6	M416 H417 V435 I436 L457 L460	M416-L430 HydrophobicContact CE-CD1 4.43Å; M416-L430 HydrophobicContact CE-CD2 4.18Å; M416-L430 HydrophobicContact CE-CG 4.07Å; M416-L430 PolarHBondContact N-O 2.96Å; H417-L430 HydrophobicContact CB-CB 4.41Å; H417-L430 PolarHBondContact N-O 3.35Å; H417-L430 PolarHBondContact O-N 3Å; L430-V435 WeakPolarHBondContact CA-O 3.39Å; L430-I436 HydrophobicContact CB-CG1 4.45Å; L430-I436 HydrophobicContact CD1-CG1 3.9Å; L430-L457 HydrophobicContact CD1-CB 4.05Å; L430-L457 HydrophobicContact CD1-CD1 3.92Å; L430-L457 HydrophobicContact CD2-CB 3.72Å; L430-L457 HydrophobicContact CD2-CD1 4.4Å; L430-L460 HydrophobicContact CB-CD1 3.66Å; L430-L460 HydrophobicContact CD2-CB 4.13Å; L430-L460 HydrophobicContact CD2-CD1 4.35Å
431	D	96	Very high	92.7	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	167.4	173.3	60.8	34.6	0	0	0	113.8	H411 S414 I415 M416 D433 G434 V435	H411-D431 IonicContact CE1-OD2 3.78Å; H411-D431 IonicContact CG-OD2 3.34Å; H411-D431 IonicContact ND1-OD2 2.66Å; H411-D431 PolarHBondContact ND1-OD2 3.39Å; S414-D431 CarbonylContact O-C 3.56Å; S414-D431 VanDerWaalsContact O-CA 3.25Å; S414-D431 WeakPolarHBondContact O-CA 3.46Å; S414-D431 WeakPolarHBondContact O-CB 3.37Å; I415-D431 HydrophobicContact CD1-CB 4.32Å; M416-D431 WeakPolarHBondContact CE-O 3.48Å; D431-D433 PolarHBondContact O-N 2.98Å; D431-D433 VanDerWaalsContact O-N 3.15Å; D431-D433 PolarHBondContact OD1-N 2.87Å; D431-G434 PolarHBondContact O-N 2.8Å; D431-G434 PolarHBondContact OD1-N 3.06Å; D431-V435 PolarHBondContact N-O 3.22Å; D431-V435 VanDerWaalsContact N-O 3.14Å; D431-V435 WeakPolarHBondContact OD1-CB 3.31Å; D431-V435 PolarHBondContact OD1-N 2.82Å
432	V	93.2	Very high	92.4	Very high	54 Å²	54	33.4 Å²	33.4	33%	0.327	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.1	178.6	-68.9	0	0	0	0	114.4	S414 M416 G434	S414-V432 PolarHBondContact O-N 3.15Å; M416-V432 HydrophobicContact CG-CB 4.44Å; M416-V432 HydrophobicContact CG-CG1 3.56Å; M416-V432 HydrophobicContact SD-CB 4.44Å; M416-V432 HydrophobicContact SD-CG1 3.9Å; V432-G434 VanDerWaalsContact C-N 3.28Å
433	D	92.5	Very high	92.3	Very high	107 Å²	107	33 Å²	33	57%	0.572	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.8	178.3	-66.3	-27.8	0	0	0	112.6	S413 D431 V435	S413-D433 VanDerWaalsContact CB-OD2 3.23Å; S413-D433 WeakPolarHBondContact CB-OD2 3.34Å; S413-D433 PolarHBondContact OG-OD2 3.37Å; D431-D433 PolarHBondContact O-N 2.98Å; D431-D433 VanDerWaalsContact O-N 3.15Å; D431-D433 PolarHBondContact OD1-N 2.87Å; D433-V435 HydrophobicContact CB-CG2 4.47Å
434	G	92.7	Very high	92.3	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.021	18%	0.179	C	C	.	.	S	Bend	trans	82.4	18.3	-178.6	0	0	0	0	0	113.9	D431 V432 S453	D431-G434 PolarHBondContact O-N 2.8Å; D431-G434 PolarHBondContact OD1-N 3.06Å; V432-G434 VanDerWaalsContact C-N 3.28Å; G434-S453 PolarHBondContact O-N 2.88Å
435	V	95.9	Very high	92.5	Very high	29 Å²	29	37.2 Å²	37.2	18%	0.176	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.3	171.5	-171.9	0	0	0	0	109	H411 L430 D431 D433 K437 T450 I451 M452	H411-V435 PolarHBondContact CE1-O 3.29Å; L430-V435 WeakPolarHBondContact CA-O 3.39Å; D431-V435 PolarHBondContact N-O 3.22Å; D431-V435 VanDerWaalsContact N-O 3.14Å; D431-V435 WeakPolarHBondContact OD1-CB 3.31Å; D431-V435 PolarHBondContact OD1-N 2.82Å; D433-V435 HydrophobicContact CB-CG2 4.47Å; V435-K437 HydrophobicContact CG1-CG 4.42Å; V435-T450 HydrophobicContact CG1-CG2 3.79Å; V435-I451 WeakPolarHBondContact CA-O 3.35Å; V435-M452 HydrophobicContact CG1-CG 4.28Å; V435-M452 HydrophobicContact CG2-CG 4.22Å
436	I	96.7	Very high	92.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.5	172.7	-50.1	150.6	0	0	0	108.1	S429 L430 V438 T450 I451 L457 L460 L470 L472	S429-I436 CarbonylContact O-C 3.15Å; S429-I436 VanDerWaalsContact O-CA 3.27Å; S429-I436 WeakPolarHBondContact O-CA 3.33Å; L430-I436 HydrophobicContact CB-CG1 4.45Å; L430-I436 HydrophobicContact CD1-CG1 3.9Å; I436-V438 HydrophobicContact CG2-CG2 4.39Å; I436-T450 CarbonylContact O-C 3.55Å; I436-T450 WeakPolarHBondContact O-CA 3.47Å; I436-I451 HydrophobicContact CB-CB 4.08Å; I436-I451 HydrophobicContact CB-CD1 4Å; I436-I451 HydrophobicContact CB-CG1 4.2Å; I436-I451 HydrophobicContact CD1-CB 4.09Å; I436-I451 HydrophobicContact CD1-CD1 3.9Å; I436-I451 HydrophobicContact CD1-CG2 4.42Å; I436-I451 HydrophobicContact CG2-CD1 4.06Å; I436-I451 PolarHBondContact N-O 2.9Å; I436-I451 PolarHBondContact O-N 3.08Å; I436-L457 HydrophobicContact CD1-CD1 3.56Å; I436-L457 HydrophobicContact CG1-CD1 3.85Å; I436-L460 HydrophobicContact CG2-CD1 3.95Å; I436-L470 HydrophobicContact CG2-CD2 4.02Å; I436-L472 HydrophobicContact CD1-CD1 3.4Å; I436-L472 VanDerWaalsContact CD1-CD1 3.4Å; I436-L472 HydrophobicContact CD1-CD2 3.45Å; I436-L472 VanDerWaalsContact CD1-CD2 3.45Å; I436-L472 HydrophobicContact CD1-CG 4.03Å; I436-L472 HydrophobicContact CG1-CD2 4.25Å
437	K	96.3	Very high	92.9	Very high	21 Å²	21	32.8 Å²	32.8	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.6	170.9	-69.5	176.5	163.2	-72.2	0	109	Y408 E410 A428 S429 V435 T450	Y408-K437 HydrophobicContact CE1-CB 4.28Å; Y408-K437 HydrophobicContact CE1-CD 4.19Å; Y408-K437 WeakPolarHBondContact OH-CB 3.46Å; Y408-K437 WeakPolarHBondContact OH-CD 3.43Å; E410-K437 HydrophobicContact CB-CD 3.76Å; E410-K437 WeakPolarHBondContact O-CE 3.43Å; E410-K437 IonicContact OE2-NZ 3.09Å; E410-K437 PolarHBondContact OE2-NZ 3.48Å; A428-K437 WeakPolarHBondContact CA-O 3.45Å; S429-K437 PolarHBondContact N-O 3.18Å; S429-K437 PolarHBondContact O-N 2.84Å; V435-K437 HydrophobicContact CG1-CG 4.42Å; K437-T450 HydrophobicContact CG-CG2 4.2Å; K437-T450 PolarHBondContact NZ-OG1 2.89Å
438	V	96.2	Very high	92.8	Very high	2 Å²	2	37 Å²	37	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	111.8	173	-179.4	0	0	0	0	107.3	V427 A428 I436 K448 A449 W462 L470 T484	V427-V438 WeakPolarHBondContact O-CA 3.46Å; A428-V438 HydrophobicContact CB-CG2 4.25Å; I436-V438 HydrophobicContact CG2-CG2 4.39Å; V438-K448 WeakPolarHBondContact O-CA 3.44Å; V438-K448 PolarHBondContact O-N 2.83Å; V438-A449 HydrophobicContact CB-CB 4.3Å; V438-A449 PolarHBondContact N-O 3.26Å; V438-A449 PolarHBondContact O-N 3.01Å; V438-W462 HydrophobicContact CG1-CH2 3.82Å; V438-W462 HydrophobicContact CG1-CZ2 4.35Å; V438-L470 HydrophobicContact CG2-CD2 4.29Å; V438-T484 HydrophobicContact CB-CG2 4.45Å; V438-T484 HydrophobicContact CG1-CG2 4.1Å; V438-T484 HydrophobicContact CG2-CG2 3.88Å
439	W	95.3	Very high	92.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	166.2	-174.7	49.7	-79.9	0	0	0	110.6	Y408 R426 V427 S429 F441 M445 Q446 L728 I736 L738	Y408-W439 HydrophobicContact CD1-CD2 4.12Å; Y408-W439 AromaticContact CD1-CE2 3.62Å; Y408-W439 HydrophobicContact CD1-CG 4.36Å; Y408-W439 AromaticContact CD1-CZ2 3.96Å; Y408-W439 HydrophobicContact CD1-CZ2 3.96Å; Y408-W439 AromaticContact CD1-NE1 3.61Å; Y408-W439 AromaticContact CD2-CD2 3.92Å; Y408-W439 HydrophobicContact CD2-CD2 3.92Å; Y408-W439 HydrophobicContact CD2-CE3 4.13Å; Y408-W439 HydrophobicContact CD2-CG 4.14Å; Y408-W439 AromaticContact CE1-CD1 3.49Å; Y408-W439 VanDerWaalsContact CE1-CD1 3.49Å; Y408-W439 HydrophobicContact CE1-CD2 4.22Å; Y408-W439 AromaticContact CE1-CE2 3.89Å; Y408-W439 AromaticContact CE1-CG 3.98Å; Y408-W439 HydrophobicContact CE1-CG 3.98Å; Y408-W439 AromaticContact CE1-NE1 3.43Å; Y408-W439 HydrophobicContact CE2-CB 3.87Å; Y408-W439 HydrophobicContact CE2-CD2 4.05Å; Y408-W439 AromaticContact CE2-CG 3.75Å; Y408-W439 HydrophobicContact CE2-CG 3.75Å; Y408-W439 AromaticContact CG-CD2 3.94Å; Y408-W439 HydrophobicContact CG-CD2 3.94Å; Y408-W439 AromaticContact CG-CE2 3.8Å; Y408-W439 HydrophobicContact CG-CE3 4.25Å; Y408-W439 HydrophobicContact CG-CG 4.41Å; Y408-W439 HydrophobicContact CG-CH2 4.33Å; Y408-W439 HydrophobicContact CG-CZ2 4.01Å; Y408-W439 HydrophobicContact CG-CZ3 4.45Å; Y408-W439 AromaticContact CZ-CD1 3.47Å; Y408-W439 VanDerWaalsContact CZ-CD1 3.47Å; Y408-W439 AromaticContact CZ-CG 3.63Å; Y408-W439 AromaticContact CZ-NE1 3.91Å; R426-W439 CarbonylContact C-O 3.52Å; R426-W439 VanDerWaalsContact CA-O 3.23Å; R426-W439 WeakPolarHBondContact CA-O 3.35Å; V427-W439 HydrophobicContact CB-CD2 3.86Å; V427-W439 HydrophobicContact CB-CE3 4.2Å; V427-W439 HydrophobicContact CB-CG 4.44Å; V427-W439 HydrophobicContact CB-CH2 4.05Å; V427-W439 HydrophobicContact CB-CZ2 3.69Å; V427-W439 HydrophobicContact CB-CZ3 4.28Å; V427-W439 HydrophobicContact CG1-CD2 4.46Å; V427-W439 HydrophobicContact CG1-CH2 4.13Å; V427-W439 HydrophobicContact CG1-CZ2 3.49Å; V427-W439 VanDerWaalsContact CG1-CZ2 3.49Å; V427-W439 HydrophobicContact CG2-CD2 4.41Å; V427-W439 HydrophobicContact CG2-CE3 4.25Å; V427-W439 HydrophobicContact CG2-CH2 3.89Å; V427-W439 HydrophobicContact CG2-CZ2 4.06Å; V427-W439 HydrophobicContact CG2-CZ3 3.99Å; V427-W439 PolarHBondContact N-O 2.55Å; V427-W439 PolarHBondContact O-N 2.76Å; S429-W439 PolarHBondContact OG-NE1 3.33Å; W439-F441 HydrophobicContact CE3-CB 4.44Å; W439-F441 HydrophobicContact CZ3-CB 4.12Å; W439-F441 HydrophobicContact CZ3-CD1 4.27Å; W439-M445 HydrophobicContact CH2-CE 4.22Å; W439-M445 HydrophobicContact CZ3-CE 3.86Å; W439-M445 HydrophobicContact CZ3-CG 4.4Å; W439-Q446 VanDerWaalsContact CA-O 3.3Å; W439-Q446 WeakPolarHBondContact CA-O 3.42Å; W439-Q446 WeakPolarHBondContact CB-O 3.33Å; W439-L728 HydrophobicContact CH2-CD2 4.22Å; W439-I736 HydrophobicContact CH2-CG2 4.33Å; W439-I736 HydrophobicContact CZ2-CB 4.39Å; W439-I736 HydrophobicContact CZ2-CD1 4.26Å; W439-I736 HydrophobicContact CZ2-CG2 4.01Å; W439-L738 HydrophobicContact CH2-CD1 4.37Å; W439-L738 HydrophobicContact CZ3-CD1 4.08Å
440	S	92.3	Very high	92.4	Very high	17 Å²	17	40.4 Å²	40.4	12%	0.119	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.3	172.4	-178.3	0	0	0	0	107.7	R425 M444 M445 Q446	R425-S440 WeakPolarHBondContact O-CA 3.35Å; R425-S440 VanDerWaalsContact O-CB 3.25Å; R425-S440 WeakPolarHBondContact O-CB 3.36Å; R425-S440 PolarHBondContact O-OG 2.96Å; S440-M444 VanDerWaalsContact O-O 3.09Å; S440-M445 CarbonylContact O-C 3.58Å; S440-M445 VanDerWaalsContact O-CA 3.3Å; S440-M445 WeakPolarHBondContact O-CA 3.31Å; S440-Q446 PolarHBondContact N-O 2.86Å; S440-Q446 PolarHBondContact O-N 3.32Å
441	F	88.9	Confident	92.2	Very high	23 Å²	23	41.5 Å²	41.5	10%	0.101	22%	0.223	C	C	.	.			trans	-116.7	-21.6	-173.4	51.2	-90.5	0	0	0	114	G424 V427 W439 P443 M444 M445 T726 L738	G424-F441 VanDerWaalsContact O-CZ 3.28Å; G424-F441 WeakPolarHBondContact O-CZ 3.37Å; V427-F441 HydrophobicContact CG2-CD1 3.81Å; V427-F441 HydrophobicContact CG2-CE1 3.76Å; W439-F441 HydrophobicContact CE3-CB 4.44Å; W439-F441 HydrophobicContact CZ3-CB 4.12Å; W439-F441 HydrophobicContact CZ3-CD1 4.27Å; F441-P443 CarbonylContact O-C 3.54Å; F441-M444 CarbonylContact O-C 3.53Å; F441-M444 VanDerWaalsContact O-CA 3.27Å; F441-M444 WeakPolarHBondContact O-CA 3.21Å; F441-M444 PolarHBondContact O-N 3.11Å; F441-M445 HydrophobicContact CB-CG 4.24Å; F441-T726 HydrophobicContact CE2-CG2 4.07Å; F441-T726 HydrophobicContact CZ-CG2 4.05Å; F441-L738 HydrophobicContact CB-CD1 3.48Å; F441-L738 VanDerWaalsContact CB-CD1 3.48Å; F441-L738 HydrophobicContact CD1-CD1 3.57Å; F441-L738 HydrophobicContact CD2-CD1 3.58Å; F441-L738 HydrophobicContact CD2-CD2 4.45Å; F441-L738 HydrophobicContact CE1-CD1 4.15Å; F441-L738 HydrophobicContact CE2-CD1 4.15Å; F441-L738 HydrophobicContact CG-CD1 3.25Å; F441-L738 HydrophobicContact CZ-CD1 4.4Å
442	N	84.3	Confident	92	Very high	98 Å²	98	48.5 Å²	48.5	52%	0.524	26%	0.258	S	S	.	.	S	Bend	trans	-106.5	119.4	177.4	-170.4	-13.4	0	0	0	108.8
443	P	81.4	Confident	91.8	Very high	67 Å²	67	47.2 Å²	47.2	44%	0.435	25%	0.251	S	S	.	.	S	Bend	cis	-86.5	-8	7	33.9	-37.4	0	0	0	116.2	V93 F441	V93-P443 HydrophobicContact CB-CG 4.48Å; V93-P443 HydrophobicContact CG1-CB 4.01Å; V93-P443 HydrophobicContact CG1-CG 4.38Å; V93-P443 HydrophobicContact CG2-CG 4.28Å; F441-P443 CarbonylContact O-C 3.54Å
444	M	85.5	Confident	91.5	Very high	86 Å²	86	52.7 Å²	52.7	42%	0.424	27%	0.269	S	S	.	.	S	Bend	trans	-150.3	147.7	178.3	-58.1	178.8	-169.2	0	0	109.8	S440 F441 Q446	S440-M444 VanDerWaalsContact O-O 3.09Å; F441-M444 CarbonylContact O-C 3.53Å; F441-M444 VanDerWaalsContact O-CA 3.27Å; F441-M444 WeakPolarHBondContact O-CA 3.21Å; F441-M444 PolarHBondContact O-N 3.11Å; M444-Q446 HydrophobicContact CB-CG 4.46Å; M444-Q446 PolarHBondContact O-N 3.14Å; M444-Q446 VanDerWaalsContact O-N 3.1Å
445	M	90.3	Very high	91.3	Very high	45 Å²	45	53.2 Å²	53.2	22%	0.222	27%	0.273	C	S	.	.			trans	-55	112.6	168.1	-77.1	-173.2	168.1	0	0	111.9	E406 E407 Y408 W439 S440 F441 L738	E406-M445 HydrophobicContact CB-CE 3.52Å; E406-M445 HydrophobicContact CB-SD 3.86Å; E407-M445 VanDerWaalsContact C-SD 3.6Å; Y408-M445 HydrophobicContact CD2-SD 4.5Å; Y408-M445 PolarHBondContact N-SD 3.11Å; W439-M445 HydrophobicContact CH2-CE 4.22Å; W439-M445 HydrophobicContact CZ3-CE 3.86Å; W439-M445 HydrophobicContact CZ3-CG 4.4Å; S440-M445 CarbonylContact O-C 3.58Å; S440-M445 VanDerWaalsContact O-CA 3.3Å; S440-M445 WeakPolarHBondContact O-CA 3.31Å; F441-M445 HydrophobicContact CB-CG 4.24Å; M445-L738 HydrophobicContact CE-CB 3.55Å; M445-L738 HydrophobicContact CE-CD1 4.25Å; M445-L738 HydrophobicContact CE-CG 4.49Å
446	Q	93.1	Very high	91	Very high	91 Å²	91	55.6 Å²	55.6	43%	0.425	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	125.3	-179.2	-69.6	-176.5	1.4	0	0	112	W439 S440 M444 K448	W439-Q446 VanDerWaalsContact CA-O 3.3Å; W439-Q446 WeakPolarHBondContact CA-O 3.42Å; W439-Q446 WeakPolarHBondContact CB-O 3.33Å; S440-Q446 PolarHBondContact N-O 2.86Å; S440-Q446 PolarHBondContact O-N 3.32Å; M444-Q446 HydrophobicContact CB-CG 4.46Å; M444-Q446 PolarHBondContact O-N 3.14Å; M444-Q446 VanDerWaalsContact O-N 3.1Å; Q446-K448 PolarHBondContact O-N 3.08Å
447	T	94.9	Very high	91	Very high	41 Å²	41	55.8 Å²	55.8	25%	0.252	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.6	173.1	-58.6	0	0	0	0	111.4	Y408 E410 A449 T450	Y408-T447 WeakPolarHBondContact CE2-OG1 3.46Å; Y408-T447 PolarHBondContact OH-OG1 2.77Å; E410-T447 WeakPolarHBondContact OE1-CB 3.38Å; E410-T447 PolarHBondContact OE1-OG1 2.66Å; E410-T447 PolarHBondContact OE2-OG1 3Å; E410-T447 VanDerWaalsContact OE2-OG1 3.06Å; T447-A449 WeakPolarHBondContact CG2-O 3.27Å; T447-T450 WeakPolarHBondContact CG2-OG1 3.4Å
448	K	91.8	Very high	90.9	Very high	88 Å²	88	56.1 Å²	56.1	38%	0.383	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-35.5	179.5	-52	-57.5	-179.2	176.8	0	111.2	V438 Q446 K487	V438-K448 WeakPolarHBondContact O-CA 3.44Å; V438-K448 PolarHBondContact O-N 2.83Å; Q446-K448 PolarHBondContact O-N 3.08Å; K448-K487 WeakPolarHBondContact O-CE 3.35Å; K448-K487 PolarHBondContact O-NZ 3.3Å
449	A	92	Very high	90.9	Very high	6 Å²	6	56.1 Å²	56.1	5%	0.05	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.9	170.3	0	0	0	0	0	111.7	V438 T447 K487	V438-A449 HydrophobicContact CB-CB 4.3Å; V438-A449 PolarHBondContact N-O 3.26Å; V438-A449 PolarHBondContact O-N 3.01Å; T447-A449 WeakPolarHBondContact CG2-O 3.27Å; A449-K487 HydrophobicContact CB-CD 4.36Å; A449-K487 HydrophobicContact CB-CG 4.49Å
450	T	94.3	Very high	90.9	Very high	66 Å²	66	56.1 Å²	56.1	41%	0.405	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.3	164.3	-66.9	0	0	0	0	107.1	V435 I436 K437 T447	V435-T450 HydrophobicContact CG1-CG2 3.79Å; I436-T450 CarbonylContact O-C 3.55Å; I436-T450 WeakPolarHBondContact O-CA 3.47Å; K437-T450 HydrophobicContact CG-CG2 4.2Å; K437-T450 PolarHBondContact NZ-OG1 2.89Å; T447-T450 WeakPolarHBondContact CG2-OG1 3.4Å
451	I	92.9	Very high	91	Very high	23 Å²	23	56.9 Å²	56.9	12%	0.118	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.7	-174.2	-33.7	169.9	0	0	0	106.4	V435 I436 Y482	V435-I451 WeakPolarHBondContact CA-O 3.35Å; I436-I451 HydrophobicContact CB-CB 4.08Å; I436-I451 HydrophobicContact CB-CD1 4Å; I436-I451 HydrophobicContact CB-CG1 4.2Å; I436-I451 HydrophobicContact CD1-CB 4.09Å; I436-I451 HydrophobicContact CD1-CD1 3.9Å; I436-I451 HydrophobicContact CD1-CG2 4.42Å; I436-I451 HydrophobicContact CG2-CD1 4.06Å; I436-I451 PolarHBondContact N-O 2.9Å; I436-I451 PolarHBondContact O-N 3.08Å; I451-Y482 HydrophobicContact CD1-CD1 3.4Å; I451-Y482 VanDerWaalsContact CD1-CD1 3.4Å; I451-Y482 HydrophobicContact CD1-CD2 4.12Å; I451-Y482 HydrophobicContact CD1-CE1 3.23Å; I451-Y482 HydrophobicContact CD1-CE2 4Å; I451-Y482 HydrophobicContact CD1-CG 3.84Å; I451-Y482 HydrophobicContact CG1-CD1 4.42Å; I451-Y482 HydrophobicContact CG1-CE1 3.8Å; I451-Y482 HydrophobicContact CG1-CE2 4.21Å; I451-Y482 HydrophobicContact CG2-CD2 4.35Å; I451-Y482 HydrophobicContact CG2-CE2 3.93Å
452	M	91.6	Very high	91.3	Very high	152 Å²	152	56.4 Å²	56.4	75%	0.749	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	114.6	175.2	-60.4	-171	-61.7	0	0	108.6	V435	V435-M452 HydrophobicContact CG1-CG 4.28Å; V435-M452 HydrophobicContact CG2-CG 4.22Å
453	S	88.6	Confident	91.6	Very high	26 Å²	26	52.1 Å²	52.1	18%	0.182	27%	0.27	C	S	.	.			trans	-79.3	141	174.7	-173.7	0	0	0	0	110.5	G434 S455 R480	G434-S453 PolarHBondContact O-N 2.88Å; S453-S455 VanDerWaalsContact CB-O 3.27Å; S453-S455 WeakPolarHBondContact CB-O 3.28Å; S453-S455 PolarHBondContact OG-N 2.85Å; S453-S455 PolarHBondContact OG-O 3.3Å; S453-S455 PolarHBondContact OG-OG 3.43Å; S453-R480 PolarHBondContact OG-NH1 3.48Å; S453-R480 VanDerWaalsContact OG-NH1 3.13Å
454	K	86.4	Confident	91.7	Very high	222 Å²	222	51 Å²	51	97%	0.965	26%	0.263	S	S	*	.	S	Bend	trans	-81.7	-20.7	169.5	-67.2	-177.6	179.8	178.1	0	112.8
455	S	88.8	Confident	91.3	Very high	13 Å²	13	53.3 Å²	53.3	9%	0.091	27%	0.27	C	S	.	.	S	Bend	trans	-104.7	146	175.9	53.8	0	0	0	0	109.8	S453 L457 R480	S453-S455 VanDerWaalsContact CB-O 3.27Å; S453-S455 WeakPolarHBondContact CB-O 3.28Å; S453-S455 PolarHBondContact OG-N 2.85Å; S453-S455 PolarHBondContact OG-O 3.3Å; S453-S455 PolarHBondContact OG-OG 3.43Å; S455-L457 PolarHBondContact O-N 3.16Å; S455-R480 PolarHBondContact OG-NH1 3.26Å; S455-R480 PolarHBondContact OG-NH2 2.94Å
456	P	90.5	Very high	90.7	Very high	80 Å²	80	54.3 Å²	54.3	52%	0.519	28%	0.28	S	S	.	.			trans	-57.3	139.6	174.2	25.6	-34.6	0	0	0	109.7	S474 G475	P456-S474 CarbonylContact O-C 3.58Å; P456-S474 VanDerWaalsContact O-CA 3.29Å; P456-S474 WeakPolarHBondContact O-CA 3.42Å; P456-S474 WeakPolarHBondContact O-CB 3.38Å; P456-G475 PolarHBondContact O-N 3.15Å
457	L	95	Very high	89.8	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	143.7	173.4	-64.1	176.7	0	0	0	109	M416 L430 I436 S455 L472 G473	M416-L457 WeakPolarHBondContact CE-O 3.48Å; L430-L457 HydrophobicContact CD1-CB 4.05Å; L430-L457 HydrophobicContact CD1-CD1 3.92Å; L430-L457 HydrophobicContact CD2-CB 3.72Å; L430-L457 HydrophobicContact CD2-CD1 4.4Å; I436-L457 HydrophobicContact CD1-CD1 3.56Å; I436-L457 HydrophobicContact CG1-CD1 3.85Å; S455-L457 PolarHBondContact O-N 3.16Å; L457-L472 HydrophobicContact CD2-CB 4.32Å; L457-G473 WeakPolarHBondContact CA-O 3.12Å
458	L	94.8	Very high	89.4	Confident	28 Å²	28	55 Å²	55	15%	0.147	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-27.5	-173.4	-65.8	179.3	0	0	0	112.3	H417 G473 R501 I502	H417-L458 PolarHBondContact NE2-O 2.91Å; L458-G473 PolarHBondContact N-O 3.38Å; L458-R501 HydrophobicContact CD1-CB 3.71Å; L458-R501 HydrophobicContact CD1-CG 4.15Å; L458-I502 VanDerWaalsContact CB-O 3.3Å; L458-I502 WeakPolarHBondContact CB-O 3.17Å
459	S	95.3	Very high	89.4	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	148.1	177.7	47.2	0	0	0	0	111.7	G473 I502	S459-G473 PolarHBondContact N-O 3.23Å; S459-G473 PolarHBondContact O-N 2.94Å; S459-G473 WeakPolarHBondContact OG-CA 3.13Å; S459-I502 PolarHBondContact OG-O 2.78Å
460	L	95.8	Very high	89.5	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	126.8	179.2	174.2	157	0	0	0	107.8	H417 R419 A428 L430 I436 L470 L471 L472	H417-L460 HydrophobicContact CB-CB 4.1Å; R419-L460 HydrophobicContact CB-CD2 4.02Å; R419-L460 HydrophobicContact CG-CD2 3.9Å; A428-L460 HydrophobicContact CB-CD1 4.25Å; A428-L460 HydrophobicContact CB-CD2 3.98Å; L430-L460 HydrophobicContact CB-CD1 3.66Å; L430-L460 HydrophobicContact CD2-CB 4.13Å; L430-L460 HydrophobicContact CD2-CD1 4.35Å; I436-L460 HydrophobicContact CG2-CD1 3.95Å; L460-L470 HydrophobicContact CD1-CD2 4.25Å; L460-L470 HydrophobicContact CD2-CD1 3.98Å; L460-L470 HydrophobicContact CG-CD1 4.04Å; L460-L470 HydrophobicContact CG-CD2 4.43Å; L460-L470 HydrophobicContact CG-CG 4.41Å; L460-L471 WeakPolarHBondContact CA-O 3.09Å; L460-L472 HydrophobicContact CB-CD2 4.4Å; L460-L472 HydrophobicContact CD1-CD2 4.04Å; L460-L472 HydrophobicContact CG-CD2 4.09Å
461	E	95.5	Very high	89.6	Confident	32 Å²	32	48.5 Å²	48.5	15%	0.15	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	144.1	177.2	-163.9	68.2	-166.2	0	0	110	R419 L471 L505 R669	R419-E461 IonicContact CZ-OE2 2.83Å; R419-E461 VanDerWaalsContact CZ-OE2 3.27Å; R419-E461 IonicContact NE-OE1 3.4Å; R419-E461 IonicContact NE-OE2 3.72Å; R419-E461 PolarHBondContact NE-OE2 3.27Å; R419-E461 IonicContact NH2-OE2 2.65Å; R419-E461 PolarHBondContact NH2-OE2 2.84Å; E461-L471 PolarHBondContact N-O 3.16Å; E461-L471 VanDerWaalsContact N-O 3.13Å; E461-L471 PolarHBondContact O-N 3.11Å; E461-L505 HydrophobicContact CB-CB 4.05Å; E461-R669 IonicContact OE1-NH2 3.77Å; E461-R669 PolarHBondContact OE1-NH2 3.08Å; E461-R669 VanDerWaalsContact OE1-NH2 3.14Å; E461-R669 IonicContact OE2-NH2 3.26Å
462	W	94.2	Very high	89.7	Confident	13 Å²	13	47.6 Å²	47.6	5%	0.049	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	148.7	176	-73.2	103.6	0	0	0	111.7	R419 V420 D421 R426 A428 V438 D467 L470 T484 C507	R419-W462 PolarHBondContact O-NE1 2.77Å; V420-W462 PolarHBondContact O-NE1 2.9Å; D421-W462 HydrophobicContact CB-CD2 3.79Å; D421-W462 HydrophobicContact CB-CE3 4.11Å; D421-W462 HydrophobicContact CB-CG 4.19Å; D421-W462 HydrophobicContact CB-CH2 4.28Å; D421-W462 HydrophobicContact CB-CZ2 3.97Å; D421-W462 HydrophobicContact CB-CZ3 4.35Å; R426-W462 HydrophobicContact CB-CH2 4.01Å; R426-W462 HydrophobicContact CB-CZ2 3.99Å; A428-W462 HydrophobicContact CB-CH2 4.33Å; A428-W462 HydrophobicContact CB-CZ2 3.49Å; A428-W462 VanDerWaalsContact CB-CZ2 3.49Å; V438-W462 HydrophobicContact CG1-CH2 3.82Å; V438-W462 HydrophobicContact CG1-CZ2 4.35Å; W462-D467 VanDerWaalsContact CZ3-O 3.3Å; W462-D467 WeakPolarHBondContact CZ3-O 3.37Å; W462-L470 HydrophobicContact CD2-CD1 3.73Å; W462-L470 HydrophobicContact CE3-CB 4.43Å; W462-L470 HydrophobicContact CE3-CD1 3.94Å; W462-L470 HydrophobicContact CG-CD1 4.07Å; W462-L470 HydrophobicContact CZ3-CD1 4.44Å; W462-T484 HydrophobicContact CH2-CG2 4.16Å; W462-T484 HydrophobicContact CZ3-CG2 3.96Å; W462-C507 PolarHBondContact O-SG 2.98Å; W462-C507 VanDerWaalsContact O-SG 3.35Å
463	A	91.3	Very high	89.9	Confident	9 Å²	9	40.4 Å²	40.4	7%	0.074	20%	0.203	C	C	.	.			trans	-74.1	126.2	164.7	0	0	0	0	0	109.6	K465 L469 L471	A463-K465 PolarHBondContact O-N 2.94Å; A463-L469 HydrophobicContact CB-CB 3.75Å; A463-L469 WeakPolarHBondContact CB-O 3.33Å; A463-L469 PolarHBondContact N-O 3.01Å; A463-L471 HydrophobicContact CB-CD1 3.96Å
464	T	83.2	Confident	90.2	Very high	44 Å²	44	39.1 Å²	39.1	27%	0.27	20%	0.195	S	C	.	.	S	Bend	trans	-58.8	-30.2	177.8	51	0	0	0	0	113.2	C507 S508 G511	T464-C507 HydrophobicContact CG2-CB 3.96Å; T464-S508 PolarHBondContact OG1-O 3.3Å; T464-G511 WeakPolarHBondContact OG1-CA 3.38Å; T464-G511 PolarHBondContact OG1-N 3.34Å
465	K	76.6	Confident	90.4	Very high	134 Å²	134	29.3 Å²	29.3	58%	0.583	16%	0.157	S	C	*	.	S	Bend	trans	-148.1	125	172.8	-61.8	177.1	-177.1	146.4	0	109.7	A463 P509	A463-K465 PolarHBondContact O-N 2.94Å; K465-P509 PolarHBondContact NZ-O 2.91Å
466	P	77.2	Confident	90.5	Very high	66 Å²	66	32.4 Å²	32.4	43%	0.429	18%	0.175	S	C	.	.	S	Bend	cis	-87.6	156.2	-12.6	35.9	-33	0	0	0	112.7	R468 L469	P466-R468 HydrophobicContact CG-CG 4.29Å; P466-R468 PolarHBondContact O-N 3.07Å; P466-L469 HydrophobicContact CG-CD1 4.21Å; P466-L469 HydrophobicContact CG-CG 4.15Å; P466-L469 PolarHBondContact O-N 2.93Å; P466-L469 VanDerWaalsContact O-N 3.11Å
467	D	74.6	Confident	90.6	Very high	48 Å²	48	28.7 Å²	28.7	26%	0.257	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	1.3	-175.8	-51.8	-92	0	0	0	116.5	S422 S423 R426 W462	S422-D467 WeakPolarHBondContact CB-OD1 3.35Å; S422-D467 PolarHBondContact OG-OD1 2.97Å; S423-D467 PolarHBondContact N-OD1 3.12Å; R426-D467 PolarHBondContact NE-O 2.84Å; R426-D467 PolarHBondContact NH2-O 3.37Å; W462-D467 VanDerWaalsContact CZ3-O 3.3Å; W462-D467 WeakPolarHBondContact CZ3-O 3.37Å
468	R	86.9	Confident	90.5	Very high	98 Å²	98	29.1 Å²	29.1	37%	0.37	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-11.4	177	78.9	178.2	-164	-147.7	-5.3	114.2	P466 D483 T484 E485	P466-R468 HydrophobicContact CG-CG 4.29Å; P466-R468 PolarHBondContact O-N 3.07Å; R468-D483 IonicContact CZ-OD2 2.77Å; R468-D483 IonicContact NE-OD1 2.84Å; R468-D483 PolarHBondContact NE-OD1 3.02Å; R468-D483 IonicContact NE-OD2 3.07Å; R468-D483 PolarHBondContact NE-OD2 3.2Å; R468-D483 IonicContact NH2-OD2 3.14Å; R468-D483 PolarHBondContact NH2-OD2 3.1Å; R468-T484 WeakPolarHBondContact CA-OG1 3.43Å; R468-T484 WeakPolarHBondContact O-CB 3.25Å; R468-T484 WeakPolarHBondContact O-CG2 3.45Å; R468-T484 PolarHBondContact O-N 2.93Å; R468-T484 PolarHBondContact O-OG1 3.44Å; R468-E485 HydrophobicContact CB-CB 4.39Å; R468-E485 WeakPolarHBondContact CD-OE2 3.27Å; R468-E485 IonicContact CZ-OE2 3.84Å; R468-E485 IonicContact NE-OE2 2.71Å; R468-E485 IonicContact NH1-OE2 3.96Å; R468-E485 PolarHBondContact NH1-OE2 3.47Å
469	L	92	Very high	90.5	Very high	23 Å²	23	27.9 Å²	27.9	12%	0.12	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.5	-178.3	-54.9	-179.9	0	0	0	111	A463 P466 L481 Y482 D483 L490	A463-L469 HydrophobicContact CB-CB 3.75Å; A463-L469 WeakPolarHBondContact CB-O 3.33Å; A463-L469 PolarHBondContact N-O 3.01Å; P466-L469 HydrophobicContact CG-CD1 4.21Å; P466-L469 HydrophobicContact CG-CG 4.15Å; P466-L469 PolarHBondContact O-N 2.93Å; P466-L469 VanDerWaalsContact O-N 3.11Å; L469-L481 HydrophobicContact CB-CD1 4.07Å; L469-L481 HydrophobicContact CD1-CD1 4.48Å; L469-L481 HydrophobicContact CD1-CD2 4.2Å; L469-Y482 WeakPolarHBondContact CA-O 3.4Å; L469-D483 HydrophobicContact CD2-CB 3.82Å; L469-L490 HydrophobicContact CD2-CD1 3.66Å
470	L	94.4	Very high	90.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.9	-177.8	-171.4	69.7	0	0	0	108.8	A428 I436 V438 L460 W462 L472 Y482 T484	A428-L470 HydrophobicContact CB-CD1 3.76Å; A428-L470 HydrophobicContact CB-CD2 3.94Å; I436-L470 HydrophobicContact CG2-CD2 4.02Å; V438-L470 HydrophobicContact CG2-CD2 4.29Å; L460-L470 HydrophobicContact CD1-CD2 4.25Å; L460-L470 HydrophobicContact CD2-CD1 3.98Å; L460-L470 HydrophobicContact CG-CD1 4.04Å; L460-L470 HydrophobicContact CG-CD2 4.43Å; L460-L470 HydrophobicContact CG-CG 4.41Å; W462-L470 HydrophobicContact CD2-CD1 3.73Å; W462-L470 HydrophobicContact CE3-CB 4.43Å; W462-L470 HydrophobicContact CE3-CD1 3.94Å; W462-L470 HydrophobicContact CG-CD1 4.07Å; W462-L470 HydrophobicContact CZ3-CD1 4.44Å; L470-L472 HydrophobicContact CD2-CD2 3.79Å; L470-L472 HydrophobicContact CD2-CG 4.45Å; L470-L472 HydrophobicContact CG-CD2 3.94Å; L470-L472 HydrophobicContact CG-CG 4.38Å; L470-Y482 PolarHBondContact N-O 2.87Å; L470-Y482 PolarHBondContact O-N 3.14Å; L470-T484 HydrophobicContact CB-CG2 4.28Å
471	L	95	Very high	90.4	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.8	175.4	-72.9	74.9	0	0	0	109.1	L460 E461 A463 V479 R480 L481 L505 F514	L460-L471 WeakPolarHBondContact CA-O 3.09Å; E461-L471 PolarHBondContact N-O 3.16Å; E461-L471 VanDerWaalsContact N-O 3.13Å; E461-L471 PolarHBondContact O-N 3.11Å; A463-L471 HydrophobicContact CB-CD1 3.96Å; L471-V479 HydrophobicContact CB-CG1 4.5Å; L471-R480 WeakPolarHBondContact CA-O 3.16Å; L471-L481 HydrophobicContact CD1-CD1 3.52Å; L471-L481 HydrophobicContact CG-CD1 3.81Å; L471-L505 HydrophobicContact CB-CD1 4.02Å; L471-F514 HydrophobicContact CD2-CB 3.81Å; L471-F514 HydrophobicContact CD2-CD1 3.81Å; L471-F514 HydrophobicContact CD2-CD2 3.66Å; L471-F514 HydrophobicContact CD2-CE1 4.24Å; L471-F514 HydrophobicContact CD2-CE2 4.12Å; L471-F514 HydrophobicContact CD2-CG 3.48Å; L471-F514 VanDerWaalsContact CD2-CG 3.48Å; L471-F514 HydrophobicContact CD2-CZ 4.38Å
472	L	95.9	Very high	90.3	Very high	4 Å²	4	29 Å²	29	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	104.7	-171.9	-60.1	171.4	0	0	0	109.6	I436 L457 L460 L470 V479 R480	I436-L472 HydrophobicContact CD1-CD1 3.4Å; I436-L472 VanDerWaalsContact CD1-CD1 3.4Å; I436-L472 HydrophobicContact CD1-CD2 3.45Å; I436-L472 VanDerWaalsContact CD1-CD2 3.45Å; I436-L472 HydrophobicContact CD1-CG 4.03Å; I436-L472 HydrophobicContact CG1-CD2 4.25Å; L457-L472 HydrophobicContact CD2-CB 4.32Å; L460-L472 HydrophobicContact CB-CD2 4.4Å; L460-L472 HydrophobicContact CD1-CD2 4.04Å; L460-L472 HydrophobicContact CG-CD2 4.09Å; L470-L472 HydrophobicContact CD2-CD2 3.79Å; L470-L472 HydrophobicContact CD2-CG 4.45Å; L470-L472 HydrophobicContact CG-CD2 3.94Å; L470-L472 HydrophobicContact CG-CG 4.38Å; L472-V479 WeakPolarHBondContact O-CA 3.38Å; L472-R480 HydrophobicContact CB-CB 4.33Å; L472-R480 PolarHBondContact N-O 2.93Å; L472-R480 PolarHBondContact O-N 3.33Å
473	G	95.3	Very high	90.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126	179.4	0	0	0	0	0	111	L457 L458 S459 L505	L457-G473 WeakPolarHBondContact CA-O 3.12Å; L458-G473 PolarHBondContact N-O 3.38Å; S459-G473 PolarHBondContact N-O 3.23Å; S459-G473 PolarHBondContact O-N 2.94Å; S459-G473 WeakPolarHBondContact OG-CA 3.13Å; G473-L505 VanDerWaalsContact N-CD1 3.35Å
474	S	94.6	Very high	90.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	168.1	-177.3	71.9	0	0	0	0	114	P456 V476 T478 I502	P456-S474 CarbonylContact O-C 3.58Å; P456-S474 VanDerWaalsContact O-CA 3.29Å; P456-S474 WeakPolarHBondContact O-CA 3.42Å; P456-S474 WeakPolarHBondContact O-CB 3.38Å; S474-V476 VanDerWaalsContact C-N 3.26Å; S474-V476 WeakPolarHBondContact OG-CG2 3.43Å; S474-V476 PolarHBondContact OG-N 3.45Å; S474-T478 WeakPolarHBondContact CB-O 3.38Å; S474-T478 PolarHBondContact N-O 3.01Å; S474-T478 PolarHBondContact OG-N 3.1Å; S474-T478 PolarHBondContact OG-O 2.88Å; S474-T478 PolarHBondContact OG-OG1 2.84Å; S474-I502 WeakPolarHBondContact O-CB 3.27Å; S474-I502 WeakPolarHBondContact O-CG1 3.11Å; S474-I502 PolarHBondContact O-N 2.95Å
475	G	91.6	Very high	90.4	Very high	16 Å²	16	32.6 Å²	32.6	17%	0.165	16%	0.164	C	C	.	.	S	Bend	trans	-85.7	14	167	0	0	0	0	0	114.7	P456 P500	P456-G475 PolarHBondContact O-N 3.15Å; G475-P500 CarbonylContact C-O 3.5Å; G475-P500 WeakPolarHBondContact CA-O 3.29Å
476	V	91.4	Very high	91	Very high	77 Å²	77	28.8 Å²	28.8	47%	0.467	16%	0.158	S	C	.	.	S	Bend	trans	-126.3	24.6	-178.2	-59.3	0	0	0	0	112.8	S474 T478 P500	S474-V476 VanDerWaalsContact C-N 3.26Å; S474-V476 WeakPolarHBondContact OG-CG2 3.43Å; S474-V476 PolarHBondContact OG-N 3.45Å; V476-T478 PolarHBondContact O-N 3.2Å; V476-P500 PolarHBondContact N-O 3.48Å
477	G	91.7	Very high	91.7	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.031	16%	0.162	C	C	.	.	S	Bend	trans	77.6	14.4	175.5	0	0	0	0	0	114.9	I495 P500	G477-I495 WeakPolarHBondContact O-CB 3.39Å; G477-I495 PolarHBondContact O-N 2.87Å; G477-P500 PolarHBondContact N-O 3.46Å
478	T	93.7	Very high	92.5	Very high	13 Å²	13	34.7 Å²	34.7	8%	0.08	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140	179	80.3	0	0	0	0	113.8	S474 V476 E492 M493 N494	S474-T478 WeakPolarHBondContact CB-O 3.38Å; S474-T478 PolarHBondContact N-O 3.01Å; S474-T478 PolarHBondContact OG-N 3.1Å; S474-T478 PolarHBondContact OG-O 2.88Å; S474-T478 PolarHBondContact OG-OG1 2.84Å; V476-T478 PolarHBondContact O-N 3.2Å; T478-E492 VanDerWaalsContact CB-OE1 3.28Å; T478-E492 WeakPolarHBondContact CB-OE1 3.29Å; T478-E492 HydrophobicContact CG2-CG 4.2Å; T478-E492 WeakPolarHBondContact CG2-OE1 3.45Å; T478-E492 PolarHBondContact OG1-OE1 3.1Å; T478-M493 CarbonylContact C-O 3.03Å; T478-M493 VanDerWaalsContact CA-O 3.28Å; T478-M493 WeakPolarHBondContact CA-O 3.49Å; T478-N494 VanDerWaalsContact CG2-OD1 3.28Å; T478-N494 WeakPolarHBondContact CG2-OD1 3.31Å
479	V	95.4	Very high	92.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124	166	177.8	0	0	0	0	108	L471 L472 M493 I495 I502 L505 F514 C516	L471-V479 HydrophobicContact CB-CG1 4.5Å; L472-V479 WeakPolarHBondContact O-CA 3.38Å; V479-M493 HydrophobicContact CB-CB 4.38Å; V479-M493 HydrophobicContact CB-SD 4.1Å; V479-M493 HydrophobicContact CG1-SD 3.97Å; V479-M493 PolarHBondContact N-O 3.15Å; V479-M493 PolarHBondContact O-N 3.02Å; V479-M493 VanDerWaalsContact O-SD 3.39Å; V479-I495 HydrophobicContact CG2-CD1 3.8Å; V479-I502 HydrophobicContact CG2-CG1 4.27Å; V479-I502 HydrophobicContact CG2-CG2 3.95Å; V479-L505 HydrophobicContact CG1-CD1 4.41Å; V479-L505 HydrophobicContact CG1-CD2 4.1Å; V479-L505 HydrophobicContact CG2-CD2 4.07Å; V479-F514 HydrophobicContact CG1-CE2 4Å; V479-F514 HydrophobicContact CG1-CZ 4.15Å; V479-F514 HydrophobicContact CG2-CE2 4.47Å; V479-C516 HydrophobicContact CG2-CB 4.49Å
480	R	94.3	Very high	92.5	Very high	37 Å²	37	35.5 Å²	35.5	14%	0.14	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.1	176.7	-62.3	-179.4	-176.8	113.1	16.9	110.3	S453 S455 L471 L472 Y491 E492	S453-R480 PolarHBondContact OG-NH1 3.48Å; S453-R480 VanDerWaalsContact OG-NH1 3.13Å; S455-R480 PolarHBondContact OG-NH1 3.26Å; S455-R480 PolarHBondContact OG-NH2 2.94Å; L471-R480 WeakPolarHBondContact CA-O 3.16Å; L472-R480 HydrophobicContact CB-CB 4.33Å; L472-R480 PolarHBondContact N-O 2.93Å; L472-R480 PolarHBondContact O-N 3.33Å; R480-Y491 WeakPolarHBondContact CA-O 3.36Å; R480-E492 HydrophobicContact CG-CB 4.25Å; R480-E492 HydrophobicContact CG-CG 3.9Å; R480-E492 IonicContact CZ-OE1 2.77Å; R480-E492 IonicContact CZ-OE2 3.27Å; R480-E492 IonicContact NE-OE1 3.73Å; R480-E492 PolarHBondContact NE-OE1 3.02Å; R480-E492 IonicContact NE-OE2 3.95Å; R480-E492 PolarHBondContact NE-OE2 2.95Å; R480-E492 IonicContact NH2-OE1 2.78Å; R480-E492 PolarHBondContact NH2-OE1 2.99Å; R480-E492 IonicContact NH2-OE2 3.76Å
481	L	93.3	Very high	92.3	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	106.9	168.9	-169.8	68.7	0	0	0	108.6	L469 L471 L490 Y491 M493	L469-L481 HydrophobicContact CB-CD1 4.07Å; L469-L481 HydrophobicContact CD1-CD1 4.48Å; L469-L481 HydrophobicContact CD1-CD2 4.2Å; L471-L481 HydrophobicContact CD1-CD1 3.52Å; L471-L481 HydrophobicContact CG-CD1 3.81Å; L481-L490 HydrophobicContact CD2-CD1 4.45Å; L481-L490 PolarHBondContact O-N 2.96Å; L481-Y491 HydrophobicContact CD2-CD2 3.96Å; L481-Y491 PolarHBondContact N-O 3.21Å; L481-M493 HydrophobicContact CB-CE 4.19Å
482	Y	93.4	Very high	92.1	Very high	13 Å²	13	45.1 Å²	45.1	5%	0.051	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.5	-178.6	-175.3	-95.2	0	0	0	111.5	I451 L469 L470 T484 K487 K488 N489	I451-Y482 HydrophobicContact CD1-CD1 3.4Å; I451-Y482 VanDerWaalsContact CD1-CD1 3.4Å; I451-Y482 HydrophobicContact CD1-CD2 4.12Å; I451-Y482 HydrophobicContact CD1-CE1 3.23Å; I451-Y482 HydrophobicContact CD1-CE2 4Å; I451-Y482 HydrophobicContact CD1-CG 3.84Å; I451-Y482 HydrophobicContact CG1-CD1 4.42Å; I451-Y482 HydrophobicContact CG1-CE1 3.8Å; I451-Y482 HydrophobicContact CG1-CE2 4.21Å; I451-Y482 HydrophobicContact CG2-CD2 4.35Å; I451-Y482 HydrophobicContact CG2-CE2 3.93Å; L469-Y482 WeakPolarHBondContact CA-O 3.4Å; L470-Y482 PolarHBondContact N-O 2.87Å; L470-Y482 PolarHBondContact O-N 3.14Å; Y482-T484 HydrophobicContact CD1-CG2 3.95Å; Y482-T484 HydrophobicContact CE1-CG2 4.22Å; Y482-K487 VanDerWaalsContact CZ-C 3.42Å; Y482-K487 WeakPolarHBondContact OH-CA 3.45Å; Y482-K487 PolarHBondContact OH-O 3.35Å; Y482-K487 VanDerWaalsContact OH-O 3.11Å; Y482-K488 VanDerWaalsContact CD2-C 3.42Å; Y482-K488 WeakPolarHBondContact CD2-O 3.47Å; Y482-N489 WeakPolarHBondContact CD2-OD1 3.39Å
483	D	92.8	Very high	91.9	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	113.1	172.4	-168.5	-47.9	0	0	0	109.9	R468 L469 E485 A486 K487 K488 L490	R468-D483 IonicContact CZ-OD2 2.77Å; R468-D483 IonicContact NE-OD1 2.84Å; R468-D483 PolarHBondContact NE-OD1 3.02Å; R468-D483 IonicContact NE-OD2 3.07Å; R468-D483 PolarHBondContact NE-OD2 3.2Å; R468-D483 IonicContact NH2-OD2 3.14Å; R468-D483 PolarHBondContact NH2-OD2 3.1Å; L469-D483 HydrophobicContact CD2-CB 3.82Å; D483-E485 VanDerWaalsContact C-N 3.29Å; D483-E485 PolarHBondContact O-N 3.45Å; D483-E485 WeakPolarHBondContact OD1-CB 3.44Å; D483-E485 PolarHBondContact OD1-N 2.95Å; D483-A486 HydrophobicContact CB-CB 4.13Å; D483-A486 PolarHBondContact OD1-N 3.01Å; D483-K487 WeakPolarHBondContact O-CA 3.29Å; D483-K487 PolarHBondContact O-N 3.15Å; D483-K488 PolarHBondContact N-O 2.8Å; D483-K488 PolarHBondContact O-N 2.92Å; D483-L490 HydrophobicContact CB-CD1 4.1Å; D483-L490 HydrophobicContact CB-CD2 3.92Å; D483-L490 HydrophobicContact CB-CG 3.92Å
484	T	90.2	Very high	91.8	Very high	10 Å²	10	50.6 Å²	50.6	6%	0.061	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.6	-176.4	62.6	0	0	0	0	114.1	V438 W462 R468 L470 Y482	V438-T484 HydrophobicContact CB-CG2 4.45Å; V438-T484 HydrophobicContact CG1-CG2 4.1Å; V438-T484 HydrophobicContact CG2-CG2 3.88Å; W462-T484 HydrophobicContact CH2-CG2 4.16Å; W462-T484 HydrophobicContact CZ3-CG2 3.96Å; R468-T484 WeakPolarHBondContact CA-OG1 3.43Å; R468-T484 WeakPolarHBondContact O-CB 3.25Å; R468-T484 WeakPolarHBondContact O-CG2 3.45Å; R468-T484 PolarHBondContact O-N 2.93Å; R468-T484 PolarHBondContact O-OG1 3.44Å; L470-T484 HydrophobicContact CB-CG2 4.28Å; Y482-T484 HydrophobicContact CD1-CG2 3.95Å; Y482-T484 HydrophobicContact CE1-CG2 4.22Å
485	E	88.7	Confident	91.4	Very high	127 Å²	127	51.1 Å²	51.1	59%	0.593	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-49.9	178	-174	177.5	-150.7	0	0	110.4	R468 D483 K487	R468-E485 HydrophobicContact CB-CB 4.39Å; R468-E485 WeakPolarHBondContact CD-OE2 3.27Å; R468-E485 IonicContact CZ-OE2 3.84Å; R468-E485 IonicContact NE-OE2 2.71Å; R468-E485 IonicContact NH1-OE2 3.96Å; R468-E485 PolarHBondContact NH1-OE2 3.47Å; D483-E485 VanDerWaalsContact C-N 3.29Å; D483-E485 PolarHBondContact O-N 3.45Å; D483-E485 WeakPolarHBondContact OD1-CB 3.44Å; D483-E485 PolarHBondContact OD1-N 2.95Å; E485-K487 PolarHBondContact O-N 3.05Å
486	A	89.8	Confident	90.9	Very high	54 Å²	54	54.3 Å²	54.3	45%	0.446	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.5	175.2	0	0	0	0	0	113.7	D483 K488	D483-A486 HydrophobicContact CB-CB 4.13Å; D483-A486 PolarHBondContact OD1-N 3.01Å; A486-K488 VanDerWaalsContact C-N 3.3Å; A486-K488 HydrophobicContact CB-CD 4.37Å; A486-K488 HydrophobicContact CB-CG 4.04Å; A486-K488 PolarHBondContact O-N 3.32Å
487	K	90.4	Very high	90.4	Very high	122 Å²	122	59.1 Å²	59.1	53%	0.53	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	35.8	176.5	-52.7	-169.4	-168.4	-171	0	115.1	K448 A449 Y482 D483 E485	K448-K487 WeakPolarHBondContact O-CE 3.35Å; K448-K487 PolarHBondContact O-NZ 3.3Å; A449-K487 HydrophobicContact CB-CD 4.36Å; A449-K487 HydrophobicContact CB-CG 4.49Å; Y482-K487 VanDerWaalsContact CZ-C 3.42Å; Y482-K487 WeakPolarHBondContact OH-CA 3.45Å; Y482-K487 PolarHBondContact OH-O 3.35Å; Y482-K487 VanDerWaalsContact OH-O 3.11Å; D483-K487 WeakPolarHBondContact O-CA 3.29Å; D483-K487 PolarHBondContact O-N 3.15Å; E485-K487 PolarHBondContact O-N 3.05Å
488	K	91.3	Very high	90.2	Very high	116 Å²	116	62.8 Å²	62.8	50%	0.504	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.6	-174.9	63.4	176.1	-178.6	172.2	0	112.6	Y482 D483 A486 L490	Y482-K488 VanDerWaalsContact CD2-C 3.42Å; Y482-K488 WeakPolarHBondContact CD2-O 3.47Å; D483-K488 PolarHBondContact N-O 2.8Å; D483-K488 PolarHBondContact O-N 2.92Å; A486-K488 VanDerWaalsContact C-N 3.3Å; A486-K488 HydrophobicContact CB-CD 4.37Å; A486-K488 HydrophobicContact CB-CG 4.04Å; A486-K488 PolarHBondContact O-N 3.32Å; K488-L490 HydrophobicContact CD-CD2 4.36Å; K488-L490 HydrophobicContact CG-CD2 4.14Å; K488-L490 PolarHBondContact O-N 3Å
489	N	89.9	Confident	90.1	Very high	81 Å²	81	63.1 Å²	63.1	43%	0.433	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.2	160.4	-62.2	-29.5	0	0	0	108.4	Y482	Y482-N489 WeakPolarHBondContact CD2-OD1 3.39Å
490	L	90.6	Very high	90	Very high	58 Å²	58	63.8 Å²	63.8	30%	0.304	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-48.4	170	-59.7	-173.3	0	0	0	110.9	L469 L481 D483 K488	L469-L490 HydrophobicContact CD2-CD1 3.66Å; L481-L490 HydrophobicContact CD2-CD1 4.45Å; L481-L490 PolarHBondContact O-N 2.96Å; D483-L490 HydrophobicContact CB-CD1 4.1Å; D483-L490 HydrophobicContact CB-CD2 3.92Å; D483-L490 HydrophobicContact CB-CG 3.92Å; K488-L490 HydrophobicContact CD-CD2 4.36Å; K488-L490 HydrophobicContact CG-CD2 4.14Å; K488-L490 PolarHBondContact O-N 3Å
491	Y	89	Confident	90	Very high	120 Å²	120	64.3 Å²	64.3	47%	0.471	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.4	-177.3	-56.1	-71.9	0	0	0	110.3	R480 L481 V549	R480-Y491 WeakPolarHBondContact CA-O 3.36Å; L481-Y491 HydrophobicContact CD2-CD2 3.96Å; L481-Y491 PolarHBondContact N-O 3.21Å; Y491-V549 HydrophobicContact CD1-CG2 4Å; Y491-V549 HydrophobicContact CD2-CG2 3.97Å; Y491-V549 HydrophobicContact CE1-CG2 4.26Å; Y491-V549 HydrophobicContact CE2-CG2 4.25Å; Y491-V549 HydrophobicContact CG-CG1 4.34Å; Y491-V549 HydrophobicContact CG-CG2 3.86Å
492	E	91.8	Very high	90.1	Very high	83 Å²	83	63.9 Å²	63.9	39%	0.388	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	111.8	168.9	-177.1	152.7	-164.6	0	0	107.1	T478 R480	T478-E492 VanDerWaalsContact CB-OE1 3.28Å; T478-E492 WeakPolarHBondContact CB-OE1 3.29Å; T478-E492 HydrophobicContact CG2-CG 4.2Å; T478-E492 WeakPolarHBondContact CG2-OE1 3.45Å; T478-E492 PolarHBondContact OG1-OE1 3.1Å; R480-E492 HydrophobicContact CG-CB 4.25Å; R480-E492 HydrophobicContact CG-CG 3.9Å; R480-E492 IonicContact CZ-OE1 2.77Å; R480-E492 IonicContact CZ-OE2 3.27Å; R480-E492 IonicContact NE-OE1 3.73Å; R480-E492 PolarHBondContact NE-OE1 3.02Å; R480-E492 IonicContact NE-OE2 3.95Å; R480-E492 PolarHBondContact NE-OE2 2.95Å; R480-E492 IonicContact NH2-OE1 2.78Å; R480-E492 PolarHBondContact NH2-OE1 2.99Å; R480-E492 IonicContact NH2-OE2 3.76Å
493	M	91.8	Very high	90.2	Very high	5 Å²	5	63.7 Å²	63.7	3%	0.025	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.7	177.8	-54.7	108	175.7	0	0	108.3	T478 V479 L481 F514 W544 V549	T478-M493 CarbonylContact C-O 3.03Å; T478-M493 VanDerWaalsContact CA-O 3.28Å; T478-M493 WeakPolarHBondContact CA-O 3.49Å; V479-M493 HydrophobicContact CB-CB 4.38Å; V479-M493 HydrophobicContact CB-SD 4.1Å; V479-M493 HydrophobicContact CG1-SD 3.97Å; V479-M493 PolarHBondContact N-O 3.15Å; V479-M493 PolarHBondContact O-N 3.02Å; V479-M493 VanDerWaalsContact O-SD 3.39Å; L481-M493 HydrophobicContact CB-CE 4.19Å; M493-F514 HydrophobicContact CE-CE1 3.91Å; M493-F514 HydrophobicContact CE-CZ 4.17Å; M493-F514 HydrophobicContact CG-CZ 4.5Å; M493-F514 HydrophobicContact SD-CE1 4.16Å; M493-F514 HydrophobicContact SD-CZ 3.79Å; M493-W544 HydrophobicContact CB-CE3 4.1Å; M493-W544 HydrophobicContact CB-CH2 4.19Å; M493-W544 HydrophobicContact CB-CZ3 3.82Å; M493-W544 HydrophobicContact CG-CE3 4.09Å; M493-W544 HydrophobicContact CG-CZ3 4.11Å; M493-V549 HydrophobicContact CE-CG1 3.91Å; M493-V549 HydrophobicContact CG-CG1 3.51Å
494	N	91.8	Very high	90.3	Very high	114 Å²	114	64.3 Å²	64.3	61%	0.61	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	127.3	174.6	-62.1	-15.1	0	0	0	109.4	T478 W544	T478-N494 VanDerWaalsContact CG2-OD1 3.28Å; T478-N494 WeakPolarHBondContact CG2-OD1 3.31Å; N494-W544 WeakPolarHBondContact O-CH2 3.41Å
495	I	87.5	Confident	90.6	Very high	11 Å²	11	64.2 Å²	64.2	6%	0.056	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-101.8	161.1	172.4	-67.3	159.4	0	0	0	107.4	G477 V479 E497 I502 C516 A518 L542 W544	G477-I495 WeakPolarHBondContact O-CB 3.39Å; G477-I495 PolarHBondContact O-N 2.87Å; V479-I495 HydrophobicContact CG2-CD1 3.8Å; I495-E497 PolarHBondContact O-N 3.09Å; I495-I502 HydrophobicContact CB-CD1 4.36Å; I495-I502 HydrophobicContact CD1-CD1 3.49Å; I495-I502 VanDerWaalsContact CD1-CD1 3.49Å; I495-I502 HydrophobicContact CD1-CG1 4.2Å; I495-I502 HydrophobicContact CG2-CD1 4.31Å; I495-C516 VanDerWaalsContact CD1-SG 3.54Å; I495-A518 HydrophobicContact CG2-CB 3.86Å; I495-L542 HydrophobicContact CG1-CD1 4.24Å; I495-L542 HydrophobicContact CG2-CD1 3.64Å; I495-W544 HydrophobicContact CG1-CZ2 3.74Å
496	D	80.4	Confident	90.9	Very high	82 Å²	82	58.4 Å²	58.4	44%	0.439	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-53.1	134	-176.3	-176.9	19.7	0	0	0	113.3	T498 H499	D496-T498 VanDerWaalsContact CG-OG1 3.3Å; D496-T498 PolarHBondContact O-N 3.18Å; D496-T498 VanDerWaalsContact O-N 3.08Å; D496-T498 PolarHBondContact OD1-N 2.9Å; D496-T498 WeakPolarHBondContact OD2-CB 3.13Å; D496-T498 WeakPolarHBondContact OD2-CG2 3.29Å; D496-T498 PolarHBondContact OD2-OG1 2.65Å; D496-H499 PolarHBondContact O-N 2.93Å
497	E	81.4	Confident	91.1	Very high	179 Å²	179	56.4 Å²	56.4	84%	0.836	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.7	-178.6	-62.3	-171.8	168.4	0	0	112.5	I495 H499 P500	I495-E497 PolarHBondContact O-N 3.09Å; E497-H499 VanDerWaalsContact C-N 3.32Å; E497-H499 PolarHBondContact O-N 2.8Å; E497-P500 WeakPolarHBondContact O-CD 3.43Å
498	T	86.9	Confident	91.3	Very high	79 Å²	79	51.1 Å²	51.1	49%	0.485	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-26.3	175.8	71.8	0	0	0	0	113.6	D496 P500	D496-T498 VanDerWaalsContact CG-OG1 3.3Å; D496-T498 PolarHBondContact O-N 3.18Å; D496-T498 VanDerWaalsContact O-N 3.08Å; D496-T498 PolarHBondContact OD1-N 2.9Å; D496-T498 WeakPolarHBondContact OD2-CB 3.13Å; D496-T498 WeakPolarHBondContact OD2-CG2 3.29Å; D496-T498 PolarHBondContact OD2-OG1 2.65Å; T498-P500 VanDerWaalsContact C-CD 3.47Å; T498-P500 WeakPolarHBondContact O-CD 3.43Å
499	H	91.6	Very high	91.2	Very high	20 Å²	20	47.4 Å²	47.4	9%	0.093	24%	0.241	C	C	.	.	S	Bend	trans	-126.4	59.5	-175.8	-69.4	81.1	0	0	0	112.7	D496 E497 R501 A518 A519 A520 S538 Q540	D496-H499 PolarHBondContact O-N 2.93Å; E497-H499 VanDerWaalsContact C-N 3.32Å; E497-H499 PolarHBondContact O-N 2.8Å; H499-R501 VanDerWaalsContact C-N 3.32Å; H499-R501 PolarHBondContact O-N 3.19Å; H499-A518 HydrophobicContact CB-CB 4.02Å; H499-A519 CarbonylContact C-O 3.59Å; H499-A519 WeakPolarHBondContact CA-O 3.24Å; H499-A520 PolarHBondContact CD2-N 3.46Å; H499-A520 VanDerWaalsContact CD2-N 3.29Å; H499-S538 PolarHBondContact CD2-O 2.93Å; H499-S538 PolarHBondContact NE2-OG 2.64Å; H499-S538 VanDerWaalsContact NE2-OG 3.1Å; H499-Q540 PolarHBondContact ND1-NE2 3.09Å
500	P	92.9	Very high	91.1	Very high	15 Å²	15	46.5 Å²	46.5	10%	0.097	24%	0.241	C	C	.	.			trans	-76.9	-6.7	-164.7	32.4	-37.5	0	0	0	115.4	G475 V476 G477 E497 T498 L521	G475-P500 CarbonylContact C-O 3.5Å; G475-P500 WeakPolarHBondContact CA-O 3.29Å; V476-P500 PolarHBondContact N-O 3.48Å; G477-P500 PolarHBondContact N-O 3.46Å; E497-P500 WeakPolarHBondContact O-CD 3.43Å; T498-P500 VanDerWaalsContact C-CD 3.47Å; T498-P500 WeakPolarHBondContact O-CD 3.43Å; P500-L521 HydrophobicContact CG-CD1 4.39Å; P500-L521 HydrophobicContact CG-CD2 4.08Å; P500-L521 HydrophobicContact CG-CG 3.86Å
501	R	93.9	Very high	90.9	Very high	49 Å²	49	44.3 Å²	44.3	19%	0.185	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	101.6	-177.7	-61.3	-170.2	-63.4	147.8	6.8	110.6	L458 H499 L503 A519 A520 L521	L458-R501 HydrophobicContact CD1-CB 3.71Å; L458-R501 HydrophobicContact CD1-CG 4.15Å; H499-R501 VanDerWaalsContact C-N 3.32Å; H499-R501 PolarHBondContact O-N 3.19Å; R501-L503 HydrophobicContact CB-CD2 4.23Å; R501-L503 PolarHBondContact O-N 3.03Å; R501-L503 VanDerWaalsContact O-N 3.09Å; R501-A519 HydrophobicContact CB-CB 4.31Å; R501-A519 WeakPolarHBondContact CB-O 3.5Å; R501-A519 PolarHBondContact N-O 2.96Å; R501-A519 PolarHBondContact O-N 1.84Å; R501-A520 PolarHBondContact NE-O 3.04Å; R501-A520 PolarHBondContact NH2-O 3.18Å; R501-L521 HydrophobicContact CG-CD2 4.31Å
502	I	95.8	Very high	90.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	89.3	178.6	-49.5	-49.6	0	0	0	110.5	L458 S459 S474 V479 I495 L505 C516 S517 A518	L458-I502 VanDerWaalsContact CB-O 3.3Å; L458-I502 WeakPolarHBondContact CB-O 3.17Å; S459-I502 PolarHBondContact OG-O 2.78Å; S474-I502 WeakPolarHBondContact O-CB 3.27Å; S474-I502 WeakPolarHBondContact O-CG1 3.11Å; S474-I502 PolarHBondContact O-N 2.95Å; V479-I502 HydrophobicContact CG2-CG1 4.27Å; V479-I502 HydrophobicContact CG2-CG2 3.95Å; I495-I502 HydrophobicContact CB-CD1 4.36Å; I495-I502 HydrophobicContact CD1-CD1 3.49Å; I495-I502 VanDerWaalsContact CD1-CD1 3.49Å; I495-I502 HydrophobicContact CD1-CG1 4.2Å; I495-I502 HydrophobicContact CG2-CD1 4.31Å; I502-L505 HydrophobicContact CG2-CD2 4.38Å; I502-L505 HydrophobicContact CG2-CG 4.31Å; I502-C516 HydrophobicContact CG2-CB 4.19Å; I502-S517 CarbonylContact C-O 3.54Å; I502-S517 VanDerWaalsContact CA-O 3.26Å; I502-S517 WeakPolarHBondContact CA-O 3.28Å; I502-A518 HydrophobicContact CD1-CB 3.76Å
503	L	95	Very high	90.9	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.047	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-35.8	-169.6	-63.4	-178.8	0	0	0	113.7	R501 S517 A519 A563 I564 R667	R501-L503 HydrophobicContact CB-CD2 4.23Å; R501-L503 PolarHBondContact O-N 3.03Å; R501-L503 VanDerWaalsContact O-N 3.09Å; L503-S517 PolarHBondContact N-O 3.2Å; L503-A519 HydrophobicContact CD1-CB 3.52Å; L503-A519 HydrophobicContact CG-CB 3.91Å; L503-A563 HydrophobicContact CD1-CB 3.87Å; L503-I564 WeakPolarHBondContact CB-O 3.27Å; L503-R667 VanDerWaalsContact CD2-NH1 3.32Å
504	S	96	Very high	91.1	Very high	17 Å²	17	37.4 Å²	37.4	12%	0.119	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.1	-176.4	-123.6	0	0	0	0	112	C516 S517 N565 C566 T567	S504-C516 WeakPolarHBondContact O-CA 3.47Å; S504-S517 PolarHBondContact O-N 3.07Å; S504-N565 WeakPolarHBondContact CB-O 3.49Å; S504-N565 PolarHBondContact OG-O 3.21Å; S504-C566 WeakPolarHBondContact OG-CA 3.33Å; S504-T567 PolarHBondContact OG-N 2.98Å
505	L	96.5	Very high	91.3	Very high	7 Å²	7	32 Å²	32	4%	0.037	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.2	176.4	-77.1	168.1	0	0	0	108.5	E461 L471 G473 V479 I502 F514 V515 C516	E461-L505 HydrophobicContact CB-CB 4.05Å; L471-L505 HydrophobicContact CB-CD1 4.02Å; G473-L505 VanDerWaalsContact N-CD1 3.35Å; V479-L505 HydrophobicContact CG1-CD1 4.41Å; V479-L505 HydrophobicContact CG1-CD2 4.1Å; V479-L505 HydrophobicContact CG2-CD2 4.07Å; I502-L505 HydrophobicContact CG2-CD2 4.38Å; I502-L505 HydrophobicContact CG2-CG 4.31Å; L505-F514 HydrophobicContact CD2-CD2 3.86Å; L505-F514 HydrophobicContact CD2-CE2 3.99Å; L505-V515 WeakPolarHBondContact CA-O 3.42Å; L505-C516 HydrophobicContact CD2-CB 3.58Å
506	A	95.3	Very high	91.7	Very high	6 Å²	6	31.4 Å²	31.4	5%	0.05	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.5	170.9	0	0	0	0	0	109.7	F514 V515 F569 L576	A506-F514 CarbonylContact O-C 3.6Å; A506-F514 VanDerWaalsContact O-CA 3.27Å; A506-F514 WeakPolarHBondContact O-CA 3.3Å; A506-F514 WeakPolarHBondContact O-CB 3.42Å; A506-V515 PolarHBondContact N-O 2.87Å; A506-V515 PolarHBondContact O-N 3.33Å; A506-F569 HydrophobicContact CB-CD2 3.85Å; A506-F569 HydrophobicContact CB-CE2 3.99Å; A506-L576 HydrophobicContact CB-CD1 4.47Å
507	C	94.3	Very high	92.5	Very high	12 Å²	12	27.5 Å²	27.5	8%	0.081	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	138	173.1	-67.8	0	0	0	0	110.4	W462 T464 F569	W462-C507 PolarHBondContact O-SG 2.98Å; W462-C507 VanDerWaalsContact O-SG 3.35Å; T464-C507 HydrophobicContact CG2-CB 3.96Å; C507-F569 VanDerWaalsContact O-CD2 3.28Å; C507-F569 WeakPolarHBondContact O-CD2 3.17Å
508	S	93.1	Very high	93.1	Very high	11 Å²	11	19 Å²	19	8%	0.077	12%	0.119	C	C	.	.			trans	-61.8	140.2	170.7	177.9	0	0	0	0	110	T464 S510 G511 S513	T464-S508 PolarHBondContact OG1-O 3.3Å; S508-S510 WeakPolarHBondContact CB-OG 3.1Å; S508-S510 PolarHBondContact O-N 2.9Å; S508-S510 PolarHBondContact OG-N 3.26Å; S508-S510 PolarHBondContact OG-OG 2.81Å; S508-G511 PolarHBondContact O-N 2.89Å; S508-S513 VanDerWaalsContact CB-O 3.31Å; S508-S513 WeakPolarHBondContact CB-O 3.39Å; S508-S513 PolarHBondContact N-O 3.21Å
509	P	90.4	Very high	93.5	Very high	37 Å²	37	15.2 Å²	15.2	24%	0.24	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.8	172.2	-27.2	34.8	0	0	0	114.6	K465 F569 N570 H571	K465-P509 PolarHBondContact NZ-O 2.91Å; P509-F569 HydrophobicContact CG-CB 4.37Å; P509-N570 WeakPolarHBondContact CG-O 3.43Å; P509-H571 VanDerWaalsContact CB-O 3.24Å; P509-H571 WeakPolarHBondContact CB-O 3.44Å; P509-H571 VanDerWaalsContact CG-O 3.29Å; P509-H571 WeakPolarHBondContact CG-O 3.38Å
510	S	87.7	Confident	93.5	Very high	62 Å²	62	15 Å²	15	43%	0.434	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-28	172.3	67.5	0	0	0	0	113.8	S508 S512	S508-S510 WeakPolarHBondContact CB-OG 3.1Å; S508-S510 PolarHBondContact O-N 2.9Å; S508-S510 PolarHBondContact OG-N 3.26Å; S508-S510 PolarHBondContact OG-OG 2.81Å; S510-S512 VanDerWaalsContact C-N 3.28Å; S510-S512 PolarHBondContact O-N 3.14Å; S510-S512 PolarHBondContact OG-N 2.77Å; S510-S512 PolarHBondContact OG-OG 2.8Å
511	G	86.8	Confident	93.1	Very high	12 Å²	12	19.8 Å²	19.8	12%	0.124	12%	0.122	C	C	.	.	S	Bend	trans	76.5	0.1	-171.9	0	0	0	0	0	115.3	T464 S508 T546	T464-G511 WeakPolarHBondContact OG1-CA 3.38Å; T464-G511 PolarHBondContact OG1-N 3.34Å; S508-G511 PolarHBondContact O-N 2.89Å; G511-T546 PolarHBondContact O-OG1 3.14Å
512	S	87.7	Confident	91.9	Very high	49 Å²	49	20.9 Å²	20.9	34%	0.343	14%	0.137	S	C	.	.	S	Bend	trans	-82.4	-21.8	-178.7	58.1	0	0	0	0	114.6	S510 T546	S510-S512 VanDerWaalsContact C-N 3.28Å; S510-S512 PolarHBondContact O-N 3.14Å; S510-S512 PolarHBondContact OG-N 2.77Å; S510-S512 PolarHBondContact OG-OG 2.8Å; S512-T546 VanDerWaalsContact C-OG1 3.23Å; S512-T546 PolarHBondContact O-N 2.86Å; S512-T546 PolarHBondContact O-OG1 3.41Å; S512-T546 VanDerWaalsContact O-OG1 3.08Å
513	S	92.4	Very high	89.9	Confident	13 Å²	13	32.5 Å²	32.5	9%	0.091	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	160	-175.5	54.7	0	0	0	0	111.5	S508 W544	S508-S513 VanDerWaalsContact CB-O 3.31Å; S508-S513 WeakPolarHBondContact CB-O 3.39Å; S508-S513 PolarHBondContact N-O 3.21Å; S513-W544 CarbonylContact C-O 3.18Å; S513-W544 WeakPolarHBondContact CA-O 3.49Å; S513-W544 VanDerWaalsContact CB-O 3.25Å; S513-W544 WeakPolarHBondContact CB-O 3.35Å
514	F	95.1	Very high	87.5	Confident	1 Å²	1	37.7 Å²	37.7	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	152.8	170.1	70.9	-84.2	0	0	0	109.8	L471 V479 M493 L505 A506 C516 W544 T546	L471-F514 HydrophobicContact CD2-CB 3.81Å; L471-F514 HydrophobicContact CD2-CD1 3.81Å; L471-F514 HydrophobicContact CD2-CD2 3.66Å; L471-F514 HydrophobicContact CD2-CE1 4.24Å; L471-F514 HydrophobicContact CD2-CE2 4.12Å; L471-F514 HydrophobicContact CD2-CG 3.48Å; L471-F514 VanDerWaalsContact CD2-CG 3.48Å; L471-F514 HydrophobicContact CD2-CZ 4.38Å; V479-F514 HydrophobicContact CG1-CE2 4Å; V479-F514 HydrophobicContact CG1-CZ 4.15Å; V479-F514 HydrophobicContact CG2-CE2 4.47Å; M493-F514 HydrophobicContact CE-CE1 3.91Å; M493-F514 HydrophobicContact CE-CZ 4.17Å; M493-F514 HydrophobicContact CG-CZ 4.5Å; M493-F514 HydrophobicContact SD-CE1 4.16Å; M493-F514 HydrophobicContact SD-CZ 3.79Å; L505-F514 HydrophobicContact CD2-CD2 3.86Å; L505-F514 HydrophobicContact CD2-CE2 3.99Å; A506-F514 CarbonylContact O-C 3.6Å; A506-F514 VanDerWaalsContact O-CA 3.27Å; A506-F514 WeakPolarHBondContact O-CA 3.3Å; A506-F514 WeakPolarHBondContact O-CB 3.42Å; F514-C516 HydrophobicContact CD2-CB 4.42Å; F514-C516 HydrophobicContact CE2-CB 4.2Å; F514-W544 HydrophobicContact CD1-CB 3.83Å; F514-W544 HydrophobicContact CD2-CB 4.31Å; F514-W544 HydrophobicContact CE1-CB 3.35Å; F514-W544 HydrophobicContact CE1-CG 4.24Å; F514-W544 HydrophobicContact CE2-CB 3.86Å; F514-W544 HydrophobicContact CE2-CG 4.15Å; F514-W544 HydrophobicContact CG-CB 4.3Å; F514-W544 HydrophobicContact CZ-CB 3.37Å; F514-W544 HydrophobicContact CZ-CD2 4.35Å; F514-W544 AromaticContact CZ-CG 3.78Å; F514-W544 HydrophobicContact CZ-CG 3.78Å; F514-W544 PolarHBondContact N-O 3.12Å; F514-W544 PolarHBondContact O-N 2.88Å; F514-T546 HydrophobicContact CD1-CG2 3.87Å
515	V	96.6	Very high	84.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.3	171.7	175.4	0	0	0	0	108.3	L505 A506 L541 L542 L543 F555 F569 L576 M590	L505-V515 WeakPolarHBondContact CA-O 3.42Å; A506-V515 PolarHBondContact N-O 2.87Å; A506-V515 PolarHBondContact O-N 3.33Å; V515-L541 HydrophobicContact CG1-CD1 3.42Å; V515-L541 VanDerWaalsContact CG1-CD1 3.42Å; V515-L541 HydrophobicContact CG1-CD2 4.39Å; V515-L541 HydrophobicContact CG1-CG 3.73Å; V515-L542 WeakPolarHBondContact CA-O 3.39Å; V515-L543 HydrophobicContact CG2-CD1 3.68Å; V515-F555 HydrophobicContact CG1-CE2 4.39Å; V515-F555 HydrophobicContact CG2-CE2 4.16Å; V515-F555 HydrophobicContact CG2-CZ 4.42Å; V515-F569 HydrophobicContact CG2-CE2 4.27Å; V515-F569 HydrophobicContact CG2-CZ 3.83Å; V515-L576 HydrophobicContact CB-CD2 4.41Å; V515-L576 HydrophobicContact CG1-CD2 3.99Å; V515-L576 HydrophobicContact CG2-CD2 4.17Å; V515-M590 HydrophobicContact CG2-CE 4.36Å
516	C	96.1	Very high	81.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.3	170.6	63.6	0	0	0	0	111	V479 I495 I502 S504 L505 F514 L542 W544	V479-C516 HydrophobicContact CG2-CB 4.49Å; I495-C516 VanDerWaalsContact CD1-SG 3.54Å; I502-C516 HydrophobicContact CG2-CB 4.19Å; S504-C516 WeakPolarHBondContact O-CA 3.47Å; L505-C516 HydrophobicContact CD2-CB 3.58Å; F514-C516 HydrophobicContact CD2-CB 4.42Å; F514-C516 HydrophobicContact CE2-CB 4.2Å; C516-L542 PolarHBondContact N-O 3.3Å; C516-L542 PolarHBondContact O-N 2.91Å; C516-W544 VanDerWaalsContact SG-CD1 3.57Å
517	S	96.3	Very high	79.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124	168.6	170.4	0	0	0	0	109.3	I502 L503 S504 I564	I502-S517 CarbonylContact C-O 3.54Å; I502-S517 VanDerWaalsContact CA-O 3.26Å; I502-S517 WeakPolarHBondContact CA-O 3.28Å; L503-S517 PolarHBondContact N-O 3.2Å; S504-S517 PolarHBondContact O-N 3.07Å; S517-I564 VanDerWaalsContact CB-O 3.27Å; S517-I564 WeakPolarHBondContact CB-O 3.34Å; S517-I564 WeakPolarHBondContact OG-CB 3.39Å; S517-I564 PolarHBondContact OG-N 2.9Å; S517-I564 PolarHBondContact OG-O 2.69Å
518	A	95.3	Very high	76.3	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.5	-179.1	0	0	0	0	0	109.7	I495 H499 I502 G539 Q540 L542	I495-A518 HydrophobicContact CG2-CB 3.86Å; H499-A518 HydrophobicContact CB-CB 4.02Å; I502-A518 HydrophobicContact CD1-CB 3.76Å; A518-G539 CarbonylContact O-C 3.59Å; A518-G539 VanDerWaalsContact O-CA 3.25Å; A518-G539 WeakPolarHBondContact O-CA 3.32Å; A518-Q540 PolarHBondContact N-O 2.79Å; A518-Q540 PolarHBondContact O-N 2.78Å; A518-L542 HydrophobicContact CB-CD1 4.49Å
519	A	93.9	Very high	73.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144	-176.6	0	0	0	0	0	112.8	H499 R501 L503 S538 A563	H499-A519 CarbonylContact C-O 3.59Å; H499-A519 WeakPolarHBondContact CA-O 3.24Å; R501-A519 HydrophobicContact CB-CB 4.31Å; R501-A519 WeakPolarHBondContact CB-O 3.5Å; R501-A519 PolarHBondContact N-O 2.96Å; R501-A519 PolarHBondContact O-N 1.84Å; L503-A519 HydrophobicContact CD1-CB 3.52Å; L503-A519 HydrophobicContact CG-CB 3.91Å; A519-S538 WeakPolarHBondContact CA-O 3.43Å; A519-A563 HydrophobicContact CB-CB 3.75Å
520	A	91.8	Very high	71.2	Confident	14 Å²	14	65.6 Å²	65.6	12%	0.116	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-62.8	162.1	173.6	0	0	0	0	0	111.2	H499 R501 V537 S538	H499-A520 PolarHBondContact CD2-N 3.46Å; H499-A520 VanDerWaalsContact CD2-N 3.29Å; R501-A520 PolarHBondContact NE-O 3.04Å; R501-A520 PolarHBondContact NH2-O 3.18Å; A520-V537 HydrophobicContact CB-CG1 4.04Å; A520-V537 WeakPolarHBondContact O-CG1 3.42Å; A520-S538 VanDerWaalsContact CB-OG 3.29Å; A520-S538 WeakPolarHBondContact CB-OG 3.28Å; A520-S538 PolarHBondContact N-O 2.85Å
521	L	84.6	Confident	68.8	Low	117 Å²	117	69 Å²	69	61%	0.613	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-64.1	135.2	172.9	-69.5	169	0	0	0	110.3	P500 R501 R523	P500-L521 HydrophobicContact CG-CD1 4.39Å; P500-L521 HydrophobicContact CG-CD2 4.08Å; P500-L521 HydrophobicContact CG-CG 3.86Å; R501-L521 HydrophobicContact CG-CD2 4.31Å; L521-R523 PolarHBondContact O-N 3.2Å
522	S	68.3	Low	66.5	Low	71 Å²	71	78.6 Å²	78.6	50%	0.497	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-67.2	124.9	176.5	-176.2	0	0	0	0	110.1	S524	S522-S524 PolarHBondContact O-N 3.1Å
523	R	55.8	Low	64.3	Low	244 Å²	244	83.6 Å²	83.6	92%	0.921	48%	0.48	S	S	*	.			trans	-78.5	47.9	-176.9	-69	-176.1	175.6	164.5	-0.4	113.2	L521 G525	L521-R523 PolarHBondContact O-N 3.2Å; R523-G525 PolarHBondContact O-N 3.06Å
524	S	43.4	Very low	62.3	Low	118 Å²	118	88.9 Å²	88.9	83%	0.825	51%	0.514	S	S	*	.			trans	-76.7	69.9	170.8	178.1	0	0	0	0	110.4	S522	S522-S524 PolarHBondContact O-N 3.1Å
525	G	40.6	Very low	60.5	Low	76 Å²	76	95.6 Å²	95.6	78%	0.784	55%	0.548	S	S	*	.			trans	-164.6	34.2	-167.2	0	0	0	0	0	116.2	R523	R523-G525 PolarHBondContact O-N 3.06Å
526	S	29.3	Very low	59.1	Low	106 Å²	106	98.4 Å²	98.4	74%	0.741	57%	0.566	S	S	*	*			trans	-140.6	114.7	166.9	-173.5	0	0	0	0	109.9	D528	S526-D528 PolarHBondContact O-N 2.77Å
527	V	42.4	Very low	58.6	Low	144 Å²	144	100.1 Å²	100.1	87%	0.873	58%	0.577	S	S	*	*			trans	-89.1	89.3	165.2	178.3	0	0	0	0	106.3
528	D	34.7	Very low	58.3	Low	137 Å²	137	102.5 Å²	102.5	73%	0.733	59%	0.593	S	S	*	*			trans	-169.2	118.4	147.1	-104.6	-28	0	0	0	113.8	S526	S526-D528 PolarHBondContact O-N 2.77Å
529	S	40.6	Very low	58.2	Low	108 Å²	108	102.5 Å²	102.5	76%	0.755	59%	0.593	S	S	*	*	S	Bend	trans	65.3	139.7	157.3	76.8	0	0	0	0	120.9
530	V	36.5	Very low	58.2	Low	106 Å²	106	103.8 Å²	103.8	64%	0.642	60%	0.599	S	S	*	*			trans	66.8	115.1	169.7	-166.8	0	0	0	0	116.6	R532	V530-R532 HydrophobicContact CG1-CG 4.08Å; V530-R532 PolarHBondContact O-N 2.85Å
531	P	37.4	Very low	58.4	Low	133 Å²	133	103.1 Å²	103.1	86%	0.864	59%	0.594	S	S	*	*			trans	-73	91.4	167.2	31.6	-32.9	0	0	0	110
532	R	37.5	Very low	59	Low	213 Å²	213	97.6 Å²	97.6	80%	0.804	57%	0.565	S	S	*	*			trans	-80.1	155.8	163.5	-67.4	-170.5	174.9	-147.3	-2.1	109.7	V530	V530-R532 HydrophobicContact CG1-CG 4.08Å; V530-R532 PolarHBondContact O-N 2.85Å
533	L	41.7	Very low	60.3	Low	155 Å²	155	94.3 Å²	94.3	81%	0.812	54%	0.542	S	S	*	.			trans	-50.3	147.6	173.8	-66.6	166.9	0	0	0	110.6	I535	L533-I535 PolarHBondContact O-N 2.98Å
534	P	51.6	Low	62.1	Low	124 Å²	124	83.5 Å²	83.5	81%	0.805	50%	0.501	S	S	*	.			trans	-58.7	109.6	176.5	25.1	-33.6	0	0	0	109.3	P536	P534-P536 WeakPolarHBondContact O-CD 3.49Å
535	I	56.3	Low	64.4	Low	141 Å²	141	78.9 Å²	78.9	72%	0.723	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-72.2	117.8	177.7	-58.5	175.7	0	0	0	106.5	L533 V537	L533-I535 PolarHBondContact O-N 2.98Å; I535-V537 PolarHBondContact O-N 2.86Å
536	P	67.9	Low	66.6	Low	60 Å²	60	76.7 Å²	76.7	39%	0.39	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-60.6	133.7	-179.4	25.5	-33.5	0	0	0	109.3	P534 V562 D582	P534-P536 WeakPolarHBondContact O-CD 3.49Å; P536-V562 HydrophobicContact CB-CG2 3.96Å; P536-D582 HydrophobicContact CB-CB 4.49Å
537	V	83.9	Confident	69.3	Low	35 Å²	35	79.5 Å²	79.5	21%	0.212	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-70.3	139.1	-175	-172.8	0	0	0	0	109.3	A520 I535 A563	A520-V537 HydrophobicContact CB-CG1 4.04Å; A520-V537 WeakPolarHBondContact O-CG1 3.42Å; I535-V537 PolarHBondContact O-N 2.86Å; V537-A563 VanDerWaalsContact O-CB 3.28Å; V537-A563 WeakPolarHBondContact O-CB 3.44Å; V537-A563 PolarHBondContact O-N 3.06Å
538	S	91	Very high	71.5	Confident	50 Å²	50	76.3 Å²	76.3	35%	0.35	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-63.7	146.9	-177.2	68.5	0	0	0	0	112.6	H499 A519 A520 P561	H499-S538 PolarHBondContact CD2-O 2.93Å; H499-S538 PolarHBondContact NE2-OG 2.64Å; H499-S538 VanDerWaalsContact NE2-OG 3.1Å; A519-S538 WeakPolarHBondContact CA-O 3.43Å; A520-S538 VanDerWaalsContact CB-OG 3.29Å; A520-S538 WeakPolarHBondContact CB-OG 3.28Å; A520-S538 PolarHBondContact N-O 2.85Å; S538-P561 VanDerWaalsContact CA-O 3.24Å; S538-P561 WeakPolarHBondContact CA-O 3.43Å
539	G	92.8	Very high	74.1	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164.5	-177.2	0	0	0	0	0	113.9	A518 P561 V562	A518-G539 CarbonylContact O-C 3.59Å; A518-G539 VanDerWaalsContact O-CA 3.25Å; A518-G539 WeakPolarHBondContact O-CA 3.32Å; G539-P561 PolarHBondContact N-O 2.64Å; G539-P561 VanDerWaalsContact O-CB 3.23Å; G539-P561 WeakPolarHBondContact O-CB 3.5Å; G539-V562 VanDerWaalsContact CA-C 3.48Å; G539-V562 WeakPolarHBondContact CA-O 3.38Å
540	Q	94.7	Very high	76.4	Confident	28 Å²	28	72.9 Å²	72.9	13%	0.131	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.6	177.6	-61.5	179.1	-8.3	0	0	109	H499 A518 L542	H499-Q540 PolarHBondContact ND1-NE2 3.09Å; A518-Q540 PolarHBondContact N-O 2.79Å; A518-Q540 PolarHBondContact O-N 2.78Å; Q540-L542 HydrophobicContact CB-CD2 4.13Å; Q540-L542 HydrophobicContact CB-CG 4.38Å
541	L	96.2	Very high	79.1	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.8	170.9	-168.2	69.7	0	0	0	107.9	V515 Q554 F555 L557 I564 T567 L576 T578 F588	V515-L541 HydrophobicContact CG1-CD1 3.42Å; V515-L541 VanDerWaalsContact CG1-CD1 3.42Å; V515-L541 HydrophobicContact CG1-CD2 4.39Å; V515-L541 HydrophobicContact CG1-CG 3.73Å; L541-Q554 WeakPolarHBondContact O-CA 3.44Å; L541-F555 HydrophobicContact CB-CB 4.26Å; L541-F555 HydrophobicContact CB-CD2 4.04Å; L541-F555 HydrophobicContact CD2-CB 4.17Å; L541-F555 HydrophobicContact CD2-CD2 3.69Å; L541-F555 HydrophobicContact CD2-CE2 4.25Å; L541-F555 HydrophobicContact CD2-CG 3.99Å; L541-F555 HydrophobicContact CG-CD2 3.69Å; L541-F555 HydrophobicContact CG-CE2 4.25Å; L541-F555 HydrophobicContact CG-CG 4.4Å; L541-F555 WeakPolarHBondContact O-CD2 3.36Å; L541-F555 PolarHBondContact O-N 3.02Å; L541-L557 HydrophobicContact CB-CD1 4.35Å; L541-L557 HydrophobicContact CB-CD2 4.15Å; L541-I564 HydrophobicContact CB-CD1 4.05Å; L541-I564 HydrophobicContact CD1-CD1 3.93Å; L541-I564 HydrophobicContact CD1-CG2 4.45Å; L541-I564 HydrophobicContact CD2-CD1 4.02Å; L541-I564 HydrophobicContact CG-CD1 4.23Å; L541-T567 HydrophobicContact CD1-CG2 4.07Å; L541-L576 HydrophobicContact CD2-CD2 4.01Å; L541-T578 HydrophobicContact CD2-CG2 3.95Å; L541-F588 HydrophobicContact CD2-CD2 4.21Å; L541-F588 HydrophobicContact CD2-CE2 3.81Å; L541-F588 HydrophobicContact CD2-CZ 4.13Å
542	L	95.6	Very high	81.7	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.9	-170.8	-51.1	176.6	0	0	0	110.5	I495 V515 C516 A518 Q540 Q554	I495-L542 HydrophobicContact CG1-CD1 4.24Å; I495-L542 HydrophobicContact CG2-CD1 3.64Å; V515-L542 WeakPolarHBondContact CA-O 3.39Å; C516-L542 PolarHBondContact N-O 3.3Å; C516-L542 PolarHBondContact O-N 2.91Å; A518-L542 HydrophobicContact CB-CD1 4.49Å; Q540-L542 HydrophobicContact CB-CD2 4.13Å; Q540-L542 HydrophobicContact CB-CG 4.38Å; L542-Q554 HydrophobicContact CD2-CB 3.72Å; L542-Q554 HydrophobicContact CD2-CG 3.73Å
543	L	95.6	Very high	84.3	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.7	171.6	-177.9	66.5	0	0	0	109.7	V515 Q551 Q552 L553 F555 M590 Y593	V515-L543 HydrophobicContact CG2-CD1 3.68Å; L543-Q551 WeakPolarHBondContact O-CA 3.38Å; L543-Q552 HydrophobicContact CD2-CB 4.42Å; L543-Q552 HydrophobicContact CG-CB 4.45Å; L543-Q552 PolarHBondContact O-N 2.78Å; L543-L553 HydrophobicContact CB-CB 4.2Å; L543-L553 HydrophobicContact CD2-CB 4.4Å; L543-L553 PolarHBondContact N-O 3.49Å; L543-L553 PolarHBondContact O-N 3.48Å; L543-F555 HydrophobicContact CB-CE2 3.96Å; L543-F555 HydrophobicContact CB-CZ 4.32Å; L543-M590 HydrophobicContact CD1-CE 4.04Å; L543-M590 HydrophobicContact CD2-CE 4.49Å; L543-Y593 HydrophobicContact CD2-CD1 3.87Å; L543-Y593 HydrophobicContact CD2-CE1 3.4Å
544	W	94.8	Very high	86.8	Confident	17 Å²	17	60.3 Å²	60.3	6%	0.064	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.4	-178.6	-76.8	77.1	0	0	0	112	M493 N494 I495 S513 F514 C516 K550 Q551	M493-W544 HydrophobicContact CB-CE3 4.1Å; M493-W544 HydrophobicContact CB-CH2 4.19Å; M493-W544 HydrophobicContact CB-CZ3 3.82Å; M493-W544 HydrophobicContact CG-CE3 4.09Å; M493-W544 HydrophobicContact CG-CZ3 4.11Å; N494-W544 WeakPolarHBondContact O-CH2 3.41Å; I495-W544 HydrophobicContact CG1-CZ2 3.74Å; S513-W544 CarbonylContact C-O 3.18Å; S513-W544 WeakPolarHBondContact CA-O 3.49Å; S513-W544 VanDerWaalsContact CB-O 3.25Å; S513-W544 WeakPolarHBondContact CB-O 3.35Å; F514-W544 HydrophobicContact CD1-CB 3.83Å; F514-W544 HydrophobicContact CD2-CB 4.31Å; F514-W544 HydrophobicContact CE1-CB 3.35Å; F514-W544 HydrophobicContact CE1-CG 4.24Å; F514-W544 HydrophobicContact CE2-CB 3.86Å; F514-W544 HydrophobicContact CE2-CG 4.15Å; F514-W544 HydrophobicContact CG-CB 4.3Å; F514-W544 HydrophobicContact CZ-CB 3.37Å; F514-W544 HydrophobicContact CZ-CD2 4.35Å; F514-W544 AromaticContact CZ-CG 3.78Å; F514-W544 HydrophobicContact CZ-CG 3.78Å; F514-W544 PolarHBondContact N-O 3.12Å; F514-W544 PolarHBondContact O-N 2.88Å; C516-W544 VanDerWaalsContact SG-CD1 3.57Å; W544-K550 WeakPolarHBondContact CA-O 3.45Å; W544-Q551 HydrophobicContact CD2-CB 4.13Å; W544-Q551 VanDerWaalsContact CE3-N 3.25Å; W544-Q551 HydrophobicContact CH2-CB 4.26Å; W544-Q551 HydrophobicContact CZ2-CB 3.86Å
545	D	91.4	Very high	88.8	Confident	22 Å²	22	54.7 Å²	54.7	12%	0.118	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	124.5	173.8	-170.2	-39.8	0	0	0	110.7	K547 T548 V549 K550 Q552	D545-K547 VanDerWaalsContact C-N 3.29Å; D545-K547 PolarHBondContact O-N 2.94Å; D545-K547 WeakPolarHBondContact OD1-CA 3.32Å; D545-K547 WeakPolarHBondContact OD1-CB 3.34Å; D545-K547 PolarHBondContact OD1-N 2.97Å; D545-T548 VanDerWaalsContact CB-OG1 3.23Å; D545-T548 WeakPolarHBondContact CB-OG1 3.21Å; D545-T548 PolarHBondContact OD1-N 3.41Å; D545-T548 VanDerWaalsContact OD2-CG2 3.31Å; D545-T548 WeakPolarHBondContact OD2-CG2 3.31Å; D545-T548 PolarHBondContact OD2-OG1 2.83Å; D545-V549 WeakPolarHBondContact O-CA 3.45Å; D545-V549 PolarHBondContact O-N 2.95Å; D545-V549 VanDerWaalsContact O-N 3.11Å; D545-K550 PolarHBondContact N-O 2.99Å; D545-Q552 HydrophobicContact CB-CG 4Å; D545-Q552 PolarHBondContact OD2-NE2 2.8Å; D545-Q552 VanDerWaalsContact OD2-NE2 3.16Å
546	T	87.3	Confident	90.5	Very high	29 Å²	29	51.2 Å²	51.2	18%	0.178	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-24.5	179.4	57.7	0	0	0	0	113.1	G511 S512 F514	G511-T546 PolarHBondContact O-OG1 3.14Å; S512-T546 VanDerWaalsContact C-OG1 3.23Å; S512-T546 PolarHBondContact O-N 2.86Å; S512-T546 PolarHBondContact O-OG1 3.41Å; S512-T546 VanDerWaalsContact O-OG1 3.08Å; F514-T546 HydrophobicContact CD1-CG2 3.87Å
547	K	86.1	Confident	91.6	Very high	165 Å²	165	49 Å²	49	72%	0.717	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-43.8	-174.7	-61.4	176.6	-178.6	174	0	112.2	D545	D545-K547 VanDerWaalsContact C-N 3.29Å; D545-K547 PolarHBondContact O-N 2.94Å; D545-K547 WeakPolarHBondContact OD1-CA 3.32Å; D545-K547 WeakPolarHBondContact OD1-CB 3.34Å; D545-K547 PolarHBondContact OD1-N 2.97Å
548	T	87.7	Confident	91.6	Very high	77 Å²	77	53.9 Å²	53.9	47%	0.472	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-11	-179.3	72.4	0	0	0	0	113.4	D545 K550	D545-T548 VanDerWaalsContact CB-OG1 3.23Å; D545-T548 WeakPolarHBondContact CB-OG1 3.21Å; D545-T548 PolarHBondContact OD1-N 3.41Å; D545-T548 VanDerWaalsContact OD2-CG2 3.31Å; D545-T548 WeakPolarHBondContact OD2-CG2 3.31Å; D545-T548 PolarHBondContact OD2-OG1 2.83Å; T548-K550 VanDerWaalsContact C-N 3.32Å; T548-K550 PolarHBondContact O-N 2.61Å
549	V	88.7	Confident	91.1	Very high	35 Å²	35	57.4 Å²	57.4	21%	0.212	29%	0.293	C	S	.	.			trans	58.7	44.6	175.3	-163.4	0	0	0	0	111.2	Y491 M493 D545	Y491-V549 HydrophobicContact CD1-CG2 4Å; Y491-V549 HydrophobicContact CD2-CG2 3.97Å; Y491-V549 HydrophobicContact CE1-CG2 4.26Å; Y491-V549 HydrophobicContact CE2-CG2 4.25Å; Y491-V549 HydrophobicContact CG-CG1 4.34Å; Y491-V549 HydrophobicContact CG-CG2 3.86Å; M493-V549 HydrophobicContact CE-CG1 3.91Å; M493-V549 HydrophobicContact CG-CG1 3.51Å; D545-V549 WeakPolarHBondContact O-CA 3.45Å; D545-V549 PolarHBondContact O-N 2.95Å; D545-V549 VanDerWaalsContact O-N 3.11Å
550	K	90.5	Very high	90.8	Very high	139 Å²	139	64.4 Å²	64.4	60%	0.604	33%	0.326	S	S	*	.	S	Bend	trans	-133.8	145.4	-178.4	-71.2	178.9	-177.3	-175.5	0	111.2	W544 D545 T548 Q552	W544-K550 WeakPolarHBondContact CA-O 3.45Å; D545-K550 PolarHBondContact N-O 2.99Å; T548-K550 VanDerWaalsContact C-N 3.32Å; T548-K550 PolarHBondContact O-N 2.61Å; K550-Q552 PolarHBondContact O-N 2.86Å
551	Q	92.5	Very high	90.6	Very high	88 Å²	88	67.1 Å²	67.1	41%	0.411	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	124.5	162.6	-176.6	175.2	-33	0	0	108.6	L543 W544	L543-Q551 WeakPolarHBondContact O-CA 3.38Å; W544-Q551 HydrophobicContact CD2-CB 4.13Å; W544-Q551 VanDerWaalsContact CE3-N 3.25Å; W544-Q551 HydrophobicContact CH2-CB 4.26Å; W544-Q551 HydrophobicContact CZ2-CB 3.86Å
552	Q	91.4	Very high	90.5	Very high	104 Å²	104	67.3 Å²	67.3	49%	0.486	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-39.6	174.2	-68.1	-176.9	-23.3	0	0	110.9	L543 D545 K550	L543-Q552 HydrophobicContact CD2-CB 4.42Å; L543-Q552 HydrophobicContact CG-CB 4.45Å; L543-Q552 PolarHBondContact O-N 2.78Å; D545-Q552 HydrophobicContact CB-CG 4Å; D545-Q552 PolarHBondContact OD2-NE2 2.8Å; D545-Q552 VanDerWaalsContact OD2-NE2 3.16Å; K550-Q552 PolarHBondContact O-N 2.86Å
553	L	93.6	Very high	90.4	Very high	48 Å²	48	67.4 Å²	67.4	25%	0.251	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	155.7	-172.1	-178.8	137.4	0	0	0	111.5	L543 F555 Y593	L543-L553 HydrophobicContact CB-CB 4.2Å; L543-L553 HydrophobicContact CD2-CB 4.4Å; L543-L553 PolarHBondContact N-O 3.49Å; L543-L553 PolarHBondContact O-N 3.48Å; L553-F555 HydrophobicContact CD2-CD1 3.86Å; L553-F555 HydrophobicContact CD2-CD2 3.97Å; L553-F555 HydrophobicContact CD2-CE1 4Å; L553-F555 HydrophobicContact CD2-CE2 4.11Å; L553-F555 HydrophobicContact CD2-CG 3.85Å; L553-F555 HydrophobicContact CD2-CZ 4.12Å; L553-Y593 VanDerWaalsContact CD1-CB 3.43Å; L553-Y593 HydrophobicContact CD1-CD1 4.22Å; L553-Y593 HydrophobicContact CD1-CD2 3.87Å; L553-Y593 HydrophobicContact CD1-CG 3.57Å; L553-Y593 HydrophobicContact CD2-CD1 4.28Å; L553-Y593 HydrophobicContact CD2-CG 4.2Å; L553-Y593 HydrophobicContact CG-CG 4.47Å
554	Q	93.6	Very high	90.4	Very high	103 Å²	103	67.4 Å²	67.4	48%	0.481	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.7	165.8	170.8	174.2	-11	0	0	107.6	L541 L542	L541-Q554 WeakPolarHBondContact O-CA 3.44Å; L542-Q554 HydrophobicContact CD2-CB 3.72Å; L542-Q554 HydrophobicContact CD2-CG 3.73Å
555	F	94.4	Very high	90.4	Very high	5 Å²	5	68 Å²	68	2%	0.022	35%	0.352	C	S	.	.			trans	-78.8	147	-179	-61.2	-94.7	0	0	0	111	V515 L541 L543 L553 L557 F588 M590 Y593	V515-F555 HydrophobicContact CG1-CE2 4.39Å; V515-F555 HydrophobicContact CG2-CE2 4.16Å; V515-F555 HydrophobicContact CG2-CZ 4.42Å; L541-F555 HydrophobicContact CB-CB 4.26Å; L541-F555 HydrophobicContact CB-CD2 4.04Å; L541-F555 HydrophobicContact CD2-CB 4.17Å; L541-F555 HydrophobicContact CD2-CD2 3.69Å; L541-F555 HydrophobicContact CD2-CE2 4.25Å; L541-F555 HydrophobicContact CD2-CG 3.99Å; L541-F555 HydrophobicContact CG-CD2 3.69Å; L541-F555 HydrophobicContact CG-CE2 4.25Å; L541-F555 HydrophobicContact CG-CG 4.4Å; L541-F555 WeakPolarHBondContact O-CD2 3.36Å; L541-F555 PolarHBondContact O-N 3.02Å; L543-F555 HydrophobicContact CB-CE2 3.96Å; L543-F555 HydrophobicContact CB-CZ 4.32Å; L553-F555 HydrophobicContact CD2-CD1 3.86Å; L553-F555 HydrophobicContact CD2-CD2 3.97Å; L553-F555 HydrophobicContact CD2-CE1 4Å; L553-F555 HydrophobicContact CD2-CE2 4.11Å; L553-F555 HydrophobicContact CD2-CG 3.85Å; L553-F555 HydrophobicContact CD2-CZ 4.12Å; F555-L557 PolarHBondContact O-N 3.41Å; F555-F588 HydrophobicContact CB-CD1 4.28Å; F555-F588 HydrophobicContact CB-CE1 3.86Å; F555-F588 HydrophobicContact CB-CZ 4.4Å; F555-F588 AromaticContact CD1-CD1 3.64Å; F555-F588 HydrophobicContact CD1-CD1 3.64Å; F555-F588 HydrophobicContact CD1-CE1 4.11Å; F555-F588 HydrophobicContact CD1-CG 4.17Å; F555-F588 HydrophobicContact CE1-CB 4.39Å; F555-F588 HydrophobicContact CE1-CD1 4.33Å; F555-F588 HydrophobicContact CE1-CG 4.49Å; F555-F588 HydrophobicContact CG-CD1 4.25Å; F555-F588 HydrophobicContact CG-CE1 4.3Å; F555-M590 HydrophobicContact CE1-CE 4.48Å; F555-M590 HydrophobicContact CE1-SD 3.99Å; F555-M590 HydrophobicContact CZ-CE 3.86Å; F555-M590 HydrophobicContact CZ-SD 3.78Å; F555-Y593 WeakPolarHBondContact CD1-O 3.38Å; F555-Y593 HydrophobicContact CE1-CD1 4.09Å; F555-Y593 HydrophobicContact CZ-CD1 4.3Å
556	S	91.6	Very high	90.7	Very high	69 Å²	69	67.4 Å²	67.4	48%	0.483	35%	0.35	S	S	.	.			trans	-69.7	126.5	169.2	-166.3	0	0	0	0	109.8	E558	S556-E558 PolarHBondContact OG-OE1 2.74Å; S556-E558 VanDerWaalsContact OG-OE1 3.08Å
557	L	90.8	Very high	91.1	Very high	14 Å²	14	66.8 Å²	66.8	7%	0.073	35%	0.346	C	S	.	.			trans	-111.9	89	175.6	-62.9	-172.1	0	0	0	108.5	L541 F555 E560 V562 I564 F588	L541-L557 HydrophobicContact CB-CD1 4.35Å; L541-L557 HydrophobicContact CB-CD2 4.15Å; F555-L557 PolarHBondContact O-N 3.41Å; L557-E560 CarbonylContact O-C 3.57Å; L557-E560 VanDerWaalsContact O-O 3.1Å; L557-V562 WeakPolarHBondContact CD1-O 3.28Å; L557-I564 HydrophobicContact CD1-CD1 3.96Å; L557-I564 HydrophobicContact CD2-CD1 3.74Å; L557-F588 HydrophobicContact CD2-CZ 3.79Å
558	E	83.4	Confident	91.6	Very high	137 Å²	137	59.8 Å²	59.8	64%	0.64	32%	0.319	S	S	*	.	S	Bend	trans	-90.9	150.6	-179.4	-70.9	174.1	-150.7	0	0	111.5	S556 R586	S556-E558 PolarHBondContact OG-OE1 2.74Å; S556-E558 VanDerWaalsContact OG-OE1 3.08Å; E558-R586 PolarHBondContact O-NE 3.39Å; E558-R586 VanDerWaalsContact O-NE 3.13Å; E558-R586 PolarHBondContact O-NH2 2.75Å
559	P	80.3	Confident	92	Very high	123 Å²	123	57.6 Å²	57.6	80%	0.799	30%	0.303	S	S	*	.	S	Bend	cis	-80.3	-20.3	-2	33.3	-36	0	0	0	114.5
560	E	87.1	Confident	92.3	Very high	148 Å²	148	56.1 Å²	56.1	69%	0.692	29%	0.294	S	S	*	.	S	Bend	trans	-134.5	150.3	176	-70.4	-168.7	168.4	0	0	111.2	L557 V562	L557-E560 CarbonylContact O-C 3.57Å; L557-E560 VanDerWaalsContact O-O 3.1Å; E560-V562 PolarHBondContact O-N 3.47Å
561	P	90.3	Very high	92.2	Very high	84 Å²	84	57.2 Å²	57.2	55%	0.545	30%	0.301	S	S	.	.			trans	-67.1	117.9	-177.9	-16	29.8	0	0	0	111.7	S538 G539	S538-P561 VanDerWaalsContact CA-O 3.24Å; S538-P561 WeakPolarHBondContact CA-O 3.43Å; G539-P561 PolarHBondContact N-O 2.64Å; G539-P561 VanDerWaalsContact O-CB 3.23Å; G539-P561 WeakPolarHBondContact O-CB 3.5Å
562	V	93.1	Very high	92.1	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.03	30%	0.302	C	S	.	.			trans	-125.3	146.6	-171.5	58.6	0	0	0	0	112.5	P536 G539 L557 E560 I564 A580 A581 D582	P536-V562 HydrophobicContact CB-CG2 3.96Å; G539-V562 VanDerWaalsContact CA-C 3.48Å; G539-V562 WeakPolarHBondContact CA-O 3.38Å; L557-V562 WeakPolarHBondContact CD1-O 3.28Å; E560-V562 PolarHBondContact O-N 3.47Å; V562-I564 PolarHBondContact O-N 2.57Å; V562-A580 HydrophobicContact CG1-CB 3.93Å; V562-A580 HydrophobicContact CG2-CB 4.22Å; V562-A581 HydrophobicContact CG2-CB 4.4Å; V562-D582 HydrophobicContact CG2-CB 4.09Å
563	A	93.8	Very high	92.1	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.025	28%	0.283	C	S	.	.			trans	-59	120.3	171.7	0	0	0	0	0	111.7	L503 A519 V537 A580 A581	L503-A563 HydrophobicContact CD1-CB 3.87Å; A519-A563 HydrophobicContact CB-CB 3.75Å; V537-A563 VanDerWaalsContact O-CB 3.28Å; V537-A563 WeakPolarHBondContact O-CB 3.44Å; V537-A563 PolarHBondContact O-N 3.06Å; A563-A580 WeakPolarHBondContact O-CA 3.43Å; A563-A581 HydrophobicContact CB-CB 4.31Å; A563-A581 PolarHBondContact O-N 2.92Å
564	I	96.2	Very high	92.1	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.2	173	-76.2	163.3	0	0	0	108.9	L503 S517 L541 L557 V562 C566 T567 T578 A580	L503-I564 WeakPolarHBondContact CB-O 3.27Å; S517-I564 VanDerWaalsContact CB-O 3.27Å; S517-I564 WeakPolarHBondContact CB-O 3.34Å; S517-I564 WeakPolarHBondContact OG-CB 3.39Å; S517-I564 PolarHBondContact OG-N 2.9Å; S517-I564 PolarHBondContact OG-O 2.69Å; L541-I564 HydrophobicContact CB-CD1 4.05Å; L541-I564 HydrophobicContact CD1-CD1 3.93Å; L541-I564 HydrophobicContact CD1-CG2 4.45Å; L541-I564 HydrophobicContact CD2-CD1 4.02Å; L541-I564 HydrophobicContact CG-CD1 4.23Å; L557-I564 HydrophobicContact CD1-CD1 3.96Å; L557-I564 HydrophobicContact CD2-CD1 3.74Å; V562-I564 PolarHBondContact O-N 2.57Å; I564-C566 WeakPolarHBondContact CG2-O 3.41Å; I564-T567 HydrophobicContact CG2-CG2 3.53Å; I564-T578 HydrophobicContact CD1-CG2 4.48Å; I564-T578 HydrophobicContact CG2-CG2 4.49Å; I564-A580 HydrophobicContact CG1-CB 3.96Å
565	N	95.3	Very high	92.2	Very high	28 Å²	28	49.8 Å²	49.8	15%	0.15	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-40.3	-178.3	-80.2	-16.9	0	0	0	111.9	S504 G579 E605 V606	S504-N565 WeakPolarHBondContact CB-O 3.49Å; S504-N565 PolarHBondContact OG-O 3.21Å; N565-G579 PolarHBondContact N-O 3.01Å; N565-E605 PolarHBondContact ND2-OE2 3.04Å; N565-V606 WeakPolarHBondContact CB-O 3.42Å; N565-V606 PolarHBondContact ND2-O 2.73Å
566	C	96.3	Very high	92.3	Very high	10 Å²	10	49.6 Å²	49.6	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144	-172.7	49.2	0	0	0	0	111.8	S504 I564 T578 G579 V609	S504-C566 WeakPolarHBondContact OG-CA 3.33Å; I564-C566 WeakPolarHBondContact CG2-O 3.41Å; C566-T578 CarbonylContact O-C 3.5Å; C566-T578 WeakPolarHBondContact O-CA 3.1Å; C566-G579 PolarHBondContact N-O 3.17Å; C566-G579 PolarHBondContact O-N 3.14Å; C566-V609 HydrophobicContact CB-CG2 4.19Å
567	T	97.4	Very high	92.6	Very high	17 Å²	17	46.3 Å²	46.3	10%	0.104	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	133.8	-179.2	55.3	0	0	0	0	110.3	S504 L541 I564 V577 T578	S504-T567 PolarHBondContact OG-N 2.98Å; L541-T567 HydrophobicContact CD1-CG2 4.07Å; I564-T567 HydrophobicContact CG2-CG2 3.53Å; T567-V577 WeakPolarHBondContact CA-O 3.43Å; T567-T578 HydrophobicContact CG2-CG2 3.87Å
568	A	96.1	Very high	92.9	Very high	18 Å²	18	45.6 Å²	45.6	15%	0.149	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.8	174.4	0	0	0	0	0	111.3	L576 V577 V609	A568-L576 WeakPolarHBondContact O-CA 3.08Å; A568-V577 HydrophobicContact CB-CG1 3.99Å; A568-V577 PolarHBondContact N-O 2.84Å; A568-V577 PolarHBondContact O-N 3.49Å; A568-V609 WeakPolarHBondContact CB-O 3.45Å
569	F	95.9	Very high	93.5	Very high	30 Å²	30	39.1 Å²	39.1	13%	0.132	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	153.1	168.6	-82.1	-76.2	0	0	0	110.6	A506 C507 P509 V515 L575 L576 M590	A506-F569 HydrophobicContact CB-CD2 3.85Å; A506-F569 HydrophobicContact CB-CE2 3.99Å; C507-F569 VanDerWaalsContact O-CD2 3.28Å; C507-F569 WeakPolarHBondContact O-CD2 3.17Å; P509-F569 HydrophobicContact CG-CB 4.37Å; V515-F569 HydrophobicContact CG2-CE2 4.27Å; V515-F569 HydrophobicContact CG2-CZ 3.83Å; F569-L575 WeakPolarHBondContact CA-O 3.49Å; F569-L576 HydrophobicContact CD1-CB 4.24Å; F569-L576 HydrophobicContact CD1-CD1 3.95Å; F569-L576 HydrophobicContact CD2-CD1 3.9Å; F569-L576 HydrophobicContact CE1-CB 4.18Å; F569-L576 HydrophobicContact CE1-CD1 3.92Å; F569-L576 HydrophobicContact CE2-CD1 3.86Å; F569-L576 HydrophobicContact CG-CD1 3.94Å; F569-L576 HydrophobicContact CZ-CD1 3.88Å; F569-M590 HydrophobicContact CE1-CE 3.82Å; F569-M590 HydrophobicContact CE1-CG 3.94Å; F569-M590 HydrophobicContact CE1-SD 3.96Å; F569-M590 HydrophobicContact CZ-CE 4.04Å
570	N	94	Very high	94.3	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.027	18%	0.177	C	C	.	.			trans	-77.3	169.5	161.9	81	-38.9	0	0	0	110.8	P509 N572 G573 N574 L575 F611 E615	P509-N570 WeakPolarHBondContact CG-O 3.43Å; N570-N572 VanDerWaalsContact C-N 3.32Å; N570-N572 PolarHBondContact ND2-ND2 3.27Å; N570-N572 VanDerWaalsContact ND2-ND2 3.18Å; N570-N572 PolarHBondContact ND2-OD1 3.09Å; N570-N572 PolarHBondContact O-N 3.38Å; N570-N572 PolarHBondContact OD1-OD1 2.73Å; N570-G573 PolarHBondContact O-N 3.39Å; N570-G573 WeakPolarHBondContact OD1-CA 3.42Å; N570-G573 PolarHBondContact OD1-N 3.23Å; N570-N574 PolarHBondContact OD1-N 3.49Å; N570-N574 VanDerWaalsContact OD1-N 3.14Å; N570-L575 HydrophobicContact CB-CB 4.17Å; N570-L575 PolarHBondContact N-O 2.56Å; N570-L575 PolarHBondContact OD1-N 3.31Å; N570-L575 PolarHBondContact OD1-O 3.11Å; N570-F611 HydrophobicContact CB-CD1 4.38Å; N570-F611 HydrophobicContact CB-CD2 3.84Å; N570-F611 HydrophobicContact CB-CE1 4.33Å; N570-F611 HydrophobicContact CB-CE2 3.78Å; N570-F611 HydrophobicContact CB-CG 4.14Å; N570-F611 HydrophobicContact CB-CZ 4.04Å; N570-E615 HydrophobicContact CB-CG 4.47Å; N570-E615 VanDerWaalsContact CB-OE1 3.27Å; N570-E615 WeakPolarHBondContact CB-OE1 3.34Å; N570-E615 VanDerWaalsContact ND2-CD 3.35Å; N570-E615 PolarHBondContact ND2-OE1 3.38Å; N570-E615 PolarHBondContact ND2-OE2 2.82Å
571	H	89.9	Confident	94.6	Very high	162 Å²	162	27 Å²	27	75%	0.75	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-41.1	-173.7	165.3	80.7	0	0	0	113.2	P509 E615	P509-H571 VanDerWaalsContact CB-O 3.24Å; P509-H571 WeakPolarHBondContact CB-O 3.44Å; P509-H571 VanDerWaalsContact CG-O 3.29Å; P509-H571 WeakPolarHBondContact CG-O 3.38Å; H571-E615 VanDerWaalsContact CB-OE1 3.27Å; H571-E615 WeakPolarHBondContact CB-OE1 3.23Å; H571-E615 PolarHBondContact N-OE1 2.84Å
572	N	89.7	Confident	94.7	Very high	80 Å²	80	25.1 Å²	25.1	43%	0.428	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.7	-179.9	62	54.6	0	0	0	113.8	N570 N574 E615	N570-N572 VanDerWaalsContact C-N 3.32Å; N570-N572 PolarHBondContact ND2-ND2 3.27Å; N570-N572 VanDerWaalsContact ND2-ND2 3.18Å; N570-N572 PolarHBondContact ND2-OD1 3.09Å; N570-N572 PolarHBondContact O-N 3.38Å; N570-N572 PolarHBondContact OD1-OD1 2.73Å; N572-N574 VanDerWaalsContact C-N 3.27Å; N572-N574 VanDerWaalsContact CG-ND2 3.35Å; N572-N574 PolarHBondContact O-N 2.79Å; N572-N574 VanDerWaalsContact OD1-CB 3.24Å; N572-N574 WeakPolarHBondContact OD1-CB 3.28Å; N572-N574 PolarHBondContact OD1-N 3.18Å; N572-N574 PolarHBondContact OD1-ND2 3.28Å; N572-E615 PolarHBondContact ND2-OE2 3.02Å
573	G	92.1	Very high	94.7	Very high	9 Å²	9	24.9 Å²	24.9	9%	0.093	14%	0.135	C	C	.	.	S	Bend	trans	74.3	6.3	178.2	0	0	0	0	0	115.7	N570 L575	N570-G573 PolarHBondContact O-N 3.39Å; N570-G573 WeakPolarHBondContact OD1-CA 3.42Å; N570-G573 PolarHBondContact OD1-N 3.23Å; G573-L575 VanDerWaalsContact C-N 3.35Å
574	N	93.6	Very high	94.8	Very high	59 Å²	59	25.9 Å²	25.9	32%	0.316	14%	0.141	S	C	.	.	S	Bend	trans	-79.8	-16.7	175.5	-63	-67	0	0	0	112.9	N570 N572 M590 Q591	N570-N574 PolarHBondContact OD1-N 3.49Å; N570-N574 VanDerWaalsContact OD1-N 3.14Å; N572-N574 VanDerWaalsContact C-N 3.27Å; N572-N574 VanDerWaalsContact CG-ND2 3.35Å; N572-N574 PolarHBondContact O-N 2.79Å; N572-N574 VanDerWaalsContact OD1-CB 3.24Å; N572-N574 WeakPolarHBondContact OD1-CB 3.28Å; N572-N574 PolarHBondContact OD1-N 3.18Å; N572-N574 PolarHBondContact OD1-ND2 3.28Å; N574-M590 WeakPolarHBondContact O-CB 3.4Å; N574-M590 PolarHBondContact O-N 2.84Å; N574-Q591 PolarHBondContact OD1-NE2 3.24Å
575	L	94.9	Very high	94.8	Very high	39 Å²	39	25.9 Å²	25.9	20%	0.204	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.5	177.2	-62.8	176.5	0	0	0	110.9	F569 N570 G573 L587 F588 F611 I632	F569-L575 WeakPolarHBondContact CA-O 3.49Å; N570-L575 HydrophobicContact CB-CB 4.17Å; N570-L575 PolarHBondContact N-O 2.56Å; N570-L575 PolarHBondContact OD1-N 3.31Å; N570-L575 PolarHBondContact OD1-O 3.11Å; G573-L575 VanDerWaalsContact C-N 3.35Å; L575-L587 HydrophobicContact CB-CD1 4.21Å; L575-F588 WeakPolarHBondContact CA-O 3.23Å; L575-F611 HydrophobicContact CB-CE1 4.47Å; L575-F611 HydrophobicContact CB-CZ 3.89Å; L575-I632 HydrophobicContact CD1-CD1 4.31Å
576	L	96.9	Very high	94.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.1	171.3	179.7	86.6	0	0	0	108.9	A506 V515 L541 A568 F569 T578 F588 M590	A506-L576 HydrophobicContact CB-CD1 4.47Å; V515-L576 HydrophobicContact CB-CD2 4.41Å; V515-L576 HydrophobicContact CG1-CD2 3.99Å; V515-L576 HydrophobicContact CG2-CD2 4.17Å; L541-L576 HydrophobicContact CD2-CD2 4.01Å; A568-L576 WeakPolarHBondContact O-CA 3.08Å; F569-L576 HydrophobicContact CD1-CB 4.24Å; F569-L576 HydrophobicContact CD1-CD1 3.95Å; F569-L576 HydrophobicContact CD2-CD1 3.9Å; F569-L576 HydrophobicContact CE1-CB 4.18Å; F569-L576 HydrophobicContact CE1-CD1 3.92Å; F569-L576 HydrophobicContact CE2-CD1 3.86Å; F569-L576 HydrophobicContact CG-CD1 3.94Å; F569-L576 HydrophobicContact CZ-CD1 3.88Å; L576-T578 HydrophobicContact CD2-CG2 3.72Å; L576-T578 HydrophobicContact CG-CG2 4Å; L576-F588 HydrophobicContact CB-CB 4.41Å; L576-F588 HydrophobicContact CD2-CD2 4.42Å; L576-F588 PolarHBondContact N-O 3.15Å; L576-F588 VanDerWaalsContact N-O 3.09Å; L576-F588 PolarHBondContact O-N 2.96Å; L576-M590 HydrophobicContact CB-CG 4.11Å; L576-M590 HydrophobicContact CB-SD 3.66Å; L576-M590 HydrophobicContact CD2-SD 4.36Å
577	V	97.3	Very high	94.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140	169.7	69.2	0	0	0	0	110.4	T567 A568 I585 L587 V609 F611 V618	T567-V577 WeakPolarHBondContact CA-O 3.43Å; A568-V577 HydrophobicContact CB-CG1 3.99Å; A568-V577 PolarHBondContact N-O 2.84Å; A568-V577 PolarHBondContact O-N 3.49Å; V577-I585 HydrophobicContact CG2-CG2 3.53Å; V577-L587 HydrophobicContact CB-CD1 4.13Å; V577-V609 HydrophobicContact CG1-CB 4.2Å; V577-V609 HydrophobicContact CG1-CG2 3.97Å; V577-V609 HydrophobicContact CG2-CB 4.48Å; V577-F611 HydrophobicContact CB-CE2 3.91Å; V577-F611 HydrophobicContact CB-CZ 3.82Å; V577-F611 HydrophobicContact CG1-CD2 3.96Å; V577-F611 HydrophobicContact CG1-CE2 3.53Å; V577-F611 HydrophobicContact CG1-CZ 3.93Å; V577-V618 HydrophobicContact CB-CG2 4.24Å; V577-V618 HydrophobicContact CG1-CG2 4.33Å; V577-V618 HydrophobicContact CG2-CG1 3.91Å; V577-V618 HydrophobicContact CG2-CG2 3.97Å
578	T	97.6	Very high	94.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.4	-178.2	69.3	0	0	0	0	110.8	L541 I564 C566 T567 L576 I585 R586 F588	L541-T578 HydrophobicContact CD2-CG2 3.95Å; I564-T578 HydrophobicContact CD1-CG2 4.48Å; I564-T578 HydrophobicContact CG2-CG2 4.49Å; C566-T578 CarbonylContact O-C 3.5Å; C566-T578 WeakPolarHBondContact O-CA 3.1Å; T567-T578 HydrophobicContact CG2-CG2 3.87Å; L576-T578 HydrophobicContact CD2-CG2 3.72Å; L576-T578 HydrophobicContact CG-CG2 4Å; T578-I585 VanDerWaalsContact O-CA 3.28Å; T578-I585 WeakPolarHBondContact O-CA 3.35Å; T578-R586 PolarHBondContact N-O 2.96Å; T578-R586 PolarHBondContact O-N 2.61Å; T578-R586 PolarHBondContact OG1-O 3.1Å; T578-R586 VanDerWaalsContact OG1-O 3.08Å; T578-F588 HydrophobicContact CG2-CD2 4.05Å; T578-F588 HydrophobicContact CG2-CE2 3.97Å
579	G	96.4	Very high	94.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.1	174	0	0	0	0	0	110.8	N565 C566	N565-G579 PolarHBondContact N-O 3.01Å; C566-G579 PolarHBondContact N-O 3.17Å; C566-G579 PolarHBondContact O-N 3.14Å
580	A	95.7	Very high	94.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	166.1	-171.4	0	0	0	0	0	114.2	V562 A563 I564 D582 G583 V584 V606	V562-A580 HydrophobicContact CG1-CB 3.93Å; V562-A580 HydrophobicContact CG2-CB 4.22Å; A563-A580 WeakPolarHBondContact O-CA 3.43Å; I564-A580 HydrophobicContact CG1-CB 3.96Å; A580-D582 WeakPolarHBondContact CB-OD1 3.19Å; A580-D582 PolarHBondContact O-N 3.05Å; A580-G583 PolarHBondContact O-N 2.87Å; A580-V584 PolarHBondContact N-O 2.86Å; A580-V584 VanDerWaalsContact N-O 3.15Å; A580-V606 PolarHBondContact O-N 2.83Å
581	A	93.4	Very high	94.4	Very high	18 Å²	18	30 Å²	30	15%	0.149	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-7.6	-178.9	0	0	0	0	0	114.1	V562 A563 G583 E605	V562-A581 HydrophobicContact CG2-CB 4.4Å; A563-A581 HydrophobicContact CB-CB 4.31Å; A563-A581 PolarHBondContact O-N 2.92Å; A581-G583 VanDerWaalsContact C-N 3.31Å; A581-E605 HydrophobicContact CB-CG 4.04Å
582	D	92.6	Very high	94.4	Very high	43 Å²	43	30.7 Å²	30.7	23%	0.23	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	2.1	171	60.7	-4.8	0	0	0	113.3	P536 V562 A580 V584 R586	P536-D582 HydrophobicContact CB-CB 4.49Å; V562-D582 HydrophobicContact CG2-CB 4.09Å; A580-D582 WeakPolarHBondContact CB-OD1 3.19Å; A580-D582 PolarHBondContact O-N 3.05Å; D582-V584 HydrophobicContact CB-CG2 4.46Å; D582-V584 PolarHBondContact O-N 3.08Å; D582-V584 VanDerWaalsContact OD1-CB 3.31Å; D582-V584 WeakPolarHBondContact OD1-CB 3.32Å; D582-V584 PolarHBondContact OD1-N 2.9Å; D582-R586 IonicContact OD1-NH1 2.76Å; D582-R586 PolarHBondContact OD1-NH1 3.02Å; D582-R586 IonicContact OD2-CZ 2.73Å; D582-R586 IonicContact OD2-NH1 3.52Å; D582-R586 PolarHBondContact OD2-NH1 3Å; D582-R586 IonicContact OD2-NH2 3.19Å; D582-R586 PolarHBondContact OD2-NH2 2.98Å
583	G	93.6	Very high	94.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	76.5	6.1	-175.1	0	0	0	0	0	114.1	A580 A581 A601 H602 G604	A580-G583 PolarHBondContact O-N 2.87Å; A581-G583 VanDerWaalsContact C-N 3.31Å; G583-A601 PolarHBondContact O-N 2.98Å; G583-H602 PolarHBondContact O-N 2.79Å; G583-H602 VanDerWaalsContact O-N 3.14Å; G583-G604 WeakPolarHBondContact CA-O 3.45Å; G583-G604 PolarHBondContact N-O 2.82Å
584	V	95.4	Very high	94.4	Very high	25 Å²	25	36.6 Å²	36.6	15%	0.152	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	136	-179	177.7	0	0	0	0	110.6	A580 D582 R586 W599 R600	A580-V584 PolarHBondContact N-O 2.86Å; A580-V584 VanDerWaalsContact N-O 3.15Å; D582-V584 HydrophobicContact CB-CG2 4.46Å; D582-V584 PolarHBondContact O-N 3.08Å; D582-V584 VanDerWaalsContact OD1-CB 3.31Å; D582-V584 WeakPolarHBondContact OD1-CB 3.32Å; D582-V584 PolarHBondContact OD1-N 2.9Å; V584-R586 HydrophobicContact CG1-CG 4.01Å; V584-W599 WeakPolarHBondContact CA-O 3.46Å; V584-W599 WeakPolarHBondContact CG1-O 3.46Å; V584-R600 HydrophobicContact CG2-CB 4.39Å
585	I	96.7	Very high	94.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.8	166.1	-68.9	174.8	0	0	0	108.6	V577 T578 S598 W599 A601 V606 V609 S620	V577-I585 HydrophobicContact CG2-CG2 3.53Å; T578-I585 VanDerWaalsContact O-CA 3.28Å; T578-I585 WeakPolarHBondContact O-CA 3.35Å; I585-S598 VanDerWaalsContact O-CA 3.28Å; I585-S598 WeakPolarHBondContact O-CA 3.48Å; I585-W599 HydrophobicContact CB-CD2 4.35Å; I585-W599 HydrophobicContact CB-CZ2 4Å; I585-W599 HydrophobicContact CD1-CZ2 4.45Å; I585-W599 HydrophobicContact CG2-CD2 4.49Å; I585-W599 HydrophobicContact CG2-CH2 3.69Å; I585-W599 HydrophobicContact CG2-CZ2 3.48Å; I585-W599 VanDerWaalsContact CG2-CZ2 3.48Å; I585-W599 HydrophobicContact CG2-CZ3 4.27Å; I585-W599 PolarHBondContact N-O 2.94Å; I585-W599 PolarHBondContact O-N 2.88Å; I585-A601 HydrophobicContact CB-CB 4.24Å; I585-A601 HydrophobicContact CD1-CB 3.42Å; I585-A601 VanDerWaalsContact CD1-CB 3.42Å; I585-A601 HydrophobicContact CG1-CB 3.58Å; I585-V606 HydrophobicContact CG1-CG2 4.43Å; I585-V609 HydrophobicContact CD1-CG1 3.96Å; I585-V609 HydrophobicContact CG1-CG1 4.16Å; I585-S620 VanDerWaalsContact CD1-CB 3.43Å
586	R	95.6	Very high	94.2	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.1	176.5	-58.7	175.6	174.1	76.2	-2.9	109.2	E558 T578 D582 V584 F588	E558-R586 PolarHBondContact O-NE 3.39Å; E558-R586 VanDerWaalsContact O-NE 3.13Å; E558-R586 PolarHBondContact O-NH2 2.75Å; T578-R586 PolarHBondContact N-O 2.96Å; T578-R586 PolarHBondContact O-N 2.61Å; T578-R586 PolarHBondContact OG1-O 3.1Å; T578-R586 VanDerWaalsContact OG1-O 3.08Å; D582-R586 IonicContact OD1-NH1 2.76Å; D582-R586 PolarHBondContact OD1-NH1 3.02Å; D582-R586 IonicContact OD2-CZ 2.73Å; D582-R586 IonicContact OD2-NH1 3.52Å; D582-R586 PolarHBondContact OD2-NH1 3Å; D582-R586 IonicContact OD2-NH2 3.19Å; D582-R586 PolarHBondContact OD2-NH2 2.98Å; V584-R586 HydrophobicContact CG1-CG 4.01Å; R586-F588 HydrophobicContact CB-CD2 4.48Å; R586-F588 HydrophobicContact CB-CE2 3.68Å; R586-F588 HydrophobicContact CB-CZ 4.06Å
587	L	95.9	Very high	94	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.2	178.3	-179.8	68.1	0	0	0	108.8	L575 V577 S595 A596 M597 W599 F611	L575-L587 HydrophobicContact CB-CD1 4.21Å; V577-L587 HydrophobicContact CB-CD1 4.13Å; L587-S595 CarbonylContact O-C 3.51Å; L587-A596 PolarHBondContact O-N 2.95Å; L587-M597 HydrophobicContact CB-CB 4.33Å; L587-M597 PolarHBondContact N-O 2.88Å; L587-M597 PolarHBondContact O-N 2.93Å; L587-W599 HydrophobicContact CB-CZ3 4.28Å; L587-F611 HydrophobicContact CD1-CE1 4.03Å; L587-F611 HydrophobicContact CD1-CZ 3.7Å
588	F	95.8	Very high	93.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	136	-178.5	-64.8	-91.5	0	0	0	111.6	L541 F555 L557 L575 L576 T578 R586 E594	L541-F588 HydrophobicContact CD2-CD2 4.21Å; L541-F588 HydrophobicContact CD2-CE2 3.81Å; L541-F588 HydrophobicContact CD2-CZ 4.13Å; F555-F588 HydrophobicContact CB-CD1 4.28Å; F555-F588 HydrophobicContact CB-CE1 3.86Å; F555-F588 HydrophobicContact CB-CZ 4.4Å; F555-F588 AromaticContact CD1-CD1 3.64Å; F555-F588 HydrophobicContact CD1-CD1 3.64Å; F555-F588 HydrophobicContact CD1-CE1 4.11Å; F555-F588 HydrophobicContact CD1-CG 4.17Å; F555-F588 HydrophobicContact CE1-CB 4.39Å; F555-F588 HydrophobicContact CE1-CD1 4.33Å; F555-F588 HydrophobicContact CE1-CG 4.49Å; F555-F588 HydrophobicContact CG-CD1 4.25Å; F555-F588 HydrophobicContact CG-CE1 4.3Å; L557-F588 HydrophobicContact CD2-CZ 3.79Å; L575-F588 WeakPolarHBondContact CA-O 3.23Å; L576-F588 HydrophobicContact CB-CB 4.41Å; L576-F588 HydrophobicContact CD2-CD2 4.42Å; L576-F588 PolarHBondContact N-O 3.15Å; L576-F588 VanDerWaalsContact N-O 3.09Å; L576-F588 PolarHBondContact O-N 2.96Å; T578-F588 HydrophobicContact CG2-CD2 4.05Å; T578-F588 HydrophobicContact CG2-CE2 3.97Å; R586-F588 HydrophobicContact CB-CD2 4.48Å; R586-F588 HydrophobicContact CB-CE2 3.68Å; R586-F588 HydrophobicContact CB-CZ 4.06Å; F588-E594 WeakPolarHBondContact CA-O 3.31Å
589	D	94.1	Very high	93.7	Very high	31 Å²	31	43.5 Å²	43.5	17%	0.166	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	115.9	165.1	175.1	-16.6	0	0	0	107.8	Q591 R592 Y593 E594 A596	D589-Q591 VanDerWaalsContact C-N 3.31Å; D589-Q591 PolarHBondContact O-N 3.42Å; D589-Q591 WeakPolarHBondContact OD1-CA 3.48Å; D589-Q591 VanDerWaalsContact OD1-CB 3.3Å; D589-Q591 WeakPolarHBondContact OD1-CB 3.26Å; D589-Q591 PolarHBondContact OD1-N 3.33Å; D589-R592 HydrophobicContact CB-CB 4.35Å; D589-R592 PolarHBondContact O-N 2.89Å; D589-R592 PolarHBondContact OD1-N 3.48Å; D589-R592 WeakPolarHBondContact OD2-CD 3.29Å; D589-R592 WeakPolarHBondContact OD2-CG 3.44Å; D589-R592 IonicContact OD2-NE 3.74Å; D589-R592 PolarHBondContact OD2-NE 2.83Å; D589-R592 VanDerWaalsContact OD2-NE 3.08Å; D589-Y593 WeakPolarHBondContact O-CA 3.37Å; D589-Y593 PolarHBondContact O-N 2.95Å; D589-E594 PolarHBondContact N-O 3Å; D589-E594 PolarHBondContact O-N 2.92Å; D589-A596 HydrophobicContact CB-CB 4.31Å
590	M	93.3	Very high	93.6	Very high	18 Å²	18	51.4 Å²	51.4	9%	0.089	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.5	-177	-61	-68.1	-52.3	0	0	113.7	V515 L543 F555 F569 N574 L576 Y593	V515-M590 HydrophobicContact CG2-CE 4.36Å; L543-M590 HydrophobicContact CD1-CE 4.04Å; L543-M590 HydrophobicContact CD2-CE 4.49Å; F555-M590 HydrophobicContact CE1-CE 4.48Å; F555-M590 HydrophobicContact CE1-SD 3.99Å; F555-M590 HydrophobicContact CZ-CE 3.86Å; F555-M590 HydrophobicContact CZ-SD 3.78Å; F569-M590 HydrophobicContact CE1-CE 3.82Å; F569-M590 HydrophobicContact CE1-CG 3.94Å; F569-M590 HydrophobicContact CE1-SD 3.96Å; F569-M590 HydrophobicContact CZ-CE 4.04Å; N574-M590 WeakPolarHBondContact O-CB 3.4Å; N574-M590 PolarHBondContact O-N 2.84Å; L576-M590 HydrophobicContact CB-CG 4.11Å; L576-M590 HydrophobicContact CB-SD 3.66Å; L576-M590 HydrophobicContact CD2-SD 4.36Å; M590-Y593 HydrophobicContact CE-CD1 4.45Å; M590-Y593 HydrophobicContact CE-CE1 4.35Å; M590-Y593 WeakPolarHBondContact O-CE1 3.25Å
591	Q	91.4	Very high	93.6	Very high	137 Å²	137	51.7 Å²	51.7	64%	0.64	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-31.5	169.7	-54.4	-173.1	-3.1	0	0	111.1	N574 D589	N574-Q591 PolarHBondContact OD1-NE2 3.24Å; D589-Q591 VanDerWaalsContact C-N 3.31Å; D589-Q591 PolarHBondContact O-N 3.42Å; D589-Q591 WeakPolarHBondContact OD1-CA 3.48Å; D589-Q591 VanDerWaalsContact OD1-CB 3.3Å; D589-Q591 WeakPolarHBondContact OD1-CB 3.26Å; D589-Q591 PolarHBondContact OD1-N 3.33Å
592	R	90.6	Very high	93.7	Very high	175 Å²	175	51 Å²	51	66%	0.66	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-25.9	176.7	-60.5	179.1	-164.9	-137.9	-4.4	114	D589 E594	D589-R592 HydrophobicContact CB-CB 4.35Å; D589-R592 PolarHBondContact O-N 2.89Å; D589-R592 PolarHBondContact OD1-N 3.48Å; D589-R592 WeakPolarHBondContact OD2-CD 3.29Å; D589-R592 WeakPolarHBondContact OD2-CG 3.44Å; D589-R592 IonicContact OD2-NE 3.74Å; D589-R592 PolarHBondContact OD2-NE 2.83Å; D589-R592 VanDerWaalsContact OD2-NE 3.08Å; R592-E594 VanDerWaalsContact C-N 3.27Å; R592-E594 HydrophobicContact CB-CB 4.21Å; R592-E594 HydrophobicContact CB-CG 4.16Å
593	Y	90.8	Very high	93.8	Very high	92 Å²	92	54.4 Å²	54.4	36%	0.361	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	27.5	-169	-48.2	-78.9	0	0	0	114.5	L543 L553 F555 D589 M590	L543-Y593 HydrophobicContact CD2-CD1 3.87Å; L543-Y593 HydrophobicContact CD2-CE1 3.4Å; L553-Y593 VanDerWaalsContact CD1-CB 3.43Å; L553-Y593 HydrophobicContact CD1-CD1 4.22Å; L553-Y593 HydrophobicContact CD1-CD2 3.87Å; L553-Y593 HydrophobicContact CD1-CG 3.57Å; L553-Y593 HydrophobicContact CD2-CD1 4.28Å; L553-Y593 HydrophobicContact CD2-CG 4.2Å; L553-Y593 HydrophobicContact CG-CG 4.47Å; F555-Y593 WeakPolarHBondContact CD1-O 3.38Å; F555-Y593 HydrophobicContact CE1-CD1 4.09Å; F555-Y593 HydrophobicContact CZ-CD1 4.3Å; D589-Y593 WeakPolarHBondContact O-CA 3.37Å; D589-Y593 PolarHBondContact O-N 2.95Å; M590-Y593 HydrophobicContact CE-CD1 4.45Å; M590-Y593 HydrophobicContact CE-CE1 4.35Å; M590-Y593 WeakPolarHBondContact O-CE1 3.25Å
594	E	90.9	Very high	93.7	Very high	121 Å²	121	55.5 Å²	55.5	57%	0.565	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	153.7	-178.2	-66.3	178.3	147.4	0	0	111.2	F588 D589 R592 A596	F588-E594 WeakPolarHBondContact CA-O 3.31Å; D589-E594 PolarHBondContact N-O 3Å; D589-E594 PolarHBondContact O-N 2.92Å; R592-E594 VanDerWaalsContact C-N 3.27Å; R592-E594 HydrophobicContact CB-CB 4.21Å; R592-E594 HydrophobicContact CB-CG 4.16Å; E594-A596 PolarHBondContact O-N 3.28Å; E594-A596 VanDerWaalsContact O-N 3.14Å
595	S	92.5	Very high	93.6	Very high	51 Å²	51	57.3 Å²	57.3	36%	0.357	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	100.4	173.3	176.9	0	0	0	0	109.8	L587 M597	L587-S595 CarbonylContact O-C 3.51Å; S595-M597 PolarHBondContact OG-O 3.25Å
596	A	92.1	Very high	93.6	Very high	59 Å²	59	57.3 Å²	57.3	49%	0.488	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	-36.4	178.6	0	0	0	0	0	112.8	L587 D589 E594	L587-A596 PolarHBondContact O-N 2.95Å; D589-A596 HydrophobicContact CB-CB 4.31Å; E594-A596 PolarHBondContact O-N 3.28Å; E594-A596 VanDerWaalsContact O-N 3.14Å
597	M	92.7	Very high	93.6	Very high	56 Å²	56	58.3 Å²	58.3	28%	0.276	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149.3	177	-59.5	-169.5	-160.6	0	0	111.7	L587 S595 W599 I632 C635	L587-M597 HydrophobicContact CB-CB 4.33Å; L587-M597 PolarHBondContact N-O 2.88Å; L587-M597 PolarHBondContact O-N 2.93Å; S595-M597 PolarHBondContact OG-O 3.25Å; M597-W599 HydrophobicContact CB-CE3 4.26Å; M597-W599 HydrophobicContact CB-CZ3 3.98Å; M597-I632 WeakPolarHBondContact CE-O 3.39Å; M597-I632 VanDerWaalsContact SD-O 3.33Å; M597-C635 HydrophobicContact CB-CB 4.31Å; M597-C635 HydrophobicContact CG-CB 4.3Å; M597-C635 HydrophobicContact SD-CB 3.73Å
598	S	93.8	Very high	93.6	Very high	62 Å²	62	58.3 Å²	58.3	43%	0.434	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	141.2	170	61.6	0	0	0	0	111.7	I585 C635	I585-S598 VanDerWaalsContact O-CA 3.28Å; I585-S598 WeakPolarHBondContact O-CA 3.48Å; S598-C635 PolarHBondContact O-SG 2.89Å
599	W	95.3	Very high	93.7	Very high	16 Å²	16	58.8 Å²	58.8	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.6	179.4	63	96.6	0	0	0	111.9	V584 I585 L587 M597 A601 W630	V584-W599 WeakPolarHBondContact CA-O 3.46Å; V584-W599 WeakPolarHBondContact CG1-O 3.46Å; I585-W599 HydrophobicContact CB-CD2 4.35Å; I585-W599 HydrophobicContact CB-CZ2 4Å; I585-W599 HydrophobicContact CD1-CZ2 4.45Å; I585-W599 HydrophobicContact CG2-CD2 4.49Å; I585-W599 HydrophobicContact CG2-CH2 3.69Å; I585-W599 HydrophobicContact CG2-CZ2 3.48Å; I585-W599 VanDerWaalsContact CG2-CZ2 3.48Å; I585-W599 HydrophobicContact CG2-CZ3 4.27Å; I585-W599 PolarHBondContact N-O 2.94Å; I585-W599 PolarHBondContact O-N 2.88Å; L587-W599 HydrophobicContact CB-CZ3 4.28Å; M597-W599 HydrophobicContact CB-CE3 4.26Å; M597-W599 HydrophobicContact CB-CZ3 3.98Å; W599-A601 PolarHBondContact O-N 2.83Å; W599-W630 AromaticContact CD1-CD2 3.91Å; W599-W630 AromaticContact CD1-CE3 3.59Å; W599-W630 AromaticContact CD1-CH2 3.84Å; W599-W630 AromaticContact CD1-CZ3 3.53Å; W599-W630 HydrophobicContact CZ2-CB 3.83Å; W599-W630 HydrophobicContact CZ2-CD2 4.43Å; W599-W630 AromaticContact CZ2-CG 3.94Å; W599-W630 HydrophobicContact CZ2-CG 3.94Å; W599-W630 AromaticContact NE1-CD2 3.15Å; W599-W630 AromaticContact NE1-CE2 3.5Å; W599-W630 AromaticContact NE1-CE3 3.28Å; W599-W630 VanDerWaalsContact NE1-CE3 3.28Å; W599-W630 AromaticContact NE1-CG 3.58Å; W599-W630 AromaticContact NE1-CH2 3.99Å; W599-W630 AromaticContact NE1-CZ2 3.93Å; W599-W630 AromaticContact NE1-CZ3 3.69Å
600	R	94.6	Very high	93.8	Very high	165 Å²	165	59.6 Å²	59.6	62%	0.623	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	116.8	170	-173.4	171.4	179.8	157.5	-5.9	108.7	V584 D603	V584-R600 HydrophobicContact CG2-CB 4.39Å; R600-D603 IonicContact CZ-OD1 2.69Å; R600-D603 IonicContact NH2-OD1 3.33Å; R600-D603 PolarHBondContact NH2-OD1 3.14Å
601	A	94.9	Very high	93.9	Very high	6 Å²	6	59.5 Å²	59.5	5%	0.05	29%	0.294	C	S	.	.			trans	-98	-48.5	-173.5	0	0	0	0	0	112.1	G583 I585 W599 W630	G583-A601 PolarHBondContact O-N 2.98Å; I585-A601 HydrophobicContact CB-CB 4.24Å; I585-A601 HydrophobicContact CD1-CB 3.42Å; I585-A601 VanDerWaalsContact CD1-CB 3.42Å; I585-A601 HydrophobicContact CG1-CB 3.58Å; W599-A601 PolarHBondContact O-N 2.83Å; A601-W630 HydrophobicContact CB-CH2 4.13Å; A601-W630 HydrophobicContact CB-CZ2 3.49Å; A601-W630 VanDerWaalsContact CB-CZ2 3.49Å; A601-W630 WeakPolarHBondContact O-CZ2 3.44Å
602	H	95.6	Very high	93.9	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.023	27%	0.267	C	S	.	.			trans	-123.5	166	-174	-67.9	-83.1	0	0	0	111.9	G583 S620 G622 D624 K626	G583-H602 PolarHBondContact O-N 2.79Å; G583-H602 VanDerWaalsContact O-N 3.14Å; H602-S620 WeakPolarHBondContact NE2-CB 3.29Å; H602-S620 PolarHBondContact NE2-OG 3.41Å; H602-G622 PolarHBondContact CE1-N 3.03Å; H602-D624 VanDerWaalsContact CA-OD2 3.27Å; H602-D624 WeakPolarHBondContact CA-OD2 3.3Å; H602-D624 WeakPolarHBondContact CB-OD2 3.34Å; H602-D624 IonicContact CE1-OD1 2.64Å; H602-D624 IonicContact CG-OD1 2.78Å; H602-D624 IonicContact CG-OD2 2.69Å; H602-D624 IonicContact ND1-OD1 2.96Å; H602-D624 PolarHBondContact ND1-OD1 2.92Å; H602-D624 IonicContact ND1-OD2 3.11Å; H602-D624 PolarHBondContact ND1-OD2 2.95Å; H602-K626 PolarHBondContact CE1-O 3.13Å; H602-K626 VanDerWaalsContact CE1-O 3.23Å
603	D	94.1	Very high	93.8	Very high	113 Å²	113	53.6 Å²	53.6	60%	0.604	27%	0.269	S	S	*	.	S	Bend	trans	-104.4	83.4	169.3	-156.7	37.2	0	0	0	110.7	R600 D624	R600-D603 IonicContact CZ-OD1 2.69Å; R600-D603 IonicContact NH2-OD1 3.33Å; R600-D603 PolarHBondContact NH2-OD1 3.14Å; D603-D624 HydrophobicContact CB-CB 4.4Å; D603-D624 PolarHBondContact N-OD2 3.15Å
604	G	91.5	Very high	93.7	Very high	23 Å²	23	53.4 Å²	53.4	24%	0.237	27%	0.274	C	S	.	.	S	Bend	trans	127.8	-171.6	-169.5	0	0	0	0	0	111.2	G583 E623	G583-G604 WeakPolarHBondContact CA-O 3.45Å; G583-G604 PolarHBondContact N-O 2.82Å; G604-E623 WeakPolarHBondContact CA-OE2 3.25Å
605	E	93.4	Very high	93.6	Very high	64 Å²	64	49.6 Å²	49.6	30%	0.299	26%	0.256	S	S	.	.			trans	-64	140	-176.6	-67.1	-163.3	-179.1	0	0	112.9	N565 A581 Y607 G622 E623	N565-E605 PolarHBondContact ND2-OE2 3.04Å; A581-E605 HydrophobicContact CB-CG 4.04Å; E605-Y607 HydrophobicContact CB-CD1 4.14Å; E605-Y607 HydrophobicContact CB-CE1 3.63Å; E605-G622 CarbonylContact O-C 3.51Å; E605-G622 WeakPolarHBondContact O-CA 3.24Å; E605-E623 PolarHBondContact N-OE2 2.84Å; E605-E623 PolarHBondContact O-N 2.71Å
606	V	96.7	Very high	93.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131.6	166	-168	0	0	0	0	109.2	N565 A580 I585 V609	N565-V606 WeakPolarHBondContact CB-O 3.42Å; N565-V606 PolarHBondContact ND2-O 2.73Å; A580-V606 PolarHBondContact O-N 2.83Å; I585-V606 HydrophobicContact CG1-CG2 4.43Å; V606-V609 HydrophobicContact CG1-CG1 3.76Å
607	Y	95.9	Very high	93.6	Very high	24 Å²	24	47.4 Å²	47.4	9%	0.094	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-32.4	-173.8	-64.2	-36.1	0	0	0	114.6	E605 V621 E623 V665 P666 L670	E605-Y607 HydrophobicContact CB-CD1 4.14Å; E605-Y607 HydrophobicContact CB-CE1 3.63Å; Y607-V621 PolarHBondContact N-O 3.2Å; Y607-E623 HydrophobicContact CE2-CB 4.05Å; Y607-V665 HydrophobicContact CE1-CG1 4.43Å; Y607-P666 HydrophobicContact CD1-CB 4.05Å; Y607-P666 HydrophobicContact CD1-CG 4.39Å; Y607-P666 HydrophobicContact CD2-CB 4.02Å; Y607-P666 HydrophobicContact CD2-CG 3.7Å; Y607-P666 HydrophobicContact CE1-CB 4.47Å; Y607-P666 HydrophobicContact CE1-CG 4.46Å; Y607-P666 HydrophobicContact CE2-CB 4.41Å; Y607-P666 HydrophobicContact CE2-CG 3.75Å; Y607-P666 HydrophobicContact CG-CB 3.81Å; Y607-P666 HydrophobicContact CG-CG 4.03Å; Y607-L670 HydrophobicContact CD2-CD1 3.8Å; Y607-L670 HydrophobicContact CG-CD1 4.13Å
608	S	96.6	Very high	93.7	Very high	7 Å²	7	44.8 Å²	44.8	5%	0.049	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	142.8	171.9	-57.5	0	0	0	0	110.5	S620 V621 L670	S608-S620 WeakPolarHBondContact O-CA 3.39Å; S608-V621 PolarHBondContact N-O 2.86Å; S608-V621 PolarHBondContact O-N 3.03Å; S608-L670 PolarHBondContact OG-N 2.73Å; S608-L670 VanDerWaalsContact OG-N 3.15Å
609	V	97.4	Very high	93.8	Very high	10 Å²	10	42.1 Å²	42.1	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143	173.6	-66.3	0	0	0	0	109	C566 A568 V577 I585 V606 F619	C566-V609 HydrophobicContact CB-CG2 4.19Å; A568-V609 WeakPolarHBondContact CB-O 3.45Å; V577-V609 HydrophobicContact CG1-CB 4.2Å; V577-V609 HydrophobicContact CG1-CG2 3.97Å; V577-V609 HydrophobicContact CG2-CB 4.48Å; I585-V609 HydrophobicContact CD1-CG1 3.96Å; I585-V609 HydrophobicContact CG1-CG1 4.16Å; V606-V609 HydrophobicContact CG1-CG1 3.76Å; V609-F619 WeakPolarHBondContact CA-O 3.37Å
610	E	96	Very high	93.8	Very high	47 Å²	47	41.4 Å²	41.4	22%	0.22	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	152.1	179.9	-166.1	161.5	-141.8	0	0	109.6	V618 F619 F671 F673	E610-V618 CarbonylContact O-C 3.59Å; E610-V618 WeakPolarHBondContact O-CA 3.27Å; E610-F619 PolarHBondContact N-O 2.83Å; E610-F619 VanDerWaalsContact N-O 3.08Å; E610-F619 PolarHBondContact O-N 3.09Å; E610-F671 HydrophobicContact CB-CE2 3.76Å; E610-F671 HydrophobicContact CB-CZ 4.11Å; E610-F671 WeakPolarHBondContact OE2-CE2 3.38Å; E610-F673 HydrophobicContact CB-CE2 4.06Å; E610-F673 HydrophobicContact CG-CD2 4.16Å; E610-F673 HydrophobicContact CG-CE2 4.02Å; E610-F673 VanDerWaalsContact OE2-CD2 3.29Å; E610-F673 WeakPolarHBondContact OE2-CD2 3.32Å; E610-F673 WeakPolarHBondContact OE2-CE2 3.28Å
611	F	94.9	Very high	93.9	Very high	17 Å²	17	33.5 Å²	33.5	8%	0.075	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	152.1	173.7	-72.6	-86.4	0	0	0	110.8	N570 L575 V577 L587 V618 I632	N570-F611 HydrophobicContact CB-CD1 4.38Å; N570-F611 HydrophobicContact CB-CD2 3.84Å; N570-F611 HydrophobicContact CB-CE1 4.33Å; N570-F611 HydrophobicContact CB-CE2 3.78Å; N570-F611 HydrophobicContact CB-CG 4.14Å; N570-F611 HydrophobicContact CB-CZ 4.04Å; L575-F611 HydrophobicContact CB-CE1 4.47Å; L575-F611 HydrophobicContact CB-CZ 3.89Å; V577-F611 HydrophobicContact CB-CE2 3.91Å; V577-F611 HydrophobicContact CB-CZ 3.82Å; V577-F611 HydrophobicContact CG1-CD2 3.96Å; V577-F611 HydrophobicContact CG1-CE2 3.53Å; V577-F611 HydrophobicContact CG1-CZ 3.93Å; L587-F611 HydrophobicContact CD1-CE1 4.03Å; L587-F611 HydrophobicContact CD1-CZ 3.7Å; F611-V618 HydrophobicContact CD1-CG2 3.75Å; F611-V618 HydrophobicContact CE1-CG2 3.76Å; F611-V618 HydrophobicContact CG-CG2 4.43Å; F611-V618 HydrophobicContact CZ-CG2 4.45Å; F611-I632 HydrophobicContact CE1-CG2 4.43Å
612	S	92.1	Very high	93.9	Very high	11 Å²	11	33.2 Å²	33.2	8%	0.077	17%	0.165	C	C	.	.			trans	-68.5	157.7	163.4	54.7	0	0	0	0	111.2	D614 E615 T617	S612-D614 VanDerWaalsContact CB-OD1 3.25Å; S612-D614 WeakPolarHBondContact CB-OD1 3.4Å; S612-D614 PolarHBondContact O-N 2.94Å; S612-D614 PolarHBondContact OG-OD1 3.35Å; S612-E615 WeakPolarHBondContact O-CA 3.44Å; S612-E615 PolarHBondContact O-N 3.19Å; S612-T617 WeakPolarHBondContact CB-OG1 3.27Å; S612-T617 PolarHBondContact N-O 3.35Å; S612-T617 PolarHBondContact OG-N 2.81Å; S612-T617 PolarHBondContact OG-O 3.24Å; S612-T617 PolarHBondContact OG-OG1 2.83Å
613	Y	88.1	Confident	93.9	Very high	176 Å²	176	38 Å²	38	69%	0.69	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.4	-179.7	-179.2	-94.4	0	0	0	113.6	E615 S675	Y613-E615 VanDerWaalsContact C-N 3.35Å; Y613-S675 WeakPolarHBondContact CD2-O 3.49Å; Y613-S675 WeakPolarHBondContact CE2-O 3.45Å
614	D	87.9	Confident	93.9	Very high	89 Å²	89	34 Å²	34	48%	0.476	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	5	176.6	74.8	-29	0	0	0	114.1	S612 N616	S612-D614 VanDerWaalsContact CB-OD1 3.25Å; S612-D614 WeakPolarHBondContact CB-OD1 3.4Å; S612-D614 PolarHBondContact O-N 2.94Å; S612-D614 PolarHBondContact OG-OD1 3.35Å; D614-N616 PolarHBondContact O-N 3.28Å; D614-N616 PolarHBondContact O-ND2 3.21Å; D614-N616 PolarHBondContact OD1-N 3.49Å; D614-N616 WeakPolarHBondContact OD2-CB 3.35Å; D614-N616 PolarHBondContact OD2-ND2 3.14Å
615	E	90.1	Very high	93.9	Very high	40 Å²	40	37.9 Å²	37.9	19%	0.187	17%	0.174	C	C	.	.	S	Bend	trans	56.2	-5.7	-174.2	-53.4	-163.6	158.8	0	0	116.7	N570 H571 N572 S612 Y613 T617 I632	N570-E615 HydrophobicContact CB-CG 4.47Å; N570-E615 VanDerWaalsContact CB-OE1 3.27Å; N570-E615 WeakPolarHBondContact CB-OE1 3.34Å; N570-E615 VanDerWaalsContact ND2-CD 3.35Å; N570-E615 PolarHBondContact ND2-OE1 3.38Å; N570-E615 PolarHBondContact ND2-OE2 2.82Å; H571-E615 VanDerWaalsContact CB-OE1 3.27Å; H571-E615 WeakPolarHBondContact CB-OE1 3.23Å; H571-E615 PolarHBondContact N-OE1 2.84Å; N572-E615 PolarHBondContact ND2-OE2 3.02Å; S612-E615 WeakPolarHBondContact O-CA 3.44Å; S612-E615 PolarHBondContact O-N 3.19Å; Y613-E615 VanDerWaalsContact C-N 3.35Å; E615-T617 PolarHBondContact O-N 2.96Å; E615-I632 WeakPolarHBondContact O-CD1 3.45Å; E615-I632 WeakPolarHBondContact O-CG1 3.39Å
616	N	90.6	Very high	94	Very high	61 Å²	61	37.6 Å²	37.6	33%	0.326	17%	0.172	S	C	.	.	S	Bend	trans	-72.3	-13.2	-176.4	-66.9	-58.2	0	0	0	114	D614 I632 H633	D614-N616 PolarHBondContact O-N 3.28Å; D614-N616 PolarHBondContact O-ND2 3.21Å; D614-N616 PolarHBondContact OD1-N 3.49Å; D614-N616 WeakPolarHBondContact OD2-CB 3.35Å; D614-N616 PolarHBondContact OD2-ND2 3.14Å; N616-I632 PolarHBondContact O-N 3.38Å; N616-I632 VanDerWaalsContact O-N 3.1Å; N616-H633 WeakPolarHBondContact CA-NE2 3.08Å; N616-H633 VanDerWaalsContact CB-NE2 3.33Å; N616-H633 WeakPolarHBondContact CB-NE2 3.39Å; N616-H633 PolarHBondContact OD1-NE2 3.43Å
617	T	92.6	Very high	93.9	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.025	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158	176.8	64.4	0	0	0	0	113.8	S612 E615 Q629 W630 Q639	S612-T617 WeakPolarHBondContact CB-OG1 3.27Å; S612-T617 PolarHBondContact N-O 3.35Å; S612-T617 PolarHBondContact OG-N 2.81Å; S612-T617 PolarHBondContact OG-O 3.24Å; S612-T617 PolarHBondContact OG-OG1 2.83Å; E615-T617 PolarHBondContact O-N 2.96Å; T617-Q629 HydrophobicContact CG2-CG 3.96Å; T617-Q629 PolarHBondContact OG1-NE2 2.91Å; T617-Q629 VanDerWaalsContact OG1-NE2 3.15Å; T617-W630 CarbonylContact C-O 3.26Å; T617-W630 WeakPolarHBondContact CA-O 3.33Å; T617-W630 WeakPolarHBondContact CB-O 3.4Å; T617-Q639 HydrophobicContact CG2-CG 4.49Å
618	V	95.1	Very high	93.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.2	165.4	162.9	0	0	0	0	107.8	V577 E610 F611 Q629 W630 I632	V577-V618 HydrophobicContact CB-CG2 4.24Å; V577-V618 HydrophobicContact CG1-CG2 4.33Å; V577-V618 HydrophobicContact CG2-CG1 3.91Å; V577-V618 HydrophobicContact CG2-CG2 3.97Å; E610-V618 CarbonylContact O-C 3.59Å; E610-V618 WeakPolarHBondContact O-CA 3.27Å; F611-V618 HydrophobicContact CD1-CG2 3.75Å; F611-V618 HydrophobicContact CE1-CG2 3.76Å; F611-V618 HydrophobicContact CG-CG2 4.43Å; F611-V618 HydrophobicContact CZ-CG2 4.45Å; V618-Q629 CarbonylContact O-C 3.55Å; V618-Q629 WeakPolarHBondContact O-CA 3.14Å; V618-W630 PolarHBondContact N-O 3.49Å; V618-W630 PolarHBondContact O-N 2.75Å; V618-I632 HydrophobicContact CG2-CG2 3.8Å
619	F	95.8	Very high	93.7	Very high	7 Å²	7	37.2 Å²	37.2	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	144.1	166.4	-69.4	-82.5	0	0	0	110.3	V609 E610 F627 I628 Q629 F671 F673 L693	V609-F619 WeakPolarHBondContact CA-O 3.37Å; E610-F619 PolarHBondContact N-O 2.83Å; E610-F619 VanDerWaalsContact N-O 3.08Å; E610-F619 PolarHBondContact O-N 3.09Å; F619-F627 HydrophobicContact CB-CE2 4.01Å; F619-F627 HydrophobicContact CB-CZ 3.95Å; F619-F627 HydrophobicContact CD1-CD1 4.46Å; F619-F627 AromaticContact CD1-CE1 3.49Å; F619-F627 HydrophobicContact CD1-CE1 3.49Å; F619-F627 VanDerWaalsContact CD1-CE1 3.49Å; F619-F627 HydrophobicContact CD1-CE2 4.11Å; F619-F627 AromaticContact CD1-CZ 3.27Å; F619-F627 HydrophobicContact CD1-CZ 3.27Å; F619-F627 AromaticContact CE1-CE1 3.77Å; F619-F627 HydrophobicContact CE1-CE1 3.77Å; F619-F627 AromaticContact CE1-CZ 3.88Å; F619-F627 HydrophobicContact CE1-CZ 3.88Å; F619-F627 HydrophobicContact CG-CE1 4.44Å; F619-F627 HydrophobicContact CG-CE2 4.37Å; F619-F627 AromaticContact CG-CZ 3.8Å; F619-F627 HydrophobicContact CG-CZ 3.8Å; F619-I628 CarbonylContact C-O 3.57Å; F619-I628 WeakPolarHBondContact CA-O 3.31Å; F619-Q629 HydrophobicContact CD1-CB 3.74Å; F619-Q629 HydrophobicContact CD1-CG 3.86Å; F619-Q629 HydrophobicContact CE1-CB 3.58Å; F619-Q629 HydrophobicContact CE1-CG 3.45Å; F619-Q629 VanDerWaalsContact CE1-CG 3.45Å; F619-Q629 HydrophobicContact CE2-CG 4.41Å; F619-Q629 HydrophobicContact CZ-CB 4.4Å; F619-Q629 HydrophobicContact CZ-CG 3.77Å; F619-F671 HydrophobicContact CB-CE2 4.2Å; F619-F671 HydrophobicContact CB-CZ 4.02Å; F619-F673 HydrophobicContact CB-CE2 4.3Å; F619-F673 HydrophobicContact CB-CZ 3.74Å; F619-F673 HydrophobicContact CD1-CZ 4.31Å; F619-F673 AromaticContact CD2-CE1 3.99Å; F619-F673 HydrophobicContact CD2-CE1 3.99Å; F619-F673 AromaticContact CD2-CE2 3.78Å; F619-F673 HydrophobicContact CD2-CE2 3.78Å; F619-F673 AromaticContact CD2-CZ 3.24Å; F619-F673 HydrophobicContact CD2-CZ 3.24Å; F619-F673 HydrophobicContact CE2-CE1 4.1Å; F619-F673 HydrophobicContact CE2-CE2 4.45Å; F619-F673 AromaticContact CE2-CZ 3.8Å; F619-F673 HydrophobicContact CE2-CZ 3.8Å; F619-F673 HydrophobicContact CG-CE1 4.32Å; F619-F673 HydrophobicContact CG-CE2 4.31Å; F619-F673 AromaticContact CG-CZ 3.52Å; F619-F673 HydrophobicContact CG-CZ 3.52Å; F619-L693 HydrophobicContact CE1-CD2 4.03Å; F619-L693 HydrophobicContact CZ-CD1 4.1Å; F619-L693 HydrophobicContact CZ-CD2 4.1Å
620	S	96.8	Very high	93.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	152.5	176.4	68.7	0	0	0	0	113.2	I585 H602 S608 F627 I628 W630	I585-S620 VanDerWaalsContact CD1-CB 3.43Å; H602-S620 WeakPolarHBondContact NE2-CB 3.29Å; H602-S620 PolarHBondContact NE2-OG 3.41Å; S608-S620 WeakPolarHBondContact O-CA 3.39Å; S620-F627 WeakPolarHBondContact O-CA 3.47Å; S620-I628 PolarHBondContact N-O 3.35Å; S620-I628 PolarHBondContact O-N 2.83Å; S620-W630 PolarHBondContact OG-NE1 3.11Å
621	V	96.6	Very high	93.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.7	170	72.1	0	0	0	0	110.6	Y607 S608 K626 L644 T649 L670 F671	Y607-V621 PolarHBondContact N-O 3.2Å; S608-V621 PolarHBondContact N-O 2.86Å; S608-V621 PolarHBondContact O-N 3.03Å; V621-K626 WeakPolarHBondContact CA-O 3.4Å; V621-K626 WeakPolarHBondContact CG2-O 3.45Å; V621-L644 HydrophobicContact CG2-CD1 3.96Å; V621-T649 HydrophobicContact CG2-CG2 3.58Å; V621-L670 HydrophobicContact CG1-CB 3.94Å; V621-L670 HydrophobicContact CG1-CD1 3.94Å; V621-F671 HydrophobicContact CB-CD1 4.09Å; V621-F671 HydrophobicContact CB-CE1 4.04Å; V621-F671 HydrophobicContact CG1-CD1 3.69Å; V621-F671 HydrophobicContact CG1-CE1 3.73Å
622	G	95.2	Very high	93.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	-174.2	-178.6	0	0	0	0	0	114.2	H602 E605 D624 R625	H602-G622 PolarHBondContact CE1-N 3.03Å; E605-G622 CarbonylContact O-C 3.51Å; E605-G622 WeakPolarHBondContact O-CA 3.24Å; G622-D624 VanDerWaalsContact C-N 3.26Å; G622-D624 PolarHBondContact O-N 2.9Å; G622-R625 PolarHBondContact O-N 3.23Å
623	E	93.9	Very high	93	Very high	104 Å²	104	42.1 Å²	42.1	49%	0.486	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.4	-176.2	-174.3	170.9	-164.8	0	0	114	G604 E605 Y607 R625	G604-E623 WeakPolarHBondContact CA-OE2 3.25Å; E605-E623 PolarHBondContact N-OE2 2.84Å; E605-E623 PolarHBondContact O-N 2.71Å; Y607-E623 HydrophobicContact CE2-CB 4.05Å; E623-R625 PolarHBondContact O-N 3.46Å
624	D	93.9	Very high	92.9	Very high	31 Å²	31	42.2 Å²	42.2	17%	0.166	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-2.1	172.2	64.4	13	0	0	0	114.4	H602 D603 G622 K626	H602-D624 VanDerWaalsContact CA-OD2 3.27Å; H602-D624 WeakPolarHBondContact CA-OD2 3.3Å; H602-D624 WeakPolarHBondContact CB-OD2 3.34Å; H602-D624 IonicContact CE1-OD1 2.64Å; H602-D624 IonicContact CG-OD1 2.78Å; H602-D624 IonicContact CG-OD2 2.69Å; H602-D624 IonicContact ND1-OD1 2.96Å; H602-D624 PolarHBondContact ND1-OD1 2.92Å; H602-D624 IonicContact ND1-OD2 3.11Å; H602-D624 PolarHBondContact ND1-OD2 2.95Å; D603-D624 HydrophobicContact CB-CB 4.4Å; D603-D624 PolarHBondContact N-OD2 3.15Å; G622-D624 VanDerWaalsContact C-N 3.26Å; G622-D624 PolarHBondContact O-N 2.9Å; D624-K626 HydrophobicContact CB-CD 4.48Å; D624-K626 HydrophobicContact CB-CG 4.37Å; D624-K626 PolarHBondContact O-N 2.86Å; D624-K626 VanDerWaalsContact OD1-CB 3.29Å; D624-K626 WeakPolarHBondContact OD1-CB 3.28Å; D624-K626 WeakPolarHBondContact OD1-CG 3.44Å; D624-K626 PolarHBondContact OD1-N 3.23Å
625	R	93.3	Very high	92.7	Very high	103 Å²	103	40.8 Å²	40.8	39%	0.389	19%	0.188	S	C	.	.			trans	68.1	17.6	180	-44.9	175.3	-70.7	-173.4	-1.4	113.9	G622 E623 L644 T649	G622-R625 PolarHBondContact O-N 3.23Å; E623-R625 PolarHBondContact O-N 3.46Å; R625-L644 PolarHBondContact O-N 3.3Å; R625-T649 WeakPolarHBondContact CG-OG1 3.28Å
626	K	94.3	Very high	92.3	Very high	58 Å²	58	40.5 Å²	40.5	25%	0.252	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	139.6	179.8	-58.8	179.2	177.5	-168.5	0	111.2	H602 V621 D624 I628 E641 Q642	H602-K626 PolarHBondContact CE1-O 3.13Å; H602-K626 VanDerWaalsContact CE1-O 3.23Å; V621-K626 WeakPolarHBondContact CA-O 3.4Å; V621-K626 WeakPolarHBondContact CG2-O 3.45Å; D624-K626 HydrophobicContact CB-CD 4.48Å; D624-K626 HydrophobicContact CB-CG 4.37Å; D624-K626 PolarHBondContact O-N 2.86Å; D624-K626 VanDerWaalsContact OD1-CB 3.29Å; D624-K626 WeakPolarHBondContact OD1-CB 3.28Å; D624-K626 WeakPolarHBondContact OD1-CG 3.44Å; D624-K626 PolarHBondContact OD1-N 3.23Å; K626-I628 HydrophobicContact CB-CD1 3.84Å; K626-I628 HydrophobicContact CB-CG1 3.75Å; K626-I628 HydrophobicContact CD-CD1 4.12Å; K626-E641 HydrophobicContact CD-CG 4.29Å; K626-E641 VanDerWaalsContact CD-OE1 3.29Å; K626-E641 WeakPolarHBondContact CD-OE1 3.32Å; K626-E641 VanDerWaalsContact CE-OE1 3.29Å; K626-E641 WeakPolarHBondContact CE-OE1 3.44Å; K626-E641 IonicContact NZ-OE1 2.66Å; K626-E641 PolarHBondContact NZ-OE1 2.98Å; K626-Q642 CarbonylContact C-O 3.59Å; K626-Q642 VanDerWaalsContact CA-O 3.22Å; K626-Q642 WeakPolarHBondContact CA-O 3.28Å
627	F	94.9	Very high	92.2	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.013	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.7	161.1	-177.4	-106.3	0	0	0	107.6	F619 S620 Q642 L644 F671 F673 V680 L693 L700	F619-F627 HydrophobicContact CB-CE2 4.01Å; F619-F627 HydrophobicContact CB-CZ 3.95Å; F619-F627 HydrophobicContact CD1-CD1 4.46Å; F619-F627 AromaticContact CD1-CE1 3.49Å; F619-F627 HydrophobicContact CD1-CE1 3.49Å; F619-F627 VanDerWaalsContact CD1-CE1 3.49Å; F619-F627 HydrophobicContact CD1-CE2 4.11Å; F619-F627 AromaticContact CD1-CZ 3.27Å; F619-F627 HydrophobicContact CD1-CZ 3.27Å; F619-F627 AromaticContact CE1-CE1 3.77Å; F619-F627 HydrophobicContact CE1-CE1 3.77Å; F619-F627 AromaticContact CE1-CZ 3.88Å; F619-F627 HydrophobicContact CE1-CZ 3.88Å; F619-F627 HydrophobicContact CG-CE1 4.44Å; F619-F627 HydrophobicContact CG-CE2 4.37Å; F619-F627 AromaticContact CG-CZ 3.8Å; F619-F627 HydrophobicContact CG-CZ 3.8Å; S620-F627 WeakPolarHBondContact O-CA 3.47Å; F627-Q642 PolarHBondContact N-O 2.86Å; F627-Q642 PolarHBondContact O-N 2.76Å; F627-L644 HydrophobicContact CB-CD1 3.98Å; F627-L644 HydrophobicContact CB-CD2 4.22Å; F627-L644 HydrophobicContact CB-CG 3.89Å; F627-F671 HydrophobicContact CD2-CD1 4.13Å; F627-F671 HydrophobicContact CD2-CE1 4.27Å; F627-F671 AromaticContact CE2-CD1 3.86Å; F627-F671 HydrophobicContact CE2-CD1 3.86Å; F627-F671 HydrophobicContact CE2-CD2 4.14Å; F627-F671 AromaticContact CE2-CE1 3.95Å; F627-F671 HydrophobicContact CE2-CE1 3.95Å; F627-F671 HydrophobicContact CE2-CE2 4.23Å; F627-F671 AromaticContact CE2-CG 3.97Å; F627-F671 HydrophobicContact CE2-CG 3.97Å; F627-F671 HydrophobicContact CE2-CZ 4.14Å; F627-F673 HydrophobicContact CZ-CE1 4.18Å; F627-F673 HydrophobicContact CZ-CZ 4.15Å; F627-V680 HydrophobicContact CE2-CG2 4.41Å; F627-V680 HydrophobicContact CZ-CG2 4.2Å; F627-L693 HydrophobicContact CE1-CD2 4.05Å; F627-L693 HydrophobicContact CZ-CD2 4.49Å; F627-L700 HydrophobicContact CD1-CD1 4.08Å
628	I	94.6	Very high	92.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.3	-170.9	-48	-179.6	0	0	0	110.1	F619 S620 K626 W630 K638 S640 E641	F619-I628 CarbonylContact C-O 3.57Å; F619-I628 WeakPolarHBondContact CA-O 3.31Å; S620-I628 PolarHBondContact N-O 3.35Å; S620-I628 PolarHBondContact O-N 2.83Å; K626-I628 HydrophobicContact CB-CD1 3.84Å; K626-I628 HydrophobicContact CB-CG1 3.75Å; K626-I628 HydrophobicContact CD-CD1 4.12Å; I628-W630 HydrophobicContact CB-CZ2 3.98Å; I628-W630 HydrophobicContact CD1-CZ2 3.9Å; I628-W630 HydrophobicContact CG2-CD2 4.03Å; I628-W630 VanDerWaalsContact CG2-CE2 3.43Å; I628-W630 HydrophobicContact CG2-CH2 4.16Å; I628-W630 HydrophobicContact CG2-CZ2 3.49Å; I628-W630 VanDerWaalsContact CG2-CZ2 3.49Å; I628-K638 HydrophobicContact CG2-CB 4.36Å; I628-K638 HydrophobicContact CG2-CD 3.91Å; I628-K638 HydrophobicContact CG2-CG 3.79Å; I628-S640 WeakPolarHBondContact CA-O 3.34Å; I628-S640 WeakPolarHBondContact CG2-O 3.41Å; I628-E641 HydrophobicContact CD1-CG 4.39Å; I628-E641 HydrophobicContact CG1-CB 4.42Å; I628-E641 HydrophobicContact CG1-CG 4.19Å; I628-E641 HydrophobicContact CG2-CB 4.39Å
629	Q	94.1	Very high	91.8	Very high	20 Å²	20	49.4 Å²	49.4	9%	0.093	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.5	174.4	-169.6	-178.5	14.1	0	0	110.2	T617 V618 F619 K638 Q639 S640	T617-Q629 HydrophobicContact CG2-CG 3.96Å; T617-Q629 PolarHBondContact OG1-NE2 2.91Å; T617-Q629 VanDerWaalsContact OG1-NE2 3.15Å; V618-Q629 CarbonylContact O-C 3.55Å; V618-Q629 WeakPolarHBondContact O-CA 3.14Å; F619-Q629 HydrophobicContact CD1-CB 3.74Å; F619-Q629 HydrophobicContact CD1-CG 3.86Å; F619-Q629 HydrophobicContact CE1-CB 3.58Å; F619-Q629 HydrophobicContact CE1-CG 3.45Å; F619-Q629 VanDerWaalsContact CE1-CG 3.45Å; F619-Q629 HydrophobicContact CE2-CG 4.41Å; F619-Q629 HydrophobicContact CZ-CB 4.4Å; F619-Q629 HydrophobicContact CZ-CG 3.77Å; Q629-K638 CarbonylContact O-C 3.56Å; Q629-K638 WeakPolarHBondContact O-CA 3.38Å; Q629-Q639 HydrophobicContact CB-CB 4.42Å; Q629-Q639 HydrophobicContact CG-CB 4.31Å; Q629-Q639 PolarHBondContact O-N 2.88Å; Q629-S640 WeakPolarHBondContact CB-OG 3.24Å; Q629-S640 PolarHBondContact N-O 3.44Å; Q629-S640 PolarHBondContact OE1-OG 3.36Å
630	W	94.1	Very high	91.5	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.8	-174.7	-53.9	93.2	0	0	0	110.9	W599 A601 T617 V618 S620 I628 G636 K638	W599-W630 AromaticContact CD1-CD2 3.91Å; W599-W630 AromaticContact CD1-CE3 3.59Å; W599-W630 AromaticContact CD1-CH2 3.84Å; W599-W630 AromaticContact CD1-CZ3 3.53Å; W599-W630 HydrophobicContact CZ2-CB 3.83Å; W599-W630 HydrophobicContact CZ2-CD2 4.43Å; W599-W630 AromaticContact CZ2-CG 3.94Å; W599-W630 HydrophobicContact CZ2-CG 3.94Å; W599-W630 AromaticContact NE1-CD2 3.15Å; W599-W630 AromaticContact NE1-CE2 3.5Å; W599-W630 AromaticContact NE1-CE3 3.28Å; W599-W630 VanDerWaalsContact NE1-CE3 3.28Å; W599-W630 AromaticContact NE1-CG 3.58Å; W599-W630 AromaticContact NE1-CH2 3.99Å; W599-W630 AromaticContact NE1-CZ2 3.93Å; W599-W630 AromaticContact NE1-CZ3 3.69Å; A601-W630 HydrophobicContact CB-CH2 4.13Å; A601-W630 HydrophobicContact CB-CZ2 3.49Å; A601-W630 VanDerWaalsContact CB-CZ2 3.49Å; A601-W630 WeakPolarHBondContact O-CZ2 3.44Å; T617-W630 CarbonylContact C-O 3.26Å; T617-W630 WeakPolarHBondContact CA-O 3.33Å; T617-W630 WeakPolarHBondContact CB-O 3.4Å; V618-W630 PolarHBondContact N-O 3.49Å; V618-W630 PolarHBondContact O-N 2.75Å; S620-W630 PolarHBondContact OG-NE1 3.11Å; I628-W630 HydrophobicContact CB-CZ2 3.98Å; I628-W630 HydrophobicContact CD1-CZ2 3.9Å; I628-W630 HydrophobicContact CG2-CD2 4.03Å; I628-W630 VanDerWaalsContact CG2-CE2 3.43Å; I628-W630 HydrophobicContact CG2-CH2 4.16Å; I628-W630 HydrophobicContact CG2-CZ2 3.49Å; I628-W630 VanDerWaalsContact CG2-CZ2 3.49Å; W630-G636 WeakPolarHBondContact CZ3-O 3.46Å; W630-K638 HydrophobicContact CD2-CG 4.42Å; W630-K638 HydrophobicContact CE3-CG 3.72Å; W630-K638 HydrophobicContact CH2-CD 4.08Å; W630-K638 HydrophobicContact CH2-CG 3.76Å; W630-K638 HydrophobicContact CZ2-CG 4.4Å; W630-K638 HydrophobicContact CZ3-CD 4.14Å; W630-K638 HydrophobicContact CZ3-CG 3.36Å
631	N	91.8	Very high	91.3	Very high	34 Å²	34	53.9 Å²	53.9	18%	0.182	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	118.9	174.9	-171.8	-71.7	0	0	0	110.9	H633 R634 V637 Q639	N631-H633 PolarHBondContact O-N 2.58Å; N631-H633 WeakPolarHBondContact OD1-CA 3.32Å; N631-H633 WeakPolarHBondContact OD1-CB 3.47Å; N631-H633 PolarHBondContact OD1-N 2.85Å; N631-R634 HydrophobicContact CB-CB 4.44Å; N631-R634 CarbonylContact O-C 3.53Å; N631-R634 PolarHBondContact O-N 2.96Å; N631-R634 VanDerWaalsContact O-O 3.1Å; N631-R634 PolarHBondContact OD1-N 3.3Å; N631-R634 VanDerWaalsContact OD1-N 3.12Å; N631-V637 HydrophobicContact CB-CB 4.45Å; N631-V637 PolarHBondContact N-O 2.73Å; N631-Q639 HydrophobicContact CB-CG 4.15Å; N631-Q639 PolarHBondContact ND2-NE2 2.97Å
632	I	91.1	Very high	91	Very high	14 Å²	14	55.2 Å²	55.2	7%	0.072	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.5	-177.8	69.6	150.9	0	0	0	113.5	L575 M597 F611 E615 N616 V618 R634	L575-I632 HydrophobicContact CD1-CD1 4.31Å; M597-I632 WeakPolarHBondContact CE-O 3.39Å; M597-I632 VanDerWaalsContact SD-O 3.33Å; F611-I632 HydrophobicContact CE1-CG2 4.43Å; E615-I632 WeakPolarHBondContact O-CD1 3.45Å; E615-I632 WeakPolarHBondContact O-CG1 3.39Å; N616-I632 PolarHBondContact O-N 3.38Å; N616-I632 VanDerWaalsContact O-N 3.1Å; V618-I632 HydrophobicContact CG2-CG2 3.8Å; I632-R634 VanDerWaalsContact C-N 3.31Å
633	H	88.4	Confident	90.8	Very high	137 Å²	137	60.1 Å²	60.1	63%	0.634	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.6	178.3	-51.1	-67.7	0	0	0	112.4	N616 N631	N616-H633 WeakPolarHBondContact CA-NE2 3.08Å; N616-H633 VanDerWaalsContact CB-NE2 3.33Å; N616-H633 WeakPolarHBondContact CB-NE2 3.39Å; N616-H633 PolarHBondContact OD1-NE2 3.43Å; N631-H633 PolarHBondContact O-N 2.58Å; N631-H633 WeakPolarHBondContact OD1-CA 3.32Å; N631-H633 WeakPolarHBondContact OD1-CB 3.47Å; N631-H633 PolarHBondContact OD1-N 2.85Å
634	R	85.8	Confident	90.6	Very high	177 Å²	177	55.6 Å²	55.6	67%	0.668	28%	0.277	S	S	*	.	S	Bend	trans	-143.2	88.4	179.8	-63.6	-172	-179.3	-174.9	1.4	110.7	N631 I632 G636 V637	N631-R634 HydrophobicContact CB-CB 4.44Å; N631-R634 CarbonylContact O-C 3.53Å; N631-R634 PolarHBondContact O-N 2.96Å; N631-R634 VanDerWaalsContact O-O 3.1Å; N631-R634 PolarHBondContact OD1-N 3.3Å; N631-R634 VanDerWaalsContact OD1-N 3.12Å; I632-R634 VanDerWaalsContact C-N 3.31Å; R634-G636 PolarHBondContact O-N 2.94Å; R634-V637 HydrophobicContact CB-CB 3.96Å; R634-V637 HydrophobicContact CB-CG2 3.64Å; R634-V637 WeakPolarHBondContact O-CB 3.27Å; R634-V637 WeakPolarHBondContact O-CG2 3.45Å; R634-V637 PolarHBondContact O-N 3.13Å
635	C	84.1	Confident	90.4	Very high	60 Å²	60	56 Å²	56	41%	0.405	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-37.8	126.3	176.6	-171.3	0	0	0	0	113.2	M597 S598 V637	M597-C635 HydrophobicContact CB-CB 4.31Å; M597-C635 HydrophobicContact CG-CB 4.3Å; M597-C635 HydrophobicContact SD-CB 3.73Å; S598-C635 PolarHBondContact O-SG 2.89Å; C635-V637 PolarHBondContact O-N 2.92Å
636	G	80.8	Confident	90.1	Very high	34 Å²	34	56.5 Å²	56.5	35%	0.351	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	-0.9	177.9	0	0	0	0	0	116.5	W630 R634 K638	W630-G636 WeakPolarHBondContact CZ3-O 3.46Å; R634-G636 PolarHBondContact O-N 2.94Å; G636-K638 PolarHBondContact O-N 2.86Å
637	V	90.2	Very high	89.9	Confident	69 Å²	69	55.8 Å²	55.8	42%	0.418	29%	0.287	S	S	.	.			trans	-81.4	110	176.5	179.1	0	0	0	0	110.4	N631 R634 C635	N631-V637 HydrophobicContact CB-CB 4.45Å; N631-V637 PolarHBondContact N-O 2.73Å; R634-V637 HydrophobicContact CB-CB 3.96Å; R634-V637 HydrophobicContact CB-CG2 3.64Å; R634-V637 WeakPolarHBondContact O-CB 3.27Å; R634-V637 WeakPolarHBondContact O-CG2 3.45Å; R634-V637 PolarHBondContact O-N 3.13Å; C635-V637 PolarHBondContact O-N 2.92Å
638	K	90.9	Very high	89.7	Confident	85 Å²	85	55.7 Å²	55.7	37%	0.37	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.3	169.9	-61.2	-179.3	174.5	178.8	0	110.3	I628 Q629 W630 G636 E641	I628-K638 HydrophobicContact CG2-CB 4.36Å; I628-K638 HydrophobicContact CG2-CD 3.91Å; I628-K638 HydrophobicContact CG2-CG 3.79Å; Q629-K638 CarbonylContact O-C 3.56Å; Q629-K638 WeakPolarHBondContact O-CA 3.38Å; W630-K638 HydrophobicContact CD2-CG 4.42Å; W630-K638 HydrophobicContact CE3-CG 3.72Å; W630-K638 HydrophobicContact CH2-CD 4.08Å; W630-K638 HydrophobicContact CH2-CG 3.76Å; W630-K638 HydrophobicContact CZ2-CG 4.4Å; W630-K638 HydrophobicContact CZ3-CD 4.14Å; W630-K638 HydrophobicContact CZ3-CG 3.36Å; G636-K638 PolarHBondContact O-N 2.86Å; K638-E641 HydrophobicContact CD-CB 4.39Å; K638-E641 WeakPolarHBondContact CD-OE2 3.45Å; K638-E641 WeakPolarHBondContact CE-OE2 3.33Å; K638-E641 IonicContact NZ-OE2 3.83Å; K638-E641 PolarHBondContact NZ-OE2 3.09Å
639	Q	88.3	Confident	89.4	Confident	97 Å²	97	55.9 Å²	55.9	45%	0.453	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-41.5	167.7	-59.3	-160.4	22.3	0	0	111.2	T617 Q629 N631	T617-Q639 HydrophobicContact CG2-CG 4.49Å; Q629-Q639 HydrophobicContact CB-CB 4.42Å; Q629-Q639 HydrophobicContact CG-CB 4.31Å; Q629-Q639 PolarHBondContact O-N 2.88Å; N631-Q639 HydrophobicContact CB-CG 4.15Å; N631-Q639 PolarHBondContact ND2-NE2 2.97Å
640	S	88.9	Confident	89.1	Confident	26 Å²	26	55.3 Å²	55.3	18%	0.182	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	147.1	173.4	61.7	0	0	0	0	110.2	I628 Q629	I628-S640 WeakPolarHBondContact CA-O 3.34Å; I628-S640 WeakPolarHBondContact CG2-O 3.41Å; Q629-S640 WeakPolarHBondContact CB-OG 3.24Å; Q629-S640 PolarHBondContact N-O 3.44Å; Q629-S640 PolarHBondContact OE1-OG 3.36Å
641	E	91.4	Very high	88.8	Confident	76 Å²	76	58.6 Å²	58.6	36%	0.355	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	125.3	174.9	167.8	174	165.8	0	0	107.8	K626 I628 K638	K626-E641 HydrophobicContact CD-CG 4.29Å; K626-E641 VanDerWaalsContact CD-OE1 3.29Å; K626-E641 WeakPolarHBondContact CD-OE1 3.32Å; K626-E641 VanDerWaalsContact CE-OE1 3.29Å; K626-E641 WeakPolarHBondContact CE-OE1 3.44Å; K626-E641 IonicContact NZ-OE1 2.66Å; K626-E641 PolarHBondContact NZ-OE1 2.98Å; I628-E641 HydrophobicContact CD1-CG 4.39Å; I628-E641 HydrophobicContact CG1-CB 4.42Å; I628-E641 HydrophobicContact CG1-CG 4.19Å; I628-E641 HydrophobicContact CG2-CB 4.39Å; K638-E641 HydrophobicContact CD-CB 4.39Å; K638-E641 WeakPolarHBondContact CD-OE2 3.45Å; K638-E641 WeakPolarHBondContact CE-OE2 3.33Å; K638-E641 IonicContact NZ-OE2 3.83Å; K638-E641 PolarHBondContact NZ-OE2 3.09Å
642	Q	90.1	Very high	88.8	Confident	28 Å²	28	57.2 Å²	57.2	13%	0.131	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	151.5	-178.4	-60.6	-159.9	29.7	0	0	111.6	K626 F627 P698 A699 L700	K626-Q642 CarbonylContact C-O 3.59Å; K626-Q642 VanDerWaalsContact CA-O 3.22Å; K626-Q642 WeakPolarHBondContact CA-O 3.28Å; F627-Q642 PolarHBondContact N-O 2.86Å; F627-Q642 PolarHBondContact O-N 2.76Å; Q642-P698 WeakPolarHBondContact CG-O 3.13Å; Q642-P698 VanDerWaalsContact NE2-C 3.31Å; Q642-P698 PolarHBondContact NE2-O 3.26Å; Q642-P698 PolarHBondContact OE1-O 3.27Å; Q642-A699 VanDerWaalsContact NE2-C 3.35Å; Q642-L700 HydrophobicContact CB-CD1 4.38Å; Q642-L700 VanDerWaalsContact CD-N 3.3Å; Q642-L700 VanDerWaalsContact NE2-N 3.12Å; Q642-L700 VanDerWaalsContact OE1-CB 3.28Å; Q642-L700 VanDerWaalsContact OE1-CG 3.26Å
643	V	91.1	Very high	88.9	Confident	102 Å²	102	59.6 Å²	59.6	62%	0.618	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.7	178.9	-177.1	0	0	0	0	109.2
644	L	90.3	Very high	88.9	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.052	30%	0.3	C	S	.	.			trans	-74.8	152.4	172.3	-65.8	-178.1	0	0	0	110.4	V621 R625 F627 A648 T649 T682 L700	V621-L644 HydrophobicContact CG2-CD1 3.96Å; R625-L644 PolarHBondContact O-N 3.3Å; F627-L644 HydrophobicContact CB-CD1 3.98Å; F627-L644 HydrophobicContact CB-CD2 4.22Å; F627-L644 HydrophobicContact CB-CG 3.89Å; L644-A648 HydrophobicContact CB-CB 4.06Å; L644-A648 HydrophobicContact CD1-CB 4.21Å; L644-T649 HydrophobicContact CD1-CG2 4.45Å; L644-T682 HydrophobicContact CD1-CG2 4.42Å; L644-T682 HydrophobicContact CD2-CG2 4.48Å; L644-L700 HydrophobicContact CD2-CD1 4.05Å
645	P	89.7	Confident	89	Confident	38 Å²	38	50.5 Å²	50.5	25%	0.247	29%	0.291	C	S	.	.			trans	-65.6	150.8	172.1	32.3	-37.1	0	0	0	110.2	D647 A648	P645-D647 VanDerWaalsContact CB-OD1 3.29Å; P645-D647 WeakPolarHBondContact CB-OD1 3.27Å; P645-D647 WeakPolarHBondContact CG-OD1 3.42Å; P645-D647 PolarHBondContact O-N 2.83Å; P645-D647 VanDerWaalsContact O-N 3.09Å; P645-A648 HydrophobicContact CG-CB 4.42Å; P645-A648 WeakPolarHBondContact O-CB 3.42Å; P645-A648 PolarHBondContact O-N 2.91Å
646	Q	87.9	Confident	88.9	Confident	115 Å²	115	49.3 Å²	49.3	54%	0.537	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-24.1	-170.6	-177	172.4	-4.8	0	0	113.8	A648 T649 G650	Q646-A648 PolarHBondContact O-N 2.93Å; Q646-T649 PolarHBondContact O-N 2.78Å; Q646-G650 WeakPolarHBondContact O-CA 3.44Å; Q646-G650 PolarHBondContact O-N 3.11Å
647	D	89.7	Confident	88.8	Confident	43 Å²	43	59.9 Å²	59.9	23%	0.23	32%	0.32	C	S	.	.	H	α-helix	trans	-76.8	-4.7	175.7	65.2	-34.2	0	0	0	114.1	P645 S684 S685	P645-D647 VanDerWaalsContact CB-OD1 3.29Å; P645-D647 WeakPolarHBondContact CB-OD1 3.27Å; P645-D647 WeakPolarHBondContact CG-OD1 3.42Å; P645-D647 PolarHBondContact O-N 2.83Å; P645-D647 VanDerWaalsContact O-N 3.09Å; D647-S684 WeakPolarHBondContact O-CA 3.4Å; D647-S684 WeakPolarHBondContact OD2-CA 3.44Å; D647-S684 WeakPolarHBondContact OD2-CB 3.39Å; D647-S684 PolarHBondContact OD2-OG 2.8Å; D647-S685 WeakPolarHBondContact OD2-CB 3.3Å; D647-S685 PolarHBondContact OD2-N 3.44Å; D647-S685 PolarHBondContact OD2-OG 2.83Å
648	A	90.1	Very high	88.5	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-86.8	-28	170.2	0	0	0	0	0	113.4	L644 P645 Q646 C683	L644-A648 HydrophobicContact CB-CB 4.06Å; L644-A648 HydrophobicContact CD1-CB 4.21Å; P645-A648 HydrophobicContact CG-CB 4.42Å; P645-A648 WeakPolarHBondContact O-CB 3.42Å; P645-A648 PolarHBondContact O-N 2.91Å; Q646-A648 PolarHBondContact O-N 2.93Å; A648-C683 WeakPolarHBondContact CA-O 3.3Å; A648-C683 VanDerWaalsContact CB-O 3.31Å; A648-C683 WeakPolarHBondContact CB-O 3.36Å
649	T	89.2	Confident	88	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.018	35%	0.347	C	S	.	.	H	α-helix	trans	-116.9	-14.5	-176	59.3	0	0	0	0	114	V621 R625 L644 Q646 P666 L670	V621-T649 HydrophobicContact CG2-CG2 3.58Å; R625-T649 WeakPolarHBondContact CG-OG1 3.28Å; L644-T649 HydrophobicContact CD1-CG2 4.45Å; Q646-T649 PolarHBondContact O-N 2.78Å; T649-P666 WeakPolarHBondContact O-CG 3.27Å; T649-L670 HydrophobicContact CG2-CD1 4.45Å
650	G	86.2	Confident	87.9	Confident	8 Å²	8	64 Å²	64	8%	0.082	36%	0.357	C	S	.	.			trans	78.7	-157.9	-179.5	0	0	0	0	0	114.2	Q646	Q646-G650 WeakPolarHBondContact O-CA 3.44Å; Q646-G650 PolarHBondContact O-N 3.11Å
651	P	88.9	Confident	87.8	Confident	74 Å²	74	68.9 Å²	68.9	48%	0.481	38%	0.375	S	S	.	.			cis	-56.9	136.6	-0.3	-24.8	34.7	0	0	0	112.6	V663	P651-V663 HydrophobicContact CB-CG1 4Å
652	F	92.2	Very high	87.6	Confident	4 Å²	4	68 Å²	68	2%	0.018	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	128.6	-177.9	-52.2	-72.7	0	0	0	109.6	V663 Q664 P666 L670 C683 P712 V713 V714 M732	F652-V663 CarbonylContact O-C 3.51Å; F652-V663 WeakPolarHBondContact O-CA 3.48Å; F652-Q664 HydrophobicContact CB-CB 4.46Å; F652-Q664 WeakPolarHBondContact CD2-O 3.42Å; F652-Q664 PolarHBondContact N-O 2.79Å; F652-Q664 PolarHBondContact O-N 3.47Å; F652-P666 HydrophobicContact CE2-CG 3.91Å; F652-L670 HydrophobicContact CE2-CD2 4.04Å; F652-L670 HydrophobicContact CZ-CD2 3.69Å; F652-C683 HydrophobicContact CE1-CB 4.41Å; F652-P712 HydrophobicContact CB-CB 4.43Å; F652-P712 HydrophobicContact CD1-CB 4.31Å; F652-V713 VanDerWaalsContact CE1-O 3.3Å; F652-V713 WeakPolarHBondContact CE1-O 3.42Å; F652-V714 HydrophobicContact CB-CG1 3.69Å; F652-V714 HydrophobicContact CD1-CG1 4.05Å; F652-V714 HydrophobicContact CD2-CB 3.85Å; F652-V714 HydrophobicContact CD2-CG1 3.63Å; F652-V714 HydrophobicContact CE2-CB 4.01Å; F652-V714 HydrophobicContact CE2-CG1 4.24Å; F652-V714 HydrophobicContact CG-CB 4.21Å; F652-V714 HydrophobicContact CG-CG1 3.52Å; F652-M732 HydrophobicContact CB-CE 4.45Å; F652-M732 HydrophobicContact CB-CG 4.46Å; F652-M732 HydrophobicContact CB-SD 3.63Å
653	V	91.8	Very high	87.7	Confident	65 Å²	65	71.1 Å²	71.1	39%	0.394	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.9	-174.5	-174.5	0	0	0	0	110.8	K661 Q662 V663	V653-K661 HydrophobicContact CG1-CB 4.26Å; V653-K661 HydrophobicContact CG1-CD 4.2Å; V653-Q662 WeakPolarHBondContact CA-O 3.26Å; V653-V663 HydrophobicContact CG1-CG2 4.4Å; V653-V663 HydrophobicContact CG2-CG1 4.35Å; V653-V663 HydrophobicContact CG2-CG2 4.23Å
654	L	89.5	Confident	87.6	Confident	53 Å²	53	66.9 Å²	66.9	28%	0.277	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.4	170.8	-177.5	60.7	0	0	0	109	K661 Q662 A711 M732	L654-K661 WeakPolarHBondContact O-CA 3.4Å; L654-Q662 HydrophobicContact CB-CB 4.47Å; L654-Q662 PolarHBondContact N-O 2.93Å; L654-Q662 PolarHBondContact O-N 2.9Å; L654-A711 HydrophobicContact CD1-CB 3.9Å; L654-A711 HydrophobicContact CD2-CB 4.24Å; L654-M732 HydrophobicContact CB-CB 4.17Å; L654-M732 HydrophobicContact CB-CE 3.84Å; L654-M732 HydrophobicContact CB-SD 3.83Å; L654-M732 HydrophobicContact CD2-CB 3.92Å
655	S	87.8	Confident	87.5	Confident	70 Å²	70	69.5 Å²	69.5	49%	0.49	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.9	178.6	-58.6	0	0	0	0	110.3	K661	S655-K661 WeakPolarHBondContact OG-CE 3.47Å
656	G	82.9	Confident	87.6	Confident	35 Å²	35	68.1 Å²	68.1	36%	0.361	37%	0.372	S	S	.	.			trans	-82.4	162.4	174.7	0	0	0	0	0	112.9	S658 G659 Y660	G656-S658 PolarHBondContact O-N 3.43Å; G656-G659 PolarHBondContact O-N 3.08Å; G656-Y660 PolarHBondContact N-O 3.01Å
657	Y	78.1	Confident	87.6	Confident	256 Å²	256	66.7 Å²	66.7	100%	1.004	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-20.8	-176.9	-53.8	-80.7	0	0	0	115.1
658	S	83.2	Confident	87.6	Confident	109 Å²	109	64.9 Å²	64.9	76%	0.762	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	2.5	176.1	57.2	0	0	0	0	114.4	G656 Y660	G656-S658 PolarHBondContact O-N 3.43Å; S658-Y660 PolarHBondContact O-N 3.19Å
659	G	81.1	Confident	87.8	Confident	56 Å²	56	67.8 Å²	67.8	58%	0.577	36%	0.364	S	S	*	.	S	Bend	trans	80.8	-5.6	-172.5	0	0	0	0	0	114.6	G656	G656-G659 PolarHBondContact O-N 3.08Å
660	Y	85.6	Confident	88.2	Confident	172 Å²	172	67.9 Å²	67.9	68%	0.675	36%	0.364	S	S	*	.			trans	-62.1	134.6	169.9	179.9	-94.5	0	0	0	110.5	G656 S658	G656-Y660 PolarHBondContact N-O 3.01Å; S658-Y660 PolarHBondContact O-N 3.19Å
661	K	86.9	Confident	88.6	Confident	128 Å²	128	67.6 Å²	67.6	56%	0.557	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.9	-179.1	-59.7	-169.9	177.7	-179.4	0	110.7	V653 L654 S655	V653-K661 HydrophobicContact CG1-CB 4.26Å; V653-K661 HydrophobicContact CG1-CD 4.2Å; L654-K661 WeakPolarHBondContact O-CA 3.4Å; S655-K661 WeakPolarHBondContact OG-CE 3.47Å
662	Q	87.6	Confident	88.9	Confident	59 Å²	59	64.2 Å²	64.2	28%	0.276	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	131.3	163.7	-173.8	174.7	12.8	0	0	108.2	V653 L654 M732	V653-Q662 WeakPolarHBondContact CA-O 3.26Å; L654-Q662 HydrophobicContact CB-CB 4.47Å; L654-Q662 PolarHBondContact N-O 2.93Å; L654-Q662 PolarHBondContact O-N 2.9Å; Q662-M732 HydrophobicContact CB-CE 4.19Å; Q662-M732 HydrophobicContact CG-CE 3.89Å
663	V	91.1	Very high	89	Confident	92 Å²	92	65.2 Å²	65.2	56%	0.558	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.7	177.4	-176	0	0	0	0	108.5	P651 F652 V653	P651-V663 HydrophobicContact CB-CG1 4Å; F652-V663 CarbonylContact O-C 3.51Å; F652-V663 WeakPolarHBondContact O-CA 3.48Å; V653-V663 HydrophobicContact CG1-CG2 4.4Å; V653-V663 HydrophobicContact CG2-CG1 4.35Å; V653-V663 HydrophobicContact CG2-CG2 4.23Å
664	Q	90.2	Very high	88.9	Confident	14 Å²	14	62.9 Å²	62.9	7%	0.065	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.7	179	-179.1	164.4	-39.5	0	0	110.6	S414 I415 F652 M732	S414-Q664 PolarHBondContact OG-OE1 3.44Å; I415-Q664 PolarHBondContact O-NE2 3.49Å; F652-Q664 HydrophobicContact CB-CB 4.46Å; F652-Q664 WeakPolarHBondContact CD2-O 3.42Å; F652-Q664 PolarHBondContact N-O 2.79Å; F652-Q664 PolarHBondContact O-N 3.47Å; Q664-M732 HydrophobicContact CB-CE 4.07Å
665	V	88.8	Confident	88.7	Confident	65 Å²	65	63.6 Å²	63.6	39%	0.394	34%	0.338	S	S	.	.			trans	-80	146	167.4	-178.1	0	0	0	0	108.2	Y607	Y607-V665 HydrophobicContact CE1-CG1 4.43Å
666	P	90.7	Very high	88.6	Confident	9 Å²	9	65.5 Å²	65.5	6%	0.058	34%	0.339	C	S	.	.			trans	-46.4	145.2	174.4	-33.5	38.7	0	0	0	115	Y607 T649 F652 L670	Y607-P666 HydrophobicContact CD1-CB 4.05Å; Y607-P666 HydrophobicContact CD1-CG 4.39Å; Y607-P666 HydrophobicContact CD2-CB 4.02Å; Y607-P666 HydrophobicContact CD2-CG 3.7Å; Y607-P666 HydrophobicContact CE1-CB 4.47Å; Y607-P666 HydrophobicContact CE1-CG 4.46Å; Y607-P666 HydrophobicContact CE2-CB 4.41Å; Y607-P666 HydrophobicContact CE2-CG 3.75Å; Y607-P666 HydrophobicContact CG-CB 3.81Å; Y607-P666 HydrophobicContact CG-CG 4.03Å; T649-P666 WeakPolarHBondContact O-CG 3.27Å; F652-P666 HydrophobicContact CE2-CG 3.91Å; P666-L670 HydrophobicContact CB-CD1 3.91Å; P666-L670 HydrophobicContact CB-CD2 4.01Å; P666-L670 HydrophobicContact CB-CG 4.14Å; P666-L670 HydrophobicContact CG-CD1 3.87Å; P666-L670 HydrophobicContact CG-CD2 4.12Å; P666-L670 HydrophobicContact CG-CG 4.45Å
667	R	87.8	Confident	88.7	Confident	85 Å²	85	64.9 Å²	64.9	32%	0.321	33%	0.333	S	S	.	.			trans	-148.6	-46.3	178.9	-69.4	-65.1	165.4	173.4	-13.6	112.1	H417 L503	H417-R667 PolarHBondContact CE1-O 2.75Å; L503-R667 VanDerWaalsContact CD2-NH1 3.32Å
668	G	89.9	Confident	89.2	Confident	4 Å²	4	57.2 Å²	57.2	4%	0.041	31%	0.306	C	S	.	.	S	Bend	trans	-78.2	-172.3	173.2	0	0	0	0	0	113.2	M416 L670 T715	M416-G668 VanDerWaalsContact O-CA 3.29Å; M416-G668 WeakPolarHBondContact O-CA 3.37Å; M416-G668 PolarHBondContact O-N 2.98Å; M416-G668 VanDerWaalsContact O-N 3.09Å; G668-L670 PolarHBondContact O-N 3.47Å; G668-T715 WeakPolarHBondContact CA-OG1 3.46Å
669	R	94.5	Very high	89.6	Confident	63 Å²	63	52.5 Å²	52.5	24%	0.238	27%	0.272	C	S	.	.			trans	-71.6	122.8	174.2	-85.3	178.4	-170.3	146.4	6.2	109	R419 E461 T715 V716 D717	R419-R669 VanDerWaalsContact NE-CZ 3.32Å; E461-R669 IonicContact OE1-NH2 3.77Å; E461-R669 PolarHBondContact OE1-NH2 3.08Å; E461-R669 VanDerWaalsContact OE1-NH2 3.14Å; E461-R669 IonicContact OE2-NH2 3.26Å; R669-T715 PolarHBondContact N-OG1 2.78Å; R669-T715 VanDerWaalsContact N-OG1 3.1Å; R669-T715 CarbonylContact O-C 3.48Å; R669-T715 VanDerWaalsContact O-CA 3.29Å; R669-T715 WeakPolarHBondContact O-CA 3.36Å; R669-T715 PolarHBondContact O-OG1 3.27Å; R669-V716 WeakPolarHBondContact CB-O 3.36Å; R669-V716 PolarHBondContact O-N 3.49Å; R669-D717 IonicContact CZ-OD1 2.83Å; R669-D717 IonicContact NH1-OD1 2.95Å; R669-D717 PolarHBondContact NH1-OD1 3.25Å
670	L	96.5	Very high	90.2	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	25%	0.245	C	C	.	.	S	Bend	trans	-82.2	-22.9	176	-70	-174.3	0	0	0	113.3	Y607 S608 V621 T649 F652 P666 G668 T682 C683	Y607-L670 HydrophobicContact CD2-CD1 3.8Å; Y607-L670 HydrophobicContact CG-CD1 4.13Å; S608-L670 PolarHBondContact OG-N 2.73Å; S608-L670 VanDerWaalsContact OG-N 3.15Å; V621-L670 HydrophobicContact CG1-CB 3.94Å; V621-L670 HydrophobicContact CG1-CD1 3.94Å; T649-L670 HydrophobicContact CG2-CD1 4.45Å; F652-L670 HydrophobicContact CE2-CD2 4.04Å; F652-L670 HydrophobicContact CZ-CD2 3.69Å; P666-L670 HydrophobicContact CB-CD1 3.91Å; P666-L670 HydrophobicContact CB-CD2 4.01Å; P666-L670 HydrophobicContact CB-CG 4.14Å; P666-L670 HydrophobicContact CG-CD1 3.87Å; P666-L670 HydrophobicContact CG-CD2 4.12Å; P666-L670 HydrophobicContact CG-CG 4.45Å; G668-L670 PolarHBondContact O-N 3.47Å; L670-T682 WeakPolarHBondContact O-CA 3.33Å; L670-C683 PolarHBondContact O-N 2.89Å
671	F	96.4	Very high	90.7	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	162.7	171.5	67.5	-99.3	0	0	0	111.5	E610 F619 V621 F627 F673 V680 L681 T682	E610-F671 HydrophobicContact CB-CE2 3.76Å; E610-F671 HydrophobicContact CB-CZ 4.11Å; E610-F671 WeakPolarHBondContact OE2-CE2 3.38Å; F619-F671 HydrophobicContact CB-CE2 4.2Å; F619-F671 HydrophobicContact CB-CZ 4.02Å; V621-F671 HydrophobicContact CB-CD1 4.09Å; V621-F671 HydrophobicContact CB-CE1 4.04Å; V621-F671 HydrophobicContact CG1-CD1 3.69Å; V621-F671 HydrophobicContact CG1-CE1 3.73Å; F627-F671 HydrophobicContact CD2-CD1 4.13Å; F627-F671 HydrophobicContact CD2-CE1 4.27Å; F627-F671 AromaticContact CE2-CD1 3.86Å; F627-F671 HydrophobicContact CE2-CD1 3.86Å; F627-F671 HydrophobicContact CE2-CD2 4.14Å; F627-F671 AromaticContact CE2-CE1 3.95Å; F627-F671 HydrophobicContact CE2-CE1 3.95Å; F627-F671 HydrophobicContact CE2-CE2 4.23Å; F627-F671 AromaticContact CE2-CG 3.97Å; F627-F671 HydrophobicContact CE2-CG 3.97Å; F627-F671 HydrophobicContact CE2-CZ 4.14Å; F671-F673 HydrophobicContact CD2-CE2 4.06Å; F671-F673 AromaticContact CD2-CZ 3.91Å; F671-F673 HydrophobicContact CD2-CZ 3.91Å; F671-F673 AromaticContact CE2-CE2 3.64Å; F671-F673 HydrophobicContact CE2-CE2 3.64Å; F671-F673 AromaticContact CE2-CZ 3.67Å; F671-F673 HydrophobicContact CE2-CZ 3.67Å; F671-V680 HydrophobicContact CB-CG2 3.83Å; F671-V680 HydrophobicContact CD2-CG2 4.18Å; F671-V680 HydrophobicContact CG-CG2 4.31Å; F671-L681 CarbonylContact C-O 3.51Å; F671-L681 WeakPolarHBondContact CA-O 3.27Å; F671-L681 WeakPolarHBondContact CB-O 3.2Å; F671-T682 HydrophobicContact CB-CG2 4.33Å
672	A	95.2	Very high	91.1	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.025	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	150.1	170.4	0	0	0	0	0	110.2	L681 W718	A672-L681 PolarHBondContact N-O 3.4Å; A672-L681 PolarHBondContact O-N 2.76Å; A672-W718 HydrophobicContact CB-CB 4.04Å
673	F	93.3	Very high	91.5	Very high	25 Å²	25	32.9 Å²	32.9	11%	0.11	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	159.2	-178.8	-60.2	-67.5	0	0	0	114.2	E610 F619 F627 F671 H679 V680 L693 W718	E610-F673 HydrophobicContact CB-CE2 4.06Å; E610-F673 HydrophobicContact CG-CD2 4.16Å; E610-F673 HydrophobicContact CG-CE2 4.02Å; E610-F673 VanDerWaalsContact OE2-CD2 3.29Å; E610-F673 WeakPolarHBondContact OE2-CD2 3.32Å; E610-F673 WeakPolarHBondContact OE2-CE2 3.28Å; F619-F673 HydrophobicContact CB-CE2 4.3Å; F619-F673 HydrophobicContact CB-CZ 3.74Å; F619-F673 HydrophobicContact CD1-CZ 4.31Å; F619-F673 AromaticContact CD2-CE1 3.99Å; F619-F673 HydrophobicContact CD2-CE1 3.99Å; F619-F673 AromaticContact CD2-CE2 3.78Å; F619-F673 HydrophobicContact CD2-CE2 3.78Å; F619-F673 AromaticContact CD2-CZ 3.24Å; F619-F673 HydrophobicContact CD2-CZ 3.24Å; F619-F673 HydrophobicContact CE2-CE1 4.1Å; F619-F673 HydrophobicContact CE2-CE2 4.45Å; F619-F673 AromaticContact CE2-CZ 3.8Å; F619-F673 HydrophobicContact CE2-CZ 3.8Å; F619-F673 HydrophobicContact CG-CE1 4.32Å; F619-F673 HydrophobicContact CG-CE2 4.31Å; F619-F673 AromaticContact CG-CZ 3.52Å; F619-F673 HydrophobicContact CG-CZ 3.52Å; F627-F673 HydrophobicContact CZ-CE1 4.18Å; F627-F673 HydrophobicContact CZ-CZ 4.15Å; F671-F673 HydrophobicContact CD2-CE2 4.06Å; F671-F673 AromaticContact CD2-CZ 3.91Å; F671-F673 HydrophobicContact CD2-CZ 3.91Å; F671-F673 AromaticContact CE2-CE2 3.64Å; F671-F673 HydrophobicContact CE2-CE2 3.64Å; F671-F673 AromaticContact CE2-CZ 3.67Å; F671-F673 HydrophobicContact CE2-CZ 3.67Å; F673-H679 WeakPolarHBondContact CA-O 3.29Å; F673-V680 HydrophobicContact CD1-CB 3.77Å; F673-V680 HydrophobicContact CD1-CG2 3.91Å; F673-V680 HydrophobicContact CE1-CB 3.69Å; F673-V680 HydrophobicContact CE1-CG2 3.6Å; F673-V680 HydrophobicContact CZ-CG2 4.36Å; F673-L693 HydrophobicContact CD1-CD1 3.88Å; F673-L693 HydrophobicContact CE1-CD1 3.79Å; F673-W718 WeakPolarHBondContact O-CB 3.43Å
674	D	90.5	Very high	91.6	Very high	17 Å²	17	28.7 Å²	28.7	9%	0.091	15%	0.149	C	C	.	.			trans	-71.3	166.9	161.2	72	-8.9	0	0	0	112	E676 G677 Q678 H679 W718	D674-E676 PolarHBondContact O-N 2.94Å; D674-G677 PolarHBondContact O-N 2.95Å; D674-G677 PolarHBondContact OD1-N 2.85Å; D674-Q678 PolarHBondContact OD1-N 2.89Å; D674-H679 HydrophobicContact CB-CB 4.34Å; D674-H679 PolarHBondContact N-O 2.81Å; D674-H679 PolarHBondContact OD1-N 2.92Å; D674-H679 IonicContact OD2-CE1 3.95Å; D674-H679 IonicContact OD2-CG 3.6Å; D674-H679 IonicContact OD2-ND1 2.67Å; D674-H679 PolarHBondContact OD2-ND1 2.87Å; D674-W718 HydrophobicContact CB-CD2 4.22Å; D674-W718 HydrophobicContact CB-CE3 4.37Å; D674-W718 HydrophobicContact CB-CH2 3.89Å; D674-W718 HydrophobicContact CB-CZ2 3.66Å; D674-W718 HydrophobicContact CB-CZ3 4.22Å
675	S	85.6	Confident	91.7	Very high	67 Å²	67	31 Å²	31	47%	0.469	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-5.6	-175.6	47.3	0	0	0	0	115.8	Y613 S720	Y613-S675 WeakPolarHBondContact CD2-O 3.49Å; Y613-S675 WeakPolarHBondContact CE2-O 3.45Å; S675-S720 VanDerWaalsContact CB-OG 3.29Å; S675-S720 WeakPolarHBondContact CB-OG 3.3Å; S675-S720 WeakPolarHBondContact OG-CB 3.38Å; S675-S720 PolarHBondContact OG-OG 2.98Å
676	E	83.9	Confident	91.7	Very high	110 Å²	110	31 Å²	31	51%	0.514	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-4.3	175.5	-61.2	-172.1	-171.3	0	0	112.1	D674 Q678	D674-E676 PolarHBondContact O-N 2.94Å; E676-Q678 VanDerWaalsContact C-N 3.26Å; E676-Q678 HydrophobicContact CB-CG 4.06Å; E676-Q678 PolarHBondContact O-N 3.19Å; E676-Q678 PolarHBondContact OE2-NE2 3.34Å
677	G	86.6	Confident	91.7	Very high	23 Å²	23	30.6 Å²	30.6	24%	0.237	17%	0.167	C	C	.	.	S	Bend	trans	66.8	24.3	-177	0	0	0	0	0	114.1	D674 L693	D674-G677 PolarHBondContact O-N 2.95Å; D674-G677 PolarHBondContact OD1-N 2.85Å; G677-L693 WeakPolarHBondContact O-CD1 3.44Å
678	Q	88.4	Confident	92	Very high	94 Å²	94	26.6 Å²	26.6	44%	0.439	15%	0.152	S	C	.	.	S	Bend	trans	-98.5	-25.2	-179.3	-63.7	-167.6	43.1	0	0	112.9	D674 E676 L693	D674-Q678 PolarHBondContact OD1-N 2.89Å; E676-Q678 VanDerWaalsContact C-N 3.26Å; E676-Q678 HydrophobicContact CB-CG 4.06Å; E676-Q678 PolarHBondContact O-N 3.19Å; E676-Q678 PolarHBondContact OE2-NE2 3.34Å; Q678-L693 WeakPolarHBondContact O-CB 3.31Å; Q678-L693 PolarHBondContact O-N 2.73Å
679	H	91.6	Very high	92.1	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.046	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.5	-177.6	-56.5	92.4	0	0	0	111.5	F400 F673 D674 I690 Y691 W718	F400-H679 HydrophobicContact CE2-CB 4.1Å; F400-H679 AromaticContact CE2-CD2 3.86Å; F400-H679 AromaticContact CE2-CE1 3.9Å; F400-H679 AromaticContact CE2-CG 3.59Å; F400-H679 AromaticContact CE2-ND1 3.62Å; F400-H679 HydrophobicContact CZ-CB 4.36Å; F400-H679 AromaticContact CZ-CE1 3.99Å; F400-H679 AromaticContact CZ-CG 3.91Å; F400-H679 AromaticContact CZ-ND1 3.54Å; F673-H679 WeakPolarHBondContact CA-O 3.29Å; D674-H679 HydrophobicContact CB-CB 4.34Å; D674-H679 PolarHBondContact N-O 2.81Å; D674-H679 PolarHBondContact OD1-N 2.92Å; D674-H679 IonicContact OD2-CE1 3.95Å; D674-H679 IonicContact OD2-CG 3.6Å; D674-H679 IonicContact OD2-ND1 2.67Å; D674-H679 PolarHBondContact OD2-ND1 2.87Å; H679-I690 HydrophobicContact CB-CG2 4.06Å; H679-Y691 CarbonylContact C-O 3.57Å; H679-Y691 VanDerWaalsContact CA-O 3.24Å; H679-Y691 WeakPolarHBondContact CA-O 3.25Å; H679-W718 HydrophobicContact CB-CH2 3.92Å; H679-W718 HydrophobicContact CB-CZ3 4.16Å
680	V	93.9	Very high	92.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.1	179.2	64.3	0	0	0	0	110.6	F627 F671 F673 I690 Y691 L693 L700	F627-V680 HydrophobicContact CE2-CG2 4.41Å; F627-V680 HydrophobicContact CZ-CG2 4.2Å; F671-V680 HydrophobicContact CB-CG2 3.83Å; F671-V680 HydrophobicContact CD2-CG2 4.18Å; F671-V680 HydrophobicContact CG-CG2 4.31Å; F673-V680 HydrophobicContact CD1-CB 3.77Å; F673-V680 HydrophobicContact CD1-CG2 3.91Å; F673-V680 HydrophobicContact CE1-CB 3.69Å; F673-V680 HydrophobicContact CE1-CG2 3.6Å; F673-V680 HydrophobicContact CZ-CG2 4.36Å; V680-I690 WeakPolarHBondContact O-CA 3.49Å; V680-Y691 PolarHBondContact N-O 2.91Å; V680-Y691 PolarHBondContact O-N 2.91Å; V680-L693 HydrophobicContact CB-CD2 4.47Å; V680-L693 HydrophobicContact CG1-CD2 4.01Å; V680-L693 HydrophobicContact CG1-CG 4.38Å; V680-L700 HydrophobicContact CG1-CD2 4.05Å
681	L	95.4	Very high	91.9	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	131	171.8	171.3	63.8	0	0	0	108.7	F671 A672 L689 I690 L706 V716 W718 C727 T729	F671-L681 CarbonylContact C-O 3.51Å; F671-L681 WeakPolarHBondContact CA-O 3.27Å; F671-L681 WeakPolarHBondContact CB-O 3.2Å; A672-L681 PolarHBondContact N-O 3.4Å; A672-L681 PolarHBondContact O-N 2.76Å; L681-L689 CarbonylContact C-O 3.36Å; L681-L689 WeakPolarHBondContact CA-O 3.42Å; L681-I690 HydrophobicContact CB-CG1 4.33Å; L681-I690 HydrophobicContact CD1-CG1 3.87Å; L681-L706 HydrophobicContact CD1-CD1 3.76Å; L681-V716 HydrophobicContact CD2-CB 3.91Å; L681-V716 HydrophobicContact CD2-CG1 4.29Å; L681-V716 HydrophobicContact CG-CB 3.99Å; L681-V716 HydrophobicContact CG-CG1 4.1Å; L681-V716 HydrophobicContact CG-CG2 4.23Å; L681-W718 HydrophobicContact CB-CE3 3.51Å; L681-W718 HydrophobicContact CB-CZ3 3.83Å; L681-W718 HydrophobicContact CD2-CE3 4.45Å; L681-C727 HydrophobicContact CD2-CB 3.89Å; L681-T729 HydrophobicContact CD1-CG2 4.36Å
682	T	95.6	Very high	91.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	164.1	172.4	80	0	0	0	0	112.3	L644 L670 F671 G688 L689 Y691	L644-T682 HydrophobicContact CD1-CG2 4.42Å; L644-T682 HydrophobicContact CD2-CG2 4.48Å; L670-T682 WeakPolarHBondContact O-CA 3.33Å; F671-T682 HydrophobicContact CB-CG2 4.33Å; T682-G688 WeakPolarHBondContact O-CA 3.37Å; T682-L689 PolarHBondContact N-O 2.96Å; T682-L689 PolarHBondContact O-N 2.96Å; T682-Y691 HydrophobicContact CG2-CD2 4.08Å; T682-Y691 HydrophobicContact CG2-CE2 3.9Å
683	C	95.3	Very high	91.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.			trans	-62.8	157.3	165.8	-60	0	0	0	0	112.1	A648 F652 L670 V713	A648-C683 WeakPolarHBondContact CA-O 3.3Å; A648-C683 VanDerWaalsContact CB-O 3.31Å; A648-C683 WeakPolarHBondContact CB-O 3.36Å; F652-C683 HydrophobicContact CE1-CB 4.41Å; L670-C683 PolarHBondContact O-N 2.89Å; C683-V713 HydrophobicContact CB-CB 4.41Å; C683-V713 HydrophobicContact CB-CG1 4.2Å; C683-V713 WeakPolarHBondContact CB-O 3.47Å
684	S	94.1	Very high	90.3	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.035	18%	0.175	C	C	.	.			trans	-163.9	164.9	165.6	168.3	0	0	0	0	109.7	D647 S686 G687 V713	D647-S684 WeakPolarHBondContact O-CA 3.4Å; D647-S684 WeakPolarHBondContact OD2-CA 3.44Å; D647-S684 WeakPolarHBondContact OD2-CB 3.39Å; D647-S684 PolarHBondContact OD2-OG 2.8Å; S684-S686 VanDerWaalsContact C-N 3.3Å; S684-S686 PolarHBondContact O-N 3.1Å; S684-G687 CarbonylContact C-O 3.54Å; S684-G687 WeakPolarHBondContact CA-O 3.21Å; S684-G687 VanDerWaalsContact CB-O 3.27Å; S684-G687 WeakPolarHBondContact CB-O 3.2Å; S684-G687 PolarHBondContact N-O 3.29Å; S684-G687 VanDerWaalsContact N-O 3.16Å; S684-V713 WeakPolarHBondContact O-CB 3.44Å; S684-V713 PolarHBondContact O-N 2.9Å
685	S	90.8	Very high	89	Confident	63 Å²	63	37.2 Å²	37.2	44%	0.441	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29	-177.9	50.5	0	0	0	0	114.9	D647	D647-S685 WeakPolarHBondContact OD2-CB 3.3Å; D647-S685 PolarHBondContact OD2-N 3.44Å; D647-S685 PolarHBondContact OD2-OG 2.83Å
686	S	89.4	Confident	87.6	Confident	65 Å²	65	37.9 Å²	37.9	46%	0.455	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-5.9	-177	56.8	0	0	0	0	115.2	S684 G707 G708 H709	S684-S686 VanDerWaalsContact C-N 3.3Å; S684-S686 PolarHBondContact O-N 3.1Å; S686-G707 CarbonylContact O-C 3.53Å; S686-G707 VanDerWaalsContact O-C 3.26Å; S686-G707 WeakPolarHBondContact O-CA 3.23Å; S686-G708 PolarHBondContact O-N 2.99Å; S686-H709 PolarHBondContact O-N 3.43Å
687	G	91.5	Very high	86.5	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	154.7	-169.4	-175.1	0	0	0	0	0	111.6	S684	S684-G687 CarbonylContact C-O 3.54Å; S684-G687 WeakPolarHBondContact CA-O 3.21Å; S684-G687 VanDerWaalsContact CB-O 3.27Å; S684-G687 WeakPolarHBondContact CB-O 3.2Å; S684-G687 PolarHBondContact N-O 3.29Å; S684-G687 VanDerWaalsContact N-O 3.16Å
688	G	92.6	Very high	85.1	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.253	C	S	.	.			trans	-78.5	148.3	169.9	0	0	0	0	0	112.4	T682 L706	T682-G688 WeakPolarHBondContact O-CA 3.37Å; G688-L706 WeakPolarHBondContact O-CB 3.24Å; G688-L706 PolarHBondContact O-N 3.21Å
689	L	93.6	Very high	84	Confident	29 Å²	29	41.3 Å²	41.3	15%	0.152	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129	172	-63.1	178.9	0	0	0	109.6	L681 T682 Y691 P705	L681-L689 CarbonylContact C-O 3.36Å; L681-L689 WeakPolarHBondContact CA-O 3.42Å; T682-L689 PolarHBondContact N-O 2.96Å; T682-L689 PolarHBondContact O-N 2.96Å; L689-Y691 HydrophobicContact CB-CD2 4.45Å; L689-Y691 HydrophobicContact CB-CE2 3.74Å; L689-P705 HydrophobicContact CD2-CB 3.78Å
690	I	93.8	Very high	83.4	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.5	175	-62.4	171.3	0	0	0	109.4	F400 H679 V680 L681 V703 L704 L706 W718 L741	F400-I690 HydrophobicContact CE2-CG2 4.33Å; H679-I690 HydrophobicContact CB-CG2 4.06Å; V680-I690 WeakPolarHBondContact O-CA 3.49Å; L681-I690 HydrophobicContact CB-CG1 4.33Å; L681-I690 HydrophobicContact CD1-CG1 3.87Å; I690-V703 HydrophobicContact CG2-CB 4.36Å; I690-V703 PolarHBondContact O-N 2.78Å; I690-L704 HydrophobicContact CB-CB 4.3Å; I690-L704 HydrophobicContact CD1-CD2 4.43Å; I690-L704 PolarHBondContact N-O 3.2Å; I690-L704 PolarHBondContact O-N 3.17Å; I690-L706 HydrophobicContact CD1-CD1 4.25Å; I690-L706 HydrophobicContact CD1-CD2 3.9Å; I690-L706 HydrophobicContact CD1-CG 4.1Å; I690-L706 HydrophobicContact CG1-CG 4.46Å; I690-W718 HydrophobicContact CD1-CH2 3.81Å; I690-W718 HydrophobicContact CD1-CZ2 4.42Å; I690-W718 HydrophobicContact CD1-CZ3 4.15Å; I690-W718 HydrophobicContact CG1-CH2 4.17Å; I690-W718 HydrophobicContact CG1-CZ3 4.08Å; I690-W718 HydrophobicContact CG2-CH2 3.84Å; I690-W718 HydrophobicContact CG2-CZ3 4.03Å; I690-L741 HydrophobicContact CD1-CD1 3.45Å; I690-L741 VanDerWaalsContact CD1-CD1 3.45Å
691	Y	91.5	Very high	82.9	Confident	7 Å²	7	45.3 Å²	45.3	3%	0.027	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	155.1	176.5	-57.3	-98.7	0	0	0	111.4	H679 V680 T682 L689 L700 D701 R702	H679-Y691 CarbonylContact C-O 3.57Å; H679-Y691 VanDerWaalsContact CA-O 3.24Å; H679-Y691 WeakPolarHBondContact CA-O 3.25Å; V680-Y691 PolarHBondContact N-O 2.91Å; V680-Y691 PolarHBondContact O-N 2.91Å; T682-Y691 HydrophobicContact CG2-CD2 4.08Å; T682-Y691 HydrophobicContact CG2-CE2 3.9Å; L689-Y691 HydrophobicContact CB-CD2 4.45Å; L689-Y691 HydrophobicContact CB-CE2 3.74Å; Y691-L700 HydrophobicContact CD1-CB 3.61Å; Y691-L700 WeakPolarHBondContact CD1-O 3.49Å; Y691-L700 HydrophobicContact CE1-CB 4.27Å; Y691-L700 HydrophobicContact CG-CB 4.08Å; Y691-L700 HydrophobicContact CG-CD2 4.47Å; Y691-D701 CarbonylContact C-O 3.54Å; Y691-D701 WeakPolarHBondContact CA-O 3.45Å; Y691-D701 WeakPolarHBondContact CB-O 3.34Å; Y691-R702 HydrophobicContact CD1-CG 3.72Å; Y691-R702 HydrophobicContact CE1-CG 3.45Å; Y691-R702 VanDerWaalsContact CE1-CG 3.45Å
692	R	90.1	Very high	82.5	Confident	79 Å²	79	53.3 Å²	53.3	30%	0.298	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138.2	170.5	-177.6	178.7	-73.2	147.2	-12.8	110.4	T694 D701 V703	R692-T694 PolarHBondContact O-N 2.76Å; R692-D701 HydrophobicContact CB-CB 4.42Å; R692-D701 PolarHBondContact N-O 3.4Å; R692-D701 IonicContact NH1-OD2 3.79Å; R692-V703 HydrophobicContact CB-CG2 3.65Å
693	L	86.1	Confident	82	Confident	30 Å²	30	54.3 Å²	54.3	16%	0.157	31%	0.313	C	S	.	.			trans	-88	101.1	175	-63.8	166.3	0	0	0	109.7	F619 F627 F673 G677 Q678 V680 L700	F619-L693 HydrophobicContact CE1-CD2 4.03Å; F619-L693 HydrophobicContact CZ-CD1 4.1Å; F619-L693 HydrophobicContact CZ-CD2 4.1Å; F627-L693 HydrophobicContact CE1-CD2 4.05Å; F627-L693 HydrophobicContact CZ-CD2 4.49Å; F673-L693 HydrophobicContact CD1-CD1 3.88Å; F673-L693 HydrophobicContact CE1-CD1 3.79Å; G677-L693 WeakPolarHBondContact O-CD1 3.44Å; Q678-L693 WeakPolarHBondContact O-CB 3.31Å; Q678-L693 PolarHBondContact O-N 2.73Å; V680-L693 HydrophobicContact CB-CD2 4.47Å; V680-L693 HydrophobicContact CG1-CD2 4.01Å; V680-L693 HydrophobicContact CG1-CG 4.38Å; L693-L700 HydrophobicContact CD2-CD2 3.9Å
694	T	75.6	Confident	81.7	Confident	45 Å²	45	55.6 Å²	55.6	28%	0.276	32%	0.319	S	S	.	.			trans	-88.8	106.8	177.9	47.3	0	0	0	0	111	R692 G696 E697 A699	R692-T694 PolarHBondContact O-N 2.76Å; T694-G696 PolarHBondContact O-N 2.95Å; T694-E697 PolarHBondContact O-N 2.87Å; T694-E697 PolarHBondContact OG1-O 2.9Å; T694-A699 PolarHBondContact OG1-O 2.81Å
695	N	63	Low	81.6	Confident	149 Å²	149	59.6 Å²	59.6	80%	0.797	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	92.7	176.9	-76.7	-15.4	0	0	0	111.8
696	G	56.5	Low	81.7	Confident	81 Å²	81	56.7 Å²	56.7	84%	0.835	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.3	-14.3	172.9	0	0	0	0	0	115.7	T694	T694-G696 PolarHBondContact O-N 2.95Å
697	E	61.2	Low	81.8	Confident	133 Å²	133	54.4 Å²	54.4	62%	0.621	31%	0.311	S	S	*	.			trans	-97	142.1	174.2	-68.3	-158.4	169.7	0	0	112.2	T694 A699	T694-E697 PolarHBondContact O-N 2.87Å; T694-E697 PolarHBondContact OG1-O 2.9Å; E697-A699 PolarHBondContact O-N 3.5Å
698	P	56.9	Low	81.7	Confident	109 Å²	109	56.7 Å²	56.7	71%	0.708	34%	0.335	S	S	*	.	S	Bend	trans	-81.6	12.7	-174.1	35.3	-38.2	0	0	0	114.3	Q642	Q642-P698 WeakPolarHBondContact CG-O 3.13Å; Q642-P698 VanDerWaalsContact NE2-C 3.31Å; Q642-P698 PolarHBondContact NE2-O 3.26Å; Q642-P698 PolarHBondContact OE1-O 3.27Å
699	A	65.6	Low	81.8	Confident	57 Å²	57	57.5 Å²	57.5	47%	0.471	34%	0.339	S	S	.	.			trans	-128	119.7	-174.6	0	0	0	0	0	112.1	Q642 T694 E697 D701	Q642-A699 VanDerWaalsContact NE2-C 3.35Å; T694-A699 PolarHBondContact OG1-O 2.81Å; E697-A699 PolarHBondContact O-N 3.5Å; A699-D701 PolarHBondContact O-N 2.82Å
700	L	79.6	Confident	81.8	Confident	20 Å²	20	65.6 Å²	65.6	11%	0.105	37%	0.372	C	S	.	.			trans	-71.1	102.5	170.8	-83.4	166.2	0	0	0	107.6	F627 Q642 L644 V680 Y691 L693	F627-L700 HydrophobicContact CD1-CD1 4.08Å; Q642-L700 HydrophobicContact CB-CD1 4.38Å; Q642-L700 VanDerWaalsContact CD-N 3.3Å; Q642-L700 VanDerWaalsContact NE2-N 3.12Å; Q642-L700 VanDerWaalsContact OE1-CB 3.28Å; Q642-L700 VanDerWaalsContact OE1-CG 3.26Å; L644-L700 HydrophobicContact CD2-CD1 4.05Å; V680-L700 HydrophobicContact CG1-CD2 4.05Å; Y691-L700 HydrophobicContact CD1-CB 3.61Å; Y691-L700 WeakPolarHBondContact CD1-O 3.49Å; Y691-L700 HydrophobicContact CE1-CB 4.27Å; Y691-L700 HydrophobicContact CG-CB 4.08Å; Y691-L700 HydrophobicContact CG-CD2 4.47Å; L693-L700 HydrophobicContact CD2-CD2 3.9Å
701	D	82.6	Confident	81.8	Confident	75 Å²	75	65.7 Å²	65.7	40%	0.401	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	135	176.4	-178.1	25.7	0	0	0	110.7	Y691 R692 A699 V703	Y691-D701 CarbonylContact C-O 3.54Å; Y691-D701 WeakPolarHBondContact CA-O 3.45Å; Y691-D701 WeakPolarHBondContact CB-O 3.34Å; R692-D701 HydrophobicContact CB-CB 4.42Å; R692-D701 PolarHBondContact N-O 3.4Å; R692-D701 IonicContact NH1-OD2 3.79Å; A699-D701 PolarHBondContact O-N 2.82Å; D701-V703 PolarHBondContact O-N 3.34Å
702	R	86.2	Confident	82	Confident	169 Å²	169	66.4 Å²	66.4	64%	0.638	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	93.1	-172.2	-77.6	-178.2	178	-166	-1.1	110.4	Y691	Y691-R702 HydrophobicContact CD1-CG 3.72Å; Y691-R702 HydrophobicContact CE1-CG 3.45Å; Y691-R702 VanDerWaalsContact CE1-CG 3.45Å
703	V	86.9	Confident	82.3	Confident	23 Å²	23	62.6 Å²	62.6	14%	0.139	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-53.9	-171.6	177	0	0	0	0	113.1	P399 F400 I690 R692 D701	P399-V703 HydrophobicContact CG-CG1 3.38Å; F400-V703 HydrophobicContact CD2-CG1 4.35Å; I690-V703 HydrophobicContact CG2-CB 4.36Å; I690-V703 PolarHBondContact O-N 2.78Å; R692-V703 HydrophobicContact CB-CG2 3.65Å; D701-V703 PolarHBondContact O-N 3.34Å
704	L	88.3	Confident	82.8	Confident	27 Å²	27	61.2 Å²	61.2	14%	0.141	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	114.8	-170.9	-177.3	62.5	0	0	0	112.7	F400 I690 L706 L741	F400-L704 HydrophobicContact CB-CD2 4.12Å; I690-L704 HydrophobicContact CB-CB 4.3Å; I690-L704 HydrophobicContact CD1-CD2 4.43Å; I690-L704 PolarHBondContact N-O 3.2Å; I690-L704 PolarHBondContact O-N 3.17Å; L704-L706 HydrophobicContact CD2-CD2 4.07Å; L704-L706 HydrophobicContact CG-CD2 4.34Å; L704-L706 PolarHBondContact O-N 3.34Å; L704-L741 HydrophobicContact CD2-CD1 4.42Å; L704-L741 HydrophobicContact CD2-CD2 3.93Å
705	P	92.4	Very high	83.8	Confident	88 Å²	88	59 Å²	59	57%	0.571	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	117.8	164.3	30.3	-31.7	0	0	0	110.2	L689	L689-P705 HydrophobicContact CD2-CB 3.78Å
706	L	91.6	Very high	85.4	Confident	3 Å²	3	52 Å²	52	2%	0.016	31%	0.306	C	S	.	.			trans	-71.4	-38	177.3	-64.8	-179.4	0	0	0	111.8	K402 Q405 L681 G688 I690 L704 C727 T729 L741	K402-L706 PolarHBondContact NZ-O 3.44Å; Q405-L706 PolarHBondContact NE2-O 3.25Å; L681-L706 HydrophobicContact CD1-CD1 3.76Å; G688-L706 WeakPolarHBondContact O-CB 3.24Å; G688-L706 PolarHBondContact O-N 3.21Å; I690-L706 HydrophobicContact CD1-CD1 4.25Å; I690-L706 HydrophobicContact CD1-CD2 3.9Å; I690-L706 HydrophobicContact CD1-CG 4.1Å; I690-L706 HydrophobicContact CG1-CG 4.46Å; L704-L706 HydrophobicContact CD2-CD2 4.07Å; L704-L706 HydrophobicContact CG-CD2 4.34Å; L704-L706 PolarHBondContact O-N 3.34Å; L706-C727 HydrophobicContact CD1-CB 3.68Å; L706-T729 HydrophobicContact CD1-CG2 4.08Å; L706-L741 HydrophobicContact CD2-CD1 4.39Å; L706-L741 HydrophobicContact CD2-CD2 4.02Å
707	G	91.6	Very high	87.3	Confident	17 Å²	17	48.4 Å²	48.4	18%	0.175	27%	0.268	C	S	.	.			trans	60.5	-169	172.8	0	0	0	0	0	116.1	Q405 S686	Q405-G707 PolarHBondContact NE2-O 2.71Å; Q405-G707 VanDerWaalsContact NE2-O 3.07Å; S686-G707 CarbonylContact O-C 3.53Å; S686-G707 VanDerWaalsContact O-C 3.26Å; S686-G707 WeakPolarHBondContact O-CA 3.23Å
708	G	89.9	Confident	88.8	Confident	48 Å²	48	43 Å²	43	50%	0.495	24%	0.242	S	C	.	.			trans	90.9	-3.4	168.6	0	0	0	0	0	116.6	S686 K737	S686-G708 PolarHBondContact O-N 2.99Å; G708-K737 WeakPolarHBondContact O-CE 3.28Å; G708-K737 PolarHBondContact O-NZ 2.56Å
709	H	95.2	Very high	90.4	Very high	16 Å²	16	39.1 Å²	39.1	7%	0.074	22%	0.217	C	C	.	.			trans	-85.8	153.8	175	-72.9	-99.3	0	0	0	111.9	S686 V713 T729 S731 K737	S686-H709 PolarHBondContact O-N 3.43Å; H709-V713 HydrophobicContact CB-CG2 4.32Å; H709-T729 PolarHBondContact CE1-O 3.36Å; H709-T729 PolarHBondContact NE2-O 3.13Å; H709-T729 PolarHBondContact NE2-OG1 3.27Å; H709-S731 WeakPolarHBondContact ND1-CB 3.33Å; H709-S731 PolarHBondContact ND1-OG 2.86Å; H709-K737 WeakPolarHBondContact NE2-CG 3.25Å
710	K	92.6	Very high	90.9	Very high	199 Å²	199	38.1 Å²	38.1	87%	0.865	21%	0.207	S	C	*	.	S	Bend	trans	-108.9	-9.8	177.5	-66.3	-178.6	179.5	177.9	0	113.7
711	A	94.1	Very high	90.1	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.033	21%	0.212	C	C	.	.	S	Bend	trans	-132.5	158.1	175.2	0	0	0	0	0	108.5	L654 V713 S731 M732 D733	L654-A711 HydrophobicContact CD1-CB 3.9Å; L654-A711 HydrophobicContact CD2-CB 4.24Å; A711-V713 PolarHBondContact O-N 2.84Å; A711-S731 WeakPolarHBondContact O-CB 3.42Å; A711-M732 HydrophobicContact CB-CB 4.22Å; A711-D733 HydrophobicContact CB-CB 3.88Å
712	P	95.2	Very high	88.9	Confident	22 Å²	22	39.6 Å²	39.6	14%	0.143	22%	0.222	C	C	.	.			trans	-55.6	138.5	-176.3	-25.5	34.4	0	0	0	112.9	F652 S731 M732	F652-P712 HydrophobicContact CB-CB 4.43Å; F652-P712 HydrophobicContact CD1-CB 4.31Å; P712-S731 WeakPolarHBondContact O-CA 3.02Å; P712-S731 WeakPolarHBondContact O-CB 3.29Å; P712-M732 HydrophobicContact CB-CG 4.48Å; P712-M732 HydrophobicContact CB-SD 4.24Å; P712-M732 HydrophobicContact CG-SD 4.06Å; P712-M732 PolarHBondContact O-N 3.07Å; P712-M732 VanDerWaalsContact O-N 3.09Å
713	V	96.8	Very high	87.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	133.7	167.3	177.3	0	0	0	0	108.5	F652 C683 S684 H709 A711 V716 A730	F652-V713 VanDerWaalsContact CE1-O 3.3Å; F652-V713 WeakPolarHBondContact CE1-O 3.42Å; C683-V713 HydrophobicContact CB-CB 4.41Å; C683-V713 HydrophobicContact CB-CG1 4.2Å; C683-V713 WeakPolarHBondContact CB-O 3.47Å; S684-V713 WeakPolarHBondContact O-CB 3.44Å; S684-V713 PolarHBondContact O-N 2.9Å; H709-V713 HydrophobicContact CB-CG2 4.32Å; A711-V713 PolarHBondContact O-N 2.84Å; V713-V716 HydrophobicContact CG1-CG1 3.84Å; V713-A730 CarbonylContact C-O 3.54Å; V713-A730 WeakPolarHBondContact CA-O 3.49Å; V713-A730 WeakPolarHBondContact CG1-O 3.39Å
714	V	96.2	Very high	87.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-12.9	-171.1	-57.1	0	0	0	0	114	I415 F652 A730 M732	I415-V714 WeakPolarHBondContact O-CG2 3.43Å; F652-V714 HydrophobicContact CB-CG1 3.69Å; F652-V714 HydrophobicContact CD1-CG1 4.05Å; F652-V714 HydrophobicContact CD2-CB 3.85Å; F652-V714 HydrophobicContact CD2-CG1 3.63Å; F652-V714 HydrophobicContact CE2-CB 4.01Å; F652-V714 HydrophobicContact CE2-CG1 4.24Å; F652-V714 HydrophobicContact CG-CB 4.21Å; F652-V714 HydrophobicContact CG-CG1 3.52Å; V714-A730 PolarHBondContact N-O 3.33Å; V714-M732 HydrophobicContact CG1-CG 3.41Å; V714-M732 VanDerWaalsContact CG1-CG 3.41Å; V714-M732 HydrophobicContact CG1-SD 4.28Å
715	T	96.9	Very high	86.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	147.9	167.7	-175.4	0	0	0	0	109.4	I415 C418 G668 R669 A730	I415-T715 HydrophobicContact CG2-CG2 4.08Å; C418-T715 HydrophobicContact CB-CG2 4.08Å; G668-T715 WeakPolarHBondContact CA-OG1 3.46Å; R669-T715 PolarHBondContact N-OG1 2.78Å; R669-T715 VanDerWaalsContact N-OG1 3.1Å; R669-T715 CarbonylContact O-C 3.48Å; R669-T715 VanDerWaalsContact O-CA 3.29Å; R669-T715 WeakPolarHBondContact O-CA 3.36Å; R669-T715 PolarHBondContact O-OG1 3.27Å; T715-A730 HydrophobicContact CG2-CB 3.85Å; T715-A730 PolarHBondContact O-N 3.3Å; T715-A730 VanDerWaalsContact O-N 3.07Å
716	V	97.2	Very high	86.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	164.6	173.9	-64.4	0	0	0	0	110.9	R669 L681 V713 L728 T729	R669-V716 WeakPolarHBondContact CB-O 3.36Å; R669-V716 PolarHBondContact O-N 3.49Å; L681-V716 HydrophobicContact CD2-CB 3.91Å; L681-V716 HydrophobicContact CD2-CG1 4.29Å; L681-V716 HydrophobicContact CG-CB 3.99Å; L681-V716 HydrophobicContact CG-CG1 4.1Å; L681-V716 HydrophobicContact CG-CG2 4.23Å; V713-V716 HydrophobicContact CG1-CG1 3.84Å; V716-L728 VanDerWaalsContact CA-O 3.29Å; V716-L728 WeakPolarHBondContact CA-O 3.47Å; V716-T729 HydrophobicContact CG1-CG2 4.02Å
717	D	96.2	Very high	86.9	Confident	6 Å²	6	34.5 Å²	34.5	3%	0.032	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	153.5	170	-153.4	42.8	0	0	0	108.7	R419 V420 R669 L728	R419-D717 VanDerWaalsContact CA-OD2 3.32Å; R419-D717 WeakPolarHBondContact CA-OD2 3.48Å; V420-D717 PolarHBondContact N-OD2 2.64Å; R669-D717 IonicContact CZ-OD1 2.83Å; R669-D717 IonicContact NH1-OD1 2.95Å; R669-D717 PolarHBondContact NH1-OD1 3.25Å; D717-L728 HydrophobicContact CB-CB 4.26Å; D717-L728 HydrophobicContact CB-CD1 4.45Å; D717-L728 PolarHBondContact N-O 3.35Å; D717-L728 VanDerWaalsContact N-O 3.11Å; D717-L728 PolarHBondContact O-N 3.42Å
718	W	93.8	Very high	87.2	Confident	21 Å²	21	33.8 Å²	33.8	8%	0.08	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	130.3	179.4	-164.3	-24.4	0	0	0	109.4	F400 A672 F673 D674 H679 L681 I690 T726 C727 L741	F400-W718 HydrophobicContact CE1-CZ2 4.28Å; F400-W718 HydrophobicContact CE2-CH2 4.05Å; F400-W718 HydrophobicContact CE2-CZ2 4.33Å; F400-W718 HydrophobicContact CZ-CH2 4.02Å; F400-W718 AromaticContact CZ-CZ2 3.92Å; F400-W718 HydrophobicContact CZ-CZ2 3.92Å; A672-W718 HydrophobicContact CB-CB 4.04Å; F673-W718 WeakPolarHBondContact O-CB 3.43Å; D674-W718 HydrophobicContact CB-CD2 4.22Å; D674-W718 HydrophobicContact CB-CE3 4.37Å; D674-W718 HydrophobicContact CB-CH2 3.89Å; D674-W718 HydrophobicContact CB-CZ2 3.66Å; D674-W718 HydrophobicContact CB-CZ3 4.22Å; H679-W718 HydrophobicContact CB-CH2 3.92Å; H679-W718 HydrophobicContact CB-CZ3 4.16Å; L681-W718 HydrophobicContact CB-CE3 3.51Å; L681-W718 HydrophobicContact CB-CZ3 3.83Å; L681-W718 HydrophobicContact CD2-CE3 4.45Å; I690-W718 HydrophobicContact CD1-CH2 3.81Å; I690-W718 HydrophobicContact CD1-CZ2 4.42Å; I690-W718 HydrophobicContact CD1-CZ3 4.15Å; I690-W718 HydrophobicContact CG1-CH2 4.17Å; I690-W718 HydrophobicContact CG1-CZ3 4.08Å; I690-W718 HydrophobicContact CG2-CH2 3.84Å; I690-W718 HydrophobicContact CG2-CZ3 4.03Å; W718-T726 WeakPolarHBondContact CA-O 3.17Å; W718-C727 VanDerWaalsContact CD2-SG 3.6Å; W718-L741 HydrophobicContact CZ2-CD1 4.05Å
719	C	88.8	Confident	87.5	Confident	26 Å²	26	31.5 Å²	31.5	18%	0.176	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	126.3	175	-178.1	0	0	0	0	110.7	V420 T726	V420-C719 HydrophobicContact CB-CB 3.86Å; V420-C719 HydrophobicContact CG1-CB 3.83Å; V420-C719 HydrophobicContact CG2-CB 3.78Å; C719-T726 PolarHBondContact N-O 2.92Å; C719-T726 WeakPolarHBondContact O-CA 3.46Å; C719-T726 VanDerWaalsContact O-CB 3.31Å; C719-T726 WeakPolarHBondContact O-CB 3.37Å; C719-T726 PolarHBondContact O-N 2.92Å
720	S	76.7	Confident	87.6	Confident	37 Å²	37	30.7 Å²	30.7	26%	0.259	17%	0.171	S	C	.	.			trans	-97	33.7	179.6	-53.2	0	0	0	0	114.1	S675	S675-S720 VanDerWaalsContact CB-OG 3.29Å; S675-S720 WeakPolarHBondContact CB-OG 3.3Å; S675-S720 WeakPolarHBondContact OG-CB 3.38Å; S675-S720 PolarHBondContact OG-OG 2.98Å
721	A	62.8	Low	87.8	Confident	27 Å²	27	21.2 Å²	21.2	22%	0.223	13%	0.13	C	C	.	.			trans	-68.5	140.3	176.5	0	0	0	0	0	111.6
722	V	58.3	Low	87.9	Confident	98 Å²	98	21.1 Å²	21.1	59%	0.594	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	51.7	178	-157.3	0	0	0	0	113	C724	V722-C724 PolarHBondContact O-N 3.25Å
723	D	62.5	Low	87.8	Confident	155 Å²	155	22.5 Å²	22.5	83%	0.829	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	1.7	170.5	-55.4	-43.4	0	0	0	117
724	C	72.6	Confident	87.7	Confident	31 Å²	31	22.5 Å²	22.5	21%	0.209	14%	0.135	C	C	.	.	S	Bend	trans	-125.5	136.6	178	-63.4	0	0	0	0	110.4	V722 T726 T740 L741	V722-C724 PolarHBondContact O-N 3.25Å; C724-T726 PolarHBondContact O-N 3.42Å; C724-T740 HydrophobicContact CB-CG2 3.9Å; C724-L741 CarbonylContact C-O 3.52Å; C724-L741 WeakPolarHBondContact CA-O 3.28Å
725	G	82.8	Confident	87.8	Confident	9 Å²	9	25.1 Å²	25.1	9%	0.093	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	112.6	173.8	0	0	0	0	0	111	L741	G725-L741 PolarHBondContact N-O 3.49Å; G725-L741 WeakPolarHBondContact O-CB 3.37Å; G725-L741 PolarHBondContact O-N 2.68Å
726	T	91.2	Very high	87.8	Confident	9 Å²	9	25.1 Å²	25.1	6%	0.055	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	106.1	174.2	-58	0	0	0	0	109.4	F441 W718 C719 C724 L738	F441-T726 HydrophobicContact CE2-CG2 4.07Å; F441-T726 HydrophobicContact CZ-CG2 4.05Å; W718-T726 WeakPolarHBondContact CA-O 3.17Å; C719-T726 PolarHBondContact N-O 2.92Å; C719-T726 WeakPolarHBondContact O-CA 3.46Å; C719-T726 VanDerWaalsContact O-CB 3.31Å; C719-T726 WeakPolarHBondContact O-CB 3.37Å; C719-T726 PolarHBondContact O-N 2.92Å; C724-T726 PolarHBondContact O-N 3.42Å; T726-L738 HydrophobicContact CG2-CD1 3.84Å; T726-L738 HydrophobicContact CG2-CD2 3.84Å; T726-L738 HydrophobicContact CG2-CG 3.63Å
727	C	94.5	Very high	87.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.7	175	-60.7	0	0	0	0	110.8	L681 L706 W718 L738 S739 L741	L681-C727 HydrophobicContact CD2-CB 3.89Å; L706-C727 HydrophobicContact CD1-CB 3.68Å; W718-C727 VanDerWaalsContact CD2-SG 3.6Å; C727-L738 WeakPolarHBondContact O-CA 3.45Å; C727-S739 PolarHBondContact N-O 2.91Å; C727-S739 PolarHBondContact O-N 2.78Å; C727-L741 VanDerWaalsContact SG-CD1 3.53Å
728	L	96.2	Very high	87.7	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.1	171.3	-61.6	-174.4	0	0	0	110.8	V420 V427 W439 V716 D717 K737 L738	V420-L728 HydrophobicContact CG2-CD1 3.56Å; V420-L728 HydrophobicContact CG2-CG 4.14Å; V427-L728 HydrophobicContact CB-CD1 4.34Å; V427-L728 HydrophobicContact CG1-CD1 3.56Å; V427-L728 HydrophobicContact CG2-CD1 3.78Å; V427-L728 HydrophobicContact CG2-CD2 4.5Å; W439-L728 HydrophobicContact CH2-CD2 4.22Å; V716-L728 VanDerWaalsContact CA-O 3.29Å; V716-L728 WeakPolarHBondContact CA-O 3.47Å; D717-L728 HydrophobicContact CB-CB 4.26Å; D717-L728 HydrophobicContact CB-CD1 4.45Å; D717-L728 PolarHBondContact N-O 3.35Å; D717-L728 VanDerWaalsContact N-O 3.11Å; D717-L728 PolarHBondContact O-N 3.42Å; L728-K737 WeakPolarHBondContact CA-O 3.19Å; L728-L738 HydrophobicContact CD2-CB 3.9Å; L728-L738 HydrophobicContact CD2-CD1 3.86Å; L728-L738 HydrophobicContact CD2-CG 3.82Å
729	T	97.4	Very high	87.7	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.7	173.1	52.3	0	0	0	0	109.1	L681 L706 H709 V716 I736 K737	L681-T729 HydrophobicContact CD1-CG2 4.36Å; L706-T729 HydrophobicContact CD1-CG2 4.08Å; H709-T729 PolarHBondContact CE1-O 3.36Å; H709-T729 PolarHBondContact NE2-O 3.13Å; H709-T729 PolarHBondContact NE2-OG1 3.27Å; V716-T729 HydrophobicContact CG1-CG2 4.02Å; T729-I736 CarbonylContact O-C 3.56Å; T729-I736 WeakPolarHBondContact O-CA 3.49Å; T729-K737 PolarHBondContact N-O 3.49Å; T729-K737 PolarHBondContact O-N 3.45Å
730	A	97.5	Very high	87.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.9	-174.4	0	0	0	0	0	112.3	I415 C418 V713 V714 T715 K735 I736	I415-A730 HydrophobicContact CB-CB 3.93Å; I415-A730 HydrophobicContact CG1-CB 4.05Å; I415-A730 HydrophobicContact CG2-CB 3.78Å; C418-A730 HydrophobicContact CB-CB 4.24Å; V713-A730 CarbonylContact C-O 3.54Å; V713-A730 WeakPolarHBondContact CA-O 3.49Å; V713-A730 WeakPolarHBondContact CG1-O 3.39Å; V714-A730 PolarHBondContact N-O 3.33Å; T715-A730 HydrophobicContact CG2-CB 3.85Å; T715-A730 PolarHBondContact O-N 3.3Å; T715-A730 VanDerWaalsContact O-N 3.07Å; A730-K735 WeakPolarHBondContact CA-O 3.45Å; A730-I736 HydrophobicContact CB-CB 4.48Å; A730-I736 HydrophobicContact CB-CG1 3.95Å; A730-I736 HydrophobicContact CB-CG2 4.25Å
731	S	96.8	Very high	88.5	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	168.5	-169.1	48.7	0	0	0	0	115.8	H709 A711 P712 D733 G734 K735	H709-S731 WeakPolarHBondContact ND1-CB 3.33Å; H709-S731 PolarHBondContact ND1-OG 2.86Å; A711-S731 WeakPolarHBondContact O-CB 3.42Å; P712-S731 WeakPolarHBondContact O-CA 3.02Å; P712-S731 WeakPolarHBondContact O-CB 3.29Å; S731-D733 WeakPolarHBondContact CB-OD1 3.4Å; S731-D733 PolarHBondContact O-N 3.41Å; S731-D733 VanDerWaalsContact O-N 3.16Å; S731-D733 PolarHBondContact OG-OD1 2.78Å; S731-G734 PolarHBondContact O-N 3.16Å; S731-G734 VanDerWaalsContact O-N 3.14Å; S731-K735 PolarHBondContact N-O 3.34Å; S731-K735 PolarHBondContact OG-O 3.02Å; S731-K735 VanDerWaalsContact OG-O 3.12Å
732	M	95.4	Very high	89.6	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.9	-175.9	-61	-175.1	74.8	0	0	115.4	S414 F652 L654 Q662 Q664 A711 P712 V714 G734	S414-M732 VanDerWaalsContact CA-O 3.28Å; S414-M732 WeakPolarHBondContact CA-O 3.42Å; S414-M732 WeakPolarHBondContact CB-O 3.48Å; S414-M732 PolarHBondContact N-O 3.08Å; S414-M732 WeakPolarHBondContact OG-CA 3.23Å; F652-M732 HydrophobicContact CB-CE 4.45Å; F652-M732 HydrophobicContact CB-CG 4.46Å; F652-M732 HydrophobicContact CB-SD 3.63Å; L654-M732 HydrophobicContact CB-CB 4.17Å; L654-M732 HydrophobicContact CB-CE 3.84Å; L654-M732 HydrophobicContact CB-SD 3.83Å; L654-M732 HydrophobicContact CD2-CB 3.92Å; Q662-M732 HydrophobicContact CB-CE 4.19Å; Q662-M732 HydrophobicContact CG-CE 3.89Å; Q664-M732 HydrophobicContact CB-CE 4.07Å; A711-M732 HydrophobicContact CB-CB 4.22Å; P712-M732 HydrophobicContact CB-CG 4.48Å; P712-M732 HydrophobicContact CB-SD 4.24Å; P712-M732 HydrophobicContact CG-SD 4.06Å; P712-M732 PolarHBondContact O-N 3.07Å; P712-M732 VanDerWaalsContact O-N 3.09Å; V714-M732 HydrophobicContact CG1-CG 3.41Å; V714-M732 VanDerWaalsContact CG1-CG 3.41Å; V714-M732 HydrophobicContact CG1-SD 4.28Å; M732-G734 VanDerWaalsContact C-N 3.3Å
733	D	93.9	Very high	90.7	Very high	50 Å²	50	23.2 Å²	23.2	27%	0.267	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	10.4	176.7	61.5	-7.2	0	0	0	113.6	A711 S731 K735	A711-D733 HydrophobicContact CB-CB 3.88Å; S731-D733 WeakPolarHBondContact CB-OD1 3.4Å; S731-D733 PolarHBondContact O-N 3.41Å; S731-D733 VanDerWaalsContact O-N 3.16Å; S731-D733 PolarHBondContact OG-OD1 2.78Å; D733-K735 PolarHBondContact O-N 2.85Å; D733-K735 WeakPolarHBondContact OD1-CB 3.47Å; D733-K735 PolarHBondContact OD1-N 2.91Å
734	G	95	Very high	91.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	75.3	8.4	-178.5	0	0	0	0	0	114.2	H411 S413 S731 M732	H411-G734 WeakPolarHBondContact CB-O 3.42Å; S413-G734 VanDerWaalsContact O-CA 3.24Å; S413-G734 WeakPolarHBondContact O-CA 3.48Å; S731-G734 PolarHBondContact O-N 3.16Å; S731-G734 VanDerWaalsContact O-N 3.14Å; M732-G734 VanDerWaalsContact C-N 3.3Å
735	K	96.8	Very high	90.6	Very high	56 Å²	56	27.8 Å²	27.8	24%	0.243	14%	0.143	C	C	.	.			trans	-88.7	136.2	177.1	-57	-49.4	-176.4	-173.9	0	111.6	E407 G409 A730 S731 D733	E407-K735 HydrophobicContact CG-CB 4.34Å; E407-K735 HydrophobicContact CG-CD 4.4Å; E407-K735 WeakPolarHBondContact OE1-CD 3.41Å; G409-K735 PolarHBondContact O-NZ 2.81Å; A730-K735 WeakPolarHBondContact CA-O 3.45Å; S731-K735 PolarHBondContact N-O 3.34Å; S731-K735 PolarHBondContact OG-O 3.02Å; S731-K735 VanDerWaalsContact OG-O 3.12Å; D733-K735 PolarHBondContact O-N 2.85Å; D733-K735 WeakPolarHBondContact OD1-CB 3.47Å; D733-K735 PolarHBondContact OD1-N 2.91Å
736	I	97.8	Very high	88.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.9	174	-50.3	177.9	0	0	0	107	Y408 I415 S429 W439 T729 A730	Y408-I736 HydrophobicContact CD1-CD1 4.24Å; Y408-I736 PolarHBondContact N-O 3.43Å; Y408-I736 PolarHBondContact O-N 3.11Å; I415-I736 HydrophobicContact CD1-CD1 4.09Å; I415-I736 HydrophobicContact CD1-CG1 4.22Å; I415-I736 HydrophobicContact CG1-CD1 4.26Å; I415-I736 HydrophobicContact CG1-CG1 4.02Å; S429-I736 WeakPolarHBondContact OG-CD1 3.42Å; W439-I736 HydrophobicContact CH2-CG2 4.33Å; W439-I736 HydrophobicContact CZ2-CB 4.39Å; W439-I736 HydrophobicContact CZ2-CD1 4.26Å; W439-I736 HydrophobicContact CZ2-CG2 4.01Å; T729-I736 CarbonylContact O-C 3.56Å; T729-I736 WeakPolarHBondContact O-CA 3.49Å; A730-I736 HydrophobicContact CB-CB 4.48Å; A730-I736 HydrophobicContact CB-CG1 3.95Å; A730-I736 HydrophobicContact CB-CG2 4.25Å
737	K	96.5	Very high	88.5	Confident	24 Å²	24	36.8 Å²	36.8	10%	0.104	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.7	173.8	-63.8	-177.2	-170.7	-115.1	0	110	Q405 E406 E407 G708 H709 L728 T729	Q405-K737 HydrophobicContact CG-CB 4.2Å; Q405-K737 HydrophobicContact CG-CD 4.45Å; E406-K737 VanDerWaalsContact O-CA 3.27Å; E406-K737 WeakPolarHBondContact O-CA 3.28Å; E407-K737 HydrophobicContact CB-CG 4.36Å; E407-K737 HydrophobicContact CG-CG 4.28Å; E407-K737 VanDerWaalsContact OE2-CE 3.26Å; E407-K737 WeakPolarHBondContact OE2-CE 3.49Å; E407-K737 IonicContact OE2-NZ 2.78Å; E407-K737 PolarHBondContact OE2-NZ 3.05Å; G708-K737 WeakPolarHBondContact O-CE 3.28Å; G708-K737 PolarHBondContact O-NZ 2.56Å; H709-K737 WeakPolarHBondContact NE2-CG 3.25Å; L728-K737 WeakPolarHBondContact CA-O 3.19Å; T729-K737 PolarHBondContact N-O 3.49Å; T729-K737 PolarHBondContact O-N 3.45Å
738	L	95.1	Very high	88.2	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.6	174.3	-174	153.8	0	0	0	106.7	Q405 E406 W439 F441 M445 T726 C727 L728	Q405-L738 CarbonylContact C-O 3.55Å; Q405-L738 VanDerWaalsContact CA-O 3.28Å; Q405-L738 WeakPolarHBondContact CA-O 3.31Å; E406-L738 PolarHBondContact N-O 3.08Å; E406-L738 PolarHBondContact O-N 3.46Å; W439-L738 HydrophobicContact CH2-CD1 4.37Å; W439-L738 HydrophobicContact CZ3-CD1 4.08Å; F441-L738 HydrophobicContact CB-CD1 3.48Å; F441-L738 VanDerWaalsContact CB-CD1 3.48Å; F441-L738 HydrophobicContact CD1-CD1 3.57Å; F441-L738 HydrophobicContact CD2-CD1 3.58Å; F441-L738 HydrophobicContact CD2-CD2 4.45Å; F441-L738 HydrophobicContact CE1-CD1 4.15Å; F441-L738 HydrophobicContact CE2-CD1 4.15Å; F441-L738 HydrophobicContact CG-CD1 3.25Å; F441-L738 HydrophobicContact CZ-CD1 4.4Å; M445-L738 HydrophobicContact CE-CB 3.55Å; M445-L738 HydrophobicContact CE-CD1 4.25Å; M445-L738 HydrophobicContact CE-CG 4.49Å; T726-L738 HydrophobicContact CG2-CD1 3.84Å; T726-L738 HydrophobicContact CG2-CD2 3.84Å; T726-L738 HydrophobicContact CG2-CG 3.63Å; C727-L738 WeakPolarHBondContact O-CA 3.45Å; L728-L738 HydrophobicContact CD2-CB 3.9Å; L728-L738 HydrophobicContact CD2-CD1 3.86Å; L728-L738 HydrophobicContact CD2-CG 3.82Å
739	S	93.8	Very high	87.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.9	-179.5	-47.4	0	0	0	0	108.7	Q405 C727	Q405-S739 PolarHBondContact NE2-OG 3.47Å; Q405-S739 VanDerWaalsContact NE2-OG 3.11Å; C727-S739 PolarHBondContact N-O 2.91Å; C727-S739 PolarHBondContact O-N 2.78Å
740	T	91	Very high	87.2	Confident	27 Å²	27	43.2 Å²	43.2	17%	0.166	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.4	-179.8	-52.7	0	0	0	0	109.3	L403 S404 C724	L403-T740 HydrophobicContact CB-CG2 4.46Å; L403-T740 HydrophobicContact CD1-CG2 4.29Å; L403-T740 PolarHBondContact N-O 2.8Å; S404-T740 PolarHBondContact O-N 3.06Å; S404-T740 WeakPolarHBondContact OG-CB 3.49Å; S404-T740 PolarHBondContact OG-OG1 2.99Å; C724-T740 HydrophobicContact CB-CG2 3.9Å
741	L	90.2	Very high	86.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135	-178.1	-54.8	-174.4	0	0	0	110.7	F400 I401 K402 I690 L704 L706 W718 C724 G725 C727	F400-L741 HydrophobicContact CB-CB 4.31Å; F400-L741 HydrophobicContact CB-CD1 4.26Å; F400-L741 HydrophobicContact CD1-CB 4.08Å; F400-L741 HydrophobicContact CD1-CD1 4.33Å; F400-L741 HydrophobicContact CG-CB 4.42Å; F400-L741 HydrophobicContact CG-CD1 4.13Å; I401-L741 CarbonylContact O-C 3.6Å; I401-L741 WeakPolarHBondContact O-CA 3.3Å; K402-L741 HydrophobicContact CB-CD2 3.98Å; K402-L741 HydrophobicContact CG-CD2 4.18Å; I690-L741 HydrophobicContact CD1-CD1 3.45Å; I690-L741 VanDerWaalsContact CD1-CD1 3.45Å; L704-L741 HydrophobicContact CD2-CD1 4.42Å; L704-L741 HydrophobicContact CD2-CD2 3.93Å; L706-L741 HydrophobicContact CD2-CD1 4.39Å; L706-L741 HydrophobicContact CD2-CD2 4.02Å; W718-L741 HydrophobicContact CZ2-CD1 4.05Å; C724-L741 CarbonylContact C-O 3.52Å; C724-L741 WeakPolarHBondContact CA-O 3.28Å; G725-L741 PolarHBondContact N-O 3.49Å; G725-L741 WeakPolarHBondContact O-CB 3.37Å; G725-L741 PolarHBondContact O-N 2.68Å; C727-L741 VanDerWaalsContact SG-CD1 3.53Å
742	L	85.8	Confident	85.9	Confident	68 Å²	68	49 Å²	49	36%	0.356	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.1	168	-178.6	66	0	0	0	108.9	F400 I401 L403 Q744	F400-L742 WeakPolarHBondContact CA-O 3.43Å; I401-L742 HydrophobicContact CB-CB 4.43Å; I401-L742 PolarHBondContact N-O 3.15Å; I401-L742 PolarHBondContact O-N 3.1Å; L403-L742 HydrophobicContact CD1-CB 3.92Å; L403-L742 HydrophobicContact CD2-CB 4.11Å; L403-L742 HydrophobicContact CD2-CD2 4.36Å; L403-L742 HydrophobicContact CG-CB 3.92Å; L742-Q744 PolarHBondContact O-N 3.38Å
743	A	81.8	Confident	85.2	Confident	52 Å²	52	52.4 Å²	52.4	43%	0.43	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.4	174.5	0	0	0	0	0	110.4	P399 F400 K745	P399-A743 CarbonylContact O-C 3.59Å; P399-A743 WeakPolarHBondContact O-CA 3.44Å; F400-A743 HydrophobicContact CD1-CB 4.28Å; F400-A743 HydrophobicContact CE1-CB 4.12Å; A743-K745 PolarHBondContact O-N 3.43Å
744	Q	74.9	Confident	84.5	Confident	96 Å²	96	52.5 Å²	52.5	45%	0.449	29%	0.29	S	S	.	.			trans	-77.5	112	167.9	-61.4	-163.4	19.8	0	0	108.4	Q398 P399 I401 L742	Q398-Q744 PolarHBondContact O-NE2 3.45Å; P399-Q744 PolarHBondContact O-N 2.71Å; I401-Q744 HydrophobicContact CD1-CG 4.03Å; I401-Q744 HydrophobicContact CG1-CG 3.84Å; I401-Q744 VanDerWaalsContact CG1-NE2 3.3Å; L742-Q744 PolarHBondContact O-N 3.38Å
745	K	57.7	Low	83.6	Confident	187 Å²	187	56.9 Å²	56.9	81%	0.813	31%	0.314	S	S	*	.			trans	-83.9	117.8	168.5	-67.2	-170.7	176	-173.9	0	108.9	A743	A743-K745 PolarHBondContact O-N 3.43Å
746	S	42.2	Very low	82.4	Confident	170 Å²	170	57 Å²	57	100%	1.189	32%	0.32	S	S	*	.			trans	-70.1	0	171.6	44.5	0	0	0	0	112.5

Retrieved 746 of 746 residues in 1303 ms (Link to these results)

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