A0A087XF16_POEFO Loading...

Serine/threonine-protein phosphatase with EF-hands

AlphaFold DB , UniProt , Accession A0A087XF16, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 716 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	45.8	Very low	253 Å²	253	152.7 Å²	152.7	100%	1.246	87%	0.871	S	S	*	*				0	113.6	0	-77.9	-167.7	-93.9	0	0	108.4
2	G	45.6	Very low	46.7	Very low	74 Å²	74	144.8 Å²	144.8	76%	0.763	83%	0.829	S	S	*	*			trans	-115.6	149.1	173.1	0	0	0	0	0	110.7
3	C	41.2	Very low	48.3	Very low	141 Å²	141	143 Å²	143	95%	0.953	82%	0.816	S	S	*	*			trans	175.8	127.5	152.2	-91.2	0	0	0	0	104.8
4	G	40.8	Very low	49.5	Very low	76 Å²	76	146.2 Å²	146.2	78%	0.784	82%	0.816	S	S	*	*			cis	115.2	59.3	27	0	0	0	0	0	109.6
5	M	43.7	Very low	50.8	Low	196 Å²	196	142.5 Å²	142.5	97%	0.966	80%	0.802	S	S	*	*			trans	-84.8	113.9	173.4	-82	-91.5	-105.5	0	0	109.5
6	G	41.4	Very low	52.4	Low	75 Å²	75	138.4 Å²	138.4	77%	0.773	78%	0.778	S	S	*	*			trans	-69.9	130.4	-168.6	0	0	0	0	0	114.6	S8	G6-S8 PolarHBondContact O-N 3.46Å
7	K	44.4	Very low	54	Low	203 Å²	203	137.8 Å²	137.8	88%	0.883	76%	0.76	S	S	*	*			trans	-75.1	109.6	158.6	-72.3	-179.2	177	178	0	108.2	R9	K7-R9 PolarHBondContact O-N 3.39Å
8	S	45.8	Very low	55.7	Low	113 Å²	113	133.4 Å²	133.4	79%	0.79	75%	0.745	S	S	*	*			trans	-64.9	97.7	166.8	45.6	0	0	0	0	109.4	G6 I10	G6-S8 PolarHBondContact O-N 3.46Å; S8-I10 PolarHBondContact O-N 3.02Å
9	R	48	Very low	57.3	Low	236 Å²	236	131.3 Å²	131.3	89%	0.891	73%	0.731	S	S	*	*			trans	-66	102.3	165.8	-89.9	-179.3	170.4	179.8	-2	108	K7 Q11	K7-R9 PolarHBondContact O-N 3.39Å; R9-Q11 PolarHBondContact O-N 3.42Å
10	I	58	Low	58.7	Low	158 Å²	158	133.4 Å²	133.4	81%	0.81	73%	0.727	S	S	*	*			trans	-57.5	106.9	163.3	-60.3	171.8	0	0	0	106.5	S8	S8-I10 PolarHBondContact O-N 3.02Å
11	Q	57.7	Low	60.1	Low	155 Å²	155	129.2 Å²	129.2	72%	0.724	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-65.9	125.9	173.4	-81.6	-171.7	1.3	0	0	108	R9 N13	R9-Q11 PolarHBondContact O-N 3.42Å; Q11-N13 PolarHBondContact O-N 3.2Å
12	P	56.6	Low	62.5	Low	57 Å²	57	119.3 Å²	119.3	37%	0.37	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-60.4	130.2	177.4	20.8	-28.4	0	0	0	109.3	R17	P12-R17 HydrophobicContact CB-CG 4.22Å; P12-R17 HydrophobicContact CG-CG 4.05Å; P12-R17 PolarHBondContact O-NE 3.09Å; P12-R17 PolarHBondContact O-NH2 3.41Å
13	N	67.4	Low	64.6	Low	122 Å²	122	120.7 Å²	120.7	65%	0.652	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-50.6	142.7	177.5	-106	-21.3	0	0	0	109.4	Q11 C15 D16 R17	Q11-N13 PolarHBondContact O-N 3.2Å; N13-C15 PolarHBondContact O-N 3.39Å; N13-D16 PolarHBondContact O-N 2.81Å; N13-R17 PolarHBondContact O-N 3.34Å
14	K	64.1	Low	67	Low	188 Å²	188	119.6 Å²	119.6	82%	0.817	64%	0.643	S	S	*	*	H	α-helix	trans	-51.8	-33.7	179.9	-84.7	-178.8	175.3	177.5	0	112	R17 A18	K14-R17 PolarHBondContact O-N 3.44Å; K14-A18 PolarHBondContact O-N 3.21Å
15	C	69.6	Low	69.4	Low	90 Å²	90	121.3 Å²	121.3	61%	0.608	63%	0.633	S	S	*	*	H	α-helix	trans	-63.2	-44.8	175.5	-134.3	0	0	0	0	112.8	N13 R17 A18 I19	N13-C15 PolarHBondContact O-N 3.39Å; C15-R17 VanDerWaalsContact C-N 3.35Å; C15-R17 PolarHBondContact O-N 3.5Å; C15-A18 PolarHBondContact O-N 3.46Å; C15-I19 WeakPolarHBondContact O-CG1 3.4Å; C15-I19 PolarHBondContact O-N 3.19Å
16	D	76.8	Confident	71.6	Confident	78 Å²	78	116.7 Å²	116.7	42%	0.417	61%	0.609	S	S	.	*	H	α-helix	trans	-66	-37	178.1	-71.8	-24.7	0	0	0	112.5	N13 R20	N13-D16 PolarHBondContact O-N 2.81Å; D16-R20 WeakPolarHBondContact O-CB 3.29Å; D16-R20 VanDerWaalsContact O-CG 3.25Å; D16-R20 WeakPolarHBondContact O-CG 3.25Å; D16-R20 PolarHBondContact O-N 2.98Å
17	R	80.1	Confident	74	Confident	127 Å²	127	121.1 Å²	121.1	48%	0.479	60%	0.602	S	S	.	*	H	α-helix	trans	-65.3	-41.4	173.9	-79.2	-173.9	-107.6	-172.4	-6.6	111.4	P12 N13 K14 C15 A21	P12-R17 HydrophobicContact CB-CG 4.22Å; P12-R17 HydrophobicContact CG-CG 4.05Å; P12-R17 PolarHBondContact O-NE 3.09Å; P12-R17 PolarHBondContact O-NH2 3.41Å; N13-R17 PolarHBondContact O-N 3.34Å; K14-R17 PolarHBondContact O-N 3.44Å; C15-R17 VanDerWaalsContact C-N 3.35Å; C15-R17 PolarHBondContact O-N 3.5Å; R17-A21 VanDerWaalsContact O-CB 3.31Å; R17-A21 WeakPolarHBondContact O-CB 3.21Å; R17-A21 PolarHBondContact O-N 2.99Å
18	A	82.9	Confident	76.3	Confident	59 Å²	59	118.1 Å²	118.1	49%	0.488	59%	0.586	S	S	.	*	H	α-helix	trans	-64.7	-43.9	176.5	0	0	0	0	0	112.1	K14 C15 A21 A22	K14-A18 PolarHBondContact O-N 3.21Å; C15-A18 PolarHBondContact O-N 3.46Å; A18-A21 PolarHBondContact O-N 2.86Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.14Å
19	I	86.3	Confident	78.3	Confident	93 Å²	93	119.3 Å²	119.3	48%	0.477	57%	0.574	S	S	.	*	H	α-helix	trans	-63.7	-45	177.4	-67.3	166	0	0	0	110.9	C15 A21 A22 L23	C15-I19 WeakPolarHBondContact O-CG1 3.4Å; C15-I19 PolarHBondContact O-N 3.19Å; I19-A21 PolarHBondContact O-N 3.1Å; I19-A22 PolarHBondContact O-N 3.18Å; I19-L23 HydrophobicContact CG2-CD1 4.25Å; I19-L23 WeakPolarHBondContact O-CG 3.28Å; I19-L23 PolarHBondContact O-N 3.3Å
20	R	85.8	Confident	80.2	Confident	173 Å²	173	116.7 Å²	116.7	65%	0.653	56%	0.564	S	S	*	*	H	α-helix	trans	-62.6	-41.6	176	-72.6	176.9	-173.9	-151.9	2.3	112.1	D16 L23 L24	D16-R20 WeakPolarHBondContact O-CB 3.29Å; D16-R20 VanDerWaalsContact O-CG 3.25Å; D16-R20 WeakPolarHBondContact O-CG 3.25Å; D16-R20 PolarHBondContact O-N 2.98Å; R20-L23 PolarHBondContact O-N 2.89Å; R20-L24 VanDerWaalsContact O-CG 3.32Å; R20-L24 WeakPolarHBondContact O-CG 3.33Å; R20-L24 PolarHBondContact O-N 3.47Å
21	A	87.4	Confident	81.7	Confident	46 Å²	46	113.7 Å²	113.7	38%	0.38	55%	0.546	S	S	.	.	H	α-helix	trans	-62.7	-44.3	175	0	0	0	0	0	111.5	R17 A18 I19 L23 L24 I25	R17-A21 VanDerWaalsContact O-CB 3.31Å; R17-A21 WeakPolarHBondContact O-CB 3.21Å; R17-A21 PolarHBondContact O-N 2.99Å; A18-A21 PolarHBondContact O-N 2.86Å; I19-A21 PolarHBondContact O-N 3.1Å; A21-L23 PolarHBondContact O-N 3.17Å; A21-L24 PolarHBondContact O-N 3.44Å; A21-I25 VanDerWaalsContact O-CG1 3.25Å; A21-I25 WeakPolarHBondContact O-CG1 3.41Å; A21-I25 PolarHBondContact O-N 3.39Å
22	A	89.2	Confident	83	Confident	46 Å²	46	109.1 Å²	109.1	38%	0.38	52%	0.523	S	S	.	.	H	α-helix	trans	-60.6	-44.5	177.2	0	0	0	0	0	112.1	A18 I19 L24 I25 Q26	A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.14Å; I19-A22 PolarHBondContact O-N 3.18Å; A22-L24 PolarHBondContact O-N 3.41Å; A22-I25 PolarHBondContact O-N 3.06Å; A22-Q26 WeakPolarHBondContact O-CB 3.4Å; A22-Q26 VanDerWaalsContact O-CG 3.32Å; A22-Q26 WeakPolarHBondContact O-CG 3.5Å; A22-Q26 PolarHBondContact O-N 2.98Å
23	L	90.1	Very high	84.2	Confident	103 Å²	103	109.3 Å²	109.3	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-63.5	-39.7	176.2	-71.4	172.8	0	0	0	112.4	I19 R20 A21 Q26 R27	I19-L23 HydrophobicContact CG2-CD1 4.25Å; I19-L23 WeakPolarHBondContact O-CG 3.28Å; I19-L23 PolarHBondContact O-N 3.3Å; R20-L23 PolarHBondContact O-N 2.89Å; A21-L23 PolarHBondContact O-N 3.17Å; L23-Q26 PolarHBondContact O-N 3.49Å; L23-R27 WeakPolarHBondContact O-CB 3.4Å; L23-R27 PolarHBondContact O-N 2.87Å
24	L	91.4	Very high	85	Confident	118 Å²	118	106.4 Å²	106.4	62%	0.618	52%	0.516	S	S	*	.	H	α-helix	trans	-65.1	-43.2	175.2	-73.2	171.7	0	0	0	111.7	R20 A21 A22 R27 W28	R20-L24 VanDerWaalsContact O-CG 3.32Å; R20-L24 WeakPolarHBondContact O-CG 3.33Å; R20-L24 PolarHBondContact O-N 3.47Å; A21-L24 PolarHBondContact O-N 3.44Å; A22-L24 PolarHBondContact O-N 3.41Å; L24-R27 PolarHBondContact O-N 3.04Å; L24-W28 VanDerWaalsContact O-CB 3.28Å; L24-W28 WeakPolarHBondContact O-CB 3.49Å; L24-W28 PolarHBondContact O-N 3Å
25	I	91.3	Very high	86	Confident	112 Å²	112	104.3 Å²	104.3	57%	0.574	50%	0.503	S	S	*	.	H	α-helix	trans	-63	-45.8	176.1	-68.3	164.1	0	0	0	110.4	A21 A22 R27 W28 Y29	A21-I25 VanDerWaalsContact O-CG1 3.25Å; A21-I25 WeakPolarHBondContact O-CG1 3.41Å; A21-I25 PolarHBondContact O-N 3.39Å; A22-I25 PolarHBondContact O-N 3.06Å; I25-R27 PolarHBondContact O-N 3.07Å; I25-W28 PolarHBondContact O-N 3.44Å; I25-Y29 VanDerWaalsContact O-CB 3.22Å; I25-Y29 WeakPolarHBondContact O-CB 3.41Å; I25-Y29 PolarHBondContact O-N 3.35Å
26	Q	89.2	Confident	86.6	Confident	99 Å²	99	100.5 Å²	100.5	46%	0.463	48%	0.476	S	S	.	.	H	α-helix	trans	-62	-44	177.2	-75.9	-179.7	-7.6	0	0	111.9	A22 L23 Y29 R30	A22-Q26 WeakPolarHBondContact O-CB 3.4Å; A22-Q26 VanDerWaalsContact O-CG 3.32Å; A22-Q26 WeakPolarHBondContact O-CG 3.5Å; A22-Q26 PolarHBondContact O-N 2.98Å; L23-Q26 PolarHBondContact O-N 3.49Å; Q26-Y29 PolarHBondContact O-N 3.01Å; Q26-R30 WeakPolarHBondContact O-CB 3.49Å; Q26-R30 VanDerWaalsContact O-CG 3.32Å; Q26-R30 WeakPolarHBondContact O-CG 3.35Å; Q26-R30 PolarHBondContact O-N 3.44Å
27	R	91.5	Very high	86.9	Confident	167 Å²	167	99.2 Å²	99.2	63%	0.63	47%	0.468	S	S	*	.	H	α-helix	trans	-63.2	-47.2	176.9	-176.2	178.1	179.9	177.8	1.9	111.2	L23 L24 I25 Y29 R30 Q31	L23-R27 WeakPolarHBondContact O-CB 3.4Å; L23-R27 PolarHBondContact O-N 2.87Å; L24-R27 PolarHBondContact O-N 3.04Å; I25-R27 PolarHBondContact O-N 3.07Å; R27-Y29 VanDerWaalsContact C-N 3.33Å; R27-Y29 PolarHBondContact O-N 3.01Å; R27-R30 PolarHBondContact O-N 2.9Å; R27-Q31 WeakPolarHBondContact O-CB 3.49Å; R27-Q31 WeakPolarHBondContact O-CG 3.44Å; R27-Q31 PolarHBondContact O-N 3.44Å
28	W	92.4	Very high	87	Confident	141 Å²	141	96.9 Å²	96.9	53%	0.534	46%	0.463	S	S	.	.	H	α-helix	trans	-60.1	-44.3	176.2	176.9	90.4	0	0	0	111.2	L24 I25 Q31 Y32	L24-W28 VanDerWaalsContact O-CB 3.28Å; L24-W28 WeakPolarHBondContact O-CB 3.49Å; L24-W28 PolarHBondContact O-N 3Å; I25-W28 PolarHBondContact O-N 3.44Å; W28-Q31 PolarHBondContact O-N 2.73Å; W28-Y32 HydrophobicContact CH2-CD2 4.4Å; W28-Y32 HydrophobicContact CH2-CG 4.26Å; W28-Y32 HydrophobicContact CZ2-CD2 4.36Å; W28-Y32 HydrophobicContact CZ2-CG 4.49Å; W28-Y32 VanDerWaalsContact O-CB 3.22Å; W28-Y32 WeakPolarHBondContact O-CB 3.24Å; W28-Y32 PolarHBondContact O-N 2.82Å
29	Y	88.4	Confident	87.1	Confident	138 Å²	138	98.4 Å²	98.4	54%	0.541	46%	0.456	S	S	.	.	H	α-helix	trans	-63.6	-46.9	179.1	-179	-102.2	0	0	0	111.7	I25 Q26 R27 Q31 Y32 V33	I25-Y29 VanDerWaalsContact O-CB 3.22Å; I25-Y29 WeakPolarHBondContact O-CB 3.41Å; I25-Y29 PolarHBondContact O-N 3.35Å; Q26-Y29 PolarHBondContact O-N 3.01Å; R27-Y29 VanDerWaalsContact C-N 3.33Å; R27-Y29 PolarHBondContact O-N 3.01Å; Y29-Q31 VanDerWaalsContact C-N 3.34Å; Y29-Q31 PolarHBondContact O-N 2.98Å; Y29-Y32 WeakPolarHBondContact O-CB 3.45Å; Y29-Y32 PolarHBondContact O-N 3.48Å; Y29-Y32 VanDerWaalsContact O-N 3.14Å; Y29-V33 HydrophobicContact CD1-CG2 4.15Å; Y29-V33 HydrophobicContact CD2-CG2 4.3Å; Y29-V33 HydrophobicContact CE1-CG2 3.74Å; Y29-V33 HydrophobicContact CE2-CG2 3.91Å; Y29-V33 HydrophobicContact CG-CG2 4.41Å; Y29-V33 WeakPolarHBondContact O-CG2 3.32Å; Y29-V33 PolarHBondContact O-N 3.31Å
30	R	88.6	Confident	86.9	Confident	181 Å²	181	96.1 Å²	96.1	68%	0.683	44%	0.442	S	S	*	.	H	α-helix	trans	-58.6	-45	174.8	-72.5	176.8	-173.9	179	3.2	111.7	Q26 R27 Y32 V33 A34	Q26-R30 WeakPolarHBondContact O-CB 3.49Å; Q26-R30 VanDerWaalsContact O-CG 3.32Å; Q26-R30 WeakPolarHBondContact O-CG 3.35Å; Q26-R30 PolarHBondContact O-N 3.44Å; R27-R30 PolarHBondContact O-N 2.9Å; R30-Y32 VanDerWaalsContact C-N 3.32Å; R30-Y32 PolarHBondContact O-N 3.43Å; R30-V33 PolarHBondContact O-N 3.15Å; R30-A34 VanDerWaalsContact O-CB 3.29Å; R30-A34 WeakPolarHBondContact O-CB 3.45Å; R30-A34 PolarHBondContact O-N 3.04Å
31	Q	87.9	Confident	86.8	Confident	95 Å²	95	93.9 Å²	93.9	44%	0.444	43%	0.433	S	S	.	.	H	α-helix	trans	-66.1	-34.2	176.1	-73.4	178.6	-19.6	0	0	112.8	R27 W28 Y29 R35	R27-Q31 WeakPolarHBondContact O-CB 3.49Å; R27-Q31 WeakPolarHBondContact O-CG 3.44Å; R27-Q31 PolarHBondContact O-N 3.44Å; W28-Q31 PolarHBondContact O-N 2.73Å; Y29-Q31 VanDerWaalsContact C-N 3.34Å; Y29-Q31 PolarHBondContact O-N 2.98Å; Q31-R35 WeakPolarHBondContact O-CB 3.26Å; Q31-R35 VanDerWaalsContact O-CG 3.28Å; Q31-R35 WeakPolarHBondContact O-CG 3.01Å; Q31-R35 PolarHBondContact O-N 3.24Å; Q31-R35 VanDerWaalsContact O-N 3.13Å; Q31-R35 PolarHBondContact O-NE 2.81Å; Q31-R35 VanDerWaalsContact O-NE 3.15Å
32	Y	85.1	Confident	86.6	Confident	59 Å²	59	92.2 Å²	92.2	23%	0.231	42%	0.419	C	S	.	.	H	α-helix	trans	-69.3	-47.4	176.5	173	-101	0	0	0	111.3	W28 Y29 R30 R35 L36 R534	W28-Y32 HydrophobicContact CH2-CD2 4.4Å; W28-Y32 HydrophobicContact CH2-CG 4.26Å; W28-Y32 HydrophobicContact CZ2-CD2 4.36Å; W28-Y32 HydrophobicContact CZ2-CG 4.49Å; W28-Y32 VanDerWaalsContact O-CB 3.22Å; W28-Y32 WeakPolarHBondContact O-CB 3.24Å; W28-Y32 PolarHBondContact O-N 2.82Å; Y29-Y32 WeakPolarHBondContact O-CB 3.45Å; Y29-Y32 PolarHBondContact O-N 3.48Å; Y29-Y32 VanDerWaalsContact O-N 3.14Å; R30-Y32 VanDerWaalsContact C-N 3.32Å; R30-Y32 PolarHBondContact O-N 3.43Å; Y32-R35 PolarHBondContact O-N 3.28Å; Y32-L36 HydrophobicContact CD1-CD1 3.98Å; Y32-L36 HydrophobicContact CE1-CD1 3.32Å; Y32-L36 HydrophobicContact CE1-CG 4.27Å; Y32-L36 HydrophobicContact CE2-CD1 4.19Å; Y32-L36 HydrophobicContact CE2-CG 4.38Å; Y32-L36 VanDerWaalsContact CZ-CD1 3.44Å; Y32-L36 PolarHBondContact O-N 3.24Å; Y32-R534 WeakPolarHBondContact OH-CD 3.46Å
33	V	83.6	Confident	86.5	Confident	61 Å²	61	90.3 Å²	90.3	37%	0.37	40%	0.402	S	S	.	.	H	α-helix	trans	-61.8	-46.4	175.9	173.2	0	0	0	0	110.8	Y29 R30 R35 L36 E37	Y29-V33 HydrophobicContact CD1-CG2 4.15Å; Y29-V33 HydrophobicContact CD2-CG2 4.3Å; Y29-V33 HydrophobicContact CE1-CG2 3.74Å; Y29-V33 HydrophobicContact CE2-CG2 3.91Å; Y29-V33 HydrophobicContact CG-CG2 4.41Å; Y29-V33 WeakPolarHBondContact O-CG2 3.32Å; Y29-V33 PolarHBondContact O-N 3.31Å; R30-V33 PolarHBondContact O-N 3.15Å; V33-R35 VanDerWaalsContact C-N 3.31Å; V33-R35 PolarHBondContact O-N 3.4Å; V33-L36 PolarHBondContact O-N 3.1Å; V33-E37 WeakPolarHBondContact O-CB 3.44Å; V33-E37 PolarHBondContact O-N 3.09Å
34	A	83.7	Confident	86.2	Confident	61 Å²	61	86.8 Å²	86.8	50%	0.504	38%	0.382	S	S	.	.	H	α-helix	trans	-59.5	-39.8	177	0	0	0	0	0	112.6	R30 E37 M38	R30-A34 VanDerWaalsContact O-CB 3.29Å; R30-A34 WeakPolarHBondContact O-CB 3.45Å; R30-A34 PolarHBondContact O-N 3.04Å; A34-E37 PolarHBondContact O-N 3.37Å; A34-M38 WeakPolarHBondContact O-CB 3.33Å; A34-M38 PolarHBondContact O-N 3.03Å
35	R	84	Confident	86	Confident	143 Å²	143	84.4 Å²	84.4	54%	0.54	37%	0.37	S	S	.	.	H	α-helix	trans	-67.7	-40.2	175.5	-79.2	-177.4	-70.5	171	-3.8	112.8	Q31 Y32 V33 E37 R39	Q31-R35 WeakPolarHBondContact O-CB 3.26Å; Q31-R35 VanDerWaalsContact O-CG 3.28Å; Q31-R35 WeakPolarHBondContact O-CG 3.01Å; Q31-R35 PolarHBondContact O-N 3.24Å; Q31-R35 VanDerWaalsContact O-N 3.13Å; Q31-R35 PolarHBondContact O-NE 2.81Å; Q31-R35 VanDerWaalsContact O-NE 3.15Å; Y32-R35 PolarHBondContact O-N 3.28Å; V33-R35 VanDerWaalsContact C-N 3.31Å; V33-R35 PolarHBondContact O-N 3.4Å; R35-E37 VanDerWaalsContact C-N 3.35Å; R35-R39 WeakPolarHBondContact O-CG 3.11Å; R35-R39 PolarHBondContact O-N 3.14Å; R35-R39 VanDerWaalsContact O-N 3.09Å
36	L	82.4	Confident	85.7	Confident	11 Å²	11	79.1 Å²	79.1	6%	0.058	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-44.5	174.6	-82.5	175.3	0	0	0	111.2	Y32 V33 R39 R40 R534 V537	Y32-L36 HydrophobicContact CD1-CD1 3.98Å; Y32-L36 HydrophobicContact CE1-CD1 3.32Å; Y32-L36 HydrophobicContact CE1-CG 4.27Å; Y32-L36 HydrophobicContact CE2-CD1 4.19Å; Y32-L36 HydrophobicContact CE2-CG 4.38Å; Y32-L36 VanDerWaalsContact CZ-CD1 3.44Å; Y32-L36 PolarHBondContact O-N 3.24Å; V33-L36 PolarHBondContact O-N 3.1Å; L36-R39 PolarHBondContact O-N 3.05Å; L36-R40 WeakPolarHBondContact O-CB 3.3Å; L36-R40 PolarHBondContact O-N 3.44Å; L36-R534 HydrophobicContact CD2-CB 4.49Å; L36-R534 HydrophobicContact CD2-CG 4.4Å; L36-V537 HydrophobicContact CD2-CG1 4.5Å
37	E	84.1	Confident	85.6	Confident	50 Å²	50	75.2 Å²	75.2	23%	0.234	32%	0.324	C	S	.	.	H	α-helix	trans	-66	-41.6	179.4	-175.6	53.7	-152	0	0	111.6	V33 A34 R35 R39 R40 R41	V33-E37 WeakPolarHBondContact O-CB 3.44Å; V33-E37 PolarHBondContact O-N 3.09Å; A34-E37 PolarHBondContact O-N 3.37Å; R35-E37 VanDerWaalsContact C-N 3.35Å; E37-R39 VanDerWaalsContact C-N 3.34Å; E37-R39 PolarHBondContact O-N 3.11Å; E37-R40 WeakPolarHBondContact O-CB 3.37Å; E37-R40 PolarHBondContact O-N 3.38Å; E37-R40 IonicContact OE2-NH1 2.6Å; E37-R41 WeakPolarHBondContact O-CG 3.26Å; E37-R41 PolarHBondContact O-N 3.31Å; E37-R41 IonicContact OE1-CZ 3.83Å; E37-R41 IonicContact OE1-NE 2.85Å; E37-R41 PolarHBondContact OE1-NE 2.7Å; E37-R41 IonicContact OE1-NH2 2.66Å
38	M	82.5	Confident	85.4	Confident	79 Å²	79	69.5 Å²	69.5	39%	0.389	31%	0.305	S	S	.	.	H	α-helix	trans	-59.2	-44.1	173.6	-177.1	61.4	-165.9	0	0	112.1	A34 R41 C42 V595	A34-M38 WeakPolarHBondContact O-CB 3.33Å; A34-M38 PolarHBondContact O-N 3.03Å; M38-R41 PolarHBondContact O-N 3.16Å; M38-C42 WeakPolarHBondContact O-CB 3.49Å; M38-C42 PolarHBondContact O-N 2.66Å; M38-V595 HydrophobicContact CE-CG1 4.47Å
39	R	84.5	Confident	85	Confident	90 Å²	90	64 Å²	64	34%	0.34	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-46.3	175.8	-74.8	170.7	67.8	-164.1	3.7	111.1	R35 L36 E37 R41 C42 T43 V537 E541	R35-R39 WeakPolarHBondContact O-CG 3.11Å; R35-R39 PolarHBondContact O-N 3.14Å; R35-R39 VanDerWaalsContact O-N 3.09Å; L36-R39 PolarHBondContact O-N 3.05Å; E37-R39 VanDerWaalsContact C-N 3.34Å; E37-R39 PolarHBondContact O-N 3.11Å; R39-R41 PolarHBondContact O-N 2.94Å; R39-C42 PolarHBondContact O-N 3.19Å; R39-T43 WeakPolarHBondContact O-CB 3.48Å; R39-T43 PolarHBondContact O-N 3Å; R39-T43 PolarHBondContact O-OG1 3Å; R39-V537 HydrophobicContact CB-CG1 4.13Å; R39-E541 IonicContact CZ-OE1 3.09Å; R39-E541 IonicContact CZ-OE2 3.05Å; R39-E541 IonicContact NE-OE1 3.81Å; R39-E541 PolarHBondContact NE-OE1 3.27Å; R39-E541 IonicContact NE-OE2 3.8Å; R39-E541 PolarHBondContact NE-OE2 3.23Å; R39-E541 IonicContact NH2-OE1 3.55Å; R39-E541 IonicContact NH2-OE2 2.65Å; R39-E541 PolarHBondContact NH2-OE2 3.16Å
40	R	82.4	Confident	84.6	Confident	46 Å²	46	58.8 Å²	58.8	17%	0.174	27%	0.269	C	S	.	.	H	α-helix	trans	-57.7	-45.4	178	-165.9	-178.3	-176.1	-150.1	-4.9	111.8	L36 E37 T43 W44 Q478 V537	L36-R40 WeakPolarHBondContact O-CB 3.3Å; L36-R40 PolarHBondContact O-N 3.44Å; E37-R40 WeakPolarHBondContact O-CB 3.37Å; E37-R40 PolarHBondContact O-N 3.38Å; E37-R40 IonicContact OE2-NH1 2.6Å; R40-T43 PolarHBondContact O-N 3.38Å; R40-W44 WeakPolarHBondContact O-CB 3.22Å; R40-W44 PolarHBondContact O-N 3.28Å; R40-Q478 VanDerWaalsContact CD-NE2 3.3Å; R40-Q478 VanDerWaalsContact NH1-CD 3.28Å; R40-Q478 VanDerWaalsContact NH2-CD 3.32Å; R40-V537 HydrophobicContact CB-CG1 4.44Å; R40-V537 HydrophobicContact CB-CG2 4.06Å; R40-V537 HydrophobicContact CG-CG2 4.04Å
41	R	82.8	Confident	84.2	Confident	126 Å²	126	51.1 Å²	51.1	48%	0.475	24%	0.241	S	C	.	.	H	α-helix	trans	-65.4	-40.6	174.9	-70.2	177.2	-174.4	-162.2	-4.4	112.7	E37 M38 R39 W44 N45	E37-R41 WeakPolarHBondContact O-CG 3.26Å; E37-R41 PolarHBondContact O-N 3.31Å; E37-R41 IonicContact OE1-CZ 3.83Å; E37-R41 IonicContact OE1-NE 2.85Å; E37-R41 PolarHBondContact OE1-NE 2.7Å; E37-R41 IonicContact OE1-NH2 2.66Å; M38-R41 PolarHBondContact O-N 3.16Å; R39-R41 PolarHBondContact O-N 2.94Å; R41-W44 WeakPolarHBondContact O-CB 3.44Å; R41-W44 PolarHBondContact O-N 3.22Å; R41-N45 PolarHBondContact O-N 2.88Å; R41-N45 PolarHBondContact O-OD1 3.2Å
42	C	84.4	Confident	83.8	Confident	11 Å²	11	47.2 Å²	47.2	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-43.3	177.2	-162.5	0	0	0	0	111.6	M38 R39 W44 N45 I46 L596	M38-C42 WeakPolarHBondContact O-CB 3.49Å; M38-C42 PolarHBondContact O-N 2.66Å; R39-C42 PolarHBondContact O-N 3.19Å; C42-W44 VanDerWaalsContact C-N 3.33Å; C42-N45 PolarHBondContact O-N 2.91Å; C42-I46 WeakPolarHBondContact O-CG1 3.2Å; C42-I46 PolarHBondContact O-N 3.31Å; C42-I46 VanDerWaalsContact O-N 3.13Å; C42-L596 WeakPolarHBondContact SG-CD2 3.46Å
43	T	85.9	Confident	83.1	Confident	6 Å²	6	45.6 Å²	45.6	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-44.7	172.7	-62.5	0	0	0	0	111.4	R39 R40 I46 F47 T540 E541 A544	R39-T43 WeakPolarHBondContact O-CB 3.48Å; R39-T43 PolarHBondContact O-N 3Å; R39-T43 PolarHBondContact O-OG1 3Å; R40-T43 PolarHBondContact O-N 3.38Å; T43-I46 PolarHBondContact O-N 2.98Å; T43-F47 HydrophobicContact CG2-CD2 4.2Å; T43-F47 HydrophobicContact CG2-CE2 3.88Å; T43-F47 WeakPolarHBondContact O-CD2 3.32Å; T43-F47 PolarHBondContact O-N 3.09Å; T43-T540 WeakPolarHBondContact CG2-O 3.32Å; T43-E541 WeakPolarHBondContact OG1-CA 3.38Å; T43-E541 WeakPolarHBondContact OG1-CB 3.21Å; T43-A544 HydrophobicContact CG2-CB 3.71Å
44	W	84.6	Confident	82.1	Confident	28 Å²	28	43.3 Å²	43.3	11%	0.106	21%	0.21	C	C	.	.	H	α-helix	trans	-58	-51	175.7	-170.9	-89.1	0	0	0	112.4	R40 R41 C42 I46 F47 Q48 C476 Q478 Y499 N504	R40-W44 WeakPolarHBondContact O-CB 3.22Å; R40-W44 PolarHBondContact O-N 3.28Å; R41-W44 WeakPolarHBondContact O-CB 3.44Å; R41-W44 PolarHBondContact O-N 3.22Å; C42-W44 VanDerWaalsContact C-N 3.33Å; W44-I46 PolarHBondContact O-N 3.09Å; W44-F47 PolarHBondContact O-N 3.25Å; W44-F47 VanDerWaalsContact O-N 3.1Å; W44-Q48 PolarHBondContact O-N 2.99Å; W44-C476 HydrophobicContact CH2-CB 4.2Å; W44-C476 WeakPolarHBondContact CH2-SG 3.44Å; W44-C476 HydrophobicContact CZ2-CB 4.02Å; W44-C476 VanDerWaalsContact CZ2-O 3.31Å; W44-C476 WeakPolarHBondContact CZ2-O 3.27Å; W44-Q478 HydrophobicContact CH2-CB 4.41Å; W44-Q478 HydrophobicContact CZ3-CB 4.29Å; W44-Y499 HydrophobicContact CH2-CE2 4.13Å; W44-Y499 HydrophobicContact CZ2-CE2 4.16Å; W44-Y499 HydrophobicContact CZ3-CD2 4.39Å; W44-Y499 HydrophobicContact CZ3-CE2 4.36Å; W44-N504 HydrophobicContact CH2-CB 3.73Å; W44-N504 HydrophobicContact CZ3-CB 3.75Å
45	N	86.7	Confident	81.3	Confident	68 Å²	68	40.7 Å²	40.7	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-59	-35.6	-179.7	-69.5	-4.6	0	0	0	112	R41 C42 S49 L591	R41-N45 PolarHBondContact O-N 2.88Å; R41-N45 PolarHBondContact O-OD1 3.2Å; C42-N45 PolarHBondContact O-N 2.91Å; N45-S49 VanDerWaalsContact O-CB 3.23Å; N45-S49 WeakPolarHBondContact O-CB 3.37Å; N45-S49 PolarHBondContact O-N 3.05Å; N45-S49 PolarHBondContact O-OG 3.28Å; N45-L591 HydrophobicContact CB-CD2 4.27Å
46	I	86.2	Confident	80.4	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-53.4	174.6	-67.4	166.7	0	0	0	110.6	C42 T43 W44 Q48 S49 I50 A544 L545 L548 L591 L596	C42-I46 WeakPolarHBondContact O-CG1 3.2Å; C42-I46 PolarHBondContact O-N 3.31Å; C42-I46 VanDerWaalsContact O-N 3.13Å; T43-I46 PolarHBondContact O-N 2.98Å; W44-I46 PolarHBondContact O-N 3.09Å; I46-Q48 PolarHBondContact O-N 3.35Å; I46-S49 PolarHBondContact O-N 3.27Å; I46-I50 HydrophobicContact CG2-CD1 3.71Å; I46-I50 HydrophobicContact CG2-CG1 4.49Å; I46-I50 VanDerWaalsContact O-CG1 3.27Å; I46-I50 WeakPolarHBondContact O-CG1 3.4Å; I46-I50 PolarHBondContact O-N 3.18Å; I46-A544 HydrophobicContact CB-CB 4.18Å; I46-A544 HydrophobicContact CD1-CB 4.26Å; I46-A544 HydrophobicContact CG2-CB 4.02Å; I46-L545 HydrophobicContact CD1-CD2 4.4Å; I46-L548 HydrophobicContact CD1-CD2 4.12Å; I46-L548 HydrophobicContact CG1-CD2 4.27Å; I46-L548 HydrophobicContact CG2-CB 3.96Å; I46-L548 HydrophobicContact CG2-CD1 4.47Å; I46-L548 HydrophobicContact CG2-CD2 4.41Å; I46-L591 HydrophobicContact CG1-CD1 4.2Å; I46-L591 HydrophobicContact CG1-CD2 4.1Å; I46-L596 HydrophobicContact CD1-CD1 4.24Å; I46-L596 HydrophobicContact CD1-CD2 3.88Å; I46-L596 HydrophobicContact CG1-CD1 4.29Å
47	F	86.6	Confident	79.5	Confident	18 Å²	18	39 Å²	39	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-49.4	-178.3	-76.5	-55.8	0	0	0	112.1	T43 W44 S49 I50 E51 Y499 E500 A544	T43-F47 HydrophobicContact CG2-CD2 4.2Å; T43-F47 HydrophobicContact CG2-CE2 3.88Å; T43-F47 WeakPolarHBondContact O-CD2 3.32Å; T43-F47 PolarHBondContact O-N 3.09Å; W44-F47 PolarHBondContact O-N 3.25Å; W44-F47 VanDerWaalsContact O-N 3.1Å; F47-S49 VanDerWaalsContact C-N 3.35Å; F47-S49 PolarHBondContact O-N 3.49Å; F47-I50 PolarHBondContact O-N 3.25Å; F47-E51 WeakPolarHBondContact O-CB 3.39Å; F47-E51 PolarHBondContact O-N 3.01Å; F47-Y499 HydrophobicContact CB-CD1 3.7Å; F47-Y499 HydrophobicContact CB-CD2 3.77Å; F47-Y499 HydrophobicContact CB-CE1 3.85Å; F47-Y499 HydrophobicContact CB-CE2 3.9Å; F47-Y499 HydrophobicContact CB-CG 3.65Å; F47-Y499 HydrophobicContact CD1-CD1 4.13Å; F47-Y499 HydrophobicContact CD1-CG 4.06Å; F47-Y499 HydrophobicContact CD2-CD2 4.17Å; F47-Y499 HydrophobicContact CD2-CG 4.05Å; F47-Y499 HydrophobicContact CG-CD1 4.01Å; F47-Y499 HydrophobicContact CG-CD2 4.07Å; F47-Y499 AromaticContact CG-CG 3.69Å; F47-Y499 HydrophobicContact CG-CG 3.69Å; F47-E500 HydrophobicContact CZ-CB 4.28Å; F47-A544 HydrophobicContact CD1-CB 4.46Å; F47-A544 HydrophobicContact CD2-CB 4.07Å; F47-A544 HydrophobicContact CE1-CB 4.07Å; F47-A544 HydrophobicContact CE2-CB 3.65Å; F47-A544 HydrophobicContact CG-CB 4.46Å; F47-A544 HydrophobicContact CZ-CB 3.66Å
48	Q	86	Confident	78.4	Confident	46 Å²	46	37 Å²	37	22%	0.215	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-42.2	-179.4	-173.5	177.9	-18.8	0	0	111.8	W44 I46 E51 Y52	W44-Q48 PolarHBondContact O-N 2.99Å; I46-Q48 PolarHBondContact O-N 3.35Å; Q48-E51 PolarHBondContact O-N 3.33Å; Q48-Y52 HydrophobicContact CG-CD1 4.43Å; Q48-Y52 HydrophobicContact CG-CD2 4.13Å; Q48-Y52 HydrophobicContact CG-CE1 3.87Å; Q48-Y52 HydrophobicContact CG-CE2 3.59Å; Q48-Y52 VanDerWaalsContact CG-CZ 3.46Å; Q48-Y52 VanDerWaalsContact NE2-CE2 3.27Å; Q48-Y52 VanDerWaalsContact NE2-CZ 3.33Å; Q48-Y52 PolarHBondContact NE2-OH 3.14Å; Q48-Y52 WeakPolarHBondContact O-CD1 3.47Å; Q48-Y52 VanDerWaalsContact O-CG 3.28Å; Q48-Y52 PolarHBondContact O-N 3.05Å
49	S	84.7	Confident	77.4	Confident	25 Å²	25	33.8 Å²	33.8	18%	0.175	16%	0.162	C	C	.	.	H	α-helix	trans	-68.3	-38.8	-179.3	-52.2	0	0	0	0	112.1	N45 I46 F47 A53 L589	N45-S49 VanDerWaalsContact O-CB 3.23Å; N45-S49 WeakPolarHBondContact O-CB 3.37Å; N45-S49 PolarHBondContact O-N 3.05Å; N45-S49 PolarHBondContact O-OG 3.28Å; I46-S49 PolarHBondContact O-N 3.27Å; F47-S49 VanDerWaalsContact C-N 3.35Å; F47-S49 PolarHBondContact O-N 3.49Å; S49-A53 WeakPolarHBondContact O-CB 3.45Å; S49-A53 PolarHBondContact O-N 2.97Å; S49-L589 VanDerWaalsContact CB-O 3.28Å; S49-L589 WeakPolarHBondContact CB-O 3.34Å; S49-L589 WeakPolarHBondContact O-CD2 3.34Å; S49-L589 PolarHBondContact OG-O 2.82Å; S49-L589 VanDerWaalsContact OG-O 3.11Å
50	I	79.8	Confident	76.2	Confident	30 Å²	30	34.3 Å²	34.3	15%	0.154	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-42.5	175.8	-68.2	172.3	0	0	0	110.5	I46 F47 G54 A547 L548 Q551 L589	I46-I50 HydrophobicContact CG2-CD1 3.71Å; I46-I50 HydrophobicContact CG2-CG1 4.49Å; I46-I50 VanDerWaalsContact O-CG1 3.27Å; I46-I50 WeakPolarHBondContact O-CG1 3.4Å; I46-I50 PolarHBondContact O-N 3.18Å; F47-I50 PolarHBondContact O-N 3.25Å; I50-G54 PolarHBondContact O-N 3.05Å; I50-G54 VanDerWaalsContact O-N 3.1Å; I50-A547 HydrophobicContact CD1-CB 4.03Å; I50-L548 HydrophobicContact CD1-CB 4.45Å; I50-L548 HydrophobicContact CD1-CD1 4.45Å; I50-Q551 HydrophobicContact CD1-CG 4.12Å; I50-Q551 HydrophobicContact CG1-CG 4.15Å; I50-Q551 HydrophobicContact CG2-CG 4.16Å; I50-L589 HydrophobicContact CG1-CD1 4.4Å
51	E	79.6	Confident	74.9	Confident	19 Å²	19	33.3 Å²	33.3	9%	0.089	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-51.1	177.5	171	164.5	-124.3	0	0	112.1	F47 Q48 A53 G54 E55 R210 Y498 Y499	F47-E51 WeakPolarHBondContact O-CB 3.39Å; F47-E51 PolarHBondContact O-N 3.01Å; Q48-E51 PolarHBondContact O-N 3.33Å; E51-A53 VanDerWaalsContact C-N 3.35Å; E51-A53 PolarHBondContact O-N 3.42Å; E51-G54 WeakPolarHBondContact O-CA 3.18Å; E51-G54 PolarHBondContact O-N 2.75Å; E51-E55 PolarHBondContact O-N 3.17Å; E51-R210 IonicContact OE1-CZ 2.66Å; E51-R210 IonicContact OE1-NH1 3.62Å; E51-R210 PolarHBondContact OE1-NH1 3.45Å; E51-R210 IonicContact OE1-NH2 3.98Å; E51-R210 PolarHBondContact OE1-NH2 3.47Å; E51-Y498 WeakPolarHBondContact OE1-CE1 3.33Å; E51-Y498 PolarHBondContact OE1-OH 3.28Å; E51-Y499 HydrophobicContact CB-CE1 4.46Å; E51-Y499 VanDerWaalsContact OE2-CE1 3.24Å; E51-Y499 WeakPolarHBondContact OE2-CE1 3.47Å; E51-Y499 VanDerWaalsContact OE2-CZ 3.27Å; E51-Y499 PolarHBondContact OE2-OH 2.9Å
52	Y	79.6	Confident	73.6	Confident	14 Å²	14	28.5 Å²	28.5	6%	0.055	15%	0.147	C	C	.	.	H	α-helix	trans	-65.4	-38.9	-178.1	-64.3	-8	0	0	0	112.4	Q48 G54 E55 Q56 V446 R447	Q48-Y52 HydrophobicContact CG-CD1 4.43Å; Q48-Y52 HydrophobicContact CG-CD2 4.13Å; Q48-Y52 HydrophobicContact CG-CE1 3.87Å; Q48-Y52 HydrophobicContact CG-CE2 3.59Å; Q48-Y52 VanDerWaalsContact CG-CZ 3.46Å; Q48-Y52 VanDerWaalsContact NE2-CE2 3.27Å; Q48-Y52 VanDerWaalsContact NE2-CZ 3.33Å; Q48-Y52 PolarHBondContact NE2-OH 3.14Å; Q48-Y52 WeakPolarHBondContact O-CD1 3.47Å; Q48-Y52 VanDerWaalsContact O-CG 3.28Å; Q48-Y52 PolarHBondContact O-N 3.05Å; Y52-G54 PolarHBondContact O-N 2.95Å; Y52-E55 PolarHBondContact O-N 3.46Å; Y52-E55 VanDerWaalsContact O-N 3.13Å; Y52-Q56 PolarHBondContact O-N 2.82Å; Y52-V446 HydrophobicContact CD2-CG1 3.67Å; Y52-V446 HydrophobicContact CG-CG1 4.19Å; Y52-R447 HydrophobicContact CD1-CG 4.45Å; Y52-R447 HydrophobicContact CG-CG 4.38Å; Y52-R447 PolarHBondContact OH-NH2 3.39Å; Y52-R447 VanDerWaalsContact OH-NH2 3.15Å
53	A	71.3	Confident	72.2	Confident	24 Å²	24	33.6 Å²	33.6	20%	0.198	17%	0.169	C	C	.	.	H	α-helix	trans	-57.7	-40	172.3	0	0	0	0	0	111.4	S49 E51 E55 Q56 D57 L589	S49-A53 WeakPolarHBondContact O-CB 3.45Å; S49-A53 PolarHBondContact O-N 2.97Å; E51-A53 VanDerWaalsContact C-N 3.35Å; E51-A53 PolarHBondContact O-N 3.42Å; A53-E55 PolarHBondContact O-N 2.85Å; A53-Q56 PolarHBondContact O-N 3.21Å; A53-D57 WeakPolarHBondContact O-CB 3.32Å; A53-D57 VanDerWaalsContact O-CG 3.27Å; A53-D57 PolarHBondContact O-N 3.24Å; A53-L589 HydrophobicContact CB-CD2 3.79Å
54	G	63.4	Low	70.6	Confident	14 Å²	14	34.8 Å²	34.8	14%	0.144	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-41.1	174.4	0	0	0	0	0	113.8	I50 E51 Y52 Q58 R247 Y248	I50-G54 PolarHBondContact O-N 3.05Å; I50-G54 VanDerWaalsContact O-N 3.1Å; E51-G54 WeakPolarHBondContact O-CA 3.18Å; E51-G54 PolarHBondContact O-N 2.75Å; Y52-G54 PolarHBondContact O-N 2.95Å; G54-Q58 PolarHBondContact O-N 2.9Å; G54-R247 PolarHBondContact O-NE 2.79Å; G54-R247 PolarHBondContact O-NH1 3.37Å; G54-R247 PolarHBondContact O-NH2 2.82Å; G54-Y248 VanDerWaalsContact C-OH 3.24Å; G54-Y248 PolarHBondContact O-OH 3.41Å
55	E	66.1	Low	68.9	Low	6 Å²	6	34.5 Å²	34.5	3%	0.028	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-44.7	175.9	-69.7	170.5	-170.1	0	0	111.7	E51 Y52 A53 D57 Q58 I59 R210 Y248 R447	E51-E55 PolarHBondContact O-N 3.17Å; Y52-E55 PolarHBondContact O-N 3.46Å; Y52-E55 VanDerWaalsContact O-N 3.13Å; A53-E55 PolarHBondContact O-N 2.85Å; E55-D57 VanDerWaalsContact C-N 3.31Å; E55-D57 PolarHBondContact O-N 2.96Å; E55-Q58 WeakPolarHBondContact O-CB 3.41Å; E55-Q58 PolarHBondContact O-N 3.37Å; E55-I59 PolarHBondContact O-N 3Å; E55-R210 IonicContact OE1-NH2 3.62Å; E55-R210 PolarHBondContact OE1-NH2 3.27Å; E55-Y248 WeakPolarHBondContact CA-OH 3.32Å; E55-Y248 VanDerWaalsContact CG-OH 3.24Å; E55-Y248 WeakPolarHBondContact CG-OH 3.38Å; E55-Y248 PolarHBondContact N-OH 2.96Å; E55-Y248 VanDerWaalsContact N-OH 3.1Å; E55-R447 CarbonylContact C-O 3.59Å; E55-R447 IonicContact OE1-NH1 3.38Å; E55-R447 PolarHBondContact OE1-NH1 3.44Å; E55-R447 WeakPolarHBondContact OE2-CD 3.29Å; E55-R447 IonicContact OE2-CZ 2.87Å; E55-R447 IonicContact OE2-NE 3.41Å; E55-R447 IonicContact OE2-NH1 3.44Å; E55-R447 PolarHBondContact OE2-NH1 2.94Å
56	Q	66	Low	67	Low	54 Å²	54	32.1 Å²	32.1	25%	0.252	17%	0.165	S	C	.	.	H	α-helix	trans	-59.2	-44	177.2	-156.4	-161.1	25.2	0	0	111.8	Y52 A53 Q58 I59 K60 E445 V446 R447	Y52-Q56 PolarHBondContact O-N 2.82Å; A53-Q56 PolarHBondContact O-N 3.21Å; Q56-Q58 PolarHBondContact O-N 3.06Å; Q56-I59 PolarHBondContact O-N 3.13Å; Q56-K60 VanDerWaalsContact CD-NZ 3.3Å; Q56-K60 WeakPolarHBondContact O-CG 3.43Å; Q56-K60 PolarHBondContact O-N 2.79Å; Q56-E445 PolarHBondContact NE2-O 3.34Å; Q56-V446 WeakPolarHBondContact CB-O 3.39Å; Q56-R447 VanDerWaalsContact CA-O 3.28Å; Q56-R447 WeakPolarHBondContact CA-O 3.35Å; Q56-R447 PolarHBondContact N-O 3.32Å
57	D	63.2	Low	65.2	Low	63 Å²	63	35.3 Å²	35.3	34%	0.337	18%	0.179	S	C	.	.	H	α-helix	trans	-65.2	-29	178.7	-72.9	-14.6	0	0	0	112.1	A53 E55 K60 L61 R247	A53-D57 WeakPolarHBondContact O-CB 3.32Å; A53-D57 VanDerWaalsContact O-CG 3.27Å; A53-D57 PolarHBondContact O-N 3.24Å; E55-D57 VanDerWaalsContact C-N 3.31Å; E55-D57 PolarHBondContact O-N 2.96Å; D57-K60 IonicContact OD1-NZ 3.83Å; D57-K60 PolarHBondContact OD1-NZ 3.48Å; D57-K60 VanDerWaalsContact OD1-NZ 3.09Å; D57-L61 WeakPolarHBondContact O-CB 3.16Å; D57-L61 PolarHBondContact O-N 2.88Å; D57-R247 VanDerWaalsContact C-NH1 3.33Å
58	Q	60.3	Low	63.2	Low	10 Å²	10	34.9 Å²	34.9	5%	0.047	18%	0.177	C	C	.	.	H	α-helix	trans	-69.1	-41.4	175.8	-174.4	59.5	4.3	0	0	111.6	G54 E55 Q56 L61 Y62 I243 R247	G54-Q58 PolarHBondContact O-N 2.9Å; E55-Q58 WeakPolarHBondContact O-CB 3.41Å; E55-Q58 PolarHBondContact O-N 3.37Å; Q56-Q58 PolarHBondContact O-N 3.06Å; Q58-L61 PolarHBondContact O-N 2.93Å; Q58-Y62 WeakPolarHBondContact O-CB 3.19Å; Q58-Y62 PolarHBondContact O-N 2.74Å; Q58-I243 PolarHBondContact NE2-O 3Å; Q58-R247 VanDerWaalsContact CA-NH1 3.31Å
59	I	61.6	Low	61.2	Low	11 Å²	11	35.3 Å²	35.3	6%	0.056	18%	0.18	C	C	.	.	H	α-helix	trans	-66.5	-43.1	177.9	-62.9	178.3	0	0	0	110.2	E55 Q56 L61 Y62 H63 L314 R447 G448	E55-I59 PolarHBondContact O-N 3Å; Q56-I59 PolarHBondContact O-N 3.13Å; I59-L61 PolarHBondContact O-N 2.82Å; I59-Y62 WeakPolarHBondContact O-CB 3.11Å; I59-Y62 PolarHBondContact O-N 3.03Å; I59-H63 PolarHBondContact O-CD2 2.98Å; I59-H63 PolarHBondContact O-N 3.03Å; I59-L314 HydrophobicContact CD1-CD2 4.14Å; I59-L314 HydrophobicContact CG1-CD2 3.96Å; I59-R447 WeakPolarHBondContact CD1-O 3.23Å; I59-G448 WeakPolarHBondContact CD1-O 3.43Å
60	K	60.1	Low	59.3	Low	101 Å²	101	38.7 Å²	38.7	44%	0.439	20%	0.196	S	C	.	.	H	α-helix	trans	-60.2	-46.5	174.1	-67.9	172.9	-162.1	150.2	0	112.1	Q56 D57 Y62 H63 F64	Q56-K60 VanDerWaalsContact CD-NZ 3.3Å; Q56-K60 WeakPolarHBondContact O-CG 3.43Å; Q56-K60 PolarHBondContact O-N 2.79Å; D57-K60 IonicContact OD1-NZ 3.83Å; D57-K60 PolarHBondContact OD1-NZ 3.48Å; D57-K60 VanDerWaalsContact OD1-NZ 3.09Å; K60-Y62 VanDerWaalsContact C-N 3.29Å; K60-Y62 PolarHBondContact O-N 2.95Å; K60-H63 PolarHBondContact O-N 3.09Å; K60-F64 WeakPolarHBondContact O-CB 3.29Å; K60-F64 PolarHBondContact O-N 3.46Å
61	L	55.2	Low	57.6	Low	25 Å²	25	42.8 Å²	42.8	13%	0.131	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-36.4	178.6	179.3	131.2	0	0	0	111.3	D57 Q58 I59 F64 F65	D57-L61 WeakPolarHBondContact O-CB 3.16Å; D57-L61 PolarHBondContact O-N 2.88Å; Q58-L61 PolarHBondContact O-N 2.93Å; I59-L61 PolarHBondContact O-N 2.82Å; L61-F64 WeakPolarHBondContact O-CB 3.43Å; L61-F64 PolarHBondContact O-N 3.08Å; L61-F65 HydrophobicContact CD1-CE2 4.07Å; L61-F65 HydrophobicContact CD2-CD2 3.7Å; L61-F65 HydrophobicContact CD2-CE2 3.39Å; L61-F65 HydrophobicContact CG-CD2 3.85Å; L61-F65 HydrophobicContact CG-CE2 3.46Å; L61-F65 VanDerWaalsContact CG-CE2 3.46Å; L61-F65 HydrophobicContact CG-CZ 4.45Å; L61-F65 WeakPolarHBondContact O-CD2 3.39Å; L61-F65 PolarHBondContact O-N 3.2Å
62	Y	55.3	Low	55.7	Low	25 Å²	25	44.3 Å²	44.3	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-49.3	170.4	172.7	-98.5	0	0	0	112.5	Q58 I59 K60 F64 F65 G66 F86 I243 L314 R315	Q58-Y62 WeakPolarHBondContact O-CB 3.19Å; Q58-Y62 PolarHBondContact O-N 2.74Å; I59-Y62 WeakPolarHBondContact O-CB 3.11Å; I59-Y62 PolarHBondContact O-N 3.03Å; K60-Y62 VanDerWaalsContact C-N 3.29Å; K60-Y62 PolarHBondContact O-N 2.95Å; Y62-F64 PolarHBondContact O-N 3.35Å; Y62-F65 PolarHBondContact O-N 2.96Å; Y62-G66 PolarHBondContact O-N 3.44Å; Y62-F86 HydrophobicContact CD2-CE1 4.21Å; Y62-F86 HydrophobicContact CE2-CD1 4.4Å; Y62-F86 HydrophobicContact CE2-CE1 4.19Å; Y62-I243 HydrophobicContact CD2-CD1 3.72Å; Y62-I243 HydrophobicContact CD2-CG2 4.06Å; Y62-I243 HydrophobicContact CE2-CD1 3.48Å; Y62-I243 VanDerWaalsContact CE2-CD1 3.48Å; Y62-L314 HydrophobicContact CD1-CB 4.39Å; Y62-L314 WeakPolarHBondContact CE1-O 3.43Å; Y62-R315 WeakPolarHBondContact OH-CA 2.83Å; Y62-R315 VanDerWaalsContact OH-CB 3.31Å; Y62-R315 WeakPolarHBondContact OH-CB 3.29Å; Y62-R315 VanDerWaalsContact OH-CG 3.3Å; Y62-R315 WeakPolarHBondContact OH-CG 3.27Å
63	H	55.1	Low	53.7	Low	117 Å²	117	49.8 Å²	49.8	54%	0.542	26%	0.256	S	S	.	.	H	α-helix	trans	-55.9	-39.7	176.7	-80.2	-67	0	0	0	111.6	I59 K60 F67	I59-H63 PolarHBondContact O-CD2 2.98Å; I59-H63 PolarHBondContact O-N 3.03Å; K60-H63 PolarHBondContact O-N 3.09Å; H63-F67 WeakPolarHBondContact O-CB 3.22Å; H63-F67 PolarHBondContact O-N 2.82Å
64	F	52.2	Low	52.5	Low	31 Å²	31	51.5 Å²	51.5	14%	0.136	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-50.7	173.1	171.2	-108.1	0	0	0	112.3	K60 L61 Y62 G66 F67 L68 L670 H673	K60-F64 WeakPolarHBondContact O-CB 3.29Å; K60-F64 PolarHBondContact O-N 3.46Å; L61-F64 WeakPolarHBondContact O-CB 3.43Å; L61-F64 PolarHBondContact O-N 3.08Å; Y62-F64 PolarHBondContact O-N 3.35Å; F64-G66 PolarHBondContact O-N 3.21Å; F64-F67 WeakPolarHBondContact O-CB 3.36Å; F64-F67 PolarHBondContact O-N 3.47Å; F64-L68 HydrophobicContact CD1-CD1 4.18Å; F64-L68 HydrophobicContact CE1-CD1 3.41Å; F64-L68 VanDerWaalsContact CE1-CD1 3.41Å; F64-L68 HydrophobicContact CE1-CG 4.24Å; F64-L68 HydrophobicContact CE2-CD1 3.99Å; F64-L68 HydrophobicContact CE2-CD2 4.33Å; F64-L68 HydrophobicContact CE2-CG 3.99Å; F64-L68 HydrophobicContact CZ-CD1 3.29Å; F64-L68 HydrophobicContact CZ-CD2 4.26Å; F64-L68 HydrophobicContact CZ-CG 3.82Å; F64-L68 PolarHBondContact O-N 3.23Å; F64-L670 HydrophobicContact CE1-CD1 4Å; F64-L670 HydrophobicContact CE2-CD1 3.5Å; F64-L670 HydrophobicContact CZ-CD1 3.17Å; F64-L670 HydrophobicContact CZ-CG 4.42Å; F64-H673 AromaticContact CD2-CD2 3.48Å; F64-H673 VanDerWaalsContact CD2-CD2 3.48Å; F64-H673 WeakPolarHBondContact CD2-CD2 3.1Å; F64-H673 AromaticContact CD2-CG 3.98Å; F64-H673 AromaticContact CD2-NE2 3.86Å; F64-H673 HydrophobicContact CE2-CB 4.31Å
65	F	48.1	Very low	51.2	Low	23 Å²	23	55.8 Å²	55.8	10%	0.101	30%	0.299	C	S	.	.	H	α-helix	trans	-67.1	-35.9	178.5	-74.3	-54.1	0	0	0	113.3	L61 Y62 F67 L68 M69 I646 I649	L61-F65 HydrophobicContact CD1-CE2 4.07Å; L61-F65 HydrophobicContact CD2-CD2 3.7Å; L61-F65 HydrophobicContact CD2-CE2 3.39Å; L61-F65 HydrophobicContact CG-CD2 3.85Å; L61-F65 HydrophobicContact CG-CE2 3.46Å; L61-F65 VanDerWaalsContact CG-CE2 3.46Å; L61-F65 HydrophobicContact CG-CZ 4.45Å; L61-F65 WeakPolarHBondContact O-CD2 3.39Å; L61-F65 PolarHBondContact O-N 3.2Å; Y62-F65 PolarHBondContact O-N 2.96Å; F65-F67 VanDerWaalsContact C-N 3.35Å; F65-L68 HydrophobicContact CD1-CD1 4.06Å; F65-L68 HydrophobicContact CE1-CD1 4.41Å; F65-L68 PolarHBondContact O-N 3.27Å; F65-M69 WeakPolarHBondContact O-CB 3.44Å; F65-M69 VanDerWaalsContact O-CG 3.26Å; F65-M69 WeakPolarHBondContact O-CG 3.49Å; F65-M69 PolarHBondContact O-N 2.87Å; F65-I646 HydrophobicContact CZ-CG1 4.36Å; F65-I649 HydrophobicContact CD1-CD1 3.8Å; F65-I649 HydrophobicContact CE1-CD1 3.37Å; F65-I649 HydrophobicContact CZ-CD1 3.81Å
66	G	47.8	Very low	49.9	Very low	17 Å²	17	58.7 Å²	58.7	18%	0.175	32%	0.32	C	S	.	.	H	α-helix	trans	-60.7	-45	172.3	0	0	0	0	0	111.4	Y62 F64 M69 D70	Y62-G66 PolarHBondContact O-N 3.44Å; F64-G66 PolarHBondContact O-N 3.21Å; G66-M69 PolarHBondContact O-N 2.69Å; G66-D70 WeakPolarHBondContact O-CB 3.5Å; G66-D70 PolarHBondContact O-N 3.45Å
67	F	47.4	Very low	48.5	Very low	68 Å²	68	61.7 Å²	61.7	30%	0.298	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-48.9	174	177.9	-92.3	0	0	0	111.7	H63 F64 F65 M69 D70 H71 H673	H63-F67 WeakPolarHBondContact O-CB 3.22Å; H63-F67 PolarHBondContact O-N 2.82Å; F64-F67 WeakPolarHBondContact O-CB 3.36Å; F64-F67 PolarHBondContact O-N 3.47Å; F65-F67 VanDerWaalsContact C-N 3.35Å; F67-M69 VanDerWaalsContact C-N 3.34Å; F67-M69 PolarHBondContact O-N 3.31Å; F67-D70 PolarHBondContact O-N 3.28Å; F67-H71 AromaticContact CD2-CE1 3.36Å; F67-H71 WeakPolarHBondContact CD2-CE1 3.42Å; F67-H71 AromaticContact CD2-ND1 3.65Å; F67-H71 AromaticContact CE2-CE1 3.16Å; F67-H71 WeakPolarHBondContact CE2-CE1 3.34Å; F67-H71 AromaticContact CE2-ND1 3.65Å; F67-H71 AromaticContact CE2-NE2 3.5Å; F67-H71 WeakPolarHBondContact CE2-NE2 3.37Å; F67-H71 AromaticContact CG-ND1 3.95Å; F67-H71 AromaticContact CZ-CE1 3.79Å; F67-H71 AromaticContact CZ-ND1 3.93Å; F67-H71 AromaticContact CZ-NE2 3.87Å; F67-H71 PolarHBondContact O-N 2.91Å; F67-H71 VanDerWaalsContact O-N 3.15Å; F67-H71 PolarHBondContact O-ND1 3.28Å; F67-H673 HydrophobicContact CD1-CB 4.44Å; F67-H673 AromaticContact CD1-CE1 3.89Å; F67-H673 AromaticContact CD1-ND1 3.22Å; F67-H673 WeakPolarHBondContact CD1-ND1 3.48Å; F67-H673 HydrophobicContact CE1-CB 4.22Å; F67-H673 AromaticContact CE1-ND1 3.47Å; F67-H673 WeakPolarHBondContact CE1-ND1 3.38Å; F67-H673 AromaticContact CG-CE1 3.77Å; F67-H673 AromaticContact CG-ND1 3.53Å; F67-H673 AromaticContact CZ-ND1 3.97Å
68	L	43.7	Very low	47.4	Very low	10 Å²	10	65.1 Å²	65.1	5%	0.052	36%	0.361	C	S	.	.	H	α-helix	trans	-57.2	-47.1	177.4	-76.7	179.1	0	0	0	111.9	F64 F65 D70 H71 F72 L669	F64-L68 HydrophobicContact CD1-CD1 4.18Å; F64-L68 HydrophobicContact CE1-CD1 3.41Å; F64-L68 VanDerWaalsContact CE1-CD1 3.41Å; F64-L68 HydrophobicContact CE1-CG 4.24Å; F64-L68 HydrophobicContact CE2-CD1 3.99Å; F64-L68 HydrophobicContact CE2-CD2 4.33Å; F64-L68 HydrophobicContact CE2-CG 3.99Å; F64-L68 HydrophobicContact CZ-CD1 3.29Å; F64-L68 HydrophobicContact CZ-CD2 4.26Å; F64-L68 HydrophobicContact CZ-CG 3.82Å; F64-L68 PolarHBondContact O-N 3.23Å; F65-L68 HydrophobicContact CD1-CD1 4.06Å; F65-L68 HydrophobicContact CE1-CD1 4.41Å; F65-L68 PolarHBondContact O-N 3.27Å; L68-D70 VanDerWaalsContact C-N 3.3Å; L68-D70 PolarHBondContact O-N 3.48Å; L68-H71 PolarHBondContact O-N 2.88Å; L68-F72 HydrophobicContact CD2-CE2 4.46Å; L68-F72 WeakPolarHBondContact O-CB 3.29Å; L68-F72 WeakPolarHBondContact O-CD2 3.32Å; L68-F72 PolarHBondContact O-N 3.11Å; L68-L669 HydrophobicContact CD2-CB 3.89Å
69	M	44	Very low	46.7	Very low	54 Å²	54	66.9 Å²	66.9	27%	0.266	37%	0.367	S	S	.	.	H	α-helix	trans	-67	-29.9	-178.5	-72.6	-64.5	-61.2	0	0	113.4	F65 G66 F67	F65-M69 WeakPolarHBondContact O-CB 3.44Å; F65-M69 VanDerWaalsContact O-CG 3.26Å; F65-M69 WeakPolarHBondContact O-CG 3.49Å; F65-M69 PolarHBondContact O-N 2.87Å; G66-M69 PolarHBondContact O-N 2.69Å; F67-M69 VanDerWaalsContact C-N 3.34Å; F67-M69 PolarHBondContact O-N 3.31Å
70	D	46.2	Very low	45.9	Very low	96 Å²	96	71 Å²	71	51%	0.513	39%	0.389	S	S	.	.	H	α-helix	trans	-78.6	-22.9	178.3	-72.7	-1.2	0	0	0	112.6	G66 F67 L68 K318	G66-D70 WeakPolarHBondContact O-CB 3.5Å; G66-D70 PolarHBondContact O-N 3.45Å; F67-D70 PolarHBondContact O-N 3.28Å; L68-D70 VanDerWaalsContact C-N 3.3Å; L68-D70 PolarHBondContact O-N 3.48Å; D70-K318 IonicContact OD1-NZ 3.72Å; D70-K318 PolarHBondContact OD1-NZ 2.73Å; D70-K318 IonicContact OD2-NZ 3.8Å; D70-K318 PolarHBondContact OD2-NZ 3.26Å; D70-K318 VanDerWaalsContact OD2-NZ 3.16Å
71	H	43.1	Very low	45	Very low	116 Å²	116	68.6 Å²	68.6	54%	0.537	38%	0.381	S	S	.	.	H	α-helix	trans	-102.7	-9.3	179.4	-63.3	72.5	0	0	0	113.2	F67 L68	F67-H71 AromaticContact CD2-CE1 3.36Å; F67-H71 WeakPolarHBondContact CD2-CE1 3.42Å; F67-H71 AromaticContact CD2-ND1 3.65Å; F67-H71 AromaticContact CE2-CE1 3.16Å; F67-H71 WeakPolarHBondContact CE2-CE1 3.34Å; F67-H71 AromaticContact CE2-ND1 3.65Å; F67-H71 AromaticContact CE2-NE2 3.5Å; F67-H71 WeakPolarHBondContact CE2-NE2 3.37Å; F67-H71 AromaticContact CG-ND1 3.95Å; F67-H71 AromaticContact CZ-CE1 3.79Å; F67-H71 AromaticContact CZ-ND1 3.93Å; F67-H71 AromaticContact CZ-NE2 3.87Å; F67-H71 PolarHBondContact O-N 2.91Å; F67-H71 VanDerWaalsContact O-N 3.15Å; F67-H71 PolarHBondContact O-ND1 3.28Å; L68-H71 PolarHBondContact O-N 2.88Å
72	F	40.2	Very low	44.2	Very low	51 Å²	51	68.3 Å²	68.3	22%	0.224	38%	0.379	C	S	.	.			trans	-95.8	101.5	171	-98.9	-84.5	0	0	0	112	L68 L669	L68-F72 HydrophobicContact CD2-CE2 4.46Å; L68-F72 WeakPolarHBondContact O-CB 3.29Å; L68-F72 WeakPolarHBondContact O-CD2 3.32Å; L68-F72 PolarHBondContact O-N 3.11Å; F72-L669 HydrophobicContact CD2-CD1 3.88Å; F72-L669 HydrophobicContact CE1-CD1 4.47Å; F72-L669 HydrophobicContact CE2-CD1 3.15Å; F72-L669 HydrophobicContact CE2-CG 4.48Å; F72-L669 HydrophobicContact CZ-CD1 3.5Å
73	T	38.4	Very low	43.5	Very low	130 Å²	130	67.4 Å²	67.4	80%	0.798	38%	0.377	S	S	*	.			trans	-73.2	132.5	167	41.3	0	0	0	0	111.8
74	P	44.7	Very low	43.1	Very low	60 Å²	60	65.9 Å²	65.9	39%	0.39	37%	0.369	S	S	.	.			trans	-81.3	125.8	170.5	5.6	6.7	0	0	0	113.6	R79	P74-R79 VanDerWaalsContact CG-NH1 3.31Å
75	A	37.3	Very low	42.6	Very low	104 Å²	104	66.4 Å²	66.4	86%	0.86	37%	0.373	S	S	*	.			trans	-109.1	70	148.1	0	0	0	0	0	109.2
76	S	37.3	Very low	42.3	Very low	67 Å²	67	66.5 Å²	66.5	47%	0.469	37%	0.374	S	S	.	.			trans	-175.6	146	159	57.7	0	0	0	0	111.2
77	S	37.2	Very low	42	Very low	116 Å²	116	72.2 Å²	72.2	81%	0.811	39%	0.39	S	S	*	.	S	Bend	trans	-88.8	8.3	-170	50.7	0	0	0	0	115.4
78	E	41.2	Very low	41.7	Very low	136 Å²	136	76 Å²	76	64%	0.636	41%	0.409	S	S	*	.			trans	-121.5	17.7	-169.1	-66.6	-167.9	162.4	0	0	115.4	N80 H654	E78-N80 PolarHBondContact O-N 2.9Å; E78-N80 VanDerWaalsContact O-N 3.14Å; E78-H654 PolarHBondContact O-CD2 3.45Å
79	R	45.3	Very low	41.6	Very low	47 Å²	47	80.4 Å²	80.4	18%	0.177	43%	0.432	C	S	.	.			trans	-67.7	110.9	167.7	-57.2	-178.9	-177.6	179.8	-0.7	109.4	P74 S83 H654	P74-R79 VanDerWaalsContact CG-NH1 3.31Å; R79-S83 WeakPolarHBondContact CB-OG 3.17Å; R79-S83 WeakPolarHBondContact O-CB 3.31Å; R79-S83 PolarHBondContact O-OG 2.78Å; R79-H654 WeakPolarHBondContact CA-NE2 3.08Å
80	N	45	Very low	41.4	Very low	96 Å²	96	84.5 Å²	84.5	51%	0.513	45%	0.451	S	S	.	.			trans	-125.5	-15.3	-176.4	-86	-33.8	0	0	0	117.6	E78 S83 H84	E78-N80 PolarHBondContact O-N 2.9Å; E78-N80 VanDerWaalsContact O-N 3.14Å; N80-S83 PolarHBondContact N-OG 3.32Å; N80-H84 WeakPolarHBondContact O-CB 3.5Å; N80-H84 PolarHBondContact O-CD2 3.03Å
81	L	40.5	Very low	41.1	Very low	52 Å²	52	87 Å²	87	27%	0.272	47%	0.469	S	S	.	.	S	Bend	trans	-104	-58.4	179.5	-168.7	62.7	0	0	0	112.7	H84 I85 K263	L81-H84 PolarHBondContact O-N 2.96Å; L81-I85 HydrophobicContact CD1-CD1 4.35Å; L81-I85 HydrophobicContact CG-CD1 4.31Å; L81-I85 WeakPolarHBondContact O-CD1 3.31Å; L81-I85 WeakPolarHBondContact O-CG1 3.33Å; L81-I85 PolarHBondContact O-N 3.06Å; L81-K263 HydrophobicContact CD1-CD 4.43Å
82	I	38.2	Very low	41.1	Very low	19 Å²	19	83.8 Å²	83.8	10%	0.097	46%	0.459	C	S	.	.	H	α-helix	trans	-74	-39.8	179.8	-70.5	144.2	0	0	0	110.5	H84 I85 F86 R648 I649	I82-H84 VanDerWaalsContact C-N 3.28Å; I82-H84 PolarHBondContact O-N 3.24Å; I82-I85 PolarHBondContact O-N 2.95Å; I82-F86 HydrophobicContact CG2-CD2 3.72Å; I82-F86 HydrophobicContact CG2-CE2 4.21Å; I82-F86 WeakPolarHBondContact O-CB 3.4Å; I82-F86 VanDerWaalsContact O-CD2 3.23Å; I82-F86 WeakPolarHBondContact O-CD2 3.25Å; I82-F86 PolarHBondContact O-N 2.74Å; I82-R648 HydrophobicContact CD1-CB 3.48Å; I82-R648 VanDerWaalsContact CD1-CB 3.48Å; I82-R648 WeakPolarHBondContact CD1-O 3.46Å; I82-I649 HydrophobicContact CD1-CB 4.24Å; I82-I649 HydrophobicContact CD1-CG1 3.42Å; I82-I649 VanDerWaalsContact CD1-CG1 3.42Å; I82-I649 HydrophobicContact CG1-CG1 4.02Å; I82-I649 HydrophobicContact CG2-CG1 3.99Å
83	S	41.4	Very low	41.7	Very low	6 Å²	6	91.2 Å²	91.2	4%	0.042	49%	0.486	C	S	.	.	H	α-helix	trans	-61.1	-31.3	170	57.7	0	0	0	0	113.1	R79 N80 R87	R79-S83 WeakPolarHBondContact CB-OG 3.17Å; R79-S83 WeakPolarHBondContact O-CB 3.31Å; R79-S83 PolarHBondContact O-OG 2.78Å; N80-S83 PolarHBondContact N-OG 3.32Å; S83-R87 VanDerWaalsContact O-CA 3.25Å; S83-R87 WeakPolarHBondContact O-CA 3.41Å; S83-R87 WeakPolarHBondContact O-CB 3.42Å; S83-R87 WeakPolarHBondContact O-CG 3.35Å; S83-R87 PolarHBondContact O-N 3.36Å
84	H	45.6	Very low	42.6	Very low	84 Å²	84	88.6 Å²	88.6	39%	0.389	47%	0.467	S	S	.	.	H	α-helix	trans	-81.3	-27.4	176.2	-86.2	-37.8	0	0	0	113	N80 L81 I82	N80-H84 WeakPolarHBondContact O-CB 3.5Å; N80-H84 PolarHBondContact O-CD2 3.03Å; L81-H84 PolarHBondContact O-N 2.96Å; I82-H84 VanDerWaalsContact C-N 3.28Å; I82-H84 PolarHBondContact O-N 3.24Å
85	I	42	Very low	43.4	Very low	42 Å²	42	89 Å²	89	22%	0.215	48%	0.476	C	S	.	.	H	α-helix	trans	-73.7	-32.3	172	-68	167.6	0	0	0	110.3	L81 I82 H242 L246	L81-I85 HydrophobicContact CD1-CD1 4.35Å; L81-I85 HydrophobicContact CG-CD1 4.31Å; L81-I85 WeakPolarHBondContact O-CD1 3.31Å; L81-I85 WeakPolarHBondContact O-CG1 3.33Å; L81-I85 PolarHBondContact O-N 3.06Å; I82-I85 PolarHBondContact O-N 2.95Å; I85-H242 PolarHBondContact O-NE2 3.24Å; I85-L246 HydrophobicContact CG2-CD1 4.13Å
86	F	41.5	Very low	44.7	Very low	25 Å²	25	88 Å²	88	11%	0.11	46%	0.455	C	S	.	.	H	α-helix	trans	-119.1	-16.7	-171.6	-64.3	-78.7	0	0	0	117.1	Y62 I82 I243 L246 R315	Y62-F86 HydrophobicContact CD2-CE1 4.21Å; Y62-F86 HydrophobicContact CE2-CD1 4.4Å; Y62-F86 HydrophobicContact CE2-CE1 4.19Å; I82-F86 HydrophobicContact CG2-CD2 3.72Å; I82-F86 HydrophobicContact CG2-CE2 4.21Å; I82-F86 WeakPolarHBondContact O-CB 3.4Å; I82-F86 VanDerWaalsContact O-CD2 3.23Å; I82-F86 WeakPolarHBondContact O-CD2 3.25Å; I82-F86 PolarHBondContact O-N 2.74Å; F86-I243 HydrophobicContact CE1-CD1 4.45Å; F86-L246 HydrophobicContact CZ-CD1 4.28Å; F86-R315 PolarHBondContact O-NH1 3.19Å; F86-R315 PolarHBondContact O-NH2 2.78Å
87	R	42.5	Very low	46.3	Very low	138 Å²	138	86.3 Å²	86.3	52%	0.521	44%	0.439	S	S	.	.	S	Bend	trans	-81.9	160.9	171.4	-69.8	180	92.2	174.2	6	111.6	S83	S83-R87 VanDerWaalsContact O-CA 3.25Å; S83-R87 WeakPolarHBondContact O-CA 3.41Å; S83-R87 WeakPolarHBondContact O-CB 3.42Å; S83-R87 WeakPolarHBondContact O-CG 3.35Å; S83-R87 PolarHBondContact O-N 3.36Å
88	E	40.8	Very low	47.9	Very low	148 Å²	148	84.2 Å²	84.2	69%	0.692	42%	0.416	S	S	*	.			trans	-43.8	142.2	179.6	-70.8	167.3	149.6	0	0	113.6	E90	E88-E90 VanDerWaalsContact C-N 3.34Å; E88-E90 PolarHBondContact O-N 3.04Å
89	N	41.6	Very low	49.5	Very low	102 Å²	102	87.7 Å²	87.7	55%	0.545	42%	0.423	S	S	.	.			trans	-51.7	100.9	159.7	-70.8	-37.6	0	0	0	108	V91	N89-V91 PolarHBondContact O-N 3.5Å
90	E	40	Very low	51	Low	140 Å²	140	90.6 Å²	90.6	65%	0.654	44%	0.435	S	S	*	.			trans	-54.8	115.4	157.1	-76.2	-179.1	175.4	0	0	105.8	E88 C92	E88-E90 VanDerWaalsContact C-N 3.34Å; E88-E90 PolarHBondContact O-N 3.04Å; E90-C92 PolarHBondContact O-N 2.91Å
91	V	38.8	Very low	52.8	Low	147 Å²	147	86.5 Å²	86.5	89%	0.891	41%	0.413	S	S	*	.			trans	-69.4	66.2	171.7	-174.7	0	0	0	0	107.1	N89	N89-V91 PolarHBondContact O-N 3.5Å
92	C	43.5	Very low	54.8	Low	50 Å²	50	85.5 Å²	85.5	34%	0.338	41%	0.41	S	S	.	.			trans	-78.8	137.4	169.4	-133.9	0	0	0	0	107.1	E90 D96	E90-C92 PolarHBondContact O-N 2.91Å; C92-D96 HydrophobicContact CB-CB 4.35Å; C92-D96 VanDerWaalsContact SG-CB 3.58Å
93	R	52.6	Low	57.1	Low	207 Å²	207	86.5 Å²	86.5	78%	0.781	41%	0.413	S	S	*	.			trans	-61.7	148.6	-179.2	-68.6	179.1	174.7	-172.9	-1.3	109.1	A95 D96	R93-A95 PolarHBondContact O-N 3.24Å; R93-D96 PolarHBondContact N-OD2 3.34Å; R93-D96 WeakPolarHBondContact O-CB 3.32Å; R93-D96 PolarHBondContact O-N 2.81Å
94	D	58.3	Low	59.3	Low	74 Å²	74	93 Å²	93	40%	0.396	44%	0.44	S	S	.	.	H	α-helix	trans	-51.4	-32.6	-177.2	-71.1	-34	0	0	0	113.8	D96 W97 E98 R156	D94-D96 VanDerWaalsContact C-N 3.32Å; D94-D96 PolarHBondContact O-N 2.9Å; D94-W97 PolarHBondContact O-N 2.92Å; D94-E98 PolarHBondContact O-N 3.14Å; D94-R156 IonicContact OD1-NH2 3.26Å; D94-R156 IonicContact OD2-CZ 3.69Å; D94-R156 IonicContact OD2-NH1 3.9Å; D94-R156 IonicContact OD2-NH2 2.72Å; D94-R156 PolarHBondContact OD2-NH2 3.28Å
95	A	59.9	Low	61.2	Low	70 Å²	70	95.4 Å²	95.4	58%	0.579	46%	0.456	S	S	*	.	H	α-helix	trans	-61	-35.8	177.1	0	0	0	0	0	113.6	R93 W97 E98 R99	R93-A95 PolarHBondContact O-N 3.24Å; A95-W97 VanDerWaalsContact C-N 3.34Å; A95-E98 PolarHBondContact O-N 3.28Å; A95-R99 PolarHBondContact O-N 2.83Å; A95-R99 VanDerWaalsContact O-N 3.13Å
96	D	65.3	Low	63.6	Low	81 Å²	81	94.3 Å²	94.3	43%	0.433	45%	0.45	S	S	.	.	H	α-helix	trans	-71.8	-34.3	179.5	-59.9	-43.3	0	0	0	110.7	C92 R93 D94 R99 Y100	C92-D96 HydrophobicContact CB-CB 4.35Å; C92-D96 VanDerWaalsContact SG-CB 3.58Å; R93-D96 PolarHBondContact N-OD2 3.34Å; R93-D96 WeakPolarHBondContact O-CB 3.32Å; R93-D96 PolarHBondContact O-N 2.81Å; D94-D96 VanDerWaalsContact C-N 3.32Å; D94-D96 PolarHBondContact O-N 2.9Å; D96-R99 PolarHBondContact O-N 3.17Å; D96-Y100 WeakPolarHBondContact O-CB 3.32Å; D96-Y100 PolarHBondContact O-N 3.43Å
97	W	70.5	Confident	66	Low	33 Å²	33	101.4 Å²	101.4	13%	0.125	48%	0.484	C	S	.	.	H	α-helix	trans	-71.4	-40.9	174	-73.3	109.8	0	0	0	112.8	D94 A95 R99 Y100 F101 W152 K267 K271	D94-W97 PolarHBondContact O-N 2.92Å; A95-W97 VanDerWaalsContact C-N 3.34Å; W97-R99 PolarHBondContact O-N 3.14Å; W97-Y100 HydrophobicContact CE3-CD1 4.08Å; W97-Y100 HydrophobicContact CE3-CG 4.38Å; W97-Y100 HydrophobicContact CZ3-CD1 4.02Å; W97-Y100 HydrophobicContact CZ3-CE1 4.38Å; W97-Y100 HydrophobicContact CZ3-CG 4.45Å; W97-Y100 PolarHBondContact O-N 2.95Å; W97-F101 HydrophobicContact CB-CD2 4.3Å; W97-F101 HydrophobicContact CB-CE2 4.27Å; W97-F101 HydrophobicContact CD2-CE2 4.16Å; W97-F101 HydrophobicContact CE3-CD2 4.17Å; W97-F101 AromaticContact CE3-CE2 3.33Å; W97-F101 HydrophobicContact CE3-CE2 3.33Å; W97-F101 AromaticContact CE3-CZ 3.68Å; W97-F101 HydrophobicContact CE3-CZ 3.68Å; W97-F101 HydrophobicContact CZ3-CE2 4.01Å; W97-F101 AromaticContact CZ3-CZ 3.85Å; W97-F101 HydrophobicContact CZ3-CZ 3.85Å; W97-F101 WeakPolarHBondContact O-CB 3.28Å; W97-F101 WeakPolarHBondContact O-CD2 3.32Å; W97-F101 PolarHBondContact O-N 3.47Å; W97-W152 HydrophobicContact CB-CH2 3.69Å; W97-W152 HydrophobicContact CB-CZ3 4.2Å; W97-W152 HydrophobicContact CG-CH2 4.47Å; W97-K267 HydrophobicContact CH2-CD 4.47Å; W97-K267 VanDerWaalsContact CH2-CE 3.44Å; W97-K267 HydrophobicContact CZ3-CD 4.15Å; W97-K267 HydrophobicContact CZ3-CG 4.49Å; W97-K271 HydrophobicContact CD2-CD 4.42Å; W97-K271 HydrophobicContact CE3-CD 4.43Å
98	E	71.9	Confident	68.4	Low	72 Å²	72	96.5 Å²	96.5	34%	0.336	47%	0.469	S	S	.	.	H	α-helix	trans	-59.5	-38	173.6	-72.7	-168.3	-164.8	0	0	111.3	D94 A95 C102 W152 R153	D94-E98 PolarHBondContact O-N 3.14Å; A95-E98 PolarHBondContact O-N 3.28Å; E98-C102 PolarHBondContact O-N 3.26Å; E98-C102 VanDerWaalsContact O-N 3.16Å; E98-W152 HydrophobicContact CG-CZ3 4.38Å; E98-R153 VanDerWaalsContact CD-NH1 3.26Å; E98-R153 IonicContact OE1-CZ 3.82Å; E98-R153 IonicContact OE1-NH1 2.6Å; E98-R153 PolarHBondContact OE1-NH1 2.62Å; E98-R153 IonicContact OE1-NH2 2.82Å; E98-R153 PolarHBondContact OE1-NH2 2.87Å; E98-R153 IonicContact OE2-CZ 3.49Å; E98-R153 IonicContact OE2-NH1 3.72Å; E98-R153 PolarHBondContact OE2-NH1 3.11Å; E98-R153 IonicContact OE2-NH2 3.7Å; E98-R153 PolarHBondContact OE2-NH2 3.16Å
99	R	75.4	Confident	70.9	Confident	208 Å²	208	92.6 Å²	92.6	79%	0.785	46%	0.457	S	S	*	.	H	α-helix	trans	-68.1	-45.8	173	-168.2	177.4	-175.7	-177.7	1	112.2	A95 D96 W97 F101 C102	A95-R99 PolarHBondContact O-N 2.83Å; A95-R99 VanDerWaalsContact O-N 3.13Å; D96-R99 PolarHBondContact O-N 3.17Å; W97-R99 PolarHBondContact O-N 3.14Å; R99-F101 VanDerWaalsContact C-N 3.29Å; R99-F101 PolarHBondContact O-N 2.95Å; R99-C102 WeakPolarHBondContact O-CB 3.48Å; R99-C102 PolarHBondContact O-N 3.2Å; R99-C102 VanDerWaalsContact O-N 3.1Å
100	Y	75.4	Confident	73.2	Confident	108 Å²	108	96.1 Å²	96.1	42%	0.424	48%	0.475	S	S	.	.	H	α-helix	trans	-59.2	-41.3	178.3	-178.2	-95.1	0	0	0	111.9	D96 W97 C102 K264 K267	D96-Y100 WeakPolarHBondContact O-CB 3.32Å; D96-Y100 PolarHBondContact O-N 3.43Å; W97-Y100 HydrophobicContact CE3-CD1 4.08Å; W97-Y100 HydrophobicContact CE3-CG 4.38Å; W97-Y100 HydrophobicContact CZ3-CD1 4.02Å; W97-Y100 HydrophobicContact CZ3-CE1 4.38Å; W97-Y100 HydrophobicContact CZ3-CG 4.45Å; W97-Y100 PolarHBondContact O-N 2.95Å; Y100-C102 VanDerWaalsContact C-N 3.29Å; Y100-C102 PolarHBondContact O-N 2.83Å; Y100-K264 HydrophobicContact CE1-CG 4.47Å; Y100-K264 WeakPolarHBondContact O-CE 3.32Å; Y100-K264 PolarHBondContact O-NZ 2.91Å; Y100-K267 HydrophobicContact CE1-CD 3.84Å
101	F	83.1	Confident	75.8	Confident	11 Å²	11	94.3 Å²	94.3	5%	0.048	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	6.4	178.6	-61.7	-57.4	0	0	0	114.4	W97 R99 Y103 W152 K264 K267 L268 K271	W97-F101 HydrophobicContact CB-CD2 4.3Å; W97-F101 HydrophobicContact CB-CE2 4.27Å; W97-F101 HydrophobicContact CD2-CE2 4.16Å; W97-F101 HydrophobicContact CE3-CD2 4.17Å; W97-F101 AromaticContact CE3-CE2 3.33Å; W97-F101 HydrophobicContact CE3-CE2 3.33Å; W97-F101 AromaticContact CE3-CZ 3.68Å; W97-F101 HydrophobicContact CE3-CZ 3.68Å; W97-F101 HydrophobicContact CZ3-CE2 4.01Å; W97-F101 AromaticContact CZ3-CZ 3.85Å; W97-F101 HydrophobicContact CZ3-CZ 3.85Å; W97-F101 WeakPolarHBondContact O-CB 3.28Å; W97-F101 WeakPolarHBondContact O-CD2 3.32Å; W97-F101 PolarHBondContact O-N 3.47Å; R99-F101 VanDerWaalsContact C-N 3.29Å; R99-F101 PolarHBondContact O-N 2.95Å; F101-Y103 PolarHBondContact O-N 3.3Å; F101-Y103 VanDerWaalsContact O-N 3.14Å; F101-W152 HydrophobicContact CD2-CZ3 4.23Å; F101-K264 HydrophobicContact CD1-CG 4.12Å; F101-K267 HydrophobicContact CE1-CB 4.19Å; F101-K267 HydrophobicContact CE1-CG 4.42Å; F101-K267 HydrophobicContact CZ-CB 4.38Å; F101-K267 HydrophobicContact CZ-CG 4.19Å; F101-L268 HydrophobicContact CB-CD2 4.37Å; F101-L268 HydrophobicContact CD1-CB 3.8Å; F101-L268 HydrophobicContact CD1-CD1 4.34Å; F101-L268 HydrophobicContact CD1-CD2 4.27Å; F101-L268 HydrophobicContact CD1-CG 4.36Å; F101-L268 HydrophobicContact CD2-CD1 3.82Å; F101-L268 HydrophobicContact CE1-CB 3.61Å; F101-L268 HydrophobicContact CE1-CD1 4.44Å; F101-L268 HydrophobicContact CE1-CG 4.49Å; F101-L268 HydrophobicContact CE2-CD1 3.92Å; F101-L268 HydrophobicContact CG-CB 4.37Å; F101-L268 HydrophobicContact CG-CD1 4.05Å; F101-L268 HydrophobicContact CG-CD2 4.27Å; F101-L268 HydrophobicContact CG-CG 4.46Å; F101-L268 HydrophobicContact CZ-CB 4.01Å; F101-L268 HydrophobicContact CZ-CD1 4.24Å; F101-K271 HydrophobicContact CE2-CD 3.93Å; F101-K271 HydrophobicContact CZ-CD 4.24Å
102	C	81.6	Confident	78.4	Confident	30 Å²	30	89.1 Å²	89.1	20%	0.203	44%	0.443	C	S	.	.			trans	-53.6	122.6	178.8	-175.3	0	0	0	0	110.8	E98 R99 Y100 D105 K264	E98-C102 PolarHBondContact O-N 3.26Å; E98-C102 VanDerWaalsContact O-N 3.16Å; R99-C102 WeakPolarHBondContact O-CB 3.48Å; R99-C102 PolarHBondContact O-N 3.2Å; R99-C102 VanDerWaalsContact O-N 3.1Å; Y100-C102 VanDerWaalsContact C-N 3.29Å; Y100-C102 PolarHBondContact O-N 2.83Å; C102-D105 PolarHBondContact SG-OD2 3.39Å; C102-K264 PolarHBondContact O-NZ 2.94Å
103	Y	88.3	Confident	80.7	Confident	41 Å²	41	92.4 Å²	92.4	16%	0.161	47%	0.465	C	S	.	.			trans	-99.1	-10.2	177	61.7	-93.3	0	0	0	111.8	F101 D105 I106 R142 Q146	F101-Y103 PolarHBondContact O-N 3.3Å; F101-Y103 VanDerWaalsContact O-N 3.14Å; Y103-D105 PolarHBondContact O-N 3.26Å; Y103-I106 WeakPolarHBondContact O-CB 3.33Å; Y103-I106 PolarHBondContact O-N 3.46Å; Y103-I106 VanDerWaalsContact O-N 3.11Å; Y103-R142 HydrophobicContact CD2-CG 4.13Å; Y103-R142 PolarHBondContact O-NH1 2.75Å; Y103-Q146 HydrophobicContact CD1-CB 4.13Å; Y103-Q146 HydrophobicContact CD1-CG 4.39Å; Y103-Q146 HydrophobicContact CD2-CB 4.01Å; Y103-Q146 HydrophobicContact CD2-CG 4.22Å; Y103-Q146 HydrophobicContact CE1-CB 4.13Å; Y103-Q146 HydrophobicContact CE1-CG 3.88Å; Y103-Q146 HydrophobicContact CE2-CB 4Å; Y103-Q146 VanDerWaalsContact CE2-CD 3.49Å; Y103-Q146 HydrophobicContact CE2-CG 3.68Å; Y103-Q146 HydrophobicContact CG-CB 4.08Å; Y103-Q146 PolarHBondContact OH-NE2 2.83Å
104	K	86.9	Confident	82.5	Confident	143 Å²	143	83.1 Å²	83.1	62%	0.622	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-31.1	-174.3	-65.2	-178.8	177.7	177	0	112.2	I106 R142	K104-I106 VanDerWaalsContact C-N 3.28Å; K104-I106 PolarHBondContact O-N 3.46Å; K104-R142 PolarHBondContact O-NH1 3.29Å
105	D	86.4	Confident	84.2	Confident	134 Å²	134	80.2 Å²	80.2	72%	0.717	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-2.8	-179.5	-46.2	-48.9	0	0	0	113.1	C102 Y103 E107	C102-D105 PolarHBondContact SG-OD2 3.39Å; Y103-D105 PolarHBondContact O-N 3.26Å; D105-E107 PolarHBondContact O-N 3.23Å
106	I	91.7	Very high	85.8	Confident	18 Å²	18	81.7 Å²	81.7	9%	0.092	41%	0.414	C	S	.	.			trans	-90.9	105.2	176.7	-56.3	175.3	0	0	0	108.2	Y103 K104 R142 L145	Y103-I106 WeakPolarHBondContact O-CB 3.33Å; Y103-I106 PolarHBondContact O-N 3.46Å; Y103-I106 VanDerWaalsContact O-N 3.11Å; K104-I106 VanDerWaalsContact C-N 3.28Å; K104-I106 PolarHBondContact O-N 3.46Å; I106-R142 HydrophobicContact CB-CB 4.23Å; I106-R142 HydrophobicContact CG2-CB 4.09Å; I106-R142 WeakPolarHBondContact O-CD 3.34Å; I106-R142 PolarHBondContact O-NH1 2.91Å; I106-L145 HydrophobicContact CD1-CD1 3.41Å; I106-L145 VanDerWaalsContact CD1-CD1 3.41Å
107	E	91.4	Very high	87.2	Confident	174 Å²	174	78.4 Å²	78.4	81%	0.813	40%	0.396	S	S	*	.			trans	-68.1	143.1	176	-64.8	-175.3	172.5	0	0	111.3	D105 H140	D105-E107 PolarHBondContact O-N 3.23Å; E107-H140 PolarHBondContact O-CE1 2.99Å; E107-H140 VanDerWaalsContact O-CE1 3.25Å
108	V	93.9	Very high	88.2	Confident	35 Å²	35	80.4 Å²	80.4	21%	0.212	42%	0.42	C	S	.	.			trans	-100.2	115.8	173.2	-174.7	0	0	0	0	106.7	Y112 R142 Y143	V108-Y112 HydrophobicContact CG1-CD1 3.62Å; V108-Y112 HydrophobicContact CG1-CG 3.98Å; V108-R142 HydrophobicContact CG2-CB 4.15Å; V108-R142 HydrophobicContact CG2-CG 4.38Å; V108-Y143 HydrophobicContact CG2-CE2 4.29Å
109	P	92.4	Very high	89.2	Confident	67 Å²	67	79.4 Å²	79.4	44%	0.435	41%	0.414	S	S	.	.			trans	-62.3	145.2	178.8	-22.4	33.3	0	0	0	111.7	S111 Y112 H140	P109-S111 PolarHBondContact O-N 3.2Å; P109-S111 VanDerWaalsContact O-N 3.08Å; P109-Y112 WeakPolarHBondContact O-CB 3.45Å; P109-Y112 PolarHBondContact O-N 3.28Å; P109-H140 WeakPolarHBondContact CD-NE2 3.41Å
110	D	90.8	Very high	90.1	Very high	176 Å²	176	75.1 Å²	75.1	94%	0.941	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.2	175.8	-65.1	-34.1	0	0	0	113.1	Y112	D110-Y112 PolarHBondContact O-N 3.22Å
111	S	93.4	Very high	91	Very high	102 Å²	102	70.7 Å²	70.7	71%	0.713	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-7.2	174.3	59.6	0	0	0	0	113.9	P109 C113	P109-S111 PolarHBondContact O-N 3.2Å; P109-S111 VanDerWaalsContact O-N 3.08Å; S111-C113 PolarHBondContact O-N 3.22Å
112	Y	94.2	Very high	91.6	Very high	38 Å²	38	73.7 Å²	73.7	15%	0.149	42%	0.416	C	S	.	.			trans	-76.2	106.2	179.3	179.6	-111.7	0	0	0	111.5	V108 P109 D110 G114 P115 H116 Q138 L139 H140 Y143	V108-Y112 HydrophobicContact CG1-CD1 3.62Å; V108-Y112 HydrophobicContact CG1-CG 3.98Å; P109-Y112 WeakPolarHBondContact O-CB 3.45Å; P109-Y112 PolarHBondContact O-N 3.28Å; D110-Y112 PolarHBondContact O-N 3.22Å; Y112-G114 VanDerWaalsContact CE1-C 3.49Å; Y112-G114 WeakPolarHBondContact CE1-O 3.41Å; Y112-G114 WeakPolarHBondContact OH-CA 3.29Å; Y112-P115 WeakPolarHBondContact OH-CD 3.28Å; Y112-H116 AromaticContact CD1-CE1 3.52Å; Y112-Q138 PolarHBondContact OH-O 3.39Å; Y112-L139 WeakPolarHBondContact OH-CA 3.45Å; Y112-H140 HydrophobicContact CD1-CB 4.18Å; Y112-H140 HydrophobicContact CD2-CB 4.26Å; Y112-H140 HydrophobicContact CE1-CB 3.8Å; Y112-H140 HydrophobicContact CE2-CB 3.88Å; Y112-H140 HydrophobicContact CG-CB 4.41Å; Y112-H140 PolarHBondContact OH-N 3.35Å; Y112-Y143 HydrophobicContact CE1-CD2 4.36Å; Y112-Y143 AromaticContact CE1-CE2 3.98Å; Y112-Y143 HydrophobicContact CE1-CE2 3.98Å
113	C	90.6	Very high	92.3	Very high	119 Å²	119	76.2 Å²	76.2	80%	0.804	42%	0.424	S	S	*	.			trans	-91.2	5	-179.6	-58.4	0	0	0	0	114.7	S111	S111-C113 PolarHBondContact O-N 3.22Å
114	G	92	Very high	92.7	Very high	12 Å²	12	77.7 Å²	77.7	12%	0.124	44%	0.439	C	S	.	.	S	Bend	trans	-83.5	-177.4	-178.3	0	0	0	0	0	113.7	Y112 H116	Y112-G114 VanDerWaalsContact CE1-C 3.49Å; Y112-G114 WeakPolarHBondContact CE1-O 3.41Å; Y112-G114 WeakPolarHBondContact OH-CA 3.29Å; G114-H116 PolarHBondContact O-N 2.95Å; G114-H116 PolarHBondContact O-ND1 3.04Å
115	P	93.4	Very high	93.1	Very high	13 Å²	13	71.3 Å²	71.3	8%	0.084	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-65.6	130	-176	26.7	-35.1	0	0	0	111.8	Y112 L117 K128 A132 L139	Y112-P115 WeakPolarHBondContact OH-CD 3.28Å; P115-L117 HydrophobicContact CB-CD2 4.33Å; P115-K128 HydrophobicContact CB-CB 4.37Å; P115-A132 HydrophobicContact CB-CB 4.43Å; P115-A132 HydrophobicContact CG-CB 3.61Å; P115-L139 HydrophobicContact CG-CD1 3.74Å
116	H	93.8	Very high	93.6	Very high	100 Å²	100	64.9 Å²	64.9	46%	0.463	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-95.1	122.5	169.8	-70.4	61.8	0	0	0	109.1	Y112 G114 Y143	Y112-H116 AromaticContact CD1-CE1 3.52Å; G114-H116 PolarHBondContact O-N 2.95Å; G114-H116 PolarHBondContact O-ND1 3.04Å; H116-Y143 AromaticContact CD2-CZ 3.99Å; H116-Y143 PolarHBondContact CD2-OH 3.05Å
117	L	93.4	Very high	93.8	Very high	13 Å²	13	65.7 Å²	65.7	7%	0.068	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-103.4	137.8	-174.5	-55.2	-175.8	0	0	0	110.8	P115 F119 M121 L139 Y143 I147	P115-L117 HydrophobicContact CB-CD2 4.33Å; L117-F119 HydrophobicContact CB-CE2 4Å; L117-M121 HydrophobicContact CD1-CE 4.22Å; L117-L139 HydrophobicContact CD1-CD1 4.13Å; L117-L139 HydrophobicContact CD1-CD2 4.21Å; L117-L139 HydrophobicContact CG-CD1 4.4Å; L117-Y143 HydrophobicContact CB-CD1 3.98Å; L117-Y143 HydrophobicContact CB-CE1 4.5Å; L117-Y143 HydrophobicContact CB-CG 4.36Å; L117-Y143 HydrophobicContact CG-CD1 4.47Å; L117-Y143 HydrophobicContact CG-CG 4.37Å; L117-I147 HydrophobicContact CD1-CD1 3.64Å; L117-I147 HydrophobicContact CD1-CG1 4.19Å
118	A	92.1	Very high	94.1	Very high	75 Å²	75	62.9 Å²	62.9	62%	0.62	37%	0.372	S	S	*	.			trans	-109.7	150.9	172.8	0	0	0	0	0	109.7
119	F	92.2	Very high	94.2	Very high	51 Å²	51	61.2 Å²	61.2	22%	0.224	36%	0.362	C	S	.	.	S	Bend	trans	-124.8	142.9	-178.6	-74	-103.2	0	0	0	110.4	L117 M121 Q146 I147 E150 L226	L117-F119 HydrophobicContact CB-CE2 4Å; F119-M121 HydrophobicContact CD1-CB 4.42Å; F119-M121 HydrophobicContact CE1-CB 4.38Å; F119-M121 HydrophobicContact CE1-CE 3.74Å; F119-M121 HydrophobicContact CE2-CE 4.26Å; F119-M121 HydrophobicContact CZ-CE 3.51Å; F119-Q146 HydrophobicContact CD1-CG 4.41Å; F119-Q146 HydrophobicContact CD2-CG 3.74Å; F119-Q146 HydrophobicContact CE1-CG 4.1Å; F119-Q146 HydrophobicContact CE2-CB 4.09Å; F119-Q146 HydrophobicContact CE2-CG 3.38Å; F119-Q146 HydrophobicContact CG-CG 4.23Å; F119-Q146 HydrophobicContact CZ-CB 4.13Å; F119-Q146 HydrophobicContact CZ-CG 3.57Å; F119-I147 HydrophobicContact CZ-CG1 3.8Å; F119-E150 HydrophobicContact CD1-CG 3.73Å; F119-E150 HydrophobicContact CE1-CB 4.3Å; F119-E150 HydrophobicContact CE1-CG 3.79Å; F119-L226 HydrophobicContact CE1-CD1 4.37Å
120	P	94.1	Very high	94.4	Very high	118 Å²	118	58.9 Å²	58.9	77%	0.766	35%	0.345	S	S	*	.	S	Bend	cis	-62.3	146.2	6.3	26.8	-35.4	0	0	0	113.3	T122	P120-T122 PolarHBondContact O-N 3.2Å
121	M	95.6	Very high	94.6	Very high	15 Å²	15	55.2 Å²	55.2	7%	0.074	32%	0.322	C	S	.	.			trans	-59	136.1	-175.4	-174.8	62.9	75.3	0	0	109.6	L117 F119 V126 I147 L226 V227	L117-M121 HydrophobicContact CD1-CE 4.22Å; F119-M121 HydrophobicContact CD1-CB 4.42Å; F119-M121 HydrophobicContact CE1-CB 4.38Å; F119-M121 HydrophobicContact CE1-CE 3.74Å; F119-M121 HydrophobicContact CE2-CE 4.26Å; F119-M121 HydrophobicContact CZ-CE 3.51Å; M121-V126 HydrophobicContact CG-CG2 3.78Å; M121-V126 HydrophobicContact SD-CG2 3.97Å; M121-I147 HydrophobicContact CE-CD1 4.05Å; M121-I147 HydrophobicContact CE-CG1 3.65Å; M121-L226 HydrophobicContact CB-CB 3.88Å; M121-L226 HydrophobicContact CB-CD1 4.38Å; M121-L226 HydrophobicContact CG-CB 4.32Å; M121-V227 HydrophobicContact CB-CG2 4.17Å; M121-V227 HydrophobicContact CG-CG2 3.64Å
122	T	96.4	Very high	94.8	Very high	74 Å²	74	50.6 Å²	50.6	45%	0.454	29%	0.29	S	S	.	.			trans	-119.7	159.2	178.5	63.8	0	0	0	0	110.7	P120 C124 G125 V126	P120-T122 PolarHBondContact O-N 3.2Å; T122-C124 PolarHBondContact O-N 3.21Å; T122-G125 WeakPolarHBondContact O-CA 3.41Å; T122-G125 PolarHBondContact O-N 2.94Å; T122-G125 PolarHBondContact OG1-N 3.43Å; T122-V126 PolarHBondContact O-N 3.03Å
123	F	95.9	Very high	94.9	Very high	83 Å²	83	49.1 Å²	49.1	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-54.1	-37.3	173.2	178.1	-97.3	0	0	0	112.9	V126 S127 L194 F224 V227 Y228	F123-V126 PolarHBondContact O-N 2.92Å; F123-S127 WeakPolarHBondContact CE1-OG 3.46Å; F123-S127 WeakPolarHBondContact O-CB 3.4Å; F123-S127 PolarHBondContact O-N 2.92Å; F123-S127 PolarHBondContact O-OG 3.32Å; F123-L194 HydrophobicContact CE2-CB 4.21Å; F123-L194 HydrophobicContact CE2-CD1 3.87Å; F123-L194 HydrophobicContact CZ-CD1 3.64Å; F123-F224 HydrophobicContact CD2-CE1 4.22Å; F123-F224 HydrophobicContact CE2-CE1 4.21Å; F123-V227 HydrophobicContact CB-CG1 4.41Å; F123-Y228 HydrophobicContact CD2-CE2 4.27Å
124	C	95.9	Very high	95.1	Very high	72 Å²	72	48.9 Å²	48.9	49%	0.486	27%	0.27	S	S	.	.	H	α-helix	trans	-63.4	-40.3	174.5	-177.2	0	0	0	0	111.8	T122 S127 K128	T122-C124 PolarHBondContact O-N 3.21Å; C124-S127 PolarHBondContact O-N 3.47Å; C124-K128 WeakPolarHBondContact O-CG 3.42Å; C124-K128 PolarHBondContact O-N 3.48Å
125	G	96.2	Very high	95.2	Very high	8 Å²	8	54 Å²	54	8%	0.082	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-47.8	173.9	0	0	0	0	0	112.6	T122 S127 K128 L129	T122-G125 WeakPolarHBondContact O-CA 3.41Å; T122-G125 PolarHBondContact O-N 2.94Å; T122-G125 PolarHBondContact OG1-N 3.43Å; G125-S127 PolarHBondContact O-N 3.46Å; G125-K128 PolarHBondContact O-N 3.28Å; G125-L129 PolarHBondContact O-N 3.04Å
126	V	96.8	Very high	95.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-38.8	177.5	-175.7	0	0	0	0	111.4	M121 T122 F123 K128 L129 M130 G223 F224 V227	M121-V126 HydrophobicContact CG-CG2 3.78Å; M121-V126 HydrophobicContact SD-CG2 3.97Å; T122-V126 PolarHBondContact O-N 3.03Å; F123-V126 PolarHBondContact O-N 2.92Å; V126-K128 PolarHBondContact O-N 3.47Å; V126-L129 WeakPolarHBondContact O-CB 3.4Å; V126-L129 PolarHBondContact O-N 2.98Å; V126-M130 HydrophobicContact CG1-CG 4.47Å; V126-M130 HydrophobicContact CG1-SD 4.41Å; V126-M130 WeakPolarHBondContact O-CG 3.35Å; V126-M130 PolarHBondContact O-N 2.96Å; V126-G223 WeakPolarHBondContact CG2-O 3.45Å; V126-F224 HydrophobicContact CB-CE1 4.46Å; V126-F224 HydrophobicContact CG1-CD1 4.07Å; V126-F224 HydrophobicContact CG1-CD2 3.87Å; V126-F224 HydrophobicContact CG1-CE1 3.84Å; V126-F224 HydrophobicContact CG1-CE2 3.64Å; V126-F224 HydrophobicContact CG1-CG 4.07Å; V126-F224 HydrophobicContact CG1-CZ 3.6Å; V126-V227 HydrophobicContact CG2-CG2 3.76Å
127	S	96.1	Very high	95.2	Very high	34 Å²	34	61.2 Å²	61.2	24%	0.238	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-43.1	176.7	-60.8	0	0	0	0	112	F123 C124 G125 L129 M130 E131	F123-S127 WeakPolarHBondContact CE1-OG 3.46Å; F123-S127 WeakPolarHBondContact O-CB 3.4Å; F123-S127 PolarHBondContact O-N 2.92Å; F123-S127 PolarHBondContact O-OG 3.32Å; C124-S127 PolarHBondContact O-N 3.47Å; G125-S127 PolarHBondContact O-N 3.46Å; S127-L129 VanDerWaalsContact C-N 3.32Å; S127-L129 PolarHBondContact O-N 2.85Å; S127-M130 PolarHBondContact O-N 3.49Å; S127-E131 PolarHBondContact O-N 3.45Å
128	K	95.9	Very high	95.3	Very high	116 Å²	116	64.9 Å²	64.9	50%	0.504	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-40.5	173.7	-73.5	175	-179.8	-179.8	0	111.9	P115 C124 G125 V126 A132	P115-K128 HydrophobicContact CB-CB 4.37Å; C124-K128 WeakPolarHBondContact O-CG 3.42Å; C124-K128 PolarHBondContact O-N 3.48Å; G125-K128 PolarHBondContact O-N 3.28Å; V126-K128 PolarHBondContact O-N 3.47Å; K128-A132 WeakPolarHBondContact O-CB 3.35Å; K128-A132 PolarHBondContact O-N 3.48Å
129	L	96.4	Very high	95.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.5	-47.6	176.6	-177.3	68.2	0	0	0	111.5	G125 V126 S127 A132 F133 L139 I147 L219 I220	G125-L129 PolarHBondContact O-N 3.04Å; V126-L129 WeakPolarHBondContact O-CB 3.4Å; V126-L129 PolarHBondContact O-N 2.98Å; S127-L129 VanDerWaalsContact C-N 3.32Å; S127-L129 PolarHBondContact O-N 2.85Å; L129-A132 PolarHBondContact O-N 3Å; L129-F133 HydrophobicContact CD1-CD2 4.22Å; L129-F133 HydrophobicContact CD1-CE1 3.91Å; L129-F133 HydrophobicContact CD1-CE2 3.47Å; L129-F133 VanDerWaalsContact CD1-CE2 3.47Å; L129-F133 HydrophobicContact CD1-CZ 3.3Å; L129-F133 HydrophobicContact CD2-CE2 4.02Å; L129-F133 HydrophobicContact CG-CD2 4.02Å; L129-F133 HydrophobicContact CG-CE2 3.52Å; L129-F133 HydrophobicContact CG-CZ 3.94Å; L129-F133 WeakPolarHBondContact O-CG 3.41Å; L129-F133 PolarHBondContact O-N 2.9Å; L129-L139 HydrophobicContact CD1-CB 4.46Å; L129-L139 HydrophobicContact CD1-CD1 4.03Å; L129-L139 HydrophobicContact CD1-CD2 3.82Å; L129-L139 HydrophobicContact CD1-CG 4.32Å; L129-I147 HydrophobicContact CD2-CD1 4.12Å; L129-L219 HydrophobicContact CD2-CB 4.19Å; L129-I220 HydrophobicContact CD2-CG1 4.49Å
130	M	96.7	Very high	95.8	Very high	17 Å²	17	60.6 Å²	60.6	8%	0.084	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-46.3	178.5	-72	179.4	65.1	0	0	112.5	V126 S127 A132 F133 K134 L186 F189 L194 I220 F224	V126-M130 HydrophobicContact CG1-CG 4.47Å; V126-M130 HydrophobicContact CG1-SD 4.41Å; V126-M130 WeakPolarHBondContact O-CG 3.35Å; V126-M130 PolarHBondContact O-N 2.96Å; S127-M130 PolarHBondContact O-N 3.49Å; M130-A132 VanDerWaalsContact C-N 3.34Å; M130-A132 PolarHBondContact O-N 3.41Å; M130-F133 PolarHBondContact O-N 3.48Å; M130-K134 WeakPolarHBondContact O-CB 3.37Å; M130-K134 PolarHBondContact O-N 2.87Å; M130-L186 HydrophobicContact CE-CD2 3.64Å; M130-F189 HydrophobicContact CE-CD2 3.51Å; M130-F189 HydrophobicContact CE-CE2 4.07Å; M130-F189 HydrophobicContact CE-CG 4.44Å; M130-F189 HydrophobicContact SD-CD2 4.46Å; M130-L194 HydrophobicContact CE-CD2 3.6Å; M130-L194 HydrophobicContact SD-CD2 3.85Å; M130-I220 HydrophobicContact CG-CD1 3.95Å; M130-I220 HydrophobicContact CG-CG1 3.85Å; M130-I220 HydrophobicContact CG-CG2 3.99Å; M130-I220 HydrophobicContact SD-CG2 4.22Å; M130-F224 HydrophobicContact SD-CE2 3.57Å; M130-F224 VanDerWaalsContact SD-CE2 3.57Å; M130-F224 HydrophobicContact SD-CZ 3.66Å
131	E	96.1	Very high	95.9	Very high	100 Å²	100	55.3 Å²	55.3	47%	0.467	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-39.2	177.7	-74	-59.3	136.5	0	0	111.7	S127 F133 K134 L135	S127-E131 PolarHBondContact O-N 3.45Å; E131-F133 PolarHBondContact O-N 2.89Å; E131-K134 PolarHBondContact O-N 3.49Å; E131-K134 IonicContact OE1-NZ 3.73Å; E131-K134 IonicContact OE2-NZ 3.83Å; E131-L135 WeakPolarHBondContact O-CG 3.32Å; E131-L135 PolarHBondContact O-N 3.15Å
132	A	96.4	Very high	95.9	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.033	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-46.6	173.9	0	0	0	0	0	111.9	P115 K128 L129 M130 L135 K136 Q137	P115-A132 HydrophobicContact CB-CB 4.43Å; P115-A132 HydrophobicContact CG-CB 3.61Å; K128-A132 WeakPolarHBondContact O-CB 3.35Å; K128-A132 PolarHBondContact O-N 3.48Å; L129-A132 PolarHBondContact O-N 3Å; M130-A132 VanDerWaalsContact C-N 3.34Å; M130-A132 PolarHBondContact O-N 3.41Å; A132-L135 CarbonylContact O-C 3.47Å; A132-L135 WeakPolarHBondContact O-CA 3.38Å; A132-L135 PolarHBondContact O-N 3.13Å; A132-L135 VanDerWaalsContact O-N 3.16Å; A132-K136 PolarHBondContact O-N 3.38Å; A132-Q137 HydrophobicContact CB-CB 4.18Å; A132-Q137 WeakPolarHBondContact O-CB 3.36Å; A132-Q137 PolarHBondContact O-N 3.21Å
133	F	96.8	Very high	95.9	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.035	26%	0.264	C	S	.	.	H	α-helix	trans	-68.5	-35.7	179.3	-66.4	-21.3	0	0	0	113.4	L129 M130 E131 L135 K136 Q137 L139 L182 E216 L219 I220	L129-F133 HydrophobicContact CD1-CD2 4.22Å; L129-F133 HydrophobicContact CD1-CE1 3.91Å; L129-F133 HydrophobicContact CD1-CE2 3.47Å; L129-F133 VanDerWaalsContact CD1-CE2 3.47Å; L129-F133 HydrophobicContact CD1-CZ 3.3Å; L129-F133 HydrophobicContact CD2-CE2 4.02Å; L129-F133 HydrophobicContact CG-CD2 4.02Å; L129-F133 HydrophobicContact CG-CE2 3.52Å; L129-F133 HydrophobicContact CG-CZ 3.94Å; L129-F133 WeakPolarHBondContact O-CG 3.41Å; L129-F133 PolarHBondContact O-N 2.9Å; M130-F133 PolarHBondContact O-N 3.48Å; E131-F133 PolarHBondContact O-N 2.89Å; F133-L135 PolarHBondContact O-N 2.96Å; F133-K136 WeakPolarHBondContact O-CA 3.44Å; F133-K136 PolarHBondContact O-N 2.91Å; F133-Q137 WeakPolarHBondContact CD1-O 3.15Å; F133-L139 HydrophobicContact CE1-CB 3.93Å; F133-L139 HydrophobicContact CZ-CB 4.09Å; F133-L182 HydrophobicContact CB-CD2 4.02Å; F133-E216 HydrophobicContact CB-CB 4.23Å; F133-E216 HydrophobicContact CB-CG 4.05Å; F133-E216 HydrophobicContact CD1-CB 4.36Å; F133-E216 HydrophobicContact CD1-CG 3.62Å; F133-E216 HydrophobicContact CD2-CB 3.53Å; F133-E216 HydrophobicContact CD2-CG 3.75Å; F133-E216 HydrophobicContact CE1-CG 3.87Å; F133-E216 HydrophobicContact CE2-CB 3.83Å; F133-E216 HydrophobicContact CE2-CG 3.99Å; F133-E216 HydrophobicContact CG-CB 3.82Å; F133-E216 HydrophobicContact CG-CG 3.55Å; F133-E216 HydrophobicContact CZ-CB 4.35Å; F133-E216 HydrophobicContact CZ-CG 4.04Å; F133-L219 HydrophobicContact CE2-CB 4.01Å; F133-L219 HydrophobicContact CE2-CD1 4.37Å; F133-L219 HydrophobicContact CZ-CB 4.28Å; F133-L219 HydrophobicContact CZ-CD1 3.83Å; F133-I220 HydrophobicContact CD2-CD1 3.85Å; F133-I220 HydrophobicContact CD2-CG1 3.87Å; F133-I220 HydrophobicContact CE2-CG1 4.2Å
134	K	93.9	Very high	96	Very high	113 Å²	113	50.9 Å²	50.9	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-60.7	-35.2	170.9	-176.4	-178	174.5	-168.9	0	112.1	M130 E131 K136 L186	M130-K134 WeakPolarHBondContact O-CB 3.37Å; M130-K134 PolarHBondContact O-N 2.87Å; E131-K134 PolarHBondContact O-N 3.49Å; E131-K134 IonicContact OE1-NZ 3.73Å; E131-K134 IonicContact OE2-NZ 3.83Å; K134-K136 PolarHBondContact O-N 3.48Å; K134-L186 HydrophobicContact CB-CD1 4.18Å; K134-L186 HydrophobicContact CG-CD1 4.26Å
135	L	94.6	Very high	96.1	Very high	119 Å²	119	47.5 Å²	47.5	62%	0.623	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	9.1	172.6	-63.9	175.7	0	0	0	113.6	E131 A132 F133 Q137	E131-L135 WeakPolarHBondContact O-CG 3.32Å; E131-L135 PolarHBondContact O-N 3.15Å; A132-L135 CarbonylContact O-C 3.47Å; A132-L135 WeakPolarHBondContact O-CA 3.38Å; A132-L135 PolarHBondContact O-N 3.13Å; A132-L135 VanDerWaalsContact O-N 3.16Å; F133-L135 PolarHBondContact O-N 2.96Å; L135-Q137 HydrophobicContact CB-CG 4.2Å; L135-Q137 PolarHBondContact O-N 2.76Å
136	K	93.6	Very high	96	Very high	186 Å²	186	48.1 Å²	48.1	81%	0.809	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	28.8	-178.2	-56.2	-176.7	178.1	-179	0	113.9	A132 F133 K134	A132-K136 PolarHBondContact O-N 3.38Å; F133-K136 WeakPolarHBondContact O-CA 3.44Å; F133-K136 PolarHBondContact O-N 2.91Å; K134-K136 PolarHBondContact O-N 3.48Å
137	Q	94.9	Very high	96.1	Very high	80 Å²	80	48.1 Å²	48.1	37%	0.374	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-82.4	136	173	-62.2	-176.8	-1.8	0	0	110.3	A132 F133 L135	A132-Q137 HydrophobicContact CB-CB 4.18Å; A132-Q137 WeakPolarHBondContact O-CB 3.36Å; A132-Q137 PolarHBondContact O-N 3.21Å; F133-Q137 WeakPolarHBondContact CD1-O 3.15Å; L135-Q137 HydrophobicContact CB-CG 4.2Å; L135-Q137 PolarHBondContact O-N 2.76Å
138	Q	94	Very high	96.2	Very high	90 Å²	90	46.5 Å²	46.5	42%	0.421	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-83.3	135.6	177.9	-169	175.5	-60.6	0	0	111.1	Y112 K257 Y258	Y112-Q138 PolarHBondContact OH-O 3.39Å; Q138-K257 PolarHBondContact NE2-O 3.35Å; Q138-K257 PolarHBondContact OE1-O 2.98Å; Q138-Y258 HydrophobicContact CG-CE1 4.37Å
139	L	97.3	Very high	96.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-72.2	143.2	173	-174	66	0	0	0	110.2	Y112 P115 L117 L129 F133 Y143 V144 I147 L219 Y258	Y112-L139 WeakPolarHBondContact OH-CA 3.45Å; P115-L139 HydrophobicContact CG-CD1 3.74Å; L117-L139 HydrophobicContact CD1-CD1 4.13Å; L117-L139 HydrophobicContact CD1-CD2 4.21Å; L117-L139 HydrophobicContact CG-CD1 4.4Å; L129-L139 HydrophobicContact CD1-CB 4.46Å; L129-L139 HydrophobicContact CD1-CD1 4.03Å; L129-L139 HydrophobicContact CD1-CD2 3.82Å; L129-L139 HydrophobicContact CD1-CG 4.32Å; F133-L139 HydrophobicContact CE1-CB 3.93Å; F133-L139 HydrophobicContact CZ-CB 4.09Å; L139-Y143 HydrophobicContact CD1-CD2 4.06Å; L139-Y143 HydrophobicContact CD1-CG 4.31Å; L139-V144 HydrophobicContact CB-CG2 4.1Å; L139-V144 HydrophobicContact CD2-CG2 3.82Å; L139-V144 HydrophobicContact CG-CG2 4.06Å; L139-I147 HydrophobicContact CD2-CD1 3.91Å; L139-L219 HydrophobicContact CD2-CD1 4.09Å; L139-Y258 WeakPolarHBondContact O-CE1 3.48Å; L139-Y258 PolarHBondContact O-OH 3.05Å
140	H	97.4	Very high	96.1	Very high	34 Å²	34	44.7 Å²	44.7	16%	0.157	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-66.6	142.9	175.5	-165.4	-96.6	0	0	0	111.5	E107 P109 Y112 R142 Y143 V144	E107-H140 PolarHBondContact O-CE1 2.99Å; E107-H140 VanDerWaalsContact O-CE1 3.25Å; P109-H140 WeakPolarHBondContact CD-NE2 3.41Å; Y112-H140 HydrophobicContact CD1-CB 4.18Å; Y112-H140 HydrophobicContact CD2-CB 4.26Å; Y112-H140 HydrophobicContact CE1-CB 3.8Å; Y112-H140 HydrophobicContact CE2-CB 3.88Å; Y112-H140 HydrophobicContact CG-CB 4.41Å; Y112-H140 PolarHBondContact OH-N 3.35Å; H140-R142 WeakPolarHBondContact ND1-CB 3.48Å; H140-R142 PolarHBondContact ND1-N 3.47Å; H140-R142 PolarHBondContact O-N 2.91Å; H140-R142 VanDerWaalsContact O-N 3.12Å; H140-Y143 HydrophobicContact CB-CD2 3.74Å; H140-Y143 HydrophobicContact CB-CE2 4.1Å; H140-Y143 PolarHBondContact O-N 2.96Å; H140-V144 PolarHBondContact O-N 2.95Å; H140-V144 VanDerWaalsContact O-N 3.11Å
141	A	96.1	Very high	96.2	Very high	8 Å²	8	43.9 Å²	43.9	7%	0.066	21%	0.206	C	C	.	.	H	α-helix	trans	-56	-34.4	-176.5	0	0	0	0	0	113.6	Y143 V144 L145 Y258 H261	A141-Y143 PolarHBondContact O-N 2.83Å; A141-V144 PolarHBondContact O-N 3.37Å; A141-L145 WeakPolarHBondContact O-CG 3.42Å; A141-L145 PolarHBondContact O-N 2.77Å; A141-Y258 HydrophobicContact CB-CD1 3.81Å; A141-Y258 HydrophobicContact CB-CE1 4.15Å; A141-H261 HydrophobicContact CB-CB 4.01Å; A141-H261 VanDerWaalsContact CB-CD2 3.47Å; A141-H261 WeakPolarHBondContact CB-CD2 3.5Å
142	R	96	Very high	96.1	Very high	60 Å²	60	39.5 Å²	39.5	23%	0.226	19%	0.185	C	C	.	.	H	α-helix	trans	-53	-52	172.9	-178.2	-172.2	179.6	91.5	-2.9	111.5	Y103 K104 I106 V108 H140 L145 Q146	Y103-R142 HydrophobicContact CD2-CG 4.13Å; Y103-R142 PolarHBondContact O-NH1 2.75Å; K104-R142 PolarHBondContact O-NH1 3.29Å; I106-R142 HydrophobicContact CB-CB 4.23Å; I106-R142 HydrophobicContact CG2-CB 4.09Å; I106-R142 WeakPolarHBondContact O-CD 3.34Å; I106-R142 PolarHBondContact O-NH1 2.91Å; V108-R142 HydrophobicContact CG2-CB 4.15Å; V108-R142 HydrophobicContact CG2-CG 4.38Å; H140-R142 WeakPolarHBondContact ND1-CB 3.48Å; H140-R142 PolarHBondContact ND1-N 3.47Å; H140-R142 PolarHBondContact O-N 2.91Å; H140-R142 VanDerWaalsContact O-N 3.12Å; R142-L145 PolarHBondContact O-N 2.93Å; R142-Q146 WeakPolarHBondContact O-CB 3.44Å; R142-Q146 PolarHBondContact O-N 3.46Å
143	Y	97.4	Very high	96	Very high	19 Å²	19	45.1 Å²	45.1	8%	0.075	21%	0.206	C	C	.	.	H	α-helix	trans	-73.3	-32.4	-177.4	-58.7	-56.9	0	0	0	112.1	V108 Y112 H116 L117 L139 H140 A141 Q146 I147	V108-Y143 HydrophobicContact CG2-CE2 4.29Å; Y112-Y143 HydrophobicContact CE1-CD2 4.36Å; Y112-Y143 AromaticContact CE1-CE2 3.98Å; Y112-Y143 HydrophobicContact CE1-CE2 3.98Å; H116-Y143 AromaticContact CD2-CZ 3.99Å; H116-Y143 PolarHBondContact CD2-OH 3.05Å; L117-Y143 HydrophobicContact CB-CD1 3.98Å; L117-Y143 HydrophobicContact CB-CE1 4.5Å; L117-Y143 HydrophobicContact CB-CG 4.36Å; L117-Y143 HydrophobicContact CG-CD1 4.47Å; L117-Y143 HydrophobicContact CG-CG 4.37Å; L139-Y143 HydrophobicContact CD1-CD2 4.06Å; L139-Y143 HydrophobicContact CD1-CG 4.31Å; H140-Y143 HydrophobicContact CB-CD2 3.74Å; H140-Y143 HydrophobicContact CB-CE2 4.1Å; H140-Y143 PolarHBondContact O-N 2.96Å; A141-Y143 PolarHBondContact O-N 2.83Å; Y143-Q146 PolarHBondContact O-N 2.87Å; Y143-I147 WeakPolarHBondContact O-CG1 3.48Å; Y143-I147 PolarHBondContact O-N 3.38Å
144	V	97.9	Very high	96	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58	-56.2	170.8	176.3	0	0	0	0	110	L139 H140 A141 Q146 I147 L148 L219 Y258 I265	L139-V144 HydrophobicContact CB-CG2 4.1Å; L139-V144 HydrophobicContact CD2-CG2 3.82Å; L139-V144 HydrophobicContact CG-CG2 4.06Å; H140-V144 PolarHBondContact O-N 2.95Å; H140-V144 VanDerWaalsContact O-N 3.11Å; A141-V144 PolarHBondContact O-N 3.37Å; V144-Q146 PolarHBondContact O-N 3.44Å; V144-I147 PolarHBondContact O-N 3.32Å; V144-L148 HydrophobicContact CG1-CD1 3.89Å; V144-L148 HydrophobicContact CG1-CG 4.35Å; V144-L148 WeakPolarHBondContact O-CB 3.23Å; V144-L148 VanDerWaalsContact O-CG 3.25Å; V144-L148 WeakPolarHBondContact O-CG 3.28Å; V144-L148 PolarHBondContact O-N 3.37Å; V144-L219 HydrophobicContact CG1-CD1 4.44Å; V144-L219 HydrophobicContact CG1-CD2 4.26Å; V144-L219 HydrophobicContact CG2-CD1 4.02Å; V144-Y258 HydrophobicContact CG2-CE1 3.88Å; V144-Y258 HydrophobicContact CG2-CE2 4.5Å; V144-Y258 VanDerWaalsContact CG2-OH 3.3Å; V144-Y258 WeakPolarHBondContact CG2-OH 3.41Å; V144-I265 HydrophobicContact CB-CD1 4.46Å; V144-I265 HydrophobicContact CG1-CD1 3.93Å; V144-I265 HydrophobicContact CG1-CG1 4.12Å; V144-I265 HydrophobicContact CG1-CG2 4.2Å
145	L	96.6	Very high	96.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-31.9	179.7	-73.6	167.7	0	0	0	112.3	I106 A141 R142 G149 K264 I265 L268	I106-L145 HydrophobicContact CD1-CD1 3.41Å; I106-L145 VanDerWaalsContact CD1-CD1 3.41Å; A141-L145 WeakPolarHBondContact O-CG 3.42Å; A141-L145 PolarHBondContact O-N 2.77Å; R142-L145 PolarHBondContact O-N 2.93Å; L145-G149 PolarHBondContact O-N 3.44Å; L145-K264 HydrophobicContact CD1-CD 4.07Å; L145-K264 HydrophobicContact CD1-CG 4.4Å; L145-K264 HydrophobicContact CD2-CG 4.08Å; L145-I265 HydrophobicContact CD2-CG1 3.78Å; L145-I265 HydrophobicContact CG-CG1 4.02Å; L145-L268 HydrophobicContact CD2-CD2 4.17Å
146	Q	95.8	Very high	96	Very high	20 Å²	20	39 Å²	39	9%	0.093	17%	0.173	C	C	.	.	H	α-helix	trans	-66.8	-49.8	174.6	-169	171.5	14.2	0	0	112.4	Y103 F119 R142 Y143 V144 L148 G149 E150	Y103-Q146 HydrophobicContact CD1-CB 4.13Å; Y103-Q146 HydrophobicContact CD1-CG 4.39Å; Y103-Q146 HydrophobicContact CD2-CB 4.01Å; Y103-Q146 HydrophobicContact CD2-CG 4.22Å; Y103-Q146 HydrophobicContact CE1-CB 4.13Å; Y103-Q146 HydrophobicContact CE1-CG 3.88Å; Y103-Q146 HydrophobicContact CE2-CB 4Å; Y103-Q146 VanDerWaalsContact CE2-CD 3.49Å; Y103-Q146 HydrophobicContact CE2-CG 3.68Å; Y103-Q146 HydrophobicContact CG-CB 4.08Å; Y103-Q146 PolarHBondContact OH-NE2 2.83Å; F119-Q146 HydrophobicContact CD1-CG 4.41Å; F119-Q146 HydrophobicContact CD2-CG 3.74Å; F119-Q146 HydrophobicContact CE1-CG 4.1Å; F119-Q146 HydrophobicContact CE2-CB 4.09Å; F119-Q146 HydrophobicContact CE2-CG 3.38Å; F119-Q146 HydrophobicContact CG-CG 4.23Å; F119-Q146 HydrophobicContact CZ-CB 4.13Å; F119-Q146 HydrophobicContact CZ-CG 3.57Å; R142-Q146 WeakPolarHBondContact O-CB 3.44Å; R142-Q146 PolarHBondContact O-N 3.46Å; Y143-Q146 PolarHBondContact O-N 2.87Å; V144-Q146 PolarHBondContact O-N 3.44Å; Q146-L148 VanDerWaalsContact C-N 3.32Å; Q146-L148 PolarHBondContact O-N 2.9Å; Q146-G149 PolarHBondContact O-N 3.24Å; Q146-E150 WeakPolarHBondContact O-CG 3.49Å; Q146-E150 PolarHBondContact O-N 3.35Å
147	I	98.1	Very high	96	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.2	-48.7	175	-67.8	171.1	0	0	0	110	L117 F119 M121 L129 L139 Y143 V144 G149 E150 T151 L219 F222 L226	L117-I147 HydrophobicContact CD1-CD1 3.64Å; L117-I147 HydrophobicContact CD1-CG1 4.19Å; F119-I147 HydrophobicContact CZ-CG1 3.8Å; M121-I147 HydrophobicContact CE-CD1 4.05Å; M121-I147 HydrophobicContact CE-CG1 3.65Å; L129-I147 HydrophobicContact CD2-CD1 4.12Å; L139-I147 HydrophobicContact CD2-CD1 3.91Å; Y143-I147 WeakPolarHBondContact O-CG1 3.48Å; Y143-I147 PolarHBondContact O-N 3.38Å; V144-I147 PolarHBondContact O-N 3.32Å; I147-G149 VanDerWaalsContact C-N 3.35Å; I147-G149 PolarHBondContact O-N 3.24Å; I147-E150 PolarHBondContact O-N 3.16Å; I147-T151 WeakPolarHBondContact O-CB 3.42Å; I147-T151 PolarHBondContact O-N 3.34Å; I147-T151 PolarHBondContact O-OG1 2.93Å; I147-L219 HydrophobicContact CB-CD2 4.07Å; I147-L219 HydrophobicContact CD1-CD2 4.08Å; I147-L219 HydrophobicContact CG2-CD2 3.91Å; I147-F222 HydrophobicContact CG2-CB 3.87Å; I147-L226 HydrophobicContact CG2-CD1 4.33Å
148	L	97.8	Very high	96	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.9	-42.6	-179.2	-66.6	-178.3	0	0	0	111.6	V144 Q146 T151 W152 L218 L219 F222 I265 L268 L269 I272	V144-L148 HydrophobicContact CG1-CD1 3.89Å; V144-L148 HydrophobicContact CG1-CG 4.35Å; V144-L148 WeakPolarHBondContact O-CB 3.23Å; V144-L148 VanDerWaalsContact O-CG 3.25Å; V144-L148 WeakPolarHBondContact O-CG 3.28Å; V144-L148 PolarHBondContact O-N 3.37Å; Q146-L148 VanDerWaalsContact C-N 3.32Å; Q146-L148 PolarHBondContact O-N 2.9Å; L148-T151 PolarHBondContact O-N 3.43Å; L148-W152 WeakPolarHBondContact O-CB 3.31Å; L148-W152 PolarHBondContact O-N 3.17Å; L148-L218 HydrophobicContact CD2-CD2 4.27Å; L148-L219 HydrophobicContact CD2-CD2 4.29Å; L148-L219 HydrophobicContact CG-CD2 4.47Å; L148-F222 HydrophobicContact CD2-CD2 3.74Å; L148-F222 HydrophobicContact CD2-CE2 3.64Å; L148-I265 HydrophobicContact CD1-CG2 3.86Å; L148-L268 HydrophobicContact CB-CD2 3.46Å; L148-L268 VanDerWaalsContact CB-CD2 3.46Å; L148-L268 HydrophobicContact CB-CG 4.02Å; L148-L268 HydrophobicContact CD1-CD2 4.38Å; L148-L269 HydrophobicContact CD1-CD2 4.08Å; L148-L269 HydrophobicContact CD1-CG 4.02Å; L148-L269 HydrophobicContact CD2-CD2 3.59Å; L148-L269 HydrophobicContact CD2-CG 4.42Å; L148-L269 HydrophobicContact CG-CD2 4.5Å; L148-I272 HydrophobicContact CB-CD1 3.7Å; L148-I272 HydrophobicContact CD2-CD1 3.83Å; L148-I272 HydrophobicContact CG-CD1 4.28Å; L148-I272 VanDerWaalsContact O-CD1 3.27Å; L148-I272 WeakPolarHBondContact O-CD1 3.35Å
149	G	95.4	Very high	96.2	Very high	15 Å²	15	33.4 Å²	33.4	16%	0.155	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-48.1	177.9	0	0	0	0	0	112.7	L145 Q146 I147 W152 R153	L145-G149 PolarHBondContact O-N 3.44Å; Q146-G149 PolarHBondContact O-N 3.24Å; I147-G149 VanDerWaalsContact C-N 3.35Å; I147-G149 PolarHBondContact O-N 3.24Å; G149-W152 PolarHBondContact O-N 3.22Å; G149-R153 WeakPolarHBondContact O-CG 3.45Å; G149-R153 PolarHBondContact O-N 3.42Å; G149-R153 VanDerWaalsContact O-N 3.11Å
150	E	96.1	Very high	96.2	Very high	63 Å²	63	33.7 Å²	33.7	29%	0.294	16%	0.162	S	C	.	.	H	α-helix	trans	-65.2	-40	177.3	-65.7	-56.9	147.3	0	0	111.9	F119 Q146 I147 W152 R153 L154 L226	F119-E150 HydrophobicContact CD1-CG 3.73Å; F119-E150 HydrophobicContact CE1-CB 4.3Å; F119-E150 HydrophobicContact CE1-CG 3.79Å; Q146-E150 WeakPolarHBondContact O-CG 3.49Å; Q146-E150 PolarHBondContact O-N 3.35Å; I147-E150 PolarHBondContact O-N 3.16Å; E150-W152 VanDerWaalsContact C-N 3.33Å; E150-W152 PolarHBondContact O-N 3.3Å; E150-R153 PolarHBondContact O-N 2.65Å; E150-L154 PolarHBondContact O-N 2.87Å; E150-L226 HydrophobicContact CB-CD1 3.97Å; E150-L226 HydrophobicContact CB-CD2 3.89Å
151	T	97.8	Very high	96.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-44.1	175.5	-54.3	0	0	0	0	110.7	I147 L148 R153 L154 L155 F222 L225	I147-T151 WeakPolarHBondContact O-CB 3.42Å; I147-T151 PolarHBondContact O-N 3.34Å; I147-T151 PolarHBondContact O-OG1 2.93Å; L148-T151 PolarHBondContact O-N 3.43Å; T151-R153 VanDerWaalsContact C-N 3.3Å; T151-R153 PolarHBondContact O-N 2.91Å; T151-L154 PolarHBondContact O-N 3.12Å; T151-L155 HydrophobicContact CG2-CD1 3.94Å; T151-L155 HydrophobicContact CG2-CG 4.16Å; T151-L155 WeakPolarHBondContact O-CG 3.47Å; T151-L155 PolarHBondContact O-N 3.17Å; T151-F222 HydrophobicContact CG2-CB 4.12Å; T151-F222 HydrophobicContact CG2-CD1 3.6Å; T151-F222 HydrophobicContact CG2-CD2 3.81Å; T151-F222 HydrophobicContact CG2-CE1 3.88Å; T151-F222 HydrophobicContact CG2-CE2 4.06Å; T151-F222 HydrophobicContact CG2-CG 3.57Å; T151-F222 HydrophobicContact CG2-CZ 4.11Å; T151-F222 WeakPolarHBondContact OG1-CB 3.37Å; T151-L225 HydrophobicContact CG2-CD2 4.26Å
152	W	95.4	Very high	96.3	Very high	8 Å²	8	32.7 Å²	32.7	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-40.8	177.7	-176.6	38.2	0	0	0	111.9	W97 E98 F101 L148 G149 E150 R156 L268 K271 I272 W275	W97-W152 HydrophobicContact CB-CH2 3.69Å; W97-W152 HydrophobicContact CB-CZ3 4.2Å; W97-W152 HydrophobicContact CG-CH2 4.47Å; E98-W152 HydrophobicContact CG-CZ3 4.38Å; F101-W152 HydrophobicContact CD2-CZ3 4.23Å; L148-W152 WeakPolarHBondContact O-CB 3.31Å; L148-W152 PolarHBondContact O-N 3.17Å; G149-W152 PolarHBondContact O-N 3.22Å; E150-W152 VanDerWaalsContact C-N 3.33Å; E150-W152 PolarHBondContact O-N 3.3Å; W152-R156 VanDerWaalsContact O-CG 3.29Å; W152-R156 WeakPolarHBondContact O-CG 3.37Å; W152-R156 PolarHBondContact O-N 3.06Å; W152-L268 HydrophobicContact CB-CD1 4.31Å; W152-L268 HydrophobicContact CD2-CD1 4.1Å; W152-L268 HydrophobicContact CE3-CD1 3.97Å; W152-L268 HydrophobicContact CG-CD1 4.24Å; W152-K271 HydrophobicContact CZ2-CD 4.38Å; W152-I272 HydrophobicContact CB-CD1 4.21Å; W152-I272 HydrophobicContact CB-CG1 3.71Å; W152-I272 HydrophobicContact CG-CG1 4.13Å; W152-W275 AromaticContact CD1-CD1 3.65Å; W152-W275 AromaticContact NE1-CD1 3.34Å; W152-W275 VanDerWaalsContact NE1-CD1 3.34Å; W152-W275 AromaticContact NE1-NE1 3.4Å
153	R	93.4	Very high	96.3	Very high	123 Å²	123	35.5 Å²	35.5	46%	0.464	17%	0.171	S	C	.	.	H	α-helix	trans	-63	-44.5	174.9	-65.3	174	98	100	12.1	111.8	E98 G149 E150 T151	E98-R153 VanDerWaalsContact CD-NH1 3.26Å; E98-R153 IonicContact OE1-CZ 3.82Å; E98-R153 IonicContact OE1-NH1 2.6Å; E98-R153 PolarHBondContact OE1-NH1 2.62Å; E98-R153 IonicContact OE1-NH2 2.82Å; E98-R153 PolarHBondContact OE1-NH2 2.87Å; E98-R153 IonicContact OE2-CZ 3.49Å; E98-R153 IonicContact OE2-NH1 3.72Å; E98-R153 PolarHBondContact OE2-NH1 3.11Å; E98-R153 IonicContact OE2-NH2 3.7Å; E98-R153 PolarHBondContact OE2-NH2 3.16Å; G149-R153 WeakPolarHBondContact O-CG 3.45Å; G149-R153 PolarHBondContact O-N 3.42Å; G149-R153 VanDerWaalsContact O-N 3.11Å; E150-R153 PolarHBondContact O-N 2.65Å; T151-R153 VanDerWaalsContact C-N 3.3Å; T151-R153 PolarHBondContact O-N 2.91Å
154	L	95.9	Very high	96.1	Very high	30 Å²	30	35.5 Å²	35.5	16%	0.157	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-46.8	179.7	177.2	60.4	0	0	0	112.3	E150 T151 R156 I157 L225 L226 P229	E150-L154 PolarHBondContact O-N 2.87Å; T151-L154 PolarHBondContact O-N 3.12Å; L154-R156 PolarHBondContact O-N 3.08Å; L154-R156 VanDerWaalsContact O-N 3.16Å; L154-I157 HydrophobicContact CD1-CD1 4.14Å; L154-I157 HydrophobicContact CD1-CG1 4.28Å; L154-I157 WeakPolarHBondContact O-CG1 3.37Å; L154-I157 PolarHBondContact O-N 3.06Å; L154-I157 VanDerWaalsContact O-N 3.14Å; L154-L225 HydrophobicContact CD2-CD1 4.33Å; L154-L225 HydrophobicContact CD2-CD2 4.31Å; L154-L225 HydrophobicContact CD2-CG 3.82Å; L154-L226 HydrophobicContact CB-CD2 4.41Å; L154-L226 HydrophobicContact CD2-CD2 4.05Å; L154-P229 HydrophobicContact CD1-CB 4.25Å; L154-P229 HydrophobicContact CD2-CB 4.06Å
155	L	96	Very high	95.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-28	-176.8	-69	175.4	0	0	0	113	T151 I157 L158 L225 I272 W275 L276 R307	T151-L155 HydrophobicContact CG2-CD1 3.94Å; T151-L155 HydrophobicContact CG2-CG 4.16Å; T151-L155 WeakPolarHBondContact O-CG 3.47Å; T151-L155 PolarHBondContact O-N 3.17Å; L155-I157 PolarHBondContact O-N 3.36Å; L155-L158 HydrophobicContact CD2-CD1 3.83Å; L155-L158 PolarHBondContact O-N 3.4Å; L155-L225 HydrophobicContact CD2-CD2 3.9Å; L155-I272 HydrophobicContact CD1-CG2 3.75Å; L155-W275 HydrophobicContact CB-CB 3.8Å; L155-W275 HydrophobicContact CD1-CB 4.39Å; L155-L276 HydrophobicContact CD1-CD2 3.93Å; L155-L276 HydrophobicContact CD1-CG 4.39Å; L155-L276 HydrophobicContact CD2-CD2 4.13Å; L155-R307 PolarHBondContact O-NH2 2.98Å
156	R	92.9	Very high	95	Very high	79 Å²	79	38.2 Å²	38.2	30%	0.298	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.8	178.3	-72.6	171.6	63.9	-173.8	1.5	114.2	D94 W152 L154 W275	D94-R156 IonicContact OD1-NH2 3.26Å; D94-R156 IonicContact OD2-CZ 3.69Å; D94-R156 IonicContact OD2-NH1 3.9Å; D94-R156 IonicContact OD2-NH2 2.72Å; D94-R156 PolarHBondContact OD2-NH2 3.28Å; W152-R156 VanDerWaalsContact O-CG 3.29Å; W152-R156 WeakPolarHBondContact O-CG 3.37Å; W152-R156 PolarHBondContact O-N 3.06Å; L154-R156 PolarHBondContact O-N 3.08Å; L154-R156 VanDerWaalsContact O-N 3.16Å; R156-W275 HydrophobicContact CB-CE3 4.28Å; R156-W275 HydrophobicContact CB-CZ3 4.27Å; R156-W275 HydrophobicContact CG-CD2 3.75Å; R156-W275 HydrophobicContact CG-CE3 3.94Å; R156-W275 HydrophobicContact CG-CG 4.29Å; R156-W275 HydrophobicContact CG-CH2 4.13Å; R156-W275 HydrophobicContact CG-CZ2 3.95Å; R156-W275 HydrophobicContact CG-CZ3 4.12Å
157	I	94.6	Very high	93.8	Very high	137 Å²	137	41.8 Å²	41.8	70%	0.703	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-6.8	177.7	62.3	162.8	0	0	0	112.7	L154 L155	L154-I157 HydrophobicContact CD1-CD1 4.14Å; L154-I157 HydrophobicContact CD1-CG1 4.28Å; L154-I157 WeakPolarHBondContact O-CG1 3.37Å; L154-I157 PolarHBondContact O-N 3.06Å; L154-I157 VanDerWaalsContact O-N 3.14Å; L155-I157 PolarHBondContact O-N 3.36Å
158	L	95.2	Very high	92	Very high	34 Å²	34	50.2 Å²	50.2	18%	0.178	26%	0.258	C	S	.	.	S	Bend	trans	-81.2	145.7	178.2	-63.1	-173	0	0	0	111.9	L155 P277 R307	L155-L158 HydrophobicContact CD2-CD1 3.83Å; L155-L158 PolarHBondContact O-N 3.4Å; L158-P277 HydrophobicContact CB-CG 4.29Å; L158-P277 HydrophobicContact CD1-CG 4.22Å; L158-R307 PolarHBondContact O-NH1 3.21Å; L158-R307 PolarHBondContact O-NH2 3.37Å
159	P	96.7	Very high	90.4	Very high	69 Å²	69	51.5 Å²	51.5	45%	0.448	27%	0.266	S	S	.	.			trans	-70.2	167.9	174.8	32.5	-36.8	0	0	0	111.7	I161	P159-I161 VanDerWaalsContact C-N 3.3Å; P159-I161 VanDerWaalsContact CG-O 3.31Å; P159-I161 WeakPolarHBondContact CG-O 3.49Å
160	N	97	Very high	89.4	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.037	30%	0.297	C	S	.	.	S	Bend	trans	-69	-32	172.1	-66	-14.9	0	0	0	112.2	L278 A279 V302 M305 R307	N160-L278 PolarHBondContact O-N 3.19Å; N160-A279 PolarHBondContact O-N 3.16Å; N160-V302 VanDerWaalsContact CB-O 3.24Å; N160-V302 WeakPolarHBondContact CB-O 3.41Å; N160-V302 PolarHBondContact ND2-O 2.84Å; N160-M305 PolarHBondContact ND2-O 3.48Å; N160-R307 WeakPolarHBondContact OD1-CD 3.09Å; N160-R307 VanDerWaalsContact OD1-CG 3.27Å; N160-R307 WeakPolarHBondContact OD1-CG 3.38Å; N160-R307 PolarHBondContact OD1-NH1 3.46Å
161	I	98.2	Very high	89.1	Confident	8 Å²	8	59.7 Å²	59.7	4%	0.041	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.5	178.8	-52.8	-175.2	0	0	0	108.3	P159 A279 V281 L299 V302 A303	P159-I161 VanDerWaalsContact C-N 3.3Å; P159-I161 VanDerWaalsContact CG-O 3.31Å; P159-I161 WeakPolarHBondContact CG-O 3.49Å; I161-A279 WeakPolarHBondContact CA-O 3.46Å; I161-A279 HydrophobicContact CG1-CB 4.24Å; I161-A279 HydrophobicContact CG2-CB 4.24Å; I161-V281 HydrophobicContact CG2-CB 4.32Å; I161-V281 HydrophobicContact CG2-CG2 3.64Å; I161-L299 HydrophobicContact CD1-CB 4.22Å; I161-L299 WeakPolarHBondContact CD1-O 3.25Å; I161-V302 HydrophobicContact CD1-CB 4.27Å; I161-V302 HydrophobicContact CD1-CG1 3.93Å; I161-V302 HydrophobicContact CG1-CG1 3.95Å; I161-A303 HydrophobicContact CD1-CB 4.15Å
162	N	97.2	Very high	89.1	Confident	13 Å²	13	59.7 Å²	59.7	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.6	173.2	-63.9	-48.7	0	0	0	109.5	P277 A279 T280 V281	N162-P277 WeakPolarHBondContact ND2-CB 3.47Å; N162-P277 WeakPolarHBondContact ND2-CG 2.86Å; N162-A279 PolarHBondContact N-O 3.05Å; N162-T280 HydrophobicContact CB-CG2 4.24Å; N162-T280 CarbonylContact O-C 3.55Å; N162-T280 WeakPolarHBondContact O-CA 3.47Å; N162-V281 PolarHBondContact O-N 3.37Å
163	H	96.2	Very high	89.2	Confident	118 Å²	118	59.6 Å²	59.6	55%	0.546	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.4	173.5	-72.9	-88.2	0	0	0	109.7	V281 H284	H163-V281 WeakPolarHBondContact CA-O 3.38Å; H163-H284 AromaticContact ND1-ND1 3.93Å
164	V	93.6	Very high	89.5	Confident	19 Å²	19	53.8 Å²	53.8	12%	0.115	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.4	-173.8	-172.9	0	0	0	0	110	I172 H233 T280 V281 I282 N283	V164-I172 HydrophobicContact CB-CD1 4.45Å; V164-I172 HydrophobicContact CG1-CD1 3.7Å; V164-H233 VanDerWaalsContact CG2-NE2 3.31Å; V164-H233 WeakPolarHBondContact CG2-NE2 3.36Å; V164-T280 HydrophobicContact CG2-CG2 3.67Å; V164-V281 PolarHBondContact N-O 2.99Å; V164-I282 WeakPolarHBondContact O-CA 3.42Å; V164-N283 PolarHBondContact O-N 3.48Å
165	S	89.6	Confident	89.6	Confident	58 Å²	58	52.3 Å²	52.3	41%	0.406	27%	0.268	S	S	.	.			trans	-112.6	122.5	175.9	178.6	0	0	0	0	110.6	C167 N283	S165-C167 PolarHBondContact O-N 3.3Å; S165-C167 WeakPolarHBondContact OG-CB 3.44Å; S165-C167 PolarHBondContact OG-N 3.41Å; S165-C167 PolarHBondContact OG-SG 2.92Å; S165-N283 VanDerWaalsContact CA-OD1 3.31Å; S165-N283 WeakPolarHBondContact CA-OD1 3.26Å
166	V	83.3	Confident	89.7	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	17.6	176.2	-156.9	0	0	0	0	110.9	I172 I282 N283	V166-I172 HydrophobicContact CG1-CG2 4.43Å; V166-I172 HydrophobicContact CG2-CB 4.26Å; V166-I172 HydrophobicContact CG2-CG2 3.75Å; V166-I282 HydrophobicContact CG2-CG2 3.38Å; V166-N283 PolarHBondContact N-OD1 3.06Å
167	C	69.1	Low	90	Very high	95 Å²	95	48.5 Å²	48.5	64%	0.642	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-30.2	179.6	-59.9	0	0	0	0	112.4	S165	S165-C167 PolarHBondContact O-N 3.3Å; S165-C167 WeakPolarHBondContact OG-CB 3.44Å; S165-C167 PolarHBondContact OG-N 3.41Å; S165-C167 PolarHBondContact OG-SG 2.92Å
168	H	61.4	Low	90.2	Very high	176 Å²	176	42 Å²	42	82%	0.815	22%	0.22	S	C	*	.	S	Bend	trans	-100.8	-21.5	-175	-55.5	94	0	0	0	113
169	T	63.8	Low	90.2	Very high	27 Å²	27	40.7 Å²	40.7	17%	0.166	21%	0.213	C	C	.	.	S	Bend	trans	-101.8	147.7	176.3	54.3	0	0	0	0	109.1	E171 P200	T169-E171 VanDerWaalsContact C-N 3.31Å; T169-E171 PolarHBondContact O-N 3.41Å; T169-P200 HydrophobicContact CG2-CG 3.98Å
170	K	73.6	Confident	90.2	Very high	187 Å²	187	37.5 Å²	37.5	81%	0.813	19%	0.192	S	C	*	.	S	Bend	trans	-65.1	-41	179.4	-71.9	-176.8	179.2	175.9	0	110.8
171	E	91.3	Very high	90.1	Very high	64 Å²	64	39.1 Å²	39.1	30%	0.299	20%	0.2	S	C	.	.			trans	-156	152.5	-176.1	-61.7	174.3	-176.3	0	0	111.3	T169 P200 R510 M511	T169-E171 VanDerWaalsContact C-N 3.31Å; T169-E171 PolarHBondContact O-N 3.41Å; E171-P200 WeakPolarHBondContact O-CD 3.5Å; E171-R510 VanDerWaalsContact CD-NH2 3.29Å; E171-R510 IonicContact OE1-NH2 3.27Å; E171-R510 PolarHBondContact OE1-NH2 3.47Å; E171-R510 VanDerWaalsContact OE1-NH2 3.17Å; E171-R510 IonicContact OE2-CZ 3.54Å; E171-R510 IonicContact OE2-NE 3.48Å; E171-R510 PolarHBondContact OE2-NE 3.11Å; E171-R510 IonicContact OE2-NH2 2.75Å; E171-R510 PolarHBondContact OE2-NH2 3.25Å; E171-M511 CarbonylContact C-O 3.55Å; E171-M511 VanDerWaalsContact CA-O 3.24Å; E171-M511 WeakPolarHBondContact CA-O 3.16Å
172	I	95.9	Very high	90	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.1	169.7	-171.6	166.6	0	0	0	111	V164 V166 P200 V202 I282 R510 M511	V164-I172 HydrophobicContact CB-CD1 4.45Å; V164-I172 HydrophobicContact CG1-CD1 3.7Å; V166-I172 HydrophobicContact CG1-CG2 4.43Å; V166-I172 HydrophobicContact CG2-CB 4.26Å; V166-I172 HydrophobicContact CG2-CG2 3.75Å; I172-P200 HydrophobicContact CB-CG 4.02Å; I172-P200 HydrophobicContact CD1-CB 4.35Å; I172-P200 HydrophobicContact CD1-CG 4.48Å; I172-P200 HydrophobicContact CG1-CB 4.1Å; I172-P200 HydrophobicContact CG1-CG 3.97Å; I172-V202 HydrophobicContact CD1-CG2 3.78Å; I172-V202 HydrophobicContact CG1-CG2 4.37Å; I172-I282 HydrophobicContact CD1-CD1 4.21Å; I172-I282 HydrophobicContact CD1-CG1 4.46Å; I172-I282 HydrophobicContact CG2-CD1 4.15Å; I172-I282 HydrophobicContact CG2-CG2 4.36Å; I172-R510 WeakPolarHBondContact O-CA 3.42Å; I172-M511 HydrophobicContact CG2-CB 4.02Å; I172-M511 PolarHBondContact N-O 3.23Å; I172-M511 PolarHBondContact O-N 3.07Å
173	T	98.3	Very high	89.9	Confident	6 Å²	6	44.3 Å²	44.3	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.6	177.8	-55.4	0	0	0	0	111.1	N192 P200 Y201 V202 Y508 I509	T173-N192 WeakPolarHBondContact CG2-ND2 3.22Å; T173-N192 PolarHBondContact OG1-ND2 3.33Å; T173-P200 PolarHBondContact N-O 3.4Å; T173-Y201 HydrophobicContact CG2-CD1 3.67Å; T173-Y201 HydrophobicContact CG2-CE1 3.37Å; T173-Y201 CarbonylContact O-C 3.25Å; T173-Y201 VanDerWaalsContact O-CA 3.27Å; T173-Y201 WeakPolarHBondContact O-CA 3.39Å; T173-V202 PolarHBondContact O-N 3.36Å; T173-Y508 HydrophobicContact CG2-CD2 3.66Å; T173-Y508 HydrophobicContact CG2-CE2 4.33Å; T173-Y508 HydrophobicContact CG2-CG 4.28Å; T173-I509 CarbonylContact C-O 3.56Å; T173-I509 VanDerWaalsContact CA-O 3.23Å; T173-I509 WeakPolarHBondContact CA-O 3.49Å
174	I	98.8	Very high	89.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121.1	178.1	-49.3	166.6	0	0	0	108.7	V202 I282 V288 I471 Y508 I509	I174-V202 CarbonylContact C-O 3.42Å; I174-V202 WeakPolarHBondContact CA-O 3.38Å; I174-V202 HydrophobicContact CG1-CB 4.32Å; I174-V202 HydrophobicContact CG2-CB 4.25Å; I174-I282 HydrophobicContact CD1-CD1 3.62Å; I174-I282 HydrophobicContact CG1-CD1 4.22Å; I174-V288 HydrophobicContact CD1-CG2 4.27Å; I174-V288 HydrophobicContact CG2-CG1 4.1Å; I174-I471 HydrophobicContact CD1-CD1 3.55Å; I174-I471 HydrophobicContact CG2-CG2 4.34Å; I174-Y508 WeakPolarHBondContact O-CA 3.48Å; I174-I509 HydrophobicContact CB-CB 4.17Å; I174-I509 HydrophobicContact CB-CD1 4.48Å; I174-I509 PolarHBondContact N-O 2.8Å; I174-I509 PolarHBondContact O-N 2.73Å
175	C	98.8	Very high	90.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140	176.2	-60.2	0	0	0	0	109.3	V202 F203 N204 S494	C175-V202 PolarHBondContact N-O 3.37Å; C175-F203 HydrophobicContact CB-CD1 3.62Å; C175-F203 HydrophobicContact CB-CE1 3.91Å; C175-F203 HydrophobicContact CB-CG 4.4Å; C175-N204 WeakPolarHBondContact O-CB 3.16Å; C175-N204 PolarHBondContact O-N 3.13Å; C175-S494 WeakPolarHBondContact CA-OG 3.28Å
176	G	98.6	Very high	90.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.			trans	-88.6	-150	169	0	0	0	0	0	111.7	S473 S494	G176-S473 WeakPolarHBondContact CA-OG 3.45Å; G176-S494 PolarHBondContact N-OG 2.93Å
177	D	98.7	Very high	91	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-59.9	145.5	-174.7	-47.3	3.2	0	0	0	111.6	H179 D206 H290 S473 H474 F493 S494 A495	D177-H179 IonicContact OD2-NE2 3.42Å; D177-D206 HydrophobicContact CB-CB 3.84Å; D177-H290 IonicContact OD1-CE1 3.99Å; D177-H290 PolarHBondContact OD1-CE1 2.87Å; D177-H290 VanDerWaalsContact OD1-CE1 3.27Å; D177-H290 IonicContact OD1-ND1 2.99Å; D177-H290 IonicContact OD2-CE1 3.42Å; D177-S473 WeakPolarHBondContact OD1-CB 3.5Å; D177-H474 PolarHBondContact OD1-N 2.68Å; D177-H474 WeakPolarHBondContact OD2-CA 3.42Å; D177-H474 PolarHBondContact OD2-N 2.87Å; D177-F493 HydrophobicContact CB-CD2 3.81Å; D177-F493 HydrophobicContact CB-CE2 3.57Å; D177-F493 HydrophobicContact CB-CZ 4.31Å; D177-F493 WeakPolarHBondContact OD2-CD2 3.34Å; D177-F493 WeakPolarHBondContact OD2-CE2 3.3Å; D177-S494 CarbonylContact O-C 3.1Å; D177-S494 VanDerWaalsContact O-CA 3.27Å; D177-S494 WeakPolarHBondContact O-CA 3.45Å; D177-S494 VanDerWaalsContact O-CB 3.32Å; D177-S494 WeakPolarHBondContact O-CB 3.35Å; D177-S494 PolarHBondContact O-N 2.97Å; D177-S494 VanDerWaalsContact O-N 3.12Å; D177-A495 PolarHBondContact O-N 3.08Å
178	L	98.1	Very high	92.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.			trans	-121.7	-27.4	178.1	-68.5	171.6	0	0	0	113	G180 Q181 L185 I188 F203 D206 I217 L221	L178-G180 VanDerWaalsContact C-N 3.31Å; L178-G180 PolarHBondContact O-N 2.99Å; L178-G180 VanDerWaalsContact O-N 3.12Å; L178-Q181 VanDerWaalsContact O-CB 3.29Å; L178-Q181 WeakPolarHBondContact O-CB 3.43Å; L178-Q181 WeakPolarHBondContact O-CG 3.35Å; L178-Q181 PolarHBondContact O-N 3.21Å; L178-L185 HydrophobicContact CD1-CB 4.49Å; L178-L185 HydrophobicContact CD1-CD1 4Å; L178-L185 HydrophobicContact CD2-CB 4.48Å; L178-I188 HydrophobicContact CD2-CD1 4.13Å; L178-F203 HydrophobicContact CD1-CD1 4.05Å; L178-F203 HydrophobicContact CD1-CE1 4.3Å; L178-D206 PolarHBondContact N-O 3.14Å; L178-I217 HydrophobicContact CB-CD1 4.05Å; L178-I217 HydrophobicContact CD1-CG2 3.92Å; L178-L221 HydrophobicContact CD1-CD1 4.35Å
179	H	97	Very high	94.1	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.028	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.3	51.6	173.7	-74.7	-52.7	0	0	0	114.7	D177 Q181 D206 V208 D209 R210 G211 H239 Y498	D177-H179 IonicContact OD2-NE2 3.42Å; H179-Q181 PolarHBondContact O-N 3.12Å; H179-Q181 VanDerWaalsContact O-N 3.12Å; H179-D206 IonicContact CE1-OD2 3.17Å; H179-D206 PolarHBondContact CE1-OD2 3.28Å; H179-D206 VanDerWaalsContact CE1-OD2 3.31Å; H179-D206 PolarHBondContact N-O 3.16Å; H179-D206 IonicContact NE2-OD2 2.67Å; H179-V208 PolarHBondContact ND1-O 3.14Å; H179-V208 VanDerWaalsContact ND1-O 3.08Å; H179-D209 CarbonylContact C-O 3.57Å; H179-D209 VanDerWaalsContact CA-O 3.3Å; H179-D209 WeakPolarHBondContact CA-O 3.34Å; H179-D209 WeakPolarHBondContact CB-O 3.41Å; H179-D209 VanDerWaalsContact O-O 3.11Å; H179-R210 HydrophobicContact CB-CB 4.19Å; H179-R210 HydrophobicContact CB-CG 4.4Å; H179-G211 WeakPolarHBondContact O-CA 3.32Å; H179-G211 PolarHBondContact O-N 2.87Å; H179-H239 AromaticContact CE1-CD2 3.56Å; H179-H239 AromaticContact CE1-CG 3.9Å; H179-H239 AromaticContact CE1-NE2 3.85Å; H179-Y498 HydrophobicContact CB-CD2 4.42Å; H179-Y498 HydrophobicContact CB-CE2 3.95Å; H179-Y498 AromaticContact CD2-CE2 3.34Å; H179-Y498 WeakPolarHBondContact CD2-CE2 3.22Å; H179-Y498 AromaticContact CD2-CZ 3.87Å; H179-Y498 AromaticContact CG-CE2 3.8Å
180	G	95.8	Very high	95.6	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.021	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	17.6	177.6	0	0	0	0	0	115.6	L178 L182 F207 N213	L178-G180 VanDerWaalsContact C-N 3.31Å; L178-G180 PolarHBondContact O-N 2.99Å; L178-G180 VanDerWaalsContact O-N 3.12Å; G180-L182 PolarHBondContact O-N 3.07Å; G180-F207 PolarHBondContact N-O 3.04Å; G180-N213 WeakPolarHBondContact O-CB 3.4Å; G180-N213 PolarHBondContact O-N 3.12Å
181	Q	95	Very high	96.6	Very high	42 Å²	42	29.9 Å²	29.9	20%	0.196	13%	0.134	C	C	.	.			trans	-89.2	77	175.5	-58.7	-167.7	-65.4	0	0	112.1	L178 H179 E183 D184 L185 S496	L178-Q181 VanDerWaalsContact O-CB 3.29Å; L178-Q181 WeakPolarHBondContact O-CB 3.43Å; L178-Q181 WeakPolarHBondContact O-CG 3.35Å; L178-Q181 PolarHBondContact O-N 3.21Å; H179-Q181 PolarHBondContact O-N 3.12Å; H179-Q181 VanDerWaalsContact O-N 3.12Å; Q181-E183 VanDerWaalsContact C-N 3.25Å; Q181-E183 PolarHBondContact O-N 3.2Å; Q181-D184 HydrophobicContact CB-CB 4.25Å; Q181-D184 WeakPolarHBondContact CB-OD2 3.4Å; Q181-D184 WeakPolarHBondContact O-CB 3.42Å; Q181-D184 PolarHBondContact O-N 3.4Å; Q181-D184 PolarHBondContact OE1-OD2 3Å; Q181-D184 VanDerWaalsContact OE1-OD2 3.09Å; Q181-L185 PolarHBondContact O-N 3.36Å; Q181-S496 PolarHBondContact NE2-O 2.97Å; Q181-S496 PolarHBondContact OE1-O 3.14Å
182	L	96.1	Very high	96.8	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-57.6	-36.1	-173.7	177.3	62.7	0	0	0	113.3	F133 G180 D184 L185 L186 N213 E216 I217 I220	F133-L182 HydrophobicContact CB-CD2 4.02Å; G180-L182 PolarHBondContact O-N 3.07Å; L182-D184 VanDerWaalsContact C-N 3.28Å; L182-D184 PolarHBondContact O-N 3.07Å; L182-L185 HydrophobicContact CD1-CD2 4.48Å; L182-L185 PolarHBondContact O-N 3.28Å; L182-L186 HydrophobicContact CD1-CD1 4.45Å; L182-L186 HydrophobicContact CD1-CD2 4.45Å; L182-L186 HydrophobicContact CD1-CG 4.15Å; L182-L186 HydrophobicContact CG-CD1 4.1Å; L182-L186 HydrophobicContact CG-CG 4.24Å; L182-L186 WeakPolarHBondContact O-CG 3.24Å; L182-L186 PolarHBondContact O-N 2.92Å; L182-N213 HydrophobicContact CB-CB 3.6Å; L182-N213 HydrophobicContact CD2-CB 4.35Å; L182-E216 HydrophobicContact CD1-CB 4.49Å; L182-E216 HydrophobicContact CD2-CB 4.09Å; L182-I217 HydrophobicContact CB-CG1 4.26Å; L182-I217 HydrophobicContact CD1-CG1 4.09Å; L182-I220 HydrophobicContact CD1-CD1 3.62Å
183	E	94.8	Very high	96.8	Very high	122 Å²	122	28.3 Å²	28.3	57%	0.57	13%	0.132	S	C	*	.	H	α-helix	trans	-61.1	-35.3	178.2	-64.7	-66.1	163.1	0	0	112.7	Q181 L187 A524	Q181-E183 VanDerWaalsContact C-N 3.25Å; Q181-E183 PolarHBondContact O-N 3.2Å; E183-L187 VanDerWaalsContact O-CB 3.26Å; E183-L187 WeakPolarHBondContact O-CB 3.41Å; E183-L187 PolarHBondContact O-N 3.17Å; E183-A524 HydrophobicContact CB-CB 4.18Å
184	D	96.6	Very high	96.8	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-67.9	-44.9	176.4	-74.2	-52.1	0	0	0	110.8	Q181 L182 L186 L187 I188 S496 Y522 A524	Q181-D184 HydrophobicContact CB-CB 4.25Å; Q181-D184 WeakPolarHBondContact CB-OD2 3.4Å; Q181-D184 WeakPolarHBondContact O-CB 3.42Å; Q181-D184 PolarHBondContact O-N 3.4Å; Q181-D184 PolarHBondContact OE1-OD2 3Å; Q181-D184 VanDerWaalsContact OE1-OD2 3.09Å; L182-D184 VanDerWaalsContact C-N 3.28Å; L182-D184 PolarHBondContact O-N 3.07Å; D184-L186 PolarHBondContact O-N 3.25Å; D184-L187 PolarHBondContact O-N 2.91Å; D184-I188 WeakPolarHBondContact O-CG1 3.45Å; D184-I188 PolarHBondContact O-N 2.79Å; D184-S496 WeakPolarHBondContact OD1-CB 3.5Å; D184-S496 PolarHBondContact OD1-OG 3.31Å; D184-S496 PolarHBondContact OD2-N 2.67Å; D184-S496 PolarHBondContact OD2-OG 2.9Å; D184-Y522 HydrophobicContact CB-CE2 3.9Å; D184-Y522 VanDerWaalsContact OD1-CE2 3.27Å; D184-Y522 WeakPolarHBondContact OD1-CE2 3.46Å; D184-A524 WeakPolarHBondContact OD1-CB 3.42Å
185	L	97.8	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.1	-47.3	175.3	179.6	63	0	0	0	111.7	L178 Q181 L182 L187 I188 F189 F203 I217 I220 L221	L178-L185 HydrophobicContact CD1-CB 4.49Å; L178-L185 HydrophobicContact CD1-CD1 4Å; L178-L185 HydrophobicContact CD2-CB 4.48Å; Q181-L185 PolarHBondContact O-N 3.36Å; L182-L185 HydrophobicContact CD1-CD2 4.48Å; L182-L185 PolarHBondContact O-N 3.28Å; L185-L187 VanDerWaalsContact C-N 3.28Å; L185-L187 PolarHBondContact O-N 2.98Å; L185-I188 WeakPolarHBondContact O-CB 3.1Å; L185-I188 PolarHBondContact O-N 3.49Å; L185-F189 HydrophobicContact CD1-CD2 4.22Å; L185-F189 HydrophobicContact CD1-CE1 4.12Å; L185-F189 HydrophobicContact CD1-CE2 3.58Å; L185-F189 HydrophobicContact CD1-CZ 3.53Å; L185-F189 HydrophobicContact CD2-CE2 4.06Å; L185-F189 HydrophobicContact CG-CD2 4.07Å; L185-F189 HydrophobicContact CG-CE2 3.61Å; L185-F189 HydrophobicContact CG-CZ 4.11Å; L185-F189 WeakPolarHBondContact O-CD2 3.29Å; L185-F189 WeakPolarHBondContact O-CG 3.44Å; L185-F189 PolarHBondContact O-N 3.13Å; L185-F203 HydrophobicContact CD1-CE1 3.68Å; L185-F203 HydrophobicContact CD1-CZ 4.1Å; L185-I217 HydrophobicContact CD2-CB 4.35Å; L185-I217 HydrophobicContact CD2-CG1 4.05Å; L185-I217 HydrophobicContact CD2-CG2 4.14Å; L185-I220 HydrophobicContact CD2-CB 4.39Å; L185-I220 HydrophobicContact CD2-CD1 4.39Å; L185-I220 HydrophobicContact CD2-CG2 4.16Å; L185-L221 HydrophobicContact CD1-CD2 4.23Å; L185-L221 HydrophobicContact CD2-CD2 4.39Å
186	L	96.6	Very high	96.5	Very high	26 Å²	26	32.1 Å²	32.1	14%	0.136	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-36.3	177.5	-65.2	-179.5	0	0	0	111.7	M130 K134 L182 D184 F189 Y190	M130-L186 HydrophobicContact CE-CD2 3.64Å; K134-L186 HydrophobicContact CB-CD1 4.18Å; K134-L186 HydrophobicContact CG-CD1 4.26Å; L182-L186 HydrophobicContact CD1-CD1 4.45Å; L182-L186 HydrophobicContact CD1-CD2 4.45Å; L182-L186 HydrophobicContact CD1-CG 4.15Å; L182-L186 HydrophobicContact CG-CD1 4.1Å; L182-L186 HydrophobicContact CG-CG 4.24Å; L182-L186 WeakPolarHBondContact O-CG 3.24Å; L182-L186 PolarHBondContact O-N 2.92Å; D184-L186 PolarHBondContact O-N 3.25Å; L186-F189 PolarHBondContact O-N 3.02Å; L186-Y190 WeakPolarHBondContact O-CB 3.5Å; L186-Y190 PolarHBondContact O-N 3.2Å
187	L	95.8	Very high	96.1	Very high	37 Å²	37	35.9 Å²	35.9	19%	0.194	18%	0.179	C	C	.	.	H	α-helix	trans	-69.3	-38.3	176.4	-176.7	59.3	0	0	0	112.5	E183 D184 L185 Y190 K191 Y522 A524	E183-L187 VanDerWaalsContact O-CB 3.26Å; E183-L187 WeakPolarHBondContact O-CB 3.41Å; E183-L187 PolarHBondContact O-N 3.17Å; D184-L187 PolarHBondContact O-N 2.91Å; L185-L187 VanDerWaalsContact C-N 3.28Å; L185-L187 PolarHBondContact O-N 2.98Å; L187-Y190 HydrophobicContact CD1-CD1 4.36Å; L187-Y190 PolarHBondContact O-N 2.93Å; L187-K191 HydrophobicContact CD1-CD 4.35Å; L187-K191 HydrophobicContact CD1-CG 4.24Å; L187-K191 HydrophobicContact CG-CD 4.44Å; L187-K191 WeakPolarHBondContact O-CB 3.36Å; L187-K191 WeakPolarHBondContact O-CG 3.38Å; L187-K191 PolarHBondContact O-N 2.81Å; L187-Y522 HydrophobicContact CD2-CD2 3.77Å; L187-Y522 HydrophobicContact CD2-CG 4.2Å; L187-Y522 HydrophobicContact CG-CD2 4.44Å; L187-A524 HydrophobicContact CD2-CB 4.38Å
188	I	97.7	Very high	95.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-52.4	171.7	-68.7	161.7	0	0	0	109.2	L178 D184 L185 Y190 K191 N192 Y201 Y508 Y522	L178-I188 HydrophobicContact CD2-CD1 4.13Å; D184-I188 WeakPolarHBondContact O-CG1 3.45Å; D184-I188 PolarHBondContact O-N 2.79Å; L185-I188 WeakPolarHBondContact O-CB 3.1Å; L185-I188 PolarHBondContact O-N 3.49Å; I188-Y190 VanDerWaalsContact C-N 3.33Å; I188-Y190 PolarHBondContact O-N 3.35Å; I188-K191 PolarHBondContact O-N 3.15Å; I188-N192 VanDerWaalsContact O-CB 3.29Å; I188-N192 WeakPolarHBondContact O-CB 3.44Å; I188-N192 PolarHBondContact O-N 3.09Å; I188-Y201 HydrophobicContact CG2-CE1 4.15Å; I188-Y508 HydrophobicContact CB-CD1 4.46Å; I188-Y508 HydrophobicContact CG1-CD1 3.93Å; I188-Y508 HydrophobicContact CG1-CE1 4.39Å; I188-Y508 HydrophobicContact CG2-CD1 4.06Å; I188-Y508 HydrophobicContact CG2-CE1 4.29Å; I188-Y508 HydrophobicContact CG2-CG 4.45Å; I188-Y522 HydrophobicContact CD1-CE1 4.31Å; I188-Y522 WeakPolarHBondContact CD1-OH 3.22Å; I188-Y522 HydrophobicContact CG1-CE1 3.78Å; I188-Y522 HydrophobicContact CG1-CE2 4.43Å; I188-Y522 WeakPolarHBondContact CG1-OH 3.33Å
189	F	97.6	Very high	95.5	Very high	7 Å²	7	47.3 Å²	47.3	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-36.8	179.5	-69.6	-27.4	0	0	0	113.5	M130 L185 L186 G193 L194 P195 Y201 F203 I220 F224	M130-F189 HydrophobicContact CE-CD2 3.51Å; M130-F189 HydrophobicContact CE-CE2 4.07Å; M130-F189 HydrophobicContact CE-CG 4.44Å; M130-F189 HydrophobicContact SD-CD2 4.46Å; L185-F189 HydrophobicContact CD1-CD2 4.22Å; L185-F189 HydrophobicContact CD1-CE1 4.12Å; L185-F189 HydrophobicContact CD1-CE2 3.58Å; L185-F189 HydrophobicContact CD1-CZ 3.53Å; L185-F189 HydrophobicContact CD2-CE2 4.06Å; L185-F189 HydrophobicContact CG-CD2 4.07Å; L185-F189 HydrophobicContact CG-CE2 3.61Å; L185-F189 HydrophobicContact CG-CZ 4.11Å; L185-F189 WeakPolarHBondContact O-CD2 3.29Å; L185-F189 WeakPolarHBondContact O-CG 3.44Å; L185-F189 PolarHBondContact O-N 3.13Å; L186-F189 PolarHBondContact O-N 3.02Å; F189-G193 CarbonylContact O-C 3.52Å; F189-G193 WeakPolarHBondContact O-CA 3.48Å; F189-G193 PolarHBondContact O-N 2.9Å; F189-L194 HydrophobicContact CB-CD2 3.67Å; F189-L194 HydrophobicContact CD1-CD2 4.41Å; F189-L194 HydrophobicContact CD2-CD2 3.95Å; F189-L194 HydrophobicContact CG-CD2 3.77Å; F189-P195 HydrophobicContact CE1-CG 3.76Å; F189-P195 HydrophobicContact CZ-CG 4.11Å; F189-Y201 HydrophobicContact CE1-CE1 4.35Å; F189-F203 AromaticContact CE1-CZ 3.88Å; F189-F203 HydrophobicContact CE1-CZ 3.88Å; F189-F203 AromaticContact CZ-CZ 3.96Å; F189-F203 HydrophobicContact CZ-CZ 3.96Å; F189-I220 HydrophobicContact CE2-CG2 3.88Å; F189-F224 HydrophobicContact CE2-CD2 4.35Å; F189-F224 AromaticContact CE2-CE2 3.84Å; F189-F224 HydrophobicContact CE2-CE2 3.84Å; F189-F224 HydrophobicContact CZ-CD2 4.1Å; F189-F224 AromaticContact CZ-CE2 3.94Å; F189-F224 HydrophobicContact CZ-CE2 3.94Å
190	Y	95.1	Very high	95.5	Very high	201 Å²	201	47.2 Å²	47.2	79%	0.788	23%	0.231	S	C	*	.	H	α-helix	trans	-63.6	-43.1	174.3	175.6	-100.5	0	0	0	112.1	L186 L187 I188	L186-Y190 WeakPolarHBondContact O-CB 3.5Å; L186-Y190 PolarHBondContact O-N 3.2Å; L187-Y190 HydrophobicContact CD1-CD1 4.36Å; L187-Y190 PolarHBondContact O-N 2.93Å; I188-Y190 VanDerWaalsContact C-N 3.33Å; I188-Y190 PolarHBondContact O-N 3.35Å
191	K	94.5	Very high	95.6	Very high	103 Å²	103	47.1 Å²	47.1	45%	0.448	23%	0.23	S	C	.	.	H	α-helix	trans	-79.1	-39.6	-177.1	-74.9	-174.4	169.7	-168	0	113.6	L187 I188	L187-K191 HydrophobicContact CD1-CD 4.35Å; L187-K191 HydrophobicContact CD1-CG 4.24Å; L187-K191 HydrophobicContact CG-CD 4.44Å; L187-K191 WeakPolarHBondContact O-CB 3.36Å; L187-K191 WeakPolarHBondContact O-CG 3.38Å; L187-K191 PolarHBondContact O-N 2.81Å; I188-K191 PolarHBondContact O-N 3.15Å
192	N	95.8	Very high	95.8	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-101.3	-18	-171.5	-160.2	52.7	0	0	0	112.8	T173 I188 K199 Y201 Y508 R510	T173-N192 WeakPolarHBondContact CG2-ND2 3.22Å; T173-N192 PolarHBondContact OG1-ND2 3.33Å; I188-N192 VanDerWaalsContact O-CB 3.29Å; I188-N192 WeakPolarHBondContact O-CB 3.44Å; I188-N192 PolarHBondContact O-N 3.09Å; N192-K199 PolarHBondContact O-NZ 3.23Å; N192-Y201 WeakPolarHBondContact CB-OH 3.47Å; N192-Y201 PolarHBondContact ND2-OH 2.74Å; N192-Y508 HydrophobicContact CB-CE2 3.87Å; N192-Y508 WeakPolarHBondContact CB-OH 3Å; N192-R510 WeakPolarHBondContact OD1-CD 3.22Å
193	G	95.9	Very high	95.9	Very high	19 Å²	19	44.8 Å²	44.8	20%	0.196	22%	0.219	C	C	.	.			trans	91	158	-172	0	0	0	0	0	112.5	F189 Y201	F189-G193 CarbonylContact O-C 3.52Å; F189-G193 WeakPolarHBondContact O-CA 3.48Å; F189-G193 PolarHBondContact O-N 2.9Å; G193-Y201 PolarHBondContact O-OH 3.21Å
194	L	97.4	Very high	96.1	Very high	55 Å²	55	39 Å²	39	29%	0.288	19%	0.192	S	C	.	.			trans	-69.2	155.4	-179.8	-61.6	166.8	0	0	0	111.6	F123 M130 F189 F224	F123-L194 HydrophobicContact CE2-CB 4.21Å; F123-L194 HydrophobicContact CE2-CD1 3.87Å; F123-L194 HydrophobicContact CZ-CD1 3.64Å; M130-L194 HydrophobicContact CE-CD2 3.6Å; M130-L194 HydrophobicContact SD-CD2 3.85Å; F189-L194 HydrophobicContact CB-CD2 3.67Å; F189-L194 HydrophobicContact CD1-CD2 4.41Å; F189-L194 HydrophobicContact CD2-CD2 3.95Å; F189-L194 HydrophobicContact CG-CD2 3.77Å; L194-F224 HydrophobicContact CB-CE1 4.47Å; L194-F224 HydrophobicContact CB-CZ 4.25Å; L194-F224 HydrophobicContact CD2-CE2 4.45Å; L194-F224 HydrophobicContact CD2-CZ 3.93Å
195	P	97	Very high	96.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.			trans	-54.9	139.2	170.7	-24.5	34.1	0	0	0	112.1	F189 Y201 F224 Y228 V232	F189-P195 HydrophobicContact CE1-CG 3.76Å; F189-P195 HydrophobicContact CZ-CG 4.11Å; P195-Y201 HydrophobicContact CB-CD2 3.94Å; P195-Y201 HydrophobicContact CB-CE2 4.32Å; P195-Y201 HydrophobicContact CG-CD2 3.76Å; P195-Y201 HydrophobicContact CG-CE2 3.97Å; P195-Y201 HydrophobicContact CG-CG 4.36Å; P195-F224 HydrophobicContact CB-CB 4.34Å; P195-F224 HydrophobicContact CB-CD1 3.8Å; P195-F224 HydrophobicContact CB-CE1 4.28Å; P195-F224 HydrophobicContact CB-CG 4.04Å; P195-F224 HydrophobicContact CG-CB 4.22Å; P195-F224 HydrophobicContact CG-CD1 3.87Å; P195-F224 HydrophobicContact CG-CD2 3.9Å; P195-F224 HydrophobicContact CG-CE1 4.19Å; P195-F224 HydrophobicContact CG-CE2 4.21Å; P195-F224 HydrophobicContact CG-CG 3.74Å; P195-F224 HydrophobicContact CG-CZ 4.36Å; P195-Y228 HydrophobicContact CB-CD2 4.35Å; P195-Y228 WeakPolarHBondContact O-CE2 3.45Å; P195-V232 HydrophobicContact CB-CG2 3.6Å; P195-V232 HydrophobicContact CG-CG2 4.32Å
196	S	94.6	Very high	96.2	Very high	31 Å²	31	38.9 Å²	38.9	22%	0.217	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-163.4	173.4	178.7	60.1	0	0	0	0	110.1	E198 K199	S196-E198 PolarHBondContact O-N 3.49Å; S196-E198 VanDerWaalsContact O-N 3.1Å; S196-K199 PolarHBondContact N-O 3.38Å; S196-K199 CarbonylContact O-C 3.38Å; S196-K199 VanDerWaalsContact O-C 3.25Å; S196-K199 PolarHBondContact O-N 3.4Å; S196-K199 PolarHBondContact OG-N 2.95Å
197	C	90.9	Very high	96.3	Very high	78 Å²	78	37.6 Å²	37.6	53%	0.527	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-30.9	173.9	-59.4	0	0	0	0	113.6
198	E	90.6	Very high	96.4	Very high	157 Å²	157	35.9 Å²	35.9	73%	0.734	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-15.6	179.1	-62	-175	174.4	0	0	113.6	S196	S196-E198 PolarHBondContact O-N 3.49Å; S196-E198 VanDerWaalsContact O-N 3.1Å
199	K	93.6	Very high	95.9	Very high	84 Å²	84	35.9 Å²	35.9	37%	0.365	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-129.9	78.6	-174.4	-65.1	-172.4	178.2	-172.5	0	110.3	N192 S196 Y201	N192-K199 PolarHBondContact O-NZ 3.23Å; S196-K199 PolarHBondContact N-O 3.38Å; S196-K199 CarbonylContact O-C 3.38Å; S196-K199 VanDerWaalsContact O-C 3.25Å; S196-K199 PolarHBondContact O-N 3.4Å; S196-K199 PolarHBondContact OG-N 2.95Å; K199-Y201 HydrophobicContact CB-CE2 4.35Å; K199-Y201 VanDerWaalsContact O-CD2 3.27Å; K199-Y201 WeakPolarHBondContact O-CD2 3.41Å
200	P	96.3	Very high	95.3	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.019	19%	0.189	C	C	.	.			trans	-71.2	149.6	175	28.5	-33.2	0	0	0	111.9	T169 E171 I172 T173 E231	T169-P200 HydrophobicContact CG2-CG 3.98Å; E171-P200 WeakPolarHBondContact O-CD 3.5Å; I172-P200 HydrophobicContact CB-CG 4.02Å; I172-P200 HydrophobicContact CD1-CB 4.35Å; I172-P200 HydrophobicContact CD1-CG 4.48Å; I172-P200 HydrophobicContact CG1-CB 4.1Å; I172-P200 HydrophobicContact CG1-CG 3.97Å; T173-P200 PolarHBondContact N-O 3.4Å; P200-E231 CarbonylContact C-O 3.43Å; P200-E231 WeakPolarHBondContact CA-O 3.43Å; P200-E231 HydrophobicContact CB-CB 3.99Å; P200-E231 VanDerWaalsContact CB-O 3.26Å; P200-E231 WeakPolarHBondContact CB-O 3.16Å
201	Y	98.4	Very high	94.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.1	-179	-82.4	-97.7	0	0	0	111.5	T173 I188 F189 N192 G193 P195 K199 F203 E231 H233	T173-Y201 HydrophobicContact CG2-CD1 3.67Å; T173-Y201 HydrophobicContact CG2-CE1 3.37Å; T173-Y201 CarbonylContact O-C 3.25Å; T173-Y201 VanDerWaalsContact O-CA 3.27Å; T173-Y201 WeakPolarHBondContact O-CA 3.39Å; I188-Y201 HydrophobicContact CG2-CE1 4.15Å; F189-Y201 HydrophobicContact CE1-CE1 4.35Å; N192-Y201 WeakPolarHBondContact CB-OH 3.47Å; N192-Y201 PolarHBondContact ND2-OH 2.74Å; G193-Y201 PolarHBondContact O-OH 3.21Å; P195-Y201 HydrophobicContact CB-CD2 3.94Å; P195-Y201 HydrophobicContact CB-CE2 4.32Å; P195-Y201 HydrophobicContact CG-CD2 3.76Å; P195-Y201 HydrophobicContact CG-CE2 3.97Å; P195-Y201 HydrophobicContact CG-CG 4.36Å; K199-Y201 HydrophobicContact CB-CE2 4.35Å; K199-Y201 VanDerWaalsContact O-CD2 3.27Å; K199-Y201 WeakPolarHBondContact O-CD2 3.41Å; Y201-F203 AromaticContact CD1-CE2 3.93Å; Y201-F203 HydrophobicContact CD1-CE2 3.93Å; Y201-F203 AromaticContact CD1-CZ 3.76Å; Y201-F203 HydrophobicContact CD1-CZ 3.76Å; Y201-F203 HydrophobicContact CE1-CZ 4.4Å; Y201-F203 AromaticContact CG-CE2 3.98Å; Y201-F203 HydrophobicContact CG-CE2 3.98Å; Y201-F203 HydrophobicContact CG-CZ 4.24Å; Y201-E231 PolarHBondContact N-O 2.8Å; Y201-H233 PolarHBondContact O-CD2 2.84Å; Y201-H233 PolarHBondContact O-N 3.32Å
202	V	98.7	Very high	94.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.5	162.6	-176.2	0	0	0	0	107.7	I172 T173 I174 C175 H233 T280 V288	I172-V202 HydrophobicContact CD1-CG2 3.78Å; I172-V202 HydrophobicContact CG1-CG2 4.37Å; T173-V202 PolarHBondContact O-N 3.36Å; I174-V202 CarbonylContact C-O 3.42Å; I174-V202 WeakPolarHBondContact CA-O 3.38Å; I174-V202 HydrophobicContact CG1-CB 4.32Å; I174-V202 HydrophobicContact CG2-CB 4.25Å; C175-V202 PolarHBondContact N-O 3.37Å; V202-H233 CarbonylContact C-O 3.54Å; V202-H233 WeakPolarHBondContact CA-O 3.19Å; V202-H233 HydrophobicContact CG2-CB 4.22Å; V202-T280 HydrophobicContact CG2-CG2 4.03Å; V202-V288 HydrophobicContact CG1-CG1 4.12Å
203	F	98.9	Very high	94.6	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.5	168.9	-64.5	-92.4	0	0	0	108.6	C175 L178 L185 F189 Y201 G205 F207 L221 H233 L234 N235	C175-F203 HydrophobicContact CB-CD1 3.62Å; C175-F203 HydrophobicContact CB-CE1 3.91Å; C175-F203 HydrophobicContact CB-CG 4.4Å; L178-F203 HydrophobicContact CD1-CD1 4.05Å; L178-F203 HydrophobicContact CD1-CE1 4.3Å; L185-F203 HydrophobicContact CD1-CE1 3.68Å; L185-F203 HydrophobicContact CD1-CZ 4.1Å; F189-F203 AromaticContact CE1-CZ 3.88Å; F189-F203 HydrophobicContact CE1-CZ 3.88Å; F189-F203 AromaticContact CZ-CZ 3.96Å; F189-F203 HydrophobicContact CZ-CZ 3.96Å; Y201-F203 AromaticContact CD1-CE2 3.93Å; Y201-F203 HydrophobicContact CD1-CE2 3.93Å; Y201-F203 AromaticContact CD1-CZ 3.76Å; Y201-F203 HydrophobicContact CD1-CZ 3.76Å; Y201-F203 HydrophobicContact CE1-CZ 4.4Å; Y201-F203 AromaticContact CG-CE2 3.98Å; Y201-F203 HydrophobicContact CG-CE2 3.98Å; Y201-F203 HydrophobicContact CG-CZ 4.24Å; F203-G205 PolarHBondContact O-N 2.93Å; F203-F207 HydrophobicContact CB-CD1 4.45Å; F203-F207 HydrophobicContact CB-CE1 3.65Å; F203-F207 HydrophobicContact CB-CZ 4.35Å; F203-L221 HydrophobicContact CD1-CD1 4.44Å; F203-L221 HydrophobicContact CD1-CD2 3.84Å; F203-L221 HydrophobicContact CD2-CD2 3.79Å; F203-L221 HydrophobicContact CE1-CD2 3.69Å; F203-L221 HydrophobicContact CE2-CD2 3.62Å; F203-L221 HydrophobicContact CG-CD1 4.38Å; F203-L221 HydrophobicContact CG-CD2 3.89Å; F203-L221 HydrophobicContact CZ-CD2 3.58Å; F203-H233 PolarHBondContact N-O 2.99Å; F203-L234 HydrophobicContact CB-CD2 3.76Å; F203-L234 HydrophobicContact CD2-CD2 3.77Å; F203-L234 HydrophobicContact CG-CD2 4.11Å; F203-N235 PolarHBondContact O-N 3.21Å
204	N	98.8	Very high	94.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	63.3	-163.9	-168.3	42	0	0	0	113	C175 N235 V288 V289 H290 S473	C175-N204 WeakPolarHBondContact O-CB 3.16Å; C175-N204 PolarHBondContact O-N 3.13Å; N204-N235 PolarHBondContact OD1-ND2 3.46Å; N204-V288 HydrophobicContact CB-CG1 4.11Å; N204-V289 VanDerWaalsContact ND2-C 3.3Å; N204-V289 PolarHBondContact ND2-O 3.5Å; N204-V289 VanDerWaalsContact OD1-C 3.27Å; N204-H290 PolarHBondContact O-ND1 3.26Å; N204-H290 PolarHBondContact OD1-N 3.16Å; N204-S473 WeakPolarHBondContact CB-OG 3.49Å; N204-S473 PolarHBondContact ND2-OG 2.82Å; N204-S473 PolarHBondContact O-OG 2.78Å
205	G	97.8	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	75.8	174.4	175.4	0	0	0	0	0	115.3	F203 N235	F203-G205 PolarHBondContact O-N 2.93Å; G205-N235 VanDerWaalsContact CA-O 3.23Å; G205-N235 WeakPolarHBondContact CA-O 3.49Å; G205-N235 PolarHBondContact N-O 2.96Å; G205-N235 VanDerWaalsContact N-O 3.12Å
206	D	98.4	Very high	94.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.169	C	C	.	.			trans	57.4	55.8	173.5	-76.2	15.3	0	0	0	113.2	D177 L178 H179 G237 N238 H239 E240 H290	D177-D206 HydrophobicContact CB-CB 3.84Å; L178-D206 PolarHBondContact N-O 3.14Å; H179-D206 IonicContact CE1-OD2 3.17Å; H179-D206 PolarHBondContact CE1-OD2 3.28Å; H179-D206 VanDerWaalsContact CE1-OD2 3.31Å; H179-D206 PolarHBondContact N-O 3.16Å; H179-D206 IonicContact NE2-OD2 2.67Å; D206-G237 WeakPolarHBondContact OD1-CA 3.43Å; D206-N238 PolarHBondContact OD1-N 3.43Å; D206-N238 PolarHBondContact OD1-OD1 2.76Å; D206-N238 PolarHBondContact OD2-OD1 3.03Å; D206-N238 VanDerWaalsContact OD2-OD1 3.06Å; D206-H239 HydrophobicContact CB-CB 4.45Å; D206-H239 WeakPolarHBondContact OD1-CB 3.43Å; D206-H239 IonicContact OD1-CD2 3.57Å; D206-H239 IonicContact OD1-CG 2.72Å; D206-H239 PolarHBondContact OD1-N 2.77Å; D206-H239 IonicContact OD2-CD2 3.75Å; D206-H239 PolarHBondContact OD2-CD2 3.46Å; D206-H239 IonicContact OD2-CG 2.85Å; D206-E240 PolarHBondContact N-OE1 2.94Å; D206-E240 PolarHBondContact N-OE2 2.91Å; D206-H290 IonicContact OD1-CE1 3.16Å; D206-H290 PolarHBondContact OD1-CE1 3.41Å; D206-H290 IonicContact OD1-NE2 2.74Å; D206-H290 PolarHBondContact OD1-NE2 2.93Å; D206-H290 IonicContact OD2-CE1 2.71Å; D206-H290 PolarHBondContact OD2-CE1 3.35Å; D206-H290 VanDerWaalsContact OD2-CE1 3.27Å; D206-H290 IonicContact OD2-NE2 3.99Å; D206-H290 PolarHBondContact OD2-NE2 3.22Å
207	F	98.3	Very high	95	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.			trans	-78.4	-31.3	177.5	-42.6	-49.5	0	0	0	111.5	G180 F203 I217 L218 L221 L234 N235 E240 L276	G180-F207 PolarHBondContact N-O 3.04Å; F203-F207 HydrophobicContact CB-CD1 4.45Å; F203-F207 HydrophobicContact CB-CE1 3.65Å; F203-F207 HydrophobicContact CB-CZ 4.35Å; F207-I217 HydrophobicContact CB-CG2 4.18Å; F207-L218 HydrophobicContact CB-CD1 4.32Å; F207-L218 HydrophobicContact CD2-CD1 4.06Å; F207-L221 HydrophobicContact CB-CD1 4.22Å; F207-L221 HydrophobicContact CD1-CD1 3.6Å; F207-L221 HydrophobicContact CE1-CD1 4.1Å; F207-L221 HydrophobicContact CG-CD1 3.84Å; F207-L234 HydrophobicContact CE2-CB 4.38Å; F207-L234 HydrophobicContact CZ-CB 4.03Å; F207-L234 HydrophobicContact CZ-CD2 4.4Å; F207-N235 VanDerWaalsContact CZ-O 3.22Å; F207-N235 WeakPolarHBondContact CZ-O 3.42Å; F207-E240 HydrophobicContact CD2-CG 4Å; F207-E240 WeakPolarHBondContact CD2-OE1 3.27Å; F207-E240 HydrophobicContact CE2-CG 4.25Å; F207-E240 PolarHBondContact N-OE1 3.41Å; F207-L276 HydrophobicContact CE2-CD1 4.27Å
208	V	97.3	Very high	95.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-112.6	179.2	-169.5	-56.6	0	0	0	0	112.5	H179 L218 H239 F250 F273	H179-V208 PolarHBondContact ND1-O 3.14Å; H179-V208 VanDerWaalsContact ND1-O 3.08Å; V208-L218 HydrophobicContact CG1-CD1 3.96Å; V208-H239 HydrophobicContact CG2-CB 4.42Å; V208-H239 WeakPolarHBondContact CG2-O 3.43Å; V208-F250 HydrophobicContact CB-CB 4.32Å; V208-F250 HydrophobicContact CB-CD1 4.08Å; V208-F250 HydrophobicContact CB-CD2 3.96Å; V208-F250 HydrophobicContact CB-CE1 4.33Å; V208-F250 HydrophobicContact CB-CE2 4.21Å; V208-F250 HydrophobicContact CB-CG 3.87Å; V208-F250 HydrophobicContact CB-CZ 4.38Å; V208-F250 HydrophobicContact CG1-CD1 4.31Å; V208-F250 HydrophobicContact CG1-CD2 4.12Å; V208-F250 HydrophobicContact CG1-CE1 4.05Å; V208-F250 HydrophobicContact CG1-CE2 3.83Å; V208-F250 HydrophobicContact CG1-CG 4.33Å; V208-F250 HydrophobicContact CG1-CZ 3.79Å; V208-F250 HydrophobicContact CG2-CB 4.48Å; V208-F250 HydrophobicContact CG2-CD1 4Å; V208-F250 HydrophobicContact CG2-CE1 4.38Å; V208-F250 HydrophobicContact CG2-CG 4.18Å; V208-F273 HydrophobicContact CG1-CZ 4.4Å; V208-F273 HydrophobicContact CG2-CZ 4.33Å
209	D	88.1	Confident	95.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	66.7	164.8	-178.1	-75.9	-40.7	0	0	0	114.7	H179 G211 S214 H239 N245 G249 F250	H179-D209 CarbonylContact C-O 3.57Å; H179-D209 VanDerWaalsContact CA-O 3.3Å; H179-D209 WeakPolarHBondContact CA-O 3.34Å; H179-D209 WeakPolarHBondContact CB-O 3.41Å; H179-D209 VanDerWaalsContact O-O 3.11Å; D209-G211 PolarHBondContact O-N 2.56Å; D209-S214 PolarHBondContact N-OG 3.05Å; D209-H239 HydrophobicContact CB-CB 4.49Å; D209-H239 WeakPolarHBondContact CB-ND1 3.22Å; D209-H239 IonicContact OD2-CE1 3.76Å; D209-H239 IonicContact OD2-CG 2.93Å; D209-H239 IonicContact OD2-ND1 3.78Å; D209-H239 PolarHBondContact OD2-ND1 3.2Å; D209-N245 WeakPolarHBondContact OD2-CA 3.4Å; D209-N245 PolarHBondContact OD2-ND2 2.91Å; D209-G249 PolarHBondContact OD1-N 2.88Å; D209-F250 WeakPolarHBondContact OD1-CB 3.17Å; D209-F250 PolarHBondContact OD1-N 3.49Å
210	R	85.3	Confident	95.9	Very high	80 Å²	80	17 Å²	17	30%	0.302	8%	0.081	S	C	.	.	S	Bend	trans	65.9	-56.8	-177.5	-44.6	-68.3	-171.7	115.2	2.7	113.8	E51 E55 H179 Y248 Y498	E51-R210 IonicContact OE1-CZ 2.66Å; E51-R210 IonicContact OE1-NH1 3.62Å; E51-R210 PolarHBondContact OE1-NH1 3.45Å; E51-R210 IonicContact OE1-NH2 3.98Å; E51-R210 PolarHBondContact OE1-NH2 3.47Å; E55-R210 IonicContact OE1-NH2 3.62Å; E55-R210 PolarHBondContact OE1-NH2 3.27Å; H179-R210 HydrophobicContact CB-CB 4.19Å; H179-R210 HydrophobicContact CB-CG 4.4Å; R210-Y248 PolarHBondContact N-O 3.26Å; R210-Y498 HydrophobicContact CB-CE2 4.22Å; R210-Y498 HydrophobicContact CG-CE2 4.11Å; R210-Y498 VanDerWaalsContact CZ-OH 3.28Å; R210-Y498 PolarHBondContact NH1-OH 3.32Å
211	G	84.5	Confident	96.1	Very high	21 Å²	21	16.9 Å²	16.9	22%	0.216	8%	0.08	C	C	.	.	S	Bend	trans	-76	173.6	175	0	0	0	0	0	113.4	H179 D209	H179-G211 WeakPolarHBondContact O-CA 3.32Å; H179-G211 PolarHBondContact O-N 2.87Å; D209-G211 PolarHBondContact O-N 2.56Å
212	K	88.7	Confident	96.1	Very high	174 Å²	174	16.9 Å²	16.9	76%	0.757	8%	0.08	S	C	*	.	S	Bend	trans	-101.8	-7.4	-174.3	-61.5	-179.3	-179.1	178.6	0	113.9	E253 K257	K212-E253 VanDerWaalsContact C-OE2 3.31Å; K212-E253 VanDerWaalsContact O-CD 3.28Å; K212-K257 PolarHBondContact O-NZ 3.22Å
213	N	96.6	Very high	96.1	Very high	59 Å²	59	16.9 Å²	16.9	32%	0.316	8%	0.08	S	C	.	.			trans	-119.7	33.7	-173.5	-60.3	105.8	0	0	0	112.2	G180 L182 E216 I217	G180-N213 WeakPolarHBondContact O-CB 3.4Å; G180-N213 PolarHBondContact O-N 3.12Å; L182-N213 HydrophobicContact CB-CB 3.6Å; L182-N213 HydrophobicContact CD2-CB 4.35Å; N213-E216 VanDerWaalsContact C-OE2 3.24Å; N213-E216 WeakPolarHBondContact CA-OE2 2.83Å; N213-E216 PolarHBondContact O-N 2.71Å; N213-I217 WeakPolarHBondContact O-CG1 3.49Å; N213-I217 PolarHBondContact O-N 3.33Å; N213-I217 VanDerWaalsContact O-N 3.15Å
214	S	97.9	Very high	96.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-45.8	-176.8	-52.5	0	0	0	0	111.7	D209 E216 I217 L218 E253	D209-S214 PolarHBondContact N-OG 3.05Å; S214-E216 PolarHBondContact O-N 3.42Å; S214-I217 PolarHBondContact O-N 2.89Å; S214-L218 WeakPolarHBondContact O-CB 3.41Å; S214-L218 PolarHBondContact O-N 2.79Å; S214-E253 WeakPolarHBondContact CB-OE2 3.25Å; S214-E253 PolarHBondContact N-OE1 3.35Å; S214-E253 VanDerWaalsContact N-OE1 3.15Å; S214-E253 PolarHBondContact N-OE2 3.41Å; S214-E253 PolarHBondContact OG-OE2 3.48Å
215	L	98	Very high	96	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-68.7	-36.4	-178	-175.8	63.5	0	0	0	111.6	L218 L219 F250 E253 V254 Y258 L269	L215-L218 PolarHBondContact O-N 3.39Å; L215-L219 HydrophobicContact CD1-CD1 4.24Å; L215-L219 HydrophobicContact CD1-CG 4.18Å; L215-L219 HydrophobicContact CG-CD1 3.94Å; L215-L219 HydrophobicContact CG-CG 4.31Å; L215-L219 WeakPolarHBondContact O-CB 3.22Å; L215-L219 WeakPolarHBondContact O-CG 3.34Å; L215-L219 PolarHBondContact O-N 3.14Å; L215-F250 HydrophobicContact CB-CE2 4.13Å; L215-F250 HydrophobicContact CD1-CZ 4.49Å; L215-E253 WeakPolarHBondContact CB-OE1 3.48Å; L215-E253 PolarHBondContact N-OE1 3.07Å; L215-V254 HydrophobicContact CD2-CG2 4.46Å; L215-Y258 HydrophobicContact CD2-CD2 3.94Å; L215-Y258 HydrophobicContact CD2-CE2 3.3Å; L215-L269 HydrophobicContact CD1-CD1 4.48Å
216	E	98.5	Very high	96.1	Very high	16 Å²	16	18.7 Å²	18.7	8%	0.075	9%	0.09	C	C	.	.	H	α-helix	trans	-63.1	-45.6	175.7	-68.7	80.1	-178.2	0	0	111.6	F133 L182 N213 S214 L219 I220 K257	F133-E216 HydrophobicContact CB-CB 4.23Å; F133-E216 HydrophobicContact CB-CG 4.05Å; F133-E216 HydrophobicContact CD1-CB 4.36Å; F133-E216 HydrophobicContact CD1-CG 3.62Å; F133-E216 HydrophobicContact CD2-CB 3.53Å; F133-E216 HydrophobicContact CD2-CG 3.75Å; F133-E216 HydrophobicContact CE1-CG 3.87Å; F133-E216 HydrophobicContact CE2-CB 3.83Å; F133-E216 HydrophobicContact CE2-CG 3.99Å; F133-E216 HydrophobicContact CG-CB 3.82Å; F133-E216 HydrophobicContact CG-CG 3.55Å; F133-E216 HydrophobicContact CZ-CB 4.35Å; F133-E216 HydrophobicContact CZ-CG 4.04Å; L182-E216 HydrophobicContact CD1-CB 4.49Å; L182-E216 HydrophobicContact CD2-CB 4.09Å; N213-E216 VanDerWaalsContact C-OE2 3.24Å; N213-E216 WeakPolarHBondContact CA-OE2 2.83Å; N213-E216 PolarHBondContact O-N 2.71Å; S214-E216 PolarHBondContact O-N 3.42Å; E216-L219 PolarHBondContact O-N 2.86Å; E216-I220 VanDerWaalsContact O-CG1 3.29Å; E216-I220 WeakPolarHBondContact O-CG1 3.47Å; E216-I220 PolarHBondContact O-N 3.42Å; E216-K257 WeakPolarHBondContact OE1-CE 3.22Å; E216-K257 IonicContact OE1-NZ 2.73Å; E216-K257 PolarHBondContact OE1-NZ 2.72Å; E216-K257 IonicContact OE2-NZ 3.07Å; E216-K257 PolarHBondContact OE2-NZ 3.26Å
217	I	98.6	Very high	96.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.1	-52.4	174.1	-72.3	-178.3	0	0	0	109.9	L178 L182 L185 F207 N213 S214 L219 I220 L221	L178-I217 HydrophobicContact CB-CD1 4.05Å; L178-I217 HydrophobicContact CD1-CG2 3.92Å; L182-I217 HydrophobicContact CB-CG1 4.26Å; L182-I217 HydrophobicContact CD1-CG1 4.09Å; L185-I217 HydrophobicContact CD2-CB 4.35Å; L185-I217 HydrophobicContact CD2-CG1 4.05Å; L185-I217 HydrophobicContact CD2-CG2 4.14Å; F207-I217 HydrophobicContact CB-CG2 4.18Å; N213-I217 WeakPolarHBondContact O-CG1 3.49Å; N213-I217 PolarHBondContact O-N 3.33Å; N213-I217 VanDerWaalsContact O-N 3.15Å; S214-I217 PolarHBondContact O-N 2.89Å; I217-L219 VanDerWaalsContact C-N 3.3Å; I217-L219 PolarHBondContact O-N 3.25Å; I217-I220 PolarHBondContact O-N 2.78Å; I217-I220 VanDerWaalsContact O-N 3.12Å; I217-L221 HydrophobicContact CG2-CD1 3.79Å; I217-L221 HydrophobicContact CG2-CG 4.14Å; I217-L221 WeakPolarHBondContact O-CG 3.33Å; I217-L221 PolarHBondContact O-N 3.34Å
218	L	98.4	Very high	96	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57	-44.9	-177.2	-162.7	89.9	0	0	0	111.8	L148 F207 V208 S214 L215 I220 L221 F222 L269 F273	L148-L218 HydrophobicContact CD2-CD2 4.27Å; F207-L218 HydrophobicContact CB-CD1 4.32Å; F207-L218 HydrophobicContact CD2-CD1 4.06Å; V208-L218 HydrophobicContact CG1-CD1 3.96Å; S214-L218 WeakPolarHBondContact O-CB 3.41Å; S214-L218 PolarHBondContact O-N 2.79Å; L215-L218 PolarHBondContact O-N 3.39Å; L218-I220 PolarHBondContact O-N 2.83Å; L218-L221 PolarHBondContact O-N 3.17Å; L218-F222 HydrophobicContact CD1-CE1 4.28Å; L218-F222 HydrophobicContact CD1-CE2 4.15Å; L218-F222 HydrophobicContact CD1-CZ 3.79Å; L218-F222 HydrophobicContact CD2-CD2 4.04Å; L218-F222 HydrophobicContact CD2-CE2 3.35Å; L218-F222 HydrophobicContact CD2-CZ 3.84Å; L218-F222 HydrophobicContact CG-CD2 3.97Å; L218-F222 HydrophobicContact CG-CE1 4.28Å; L218-F222 HydrophobicContact CG-CE2 3.5Å; L218-F222 HydrophobicContact CG-CZ 3.67Å; L218-F222 WeakPolarHBondContact O-CB 3.38Å; L218-F222 VanDerWaalsContact O-CG 3.24Å; L218-F222 WeakPolarHBondContact O-CG 3.4Å; L218-F222 PolarHBondContact O-N 3.42Å; L218-L269 HydrophobicContact CD2-CD2 3.19Å; L218-F273 HydrophobicContact CD1-CE1 3.86Å; L218-F273 HydrophobicContact CD1-CZ 4.35Å; L218-F273 HydrophobicContact CD2-CE1 4.31Å
219	L	98.7	Very high	95.9	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-33.7	179.4	-67.7	172.6	0	0	0	112.8	L129 F133 L139 V144 I147 L148 L215 E216 I217 G223	L129-L219 HydrophobicContact CD2-CB 4.19Å; F133-L219 HydrophobicContact CE2-CB 4.01Å; F133-L219 HydrophobicContact CE2-CD1 4.37Å; F133-L219 HydrophobicContact CZ-CB 4.28Å; F133-L219 HydrophobicContact CZ-CD1 3.83Å; L139-L219 HydrophobicContact CD2-CD1 4.09Å; V144-L219 HydrophobicContact CG1-CD1 4.44Å; V144-L219 HydrophobicContact CG1-CD2 4.26Å; V144-L219 HydrophobicContact CG2-CD1 4.02Å; I147-L219 HydrophobicContact CB-CD2 4.07Å; I147-L219 HydrophobicContact CD1-CD2 4.08Å; I147-L219 HydrophobicContact CG2-CD2 3.91Å; L148-L219 HydrophobicContact CD2-CD2 4.29Å; L148-L219 HydrophobicContact CG-CD2 4.47Å; L215-L219 HydrophobicContact CD1-CD1 4.24Å; L215-L219 HydrophobicContact CD1-CG 4.18Å; L215-L219 HydrophobicContact CG-CD1 3.94Å; L215-L219 HydrophobicContact CG-CG 4.31Å; L215-L219 WeakPolarHBondContact O-CB 3.22Å; L215-L219 WeakPolarHBondContact O-CG 3.34Å; L215-L219 PolarHBondContact O-N 3.14Å; E216-L219 PolarHBondContact O-N 2.86Å; I217-L219 VanDerWaalsContact C-N 3.3Å; I217-L219 PolarHBondContact O-N 3.25Å; L219-G223 PolarHBondContact O-N 3.16Å
220	I	98.8	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-48.3	172.6	-69.6	165.1	0	0	0	110.5	L129 M130 F133 L182 L185 F189 E216 I217 L218 G223 F224	L129-I220 HydrophobicContact CD2-CG1 4.49Å; M130-I220 HydrophobicContact CG-CD1 3.95Å; M130-I220 HydrophobicContact CG-CG1 3.85Å; M130-I220 HydrophobicContact CG-CG2 3.99Å; M130-I220 HydrophobicContact SD-CG2 4.22Å; F133-I220 HydrophobicContact CD2-CD1 3.85Å; F133-I220 HydrophobicContact CD2-CG1 3.87Å; F133-I220 HydrophobicContact CE2-CG1 4.2Å; L182-I220 HydrophobicContact CD1-CD1 3.62Å; L185-I220 HydrophobicContact CD2-CB 4.39Å; L185-I220 HydrophobicContact CD2-CD1 4.39Å; L185-I220 HydrophobicContact CD2-CG2 4.16Å; F189-I220 HydrophobicContact CE2-CG2 3.88Å; E216-I220 VanDerWaalsContact O-CG1 3.29Å; E216-I220 WeakPolarHBondContact O-CG1 3.47Å; E216-I220 PolarHBondContact O-N 3.42Å; I217-I220 PolarHBondContact O-N 2.78Å; I217-I220 VanDerWaalsContact O-N 3.12Å; L218-I220 PolarHBondContact O-N 2.83Å; I220-G223 PolarHBondContact O-N 3.17Å; I220-F224 HydrophobicContact CG2-CD2 3.78Å; I220-F224 HydrophobicContact CG2-CE2 3.73Å; I220-F224 WeakPolarHBondContact O-CD2 3.33Å; I220-F224 PolarHBondContact O-N 2.87Å
221	L	98.8	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-45	-179.5	-65.8	-176.5	0	0	0	111.4	L178 L185 F203 F207 I217 L218 F224 L225 L234	L178-L221 HydrophobicContact CD1-CD1 4.35Å; L185-L221 HydrophobicContact CD1-CD2 4.23Å; L185-L221 HydrophobicContact CD2-CD2 4.39Å; F203-L221 HydrophobicContact CD1-CD1 4.44Å; F203-L221 HydrophobicContact CD1-CD2 3.84Å; F203-L221 HydrophobicContact CD2-CD2 3.79Å; F203-L221 HydrophobicContact CE1-CD2 3.69Å; F203-L221 HydrophobicContact CE2-CD2 3.62Å; F203-L221 HydrophobicContact CG-CD1 4.38Å; F203-L221 HydrophobicContact CG-CD2 3.89Å; F203-L221 HydrophobicContact CZ-CD2 3.58Å; F207-L221 HydrophobicContact CB-CD1 4.22Å; F207-L221 HydrophobicContact CD1-CD1 3.6Å; F207-L221 HydrophobicContact CE1-CD1 4.1Å; F207-L221 HydrophobicContact CG-CD1 3.84Å; I217-L221 HydrophobicContact CG2-CD1 3.79Å; I217-L221 HydrophobicContact CG2-CG 4.14Å; I217-L221 WeakPolarHBondContact O-CG 3.33Å; I217-L221 PolarHBondContact O-N 3.34Å; L218-L221 PolarHBondContact O-N 3.17Å; L221-F224 PolarHBondContact O-N 3.18Å; L221-L225 WeakPolarHBondContact O-CB 3.5Å; L221-L225 PolarHBondContact O-N 3.05Å; L221-L234 HydrophobicContact CB-CD1 4.13Å; L221-L234 HydrophobicContact CB-CD2 4.12Å; L221-L234 HydrophobicContact CD1-CD2 4.35Å
222	F	98.8	Very high	97.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-38.8	173.9	-71.1	-10.2	0	0	0	112.7	I147 L148 T151 L218 F224 L225 L226 L234 I272 L276	I147-F222 HydrophobicContact CG2-CB 3.87Å; L148-F222 HydrophobicContact CD2-CD2 3.74Å; L148-F222 HydrophobicContact CD2-CE2 3.64Å; T151-F222 HydrophobicContact CG2-CB 4.12Å; T151-F222 HydrophobicContact CG2-CD1 3.6Å; T151-F222 HydrophobicContact CG2-CD2 3.81Å; T151-F222 HydrophobicContact CG2-CE1 3.88Å; T151-F222 HydrophobicContact CG2-CE2 4.06Å; T151-F222 HydrophobicContact CG2-CG 3.57Å; T151-F222 HydrophobicContact CG2-CZ 4.11Å; T151-F222 WeakPolarHBondContact OG1-CB 3.37Å; L218-F222 HydrophobicContact CD1-CE1 4.28Å; L218-F222 HydrophobicContact CD1-CE2 4.15Å; L218-F222 HydrophobicContact CD1-CZ 3.79Å; L218-F222 HydrophobicContact CD2-CD2 4.04Å; L218-F222 HydrophobicContact CD2-CE2 3.35Å; L218-F222 HydrophobicContact CD2-CZ 3.84Å; L218-F222 HydrophobicContact CG-CD2 3.97Å; L218-F222 HydrophobicContact CG-CE1 4.28Å; L218-F222 HydrophobicContact CG-CE2 3.5Å; L218-F222 HydrophobicContact CG-CZ 3.67Å; L218-F222 WeakPolarHBondContact O-CB 3.38Å; L218-F222 VanDerWaalsContact O-CG 3.24Å; L218-F222 WeakPolarHBondContact O-CG 3.4Å; L218-F222 PolarHBondContact O-N 3.42Å; F222-F224 VanDerWaalsContact C-N 3.33Å; F222-F224 PolarHBondContact O-N 3.34Å; F222-L225 PolarHBondContact O-N 2.9Å; F222-L226 WeakPolarHBondContact O-CB 3.07Å; F222-L226 VanDerWaalsContact O-CG 3.27Å; F222-L226 WeakPolarHBondContact O-CG 3.23Å; F222-L226 PolarHBondContact O-N 3.31Å; F222-L234 HydrophobicContact CD1-CD1 3.59Å; F222-L234 HydrophobicContact CE1-CD1 3.75Å; F222-I272 HydrophobicContact CE1-CG2 4.42Å; F222-I272 HydrophobicContact CE2-CG2 3.84Å; F222-I272 HydrophobicContact CZ-CG2 3.49Å; F222-I272 VanDerWaalsContact CZ-CG2 3.49Å; F222-L276 HydrophobicContact CE1-CD2 4.48Å
223	G	98.5	Very high	97.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-55.8	-48.4	172.2	0	0	0	0	0	111.8	V126 L219 I220 L226 V227	V126-G223 WeakPolarHBondContact CG2-O 3.45Å; L219-G223 PolarHBondContact O-N 3.16Å; I220-G223 PolarHBondContact O-N 3.17Å; G223-L226 PolarHBondContact O-N 3.09Å; G223-V227 VanDerWaalsContact O-CG2 3.32Å; G223-V227 WeakPolarHBondContact O-CG2 3.46Å; G223-V227 PolarHBondContact O-N 2.96Å; G223-V227 VanDerWaalsContact O-N 3.16Å
224	F	98.7	Very high	97.9	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-68.2	-37.8	176.9	-80.6	-59.5	0	0	0	113.6	F123 V126 M130 F189 L194 P195 I220 L221 F222 L226 V227 Y228 V232	F123-F224 HydrophobicContact CD2-CE1 4.22Å; F123-F224 HydrophobicContact CE2-CE1 4.21Å; V126-F224 HydrophobicContact CB-CE1 4.46Å; V126-F224 HydrophobicContact CG1-CD1 4.07Å; V126-F224 HydrophobicContact CG1-CD2 3.87Å; V126-F224 HydrophobicContact CG1-CE1 3.84Å; V126-F224 HydrophobicContact CG1-CE2 3.64Å; V126-F224 HydrophobicContact CG1-CG 4.07Å; V126-F224 HydrophobicContact CG1-CZ 3.6Å; M130-F224 HydrophobicContact SD-CE2 3.57Å; M130-F224 VanDerWaalsContact SD-CE2 3.57Å; M130-F224 HydrophobicContact SD-CZ 3.66Å; F189-F224 HydrophobicContact CE2-CD2 4.35Å; F189-F224 AromaticContact CE2-CE2 3.84Å; F189-F224 HydrophobicContact CE2-CE2 3.84Å; F189-F224 HydrophobicContact CZ-CD2 4.1Å; F189-F224 AromaticContact CZ-CE2 3.94Å; F189-F224 HydrophobicContact CZ-CE2 3.94Å; L194-F224 HydrophobicContact CB-CE1 4.47Å; L194-F224 HydrophobicContact CB-CZ 4.25Å; L194-F224 HydrophobicContact CD2-CE2 4.45Å; L194-F224 HydrophobicContact CD2-CZ 3.93Å; P195-F224 HydrophobicContact CB-CB 4.34Å; P195-F224 HydrophobicContact CB-CD1 3.8Å; P195-F224 HydrophobicContact CB-CE1 4.28Å; P195-F224 HydrophobicContact CB-CG 4.04Å; P195-F224 HydrophobicContact CG-CB 4.22Å; P195-F224 HydrophobicContact CG-CD1 3.87Å; P195-F224 HydrophobicContact CG-CD2 3.9Å; P195-F224 HydrophobicContact CG-CE1 4.19Å; P195-F224 HydrophobicContact CG-CE2 4.21Å; P195-F224 HydrophobicContact CG-CG 3.74Å; P195-F224 HydrophobicContact CG-CZ 4.36Å; I220-F224 HydrophobicContact CG2-CD2 3.78Å; I220-F224 HydrophobicContact CG2-CE2 3.73Å; I220-F224 WeakPolarHBondContact O-CD2 3.33Å; I220-F224 PolarHBondContact O-N 2.87Å; L221-F224 PolarHBondContact O-N 3.18Å; F222-F224 VanDerWaalsContact C-N 3.33Å; F222-F224 PolarHBondContact O-N 3.34Å; F224-L226 VanDerWaalsContact C-N 3.3Å; F224-L226 PolarHBondContact O-N 2.95Å; F224-V227 PolarHBondContact O-N 3.29Å; F224-Y228 HydrophobicContact CD1-CD2 4.12Å; F224-Y228 HydrophobicContact CD1-CE2 4.14Å; F224-Y228 HydrophobicContact CE1-CE2 4.49Å; F224-Y228 PolarHBondContact O-N 3.01Å; F224-V232 HydrophobicContact CB-CG1 4.36Å; F224-V232 HydrophobicContact CB-CG2 4.17Å
225	L	98.5	Very high	97.9	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-59.8	-40.5	173.1	177.2	66.4	0	0	0	111.7	T151 L154 L155 L221 F222 V227 Y228 P229 V232 L234	T151-L225 HydrophobicContact CG2-CD2 4.26Å; L154-L225 HydrophobicContact CD2-CD1 4.33Å; L154-L225 HydrophobicContact CD2-CD2 4.31Å; L154-L225 HydrophobicContact CD2-CG 3.82Å; L155-L225 HydrophobicContact CD2-CD2 3.9Å; L221-L225 WeakPolarHBondContact O-CB 3.5Å; L221-L225 PolarHBondContact O-N 3.05Å; F222-L225 PolarHBondContact O-N 2.9Å; L225-V227 VanDerWaalsContact C-N 3.35Å; L225-Y228 CarbonylContact O-C 3.39Å; L225-P229 WeakPolarHBondContact O-CA 3.49Å; L225-P229 WeakPolarHBondContact O-CB 3.47Å; L225-P229 VanDerWaalsContact O-N 3.15Å; L225-V232 HydrophobicContact CB-CG1 4.31Å; L225-V232 WeakPolarHBondContact CD1-O 3.32Å; L225-L234 HydrophobicContact CB-CD1 4.38Å; L225-L234 HydrophobicContact CD2-CD1 3.97Å; L225-L234 HydrophobicContact CD2-CG 4.46Å
226	L	98.4	Very high	97.9	Very high	35 Å²	35	16.9 Å²	16.9	18%	0.183	9%	0.089	C	C	.	.	H	α-helix	trans	-69.6	-30.6	177.5	-70.6	172	0	0	0	113	F119 M121 I147 E150 L154 F222 G223 F224	F119-L226 HydrophobicContact CE1-CD1 4.37Å; M121-L226 HydrophobicContact CB-CB 3.88Å; M121-L226 HydrophobicContact CB-CD1 4.38Å; M121-L226 HydrophobicContact CG-CB 4.32Å; I147-L226 HydrophobicContact CG2-CD1 4.33Å; E150-L226 HydrophobicContact CB-CD1 3.97Å; E150-L226 HydrophobicContact CB-CD2 3.89Å; L154-L226 HydrophobicContact CB-CD2 4.41Å; L154-L226 HydrophobicContact CD2-CD2 4.05Å; F222-L226 WeakPolarHBondContact O-CB 3.07Å; F222-L226 VanDerWaalsContact O-CG 3.27Å; F222-L226 WeakPolarHBondContact O-CG 3.23Å; F222-L226 PolarHBondContact O-N 3.31Å; G223-L226 PolarHBondContact O-N 3.09Å; F224-L226 VanDerWaalsContact C-N 3.3Å; F224-L226 PolarHBondContact O-N 2.95Å
227	V	98.1	Very high	97.9	Very high	32 Å²	32	16.1 Å²	16.1	19%	0.194	9%	0.085	C	C	.	.	H	α-helix	trans	-82.1	-39.6	178	178.6	0	0	0	0	111.8	M121 F123 V126 G223 F224 L225 P229	M121-V227 HydrophobicContact CB-CG2 4.17Å; M121-V227 HydrophobicContact CG-CG2 3.64Å; F123-V227 HydrophobicContact CB-CG1 4.41Å; V126-V227 HydrophobicContact CG2-CG2 3.76Å; G223-V227 VanDerWaalsContact O-CG2 3.32Å; G223-V227 WeakPolarHBondContact O-CG2 3.46Å; G223-V227 PolarHBondContact O-N 2.96Å; G223-V227 VanDerWaalsContact O-N 3.16Å; F224-V227 PolarHBondContact O-N 3.29Å; L225-V227 VanDerWaalsContact C-N 3.35Å; V227-P229 VanDerWaalsContact C-CD 3.48Å; V227-P229 WeakPolarHBondContact O-CD 3.32Å
228	Y	97.1	Very high	97.6	Very high	37 Å²	37	16.2 Å²	16.2	15%	0.145	9%	0.085	C	C	.	.			trans	-128.8	65.8	-174.5	-56	-67.7	0	0	0	111.1	F123 P195 F224 L225 N230 E231 V232	F123-Y228 HydrophobicContact CD2-CE2 4.27Å; P195-Y228 HydrophobicContact CB-CD2 4.35Å; P195-Y228 WeakPolarHBondContact O-CE2 3.45Å; F224-Y228 HydrophobicContact CD1-CD2 4.12Å; F224-Y228 HydrophobicContact CD1-CE2 4.14Å; F224-Y228 HydrophobicContact CE1-CE2 4.49Å; F224-Y228 PolarHBondContact O-N 3.01Å; L225-Y228 CarbonylContact O-C 3.39Å; Y228-N230 PolarHBondContact O-N 2.83Å; Y228-N230 VanDerWaalsContact O-N 3.16Å; Y228-E231 PolarHBondContact O-N 2.78Å; Y228-E231 VanDerWaalsContact O-N 3.17Å; Y228-V232 PolarHBondContact O-N 3.01Å
229	P	95.8	Very high	97.4	Very high	46 Å²	46	16.3 Å²	16.3	30%	0.299	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.8	-172.6	26.5	-36.1	0	0	0	114.2	L154 L225 V227	L154-P229 HydrophobicContact CD1-CB 4.25Å; L154-P229 HydrophobicContact CD2-CB 4.06Å; L225-P229 WeakPolarHBondContact O-CA 3.49Å; L225-P229 WeakPolarHBondContact O-CB 3.47Å; L225-P229 VanDerWaalsContact O-N 3.15Å; V227-P229 VanDerWaalsContact C-CD 3.48Å; V227-P229 WeakPolarHBondContact O-CD 3.32Å
230	N	93.6	Very high	97.3	Very high	124 Å²	124	16.2 Å²	16.2	66%	0.663	9%	0.086	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-14.6	179	-62.5	-36	0	0	0	112.9	Y228 H233	Y228-N230 PolarHBondContact O-N 2.83Å; Y228-N230 VanDerWaalsContact O-N 3.16Å; N230-H233 PolarHBondContact O-CE1 2.86Å; N230-H233 PolarHBondContact O-NE2 3.42Å
231	E	95.6	Very high	96.7	Very high	40 Å²	40	16.3 Å²	16.3	19%	0.187	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-17.2	-172.6	-60	83.1	-175.2	0	0	113.3	P200 Y201 Y228	P200-E231 CarbonylContact C-O 3.43Å; P200-E231 WeakPolarHBondContact CA-O 3.43Å; P200-E231 HydrophobicContact CB-CB 3.99Å; P200-E231 VanDerWaalsContact CB-O 3.26Å; P200-E231 WeakPolarHBondContact CB-O 3.16Å; Y201-E231 PolarHBondContact N-O 2.8Å; Y228-E231 PolarHBondContact O-N 2.78Å; Y228-E231 VanDerWaalsContact O-N 3.17Å
232	V	97.8	Very high	95.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.5	175.9	177	0	0	0	0	108.8	P195 F224 L225 Y228 L234	P195-V232 HydrophobicContact CB-CG2 3.6Å; P195-V232 HydrophobicContact CG-CG2 4.32Å; F224-V232 HydrophobicContact CB-CG1 4.36Å; F224-V232 HydrophobicContact CB-CG2 4.17Å; L225-V232 HydrophobicContact CB-CG1 4.31Å; L225-V232 WeakPolarHBondContact CD1-O 3.32Å; Y228-V232 PolarHBondContact O-N 3.01Å; V232-L234 HydrophobicContact CG1-CD2 4.25Å
233	H	98.3	Very high	94.4	Very high	14 Å²	14	17.7 Å²	17.7	7%	0.065	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.2	-177.5	-49	-73.3	0	0	0	109.6	V164 Y201 V202 F203 N230	V164-H233 VanDerWaalsContact CG2-NE2 3.31Å; V164-H233 WeakPolarHBondContact CG2-NE2 3.36Å; Y201-H233 PolarHBondContact O-CD2 2.84Å; Y201-H233 PolarHBondContact O-N 3.32Å; V202-H233 CarbonylContact C-O 3.54Å; V202-H233 WeakPolarHBondContact CA-O 3.19Å; V202-H233 HydrophobicContact CG2-CB 4.22Å; F203-H233 PolarHBondContact N-O 2.99Å; N230-H233 PolarHBondContact O-CE1 2.86Å; N230-H233 PolarHBondContact O-NE2 3.42Å
234	L	98.8	Very high	93.3	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.016	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.9	177	-52.8	-177.3	0	0	0	108	F203 F207 L221 F222 L225 V232 L276 P277	F203-L234 HydrophobicContact CB-CD2 3.76Å; F203-L234 HydrophobicContact CD2-CD2 3.77Å; F203-L234 HydrophobicContact CG-CD2 4.11Å; F207-L234 HydrophobicContact CE2-CB 4.38Å; F207-L234 HydrophobicContact CZ-CB 4.03Å; F207-L234 HydrophobicContact CZ-CD2 4.4Å; L221-L234 HydrophobicContact CB-CD1 4.13Å; L221-L234 HydrophobicContact CB-CD2 4.12Å; L221-L234 HydrophobicContact CD1-CD2 4.35Å; F222-L234 HydrophobicContact CD1-CD1 3.59Å; F222-L234 HydrophobicContact CE1-CD1 3.75Å; L225-L234 HydrophobicContact CB-CD1 4.38Å; L225-L234 HydrophobicContact CD2-CD1 3.97Å; L225-L234 HydrophobicContact CD2-CG 4.46Å; V232-L234 HydrophobicContact CG1-CD2 4.25Å; L234-L276 HydrophobicContact CB-CD2 4.12Å; L234-P277 WeakPolarHBondContact O-CD 3.3Å
235	N	98.6	Very high	92.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	148.6	169.8	-63.5	-19	0	0	0	109.3	F203 N204 G205 F207 P277 T280 V288	F203-N235 PolarHBondContact O-N 3.21Å; N204-N235 PolarHBondContact OD1-ND2 3.46Å; G205-N235 VanDerWaalsContact CA-O 3.23Å; G205-N235 WeakPolarHBondContact CA-O 3.49Å; G205-N235 PolarHBondContact N-O 2.96Å; G205-N235 VanDerWaalsContact N-O 3.12Å; F207-N235 VanDerWaalsContact CZ-O 3.22Å; F207-N235 WeakPolarHBondContact CZ-O 3.42Å; N235-P277 CarbonylContact C-O 3.51Å; N235-P277 VanDerWaalsContact CA-O 3.31Å; N235-P277 WeakPolarHBondContact CA-O 3.04Å; N235-T280 PolarHBondContact OD1-OG1 3.38Å; N235-V288 PolarHBondContact ND2-O 2.91Å
236	R	98.4	Very high	90.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.008	10%	0.104	C	C	.	.			trans	-69	135.3	172.6	-164.2	177.9	-179.2	178.1	2	110	E240 F273 L276 P277 L278 H290 Y310 V311 L431	R236-E240 HydrophobicContact CG-CB 3.96Å; R236-E240 PolarHBondContact NE-O 3.23Å; R236-E240 VanDerWaalsContact NE-O 3.11Å; R236-E240 PolarHBondContact NH2-O 2.87Å; R236-F273 VanDerWaalsContact CD-O 3.3Å; R236-F273 WeakPolarHBondContact CD-O 3.37Å; R236-F273 PolarHBondContact NE-O 3.41Å; R236-L276 HydrophobicContact CB-CB 3.73Å; R236-L276 HydrophobicContact CB-CD1 4.39Å; R236-L276 HydrophobicContact CG-CB 4.14Å; R236-L276 HydrophobicContact CG-CD1 4.3Å; R236-P277 PolarHBondContact N-O 3.43Å; R236-L278 HydrophobicContact CB-CD2 4.08Å; R236-H290 WeakPolarHBondContact O-CB 3.27Å; R236-Y310 PolarHBondContact NH1-O 3.03Å; R236-V311 PolarHBondContact NH2-O 3.18Å; R236-V311 VanDerWaalsContact NH2-O 3.12Å; R236-L431 HydrophobicContact CB-CD2 4.18Å; R236-L431 HydrophobicContact CG-CD2 4.38Å; R236-L431 WeakPolarHBondContact O-CD2 3.31Å
237	G	97.3	Very high	89.3	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.			trans	-104	178.2	164.3	0	0	0	0	0	112.2	D206 H239 E240 H290	D206-G237 WeakPolarHBondContact OD1-CA 3.43Å; G237-H239 VanDerWaalsContact C-N 3.26Å; G237-H239 PolarHBondContact O-N 3.09Å; G237-E240 VanDerWaalsContact CA-OE2 3.23Å; G237-E240 WeakPolarHBondContact CA-OE2 3.38Å; G237-E240 PolarHBondContact N-OE2 2.99Å; G237-E240 PolarHBondContact O-N 2.78Å; G237-H290 VanDerWaalsContact CA-CG 3.45Å
238	N	93.3	Very high	87.9	Confident	2 Å²	2	20.6 Å²	20.6	1%	0.011	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-22.3	178.2	65.3	-58.8	0	0	0	112.3	D206 E240 D241 V244 H290 L431 W432 H474	D206-N238 PolarHBondContact OD1-N 3.43Å; D206-N238 PolarHBondContact OD1-OD1 2.76Å; D206-N238 PolarHBondContact OD2-OD1 3.03Å; D206-N238 VanDerWaalsContact OD2-OD1 3.06Å; N238-E240 VanDerWaalsContact C-N 3.35Å; N238-D241 WeakPolarHBondContact O-CB 3.48Å; N238-V244 WeakPolarHBondContact O-CG2 3.41Å; N238-H290 PolarHBondContact OD1-NE2 3.06Å; N238-L431 HydrophobicContact CB-CB 4.4Å; N238-W432 HydrophobicContact CB-CD2 3.94Å; N238-W432 VanDerWaalsContact CB-CE2 3.46Å; N238-W432 HydrophobicContact CB-CE3 4.49Å; N238-W432 HydrophobicContact CB-CG 4.38Å; N238-W432 HydrophobicContact CB-CH2 4.27Å; N238-W432 HydrophobicContact CB-CZ2 3.66Å; N238-W432 VanDerWaalsContact ND2-CH2 3.33Å; N238-W432 WeakPolarHBondContact ND2-CH2 3.34Å; N238-H474 PolarHBondContact OD1-CE1 3.02Å; N238-H474 PolarHBondContact OD1-ND1 2.77Å
239	H	93.5	Very high	86.7	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.009	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-10.8	173.7	-80	-92.9	0	0	0	114	H179 D206 V208 D209 G237 D241 V244 N245 Y248	H179-H239 AromaticContact CE1-CD2 3.56Å; H179-H239 AromaticContact CE1-CG 3.9Å; H179-H239 AromaticContact CE1-NE2 3.85Å; D206-H239 HydrophobicContact CB-CB 4.45Å; D206-H239 WeakPolarHBondContact OD1-CB 3.43Å; D206-H239 IonicContact OD1-CD2 3.57Å; D206-H239 IonicContact OD1-CG 2.72Å; D206-H239 PolarHBondContact OD1-N 2.77Å; D206-H239 IonicContact OD2-CD2 3.75Å; D206-H239 PolarHBondContact OD2-CD2 3.46Å; D206-H239 IonicContact OD2-CG 2.85Å; V208-H239 HydrophobicContact CG2-CB 4.42Å; V208-H239 WeakPolarHBondContact CG2-O 3.43Å; D209-H239 HydrophobicContact CB-CB 4.49Å; D209-H239 WeakPolarHBondContact CB-ND1 3.22Å; D209-H239 IonicContact OD2-CE1 3.76Å; D209-H239 IonicContact OD2-CG 2.93Å; D209-H239 IonicContact OD2-ND1 3.78Å; D209-H239 PolarHBondContact OD2-ND1 3.2Å; G237-H239 VanDerWaalsContact C-N 3.26Å; G237-H239 PolarHBondContact O-N 3.09Å; H239-D241 PolarHBondContact O-N 2.91Å; H239-V244 HydrophobicContact CB-CG1 4.46Å; H239-V244 VanDerWaalsContact ND1-CG1 3.31Å; H239-V244 WeakPolarHBondContact ND1-CG1 3.4Å; H239-N245 PolarHBondContact O-ND2 2.79Å; H239-Y248 AromaticContact CE1-CD2 3.67Å; H239-Y248 AromaticContact CE1-CG 3.75Å
240	E	96.4	Very high	86.1	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-81	57.7	164.6	-73.6	74.2	-134.4	0	0	110.5	D206 F207 R236 G237 N238 F273 L276	D206-E240 PolarHBondContact N-OE1 2.94Å; D206-E240 PolarHBondContact N-OE2 2.91Å; F207-E240 HydrophobicContact CD2-CG 4Å; F207-E240 WeakPolarHBondContact CD2-OE1 3.27Å; F207-E240 HydrophobicContact CE2-CG 4.25Å; F207-E240 PolarHBondContact N-OE1 3.41Å; R236-E240 HydrophobicContact CG-CB 3.96Å; R236-E240 PolarHBondContact NE-O 3.23Å; R236-E240 VanDerWaalsContact NE-O 3.11Å; R236-E240 PolarHBondContact NH2-O 2.87Å; G237-E240 VanDerWaalsContact CA-OE2 3.23Å; G237-E240 WeakPolarHBondContact CA-OE2 3.38Å; G237-E240 PolarHBondContact N-OE2 2.99Å; G237-E240 PolarHBondContact O-N 2.78Å; N238-E240 VanDerWaalsContact C-N 3.35Å; E240-F273 HydrophobicContact CB-CB 4.03Å; E240-F273 HydrophobicContact CB-CD1 3.88Å; E240-F273 HydrophobicContact CB-CD2 4.04Å; E240-F273 HydrophobicContact CB-CE1 4.3Å; E240-F273 HydrophobicContact CB-CE2 4.44Å; E240-F273 HydrophobicContact CB-CG 3.73Å; E240-F273 HydrophobicContact CG-CD1 3.78Å; E240-F273 HydrophobicContact CG-CD2 4.48Å; E240-F273 HydrophobicContact CG-CE1 3.78Å; E240-F273 HydrophobicContact CG-CE2 4.48Å; E240-F273 HydrophobicContact CG-CG 4.14Å; E240-F273 HydrophobicContact CG-CZ 4.14Å; E240-F273 WeakPolarHBondContact O-CB 3.26Å; E240-L276 HydrophobicContact CB-CD1 3.95Å; E240-L276 HydrophobicContact CG-CD1 3.72Å
241	D	87.3	Confident	85.3	Confident	2 Å²	2	13.1 Å²	13.1	1%	0.011	7%	0.068	C	C	.	.	S	Bend	trans	-145.9	122.9	179.2	-168.8	-54.5	0	0	0	109.9	N238 H239 I243 V244 N245 S312 V313	N238-D241 WeakPolarHBondContact O-CB 3.48Å; H239-D241 PolarHBondContact O-N 2.91Å; D241-I243 PolarHBondContact O-N 2.94Å; D241-I243 VanDerWaalsContact O-N 3.13Å; D241-I243 WeakPolarHBondContact OD1-CB 3.44Å; D241-I243 PolarHBondContact OD1-N 2.69Å; D241-V244 HydrophobicContact CB-CB 4.22Å; D241-V244 HydrophobicContact CB-CG2 3.95Å; D241-V244 WeakPolarHBondContact O-CB 3.27Å; D241-V244 PolarHBondContact O-N 2.94Å; D241-N245 PolarHBondContact O-N 3.24Å; D241-N245 PolarHBondContact O-ND2 3.33Å; D241-N245 PolarHBondContact O-OD1 2.75Å; D241-N245 VanDerWaalsContact O-OD1 3.13Å; D241-S312 VanDerWaalsContact CG-OG 3.23Å; D241-S312 WeakPolarHBondContact OD1-CB 3.15Å; D241-S312 PolarHBondContact OD1-OG 3.15Å; D241-S312 WeakPolarHBondContact OD2-CA 3.27Å; D241-S312 VanDerWaalsContact OD2-CB 3.26Å; D241-S312 WeakPolarHBondContact OD2-CB 3.24Å; D241-S312 PolarHBondContact OD2-OG 2.93Å; D241-V313 PolarHBondContact OD2-N 2.91Å
242	H	76.7	Confident	84.4	Confident	24 Å²	24	19.4 Å²	19.4	11%	0.111	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-26	-177.4	67.8	-71.7	0	0	0	114.1	I85 L246 Q270 S312	I85-H242 PolarHBondContact O-NE2 3.24Å; H242-L246 WeakPolarHBondContact O-CG 3.42Å; H242-L246 PolarHBondContact O-N 2.75Å; H242-Q270 HydrophobicContact CB-CB 4.24Å; H242-Q270 HydrophobicContact CB-CG 3.98Å; H242-Q270 PolarHBondContact CD2-NE2 3.37Å; H242-Q270 PolarHBondContact CE1-NE2 3.1Å; H242-Q270 PolarHBondContact NE2-NE2 3.07Å; H242-Q270 VanDerWaalsContact NE2-NE2 3.19Å; H242-S312 VanDerWaalsContact CE1-CB 3.42Å; H242-S312 WeakPolarHBondContact CE1-CB 3.32Å
243	I	71.6	Confident	83.9	Confident	4 Å²	4	20.4 Å²	20.4	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-75.4	-36	176.8	-57.2	-170.9	0	0	0	110.8	Q58 Y62 F86 D241 S312 L314	Q58-I243 PolarHBondContact NE2-O 3Å; Y62-I243 HydrophobicContact CD2-CD1 3.72Å; Y62-I243 HydrophobicContact CD2-CG2 4.06Å; Y62-I243 HydrophobicContact CE2-CD1 3.48Å; Y62-I243 VanDerWaalsContact CE2-CD1 3.48Å; F86-I243 HydrophobicContact CE1-CD1 4.45Å; D241-I243 PolarHBondContact O-N 2.94Å; D241-I243 VanDerWaalsContact O-N 3.13Å; D241-I243 WeakPolarHBondContact OD1-CB 3.44Å; D241-I243 PolarHBondContact OD1-N 2.69Å; I243-S312 VanDerWaalsContact CD1-OG 3.27Å; I243-S312 WeakPolarHBondContact CD1-OG 3.4Å; I243-L314 HydrophobicContact CB-CD1 4.21Å; I243-L314 HydrophobicContact CD1-CB 4.43Å; I243-L314 HydrophobicContact CG2-CD1 3.86Å
244	V	75.3	Confident	83.3	Confident	2 Å²	2	19.8 Å²	19.8	1%	0.012	10%	0.097	C	C	.	.	H	α-helix	trans	-69.6	-42.7	175.1	179.7	0	0	0	0	109.6	N238 H239 D241 L246 R247 Y248 L314 W432	N238-V244 WeakPolarHBondContact O-CG2 3.41Å; H239-V244 HydrophobicContact CB-CG1 4.46Å; H239-V244 VanDerWaalsContact ND1-CG1 3.31Å; H239-V244 WeakPolarHBondContact ND1-CG1 3.4Å; D241-V244 HydrophobicContact CB-CB 4.22Å; D241-V244 HydrophobicContact CB-CG2 3.95Å; D241-V244 WeakPolarHBondContact O-CB 3.27Å; D241-V244 PolarHBondContact O-N 2.94Å; V244-L246 PolarHBondContact O-N 3.29Å; V244-L246 VanDerWaalsContact O-N 3.14Å; V244-R247 PolarHBondContact O-N 3.3Å; V244-R247 VanDerWaalsContact O-N 3.07Å; V244-Y248 HydrophobicContact CG1-CD2 3.53Å; V244-Y248 HydrophobicContact CG1-CE2 3.94Å; V244-Y248 WeakPolarHBondContact O-CD2 3.36Å; V244-Y248 PolarHBondContact O-N 3.32Å; V244-L314 HydrophobicContact CG2-CD1 4.06Å; V244-W432 HydrophobicContact CG2-CZ2 4.17Å
245	N	78.3	Confident	82.5	Confident	4 Å²	4	23 Å²	23	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-59.9	-27.8	-178.9	-59.7	153.1	0	0	0	115	D209 H239 D241 R247 G249 F250 T251 F273	D209-N245 WeakPolarHBondContact OD2-CA 3.4Å; D209-N245 PolarHBondContact OD2-ND2 2.91Å; H239-N245 PolarHBondContact O-ND2 2.79Å; D241-N245 PolarHBondContact O-N 3.24Å; D241-N245 PolarHBondContact O-ND2 3.33Å; D241-N245 PolarHBondContact O-OD1 2.75Å; D241-N245 VanDerWaalsContact O-OD1 3.13Å; N245-R247 VanDerWaalsContact C-N 3.28Å; N245-R247 PolarHBondContact O-N 3.13Å; N245-G249 PolarHBondContact O-N 3.48Å; N245-F250 HydrophobicContact CB-CB 4.06Å; N245-F250 HydrophobicContact CB-CD1 4.14Å; N245-F250 PolarHBondContact O-N 3.2Å; N245-T251 VanDerWaalsContact C-OG1 3.31Å; N245-T251 PolarHBondContact O-N 3.4Å; N245-T251 PolarHBondContact O-OG1 3.09Å; N245-F273 WeakPolarHBondContact OD1-CE2 3.24Å
246	L	65.6	Low	81.6	Confident	45 Å²	45	25.4 Å²	25.4	24%	0.236	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-36.9	177.3	-73.2	170.4	0	0	0	111.9	I85 F86 H242 V244 T251	I85-L246 HydrophobicContact CG2-CD1 4.13Å; F86-L246 HydrophobicContact CZ-CD1 4.28Å; H242-L246 WeakPolarHBondContact O-CG 3.42Å; H242-L246 PolarHBondContact O-N 2.75Å; V244-L246 PolarHBondContact O-N 3.29Å; V244-L246 VanDerWaalsContact O-N 3.14Å; L246-T251 HydrophobicContact CD2-CG2 3.95Å; L246-T251 PolarHBondContact N-OG1 3.05Å
247	R	67.6	Low	81.1	Confident	51 Å²	51	27.5 Å²	27.5	19%	0.192	15%	0.148	C	C	.	.	H	α-helix	trans	-89.7	-42.5	-177	177.1	162.2	-179.7	154.1	1	112.8	G54 D57 Q58 V244 N245 G249	G54-R247 PolarHBondContact O-NE 2.79Å; G54-R247 PolarHBondContact O-NH1 3.37Å; G54-R247 PolarHBondContact O-NH2 2.82Å; D57-R247 VanDerWaalsContact C-NH1 3.33Å; Q58-R247 VanDerWaalsContact CA-NH1 3.31Å; V244-R247 PolarHBondContact O-N 3.3Å; V244-R247 VanDerWaalsContact O-N 3.07Å; N245-R247 VanDerWaalsContact C-N 3.28Å; N245-R247 PolarHBondContact O-N 3.13Å; R247-G249 PolarHBondContact O-N 3.4Å
248	Y	68.9	Low	80.6	Confident	31 Å²	31	28.1 Å²	28.1	12%	0.122	15%	0.15	C	C	.	.	H	α-helix	trans	-94.2	8	-166.7	-63.4	-76.3	0	0	0	114.7	G54 E55 R210 H239 V244	G54-Y248 VanDerWaalsContact C-OH 3.24Å; G54-Y248 PolarHBondContact O-OH 3.41Å; E55-Y248 WeakPolarHBondContact CA-OH 3.32Å; E55-Y248 VanDerWaalsContact CG-OH 3.24Å; E55-Y248 WeakPolarHBondContact CG-OH 3.38Å; E55-Y248 PolarHBondContact N-OH 2.96Å; E55-Y248 VanDerWaalsContact N-OH 3.1Å; R210-Y248 PolarHBondContact N-O 3.26Å; H239-Y248 AromaticContact CE1-CD2 3.67Å; H239-Y248 AromaticContact CE1-CG 3.75Å; V244-Y248 HydrophobicContact CG1-CD2 3.53Å; V244-Y248 HydrophobicContact CG1-CE2 3.94Å; V244-Y248 WeakPolarHBondContact O-CD2 3.36Å; V244-Y248 PolarHBondContact O-N 3.32Å
249	G	71.1	Confident	79.9	Confident	27 Å²	27	38.9 Å²	38.9	28%	0.278	19%	0.191	S	C	.	.	S	Bend	trans	108.5	-13.4	158.4	0	0	0	0	0	115.4	D209 N245 R247 T251 K252 E253	D209-G249 PolarHBondContact OD1-N 2.88Å; N245-G249 PolarHBondContact O-N 3.48Å; R247-G249 PolarHBondContact O-N 3.4Å; G249-T251 PolarHBondContact O-N 2.96Å; G249-K252 WeakPolarHBondContact O-CB 3.3Å; G249-K252 PolarHBondContact O-N 3.44Å; G249-E253 PolarHBondContact O-N 2.98Å
250	F	84.4	Confident	79.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-40.2	-178.2	-178	-129	0	0	0	112.7	V208 D209 L215 N245 K252 E253 V254 L269 F273	V208-F250 HydrophobicContact CB-CB 4.32Å; V208-F250 HydrophobicContact CB-CD1 4.08Å; V208-F250 HydrophobicContact CB-CD2 3.96Å; V208-F250 HydrophobicContact CB-CE1 4.33Å; V208-F250 HydrophobicContact CB-CE2 4.21Å; V208-F250 HydrophobicContact CB-CG 3.87Å; V208-F250 HydrophobicContact CB-CZ 4.38Å; V208-F250 HydrophobicContact CG1-CD1 4.31Å; V208-F250 HydrophobicContact CG1-CD2 4.12Å; V208-F250 HydrophobicContact CG1-CE1 4.05Å; V208-F250 HydrophobicContact CG1-CE2 3.83Å; V208-F250 HydrophobicContact CG1-CG 4.33Å; V208-F250 HydrophobicContact CG1-CZ 3.79Å; V208-F250 HydrophobicContact CG2-CB 4.48Å; V208-F250 HydrophobicContact CG2-CD1 4Å; V208-F250 HydrophobicContact CG2-CE1 4.38Å; V208-F250 HydrophobicContact CG2-CG 4.18Å; D209-F250 WeakPolarHBondContact OD1-CB 3.17Å; D209-F250 PolarHBondContact OD1-N 3.49Å; L215-F250 HydrophobicContact CB-CE2 4.13Å; L215-F250 HydrophobicContact CD1-CZ 4.49Å; N245-F250 HydrophobicContact CB-CB 4.06Å; N245-F250 HydrophobicContact CB-CD1 4.14Å; N245-F250 PolarHBondContact O-N 3.2Å; F250-K252 VanDerWaalsContact C-N 3.31Å; F250-K252 PolarHBondContact O-N 3.39Å; F250-E253 WeakPolarHBondContact O-CB 3.45Å; F250-E253 PolarHBondContact O-N 3.15Å; F250-V254 HydrophobicContact CD2-CG2 4.07Å; F250-V254 HydrophobicContact CE1-CG2 4.42Å; F250-V254 HydrophobicContact CE2-CG2 3.71Å; F250-V254 HydrophobicContact CZ-CG2 3.9Å; F250-V254 WeakPolarHBondContact O-CG2 3.37Å; F250-V254 PolarHBondContact O-N 3.43Å; F250-L269 HydrophobicContact CE1-CD1 3.82Å; F250-L269 HydrophobicContact CZ-CD1 3.71Å; F250-F273 HydrophobicContact CD1-CE2 4.43Å; F250-F273 HydrophobicContact CD1-CZ 4.49Å; F250-F273 HydrophobicContact CE1-CE2 4Å; F250-F273 AromaticContact CE1-CZ 3.76Å; F250-F273 HydrophobicContact CE1-CZ 3.76Å; F250-F273 HydrophobicContact CZ-CZ 4.46Å
251	T	77.6	Confident	79.2	Confident	22 Å²	22	47.4 Å²	47.4	14%	0.135	24%	0.239	C	C	.	.	H	α-helix	trans	-57.8	-46.7	173.9	-58.1	0	0	0	0	111	N245 L246 G249 E253 V254 L255 L266	N245-T251 VanDerWaalsContact C-OG1 3.31Å; N245-T251 PolarHBondContact O-N 3.4Å; N245-T251 PolarHBondContact O-OG1 3.09Å; L246-T251 HydrophobicContact CD2-CG2 3.95Å; L246-T251 PolarHBondContact N-OG1 3.05Å; G249-T251 PolarHBondContact O-N 2.96Å; T251-E253 VanDerWaalsContact C-N 3.34Å; T251-E253 PolarHBondContact O-N 3.36Å; T251-V254 PolarHBondContact O-N 2.72Å; T251-L255 HydrophobicContact CG2-CD1 3.95Å; T251-L255 HydrophobicContact CG2-CG 4.46Å; T251-L255 WeakPolarHBondContact O-CG 3.38Å; T251-L255 PolarHBondContact O-N 3.28Å; T251-L266 HydrophobicContact CG2-CD1 3.69Å
252	K	76.6	Confident	78.9	Confident	173 Å²	173	47.3 Å²	47.3	75%	0.752	24%	0.238	S	C	*	.	H	α-helix	trans	-63.6	-39.4	178.4	-177.4	174.6	-178.7	172.4	0	111.7	G249 F250 G256	G249-K252 WeakPolarHBondContact O-CB 3.3Å; G249-K252 PolarHBondContact O-N 3.44Å; F250-K252 VanDerWaalsContact C-N 3.31Å; F250-K252 PolarHBondContact O-N 3.39Å; K252-G256 PolarHBondContact O-N 2.99Å
253	E	86.6	Confident	79	Confident	21 Å²	21	52.3 Å²	52.3	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-51.1	175.9	-170.6	-167.1	132.9	0	0	111.2	K212 S214 L215 G249 F250 T251 G256 K257	K212-E253 VanDerWaalsContact C-OE2 3.31Å; K212-E253 VanDerWaalsContact O-CD 3.28Å; S214-E253 WeakPolarHBondContact CB-OE2 3.25Å; S214-E253 PolarHBondContact N-OE1 3.35Å; S214-E253 VanDerWaalsContact N-OE1 3.15Å; S214-E253 PolarHBondContact N-OE2 3.41Å; S214-E253 PolarHBondContact OG-OE2 3.48Å; L215-E253 WeakPolarHBondContact CB-OE1 3.48Å; L215-E253 PolarHBondContact N-OE1 3.07Å; G249-E253 PolarHBondContact O-N 2.98Å; F250-E253 WeakPolarHBondContact O-CB 3.45Å; F250-E253 PolarHBondContact O-N 3.15Å; T251-E253 VanDerWaalsContact C-N 3.34Å; T251-E253 PolarHBondContact O-N 3.36Å; E253-G256 PolarHBondContact O-N 3.5Å; E253-K257 HydrophobicContact CG-CD 4.08Å; E253-K257 WeakPolarHBondContact O-CB 3.11Å; E253-K257 WeakPolarHBondContact O-CG 3.49Å; E253-K257 PolarHBondContact O-N 2.99Å; E253-K257 IonicContact OE1-NZ 3.94Å; E253-K257 PolarHBondContact OE1-NZ 2.81Å
254	V	85.9	Confident	79.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.4	-45.1	-177.6	176.8	0	0	0	0	111.7	L215 F250 T251 G256 K257 Y258 I265 L266 L269	L215-V254 HydrophobicContact CD2-CG2 4.46Å; F250-V254 HydrophobicContact CD2-CG2 4.07Å; F250-V254 HydrophobicContact CE1-CG2 4.42Å; F250-V254 HydrophobicContact CE2-CG2 3.71Å; F250-V254 HydrophobicContact CZ-CG2 3.9Å; F250-V254 WeakPolarHBondContact O-CG2 3.37Å; F250-V254 PolarHBondContact O-N 3.43Å; T251-V254 PolarHBondContact O-N 2.72Å; V254-G256 VanDerWaalsContact C-N 3.31Å; V254-G256 PolarHBondContact O-N 2.72Å; V254-K257 PolarHBondContact O-N 3.34Å; V254-Y258 PolarHBondContact O-N 3.49Å; V254-I265 HydrophobicContact CG1-CB 4.03Å; V254-I265 HydrophobicContact CG1-CG2 3.67Å; V254-L266 HydrophobicContact CB-CD1 4.49Å; V254-L266 HydrophobicContact CB-CD2 3.85Å; V254-L266 HydrophobicContact CB-CG 4.04Å; V254-L266 HydrophobicContact CG1-CD1 4.47Å; V254-L266 HydrophobicContact CG1-CD2 4.07Å; V254-L266 HydrophobicContact CG1-CG 3.81Å; V254-L266 HydrophobicContact CG2-CD2 3.96Å; V254-L269 HydrophobicContact CG2-CD1 4.4Å
255	L	80.9	Confident	80.4	Confident	70 Å²	70	54 Å²	54	37%	0.366	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-35.7	177.6	-67.6	178	0	0	0	112.1	T251 K263 L266	T251-L255 HydrophobicContact CG2-CD1 3.95Å; T251-L255 HydrophobicContact CG2-CG 4.46Å; T251-L255 WeakPolarHBondContact O-CG 3.38Å; T251-L255 PolarHBondContact O-N 3.28Å; L255-K263 HydrophobicContact CD2-CG 4.09Å; L255-L266 HydrophobicContact CD1-CD1 4.31Å; L255-L266 HydrophobicContact CD2-CD1 3.79Å; L255-L266 HydrophobicContact CG-CD1 3.77Å
256	G	79.8	Confident	80.6	Confident	51 Å²	51	55.3 Å²	55.3	53%	0.526	27%	0.273	S	S	.	.	H	α-helix	trans	-66.4	-45.9	175.9	0	0	0	0	0	112.8	K252 E253 V254	K252-G256 PolarHBondContact O-N 2.99Å; E253-G256 PolarHBondContact O-N 3.5Å; V254-G256 VanDerWaalsContact C-N 3.31Å; V254-G256 PolarHBondContact O-N 2.72Å
257	K	87.9	Confident	81.5	Confident	46 Å²	46	55 Å²	55	20%	0.2	27%	0.27	C	S	.	.	H	α-helix	trans	-72.7	-38.4	179.8	-70	176.9	-176.6	172.4	0	112.4	Q138 K212 E216 E253 V254	Q138-K257 PolarHBondContact NE2-O 3.35Å; Q138-K257 PolarHBondContact OE1-O 2.98Å; K212-K257 PolarHBondContact O-NZ 3.22Å; E216-K257 WeakPolarHBondContact OE1-CE 3.22Å; E216-K257 IonicContact OE1-NZ 2.73Å; E216-K257 PolarHBondContact OE1-NZ 2.72Å; E216-K257 IonicContact OE2-NZ 3.07Å; E216-K257 PolarHBondContact OE2-NZ 3.26Å; E253-K257 HydrophobicContact CG-CD 4.08Å; E253-K257 WeakPolarHBondContact O-CB 3.11Å; E253-K257 WeakPolarHBondContact O-CG 3.49Å; E253-K257 PolarHBondContact O-N 2.99Å; E253-K257 IonicContact OE1-NZ 3.94Å; E253-K257 PolarHBondContact OE1-NZ 2.81Å; V254-K257 PolarHBondContact O-N 3.34Å
258	Y	87.2	Confident	82.6	Confident	13 Å²	13	52.7 Å²	52.7	5%	0.051	26%	0.261	C	S	.	.			trans	-123.5	76	-174.4	-60.9	-87.5	0	0	0	111.6	Q138 L139 A141 V144 L215 V254 V260 H261 G262 I265	Q138-Y258 HydrophobicContact CG-CE1 4.37Å; L139-Y258 WeakPolarHBondContact O-CE1 3.48Å; L139-Y258 PolarHBondContact O-OH 3.05Å; A141-Y258 HydrophobicContact CB-CD1 3.81Å; A141-Y258 HydrophobicContact CB-CE1 4.15Å; V144-Y258 HydrophobicContact CG2-CE1 3.88Å; V144-Y258 HydrophobicContact CG2-CE2 4.5Å; V144-Y258 VanDerWaalsContact CG2-OH 3.3Å; V144-Y258 WeakPolarHBondContact CG2-OH 3.41Å; L215-Y258 HydrophobicContact CD2-CD2 3.94Å; L215-Y258 HydrophobicContact CD2-CE2 3.3Å; V254-Y258 PolarHBondContact O-N 3.49Å; Y258-V260 VanDerWaalsContact C-N 3.34Å; Y258-V260 PolarHBondContact O-N 3.45Å; Y258-H261 PolarHBondContact O-N 3.07Å; Y258-G262 WeakPolarHBondContact O-CA 2.96Å; Y258-G262 PolarHBondContact O-N 3.49Å; Y258-I265 HydrophobicContact CD1-CD1 3.95Å; Y258-I265 HydrophobicContact CD2-CD1 4.01Å; Y258-I265 HydrophobicContact CG-CD1 3.62Å
259	R	79.6	Confident	83.8	Confident	229 Å²	229	51.3 Å²	51.3	86%	0.864	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-42.5	-175.6	-62.6	-177.3	-178.5	-173.5	-1.4	114
260	V	84.8	Confident	84.6	Confident	125 Å²	125	51.5 Å²	51.5	76%	0.758	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-45.8	-176.9	-176.2	0	0	0	0	111.8	Y258	Y258-V260 VanDerWaalsContact C-N 3.34Å; Y258-V260 PolarHBondContact O-N 3.45Å
261	H	88.8	Confident	84.8	Confident	55 Å²	55	53.4 Å²	53.4	26%	0.255	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	1.6	-170.8	-59	-61.6	0	0	0	114.4	A141 Y258 K263 K264 I265	A141-H261 HydrophobicContact CB-CB 4.01Å; A141-H261 VanDerWaalsContact CB-CD2 3.47Å; A141-H261 WeakPolarHBondContact CB-CD2 3.5Å; Y258-H261 PolarHBondContact O-N 3.07Å; H261-K263 VanDerWaalsContact C-N 3.35Å; H261-K263 PolarHBondContact O-N 3.07Å; H261-K264 WeakPolarHBondContact O-CB 3.44Å; H261-K264 PolarHBondContact O-N 3.1Å; H261-K264 VanDerWaalsContact O-N 3.08Å; H261-I265 HydrophobicContact CB-CD1 4.37Å; H261-I265 WeakPolarHBondContact O-CG1 3.4Å; H261-I265 PolarHBondContact O-N 2.86Å
262	G	82.1	Confident	85.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-39.7	-172.7	0	0	0	0	0	113.1	Y258 K264 I265 L266	Y258-G262 WeakPolarHBondContact O-CA 2.96Å; Y258-G262 PolarHBondContact O-N 3.49Å; G262-K264 VanDerWaalsContact C-N 3.33Å; G262-K264 PolarHBondContact O-N 3.26Å; G262-I265 PolarHBondContact O-N 3.17Å; G262-L266 WeakPolarHBondContact O-CG 3.48Å; G262-L266 PolarHBondContact O-N 3.23Å
263	K	78.4	Confident	86.6	Confident	129 Å²	129	44.1 Å²	44.1	56%	0.561	22%	0.216	S	C	*	.	H	α-helix	trans	-59.7	-43.8	174.2	-65.4	-177.5	-179.1	178.1	0	111.9	L81 L255 H261 L266 K267	L81-K263 HydrophobicContact CD1-CD 4.43Å; L255-K263 HydrophobicContact CD2-CG 4.09Å; H261-K263 VanDerWaalsContact C-N 3.35Å; H261-K263 PolarHBondContact O-N 3.07Å; K263-L266 PolarHBondContact O-N 3.25Å; K263-K267 WeakPolarHBondContact O-CB 3.43Å; K263-K267 PolarHBondContact O-N 3.39Å
264	K	84.4	Confident	86.9	Confident	43 Å²	43	43.3 Å²	43.3	19%	0.187	21%	0.213	C	C	.	.	H	α-helix	trans	-65.6	-41.1	178.3	-176.8	172.3	172.4	162.7	0	111.2	Y100 F101 C102 L145 H261 G262 L268	Y100-K264 HydrophobicContact CE1-CG 4.47Å; Y100-K264 WeakPolarHBondContact O-CE 3.32Å; Y100-K264 PolarHBondContact O-NZ 2.91Å; F101-K264 HydrophobicContact CD1-CG 4.12Å; C102-K264 PolarHBondContact O-NZ 2.94Å; L145-K264 HydrophobicContact CD1-CD 4.07Å; L145-K264 HydrophobicContact CD1-CG 4.4Å; L145-K264 HydrophobicContact CD2-CG 4.08Å; H261-K264 WeakPolarHBondContact O-CB 3.44Å; H261-K264 PolarHBondContact O-N 3.1Å; H261-K264 VanDerWaalsContact O-N 3.08Å; G262-K264 VanDerWaalsContact C-N 3.33Å; G262-K264 PolarHBondContact O-N 3.26Å; K264-L268 PolarHBondContact O-N 3.22Å; K264-L268 VanDerWaalsContact O-N 3.16Å
265	I	90.8	Very high	87.3	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-49.8	175.1	-69	164.7	0	0	0	110.8	V144 L145 L148 V254 Y258 H261 G262 K267 L268 L269	V144-I265 HydrophobicContact CB-CD1 4.46Å; V144-I265 HydrophobicContact CG1-CD1 3.93Å; V144-I265 HydrophobicContact CG1-CG1 4.12Å; V144-I265 HydrophobicContact CG1-CG2 4.2Å; L145-I265 HydrophobicContact CD2-CG1 3.78Å; L145-I265 HydrophobicContact CG-CG1 4.02Å; L148-I265 HydrophobicContact CD1-CG2 3.86Å; V254-I265 HydrophobicContact CG1-CB 4.03Å; V254-I265 HydrophobicContact CG1-CG2 3.67Å; Y258-I265 HydrophobicContact CD1-CD1 3.95Å; Y258-I265 HydrophobicContact CD2-CD1 4.01Å; Y258-I265 HydrophobicContact CG-CD1 3.62Å; H261-I265 HydrophobicContact CB-CD1 4.37Å; H261-I265 WeakPolarHBondContact O-CG1 3.4Å; H261-I265 PolarHBondContact O-N 2.86Å; G262-I265 PolarHBondContact O-N 3.17Å; I265-K267 VanDerWaalsContact C-N 3.34Å; I265-K267 PolarHBondContact O-N 2.96Å; I265-L268 PolarHBondContact O-N 3.07Å; I265-L269 HydrophobicContact CG2-CD1 3.7Å; I265-L269 HydrophobicContact CG2-CG 4.34Å; I265-L269 WeakPolarHBondContact O-CG 3.11Å; I265-L269 PolarHBondContact O-N 3.1Å
266	L	84.6	Confident	88.1	Confident	31 Å²	31	41.7 Å²	41.7	16%	0.162	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-41.7	179	-74.6	170	0	0	0	112.7	T251 V254 L255 G262 K263 L268 L269 Q270	T251-L266 HydrophobicContact CG2-CD1 3.69Å; V254-L266 HydrophobicContact CB-CD1 4.49Å; V254-L266 HydrophobicContact CB-CD2 3.85Å; V254-L266 HydrophobicContact CB-CG 4.04Å; V254-L266 HydrophobicContact CG1-CD1 4.47Å; V254-L266 HydrophobicContact CG1-CD2 4.07Å; V254-L266 HydrophobicContact CG1-CG 3.81Å; V254-L266 HydrophobicContact CG2-CD2 3.96Å; L255-L266 HydrophobicContact CD1-CD1 4.31Å; L255-L266 HydrophobicContact CD2-CD1 3.79Å; L255-L266 HydrophobicContact CG-CD1 3.77Å; G262-L266 WeakPolarHBondContact O-CG 3.48Å; G262-L266 PolarHBondContact O-N 3.23Å; K263-L266 PolarHBondContact O-N 3.25Å; L266-L268 VanDerWaalsContact C-N 3.3Å; L266-L268 PolarHBondContact O-N 3.38Å; L266-L269 PolarHBondContact O-N 3.5Å; L266-Q270 WeakPolarHBondContact O-CB 3.16Å; L266-Q270 PolarHBondContact O-N 3.27Å
267	K	83.2	Confident	89	Confident	39 Å²	39	39.3 Å²	39.3	17%	0.17	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-36.4	177.7	-164.2	169.9	-171.6	-177.7	0	112.1	W97 Y100 F101 K263 I265	W97-K267 HydrophobicContact CH2-CD 4.47Å; W97-K267 VanDerWaalsContact CH2-CE 3.44Å; W97-K267 HydrophobicContact CZ3-CD 4.15Å; W97-K267 HydrophobicContact CZ3-CG 4.49Å; Y100-K267 HydrophobicContact CE1-CD 3.84Å; F101-K267 HydrophobicContact CE1-CB 4.19Å; F101-K267 HydrophobicContact CE1-CG 4.42Å; F101-K267 HydrophobicContact CZ-CB 4.38Å; F101-K267 HydrophobicContact CZ-CG 4.19Å; K263-K267 WeakPolarHBondContact O-CB 3.43Å; K263-K267 PolarHBondContact O-N 3.39Å; I265-K267 VanDerWaalsContact C-N 3.34Å; I265-K267 PolarHBondContact O-N 2.96Å
268	L	91.8	Very high	89.5	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-71	-42.2	174.3	-176.9	51.8	0	0	0	111.7	F101 L145 L148 W152 K264 I265 L266 Q270 K271 I272	F101-L268 HydrophobicContact CB-CD2 4.37Å; F101-L268 HydrophobicContact CD1-CB 3.8Å; F101-L268 HydrophobicContact CD1-CD1 4.34Å; F101-L268 HydrophobicContact CD1-CD2 4.27Å; F101-L268 HydrophobicContact CD1-CG 4.36Å; F101-L268 HydrophobicContact CD2-CD1 3.82Å; F101-L268 HydrophobicContact CE1-CB 3.61Å; F101-L268 HydrophobicContact CE1-CD1 4.44Å; F101-L268 HydrophobicContact CE1-CG 4.49Å; F101-L268 HydrophobicContact CE2-CD1 3.92Å; F101-L268 HydrophobicContact CG-CB 4.37Å; F101-L268 HydrophobicContact CG-CD1 4.05Å; F101-L268 HydrophobicContact CG-CD2 4.27Å; F101-L268 HydrophobicContact CG-CG 4.46Å; F101-L268 HydrophobicContact CZ-CB 4.01Å; F101-L268 HydrophobicContact CZ-CD1 4.24Å; L145-L268 HydrophobicContact CD2-CD2 4.17Å; L148-L268 HydrophobicContact CB-CD2 3.46Å; L148-L268 VanDerWaalsContact CB-CD2 3.46Å; L148-L268 HydrophobicContact CB-CG 4.02Å; L148-L268 HydrophobicContact CD1-CD2 4.38Å; W152-L268 HydrophobicContact CB-CD1 4.31Å; W152-L268 HydrophobicContact CD2-CD1 4.1Å; W152-L268 HydrophobicContact CE3-CD1 3.97Å; W152-L268 HydrophobicContact CG-CD1 4.24Å; K264-L268 PolarHBondContact O-N 3.22Å; K264-L268 VanDerWaalsContact O-N 3.16Å; I265-L268 PolarHBondContact O-N 3.07Å; L266-L268 VanDerWaalsContact C-N 3.3Å; L266-L268 PolarHBondContact O-N 3.38Å; L268-Q270 PolarHBondContact O-N 3.22Å; L268-K271 PolarHBondContact O-N 3.4Å; L268-K271 VanDerWaalsContact O-N 3.13Å; L268-I272 HydrophobicContact CD1-CD1 4.23Å; L268-I272 HydrophobicContact CD1-CG1 4.37Å; L268-I272 HydrophobicContact CG-CD1 3.86Å; L268-I272 HydrophobicContact CG-CG1 4.47Å; L268-I272 WeakPolarHBondContact O-CG1 3.36Å; L268-I272 PolarHBondContact O-N 3.5Å
269	L	94.3	Very high	90	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-43	176.5	-74.3	167.9	0	0	0	112.5	L148 L215 L218 F250 V254 I265 L266 K271 I272 F273	L148-L269 HydrophobicContact CD1-CD2 4.08Å; L148-L269 HydrophobicContact CD1-CG 4.02Å; L148-L269 HydrophobicContact CD2-CD2 3.59Å; L148-L269 HydrophobicContact CD2-CG 4.42Å; L148-L269 HydrophobicContact CG-CD2 4.5Å; L215-L269 HydrophobicContact CD1-CD1 4.48Å; L218-L269 HydrophobicContact CD2-CD2 3.19Å; F250-L269 HydrophobicContact CE1-CD1 3.82Å; F250-L269 HydrophobicContact CZ-CD1 3.71Å; V254-L269 HydrophobicContact CG2-CD1 4.4Å; I265-L269 HydrophobicContact CG2-CD1 3.7Å; I265-L269 HydrophobicContact CG2-CG 4.34Å; I265-L269 WeakPolarHBondContact O-CG 3.11Å; I265-L269 PolarHBondContact O-N 3.1Å; L266-L269 PolarHBondContact O-N 3.5Å; L269-K271 PolarHBondContact O-N 3.13Å; L269-I272 PolarHBondContact O-N 3.34Å; L269-I272 VanDerWaalsContact O-N 3.13Å; L269-F273 HydrophobicContact CD2-CE1 4.3Å; L269-F273 HydrophobicContact CD2-CZ 4.38Å; L269-F273 WeakPolarHBondContact O-CB 3.35Å; L269-F273 VanDerWaalsContact O-CG 3.26Å; L269-F273 WeakPolarHBondContact O-CG 3.3Å; L269-F273 PolarHBondContact O-N 3.29Å
270	Q	87.9	Confident	90.9	Very high	32 Å²	32	25.7 Å²	25.7	15%	0.15	12%	0.124	C	C	.	.	H	α-helix	trans	-53.5	-42.6	173.9	178.5	-177.1	9.9	0	0	111.8	H242 L266 L268 V311	H242-Q270 HydrophobicContact CB-CB 4.24Å; H242-Q270 HydrophobicContact CB-CG 3.98Å; H242-Q270 PolarHBondContact CD2-NE2 3.37Å; H242-Q270 PolarHBondContact CE1-NE2 3.1Å; H242-Q270 PolarHBondContact NE2-NE2 3.07Å; H242-Q270 VanDerWaalsContact NE2-NE2 3.19Å; L266-Q270 WeakPolarHBondContact O-CB 3.16Å; L266-Q270 PolarHBondContact O-N 3.27Å; L268-Q270 PolarHBondContact O-N 3.22Å; Q270-V311 HydrophobicContact CG-CG1 3.48Å; Q270-V311 VanDerWaalsContact CG-CG1 3.48Å
271	K	88.1	Confident	91.6	Very high	39 Å²	39	20.1 Å²	20.1	17%	0.17	9%	0.091	C	C	.	.	H	α-helix	trans	-68.9	-50.1	175.6	-57.6	-168.9	86	165.8	0	110.6	W97 F101 W152 L268 L269 F273 S274 W275	W97-K271 HydrophobicContact CD2-CD 4.42Å; W97-K271 HydrophobicContact CE3-CD 4.43Å; F101-K271 HydrophobicContact CE2-CD 3.93Å; F101-K271 HydrophobicContact CZ-CD 4.24Å; W152-K271 HydrophobicContact CZ2-CD 4.38Å; L268-K271 PolarHBondContact O-N 3.4Å; L268-K271 VanDerWaalsContact O-N 3.13Å; L269-K271 PolarHBondContact O-N 3.13Å; K271-F273 VanDerWaalsContact C-N 3.28Å; K271-F273 PolarHBondContact O-N 3.45Å; K271-S274 WeakPolarHBondContact O-CB 3.31Å; K271-S274 PolarHBondContact O-N 3.33Å; K271-S274 VanDerWaalsContact O-N 3.08Å; K271-S274 PolarHBondContact O-OG 3Å; K271-W275 PolarHBondContact O-N 3.12Å
272	I	95.3	Very high	92	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-52.8	-45.8	-179.8	-73.8	168.8	0	0	0	111.7	L148 W152 L155 F222 L268 L269 S274 W275 L276	L148-I272 HydrophobicContact CB-CD1 3.7Å; L148-I272 HydrophobicContact CD2-CD1 3.83Å; L148-I272 HydrophobicContact CG-CD1 4.28Å; L148-I272 VanDerWaalsContact O-CD1 3.27Å; L148-I272 WeakPolarHBondContact O-CD1 3.35Å; W152-I272 HydrophobicContact CB-CD1 4.21Å; W152-I272 HydrophobicContact CB-CG1 3.71Å; W152-I272 HydrophobicContact CG-CG1 4.13Å; L155-I272 HydrophobicContact CD1-CG2 3.75Å; F222-I272 HydrophobicContact CE1-CG2 4.42Å; F222-I272 HydrophobicContact CE2-CG2 3.84Å; F222-I272 HydrophobicContact CZ-CG2 3.49Å; F222-I272 VanDerWaalsContact CZ-CG2 3.49Å; L268-I272 HydrophobicContact CD1-CD1 4.23Å; L268-I272 HydrophobicContact CD1-CG1 4.37Å; L268-I272 HydrophobicContact CG-CD1 3.86Å; L268-I272 HydrophobicContact CG-CG1 4.47Å; L268-I272 WeakPolarHBondContact O-CG1 3.36Å; L268-I272 PolarHBondContact O-N 3.5Å; L269-I272 PolarHBondContact O-N 3.34Å; L269-I272 VanDerWaalsContact O-N 3.13Å; I272-S274 VanDerWaalsContact C-N 3.29Å; I272-S274 PolarHBondContact O-N 3.3Å; I272-W275 WeakPolarHBondContact O-CA 3.07Å; I272-W275 PolarHBondContact O-N 3.35Å; I272-L276 PolarHBondContact O-N 3.2Å
273	F	96.1	Very high	92.5	Very high	1 Å²	1	19 Å²	19	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-60.3	-37.4	-180	-70.1	-12.7	0	0	0	112.9	V208 L218 R236 E240 N245 F250 L269 K271 W275 L276	V208-F273 HydrophobicContact CG1-CZ 4.4Å; V208-F273 HydrophobicContact CG2-CZ 4.33Å; L218-F273 HydrophobicContact CD1-CE1 3.86Å; L218-F273 HydrophobicContact CD1-CZ 4.35Å; L218-F273 HydrophobicContact CD2-CE1 4.31Å; R236-F273 VanDerWaalsContact CD-O 3.3Å; R236-F273 WeakPolarHBondContact CD-O 3.37Å; R236-F273 PolarHBondContact NE-O 3.41Å; E240-F273 HydrophobicContact CB-CB 4.03Å; E240-F273 HydrophobicContact CB-CD1 3.88Å; E240-F273 HydrophobicContact CB-CD2 4.04Å; E240-F273 HydrophobicContact CB-CE1 4.3Å; E240-F273 HydrophobicContact CB-CE2 4.44Å; E240-F273 HydrophobicContact CB-CG 3.73Å; E240-F273 HydrophobicContact CG-CD1 3.78Å; E240-F273 HydrophobicContact CG-CD2 4.48Å; E240-F273 HydrophobicContact CG-CE1 3.78Å; E240-F273 HydrophobicContact CG-CE2 4.48Å; E240-F273 HydrophobicContact CG-CG 4.14Å; E240-F273 HydrophobicContact CG-CZ 4.14Å; E240-F273 WeakPolarHBondContact O-CB 3.26Å; N245-F273 WeakPolarHBondContact OD1-CE2 3.24Å; F250-F273 HydrophobicContact CD1-CE2 4.43Å; F250-F273 HydrophobicContact CD1-CZ 4.49Å; F250-F273 HydrophobicContact CE1-CE2 4Å; F250-F273 AromaticContact CE1-CZ 3.76Å; F250-F273 HydrophobicContact CE1-CZ 3.76Å; F250-F273 HydrophobicContact CZ-CZ 4.46Å; L269-F273 HydrophobicContact CD2-CE1 4.3Å; L269-F273 HydrophobicContact CD2-CZ 4.38Å; L269-F273 WeakPolarHBondContact O-CB 3.35Å; L269-F273 VanDerWaalsContact O-CG 3.26Å; L269-F273 WeakPolarHBondContact O-CG 3.3Å; L269-F273 PolarHBondContact O-N 3.29Å; K271-F273 VanDerWaalsContact C-N 3.28Å; K271-F273 PolarHBondContact O-N 3.45Å; F273-W275 PolarHBondContact O-N 2.89Å; F273-L276 HydrophobicContact CD1-CD1 4.05Å; F273-L276 PolarHBondContact O-N 3.22Å
274	S	92.6	Very high	93.3	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.028	9%	0.089	C	C	.	.	H	α-helix	trans	-67.2	-19.2	174.3	76.1	0	0	0	0	114.3	K271 I272	K271-S274 WeakPolarHBondContact O-CB 3.31Å; K271-S274 PolarHBondContact O-N 3.33Å; K271-S274 VanDerWaalsContact O-N 3.08Å; K271-S274 PolarHBondContact O-OG 3Å; I272-S274 VanDerWaalsContact C-N 3.29Å; I272-S274 PolarHBondContact O-N 3.3Å
275	W	95.4	Very high	94	Very high	35 Å²	35	19.5 Å²	19.5	13%	0.133	9%	0.09	C	C	.	.	H	α-helix	trans	-96.6	-5.5	179	-74.3	103.4	0	0	0	113.7	W152 L155 R156 K271 I272 F273 R307 H308	W152-W275 AromaticContact CD1-CD1 3.65Å; W152-W275 AromaticContact NE1-CD1 3.34Å; W152-W275 VanDerWaalsContact NE1-CD1 3.34Å; W152-W275 AromaticContact NE1-NE1 3.4Å; L155-W275 HydrophobicContact CB-CB 3.8Å; L155-W275 HydrophobicContact CD1-CB 4.39Å; R156-W275 HydrophobicContact CB-CE3 4.28Å; R156-W275 HydrophobicContact CB-CZ3 4.27Å; R156-W275 HydrophobicContact CG-CD2 3.75Å; R156-W275 HydrophobicContact CG-CE3 3.94Å; R156-W275 HydrophobicContact CG-CG 4.29Å; R156-W275 HydrophobicContact CG-CH2 4.13Å; R156-W275 HydrophobicContact CG-CZ2 3.95Å; R156-W275 HydrophobicContact CG-CZ3 4.12Å; K271-W275 PolarHBondContact O-N 3.12Å; I272-W275 WeakPolarHBondContact O-CA 3.07Å; I272-W275 PolarHBondContact O-N 3.35Å; F273-W275 PolarHBondContact O-N 2.89Å; W275-R307 VanDerWaalsContact O-CZ 3.28Å; W275-R307 PolarHBondContact O-NE 3.12Å; W275-R307 PolarHBondContact O-NH2 3.36Å; W275-H308 HydrophobicContact CD2-CB 3.66Å; W275-H308 AromaticContact CE2-CG 3.69Å; W275-H308 HydrophobicContact CE3-CB 4Å; W275-H308 HydrophobicContact CG-CB 4.27Å; W275-H308 HydrophobicContact CH2-CB 3.83Å; W275-H308 AromaticContact CH2-CE1 3.88Å; W275-H308 AromaticContact CH2-CG 3.48Å; W275-H308 VanDerWaalsContact CH2-CG 3.48Å; W275-H308 AromaticContact CH2-ND1 3.33Å; W275-H308 VanDerWaalsContact CH2-ND1 3.33Å; W275-H308 WeakPolarHBondContact CH2-ND1 3.42Å; W275-H308 HydrophobicContact CZ2-CB 3.45Å; W275-H308 VanDerWaalsContact CZ2-CB 3.45Å; W275-H308 AromaticContact CZ2-CD2 3.52Å; W275-H308 AromaticContact CZ2-CG 3.22Å; W275-H308 AromaticContact CZ2-ND1 3.58Å; W275-H308 HydrophobicContact CZ3-CB 4.09Å; W275-H308 AromaticContact CZ3-ND1 3.98Å
276	L	97.6	Very high	94.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-63	135.5	175.5	-73.9	170.8	0	0	0	110.9	L155 F207 F222 L234 R236 E240 I272 F273 R307	L155-L276 HydrophobicContact CD1-CD2 3.93Å; L155-L276 HydrophobicContact CD1-CG 4.39Å; L155-L276 HydrophobicContact CD2-CD2 4.13Å; F207-L276 HydrophobicContact CE2-CD1 4.27Å; F222-L276 HydrophobicContact CE1-CD2 4.48Å; L234-L276 HydrophobicContact CB-CD2 4.12Å; R236-L276 HydrophobicContact CB-CB 3.73Å; R236-L276 HydrophobicContact CB-CD1 4.39Å; R236-L276 HydrophobicContact CG-CB 4.14Å; R236-L276 HydrophobicContact CG-CD1 4.3Å; E240-L276 HydrophobicContact CB-CD1 3.95Å; E240-L276 HydrophobicContact CG-CD1 3.72Å; I272-L276 PolarHBondContact O-N 3.2Å; F273-L276 HydrophobicContact CD1-CD1 4.05Å; F273-L276 PolarHBondContact O-N 3.22Å; L276-R307 VanDerWaalsContact O-CD 3.3Å; L276-R307 WeakPolarHBondContact O-CD 3.34Å; L276-R307 PolarHBondContact O-NE 2.92Å
277	P	98	Very high	95	Very high	2 Å²	2	18 Å²	18	1%	0.013	8%	0.083	C	C	.	.			trans	-52.7	151.1	168.4	-27.2	35.1	0	0	0	112	L158 N162 L234 N235 R236	L158-P277 HydrophobicContact CB-CG 4.29Å; L158-P277 HydrophobicContact CD1-CG 4.22Å; N162-P277 WeakPolarHBondContact ND2-CB 3.47Å; N162-P277 WeakPolarHBondContact ND2-CG 2.86Å; L234-P277 WeakPolarHBondContact O-CD 3.3Å; N235-P277 CarbonylContact C-O 3.51Å; N235-P277 VanDerWaalsContact CA-O 3.31Å; N235-P277 WeakPolarHBondContact CA-O 3.04Å; R236-P277 PolarHBondContact N-O 3.43Å
278	L	98.2	Very high	95.7	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.075	C	C	.	.	S	Bend	trans	-100.2	-21.8	-175	-63.5	170.8	0	0	0	112.9	N160 R236 V302 M305 R307 I427 L430	N160-L278 PolarHBondContact O-N 3.19Å; R236-L278 HydrophobicContact CB-CD2 4.08Å; L278-V302 HydrophobicContact CD1-CG1 4.43Å; L278-M305 HydrophobicContact CD1-CE 2.99Å; L278-M305 HydrophobicContact CG-CE 4.5Å; L278-R307 HydrophobicContact CD1-CB 4.38Å; L278-I427 HydrophobicContact CD1-CG1 3.98Å; L278-I427 HydrophobicContact CD2-CG2 4.36Å; L278-L430 HydrophobicContact CB-CD1 4Å
279	A	98.5	Very high	96	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	160.5	-179	0	0	0	0	0	111.7	N160 I161 N162 L287 V288 V289	N160-A279 PolarHBondContact O-N 3.16Å; I161-A279 WeakPolarHBondContact CA-O 3.46Å; I161-A279 HydrophobicContact CG1-CB 4.24Å; I161-A279 HydrophobicContact CG2-CB 4.24Å; N162-A279 PolarHBondContact N-O 3.05Å; A279-L287 HydrophobicContact CB-CD1 4.03Å; A279-V288 WeakPolarHBondContact CA-O 3.48Å; A279-V289 HydrophobicContact CB-CG1 3.78Å
280	T	98.6	Very high	96.3	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.5	167.6	-65.6	0	0	0	0	109	N162 V164 V202 N235 I282 V288	N162-T280 HydrophobicContact CB-CG2 4.24Å; N162-T280 CarbonylContact O-C 3.55Å; N162-T280 WeakPolarHBondContact O-CA 3.47Å; V164-T280 HydrophobicContact CG2-CG2 3.67Å; V202-T280 HydrophobicContact CG2-CG2 4.03Å; N235-T280 PolarHBondContact OD1-OG1 3.38Å; T280-I282 HydrophobicContact CG2-CG1 4.25Å; T280-V288 PolarHBondContact N-O 3.28Å; T280-V288 PolarHBondContact O-N 2.94Å
281	V	98.3	Very high	96.7	Very high	9 Å²	9	14.5 Å²	14.5	6%	0.055	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.5	176.6	174.8	0	0	0	0	109.3	I161 N162 H163 V164 V286 L287 L467	I161-V281 HydrophobicContact CG2-CB 4.32Å; I161-V281 HydrophobicContact CG2-CG2 3.64Å; N162-V281 PolarHBondContact O-N 3.37Å; H163-V281 WeakPolarHBondContact CA-O 3.38Å; V164-V281 PolarHBondContact N-O 2.99Å; V281-V286 CarbonylContact C-O 3.59Å; V281-V286 WeakPolarHBondContact CA-O 3.35Å; V281-L287 HydrophobicContact CG2-CD1 3.8Å; V281-L467 HydrophobicContact CG1-CD2 4.45Å
282	I	97.2	Very high	97	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.7	-178	-54.8	169.4	0	0	0	109.4	V164 V166 I172 I174 T280 H284 K285 V286 V288 L515	V164-I282 WeakPolarHBondContact O-CA 3.42Å; V166-I282 HydrophobicContact CG2-CG2 3.38Å; I172-I282 HydrophobicContact CD1-CD1 4.21Å; I172-I282 HydrophobicContact CD1-CG1 4.46Å; I172-I282 HydrophobicContact CG2-CD1 4.15Å; I172-I282 HydrophobicContact CG2-CG2 4.36Å; I174-I282 HydrophobicContact CD1-CD1 3.62Å; I174-I282 HydrophobicContact CG1-CD1 4.22Å; T280-I282 HydrophobicContact CG2-CG1 4.25Å; I282-H284 PolarHBondContact O-N 2.83Å; I282-K285 PolarHBondContact O-N 2.82Å; I282-V286 HydrophobicContact CB-CB 4.23Å; I282-V286 PolarHBondContact N-O 3.16Å; I282-V286 PolarHBondContact O-N 3.16Å; I282-V288 HydrophobicContact CD1-CG2 3.89Å; I282-V288 HydrophobicContact CG1-CG2 4.4Å; I282-L515 HydrophobicContact CG2-CD2 4.29Å
283	N	94.3	Very high	97.1	Very high	31 Å²	31	12.7 Å²	12.7	17%	0.166	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	30.5	-178.7	-70.8	-1	0	0	0	114.2	V164 S165 V166 K285 L515	V164-N283 PolarHBondContact O-N 3.48Å; S165-N283 VanDerWaalsContact CA-OD1 3.31Å; S165-N283 WeakPolarHBondContact CA-OD1 3.26Å; V166-N283 PolarHBondContact N-OD1 3.06Å; N283-K285 WeakPolarHBondContact O-CG 3.41Å; N283-K285 PolarHBondContact O-N 3.18Å; N283-L515 HydrophobicContact CB-CD1 4.18Å; N283-L515 HydrophobicContact CB-CD2 4.02Å
284	H	95.1	Very high	97.1	Very high	133 Å²	133	12.7 Å²	12.7	62%	0.616	6%	0.059	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	17.4	-174.8	-51.3	-77.5	0	0	0	114.9	H163 I282	H163-H284 AromaticContact ND1-ND1 3.93Å; I282-H284 PolarHBondContact O-N 2.83Å
285	K	97.2	Very high	97.1	Very high	49 Å²	49	16.5 Å²	16.5	21%	0.213	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-28.6	-172.6	-69.5	-55.7	178.6	-170.1	0	114.2	I282 N283 N466 Q468 L469 L515	I282-K285 PolarHBondContact O-N 2.82Å; N283-K285 WeakPolarHBondContact O-CG 3.41Å; N283-K285 PolarHBondContact O-N 3.18Å; K285-N466 WeakPolarHBondContact CD-O 3.44Å; K285-N466 PolarHBondContact NZ-ND2 3.35Å; K285-N466 PolarHBondContact NZ-O 3.37Å; K285-N466 PolarHBondContact NZ-OD1 2.95Å; K285-Q468 HydrophobicContact CB-CB 4.48Å; K285-Q468 HydrophobicContact CB-CG 4.37Å; K285-Q468 HydrophobicContact CD-CG 4.02Å; K285-Q468 PolarHBondContact O-N 3.21Å; K285-L469 PolarHBondContact O-N 2.92Å; K285-L515 HydrophobicContact CB-CD1 3.59Å; K285-L515 HydrophobicContact CG-CD1 4.08Å
286	V	98.3	Very high	97	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.8	179.9	-175.6	0	0	0	0	108.9	V281 I282 V288 L469 I471 M511 L515	V281-V286 CarbonylContact C-O 3.59Å; V281-V286 WeakPolarHBondContact CA-O 3.35Å; I282-V286 HydrophobicContact CB-CB 4.23Å; I282-V286 PolarHBondContact N-O 3.16Å; I282-V286 PolarHBondContact O-N 3.16Å; V286-V288 HydrophobicContact CG1-CG2 4.44Å; V286-L469 WeakPolarHBondContact CA-O 3.24Å; V286-L469 HydrophobicContact CG1-CB 4.23Å; V286-L469 HydrophobicContact CG1-CD2 4.17Å; V286-L469 HydrophobicContact CG1-CG 4.3Å; V286-L469 HydrophobicContact CG2-CB 4.25Å; V286-I471 HydrophobicContact CG1-CD1 3.54Å; V286-I471 HydrophobicContact CG1-CG1 3.75Å; V286-M511 HydrophobicContact CG1-CE 4.45Å; V286-M511 HydrophobicContact CG2-CE 4.41Å; V286-M511 HydrophobicContact CG2-SD 4.02Å; V286-L515 HydrophobicContact CG2-CB 4.29Å; V286-L515 HydrophobicContact CG2-CD1 4.32Å; V286-L515 HydrophobicContact CG2-CD2 4.23Å
287	L	98.7	Very high	96.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.7	174.3	174.1	64.3	0	0	0	109.1	A279 V281 V289 L299 L467 L469 L470 I471	A279-L287 HydrophobicContact CB-CD1 4.03Å; V281-L287 HydrophobicContact CG2-CD1 3.8Å; L287-V289 HydrophobicContact CD1-CG1 3.78Å; L287-V289 HydrophobicContact CD2-CG1 4.16Å; L287-V289 HydrophobicContact CG-CG1 3.82Å; L287-L299 HydrophobicContact CD1-CD1 4.38Å; L287-L299 HydrophobicContact CD1-CD2 4.32Å; L287-L299 HydrophobicContact CD2-CD1 4.08Å; L287-L299 HydrophobicContact CD2-CD2 4.01Å; L287-L467 HydrophobicContact CB-CD1 3.7Å; L287-L467 HydrophobicContact CB-CD2 4.36Å; L287-L467 HydrophobicContact CD2-CD1 4Å; L287-L467 HydrophobicContact CG-CD1 4.42Å; L287-L469 PolarHBondContact N-O 2.8Å; L287-L470 HydrophobicContact CB-CD1 4.11Å; L287-L470 HydrophobicContact CD2-CD1 3.82Å; L287-L470 HydrophobicContact CG-CD1 3.83Å; L287-L470 CarbonylContact O-C 3.57Å; L287-L470 WeakPolarHBondContact O-CA 3.38Å; L287-I471 PolarHBondContact O-N 3.47Å
288	V	98.8	Very high	96.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.9	176.7	-169.1	0	0	0	0	108.7	I174 V202 N204 N235 A279 T280 I282 V286 I471	I174-V288 HydrophobicContact CD1-CG2 4.27Å; I174-V288 HydrophobicContact CG2-CG1 4.1Å; V202-V288 HydrophobicContact CG1-CG1 4.12Å; N204-V288 HydrophobicContact CB-CG1 4.11Å; N235-V288 PolarHBondContact ND2-O 2.91Å; A279-V288 WeakPolarHBondContact CA-O 3.48Å; T280-V288 PolarHBondContact N-O 3.28Å; T280-V288 PolarHBondContact O-N 2.94Å; I282-V288 HydrophobicContact CD1-CG2 3.89Å; I282-V288 HydrophobicContact CG1-CG2 4.4Å; V286-V288 HydrophobicContact CG1-CG2 4.44Å; V288-I471 VanDerWaalsContact CA-O 3.32Å; V288-I471 WeakPolarHBondContact CA-O 3.49Å; V288-I471 HydrophobicContact CG1-CB 4.41Å; V288-I471 HydrophobicContact CG1-CG2 4.43Å; V288-I471 HydrophobicContact CG2-CB 4.24Å
289	V	98.6	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.9	-179.9	-60.4	0	0	0	0	108.8	N204 A279 L287 L430 L470 I471 R472	N204-V289 VanDerWaalsContact ND2-C 3.3Å; N204-V289 PolarHBondContact ND2-O 3.5Å; N204-V289 VanDerWaalsContact OD1-C 3.27Å; A279-V289 HydrophobicContact CB-CG1 3.78Å; L287-V289 HydrophobicContact CD1-CG1 3.78Å; L287-V289 HydrophobicContact CD2-CG1 4.16Å; L287-V289 HydrophobicContact CG-CG1 3.82Å; V289-L430 HydrophobicContact CB-CD2 4.26Å; V289-L430 HydrophobicContact CG1-CD2 3.8Å; V289-L470 HydrophobicContact CG2-CD1 3.71Å; V289-I471 PolarHBondContact N-O 2.96Å; V289-I471 VanDerWaalsContact N-O 3.09Å; V289-R472 HydrophobicContact CG2-CB 4.42Å; V289-R472 WeakPolarHBondContact O-CA 3.42Å; V289-R472 WeakPolarHBondContact O-CB 3.44Å
290	H	98.6	Very high	96.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-71.2	-59.3	-176.4	175.7	76.2	0	0	0	112.3	D177 N204 D206 R236 G237 N238 L431 R472 S473 H474	D177-H290 IonicContact OD1-CE1 3.99Å; D177-H290 PolarHBondContact OD1-CE1 2.87Å; D177-H290 VanDerWaalsContact OD1-CE1 3.27Å; D177-H290 IonicContact OD1-ND1 2.99Å; D177-H290 IonicContact OD2-CE1 3.42Å; N204-H290 PolarHBondContact O-ND1 3.26Å; N204-H290 PolarHBondContact OD1-N 3.16Å; D206-H290 IonicContact OD1-CE1 3.16Å; D206-H290 PolarHBondContact OD1-CE1 3.41Å; D206-H290 IonicContact OD1-NE2 2.74Å; D206-H290 PolarHBondContact OD1-NE2 2.93Å; D206-H290 IonicContact OD2-CE1 2.71Å; D206-H290 PolarHBondContact OD2-CE1 3.35Å; D206-H290 VanDerWaalsContact OD2-CE1 3.27Å; D206-H290 IonicContact OD2-NE2 3.99Å; D206-H290 PolarHBondContact OD2-NE2 3.22Å; R236-H290 WeakPolarHBondContact O-CB 3.27Å; G237-H290 VanDerWaalsContact CA-CG 3.45Å; N238-H290 PolarHBondContact OD1-NE2 3.06Å; H290-L431 HydrophobicContact CB-CD2 4.41Å; H290-L431 PolarHBondContact CD2-O 3.04Å; H290-R472 PolarHBondContact O-NE 3.5Å; H290-R472 PolarHBondContact O-NH2 3.12Å; H290-S473 PolarHBondContact O-N 2.97Å; H290-H474 AromaticContact CD2-ND1 3.97Å; H290-H474 WeakPolarHBondContact NE2-CB 3.35Å; H290-H474 AromaticContact NE2-CG 3.6Å; H290-H474 AromaticContact NE2-ND1 3.2Å; H290-H474 PolarHBondContact NE2-ND1 3.07Å
291	G	96.7	Very high	96.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-71.5	-106.8	175.3	0	0	0	0	0	111.6	L430 N433 R472	G291-L430 WeakPolarHBondContact CA-O 3.49Å; G291-L430 PolarHBondContact N-O 3.23Å; G291-N433 CarbonylContact C-O 3.25Å; G291-R472 VanDerWaalsContact O-CB 3.3Å; G291-R472 WeakPolarHBondContact O-CB 3.23Å; G291-R472 PolarHBondContact O-NE 3.37Å; G291-R472 PolarHBondContact O-NH2 2.91Å
292	G	95.5	Very high	96.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.			trans	-167.2	-143.6	179.9	0	0	0	0	0	113.4	N429 L430	G292-N429 CarbonylContact C-O 3.1Å; G292-N429 PolarHBondContact N-O 3.22Å; G292-L430 WeakPolarHBondContact O-CA 3.46Å
293	I	96.8	Very high	96.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.153	C	C	.	.			trans	-128.4	171.7	-177.2	58.6	169.8	0	0	0	110.2	T297 N433 W453 V457 V461 L470	I293-T297 WeakPolarHBondContact CA-OG1 3.38Å; I293-T297 HydrophobicContact CB-CG2 4.34Å; I293-T297 HydrophobicContact CG2-CG2 4.09Å; I293-N433 PolarHBondContact O-ND2 2.77Å; I293-W453 HydrophobicContact CG1-CD2 4.01Å; I293-W453 HydrophobicContact CG1-CG 4.09Å; I293-W453 HydrophobicContact CG1-CZ2 4.26Å; I293-V457 HydrophobicContact CD1-CG1 4.44Å; I293-V461 HydrophobicContact CB-CG1 4.5Å; I293-V461 HydrophobicContact CD1-CB 3.85Å; I293-V461 HydrophobicContact CD1-CG1 4.05Å; I293-V461 HydrophobicContact CD1-CG2 4.13Å; I293-V461 HydrophobicContact CG2-CG1 4.33Å; I293-L470 HydrophobicContact CD1-CD2 4.08Å; I293-L470 HydrophobicContact CG1-CD2 4Å; I293-L470 HydrophobicContact CG2-CD2 4.04Å
294	S	95.6	Very high	96.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.			trans	-140.2	172	169.2	91.9	0	0	0	0	109.9	S296 T297 N429 C451 V457 V461	S294-S296 PolarHBondContact O-N 3.07Å; S294-S296 PolarHBondContact OG-N 3.25Å; S294-S296 VanDerWaalsContact OG-N 3.1Å; S294-S296 PolarHBondContact OG-OG 3.46Å; S294-T297 PolarHBondContact N-OG1 2.96Å; S294-T297 WeakPolarHBondContact O-CB 3.46Å; S294-T297 PolarHBondContact O-N 3.44Å; S294-T297 PolarHBondContact O-OG1 3.18Å; S294-N429 PolarHBondContact OG-ND2 3.49Å; S294-C451 VanDerWaalsContact CB-SG 3.52Å; S294-V457 VanDerWaalsContact C-CG1 3.4Å; S294-V461 WeakPolarHBondContact O-CG2 3.26Å
295	D	92.9	Very high	95.9	Very high	85 Å²	85	29.5 Å²	29.5	46%	0.455	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-33.1	169	56.7	-10.5	0	0	0	114	C441 V457	D295-C441 HydrophobicContact CB-CB 4.15Å; D295-V457 HydrophobicContact CB-CG2 4.41Å
296	S	92.8	Very high	95.5	Very high	43 Å²	43	29.7 Å²	29.7	30%	0.301	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	6.5	177.2	64.2	0	0	0	0	114.9	S294 D298 K425 Q426	S294-S296 PolarHBondContact O-N 3.07Å; S294-S296 PolarHBondContact OG-N 3.25Å; S294-S296 VanDerWaalsContact OG-N 3.1Å; S294-S296 PolarHBondContact OG-OG 3.46Å; S296-D298 PolarHBondContact O-N 2.59Å; S296-K425 PolarHBondContact OG-NZ 2.93Å; S296-Q426 PolarHBondContact O-NE2 3.36Å
297	T	95.4	Very high	95	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	16%	0.156	C	C	.	.			trans	-63.2	130	-176.7	-72.2	0	0	0	0	112	I293 S294 L299 V461	I293-T297 WeakPolarHBondContact CA-OG1 3.38Å; I293-T297 HydrophobicContact CB-CG2 4.34Å; I293-T297 HydrophobicContact CG2-CG2 4.09Å; S294-T297 PolarHBondContact N-OG1 2.96Å; S294-T297 WeakPolarHBondContact O-CB 3.46Å; S294-T297 PolarHBondContact O-N 3.44Å; S294-T297 PolarHBondContact O-OG1 3.18Å; T297-L299 HydrophobicContact CG2-CD2 4.29Å; T297-V461 HydrophobicContact CG2-CG1 4.1Å
298	D	95.3	Very high	94.3	Very high	38 Å²	38	33.3 Å²	33.3	20%	0.203	17%	0.17	C	C	.	.			trans	-136.7	105.2	177.8	-165.5	-57.7	0	0	0	111.4	S296 D300 M301 V302 K464	S296-D298 PolarHBondContact O-N 2.59Å; D298-D300 VanDerWaalsContact C-N 3.27Å; D298-D300 PolarHBondContact O-N 3Å; D298-D300 WeakPolarHBondContact OD1-CA 3.31Å; D298-D300 WeakPolarHBondContact OD1-CB 3.29Å; D298-D300 PolarHBondContact OD1-N 2.9Å; D298-M301 HydrophobicContact CB-CB 4.02Å; D298-M301 PolarHBondContact O-N 3.36Å; D298-M301 PolarHBondContact OD1-N 2.6Å; D298-V302 VanDerWaalsContact O-CG2 3.31Å; D298-V302 WeakPolarHBondContact O-CG2 3.4Å; D298-V302 PolarHBondContact O-N 3.22Å; D298-K464 IonicContact OD2-NZ 3.16Å; D298-K464 PolarHBondContact OD2-NZ 3.17Å
299	L	96	Very high	93.5	Very high	14 Å²	14	39.8 Å²	39.8	7%	0.073	19%	0.194	C	C	.	.	H	α-helix	trans	-68.3	-25.6	-177.8	-59.3	-178.6	0	0	0	113.2	I161 L287 T297 V302 A303 H465 L467	I161-L299 HydrophobicContact CD1-CB 4.22Å; I161-L299 WeakPolarHBondContact CD1-O 3.25Å; L287-L299 HydrophobicContact CD1-CD1 4.38Å; L287-L299 HydrophobicContact CD1-CD2 4.32Å; L287-L299 HydrophobicContact CD2-CD1 4.08Å; L287-L299 HydrophobicContact CD2-CD2 4.01Å; T297-L299 HydrophobicContact CG2-CD2 4.29Å; L299-V302 PolarHBondContact O-N 3.28Å; L299-A303 WeakPolarHBondContact O-CB 3.49Å; L299-A303 PolarHBondContact O-N 3.38Å; L299-H465 HydrophobicContact CD1-CB 3.93Å; L299-H465 PolarHBondContact N-CE1 2.89Å; L299-H465 PolarHBondContact N-NE2 2.86Å; L299-L467 HydrophobicContact CD1-CD1 3.93Å
300	D	95.3	Very high	92.7	Very high	88 Å²	88	40 Å²	40	47%	0.471	20%	0.195	S	C	.	.	H	α-helix	trans	-74.1	-37.4	178.9	-63.6	-47.2	0	0	0	110.5	D298 A303 R304	D298-D300 VanDerWaalsContact C-N 3.27Å; D298-D300 PolarHBondContact O-N 3Å; D298-D300 WeakPolarHBondContact OD1-CA 3.31Å; D298-D300 WeakPolarHBondContact OD1-CB 3.29Å; D298-D300 PolarHBondContact OD1-N 2.9Å; D300-A303 PolarHBondContact O-N 3.49Å; D300-R304 PolarHBondContact O-N 2.93Å; D300-R304 PolarHBondContact O-NH1 3.26Å
301	M	94.8	Very high	91.5	Very high	56 Å²	56	41 Å²	41	28%	0.276	20%	0.201	S	C	.	.	H	α-helix	trans	-63.1	-48.1	169.2	-177.2	178.9	-74.2	0	0	110.9	D298 A303 R304 M305 H422 Q426	D298-M301 HydrophobicContact CB-CB 4.02Å; D298-M301 PolarHBondContact O-N 3.36Å; D298-M301 PolarHBondContact OD1-N 2.6Å; M301-A303 PolarHBondContact O-N 2.95Å; M301-R304 PolarHBondContact O-N 2.97Å; M301-R304 VanDerWaalsContact O-N 3.08Å; M301-M305 PolarHBondContact O-N 3.01Å; M301-H422 HydrophobicContact CE-CB 4.28Å; M301-H422 HydrophobicContact SD-CB 4.16Å; M301-Q426 HydrophobicContact CG-CG 4.33Å; M301-Q426 HydrophobicContact SD-CG 3.76Å
302	V	95.9	Very high	90.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.5	-38.7	177.4	171.5	0	0	0	0	111.3	N160 I161 L278 D298 L299 R304 M305 Q426 L430	N160-V302 VanDerWaalsContact CB-O 3.24Å; N160-V302 WeakPolarHBondContact CB-O 3.41Å; N160-V302 PolarHBondContact ND2-O 2.84Å; I161-V302 HydrophobicContact CD1-CB 4.27Å; I161-V302 HydrophobicContact CD1-CG1 3.93Å; I161-V302 HydrophobicContact CG1-CG1 3.95Å; L278-V302 HydrophobicContact CD1-CG1 4.43Å; D298-V302 VanDerWaalsContact O-CG2 3.31Å; D298-V302 WeakPolarHBondContact O-CG2 3.4Å; D298-V302 PolarHBondContact O-N 3.22Å; L299-V302 PolarHBondContact O-N 3.28Å; V302-R304 VanDerWaalsContact C-N 3.31Å; V302-R304 PolarHBondContact O-N 3.39Å; V302-M305 HydrophobicContact CB-CE 4.41Å; V302-M305 HydrophobicContact CG1-CE 4.06Å; V302-M305 HydrophobicContact CG2-CE 4.47Å; V302-Q426 HydrophobicContact CG2-CB 3.81Å; V302-Q426 HydrophobicContact CG2-CG 4.19Å; V302-L430 HydrophobicContact CB-CD1 4.45Å; V302-L430 HydrophobicContact CG1-CD1 3.7Å; V302-L430 HydrophobicContact CG2-CD1 3.83Å
303	A	95.8	Very high	89.6	Confident	51 Å²	51	41.3 Å²	41.3	42%	0.421	20%	0.204	S	C	.	.	H	α-helix	trans	-65.8	-31.1	179	0	0	0	0	0	113.5	I161 L299 D300 M301	I161-A303 HydrophobicContact CD1-CB 4.15Å; L299-A303 WeakPolarHBondContact O-CB 3.49Å; L299-A303 PolarHBondContact O-N 3.38Å; D300-A303 PolarHBondContact O-N 3.49Å; M301-A303 PolarHBondContact O-N 2.95Å
304	R	93.8	Very high	88.2	Confident	186 Å²	186	42.2 Å²	42.2	70%	0.702	21%	0.208	S	C	*	.	H	α-helix	trans	-95.4	-23.9	-173.7	-69.4	-171.3	-63.1	-86.8	-1.9	115	D300 M301 V302	D300-R304 PolarHBondContact O-N 2.93Å; D300-R304 PolarHBondContact O-NH1 3.26Å; M301-R304 PolarHBondContact O-N 2.97Å; M301-R304 VanDerWaalsContact O-N 3.08Å; V302-R304 VanDerWaalsContact C-N 3.31Å; V302-R304 PolarHBondContact O-N 3.39Å
305	M	91.7	Very high	86.8	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.03	22%	0.222	C	C	.	.	S	Bend	trans	-67.3	158	-171.9	70.8	-175.2	-179.2	0	0	113.3	N160 L278 M301 V302 R307 E423 I427	N160-M305 PolarHBondContact ND2-O 3.48Å; L278-M305 HydrophobicContact CD1-CE 2.99Å; L278-M305 HydrophobicContact CG-CE 4.5Å; M301-M305 PolarHBondContact O-N 3.01Å; V302-M305 HydrophobicContact CB-CE 4.41Å; V302-M305 HydrophobicContact CG1-CE 4.06Å; V302-M305 HydrophobicContact CG2-CE 4.47Å; M305-R307 PolarHBondContact O-N 3.26Å; M305-E423 HydrophobicContact CB-CB 4.41Å; M305-E423 HydrophobicContact CB-CG 3.92Å; M305-E423 WeakPolarHBondContact CB-OE1 3.1Å; M305-E423 HydrophobicContact SD-CB 4.37Å; M305-I427 HydrophobicContact CE-CD1 3.8Å; M305-I427 HydrophobicContact CE-CG1 3.29Å; M305-I427 HydrophobicContact SD-CD1 4.06Å; M305-I427 HydrophobicContact SD-CG1 3.84Å
306	D	88.4	Confident	85.2	Confident	52 Å²	52	44.8 Å²	44.8	28%	0.278	22%	0.22	S	C	.	.			trans	-91.2	84.4	180	-170.5	12.7	0	0	0	112.1	H308 R309	D306-H308 VanDerWaalsContact C-N 3.28Å; D306-H308 PolarHBondContact O-N 3.15Å; D306-H308 VanDerWaalsContact O-N 3.17Å; D306-H308 IonicContact OD1-CE1 3.52Å; D306-H308 PolarHBondContact OD1-CE1 3.4Å; D306-H308 IonicContact OD1-CG 3.37Å; D306-H308 IonicContact OD1-ND1 3.43Å; D306-H308 PolarHBondContact OD1-ND1 2.92Å; D306-H308 IonicContact OD2-CE1 3.69Å; D306-H308 PolarHBondContact OD2-CE1 3.09Å; D306-H308 IonicContact OD2-ND1 3.43Å; D306-R309 HydrophobicContact CB-CG 4.14Å; D306-R309 WeakPolarHBondContact O-CB 3.16Å; D306-R309 PolarHBondContact O-N 3.41Å; D306-R309 WeakPolarHBondContact OD2-CG 3.41Å; D306-R309 IonicContact OD2-CZ 2.65Å; D306-R309 IonicContact OD2-NE 3.34Å; D306-R309 PolarHBondContact OD2-NE 3.33Å; D306-R309 IonicContact OD2-NH2 3.3Å
307	R	88.3	Confident	83.2	Confident	15 Å²	15	45.1 Å²	45.1	6%	0.057	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-59	-31.1	-168.7	67.1	175.6	-179.5	-70.6	0.9	115	L155 L158 N160 W275 L276 L278 M305 R309 Y310	L155-R307 PolarHBondContact O-NH2 2.98Å; L158-R307 PolarHBondContact O-NH1 3.21Å; L158-R307 PolarHBondContact O-NH2 3.37Å; N160-R307 WeakPolarHBondContact OD1-CD 3.09Å; N160-R307 VanDerWaalsContact OD1-CG 3.27Å; N160-R307 WeakPolarHBondContact OD1-CG 3.38Å; N160-R307 PolarHBondContact OD1-NH1 3.46Å; W275-R307 VanDerWaalsContact O-CZ 3.28Å; W275-R307 PolarHBondContact O-NE 3.12Å; W275-R307 PolarHBondContact O-NH2 3.36Å; L276-R307 VanDerWaalsContact O-CD 3.3Å; L276-R307 WeakPolarHBondContact O-CD 3.34Å; L276-R307 PolarHBondContact O-NE 2.92Å; L278-R307 HydrophobicContact CD1-CB 4.38Å; M305-R307 PolarHBondContact O-N 3.26Å; R307-R309 PolarHBondContact O-N 2.99Å; R307-Y310 PolarHBondContact O-N 3.43Å; R307-Y310 VanDerWaalsContact O-N 3.08Å
308	H	83.9	Confident	81	Confident	63 Å²	63	50.1 Å²	50.1	29%	0.292	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-72.8	-13.3	-175.2	81.1	-82.1	0	0	0	113.7	W275 D306 Y310	W275-H308 HydrophobicContact CD2-CB 3.66Å; W275-H308 AromaticContact CE2-CG 3.69Å; W275-H308 HydrophobicContact CE3-CB 4Å; W275-H308 HydrophobicContact CG-CB 4.27Å; W275-H308 HydrophobicContact CH2-CB 3.83Å; W275-H308 AromaticContact CH2-CE1 3.88Å; W275-H308 AromaticContact CH2-CG 3.48Å; W275-H308 VanDerWaalsContact CH2-CG 3.48Å; W275-H308 AromaticContact CH2-ND1 3.33Å; W275-H308 VanDerWaalsContact CH2-ND1 3.33Å; W275-H308 WeakPolarHBondContact CH2-ND1 3.42Å; W275-H308 HydrophobicContact CZ2-CB 3.45Å; W275-H308 VanDerWaalsContact CZ2-CB 3.45Å; W275-H308 AromaticContact CZ2-CD2 3.52Å; W275-H308 AromaticContact CZ2-CG 3.22Å; W275-H308 AromaticContact CZ2-ND1 3.58Å; W275-H308 HydrophobicContact CZ3-CB 4.09Å; W275-H308 AromaticContact CZ3-ND1 3.98Å; D306-H308 VanDerWaalsContact C-N 3.28Å; D306-H308 PolarHBondContact O-N 3.15Å; D306-H308 VanDerWaalsContact O-N 3.17Å; D306-H308 IonicContact OD1-CE1 3.52Å; D306-H308 PolarHBondContact OD1-CE1 3.4Å; D306-H308 IonicContact OD1-CG 3.37Å; D306-H308 IonicContact OD1-ND1 3.43Å; D306-H308 PolarHBondContact OD1-ND1 2.92Å; D306-H308 IonicContact OD2-CE1 3.69Å; D306-H308 PolarHBondContact OD2-CE1 3.09Å; D306-H308 IonicContact OD2-ND1 3.43Å; H308-Y310 PolarHBondContact O-N 3.48Å
309	R	82.1	Confident	78.3	Confident	135 Å²	135	51 Å²	51	51%	0.509	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-64.4	-25.7	170.4	-63.6	-176.8	178.1	-159	-5.5	111.9	D306 R307 V311	D306-R309 HydrophobicContact CB-CG 4.14Å; D306-R309 WeakPolarHBondContact O-CB 3.16Å; D306-R309 PolarHBondContact O-N 3.41Å; D306-R309 WeakPolarHBondContact OD2-CG 3.41Å; D306-R309 IonicContact OD2-CZ 2.65Å; D306-R309 IonicContact OD2-NE 3.34Å; D306-R309 PolarHBondContact OD2-NE 3.33Å; D306-R309 IonicContact OD2-NH2 3.3Å; R307-R309 PolarHBondContact O-N 2.99Å; R309-V311 PolarHBondContact O-N 3.25Å
310	Y	81	Confident	75.4	Confident	5 Å²	5	57.4 Å²	57.4	2%	0.02	29%	0.288	C	S	.	.			trans	-98.4	68.2	-176.4	-55.1	-84.8	0	0	0	110.6	R236 R307 H308 S312 P317 H420 E423 W424 I427	R236-Y310 PolarHBondContact NH1-O 3.03Å; R307-Y310 PolarHBondContact O-N 3.43Å; R307-Y310 VanDerWaalsContact O-N 3.08Å; H308-Y310 PolarHBondContact O-N 3.48Å; Y310-S312 VanDerWaalsContact C-N 3.31Å; Y310-S312 PolarHBondContact O-N 2.96Å; Y310-P317 HydrophobicContact CD1-CG 4.06Å; Y310-P317 HydrophobicContact CE1-CG 3.37Å; Y310-H420 PolarHBondContact OH-O 3.31Å; Y310-E423 HydrophobicContact CE2-CB 4.39Å; Y310-E423 WeakPolarHBondContact OH-CB 3.41Å; Y310-E423 PolarHBondContact OH-OE2 3.3Å; Y310-W424 HydrophobicContact CD1-CB 4.29Å; Y310-W424 HydrophobicContact CE1-CB 3.68Å; Y310-W424 HydrophobicContact CE1-CG 4.38Å; Y310-I427 HydrophobicContact CD1-CD1 4.09Å; Y310-I427 HydrophobicContact CD2-CD1 3.18Å; Y310-I427 HydrophobicContact CE2-CD1 3.77Å; Y310-I427 HydrophobicContact CG-CD1 3.36Å
311	V	74.4	Confident	72.2	Confident	20 Å²	20	63.3 Å²	63.3	12%	0.121	30%	0.304	C	S	.	.	S	Bend	trans	-60.9	-41.9	-178.9	-178.1	0	0	0	0	111.4	R236 Q270 R309	R236-V311 PolarHBondContact NH2-O 3.18Å; R236-V311 VanDerWaalsContact NH2-O 3.12Å; Q270-V311 HydrophobicContact CG-CG1 3.48Å; Q270-V311 VanDerWaalsContact CG-CG1 3.48Å; R309-V311 PolarHBondContact O-N 3.25Å
312	S	77.2	Confident	69	Low	5 Å²	5	66.3 Å²	66.3	4%	0.035	33%	0.327	C	S	.	.			trans	-122.6	138.7	162.9	175	0	0	0	0	110.7	D241 H242 I243 Y310 L314 R315	D241-S312 VanDerWaalsContact CG-OG 3.23Å; D241-S312 WeakPolarHBondContact OD1-CB 3.15Å; D241-S312 PolarHBondContact OD1-OG 3.15Å; D241-S312 WeakPolarHBondContact OD2-CA 3.27Å; D241-S312 VanDerWaalsContact OD2-CB 3.26Å; D241-S312 WeakPolarHBondContact OD2-CB 3.24Å; D241-S312 PolarHBondContact OD2-OG 2.93Å; H242-S312 VanDerWaalsContact CE1-CB 3.42Å; H242-S312 WeakPolarHBondContact CE1-CB 3.32Å; I243-S312 VanDerWaalsContact CD1-OG 3.27Å; I243-S312 WeakPolarHBondContact CD1-OG 3.4Å; Y310-S312 VanDerWaalsContact C-N 3.31Å; Y310-S312 PolarHBondContact O-N 2.96Å; S312-L314 VanDerWaalsContact C-N 3.3Å; S312-L314 PolarHBondContact OG-N 3.37Å; S312-L314 VanDerWaalsContact OG-N 3.16Å; S312-R315 PolarHBondContact O-N 3.09Å
313	V	74.9	Confident	65.7	Low	3 Å²	3	72.2 Å²	72.2	2%	0.018	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-25.1	178.2	-177.5	0	0	0	0	110.4	D241 R315 W424 I427 V428 L431	D241-V313 PolarHBondContact OD2-N 2.91Å; V313-R315 PolarHBondContact O-N 2.86Å; V313-W424 PolarHBondContact O-NE1 3.14Å; V313-I427 HydrophobicContact CG1-CG2 4.16Å; V313-I427 HydrophobicContact CG2-CG2 3.67Å; V313-V428 HydrophobicContact CG1-CB 4.13Å; V313-V428 HydrophobicContact CG1-CG2 3.48Å; V313-V428 VanDerWaalsContact CG1-CG2 3.48Å; V313-L431 HydrophobicContact CG1-CD1 4.45Å; V313-L431 HydrophobicContact CG2-CD1 3.6Å
314	L	67.6	Low	62.5	Low	20 Å²	20	78 Å²	78	11%	0.105	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.3	174.2	-59.4	-179.2	0	0	0	112.6	I59 Y62 I243 V244 S312 P316 W432	I59-L314 HydrophobicContact CD1-CD2 4.14Å; I59-L314 HydrophobicContact CG1-CD2 3.96Å; Y62-L314 HydrophobicContact CD1-CB 4.39Å; Y62-L314 WeakPolarHBondContact CE1-O 3.43Å; I243-L314 HydrophobicContact CB-CD1 4.21Å; I243-L314 HydrophobicContact CD1-CB 4.43Å; I243-L314 HydrophobicContact CG2-CD1 3.86Å; V244-L314 HydrophobicContact CG2-CD1 4.06Å; S312-L314 VanDerWaalsContact C-N 3.3Å; S312-L314 PolarHBondContact OG-N 3.37Å; S312-L314 VanDerWaalsContact OG-N 3.16Å; L314-P316 WeakPolarHBondContact O-CD 3.33Å; L314-W432 HydrophobicContact CD2-CZ2 4.14Å
315	R	66.4	Low	59.3	Low	74 Å²	74	76.3 Å²	76.3	28%	0.279	39%	0.391	S	S	.	.	S	Bend	trans	-105.7	102.1	176	-172.3	175.5	-169	170.9	11.2	110.8	Y62 F86 S312 V313	Y62-R315 WeakPolarHBondContact OH-CA 2.83Å; Y62-R315 VanDerWaalsContact OH-CB 3.31Å; Y62-R315 WeakPolarHBondContact OH-CB 3.29Å; Y62-R315 VanDerWaalsContact OH-CG 3.3Å; Y62-R315 WeakPolarHBondContact OH-CG 3.27Å; F86-R315 PolarHBondContact O-NH1 3.19Å; F86-R315 PolarHBondContact O-NH2 2.78Å; S312-R315 PolarHBondContact O-N 3.09Å; V313-R315 PolarHBondContact O-N 2.86Å
316	P	57.6	Low	56.3	Low	64 Å²	64	79.3 Å²	79.3	42%	0.416	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-61.4	145.9	169.6	23.7	-30	0	0	0	110.1	L314 K318 W424	L314-P316 WeakPolarHBondContact O-CD 3.33Å; P316-K318 PolarHBondContact O-N 3.12Å; P316-W424 HydrophobicContact CB-CD2 4.32Å; P316-W424 HydrophobicContact CB-CZ2 4.42Å
317	P	51.9	Low	53.5	Low	51 Å²	51	84.4 Å²	84.4	33%	0.331	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-58.2	131.8	177.2	-20.5	30.6	0	0	0	110.9	Y310	Y310-P317 HydrophobicContact CD1-CG 4.06Å; Y310-P317 HydrophobicContact CE1-CG 3.37Å
318	K	48.3	Very low	50.6	Low	107 Å²	107	93.7 Å²	93.7	47%	0.465	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-74.8	137.5	165.9	-68.6	-170.2	175.1	-168.6	0	108.8	D70 P316 I320	D70-K318 IonicContact OD1-NZ 3.72Å; D70-K318 PolarHBondContact OD1-NZ 2.73Å; D70-K318 IonicContact OD2-NZ 3.8Å; D70-K318 PolarHBondContact OD2-NZ 3.26Å; D70-K318 VanDerWaalsContact OD2-NZ 3.16Å; P316-K318 PolarHBondContact O-N 3.12Å; K318-I320 PolarHBondContact O-N 3.34Å; K318-I320 VanDerWaalsContact O-N 3.13Å
319	A	38.3	Very low	47.8	Very low	55 Å²	55	95.7 Å²	95.7	46%	0.455	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-56.6	117.1	175.3	0	0	0	0	0	109.8	R321 P416	A319-R321 PolarHBondContact O-N 3.35Å; A319-P416 HydrophobicContact CB-CB 4.45Å
320	I	36.9	Very low	45.1	Very low	150 Å²	150	92.5 Å²	92.5	77%	0.769	53%	0.528	S	S	*	.			trans	-72.5	111.9	175.8	-61.7	170.9	0	0	0	106.8	K318 P322	K318-I320 PolarHBondContact O-N 3.34Å; K318-I320 VanDerWaalsContact O-N 3.13Å; I320-P322 WeakPolarHBondContact O-CD 3.43Å
321	R	26.6	Very low	42.4	Very low	212 Å²	212	98.5 Å²	98.5	80%	0.8	57%	0.571	S	S	*	*			trans	-64.6	125	167.6	-71.4	-176.2	178.2	-174.3	-1.4	107.9	A319 T323	A319-R321 PolarHBondContact O-N 3.35Å; R321-T323 PolarHBondContact O-N 2.84Å; R321-T323 VanDerWaalsContact O-N 3.16Å
322	P	27.3	Very low	40	Very low	118 Å²	118	100.8 Å²	100.8	77%	0.766	60%	0.599	S	S	*	*			trans	-64.1	121.2	173.9	24.3	-29.1	0	0	0	108.3	I320 L324	I320-P322 WeakPolarHBondContact O-CD 3.43Å; P322-L324 PolarHBondContact O-N 3.18Å; P322-L324 VanDerWaalsContact O-N 3.14Å
323	T	27.2	Very low	37.5	Very low	124 Å²	124	109.8 Å²	109.8	76%	0.761	64%	0.637	S	S	*	*			trans	-63.8	114.3	167.5	41.5	0	0	0	0	107.6	R321 N325	R321-T323 PolarHBondContact O-N 2.84Å; R321-T323 VanDerWaalsContact O-N 3.16Å; T323-N325 VanDerWaalsContact C-N 3.28Å; T323-N325 PolarHBondContact O-N 3.4Å
324	L	28.4	Very low	35	Very low	174 Å²	174	115.7 Å²	115.7	91%	0.911	67%	0.669	S	S	*	*			trans	-61	93.1	168	-85.9	150.6	0	0	0	108.3	P322 G326	P322-L324 PolarHBondContact O-N 3.18Å; P322-L324 VanDerWaalsContact O-N 3.14Å; L324-G326 PolarHBondContact O-N 2.83Å
325	N	27.8	Very low	33	Very low	150 Å²	150	122.9 Å²	122.9	80%	0.802	70%	0.702	S	S	*	*			trans	-69.3	85.2	160.9	-92.7	-6.7	0	0	0	107.9	T323 N327	T323-N325 VanDerWaalsContact C-N 3.28Å; T323-N325 PolarHBondContact O-N 3.4Å; N325-N327 PolarHBondContact O-N 2.79Å; N325-N327 VanDerWaalsContact O-N 3.12Å
326	G	27.8	Very low	30.9	Very low	69 Å²	69	126.4 Å²	126.4	71%	0.711	73%	0.726	S	S	*	*			trans	-69.4	99.4	164.8	0	0	0	0	0	109.6	L324 K328	L324-G326 PolarHBondContact O-N 2.83Å; G326-K328 PolarHBondContact O-N 3.43Å; G326-K328 VanDerWaalsContact O-N 3.15Å
327	N	29.1	Very low	29.3	Very low	159 Å²	159	127.5 Å²	127.5	85%	0.85	74%	0.741	S	S	*	*			trans	-52.8	114.4	158.3	-84	-16.3	0	0	0	109.3	N325	N325-N327 PolarHBondContact O-N 2.79Å; N325-N327 VanDerWaalsContact O-N 3.12Å
328	K	28.2	Very low	27.9	Very low	210 Å²	210	131 Å²	131	91%	0.913	77%	0.766	S	S	*	*			trans	-135.8	105.1	151.8	-81.9	-166.2	177.2	179.8	0	110	G326	G326-K328 PolarHBondContact O-N 3.43Å; G326-K328 VanDerWaalsContact O-N 3.15Å
329	A	25.9	Very low	26.6	Very low	104 Å²	104	129.2 Å²	129.2	86%	0.86	78%	0.778	S	S	*	*			trans	-76	140.5	161.6	0	0	0	0	0	110
330	G	24.8	Very low	26.3	Very low	68 Å²	68	132.8 Å²	132.8	70%	0.701	80%	0.797	S	S	*	*			trans	93	124.3	139	0	0	0	0	0	119.9
331	S	24	Very low	25.7	Very low	132 Å²	132	129.9 Å²	129.9	92%	0.923	80%	0.795	S	S	*	*			trans	74.2	136.7	160.9	77.6	0	0	0	0	116.6
332	G	23.4	Very low	25.5	Very low	68 Å²	68	129.2 Å²	129.2	70%	0.701	80%	0.801	S	S	*	*			cis	152.5	132.3	5.3	0	0	0	0	0	107.8
333	K	24.4	Very low	25.3	Very low	193 Å²	193	127 Å²	127	84%	0.839	80%	0.8	S	S	*	*			trans	74.1	122.2	163	-64.2	-169.4	172.7	-170.3	0	121.4
334	D	23.8	Very low	25.1	Very low	128 Å²	128	132.8 Å²	132.8	68%	0.684	81%	0.807	S	S	*	*				61.9	129.8	123.3	-56.4	-27.4	0	0	0	123.7
335	E	25.2	Very low	24.8	Very low	171 Å²	171	136 Å²	136	80%	0.799	81%	0.807	S	S	*	*			trans	81.6	118.3	137.3	-73.4	178.8	-173.5	0	0	123.3
336	D	22.7	Very low	24.6	Very low	148 Å²	148	139.4 Å²	139.4	79%	0.791	81%	0.809	S	S	*	*				60.7	119.9	129.7	-75.1	-7.9	0	0	0	125
337	A	23	Very low	24.3	Very low	87 Å²	87	146.3 Å²	146.3	72%	0.719	81%	0.814	S	S	*	*				74.7	145.3	123.8	0	0	0	0	0	123.4
338	S	22.6	Very low	24.1	Very low	124 Å²	124	145 Å²	145	87%	0.867	81%	0.811	S	S	*	*			trans	89	121.2	153.6	63.4	0	0	0	0	120.5
339	G	20.6	Very low	23.7	Very low	70 Å²	70	146.3 Å²	146.3	72%	0.722	81%	0.81	S	S	*	*			trans	-84.9	-145.5	167.4	0	0	0	0	0	112.2
340	P	33.1	Very low	23.6	Very low	129 Å²	129	145.7 Å²	145.7	84%	0.838	80%	0.799	S	S	*	*			cis	-131.9	-177.3	-30.4	38.8	-21.5	0	0	0	113.2
341	A	24	Very low	23.5	Very low	89 Å²	89	149.6 Å²	149.6	74%	0.736	80%	0.803	S	S	*	*			trans	84.7	138	145.1	0	0	0	0	0	123.3
342	E	22.2	Very low	23.5	Very low	199 Å²	199	148.6 Å²	148.6	93%	0.93	79%	0.792	S	S	*	*			trans	79.2	113.3	147.1	-77.3	-174.5	162.5	0	0	122.8
343	G	22.3	Very low	23.4	Very low	71 Å²	71	152.3 Å²	152.3	73%	0.732	80%	0.796	S	S	*	*				125.5	131.8	98.6	0	0	0	0	0	119.1
344	R	23.8	Very low	23.4	Very low	245 Å²	245	149.2 Å²	149.2	93%	0.925	79%	0.793	S	S	*	*			trans	92.3	104.3	158.6	-63.6	178.4	166.7	-173	-2.4	116.8
345	R	22.5	Very low	23.4	Very low	242 Å²	242	148.4 Å²	148.4	91%	0.913	80%	0.798	S	S	*	*				60.6	115.4	72.5	-78.7	-170.9	175.1	-178.7	0.5	115.3
346	R	22.6	Very low	23.4	Very low	221 Å²	221	144.9 Å²	144.9	83%	0.834	80%	0.798	S	S	*	*				142	150.4	129.5	-86.6	-173	171.9	178	-0.3	109.3
347	R	21.3	Very low	23.8	Very low	215 Å²	215	144.2 Å²	144.2	81%	0.811	80%	0.801	S	S	*	*			cis	-179.7	141.7	-16	-162.4	178.3	-157.3	-177.3	4.3	103.8
348	V	24.8	Very low	23.8	Very low	130 Å²	130	143.6 Å²	143.6	79%	0.788	80%	0.803	S	S	*	*			trans	-50.5	140.5	168.7	173.2	0	0	0	0	112.9
349	R	20.9	Very low	24	Very low	239 Å²	239	147.3 Å²	147.3	90%	0.902	81%	0.807	S	S	*	*				-169.2	150.8	127.6	-109.1	177.9	178.7	-174.9	-1.5	114.9
350	S	23	Very low	24.1	Very low	90 Å²	90	154.8 Å²	154.8	63%	0.629	81%	0.813	S	S	*	*			trans	-77.4	-173.2	-170.3	55.7	0	0	0	0	116.7
351	L	23.3	Very low	23.7	Very low	150 Å²	150	154.9 Å²	154.9	79%	0.785	81%	0.807	S	S	*	*			trans	113.1	140.8	154.9	-59.7	167	0	0	0	111.8
352	T	23.3	Very low	23.7	Very low	111 Å²	111	157.7 Å²	157.7	68%	0.681	81%	0.81	S	S	*	*			cis	-179.2	149.7	-2.4	21.2	0	0	0	0	107.9
353	N	23.1	Very low	24	Very low	146 Å²	146	155.3 Å²	155.3	78%	0.781	80%	0.802	S	S	*	*			trans	30.8	138.9	144.5	-67.7	-8.5	0	0	0	123.5
354	T	23	Very low	24.3	Very low	129 Å²	129	158 Å²	158	79%	0.791	81%	0.806	S	S	*	*				178	120.7	110.9	28.6	0	0	0	0	114.5
355	S	24.3	Very low	24.3	Very low	111 Å²	111	157.4 Å²	157.4	78%	0.776	80%	0.804	S	S	*	*			trans	32.5	143.6	134.4	59.2	0	0	0	0	122.1
356	A	24.8	Very low	24.4	Very low	97 Å²	97	157.5 Å²	157.5	80%	0.802	81%	0.805	S	S	*	*			cis	-177.8	-178.5	48.9	0	0	0	0	0	112.2
357	P	31.5	Very low	24.5	Very low	133 Å²	133	152.3 Å²	152.3	86%	0.864	80%	0.802	S	S	*	*			trans	-126.6	-178.8	-142	45.6	-34.1	0	0	0	119.2
358	G	23.3	Very low	24.7	Very low	74 Å²	74	149.2 Å²	149.2	76%	0.763	80%	0.801	S	S	*	*			trans	129.7	140.9	159.9	0	0	0	0	0	113.2
359	Q	25.6	Very low	24.7	Very low	202 Å²	202	150.8 Å²	150.8	94%	0.944	80%	0.799	S	S	*	*			cis	-161.6	161.1	22.2	-97.6	178.5	-27.8	0	0	111
360	R	23.6	Very low	25	Very low	227 Å²	227	147 Å²	147	86%	0.857	80%	0.797	S	S	*	*			trans	-79.6	153.5	174.9	-63	169.4	158.8	165.3	-6.6	113
361	N	24.5	Very low	25	Very low	132 Å²	132	149.7 Å²	149.7	71%	0.706	80%	0.804	S	S	*	*				161.9	142.2	107.7	-90.5	-18.9	0	0	0	116
362	N	24.2	Very low	25.2	Very low	148 Å²	148	148.8 Å²	148.8	79%	0.791	81%	0.806	S	S	*	*			trans	88.7	117.4	139.5	-67.2	-10.6	0	0	0	123.6
363	I	27.8	Very low	25.2	Very low	148 Å²	148	150 Å²	150	76%	0.759	81%	0.814	S	S	*	*			trans	-79.2	159	159.7	-61.3	159.3	0	0	0	109.5
364	P	28.5	Very low	25.2	Very low	128 Å²	128	146.8 Å²	146.8	83%	0.831	82%	0.816	S	S	*	*				-136.2	151.7	122	27.1	-9.3	0	0	0	115.2
365	R	24.4	Very low	25.3	Very low	232 Å²	232	144.8 Å²	144.8	88%	0.875	82%	0.82	S	S	*	*			trans	-84.3	156.9	170.8	-74.6	174.4	164.8	170.5	-5.1	112
366	R	25	Very low	25.3	Very low	245 Å²	245	144.3 Å²	144.3	93%	0.925	82%	0.823	S	S	*	*			trans	157.2	155	139.8	-91.6	172.7	178.9	-171.2	0.2	109.2
367	S	23.5	Very low	25.5	Very low	112 Å²	112	149.3 Å²	149.3	78%	0.783	83%	0.83	S	S	*	*			cis	-171	173	-21.2	60.4	0	0	0	0	107.5
368	L	25.8	Very low	25.5	Very low	150 Å²	150	149.6 Å²	149.6	79%	0.785	82%	0.823	S	S	*	*			trans	-74.7	168.8	-168.7	-70.1	153.8	0	0	0	118.1
369	H	24.7	Very low	25.9	Very low	162 Å²	162	154.4 Å²	154.4	75%	0.75	83%	0.832	S	S	*	*			trans	99.1	118	152	-74.7	-72.7	0	0	0	120.2
370	N	26.8	Very low	26.2	Very low	160 Å²	160	148.1 Å²	148.1	86%	0.856	81%	0.809	S	S	*	*				-176.3	137.9	105.2	-88.7	-24.4	0	0	0	113.6
371	L	23.2	Very low	27.2	Very low	147 Å²	147	140.1 Å²	140.1	77%	0.77	79%	0.788	S	S	*	*			trans	-85.5	159.5	164.5	-122.6	91.2	0	0	0	109.4
372	P	28.3	Very low	28	Very low	130 Å²	130	138.2 Å²	138.2	84%	0.844	78%	0.781	S	S	*	*				-146.7	164.5	103.6	33.6	-14.7	0	0	0	116.8
373	T	24.1	Very low	28.7	Very low	137 Å²	137	136.1 Å²	136.1	84%	0.84	77%	0.766	S	S	*	*			trans	-81.7	155	-175.5	-13.3	0	0	0	0	114.2
374	G	23.3	Very low	29.4	Very low	79 Å²	79	132.6 Å²	132.6	81%	0.814	75%	0.749	S	S	*	*			trans	148.6	113.4	155.6	0	0	0	0	0	115.3
375	G	24.1	Very low	30	Very low	86 Å²	86	130.8 Å²	130.8	89%	0.887	73%	0.73	S	S	*	*			trans	-92.6	163.2	-163.7	0	0	0	0	0	117.9
376	A	24.8	Very low	30.8	Very low	101 Å²	101	123.6 Å²	123.6	84%	0.835	71%	0.708	S	S	*	*			trans	-147.4	134.8	159.6	0	0	0	0	0	109.3
377	Q	28.3	Very low	31.9	Very low	203 Å²	203	116 Å²	116	95%	0.949	68%	0.682	S	S	*	*			trans	-81.1	124.5	-164.2	-158	165.2	0.6	0	0	111.4
378	L	31.6	Very low	32.7	Very low	139 Å²	139	114.7 Å²	114.7	73%	0.728	66%	0.663	S	S	*	*			trans	-71	135.6	179.8	-80.1	109.6	0	0	0	113.2	C380	L378-C380 HydrophobicContact CB-CB 4.27Å; L378-C380 HydrophobicContact CD2-CB 4Å
379	N	31.8	Very low	33.5	Very low	175 Å²	175	113.8 Å²	113.8	94%	0.936	65%	0.649	S	S	*	*			trans	-95.7	89.1	144.5	-82.9	-20.9	0	0	0	107.4
380	C	32.9	Very low	34.4	Very low	69 Å²	69	114.6 Å²	114.6	47%	0.466	65%	0.646	S	S	.	*			trans	-86	122.7	178.2	-168.6	0	0	0	0	109	L378 D384	L378-C380 HydrophobicContact CB-CB 4.27Å; L378-C380 HydrophobicContact CD2-CB 4Å; C380-D384 WeakPolarHBondContact SG-CB 3.38Å
381	S	43.7	Very low	35.3	Very low	59 Å²	59	115.4 Å²	115.4	41%	0.413	64%	0.637	S	S	.	*			trans	-66.6	151.3	172.1	177.6	0	0	0	0	109.8	E383 D384 E385	S381-E383 PolarHBondContact O-N 2.78Å; S381-E383 VanDerWaalsContact O-N 3.07Å; S381-E383 PolarHBondContact OG-N 2.86Å; S381-D384 VanDerWaalsContact CB-OD2 3.29Å; S381-D384 WeakPolarHBondContact CB-OD2 3.48Å; S381-D384 PolarHBondContact N-OD2 2.91Å; S381-D384 WeakPolarHBondContact O-CA 3.25Å; S381-D384 WeakPolarHBondContact O-CB 3.44Å; S381-D384 PolarHBondContact O-N 2.92Å; S381-E385 PolarHBondContact O-N 3.05Å
382	V	40.4	Very low	35.8	Very low	93 Å²	93	114.7 Å²	114.7	56%	0.564	63%	0.633	S	S	*	*	H	α-helix	trans	-55.5	-27.1	171.2	177.6	0	0	0	0	111.1	E385 L386	V382-E385 PolarHBondContact O-N 2.84Å; V382-L386 HydrophobicContact CG1-CD1 4.28Å; V382-L386 WeakPolarHBondContact O-CB 3.15Å; V382-L386 WeakPolarHBondContact O-CG 3.22Å; V382-L386 PolarHBondContact O-N 2.9Å
383	E	39.1	Very low	36.2	Very low	104 Å²	104	112.3 Å²	112.3	49%	0.486	62%	0.624	S	S	.	*	H	α-helix	trans	-71.2	-33.6	175.1	-160.6	139.9	-164.8	0	0	112.8	S381 K387	S381-E383 PolarHBondContact O-N 2.78Å; S381-E383 VanDerWaalsContact O-N 3.07Å; S381-E383 PolarHBondContact OG-N 2.86Å; E383-K387 WeakPolarHBondContact O-CB 3.44Å; E383-K387 VanDerWaalsContact O-CG 3.24Å; E383-K387 WeakPolarHBondContact O-CG 3.4Å; E383-K387 PolarHBondContact O-N 2.79Å
384	D	43.7	Very low	36.6	Very low	73 Å²	73	108.9 Å²	108.9	39%	0.39	62%	0.616	S	S	.	*	H	α-helix	trans	-76.3	-34.3	174.5	-59.5	-37.2	0	0	0	110.6	C380 S381 K387 E388	C380-D384 WeakPolarHBondContact SG-CB 3.38Å; S381-D384 VanDerWaalsContact CB-OD2 3.29Å; S381-D384 WeakPolarHBondContact CB-OD2 3.48Å; S381-D384 PolarHBondContact N-OD2 2.91Å; S381-D384 WeakPolarHBondContact O-CA 3.25Å; S381-D384 WeakPolarHBondContact O-CB 3.44Å; S381-D384 PolarHBondContact O-N 2.92Å; D384-K387 PolarHBondContact O-N 3.24Å; D384-E388 WeakPolarHBondContact O-CB 3.44Å; D384-E388 PolarHBondContact O-N 3.23Å
385	E	39.6	Very low	37.4	Very low	91 Å²	91	113.9 Å²	113.9	43%	0.425	62%	0.616	S	S	.	*	H	α-helix	trans	-67.4	-36.6	172.6	-162.3	-172.1	158.7	0	0	112.1	S381 V382 R389	S381-E385 PolarHBondContact O-N 3.05Å; V382-E385 PolarHBondContact O-N 2.84Å; E385-R389 WeakPolarHBondContact O-CB 3.46Å; E385-R389 VanDerWaalsContact O-CG 3.28Å; E385-R389 WeakPolarHBondContact O-CG 3.37Å; E385-R389 PolarHBondContact O-N 3.33Å; E385-R389 IonicContact OE1-CZ 2.63Å; E385-R389 IonicContact OE1-NE 3.42Å; E385-R389 PolarHBondContact OE1-NE 3.42Å; E385-R389 IonicContact OE1-NH2 3.45Å; E385-R389 PolarHBondContact OE1-NH2 2.93Å
386	L	42.2	Very low	37.5	Very low	81 Å²	81	116.5 Å²	116.5	42%	0.424	61%	0.609	S	S	.	*	H	α-helix	trans	-69.5	-37.8	174.2	-76.8	165.5	0	0	0	112	V382 R390	V382-L386 HydrophobicContact CG1-CD1 4.28Å; V382-L386 WeakPolarHBondContact O-CB 3.15Å; V382-L386 WeakPolarHBondContact O-CG 3.22Å; V382-L386 PolarHBondContact O-N 2.9Å; L386-R390 WeakPolarHBondContact O-CG 3.31Å; L386-R390 PolarHBondContact O-N 2.63Å
387	K	47.6	Very low	37.6	Very low	86 Å²	86	120.8 Å²	120.8	37%	0.374	61%	0.612	S	S	.	*	H	α-helix	trans	-68.4	-39.6	173.3	-75.6	171.2	-176.6	175	0	112.1	E383 D384 R389 R390 R391	E383-K387 WeakPolarHBondContact O-CB 3.44Å; E383-K387 VanDerWaalsContact O-CG 3.24Å; E383-K387 WeakPolarHBondContact O-CG 3.4Å; E383-K387 PolarHBondContact O-N 2.79Å; D384-K387 PolarHBondContact O-N 3.24Å; K387-R389 VanDerWaalsContact C-N 3.34Å; K387-R389 PolarHBondContact O-N 3.47Å; K387-R390 WeakPolarHBondContact O-CB 3.37Å; K387-R390 PolarHBondContact O-N 2.76Å; K387-R391 PolarHBondContact O-N 2.81Å; K387-R391 VanDerWaalsContact O-N 3.1Å
388	E	40.4	Very low	37.4	Very low	84 Å²	84	116.8 Å²	116.8	39%	0.393	60%	0.602	S	S	.	*	H	α-helix	trans	-69.2	-33.4	177.9	-168.9	59.8	-162	0	0	111.8	D384 R390 R391 L392	D384-E388 WeakPolarHBondContact O-CB 3.44Å; D384-E388 PolarHBondContact O-N 3.23Å; E388-R390 VanDerWaalsContact C-N 3.31Å; E388-R390 PolarHBondContact O-N 2.88Å; E388-R391 WeakPolarHBondContact O-CB 3.31Å; E388-R391 PolarHBondContact O-N 3.36Å; E388-R391 VanDerWaalsContact O-N 3.14Å; E388-R391 WeakPolarHBondContact OE2-CD 3.11Å; E388-R391 IonicContact OE2-NH1 3.6Å; E388-L392 HydrophobicContact CG-CD1 4.17Å; E388-L392 WeakPolarHBondContact O-CB 3.38Å; E388-L392 WeakPolarHBondContact O-CG 3.01Å; E388-L392 PolarHBondContact O-N 2.84Å
389	R	42.6	Very low	37.1	Very low	130 Å²	130	120.8 Å²	120.8	49%	0.491	61%	0.609	S	S	.	*	H	α-helix	trans	-70.8	-25	172.4	-73.4	-174.5	-172.1	-155.6	4.6	113.8	E385 K387 A393	E385-R389 WeakPolarHBondContact O-CB 3.46Å; E385-R389 VanDerWaalsContact O-CG 3.28Å; E385-R389 WeakPolarHBondContact O-CG 3.37Å; E385-R389 PolarHBondContact O-N 3.33Å; E385-R389 IonicContact OE1-CZ 2.63Å; E385-R389 IonicContact OE1-NE 3.42Å; E385-R389 PolarHBondContact OE1-NE 3.42Å; E385-R389 IonicContact OE1-NH2 3.45Å; E385-R389 PolarHBondContact OE1-NH2 2.93Å; K387-R389 VanDerWaalsContact C-N 3.34Å; K387-R389 PolarHBondContact O-N 3.47Å; R389-A393 PolarHBondContact O-N 3.45Å
390	R	44.7	Very low	36.6	Very low	180 Å²	180	123.5 Å²	123.5	68%	0.679	61%	0.606	S	S	*	*	H	α-helix	trans	-70.8	-34.2	167.5	-70.1	174.5	-179.4	-179.7	-1.2	111.6	L386 K387 E388	L386-R390 WeakPolarHBondContact O-CG 3.31Å; L386-R390 PolarHBondContact O-N 2.63Å; K387-R390 WeakPolarHBondContact O-CB 3.37Å; K387-R390 PolarHBondContact O-N 2.76Å; E388-R390 VanDerWaalsContact C-N 3.31Å; E388-R390 PolarHBondContact O-N 2.88Å
391	R	43.9	Very low	36.3	Very low	177 Å²	177	128.6 Å²	128.6	67%	0.668	62%	0.623	S	S	*	*	H	α-helix	trans	-70.4	-43.3	173.5	-71.8	174.7	166.3	-179.7	-5.3	113	K387 E388 A393 G394	K387-R391 PolarHBondContact O-N 2.81Å; K387-R391 VanDerWaalsContact O-N 3.1Å; E388-R391 WeakPolarHBondContact O-CB 3.31Å; E388-R391 PolarHBondContact O-N 3.36Å; E388-R391 VanDerWaalsContact O-N 3.14Å; E388-R391 WeakPolarHBondContact OE2-CD 3.11Å; E388-R391 IonicContact OE2-NH1 3.6Å; R391-A393 PolarHBondContact O-N 3.42Å; R391-G394 PolarHBondContact O-N 2.93Å
392	L	33.8	Very low	35.2	Very low	132 Å²	132	132.1 Å²	132.1	69%	0.691	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-7.3	179.4	-73	163.9	0	0	0	114.3	E388 G394	E388-L392 HydrophobicContact CG-CD1 4.17Å; E388-L392 WeakPolarHBondContact O-CB 3.38Å; E388-L392 WeakPolarHBondContact O-CG 3.01Å; E388-L392 PolarHBondContact O-N 2.84Å; L392-G394 PolarHBondContact O-N 3.24Å
393	A	38	Very low	34.3	Very low	80 Å²	80	136 Å²	136	66%	0.661	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	8	175.5	0	0	0	0	0	114.1	R389 R391	R389-A393 PolarHBondContact O-N 3.45Å; R391-A393 PolarHBondContact O-N 3.42Å
394	G	32.7	Very low	33.5	Very low	64 Å²	64	137.2 Å²	137.2	66%	0.66	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	110.4	19.8	162.1	0	0	0	0	0	117.2	R391 L392 D396	R391-G394 PolarHBondContact O-N 2.93Å; L392-G394 PolarHBondContact O-N 3.24Å; G394-D396 PolarHBondContact O-N 2.87Å
395	F	38.5	Very low	32.5	Very low	185 Å²	185	141.6 Å²	141.6	81%	0.811	69%	0.688	S	S	*	*			trans	-92.8	77.4	168.4	-75.7	-82	0	0	0	110.7
396	D	27.2	Very low	32.1	Very low	141 Å²	141	144.8 Å²	144.8	75%	0.754	71%	0.708	S	S	*	*			trans	-159	113.6	139.3	-155.7	3.9	0	0	0	109.8	G394	G394-D396 PolarHBondContact O-N 2.87Å
397	Q	26.3	Very low	31.3	Very low	190 Å²	190	146.3 Å²	146.3	89%	0.888	73%	0.725	S	S	*	*			trans	-122.3	106.7	149.3	-106.6	-176.3	9.4	0	0	106.8	Y399	Q397-Y399 PolarHBondContact O-N 3.48Å
398	T	24.7	Very low	30.4	Very low	120 Å²	120	149.7 Å²	149.7	74%	0.736	75%	0.748	S	S	*	*			trans	-22.9	124.3	160.3	19.9	0	0	0	0	114.2	R400	T398-R400 PolarHBondContact O-N 3.32Å
399	Y	26.2	Very low	29.7	Very low	222 Å²	222	150.8 Å²	150.8	87%	0.871	76%	0.764	S	S	*	*			trans	-13.4	116.3	155	-80.7	-99.9	0	0	0	115.8	Q397	Q397-Y399 PolarHBondContact O-N 3.48Å
400	R	20.9	Very low	28.9	Very low	232 Å²	232	152 Å²	152	88%	0.875	78%	0.781	S	S	*	*			trans	-123.8	118.6	134.7	-89.3	-169.8	179.1	-171.3	0.7	107.5	T398 V402	T398-R400 PolarHBondContact O-N 3.32Å; R400-V402 PolarHBondContact O-N 3.22Å
401	E	25.2	Very low	28.2	Very low	177 Å²	177	148.6 Å²	148.6	83%	0.827	78%	0.782	S	S	*	*			trans	-49.3	110.7	161.3	-75.3	176.1	144.1	0	0	108.8	K403	E401-K403 PolarHBondContact O-N 2.94Å
402	V	21.7	Very low	27.6	Very low	133 Å²	133	149.7 Å²	149.7	81%	0.806	80%	0.795	S	S	*	*			trans	-86.9	96.5	160.7	178.8	0	0	0	0	105.3	R400 T404	R400-V402 PolarHBondContact O-N 3.22Å; V402-T404 PolarHBondContact O-N 3.32Å
403	K	20.8	Very low	27.3	Very low	173 Å²	173	152 Å²	152	75%	0.752	80%	0.799	S	S	*	*			trans	-54.8	119.3	158.2	-81.9	-179.5	173.8	180	0	107.4	E401 L405	E401-K403 PolarHBondContact O-N 2.94Å; K403-L405 PolarHBondContact O-N 2.84Å; K403-L405 VanDerWaalsContact O-N 3.09Å
404	T	23.5	Very low	26.8	Very low	131 Å²	131	151.5 Å²	151.5	80%	0.804	80%	0.802	S	S	*	*			trans	-54.2	110	163.8	39.5	0	0	0	0	108.2	V402	V402-T404 PolarHBondContact O-N 3.32Å
405	L	22.9	Very low	26.6	Very low	165 Å²	165	156.2 Å²	156.2	86%	0.864	81%	0.807	S	S	*	*			trans	-86.7	113.3	165.2	-97	145.8	0	0	0	106.4	K403 S407	K403-L405 PolarHBondContact O-N 2.84Å; K403-L405 VanDerWaalsContact O-N 3.09Å; L405-S407 PolarHBondContact O-N 2.76Å
406	D	30.8	Very low	26.5	Very low	157 Å²	157	151.1 Å²	151.1	84%	0.84	79%	0.792	S	S	*	*			trans	-51.5	127.9	166.5	-75	-35.9	0	0	0	110.1
407	S	25	Very low	27.3	Very low	113 Å²	113	148.5 Å²	148.5	79%	0.79	78%	0.782	S	S	*	*			trans	-132.8	96.2	156	70.8	0	0	0	0	108.5	L405 S409	L405-S407 PolarHBondContact O-N 2.76Å; S407-S409 PolarHBondContact O-N 3.45Å
408	D	27.8	Very low	28.7	Very low	158 Å²	158	146.5 Å²	146.5	85%	0.845	77%	0.772	S	S	*	*			trans	-50.7	125.2	158.4	-86.2	-36	0	0	0	109.9
409	S	27.2	Very low	30.5	Very low	106 Å²	106	145.2 Å²	145.2	74%	0.741	76%	0.764	S	S	*	*				161.4	137.5	108.3	37.7	0	0	0	0	113	S407	S407-S409 PolarHBondContact O-N 3.45Å
410	D	24.9	Very low	32.5	Very low	156 Å²	156	137.4 Å²	137.4	83%	0.834	74%	0.736	S	S	*	*	S	Bend	trans	95.6	140.1	167.1	-63.2	-18.2	0	0	0	119.2
411	P	30.3	Very low	35.1	Very low	108 Å²	108	128.1 Å²	128.1	70%	0.701	71%	0.712	S	S	*	*				-114.3	156	-63.3	29.9	-14.2	0	0	0	111.5	F413	P411-F413 PolarHBondContact O-N 2.97Å; P411-F413 VanDerWaalsContact O-N 3.09Å
412	E	31.3	Very low	37.8	Very low	201 Å²	201	124.3 Å²	124.3	94%	0.939	69%	0.694	S	S	*	*			trans	-36.3	102.9	-173.8	-68.4	175.9	147.3	0	0	116.3
413	F	27.8	Very low	41	Very low	179 Å²	179	119.8 Å²	119.8	79%	0.785	66%	0.664	S	S	*	*			trans	-99.8	113.3	153	-88.7	-92.5	0	0	0	107.7	P411 E415	P411-F413 PolarHBondContact O-N 2.97Å; P411-F413 VanDerWaalsContact O-N 3.09Å; F413-E415 PolarHBondContact O-N 3.32Å
414	G	27.5	Very low	44.1	Very low	70 Å²	70	115 Å²	115	72%	0.722	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-55.7	122	-179.2	0	0	0	0	0	112.2
415	E	28.3	Very low	47.2	Very low	164 Å²	164	112.9 Å²	112.9	77%	0.766	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-58.1	143.2	173.7	-70.3	179.9	147.6	0	0	110.7	F413 T417	F413-E415 PolarHBondContact O-N 3.32Å; E415-T417 PolarHBondContact O-N 3.46Å
416	P	36.3	Very low	50.5	Low	77 Å²	77	105.3 Å²	105.3	50%	0.5	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-56.1	129.6	164.2	-10.4	23.1	0	0	0	107.8	A319 E418	A319-P416 HydrophobicContact CB-CB 4.45Å; P416-E418 PolarHBondContact O-N 3.27Å
417	T	44.3	Very low	53.5	Low	86 Å²	86	97.9 Å²	97.9	53%	0.528	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-48.2	117.2	173.6	46	0	0	0	0	109.1	E415 T419 H420	E415-T417 PolarHBondContact O-N 3.46Å; T417-T419 PolarHBondContact O-N 3.44Å; T417-H420 PolarHBondContact O-N 3.02Å; T417-H420 PolarHBondContact OG1-CD2 3.27Å
418	E	56.3	Low	56.6	Low	148 Å²	148	93.1 Å²	93.1	69%	0.692	51%	0.508	S	S	*	.	H	α-helix	trans	-44.8	-38.3	-168.7	-67.2	179.5	146.1	0	0	113	P416 H420 G421 H422	P416-E418 PolarHBondContact O-N 3.27Å; E418-H420 VanDerWaalsContact C-N 3.34Å; E418-H420 PolarHBondContact O-N 2.88Å; E418-G421 PolarHBondContact O-N 3.21Å; E418-G421 VanDerWaalsContact O-N 3.14Å; E418-H422 PolarHBondContact O-CD2 2.73Å; E418-H422 PolarHBondContact O-N 2.61Å; E418-H422 VanDerWaalsContact O-N 3.14Å
419	T	62.1	Low	59.6	Low	93 Å²	93	85.9 Å²	85.9	57%	0.571	47%	0.469	S	S	*	.	H	α-helix	trans	-51.5	-43.1	177.3	25.7	0	0	0	0	114.4	T417 H422 E423	T417-T419 PolarHBondContact O-N 3.44Å; T419-H422 PolarHBondContact O-N 3.07Å; T419-E423 WeakPolarHBondContact O-CG 3.27Å; T419-E423 PolarHBondContact O-N 2.54Å
420	H	68.7	Low	62.9	Low	59 Å²	59	80.8 Å²	80.8	27%	0.273	43%	0.433	S	S	.	.	H	α-helix	trans	-73.4	-28.8	-178.5	-74.4	-40.1	0	0	0	113.3	Y310 T417 E418 E423 W424	Y310-H420 PolarHBondContact OH-O 3.31Å; T417-H420 PolarHBondContact O-N 3.02Å; T417-H420 PolarHBondContact OG1-CD2 3.27Å; E418-H420 VanDerWaalsContact C-N 3.34Å; E418-H420 PolarHBondContact O-N 2.88Å; H420-E423 IonicContact CE1-OE2 3.84Å; H420-E423 IonicContact ND1-OE2 3.08Å; H420-E423 PolarHBondContact ND1-OE2 3.43Å; H420-W424 WeakPolarHBondContact O-CB 3.33Å; H420-W424 PolarHBondContact O-N 2.98Å; H420-W424 VanDerWaalsContact O-N 3.12Å
421	G	74.6	Confident	66.3	Low	36 Å²	36	73.4 Å²	73.4	37%	0.371	39%	0.394	S	S	.	.	H	α-helix	trans	-68.2	-40.3	172.1	0	0	0	0	0	111.6	E418 K425	E418-G421 PolarHBondContact O-N 3.21Å; E418-G421 VanDerWaalsContact O-N 3.14Å; G421-K425 WeakPolarHBondContact O-CB 3.24Å; G421-K425 PolarHBondContact O-N 3.06Å
422	H	82.6	Confident	69.2	Low	97 Å²	97	68.6 Å²	68.6	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-65.4	-46.3	176	-71.8	-70.3	0	0	0	112.5	M301 E418 T419 K425 Q426	M301-H422 HydrophobicContact CE-CB 4.28Å; M301-H422 HydrophobicContact SD-CB 4.16Å; E418-H422 PolarHBondContact O-CD2 2.73Å; E418-H422 PolarHBondContact O-N 2.61Å; E418-H422 VanDerWaalsContact O-N 3.14Å; T419-H422 PolarHBondContact O-N 3.07Å; H422-K425 PolarHBondContact O-N 3.2Å; H422-Q426 WeakPolarHBondContact O-CG 3.3Å; H422-Q426 PolarHBondContact O-N 2.93Å
423	E	88.3	Confident	72.3	Confident	38 Å²	38	59 Å²	59	18%	0.178	32%	0.317	C	S	.	.	H	α-helix	trans	-60	-46	176.6	-73	178.5	142	0	0	112	M305 Y310 T419 H420 K425 Q426 I427	M305-E423 HydrophobicContact CB-CB 4.41Å; M305-E423 HydrophobicContact CB-CG 3.92Å; M305-E423 WeakPolarHBondContact CB-OE1 3.1Å; M305-E423 HydrophobicContact SD-CB 4.37Å; Y310-E423 HydrophobicContact CE2-CB 4.39Å; Y310-E423 WeakPolarHBondContact OH-CB 3.41Å; Y310-E423 PolarHBondContact OH-OE2 3.3Å; T419-E423 WeakPolarHBondContact O-CG 3.27Å; T419-E423 PolarHBondContact O-N 2.54Å; H420-E423 IonicContact CE1-OE2 3.84Å; H420-E423 IonicContact ND1-OE2 3.08Å; H420-E423 PolarHBondContact ND1-OE2 3.43Å; E423-K425 VanDerWaalsContact C-N 3.31Å; E423-K425 PolarHBondContact O-N 3.43Å; E423-Q426 WeakPolarHBondContact O-CB 3.3Å; E423-Q426 PolarHBondContact O-N 2.86Å; E423-I427 PolarHBondContact O-N 2.88Å
424	W	86.6	Confident	75.5	Confident	73 Å²	73	50.5 Å²	50.5	28%	0.277	28%	0.28	S	S	.	.	H	α-helix	trans	-56.5	-46.8	175.3	174	74.3	0	0	0	111.5	Y310 V313 P316 H420 Q426 I427 V428	Y310-W424 HydrophobicContact CD1-CB 4.29Å; Y310-W424 HydrophobicContact CE1-CB 3.68Å; Y310-W424 HydrophobicContact CE1-CG 4.38Å; V313-W424 PolarHBondContact O-NE1 3.14Å; P316-W424 HydrophobicContact CB-CD2 4.32Å; P316-W424 HydrophobicContact CB-CZ2 4.42Å; H420-W424 WeakPolarHBondContact O-CB 3.33Å; H420-W424 PolarHBondContact O-N 2.98Å; H420-W424 VanDerWaalsContact O-N 3.12Å; W424-Q426 VanDerWaalsContact C-N 3.3Å; W424-Q426 PolarHBondContact O-N 3.03Å; W424-I427 PolarHBondContact O-N 3.49Å; W424-I427 VanDerWaalsContact O-N 3.11Å; W424-V428 HydrophobicContact CD2-CG2 3.87Å; W424-V428 VanDerWaalsContact CE2-CG2 3.44Å; W424-V428 HydrophobicContact CE3-CG2 4.3Å; W424-V428 HydrophobicContact CG-CG2 4.43Å; W424-V428 HydrophobicContact CH2-CG2 3.99Å; W424-V428 HydrophobicContact CZ2-CG2 3.52Å; W424-V428 HydrophobicContact CZ3-CG2 4.35Å; W424-V428 WeakPolarHBondContact O-CG2 3.23Å; W424-V428 PolarHBondContact O-N 3.36Å
425	K	88.1	Confident	78.8	Confident	87 Å²	87	48 Å²	48	38%	0.378	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-38	179.7	-168.4	-177.7	-178.2	-166.5	0	111.9	S296 G421 H422 E423 I427 V428 N429	S296-K425 PolarHBondContact OG-NZ 2.93Å; G421-K425 WeakPolarHBondContact O-CB 3.24Å; G421-K425 PolarHBondContact O-N 3.06Å; H422-K425 PolarHBondContact O-N 3.2Å; E423-K425 VanDerWaalsContact C-N 3.31Å; E423-K425 PolarHBondContact O-N 3.43Å; K425-I427 VanDerWaalsContact C-N 3.35Å; K425-I427 PolarHBondContact O-N 2.9Å; K425-V428 PolarHBondContact O-N 2.7Å; K425-N429 WeakPolarHBondContact O-CB 3.33Å; K425-N429 PolarHBondContact O-N 3.25Å; K425-N429 PolarHBondContact O-ND2 3.21Å; K425-N429 PolarHBondContact O-OD1 2.92Å
426	Q	92.7	Very high	82	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.028	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-45	174.4	-63.5	-58.5	-36.2	0	0	111.5	S296 M301 V302 H422 E423 W424 N429 L430	S296-Q426 PolarHBondContact O-NE2 3.36Å; M301-Q426 HydrophobicContact CG-CG 4.33Å; M301-Q426 HydrophobicContact SD-CG 3.76Å; V302-Q426 HydrophobicContact CG2-CB 3.81Å; V302-Q426 HydrophobicContact CG2-CG 4.19Å; H422-Q426 WeakPolarHBondContact O-CG 3.3Å; H422-Q426 PolarHBondContact O-N 2.93Å; E423-Q426 WeakPolarHBondContact O-CB 3.3Å; E423-Q426 PolarHBondContact O-N 2.86Å; W424-Q426 VanDerWaalsContact C-N 3.3Å; W424-Q426 PolarHBondContact O-N 3.03Å; Q426-N429 PolarHBondContact O-N 2.99Å; Q426-L430 WeakPolarHBondContact O-CG 3.44Å; Q426-L430 PolarHBondContact O-N 3Å
427	I	92.6	Very high	84.6	Confident	1 Å²	1	42 Å²	42	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-45.5	179.4	-62.4	171.1	0	0	0	110.8	L278 M305 Y310 V313 E423 W424 K425 N429 L430 L431	L278-I427 HydrophobicContact CD1-CG1 3.98Å; L278-I427 HydrophobicContact CD2-CG2 4.36Å; M305-I427 HydrophobicContact CE-CD1 3.8Å; M305-I427 HydrophobicContact CE-CG1 3.29Å; M305-I427 HydrophobicContact SD-CD1 4.06Å; M305-I427 HydrophobicContact SD-CG1 3.84Å; Y310-I427 HydrophobicContact CD1-CD1 4.09Å; Y310-I427 HydrophobicContact CD2-CD1 3.18Å; Y310-I427 HydrophobicContact CE2-CD1 3.77Å; Y310-I427 HydrophobicContact CG-CD1 3.36Å; V313-I427 HydrophobicContact CG1-CG2 4.16Å; V313-I427 HydrophobicContact CG2-CG2 3.67Å; E423-I427 PolarHBondContact O-N 2.88Å; W424-I427 PolarHBondContact O-N 3.49Å; W424-I427 VanDerWaalsContact O-N 3.11Å; K425-I427 VanDerWaalsContact C-N 3.35Å; K425-I427 PolarHBondContact O-N 2.9Å; I427-N429 VanDerWaalsContact C-N 3.29Å; I427-N429 PolarHBondContact O-N 3.42Å; I427-L430 PolarHBondContact O-N 2.6Å; I427-L431 HydrophobicContact CG2-CD1 3.69Å; I427-L431 VanDerWaalsContact O-CG 3.27Å; I427-L431 WeakPolarHBondContact O-CG 3.28Å; I427-L431 PolarHBondContact O-N 3.07Å
428	V	90.6	Very high	87	Confident	13 Å²	13	42.7 Å²	42.7	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-55.9	-48.3	175.4	176.5	0	0	0	0	110.1	V313 W424 K425 L430 L431 W432	V313-V428 HydrophobicContact CG1-CB 4.13Å; V313-V428 HydrophobicContact CG1-CG2 3.48Å; V313-V428 VanDerWaalsContact CG1-CG2 3.48Å; W424-V428 HydrophobicContact CD2-CG2 3.87Å; W424-V428 VanDerWaalsContact CE2-CG2 3.44Å; W424-V428 HydrophobicContact CE3-CG2 4.3Å; W424-V428 HydrophobicContact CG-CG2 4.43Å; W424-V428 HydrophobicContact CH2-CG2 3.99Å; W424-V428 HydrophobicContact CZ2-CG2 3.52Å; W424-V428 HydrophobicContact CZ3-CG2 4.35Å; W424-V428 WeakPolarHBondContact O-CG2 3.23Å; W424-V428 PolarHBondContact O-N 3.36Å; K425-V428 PolarHBondContact O-N 2.7Å; V428-L430 PolarHBondContact O-N 3.08Å; V428-L431 PolarHBondContact O-N 2.79Å; V428-L431 VanDerWaalsContact O-N 3.14Å; V428-W432 HydrophobicContact CG1-CB 4.44Å; V428-W432 WeakPolarHBondContact O-CB 3.35Å; V428-W432 PolarHBondContact O-N 3.21Å
429	N	91.6	Very high	88.9	Confident	5 Å²	5	41 Å²	41	3%	0.027	22%	0.218	C	C	.	.	H	α-helix	trans	-58.6	-47.1	-178.1	-73.3	-17.5	0	0	0	112.5	G292 S294 K425 Q426 I427 L431 N433	G292-N429 CarbonylContact C-O 3.1Å; G292-N429 PolarHBondContact N-O 3.22Å; S294-N429 PolarHBondContact OG-ND2 3.49Å; K425-N429 WeakPolarHBondContact O-CB 3.33Å; K425-N429 PolarHBondContact O-N 3.25Å; K425-N429 PolarHBondContact O-ND2 3.21Å; K425-N429 PolarHBondContact O-OD1 2.92Å; Q426-N429 PolarHBondContact O-N 2.99Å; I427-N429 VanDerWaalsContact C-N 3.29Å; I427-N429 PolarHBondContact O-N 3.42Å; N429-L431 PolarHBondContact O-N 3.04Å; N429-N433 WeakPolarHBondContact CA-ND2 3.35Å; N429-N433 WeakPolarHBondContact CB-ND2 3.44Å; N429-N433 WeakPolarHBondContact O-CB 3.43Å; N429-N433 VanDerWaalsContact O-CG 3.28Å; N429-N433 PolarHBondContact O-N 3.12Å; N429-N433 PolarHBondContact OD1-ND2 3.4Å
430	L	96.2	Very high	90.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.9	-16.8	-179.2	-67.1	-176.8	0	0	0	113.8	L278 V289 G291 G292 V302 Q426 I427 V428	L278-L430 HydrophobicContact CB-CD1 4Å; V289-L430 HydrophobicContact CB-CD2 4.26Å; V289-L430 HydrophobicContact CG1-CD2 3.8Å; G291-L430 WeakPolarHBondContact CA-O 3.49Å; G291-L430 PolarHBondContact N-O 3.23Å; G292-L430 WeakPolarHBondContact O-CA 3.46Å; V302-L430 HydrophobicContact CB-CD1 4.45Å; V302-L430 HydrophobicContact CG1-CD1 3.7Å; V302-L430 HydrophobicContact CG2-CD1 3.83Å; Q426-L430 WeakPolarHBondContact O-CG 3.44Å; Q426-L430 PolarHBondContact O-N 3Å; I427-L430 PolarHBondContact O-N 2.6Å; V428-L430 PolarHBondContact O-N 3.08Å
431	L	94.8	Very high	91.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-111.9	-26.9	-174.9	-60.3	176.5	0	0	0	113.9	R236 N238 H290 V313 I427 V428 N429	R236-L431 HydrophobicContact CB-CD2 4.18Å; R236-L431 HydrophobicContact CG-CD2 4.38Å; R236-L431 WeakPolarHBondContact O-CD2 3.31Å; N238-L431 HydrophobicContact CB-CB 4.4Å; H290-L431 HydrophobicContact CB-CD2 4.41Å; H290-L431 PolarHBondContact CD2-O 3.04Å; V313-L431 HydrophobicContact CG1-CD1 4.45Å; V313-L431 HydrophobicContact CG2-CD1 3.6Å; I427-L431 HydrophobicContact CG2-CD1 3.69Å; I427-L431 VanDerWaalsContact O-CG 3.27Å; I427-L431 WeakPolarHBondContact O-CG 3.28Å; I427-L431 PolarHBondContact O-N 3.07Å; V428-L431 PolarHBondContact O-N 2.79Å; V428-L431 VanDerWaalsContact O-N 3.14Å; N429-L431 PolarHBondContact O-N 3.04Å
432	W	93	Very high	92.5	Very high	8 Å²	8	39.5 Å²	39.5	3%	0.03	21%	0.207	C	C	.	.	H	α-helix	trans	-123.5	-10.6	-169.2	-74.1	93.1	0	0	0	115.9	N238 V244 L314 V428	N238-W432 HydrophobicContact CB-CD2 3.94Å; N238-W432 VanDerWaalsContact CB-CE2 3.46Å; N238-W432 HydrophobicContact CB-CE3 4.49Å; N238-W432 HydrophobicContact CB-CG 4.38Å; N238-W432 HydrophobicContact CB-CH2 4.27Å; N238-W432 HydrophobicContact CB-CZ2 3.66Å; N238-W432 VanDerWaalsContact ND2-CH2 3.33Å; N238-W432 WeakPolarHBondContact ND2-CH2 3.34Å; V244-W432 HydrophobicContact CG2-CZ2 4.17Å; L314-W432 HydrophobicContact CD2-CZ2 4.14Å; V428-W432 HydrophobicContact CG1-CB 4.44Å; V428-W432 WeakPolarHBondContact O-CB 3.35Å; V428-W432 PolarHBondContact O-N 3.21Å
433	N	94.5	Very high	92.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.			trans	-74.1	152.8	-175.9	-68.8	1.2	0	0	0	112.1	G291 I293 N429 G450 C451 W453 R472	G291-N433 CarbonylContact C-O 3.25Å; I293-N433 PolarHBondContact O-ND2 2.77Å; N429-N433 WeakPolarHBondContact CA-ND2 3.35Å; N429-N433 WeakPolarHBondContact CB-ND2 3.44Å; N429-N433 WeakPolarHBondContact O-CB 3.43Å; N429-N433 VanDerWaalsContact O-CG 3.28Å; N429-N433 PolarHBondContact O-N 3.12Å; N429-N433 PolarHBondContact OD1-ND2 3.4Å; N433-G450 WeakPolarHBondContact OD1-CA 3.27Å; N433-C451 VanDerWaalsContact CA-O 3.32Å; N433-C451 WeakPolarHBondContact CA-O 3.39Å; N433-C451 VanDerWaalsContact CB-O 3.32Å; N433-C451 WeakPolarHBondContact CB-O 3.41Å; N433-C451 VanDerWaalsContact CG-SG 3.51Å; N433-C451 PolarHBondContact ND2-SG 3.31Å; N433-C451 PolarHBondContact OD1-N 2.99Å; N433-W453 VanDerWaalsContact C-CZ3 3.45Å; N433-W453 HydrophobicContact CB-CE3 3.81Å; N433-W453 HydrophobicContact CB-CZ3 3.78Å; N433-R472 PolarHBondContact O-NH2 3Å
434	D	95.8	Very high	92.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.1	174.3	-70.3	-50.9	0	0	0	113.8	N444 R447 C451 Y452 W453 R472 H474 E475	D434-N444 PolarHBondContact OD2-ND2 3.11Å; D434-R447 IonicContact OD1-NH2 3.21Å; D434-R447 PolarHBondContact OD1-NH2 2.97Å; D434-R447 WeakPolarHBondContact OD2-CD 3.07Å; D434-R447 IonicContact OD2-CZ 3.27Å; D434-R447 IonicContact OD2-NE 3.62Å; D434-R447 PolarHBondContact OD2-NE 2.73Å; D434-R447 IonicContact OD2-NH2 3.6Å; D434-R447 PolarHBondContact OD2-NH2 2.88Å; D434-C451 PolarHBondContact N-O 2.84Å; D434-C451 VanDerWaalsContact N-O 3.13Å; D434-Y452 HydrophobicContact CB-CD1 3.83Å; D434-Y452 HydrophobicContact CB-CE1 3.82Å; D434-Y452 CarbonylContact O-C 3.55Å; D434-Y452 WeakPolarHBondContact O-CA 3.32Å; D434-W453 VanDerWaalsContact N-CZ3 3.32Å; D434-W453 WeakPolarHBondContact O-CZ3 3.26Å; D434-W453 PolarHBondContact O-N 3.04Å; D434-R472 IonicContact OD1-CZ 2.98Å; D434-R472 IonicContact OD1-NH1 2.77Å; D434-R472 PolarHBondContact OD1-NH1 2.94Å; D434-R472 IonicContact OD1-NH2 3.97Å; D434-H474 IonicContact OD1-CD2 3.31Å; D434-H474 PolarHBondContact OD1-CD2 3.22Å; D434-E475 VanDerWaalsContact OD1-CG 3.27Å; D434-E475 WeakPolarHBondContact OD1-CG 3.31Å
435	P	96.8	Very high	91.8	Very high	18 Å²	18	40.7 Å²	40.7	12%	0.117	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	146.7	177.3	29.5	-32	0	0	0	111.5	W453 E475	P435-W453 CarbonylContact C-O 3.58Å; P435-W453 HydrophobicContact CB-CD2 4.41Å; P435-W453 HydrophobicContact CB-CH2 3.92Å; P435-W453 HydrophobicContact CB-CZ2 3.68Å; P435-W453 HydrophobicContact CB-CZ3 4.4Å; P435-W453 VanDerWaalsContact CD-CH2 3.46Å; P435-W453 HydrophobicContact CG-CH2 4.09Å; P435-W453 HydrophobicContact CG-CZ2 4.25Å; P435-E475 WeakPolarHBondContact CD-OE2 3.41Å
436	M	94.8	Very high	91	Very high	14 Å²	14	39.9 Å²	39.9	7%	0.069	23%	0.228	C	C	.	.			trans	-129.5	148.4	171.9	65.3	165.3	178.9	0	0	112	Q438 G440 I442 Y452 W453 H485	M436-Q438 VanDerWaalsContact C-N 3.26Å; M436-Q438 WeakPolarHBondContact CE-O 3.42Å; M436-Q438 PolarHBondContact O-N 2.89Å; M436-Q438 HydrophobicContact SD-CB 4.43Å; M436-G440 VanDerWaalsContact CE-C 3.5Å; M436-G440 WeakPolarHBondContact CE-O 3.49Å; M436-I442 HydrophobicContact CE-CD1 4.42Å; M436-I442 HydrophobicContact CE-CG1 4.07Å; M436-I442 HydrophobicContact CE-CG2 4.44Å; M436-I442 HydrophobicContact SD-CD1 3.84Å; M436-I442 HydrophobicContact SD-CG1 3.92Å; M436-Y452 HydrophobicContact CB-CD1 4.46Å; M436-W453 WeakPolarHBondContact CG-O 3.25Å; M436-W453 PolarHBondContact N-O 2.84Å; M436-H485 PolarHBondContact O-NE2 3.28Å
437	P	92.6	Very high	89.9	Confident	100 Å²	100	39.7 Å²	39.7	65%	0.649	23%	0.227	S	C	*	.	S	Bend	trans	-71.8	-17.9	-176	26.9	-33.1	0	0	0	114.1
438	Q	94.6	Very high	88.4	Confident	101 Å²	101	41.1 Å²	41.1	47%	0.472	24%	0.242	S	C	.	.	S	Bend	trans	-88.6	152	178.3	-58.5	83.5	5.3	0	0	111.2	M436 G454 P455	M436-Q438 VanDerWaalsContact C-N 3.26Å; M436-Q438 WeakPolarHBondContact CE-O 3.42Å; M436-Q438 PolarHBondContact O-N 2.89Å; M436-Q438 HydrophobicContact SD-CB 4.43Å; Q438-G454 WeakPolarHBondContact O-CA 3.34Å; Q438-P455 WeakPolarHBondContact O-CD 3.44Å
439	N	95.9	Very high	87.5	Confident	112 Å²	112	41.3 Å²	41.3	60%	0.599	25%	0.246	S	C	*	.	S	Bend	trans	-65.3	157.5	173.8	-70.5	11.6	0	0	0	112.2	P455 D456	N439-P455 VanDerWaalsContact OD1-CG 3.25Å; N439-P455 WeakPolarHBondContact OD1-CG 3.49Å; N439-D456 VanDerWaalsContact CA-OD1 3.26Å; N439-D456 WeakPolarHBondContact CA-OD1 3.42Å; N439-D456 HydrophobicContact CB-CB 4.37Å
440	G	94.4	Very high	87.2	Confident	23 Å²	23	41.9 Å²	41.9	24%	0.237	25%	0.253	C	S	.	.	S	Bend	trans	100.1	-173.4	175.8	0	0	0	0	0	113.9	M436 W453 G454 D456	M436-G440 VanDerWaalsContact CE-C 3.5Å; M436-G440 WeakPolarHBondContact CE-O 3.49Å; G440-W453 CarbonylContact O-C 3.5Å; G440-G454 PolarHBondContact O-N 3.42Å; G440-D456 VanDerWaalsContact N-CG 3.32Å; G440-D456 PolarHBondContact N-OD1 2.84Å; G440-D456 PolarHBondContact N-OD2 3.06Å
441	C	93.8	Very high	87	Confident	38 Å²	38	42.5 Å²	42.5	26%	0.257	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	119	-179.7	-167.1	0	0	0	0	108	D295 C451 Y452 V457	D295-C441 HydrophobicContact CB-CB 4.15Å; C441-C451 PolarHBondContact SG-SG 3.42Å; C441-Y452 CarbonylContact C-O 3.3Å; C441-Y452 WeakPolarHBondContact CA-O 3.33Å; C441-V457 HydrophobicContact CB-CG2 4.29Å
442	I	92.5	Very high	86.9	Confident	96 Å²	96	44.7 Å²	44.7	49%	0.492	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.3	-176.6	63.4	174.3	0	0	0	110.8	M436 N444 C451 Y452	M436-I442 HydrophobicContact CE-CD1 4.42Å; M436-I442 HydrophobicContact CE-CG1 4.07Å; M436-I442 HydrophobicContact CE-CG2 4.44Å; M436-I442 HydrophobicContact SD-CD1 3.84Å; M436-I442 HydrophobicContact SD-CG1 3.92Å; I442-N444 PolarHBondContact O-N 3.36Å; I442-C451 CarbonylContact O-C 3.46Å; I442-C451 WeakPolarHBondContact O-CA 3.42Å; I442-C451 WeakPolarHBondContact O-CB 3.4Å; I442-Y452 HydrophobicContact CD1-CD2 4.37Å; I442-Y452 HydrophobicContact CG1-CD2 4.17Å; I442-Y452 HydrophobicContact CG1-CG 4.44Å; I442-Y452 PolarHBondContact N-O 3Å; I442-Y452 PolarHBondContact O-N 3.03Å
443	S	85.9	Confident	87.1	Confident	88 Å²	88	44.3 Å²	44.3	62%	0.615	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	138.3	178.9	-170.2	0	0	0	0	111.6	E445	S443-E445 PolarHBondContact O-N 3.19Å; S443-E445 VanDerWaalsContact O-N 3.08Å
444	N	82.5	Confident	87.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.264	C	S	.	.			trans	-84.9	81	178	-171.1	-12.6	0	0	0	110.1	D434 I442 V446 R447 G448 G450 Y452	D434-N444 PolarHBondContact OD2-ND2 3.11Å; I442-N444 PolarHBondContact O-N 3.36Å; N444-V446 PolarHBondContact O-N 3.38Å; N444-V446 PolarHBondContact OD1-N 3.09Å; N444-R447 WeakPolarHBondContact ND2-CG 3.49Å; N444-R447 PolarHBondContact OD1-N 3.36Å; N444-G448 WeakPolarHBondContact O-CA 3.28Å; N444-G448 PolarHBondContact O-N 3.21Å; N444-G450 PolarHBondContact N-O 2.86Å; N444-Y452 HydrophobicContact CB-CD2 4.02Å; N444-Y452 HydrophobicContact CB-CE2 3.83Å; N444-Y452 VanDerWaalsContact CG-CZ 3.43Å; N444-Y452 WeakPolarHBondContact OD1-CE2 3.28Å; N444-Y452 PolarHBondContact OD1-OH 2.86Å
445	E	74.1	Confident	87.4	Confident	144 Å²	144	45.5 Å²	45.5	67%	0.673	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.4	177.7	-63.5	-175.1	179.1	0	0	112.7	Q56 S443	Q56-E445 PolarHBondContact NE2-O 3.34Å; S443-E445 PolarHBondContact O-N 3.19Å; S443-E445 VanDerWaalsContact O-N 3.08Å
446	V	70.7	Confident	87.5	Confident	71 Å²	71	47.4 Å²	47.4	43%	0.43	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-42.5	-174.3	-175.8	0	0	0	0	111.3	Y52 Q56 N444 Y452	Y52-V446 HydrophobicContact CD2-CG1 3.67Å; Y52-V446 HydrophobicContact CG-CG1 4.19Å; Q56-V446 WeakPolarHBondContact CB-O 3.39Å; N444-V446 PolarHBondContact O-N 3.38Å; N444-V446 PolarHBondContact OD1-N 3.09Å; V446-Y452 WeakPolarHBondContact CB-OH 2.97Å; V446-Y452 HydrophobicContact CG2-CE2 4.49Å
447	R	70.5	Confident	87.6	Confident	2 Å²	2	47 Å²	47	1%	0.008	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-21.9	171.9	-64.9	-166.5	-173.6	-111.6	24.7	113.2	Y52 E55 Q56 I59 D434 N444 G449 H474	Y52-R447 HydrophobicContact CD1-CG 4.45Å; Y52-R447 HydrophobicContact CG-CG 4.38Å; Y52-R447 PolarHBondContact OH-NH2 3.39Å; Y52-R447 VanDerWaalsContact OH-NH2 3.15Å; E55-R447 CarbonylContact C-O 3.59Å; E55-R447 IonicContact OE1-NH1 3.38Å; E55-R447 PolarHBondContact OE1-NH1 3.44Å; E55-R447 WeakPolarHBondContact OE2-CD 3.29Å; E55-R447 IonicContact OE2-CZ 2.87Å; E55-R447 IonicContact OE2-NE 3.41Å; E55-R447 IonicContact OE2-NH1 3.44Å; E55-R447 PolarHBondContact OE2-NH1 2.94Å; Q56-R447 VanDerWaalsContact CA-O 3.28Å; Q56-R447 WeakPolarHBondContact CA-O 3.35Å; Q56-R447 PolarHBondContact N-O 3.32Å; I59-R447 WeakPolarHBondContact CD1-O 3.23Å; D434-R447 IonicContact OD1-NH2 3.21Å; D434-R447 PolarHBondContact OD1-NH2 2.97Å; D434-R447 WeakPolarHBondContact OD2-CD 3.07Å; D434-R447 IonicContact OD2-CZ 3.27Å; D434-R447 IonicContact OD2-NE 3.62Å; D434-R447 PolarHBondContact OD2-NE 2.73Å; D434-R447 IonicContact OD2-NH2 3.6Å; D434-R447 PolarHBondContact OD2-NH2 2.88Å; N444-R447 WeakPolarHBondContact ND2-CG 3.49Å; N444-R447 PolarHBondContact OD1-N 3.36Å; R447-G449 VanDerWaalsContact C-N 3.32Å; R447-H474 PolarHBondContact NE-NE2 3.17Å; R447-H474 PolarHBondContact NH2-CD2 2.87Å; R447-H474 PolarHBondContact NH2-NE2 2.97Å
448	G	61.7	Low	87.9	Confident	31 Å²	31	42.3 Å²	42.3	32%	0.32	25%	0.249	S	C	.	.	S	Bend	trans	82.9	2.8	-177.8	0	0	0	0	0	114.5	I59 N444	I59-G448 WeakPolarHBondContact CD1-O 3.43Å; N444-G448 WeakPolarHBondContact O-CA 3.28Å; N444-G448 PolarHBondContact O-N 3.21Å
449	G	70.3	Confident	88	Confident	17 Å²	17	44.5 Å²	44.5	18%	0.175	26%	0.26	C	S	.	.	S	Bend	trans	-152.5	149.7	177.9	0	0	0	0	0	111.5	R447	R447-G449 VanDerWaalsContact C-N 3.32Å
450	G	85.9	Confident	88.1	Confident	17 Å²	17	45 Å²	45	18%	0.175	26%	0.258	C	S	.	.	S	Bend	trans	76.3	-164	-175.6	0	0	0	0	0	114.2	N433 N444	N433-G450 WeakPolarHBondContact OD1-CA 3.27Å; N444-G450 PolarHBondContact N-O 2.86Å
451	C	91.2	Very high	88.3	Confident	13 Å²	13	44 Å²	44	9%	0.088	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.8	178.6	66.8	0	0	0	0	112.2	S294 N433 D434 C441 I442	S294-C451 VanDerWaalsContact CB-SG 3.52Å; N433-C451 VanDerWaalsContact CA-O 3.32Å; N433-C451 WeakPolarHBondContact CA-O 3.39Å; N433-C451 VanDerWaalsContact CB-O 3.32Å; N433-C451 WeakPolarHBondContact CB-O 3.41Å; N433-C451 VanDerWaalsContact CG-SG 3.51Å; N433-C451 PolarHBondContact ND2-SG 3.31Å; N433-C451 PolarHBondContact OD1-N 2.99Å; D434-C451 PolarHBondContact N-O 2.84Å; D434-C451 VanDerWaalsContact N-O 3.13Å; C441-C451 PolarHBondContact SG-SG 3.42Å; I442-C451 CarbonylContact O-C 3.46Å; I442-C451 WeakPolarHBondContact O-CA 3.42Å; I442-C451 WeakPolarHBondContact O-CB 3.4Å
452	Y	94.3	Very high	88.5	Confident	45 Å²	45	42.2 Å²	42.2	18%	0.176	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.1	160.8	-65.4	-74.5	0	0	0	110.3	D434 M436 C441 I442 N444 V446	D434-Y452 HydrophobicContact CB-CD1 3.83Å; D434-Y452 HydrophobicContact CB-CE1 3.82Å; D434-Y452 CarbonylContact O-C 3.55Å; D434-Y452 WeakPolarHBondContact O-CA 3.32Å; M436-Y452 HydrophobicContact CB-CD1 4.46Å; C441-Y452 CarbonylContact C-O 3.3Å; C441-Y452 WeakPolarHBondContact CA-O 3.33Å; I442-Y452 HydrophobicContact CD1-CD2 4.37Å; I442-Y452 HydrophobicContact CG1-CD2 4.17Å; I442-Y452 HydrophobicContact CG1-CG 4.44Å; I442-Y452 PolarHBondContact N-O 3Å; I442-Y452 PolarHBondContact O-N 3.03Å; N444-Y452 HydrophobicContact CB-CD2 4.02Å; N444-Y452 HydrophobicContact CB-CE2 3.83Å; N444-Y452 VanDerWaalsContact CG-CZ 3.43Å; N444-Y452 WeakPolarHBondContact OD1-CE2 3.28Å; N444-Y452 PolarHBondContact OD1-OH 2.86Å; V446-Y452 WeakPolarHBondContact CB-OH 2.97Å; V446-Y452 HydrophobicContact CG2-CE2 4.49Å
453	W	97.4	Very high	88.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.4	177.9	84.4	91.9	0	0	0	112.9	I293 N433 D434 P435 M436 G440 V457 T458 L470 H485 V489	I293-W453 HydrophobicContact CG1-CD2 4.01Å; I293-W453 HydrophobicContact CG1-CG 4.09Å; I293-W453 HydrophobicContact CG1-CZ2 4.26Å; N433-W453 VanDerWaalsContact C-CZ3 3.45Å; N433-W453 HydrophobicContact CB-CE3 3.81Å; N433-W453 HydrophobicContact CB-CZ3 3.78Å; D434-W453 VanDerWaalsContact N-CZ3 3.32Å; D434-W453 WeakPolarHBondContact O-CZ3 3.26Å; D434-W453 PolarHBondContact O-N 3.04Å; P435-W453 CarbonylContact C-O 3.58Å; P435-W453 HydrophobicContact CB-CD2 4.41Å; P435-W453 HydrophobicContact CB-CH2 3.92Å; P435-W453 HydrophobicContact CB-CZ2 3.68Å; P435-W453 HydrophobicContact CB-CZ3 4.4Å; P435-W453 VanDerWaalsContact CD-CH2 3.46Å; P435-W453 HydrophobicContact CG-CH2 4.09Å; P435-W453 HydrophobicContact CG-CZ2 4.25Å; M436-W453 WeakPolarHBondContact CG-O 3.25Å; M436-W453 PolarHBondContact N-O 2.84Å; G440-W453 CarbonylContact O-C 3.5Å; W453-V457 HydrophobicContact CB-CB 4.25Å; W453-V457 HydrophobicContact CB-CG1 4.09Å; W453-V457 HydrophobicContact CG-CG1 4.4Å; W453-T458 VanDerWaalsContact CD1-OG1 3.31Å; W453-T458 PolarHBondContact NE1-OG1 2.96Å; W453-L470 HydrophobicContact CZ2-CD2 3.93Å; W453-H485 AromaticContact CD1-CE1 3.73Å; W453-H485 AromaticContact NE1-CE1 3.42Å; W453-H485 PolarHBondContact NE1-CE1 2.97Å; W453-H485 AromaticContact NE1-ND1 3.62Å; W453-H485 PolarHBondContact O-CE1 2.89Å; W453-H485 VanDerWaalsContact O-CE1 3.24Å; W453-V489 HydrophobicContact CZ2-CG1 4.07Å; W453-V489 HydrophobicContact CZ2-CG2 4.44Å
454	G	97.8	Very high	89.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.234	C	C	.	.			trans	-90.2	177.8	-178	0	0	0	0	0	115.9	Q438 G440 D456 V457 T458 H485	Q438-G454 WeakPolarHBondContact O-CA 3.34Å; G440-G454 PolarHBondContact O-N 3.42Å; G454-D456 VanDerWaalsContact C-N 3.3Å; G454-D456 PolarHBondContact O-N 3.28Å; G454-V457 PolarHBondContact O-N 2.91Å; G454-T458 PolarHBondContact O-N 2.99Å; G454-T458 PolarHBondContact O-OG1 2.93Å; G454-H485 VanDerWaalsContact C-CE1 3.47Å; G454-H485 PolarHBondContact O-CE1 2.66Å
455	P	98.1	Very high	89.9	Confident	26 Å²	26	43.3 Å²	43.3	17%	0.169	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-27.7	176.9	27.5	-34	0	0	0	113.4	Q438 N439 T458 E459 H485	Q438-P455 WeakPolarHBondContact O-CD 3.44Å; N439-P455 VanDerWaalsContact OD1-CG 3.25Å; N439-P455 WeakPolarHBondContact OD1-CG 3.49Å; P455-T458 WeakPolarHBondContact O-CB 3.23Å; P455-T458 PolarHBondContact O-N 3.34Å; P455-E459 PolarHBondContact O-N 2.99Å; P455-H485 HydrophobicContact CB-CB 3.91Å
456	D	97.9	Very high	91	Very high	58 Å²	58	41.8 Å²	41.8	31%	0.31	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-48.3	173.4	57	-30.3	0	0	0	112.1	N439 G440 G454 T458 E459 E460	N439-D456 VanDerWaalsContact CA-OD1 3.26Å; N439-D456 WeakPolarHBondContact CA-OD1 3.42Å; N439-D456 HydrophobicContact CB-CB 4.37Å; G440-D456 VanDerWaalsContact N-CG 3.32Å; G440-D456 PolarHBondContact N-OD1 2.84Å; G440-D456 PolarHBondContact N-OD2 3.06Å; G454-D456 VanDerWaalsContact C-N 3.3Å; G454-D456 PolarHBondContact O-N 3.28Å; D456-T458 PolarHBondContact O-N 3.38Å; D456-E459 PolarHBondContact O-N 3.01Å; D456-E459 VanDerWaalsContact O-N 3.17Å; D456-E460 PolarHBondContact O-N 3.46Å
457	V	97.9	Very high	92.3	Very high	5 Å²	5	39 Å²	39	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-38	174.9	175.1	0	0	0	0	111	I293 S294 D295 C441 W453 G454 E460 V461	I293-V457 HydrophobicContact CD1-CG1 4.44Å; S294-V457 VanDerWaalsContact C-CG1 3.4Å; D295-V457 HydrophobicContact CB-CG2 4.41Å; C441-V457 HydrophobicContact CB-CG2 4.29Å; W453-V457 HydrophobicContact CB-CB 4.25Å; W453-V457 HydrophobicContact CB-CG1 4.09Å; W453-V457 HydrophobicContact CG-CG1 4.4Å; G454-V457 PolarHBondContact O-N 2.91Å; V457-E460 PolarHBondContact O-N 3.05Å; V457-V461 HydrophobicContact CG1-CG2 4.23Å; V457-V461 WeakPolarHBondContact O-CB 3.43Å; V457-V461 WeakPolarHBondContact O-CG2 3.19Å; V457-V461 PolarHBondContact O-N 3.06Å
458	T	98.3	Very high	93.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-44.6	177	-60.3	0	0	0	0	111.9	W453 G454 P455 D456 L462 H485 R488 V489	W453-T458 VanDerWaalsContact CD1-OG1 3.31Å; W453-T458 PolarHBondContact NE1-OG1 2.96Å; G454-T458 PolarHBondContact O-N 2.99Å; G454-T458 PolarHBondContact O-OG1 2.93Å; P455-T458 WeakPolarHBondContact O-CB 3.23Å; P455-T458 PolarHBondContact O-N 3.34Å; D456-T458 PolarHBondContact O-N 3.38Å; T458-L462 HydrophobicContact CG2-CD1 3.72Å; T458-L462 HydrophobicContact CG2-CG 4.24Å; T458-L462 VanDerWaalsContact O-CB 3.26Å; T458-L462 WeakPolarHBondContact O-CB 3.34Å; T458-L462 WeakPolarHBondContact O-CG 3.48Å; T458-L462 PolarHBondContact O-N 3.34Å; T458-H485 HydrophobicContact CG2-CB 4.28Å; T458-H485 PolarHBondContact OG1-ND1 2.85Å; T458-R488 HydrophobicContact CG2-CB 3.89Å; T458-V489 HydrophobicContact CG2-CG2 3.53Å
459	E	97.8	Very high	95.3	Very high	148 Å²	148	42.6 Å²	42.6	69%	0.692	23%	0.229	S	C	*	.	H	α-helix	trans	-63.4	-44.1	178.3	-174.1	166.5	-159.3	0	0	111.2	P455 D456 G463	P455-E459 PolarHBondContact O-N 2.99Å; D456-E459 PolarHBondContact O-N 3.01Å; D456-E459 VanDerWaalsContact O-N 3.17Å; E459-G463 WeakPolarHBondContact O-CA 3.29Å; E459-G463 PolarHBondContact O-N 3.34Å
460	E	97.8	Very high	96.6	Very high	122 Å²	122	41.8 Å²	41.8	57%	0.57	22%	0.221	S	C	*	.	H	α-helix	trans	-62	-54.1	178.1	-175.4	178.4	173.8	0	0	112.4	D456 V457 G463 K464	D456-E460 PolarHBondContact O-N 3.46Å; V457-E460 PolarHBondContact O-N 3.05Å; E460-G463 PolarHBondContact O-N 2.82Å; E460-K464 WeakPolarHBondContact O-CB 3.44Å; E460-K464 PolarHBondContact O-N 3.4Å
461	V	97.4	Very high	97.3	Very high	3 Å²	3	41 Å²	41	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-43.8	-175.9	173.7	0	0	0	0	111.4	I293 S294 T297 V457 G463 K464 H465	I293-V461 HydrophobicContact CB-CG1 4.5Å; I293-V461 HydrophobicContact CD1-CB 3.85Å; I293-V461 HydrophobicContact CD1-CG1 4.05Å; I293-V461 HydrophobicContact CD1-CG2 4.13Å; I293-V461 HydrophobicContact CG2-CG1 4.33Å; S294-V461 WeakPolarHBondContact O-CG2 3.26Å; T297-V461 HydrophobicContact CG2-CG1 4.1Å; V457-V461 HydrophobicContact CG1-CG2 4.23Å; V457-V461 WeakPolarHBondContact O-CB 3.43Å; V457-V461 WeakPolarHBondContact O-CG2 3.19Å; V457-V461 PolarHBondContact O-N 3.06Å; V461-G463 VanDerWaalsContact C-N 3.32Å; V461-G463 PolarHBondContact O-N 3.48Å; V461-K464 PolarHBondContact O-N 2.67Å; V461-H465 PolarHBondContact O-CD2 2.82Å; V461-H465 PolarHBondContact O-N 2.83Å; V461-H465 VanDerWaalsContact O-N 3.17Å
462	L	98.1	Very high	97.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-36.1	176.9	-64	-178.1	0	0	0	111.3	T458 N466 L467 L470 R488	T458-L462 HydrophobicContact CG2-CD1 3.72Å; T458-L462 HydrophobicContact CG2-CG 4.24Å; T458-L462 VanDerWaalsContact O-CB 3.26Å; T458-L462 WeakPolarHBondContact O-CB 3.34Å; T458-L462 WeakPolarHBondContact O-CG 3.48Å; T458-L462 PolarHBondContact O-N 3.34Å; L462-N466 PolarHBondContact O-N 2.94Å; L462-L467 HydrophobicContact CB-CB 4.17Å; L462-L467 HydrophobicContact CD2-CB 3.56Å; L462-L467 HydrophobicContact CD2-CD1 3.84Å; L462-L467 HydrophobicContact CD2-CG 4.38Å; L462-L467 HydrophobicContact CG-CB 4.44Å; L462-L467 PolarHBondContact O-N 2.91Å; L462-L470 HydrophobicContact CD2-CB 4.3Å; L462-R488 HydrophobicContact CD1-CB 4.07Å
463	G	97.5	Very high	97.8	Very high	53 Å²	53	38.2 Å²	38.2	55%	0.546	20%	0.2	S	C	.	.	H	α-helix	trans	-62.9	-50.8	173.9	0	0	0	0	0	112.3	E459 E460 V461 H465 N466	E459-G463 WeakPolarHBondContact O-CA 3.29Å; E459-G463 PolarHBondContact O-N 3.34Å; E460-G463 PolarHBondContact O-N 2.82Å; V461-G463 VanDerWaalsContact C-N 3.32Å; V461-G463 PolarHBondContact O-N 3.48Å; G463-H465 VanDerWaalsContact C-N 3.27Å; G463-H465 PolarHBondContact O-N 2.65Å; G463-N466 PolarHBondContact O-N 2.87Å; G463-N466 VanDerWaalsContact O-N 3.14Å
464	K	96.9	Very high	97.8	Very high	119 Å²	119	38.8 Å²	38.8	52%	0.517	20%	0.202	S	C	.	.	H	α-helix	trans	-53.3	-43	178.2	179.5	-177	171.5	-170.5	0	112.1	D298 E460 V461	D298-K464 IonicContact OD2-NZ 3.16Å; D298-K464 PolarHBondContact OD2-NZ 3.17Å; E460-K464 WeakPolarHBondContact O-CB 3.44Å; E460-K464 PolarHBondContact O-N 3.4Å; V461-K464 PolarHBondContact O-N 2.67Å
465	H	96.4	Very high	97.6	Very high	34 Å²	34	39.6 Å²	39.6	16%	0.157	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	11.2	-177	-65.3	-69.1	0	0	0	114.3	L299 V461 G463 L467	L299-H465 HydrophobicContact CD1-CB 3.93Å; L299-H465 PolarHBondContact N-CE1 2.89Å; L299-H465 PolarHBondContact N-NE2 2.86Å; V461-H465 PolarHBondContact O-CD2 2.82Å; V461-H465 PolarHBondContact O-N 2.83Å; V461-H465 VanDerWaalsContact O-N 3.17Å; G463-H465 VanDerWaalsContact C-N 3.27Å; G463-H465 PolarHBondContact O-N 2.65Å; H465-L467 VanDerWaalsContact C-N 3.27Å; H465-L467 HydrophobicContact CB-CD1 3.91Å; H465-L467 HydrophobicContact CB-CG 4.09Å; H465-L467 PolarHBondContact O-N 3.44Å
466	N	96.8	Very high	97.4	Very high	113 Å²	113	38.7 Å²	38.7	60%	0.604	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	36.9	178.5	-168.4	19.9	0	0	0	114.5	K285 L462 G463	K285-N466 WeakPolarHBondContact CD-O 3.44Å; K285-N466 PolarHBondContact NZ-ND2 3.35Å; K285-N466 PolarHBondContact NZ-O 3.37Å; K285-N466 PolarHBondContact NZ-OD1 2.95Å; L462-N466 PolarHBondContact O-N 2.94Å; G463-N466 PolarHBondContact O-N 2.87Å; G463-N466 VanDerWaalsContact O-N 3.14Å
467	L	97.9	Very high	97.1	Very high	11 Å²	11	37 Å²	37	6%	0.058	19%	0.191	C	C	.	.			trans	-96.8	156.4	179.8	-62.9	168	0	0	0	111.7	V281 L287 L299 L462 H465 R488	V281-L467 HydrophobicContact CG1-CD2 4.45Å; L287-L467 HydrophobicContact CB-CD1 3.7Å; L287-L467 HydrophobicContact CB-CD2 4.36Å; L287-L467 HydrophobicContact CD2-CD1 4Å; L287-L467 HydrophobicContact CG-CD1 4.42Å; L299-L467 HydrophobicContact CD1-CD1 3.93Å; L462-L467 HydrophobicContact CB-CB 4.17Å; L462-L467 HydrophobicContact CD2-CB 3.56Å; L462-L467 HydrophobicContact CD2-CD1 3.84Å; L462-L467 HydrophobicContact CD2-CG 4.38Å; L462-L467 HydrophobicContact CG-CB 4.44Å; L462-L467 PolarHBondContact O-N 2.91Å; H465-L467 VanDerWaalsContact C-N 3.27Å; H465-L467 HydrophobicContact CB-CD1 3.91Å; H465-L467 HydrophobicContact CB-CG 4.09Å; H465-L467 PolarHBondContact O-N 3.44Å; L467-R488 PolarHBondContact O-NH2 3.26Å
468	Q	97.1	Very high	96.7	Very high	95 Å²	95	38.7 Å²	38.7	44%	0.444	20%	0.198	S	C	.	.	S	Bend	trans	-109.3	-33	-179.1	-71.8	172.1	5.1	0	0	113.1	K285 R488	K285-Q468 HydrophobicContact CB-CB 4.48Å; K285-Q468 HydrophobicContact CB-CG 4.37Å; K285-Q468 HydrophobicContact CD-CG 4.02Å; K285-Q468 PolarHBondContact O-N 3.21Å; Q468-R488 WeakPolarHBondContact O-CD 3.47Å; Q468-R488 PolarHBondContact O-NE 3.5Å; Q468-R488 PolarHBondContact O-NH1 2.61Å
469	L	98.4	Very high	96.4	Very high	14 Å²	14	41.9 Å²	41.9	7%	0.073	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	137.6	-173.5	179.7	66.6	0	0	0	110.2	K285 V286 L287 I471 F483 L490 M511 P517	K285-L469 PolarHBondContact O-N 2.92Å; V286-L469 WeakPolarHBondContact CA-O 3.24Å; V286-L469 HydrophobicContact CG1-CB 4.23Å; V286-L469 HydrophobicContact CG1-CD2 4.17Å; V286-L469 HydrophobicContact CG1-CG 4.3Å; V286-L469 HydrophobicContact CG2-CB 4.25Å; L287-L469 PolarHBondContact N-O 2.8Å; L469-I471 HydrophobicContact CD2-CD1 4.03Å; L469-I471 HydrophobicContact CD2-CG1 3.86Å; L469-I471 HydrophobicContact CG-CG1 4.04Å; L469-F483 HydrophobicContact CD1-CE1 4.25Å; L469-L490 HydrophobicContact CD1-CB 4.23Å; L469-M511 HydrophobicContact CD2-CE 4.18Å; L469-P517 HydrophobicContact CD2-CG 4.45Å
470	L	98.7	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.3	164.8	179.1	59.8	0	0	0	108.9	L287 V289 I293 W453 L462 R488 V489 L490	L287-L470 HydrophobicContact CB-CD1 4.11Å; L287-L470 HydrophobicContact CD2-CD1 3.82Å; L287-L470 HydrophobicContact CG-CD1 3.83Å; L287-L470 CarbonylContact O-C 3.57Å; L287-L470 WeakPolarHBondContact O-CA 3.38Å; V289-L470 HydrophobicContact CG2-CD1 3.71Å; I293-L470 HydrophobicContact CD1-CD2 4.08Å; I293-L470 HydrophobicContact CG1-CD2 4Å; I293-L470 HydrophobicContact CG2-CD2 4.04Å; W453-L470 HydrophobicContact CZ2-CD2 3.93Å; L462-L470 HydrophobicContact CD2-CB 4.3Å; L470-R488 PolarHBondContact N-O 3.17Å; L470-V489 HydrophobicContact CB-CG2 4.23Å; L470-V489 HydrophobicContact CD2-CG1 4.31Å; L470-V489 HydrophobicContact CD2-CG2 4.16Å; L470-V489 HydrophobicContact CG-CG1 4.49Å; L470-V489 CarbonylContact O-C 3.57Å; L470-V489 WeakPolarHBondContact O-CA 3.37Å; L470-L490 PolarHBondContact O-N 3.32Å
471	I	98.8	Very high	96.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.2	169.8	-57.7	179.1	0	0	0	108.1	I174 V286 L287 V288 V289 L469 L490 I492 I509 M511	I174-I471 HydrophobicContact CD1-CD1 3.55Å; I174-I471 HydrophobicContact CG2-CG2 4.34Å; V286-I471 HydrophobicContact CG1-CD1 3.54Å; V286-I471 HydrophobicContact CG1-CG1 3.75Å; L287-I471 PolarHBondContact O-N 3.47Å; V288-I471 VanDerWaalsContact CA-O 3.32Å; V288-I471 WeakPolarHBondContact CA-O 3.49Å; V288-I471 HydrophobicContact CG1-CB 4.41Å; V288-I471 HydrophobicContact CG1-CG2 4.43Å; V288-I471 HydrophobicContact CG2-CB 4.24Å; V289-I471 PolarHBondContact N-O 2.96Å; V289-I471 VanDerWaalsContact N-O 3.09Å; L469-I471 HydrophobicContact CD2-CD1 4.03Å; L469-I471 HydrophobicContact CD2-CG1 3.86Å; L469-I471 HydrophobicContact CG-CG1 4.04Å; I471-L490 CarbonylContact C-O 3.59Å; I471-L490 WeakPolarHBondContact CA-O 3.38Å; I471-L490 HydrophobicContact CD1-CD2 4.43Å; I471-L490 HydrophobicContact CG1-CB 4.38Å; I471-L490 HydrophobicContact CG1-CD2 4.23Å; I471-I492 HydrophobicContact CG2-CG2 3.88Å; I471-I509 HydrophobicContact CD1-CD1 4.06Å; I471-I509 HydrophobicContact CG2-CD1 3.86Å; I471-M511 HydrophobicContact CD1-CE 3.81Å
472	R	98.7	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	168.4	-178.6	73	74.9	42.7	138.6	11.3	113.3	V289 H290 G291 N433 D434 H474 E475 V489 L490 T491 I492	V289-R472 HydrophobicContact CG2-CB 4.42Å; V289-R472 WeakPolarHBondContact O-CA 3.42Å; V289-R472 WeakPolarHBondContact O-CB 3.44Å; H290-R472 PolarHBondContact O-NE 3.5Å; H290-R472 PolarHBondContact O-NH2 3.12Å; G291-R472 VanDerWaalsContact O-CB 3.3Å; G291-R472 WeakPolarHBondContact O-CB 3.23Å; G291-R472 PolarHBondContact O-NE 3.37Å; G291-R472 PolarHBondContact O-NH2 2.91Å; N433-R472 PolarHBondContact O-NH2 3Å; D434-R472 IonicContact OD1-CZ 2.98Å; D434-R472 IonicContact OD1-NH1 2.77Å; D434-R472 PolarHBondContact OD1-NH1 2.94Å; D434-R472 IonicContact OD1-NH2 3.97Å; R472-H474 VanDerWaalsContact CZ-CB 3.49Å; R472-H474 PolarHBondContact NH2-CD2 2.81Å; R472-E475 VanDerWaalsContact NH1-CG 3.28Å; R472-E475 IonicContact NH1-OE2 3.46Å; R472-E475 PolarHBondContact NH1-OE2 2.85Å; R472-V489 HydrophobicContact CG-CG1 4.16Å; R472-L490 PolarHBondContact N-O 3.1Å; R472-T491 WeakPolarHBondContact CD-OG1 3.36Å; R472-T491 CarbonylContact O-C 3.49Å; R472-T491 VanDerWaalsContact O-CA 3.23Å; R472-T491 WeakPolarHBondContact O-CA 3.46Å; R472-I492 PolarHBondContact O-N 2.87Å
473	S	98.6	Very high	96.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.			trans	-124	-120.5	-177.2	-42.3	0	0	0	0	113.1	G176 D177 N204 H290 E475 T491 I492	G176-S473 WeakPolarHBondContact CA-OG 3.45Å; D177-S473 WeakPolarHBondContact OD1-CB 3.5Å; N204-S473 WeakPolarHBondContact CB-OG 3.49Å; N204-S473 PolarHBondContact ND2-OG 2.82Å; N204-S473 PolarHBondContact O-OG 2.78Å; H290-S473 PolarHBondContact O-N 2.97Å; S473-E475 PolarHBondContact O-N 3.13Å; S473-T491 WeakPolarHBondContact O-CG2 3.5Å; S473-I492 VanDerWaalsContact CA-O 3.27Å; S473-I492 WeakPolarHBondContact CA-O 3.3Å; S473-I492 VanDerWaalsContact CB-O 3.29Å; S473-I492 WeakPolarHBondContact CB-O 3.47Å
474	H	96.6	Very high	96.2	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.056	19%	0.185	C	C	.	.	S	Bend	trans	59.7	-30.6	164.8	-170.1	59.4	0	0	0	118.8	D177 N238 H290 D434 R447 R472	D177-H474 PolarHBondContact OD1-N 2.68Å; D177-H474 WeakPolarHBondContact OD2-CA 3.42Å; D177-H474 PolarHBondContact OD2-N 2.87Å; N238-H474 PolarHBondContact OD1-CE1 3.02Å; N238-H474 PolarHBondContact OD1-ND1 2.77Å; H290-H474 AromaticContact CD2-ND1 3.97Å; H290-H474 WeakPolarHBondContact NE2-CB 3.35Å; H290-H474 AromaticContact NE2-CG 3.6Å; H290-H474 AromaticContact NE2-ND1 3.2Å; H290-H474 PolarHBondContact NE2-ND1 3.07Å; D434-H474 IonicContact OD1-CD2 3.31Å; D434-H474 PolarHBondContact OD1-CD2 3.22Å; R447-H474 PolarHBondContact NE-NE2 3.17Å; R447-H474 PolarHBondContact NH2-CD2 2.87Å; R447-H474 PolarHBondContact NH2-NE2 2.97Å; R472-H474 VanDerWaalsContact CZ-CB 3.49Å; R472-H474 PolarHBondContact NH2-CD2 2.81Å
475	E	94.1	Very high	96.3	Very high	17 Å²	17	33.6 Å²	33.6	8%	0.079	16%	0.163	C	C	.	.	S	Bend	trans	-104.9	118.3	175.6	-77.8	177.5	101.7	0	0	108.3	D434 P435 R472 S473 K477 T491	D434-E475 VanDerWaalsContact OD1-CG 3.27Å; D434-E475 WeakPolarHBondContact OD1-CG 3.31Å; P435-E475 WeakPolarHBondContact CD-OE2 3.41Å; R472-E475 VanDerWaalsContact NH1-CG 3.28Å; R472-E475 IonicContact NH1-OE2 3.46Å; R472-E475 PolarHBondContact NH1-OE2 2.85Å; S473-E475 PolarHBondContact O-N 3.13Å; E475-K477 PolarHBondContact O-N 2.79Å; E475-K477 IonicContact OE1-NZ 3.92Å; E475-K477 PolarHBondContact OE1-NZ 3.23Å; E475-K477 IonicContact OE2-NZ 3.27Å; E475-K477 PolarHBondContact OE2-NZ 3.44Å; E475-T491 HydrophobicContact CB-CG2 4.24Å; E475-T491 WeakPolarHBondContact O-CG2 3.43Å
476	C	93.8	Very high	96.2	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.054	20%	0.195	C	C	.	.			trans	-56.2	133.4	167.8	-168.9	0	0	0	0	109.3	W44 F493 Y498 Y499 N504	W44-C476 HydrophobicContact CH2-CB 4.2Å; W44-C476 WeakPolarHBondContact CH2-SG 3.44Å; W44-C476 HydrophobicContact CZ2-CB 4.02Å; W44-C476 VanDerWaalsContact CZ2-O 3.31Å; W44-C476 WeakPolarHBondContact CZ2-O 3.27Å; C476-F493 HydrophobicContact CB-CD1 4.28Å; C476-F493 HydrophobicContact CB-CD2 4.38Å; C476-F493 HydrophobicContact CB-CE1 3.92Å; C476-F493 HydrophobicContact CB-CE2 4.03Å; C476-F493 HydrophobicContact CB-CG 4.49Å; C476-F493 HydrophobicContact CB-CZ 3.79Å; C476-F493 WeakPolarHBondContact SG-CE1 3.47Å; C476-Y498 HydrophobicContact CB-CD1 4.08Å; C476-Y499 HydrophobicContact CB-CE2 4.23Å; C476-N504 VanDerWaalsContact SG-CG 3.58Å
477	K	92.8	Very high	96.2	Very high	23 Å²	23	43 Å²	43	10%	0.1	20%	0.2	C	C	.	.			trans	-122.3	141.5	174.4	-61.1	-61.2	175.8	178.7	0	109.3	E475 D479 G480 E482 T491	E475-K477 PolarHBondContact O-N 2.79Å; E475-K477 IonicContact OE1-NZ 3.92Å; E475-K477 PolarHBondContact OE1-NZ 3.23Å; E475-K477 IonicContact OE2-NZ 3.27Å; E475-K477 PolarHBondContact OE2-NZ 3.44Å; K477-D479 VanDerWaalsContact C-N 3.28Å; K477-D479 PolarHBondContact O-N 2.96Å; K477-G480 PolarHBondContact O-N 3.3Å; K477-E482 HydrophobicContact CB-CB 4.47Å; K477-E482 HydrophobicContact CD-CB 3.71Å; K477-E482 HydrophobicContact CD-CG 4.49Å; K477-E482 WeakPolarHBondContact CE-OE1 3.37Å; K477-E482 HydrophobicContact CG-CB 3.86Å; K477-E482 IonicContact NZ-OE1 3.32Å; K477-E482 PolarHBondContact NZ-OE1 3.47Å; K477-T491 HydrophobicContact CD-CG2 4.3Å; K477-T491 HydrophobicContact CG-CG2 3.71Å
478	Q	88.6	Confident	96.1	Very high	40 Å²	40	46.8 Å²	46.8	19%	0.187	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-41.2	-173.4	-179.4	173	82	0	0	113.3	R40 W44 N504 R505	R40-Q478 VanDerWaalsContact CD-NE2 3.3Å; R40-Q478 VanDerWaalsContact NH1-CD 3.28Å; R40-Q478 VanDerWaalsContact NH2-CD 3.32Å; W44-Q478 HydrophobicContact CH2-CB 4.41Å; W44-Q478 HydrophobicContact CZ3-CB 4.29Å; Q478-N504 WeakPolarHBondContact O-CA 3.48Å; Q478-R505 PolarHBondContact O-N 3.29Å
479	D	91.9	Very high	96.2	Very high	67 Å²	67	42.2 Å²	42.2	36%	0.358	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7.8	178.6	-80.8	-30.8	0	0	0	112.8	K477 Y481 Q521	K477-D479 VanDerWaalsContact C-N 3.28Å; K477-D479 PolarHBondContact O-N 2.96Å; D479-Y481 PolarHBondContact O-N 3.19Å; D479-Q521 VanDerWaalsContact CB-NE2 3.34Å; D479-Q521 PolarHBondContact O-NE2 3.43Å
480	G	95.7	Very high	96.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	80.4	-5.6	-176	0	0	0	0	0	113.8	K477 F493 R505	K477-G480 PolarHBondContact O-N 3.3Å; G480-F493 PolarHBondContact O-N 3.47Å; G480-R505 WeakPolarHBondContact CA-O 3.4Å; G480-R505 PolarHBondContact N-O 3.12Å
481	Y	97.8	Very high	96.2	Very high	69 Å²	69	41.6 Å²	41.6	27%	0.271	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.4	174.2	71.4	-80.9	0	0	0	111.8	D479 L490 T491 A507 F519 Q521	D479-Y481 PolarHBondContact O-N 3.19Å; Y481-L490 HydrophobicContact CD2-CD1 4.31Å; Y481-T491 CarbonylContact C-O 3.44Å; Y481-T491 WeakPolarHBondContact CA-O 3.39Å; Y481-T491 VanDerWaalsContact CB-O 3.29Å; Y481-T491 WeakPolarHBondContact CB-O 3.44Å; Y481-A507 HydrophobicContact CD1-CB 4.29Å; Y481-F519 HydrophobicContact CD1-CB 4.16Å; Y481-F519 HydrophobicContact CD1-CD1 4.01Å; Y481-F519 HydrophobicContact CD1-CG 4.07Å; Y481-F519 AromaticContact CD2-CD1 3.73Å; Y481-F519 HydrophobicContact CD2-CD1 3.73Å; Y481-F519 HydrophobicContact CD2-CD2 4.13Å; Y481-F519 AromaticContact CD2-CE1 3.67Å; Y481-F519 HydrophobicContact CD2-CE1 3.67Å; Y481-F519 HydrophobicContact CD2-CE2 4.1Å; Y481-F519 AromaticContact CD2-CG 3.95Å; Y481-F519 HydrophobicContact CD2-CG 3.95Å; Y481-F519 AromaticContact CD2-CZ 3.87Å; Y481-F519 HydrophobicContact CD2-CZ 3.87Å; Y481-F519 HydrophobicContact CE1-CB 3.94Å; Y481-F519 HydrophobicContact CE1-CD1 4.42Å; Y481-F519 HydrophobicContact CE1-CD2 4.49Å; Y481-F519 HydrophobicContact CE1-CG 4.02Å; Y481-F519 HydrophobicContact CE2-CD1 4.16Å; Y481-F519 AromaticContact CE2-CD2 3.74Å; Y481-F519 HydrophobicContact CE2-CD2 3.74Å; Y481-F519 HydrophobicContact CE2-CE1 4.25Å; Y481-F519 AromaticContact CE2-CE2 3.87Å; Y481-F519 HydrophobicContact CE2-CE2 3.87Å; Y481-F519 AromaticContact CE2-CG 3.89Å; Y481-F519 HydrophobicContact CE2-CG 3.89Å; Y481-F519 HydrophobicContact CE2-CZ 4.12Å; Y481-F519 AromaticContact CG-CD1 3.65Å; Y481-F519 HydrophobicContact CG-CD1 3.65Å; Y481-F519 AromaticContact CG-CE1 3.93Å; Y481-F519 HydrophobicContact CG-CE1 3.93Å; Y481-F519 HydrophobicContact CG-CG 4.05Å; Y481-F519 AromaticContact CZ-CD2 3.94Å; Y481-F519 AromaticContact CZ-CG 3.93Å; Y481-Q521 HydrophobicContact CD1-CG 4.35Å; Y481-Q521 HydrophobicContact CE1-CG 3.99Å
482	E	97.2	Very high	96.2	Very high	93 Å²	93	41.6 Å²	41.6	44%	0.435	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	139.8	174.5	-176.9	171.7	70.4	0	0	111.4	K477 L490 T491	K477-E482 HydrophobicContact CB-CB 4.47Å; K477-E482 HydrophobicContact CD-CB 3.71Å; K477-E482 HydrophobicContact CD-CG 4.49Å; K477-E482 WeakPolarHBondContact CE-OE1 3.37Å; K477-E482 HydrophobicContact CG-CB 3.86Å; K477-E482 IonicContact NZ-OE1 3.32Å; K477-E482 PolarHBondContact NZ-OE1 3.47Å; E482-L490 WeakPolarHBondContact O-CA 3.23Å; E482-T491 PolarHBondContact N-O 2.85Å; E482-T491 PolarHBondContact O-N 3.12Å
483	F	97.6	Very high	96.2	Very high	64 Å²	64	41.7 Å²	41.7	28%	0.281	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.7	169.3	-82.5	-74.2	0	0	0	111.2	L469 R487 V489 L490 P517 F519	L469-F483 HydrophobicContact CD1-CE1 4.25Å; F483-R487 HydrophobicContact CB-CG 4.24Å; F483-R487 HydrophobicContact CD1-CB 3.9Å; F483-R487 HydrophobicContact CD1-CG 4.34Å; F483-R487 HydrophobicContact CE1-CB 4.28Å; F483-R487 HydrophobicContact CG-CB 4.3Å; F483-R487 HydrophobicContact CG-CG 4.24Å; F483-V489 WeakPolarHBondContact CA-O 3.32Å; F483-L490 HydrophobicContact CD1-CB 3.98Å; F483-L490 HydrophobicContact CD1-CD1 4.04Å; F483-L490 HydrophobicContact CD2-CD1 4.15Å; F483-L490 HydrophobicContact CE1-CB 3.78Å; F483-L490 HydrophobicContact CE1-CD1 3.94Å; F483-L490 HydrophobicContact CE1-CD2 4.13Å; F483-L490 HydrophobicContact CE1-CG 4.18Å; F483-L490 HydrophobicContact CE2-CD1 4.05Å; F483-L490 HydrophobicContact CG-CD1 4.16Å; F483-L490 HydrophobicContact CZ-CB 4.49Å; F483-L490 HydrophobicContact CZ-CD1 3.95Å; F483-L490 HydrophobicContact CZ-CD2 4.07Å; F483-L490 HydrophobicContact CZ-CG 4.41Å; F483-P517 HydrophobicContact CZ-CG 3.84Å; F483-F519 HydrophobicContact CD2-CZ 4.48Å; F483-F519 AromaticContact CE2-CE2 3.73Å; F483-F519 HydrophobicContact CE2-CE2 3.73Å; F483-F519 AromaticContact CE2-CZ 3.5Å; F483-F519 HydrophobicContact CE2-CZ 3.5Å; F483-F519 HydrophobicContact CZ-CE2 4.26Å; F483-F519 AromaticContact CZ-CZ 3.75Å; F483-F519 HydrophobicContact CZ-CZ 3.75Å
484	C	96.5	Very high	96.2	Very high	30 Å²	30	41.7 Å²	41.7	20%	0.203	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	-178.4	167.2	64.6	0	0	0	0	111.1	N486 R487 R488 V489	C484-N486 PolarHBondContact O-N 2.86Å; C484-R487 WeakPolarHBondContact O-CA 3.43Å; C484-R487 PolarHBondContact O-N 2.75Å; C484-R488 PolarHBondContact O-N 2.8Å; C484-V489 PolarHBondContact N-O 3.21Å; C484-V489 PolarHBondContact O-N 3.33Å; C484-V489 VanDerWaalsContact SG-CB 3.59Å
485	H	97.7	Very high	96.2	Very high	16 Å²	16	41.1 Å²	41.1	7%	0.074	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	48.7	57.1	177.7	-55.3	175.4	0	0	0	112.7	M436 W453 G454 P455 T458 R487 R488 V489	M436-H485 PolarHBondContact O-NE2 3.28Å; W453-H485 AromaticContact CD1-CE1 3.73Å; W453-H485 AromaticContact NE1-CE1 3.42Å; W453-H485 PolarHBondContact NE1-CE1 2.97Å; W453-H485 AromaticContact NE1-ND1 3.62Å; W453-H485 PolarHBondContact O-CE1 2.89Å; W453-H485 VanDerWaalsContact O-CE1 3.24Å; G454-H485 VanDerWaalsContact C-CE1 3.47Å; G454-H485 PolarHBondContact O-CE1 2.66Å; P455-H485 HydrophobicContact CB-CB 3.91Å; T458-H485 HydrophobicContact CG2-CB 4.28Å; T458-H485 PolarHBondContact OG1-ND1 2.85Å; H485-R487 VanDerWaalsContact C-N 3.27Å; H485-R487 PolarHBondContact O-N 3.06Å; H485-R488 VanDerWaalsContact O-CB 3.22Å; H485-R488 WeakPolarHBondContact O-CB 3.27Å; H485-R488 WeakPolarHBondContact O-CG 3.07Å; H485-R488 PolarHBondContact O-N 2.82Å; H485-V489 HydrophobicContact CB-CG2 4.04Å
486	N	95.1	Very high	96.2	Very high	152 Å²	152	40.3 Å²	40.3	81%	0.813	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	56.3	37.8	-179.1	-56.3	-39	0	0	0	113.9	C484 R488	C484-N486 PolarHBondContact O-N 2.86Å; N486-R488 PolarHBondContact O-N 3.12Å
487	R	96.1	Very high	96.1	Very high	192 Å²	192	40.7 Å²	40.7	73%	0.725	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	64.7	20.2	-177.3	-54.6	-178.2	170.5	-155.1	-3.2	114.6	F483 C484 H485	F483-R487 HydrophobicContact CB-CG 4.24Å; F483-R487 HydrophobicContact CD1-CB 3.9Å; F483-R487 HydrophobicContact CD1-CG 4.34Å; F483-R487 HydrophobicContact CE1-CB 4.28Å; F483-R487 HydrophobicContact CG-CB 4.3Å; F483-R487 HydrophobicContact CG-CG 4.24Å; C484-R487 WeakPolarHBondContact O-CA 3.43Å; C484-R487 PolarHBondContact O-N 2.75Å; H485-R487 VanDerWaalsContact C-N 3.27Å; H485-R487 PolarHBondContact O-N 3.06Å
488	R	97.6	Very high	95.9	Very high	90 Å²	90	41 Å²	41	34%	0.34	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-15	175.4	-61.5	-74.5	-67	-164.1	0.8	113	T458 L462 L467 Q468 L470 C484 H485 N486	T458-R488 HydrophobicContact CG2-CB 3.89Å; L462-R488 HydrophobicContact CD1-CB 4.07Å; L467-R488 PolarHBondContact O-NH2 3.26Å; Q468-R488 WeakPolarHBondContact O-CD 3.47Å; Q468-R488 PolarHBondContact O-NE 3.5Å; Q468-R488 PolarHBondContact O-NH1 2.61Å; L470-R488 PolarHBondContact N-O 3.17Å; C484-R488 PolarHBondContact O-N 2.8Å; H485-R488 VanDerWaalsContact O-CB 3.22Å; H485-R488 WeakPolarHBondContact O-CB 3.27Å; H485-R488 WeakPolarHBondContact O-CG 3.07Å; H485-R488 PolarHBondContact O-N 2.82Å; N486-R488 PolarHBondContact O-N 3.12Å
489	V	98.6	Very high	95.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.1	173.8	-178.1	0	0	0	0	109	W453 T458 L470 R472 F483 C484 H485	W453-V489 HydrophobicContact CZ2-CG1 4.07Å; W453-V489 HydrophobicContact CZ2-CG2 4.44Å; T458-V489 HydrophobicContact CG2-CG2 3.53Å; L470-V489 HydrophobicContact CB-CG2 4.23Å; L470-V489 HydrophobicContact CD2-CG1 4.31Å; L470-V489 HydrophobicContact CD2-CG2 4.16Å; L470-V489 HydrophobicContact CG-CG1 4.49Å; L470-V489 CarbonylContact O-C 3.57Å; L470-V489 WeakPolarHBondContact O-CA 3.37Å; R472-V489 HydrophobicContact CG-CG1 4.16Å; F483-V489 WeakPolarHBondContact CA-O 3.32Å; C484-V489 PolarHBondContact N-O 3.21Å; C484-V489 PolarHBondContact O-N 3.33Å; C484-V489 VanDerWaalsContact SG-CB 3.59Å; H485-V489 HydrophobicContact CB-CG2 4.04Å
490	L	98.6	Very high	95.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.1	-180	173.4	58.2	0	0	0	109.8	L469 L470 I471 R472 Y481 E482 F483 I509 P517 F519	L469-L490 HydrophobicContact CD1-CB 4.23Å; L470-L490 PolarHBondContact O-N 3.32Å; I471-L490 CarbonylContact C-O 3.59Å; I471-L490 WeakPolarHBondContact CA-O 3.38Å; I471-L490 HydrophobicContact CD1-CD2 4.43Å; I471-L490 HydrophobicContact CG1-CB 4.38Å; I471-L490 HydrophobicContact CG1-CD2 4.23Å; R472-L490 PolarHBondContact N-O 3.1Å; Y481-L490 HydrophobicContact CD2-CD1 4.31Å; E482-L490 WeakPolarHBondContact O-CA 3.23Å; F483-L490 HydrophobicContact CD1-CB 3.98Å; F483-L490 HydrophobicContact CD1-CD1 4.04Å; F483-L490 HydrophobicContact CD2-CD1 4.15Å; F483-L490 HydrophobicContact CE1-CB 3.78Å; F483-L490 HydrophobicContact CE1-CD1 3.94Å; F483-L490 HydrophobicContact CE1-CD2 4.13Å; F483-L490 HydrophobicContact CE1-CG 4.18Å; F483-L490 HydrophobicContact CE2-CD1 4.05Å; F483-L490 HydrophobicContact CG-CD1 4.16Å; F483-L490 HydrophobicContact CZ-CB 4.49Å; F483-L490 HydrophobicContact CZ-CD1 3.95Å; F483-L490 HydrophobicContact CZ-CD2 4.07Å; F483-L490 HydrophobicContact CZ-CG 4.41Å; L490-I509 HydrophobicContact CD2-CD1 3.59Å; L490-I509 HydrophobicContact CD2-CG1 4.47Å; L490-I509 HydrophobicContact CG-CD1 4.29Å; L490-P517 HydrophobicContact CD2-CB 3.85Å; L490-P517 HydrophobicContact CD2-CG 3.97Å; L490-F519 HydrophobicContact CD1-CE1 3.64Å; L490-F519 HydrophobicContact CD1-CZ 3.72Å; L490-F519 HydrophobicContact CD2-CE1 3.65Å; L490-F519 HydrophobicContact CD2-CZ 3.74Å; L490-F519 HydrophobicContact CG-CE1 4.18Å; L490-F519 HydrophobicContact CG-CZ 4.38Å
491	T	98.8	Very high	94.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.4	169.2	-56.9	0	0	0	0	109.9	R472 S473 E475 K477 Y481 E482	R472-T491 WeakPolarHBondContact CD-OG1 3.36Å; R472-T491 CarbonylContact O-C 3.49Å; R472-T491 VanDerWaalsContact O-CA 3.23Å; R472-T491 WeakPolarHBondContact O-CA 3.46Å; S473-T491 WeakPolarHBondContact O-CG2 3.5Å; E475-T491 HydrophobicContact CB-CG2 4.24Å; E475-T491 WeakPolarHBondContact O-CG2 3.43Å; K477-T491 HydrophobicContact CD-CG2 4.3Å; K477-T491 HydrophobicContact CG-CG2 3.71Å; Y481-T491 CarbonylContact C-O 3.44Å; Y481-T491 WeakPolarHBondContact CA-O 3.39Å; Y481-T491 VanDerWaalsContact CB-O 3.29Å; Y481-T491 WeakPolarHBondContact CB-O 3.44Å; E482-T491 PolarHBondContact N-O 2.85Å; E482-T491 PolarHBondContact O-N 3.12Å
492	I	98.6	Very high	93.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.6	174.5	-171.9	64.6	0	0	0	110.4	I471 R472 S473 A507 I509	I471-I492 HydrophobicContact CG2-CG2 3.88Å; R472-I492 PolarHBondContact O-N 2.87Å; S473-I492 VanDerWaalsContact CA-O 3.27Å; S473-I492 WeakPolarHBondContact CA-O 3.3Å; S473-I492 VanDerWaalsContact CB-O 3.29Å; S473-I492 WeakPolarHBondContact CB-O 3.47Å; I492-A507 HydrophobicContact CD1-CB 3.72Å; I492-I509 HydrophobicContact CB-CD1 3.93Å; I492-I509 HydrophobicContact CB-CG1 4.44Å; I492-I509 HydrophobicContact CD1-CD1 4.23Å; I492-I509 HydrophobicContact CD1-CG1 3.8Å; I492-I509 HydrophobicContact CG1-CD1 4Å; I492-I509 HydrophobicContact CG1-CG1 3.98Å; I492-I509 HydrophobicContact CG2-CD1 4.2Å
493	F	98.5	Very high	93.3	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-138.8	122.4	-176.9	-166.3	-98.6	0	0	0	110.1	D177 C476 G480 A495 Y498 G506 A507	D177-F493 HydrophobicContact CB-CD2 3.81Å; D177-F493 HydrophobicContact CB-CE2 3.57Å; D177-F493 HydrophobicContact CB-CZ 4.31Å; D177-F493 WeakPolarHBondContact OD2-CD2 3.34Å; D177-F493 WeakPolarHBondContact OD2-CE2 3.3Å; C476-F493 HydrophobicContact CB-CD1 4.28Å; C476-F493 HydrophobicContact CB-CD2 4.38Å; C476-F493 HydrophobicContact CB-CE1 3.92Å; C476-F493 HydrophobicContact CB-CE2 4.03Å; C476-F493 HydrophobicContact CB-CG 4.49Å; C476-F493 HydrophobicContact CB-CZ 3.79Å; C476-F493 WeakPolarHBondContact SG-CE1 3.47Å; G480-F493 PolarHBondContact O-N 3.47Å; F493-A495 HydrophobicContact CD1-CB 4.06Å; F493-A495 VanDerWaalsContact CD1-O 3.22Å; F493-A495 WeakPolarHBondContact CD1-O 3.23Å; F493-A495 HydrophobicContact CE1-CB 3.36Å; F493-A495 WeakPolarHBondContact CE1-O 3.43Å; F493-A495 HydrophobicContact CZ-CB 3.68Å; F493-Y498 HydrophobicContact CE1-CD1 4.39Å; F493-Y498 HydrophobicContact CE1-CD2 4.34Å; F493-Y498 AromaticContact CE1-CG 3.94Å; F493-Y498 HydrophobicContact CE1-CG 3.94Å; F493-Y498 HydrophobicContact CZ-CD1 4.01Å; F493-Y498 AromaticContact CZ-CD2 3.93Å; F493-Y498 HydrophobicContact CZ-CD2 3.93Å; F493-Y498 HydrophobicContact CZ-CE1 4.37Å; F493-Y498 HydrophobicContact CZ-CE2 4.33Å; F493-Y498 AromaticContact CZ-CG 3.77Å; F493-Y498 HydrophobicContact CZ-CG 3.77Å; F493-G506 WeakPolarHBondContact O-CA 3.22Å; F493-A507 PolarHBondContact O-N 3.45Å
494	S	98.6	Very high	92.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.15	C	C	.	.			trans	-106.3	0.7	-170.2	-62.2	0	0	0	0	113.6	C175 G176 D177 A507 Y522	C175-S494 WeakPolarHBondContact CA-OG 3.28Å; G176-S494 PolarHBondContact N-OG 2.93Å; D177-S494 CarbonylContact O-C 3.1Å; D177-S494 VanDerWaalsContact O-CA 3.27Å; D177-S494 WeakPolarHBondContact O-CA 3.45Å; D177-S494 VanDerWaalsContact O-CB 3.32Å; D177-S494 WeakPolarHBondContact O-CB 3.35Å; D177-S494 PolarHBondContact O-N 2.97Å; D177-S494 VanDerWaalsContact O-N 3.12Å; S494-A507 PolarHBondContact OG-O 2.96Å; S494-Y522 VanDerWaalsContact C-OH 3.29Å; S494-Y522 WeakPolarHBondContact CA-OH 2.76Å; S494-Y522 WeakPolarHBondContact CB-OH 3.44Å; S494-Y522 PolarHBondContact O-OH 3.34Å
495	A	96.6	Very high	92.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.16	C	C	.	.			trans	-89.6	113.5	174	0	0	0	0	0	109.6	D177 F493 Y498 N504	D177-A495 PolarHBondContact O-N 3.08Å; F493-A495 HydrophobicContact CD1-CB 4.06Å; F493-A495 VanDerWaalsContact CD1-O 3.22Å; F493-A495 WeakPolarHBondContact CD1-O 3.23Å; F493-A495 HydrophobicContact CE1-CB 3.36Å; F493-A495 WeakPolarHBondContact CE1-O 3.43Å; F493-A495 HydrophobicContact CZ-CB 3.68Å; A495-Y498 HydrophobicContact CB-CD2 4.21Å; A495-N504 PolarHBondContact O-ND2 3.13Å
496	S	94.6	Very high	92.7	Very high	1 Å²	1	35 Å²	35	1%	0.007	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	151.1	-179.3	82.1	0	0	0	0	111.5	Q181 D184 Y498 G506 A524	Q181-S496 PolarHBondContact NE2-O 2.97Å; Q181-S496 PolarHBondContact OE1-O 3.14Å; D184-S496 WeakPolarHBondContact OD1-CB 3.5Å; D184-S496 PolarHBondContact OD1-OG 3.31Å; D184-S496 PolarHBondContact OD2-N 2.67Å; D184-S496 PolarHBondContact OD2-OG 2.9Å; S496-Y498 PolarHBondContact O-N 3.18Å; S496-G506 VanDerWaalsContact CB-N 3.29Å; S496-A524 PolarHBondContact OG-N 2.86Å
497	N	90.2	Very high	92.9	Very high	16 Å²	16	27.8 Å²	27.8	9%	0.086	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	34.1	-174.5	-54.4	-57.4	0	0	0	113.4	Y499 E500 G502 S503 N504 Q523 A524	N497-Y499 PolarHBondContact O-N 2.85Å; N497-E500 CarbonylContact C-O 3.32Å; N497-E500 WeakPolarHBondContact CA-O 3.21Å; N497-E500 WeakPolarHBondContact CB-O 3.5Å; N497-E500 PolarHBondContact O-N 2.85Å; N497-G502 PolarHBondContact OD1-N 3.4Å; N497-S503 WeakPolarHBondContact CA-OG 3.39Å; N497-N504 PolarHBondContact N-O 2.85Å; N497-N504 PolarHBondContact N-OD1 3.13Å; N497-Q523 PolarHBondContact OD1-NE2 3.28Å; N497-A524 PolarHBondContact ND2-O 2.83Å
498	Y	89.8	Confident	93	Very high	30 Å²	30	18.9 Å²	18.9	12%	0.118	8%	0.084	C	C	.	.	S	Bend	trans	-56.1	-46	-169	175	-114.6	0	0	0	113	E51 H179 R210 C476 F493 A495 S496 N504	E51-Y498 WeakPolarHBondContact OE1-CE1 3.33Å; E51-Y498 PolarHBondContact OE1-OH 3.28Å; H179-Y498 HydrophobicContact CB-CD2 4.42Å; H179-Y498 HydrophobicContact CB-CE2 3.95Å; H179-Y498 AromaticContact CD2-CE2 3.34Å; H179-Y498 WeakPolarHBondContact CD2-CE2 3.22Å; H179-Y498 AromaticContact CD2-CZ 3.87Å; H179-Y498 AromaticContact CG-CE2 3.8Å; R210-Y498 HydrophobicContact CB-CE2 4.22Å; R210-Y498 HydrophobicContact CG-CE2 4.11Å; R210-Y498 VanDerWaalsContact CZ-OH 3.28Å; R210-Y498 PolarHBondContact NH1-OH 3.32Å; C476-Y498 HydrophobicContact CB-CD1 4.08Å; F493-Y498 HydrophobicContact CE1-CD1 4.39Å; F493-Y498 HydrophobicContact CE1-CD2 4.34Å; F493-Y498 AromaticContact CE1-CG 3.94Å; F493-Y498 HydrophobicContact CE1-CG 3.94Å; F493-Y498 HydrophobicContact CZ-CD1 4.01Å; F493-Y498 AromaticContact CZ-CD2 3.93Å; F493-Y498 HydrophobicContact CZ-CD2 3.93Å; F493-Y498 HydrophobicContact CZ-CE1 4.37Å; F493-Y498 HydrophobicContact CZ-CE2 4.33Å; F493-Y498 AromaticContact CZ-CG 3.77Å; F493-Y498 HydrophobicContact CZ-CG 3.77Å; A495-Y498 HydrophobicContact CB-CD2 4.21Å; S496-Y498 PolarHBondContact O-N 3.18Å; Y498-N504 WeakPolarHBondContact CB-OD1 3.31Å; Y498-N504 PolarHBondContact N-OD1 3.02Å
499	Y	83.1	Confident	93	Very high	42 Å²	42	14.6 Å²	14.6	17%	0.165	7%	0.067	C	C	.	.	S	Bend	trans	-84.3	-41.5	176.1	-61.1	-62.2	0	0	0	112.9	W44 F47 E51 C476 N497 S503	W44-Y499 HydrophobicContact CH2-CE2 4.13Å; W44-Y499 HydrophobicContact CZ2-CE2 4.16Å; W44-Y499 HydrophobicContact CZ3-CD2 4.39Å; W44-Y499 HydrophobicContact CZ3-CE2 4.36Å; F47-Y499 HydrophobicContact CB-CD1 3.7Å; F47-Y499 HydrophobicContact CB-CD2 3.77Å; F47-Y499 HydrophobicContact CB-CE1 3.85Å; F47-Y499 HydrophobicContact CB-CE2 3.9Å; F47-Y499 HydrophobicContact CB-CG 3.65Å; F47-Y499 HydrophobicContact CD1-CD1 4.13Å; F47-Y499 HydrophobicContact CD1-CG 4.06Å; F47-Y499 HydrophobicContact CD2-CD2 4.17Å; F47-Y499 HydrophobicContact CD2-CG 4.05Å; F47-Y499 HydrophobicContact CG-CD1 4.01Å; F47-Y499 HydrophobicContact CG-CD2 4.07Å; F47-Y499 AromaticContact CG-CG 3.69Å; F47-Y499 HydrophobicContact CG-CG 3.69Å; E51-Y499 HydrophobicContact CB-CE1 4.46Å; E51-Y499 VanDerWaalsContact OE2-CE1 3.24Å; E51-Y499 WeakPolarHBondContact OE2-CE1 3.47Å; E51-Y499 VanDerWaalsContact OE2-CZ 3.27Å; E51-Y499 PolarHBondContact OE2-OH 2.9Å; C476-Y499 HydrophobicContact CB-CE2 4.23Å; N497-Y499 PolarHBondContact O-N 2.85Å; Y499-S503 PolarHBondContact N-OG 2.64Å
500	E	84.3	Confident	92.9	Very high	41 Å²	41	18.8 Å²	18.8	19%	0.192	8%	0.083	C	C	.	.	S	Bend	trans	-164.9	158.1	-174.6	-175.5	57.6	-98.7	0	0	110	F47 N497 G502 S503 T540 S543	F47-E500 HydrophobicContact CZ-CB 4.28Å; N497-E500 CarbonylContact C-O 3.32Å; N497-E500 WeakPolarHBondContact CA-O 3.21Å; N497-E500 WeakPolarHBondContact CB-O 3.5Å; N497-E500 PolarHBondContact O-N 2.85Å; E500-G502 PolarHBondContact O-N 3.28Å; E500-G502 VanDerWaalsContact O-N 3.13Å; E500-S503 PolarHBondContact N-OG 3.08Å; E500-S503 VanDerWaalsContact O-CB 3.23Å; E500-S503 WeakPolarHBondContact O-CB 3.46Å; E500-S503 PolarHBondContact O-N 3.33Å; E500-S503 PolarHBondContact O-OG 3.28Å; E500-T540 HydrophobicContact CB-CG2 4.44Å; E500-T540 HydrophobicContact CG-CG2 4.46Å; E500-S543 WeakPolarHBondContact OE2-CB 3.26Å; E500-S543 PolarHBondContact OE2-OG 2.95Å
501	V	82.4	Confident	92.8	Very high	49 Å²	49	18.8 Å²	18.8	30%	0.297	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	120.4	173.2	-176.8	0	0	0	0	110.6	C528	V501-C528 HydrophobicContact CG1-CB 4.46Å
502	G	80.1	Confident	92.5	Very high	6 Å²	6	19.1 Å²	19.1	6%	0.062	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	1.4	-178	0	0	0	0	0	115.3	N497 E500 S536	N497-G502 PolarHBondContact OD1-N 3.4Å; E500-G502 PolarHBondContact O-N 3.28Å; E500-G502 VanDerWaalsContact O-N 3.13Å; G502-S536 PolarHBondContact O-OG 3.19Å
503	S	85.3	Confident	92	Very high	8 Å²	8	26.2 Å²	26.2	6%	0.056	12%	0.119	C	C	.	.	S	Bend	trans	-70.2	-60.2	-177.2	53.5	0	0	0	0	113.1	N497 Y499 E500	N497-S503 WeakPolarHBondContact CA-OG 3.39Å; Y499-S503 PolarHBondContact N-OG 2.64Å; E500-S503 PolarHBondContact N-OG 3.08Å; E500-S503 VanDerWaalsContact O-CB 3.23Å; E500-S503 WeakPolarHBondContact O-CB 3.46Å; E500-S503 PolarHBondContact O-N 3.33Å; E500-S503 PolarHBondContact O-OG 3.28Å
504	N	90.7	Very high	91.6	Very high	3 Å²	3	30 Å²	30	2%	0.016	14%	0.14	C	C	.	.			trans	-134.2	159	179.2	72.1	-61.3	0	0	0	112.6	W44 C476 Q478 A495 N497 Y498	W44-N504 HydrophobicContact CH2-CB 3.73Å; W44-N504 HydrophobicContact CZ3-CB 3.75Å; C476-N504 VanDerWaalsContact SG-CG 3.58Å; Q478-N504 WeakPolarHBondContact O-CA 3.48Å; A495-N504 PolarHBondContact O-ND2 3.13Å; N497-N504 PolarHBondContact N-O 2.85Å; N497-N504 PolarHBondContact N-OD1 3.13Å; Y498-N504 WeakPolarHBondContact CB-OD1 3.31Å; Y498-N504 PolarHBondContact N-OD1 3.02Å
505	R	93.1	Very high	91.4	Very high	104 Å²	104	31.1 Å²	31.1	39%	0.392	15%	0.146	S	C	.	.			trans	-85.2	151.5	163.9	-65.8	172.8	176.9	-94.9	-2.9	109.4	Q478 G480 Y522	Q478-R505 PolarHBondContact O-N 3.29Å; G480-R505 WeakPolarHBondContact CA-O 3.4Å; G480-R505 PolarHBondContact N-O 3.12Å; R505-Y522 WeakPolarHBondContact CA-O 3.07Å; R505-Y522 WeakPolarHBondContact CB-O 3.19Å
506	G	96.8	Very high	91.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	154.8	162.1	0	0	0	0	0	109.6	F493 S496 Q521 Y522	F493-G506 WeakPolarHBondContact O-CA 3.22Å; S496-G506 VanDerWaalsContact CB-N 3.29Å; G506-Q521 CarbonylContact O-C 3.53Å; G506-Q521 WeakPolarHBondContact O-CA 3.36Å; G506-Y522 PolarHBondContact N-O 3.19Å; G506-Y522 WeakPolarHBondContact O-CD1 3.4Å; G506-Y522 PolarHBondContact O-N 3.07Å
507	A	98.3	Very high	91.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	157.7	172.1	0	0	0	0	0	111.8	Y481 I492 F493 S494 I520 Q521	Y481-A507 HydrophobicContact CD1-CB 4.29Å; I492-A507 HydrophobicContact CD1-CB 3.72Å; F493-A507 PolarHBondContact O-N 3.45Å; S494-A507 PolarHBondContact OG-O 2.96Å; A507-I520 VanDerWaalsContact CA-O 3.3Å; A507-I520 WeakPolarHBondContact CA-O 3.32Å; A507-Q521 HydrophobicContact CB-CG 4.24Å
508	Y	98.6	Very high	91.6	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.3	163.7	62.3	-92.8	0	0	0	109.5	T173 I174 I188 N192 R510 I520 Y522	T173-Y508 HydrophobicContact CG2-CD2 3.66Å; T173-Y508 HydrophobicContact CG2-CE2 4.33Å; T173-Y508 HydrophobicContact CG2-CG 4.28Å; I174-Y508 WeakPolarHBondContact O-CA 3.48Å; I188-Y508 HydrophobicContact CB-CD1 4.46Å; I188-Y508 HydrophobicContact CG1-CD1 3.93Å; I188-Y508 HydrophobicContact CG1-CE1 4.39Å; I188-Y508 HydrophobicContact CG2-CD1 4.06Å; I188-Y508 HydrophobicContact CG2-CE1 4.29Å; I188-Y508 HydrophobicContact CG2-CG 4.45Å; N192-Y508 HydrophobicContact CB-CE2 3.87Å; N192-Y508 WeakPolarHBondContact CB-OH 3Å; Y508-R510 HydrophobicContact CD2-CG 4.34Å; Y508-R510 HydrophobicContact CE2-CG 4.04Å; Y508-I520 HydrophobicContact CD1-CB 4.29Å; Y508-I520 HydrophobicContact CD2-CB 4.21Å; Y508-I520 HydrophobicContact CD2-CD1 3.92Å; Y508-I520 HydrophobicContact CE1-CB 3.8Å; Y508-I520 HydrophobicContact CE1-CG2 3.77Å; Y508-I520 HydrophobicContact CE2-CB 3.73Å; Y508-I520 HydrophobicContact CE2-CD1 3.53Å; Y508-I520 HydrophobicContact CE2-CG1 3.86Å; Y508-I520 HydrophobicContact CE2-CG2 4.32Å; Y508-I520 HydrophobicContact CG-CB 4.48Å; Y508-I520 VanDerWaalsContact CZ-CB 3.49Å; Y508-I520 PolarHBondContact N-O 3.21Å; Y508-I520 PolarHBondContact O-N 2.93Å; Y508-I520 WeakPolarHBondContact OH-CG2 3.41Å; Y508-Y522 HydrophobicContact CD1-CD1 4.08Å; Y508-Y522 AromaticContact CD1-CE1 3.77Å; Y508-Y522 HydrophobicContact CD1-CE1 3.77Å; Y508-Y522 HydrophobicContact CE1-CD1 4.26Å; Y508-Y522 HydrophobicContact CE1-CE1 4.36Å
509	I	98.3	Very high	91.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.9	179.4	-59.1	163.3	0	0	0	108.6	T173 I174 I471 L490 I492 M511 P517 H518 F519	T173-I509 CarbonylContact C-O 3.56Å; T173-I509 VanDerWaalsContact CA-O 3.23Å; T173-I509 WeakPolarHBondContact CA-O 3.49Å; I174-I509 HydrophobicContact CB-CB 4.17Å; I174-I509 HydrophobicContact CB-CD1 4.48Å; I174-I509 PolarHBondContact N-O 2.8Å; I174-I509 PolarHBondContact O-N 2.73Å; I471-I509 HydrophobicContact CD1-CD1 4.06Å; I471-I509 HydrophobicContact CG2-CD1 3.86Å; L490-I509 HydrophobicContact CD2-CD1 3.59Å; L490-I509 HydrophobicContact CD2-CG1 4.47Å; L490-I509 HydrophobicContact CG-CD1 4.29Å; I492-I509 HydrophobicContact CB-CD1 3.93Å; I492-I509 HydrophobicContact CB-CG1 4.44Å; I492-I509 HydrophobicContact CD1-CD1 4.23Å; I492-I509 HydrophobicContact CD1-CG1 3.8Å; I492-I509 HydrophobicContact CG1-CD1 4Å; I492-I509 HydrophobicContact CG1-CG1 3.98Å; I492-I509 HydrophobicContact CG2-CD1 4.2Å; I509-M511 HydrophobicContact CG2-CB 4.34Å; I509-P517 HydrophobicContact CG2-CB 3.62Å; I509-H518 CarbonylContact C-O 3.54Å; I509-H518 WeakPolarHBondContact CA-O 3.25Å; I509-F519 HydrophobicContact CD1-CE1 4.37Å; I509-F519 HydrophobicContact CG1-CD1 4.03Å; I509-F519 HydrophobicContact CG1-CE1 3.95Å
510	R	96.4	Very high	92.5	Very high	89 Å²	89	40.2 Å²	40.2	34%	0.336	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.8	159.4	-73.9	169.5	66.3	-174.9	-8.5	108.3	E171 I172 N192 Y508 H518 I520	E171-R510 VanDerWaalsContact CD-NH2 3.29Å; E171-R510 IonicContact OE1-NH2 3.27Å; E171-R510 PolarHBondContact OE1-NH2 3.47Å; E171-R510 VanDerWaalsContact OE1-NH2 3.17Å; E171-R510 IonicContact OE2-CZ 3.54Å; E171-R510 IonicContact OE2-NE 3.48Å; E171-R510 PolarHBondContact OE2-NE 3.11Å; E171-R510 IonicContact OE2-NH2 2.75Å; E171-R510 PolarHBondContact OE2-NH2 3.25Å; I172-R510 WeakPolarHBondContact O-CA 3.42Å; N192-R510 WeakPolarHBondContact OD1-CD 3.22Å; Y508-R510 HydrophobicContact CD2-CG 4.34Å; Y508-R510 HydrophobicContact CE2-CG 4.04Å; R510-H518 HydrophobicContact CB-CB 4.38Å; R510-H518 PolarHBondContact N-O 3.46Å; R510-H518 WeakPolarHBondContact O-CB 3.41Å; R510-H518 PolarHBondContact O-N 3.14Å; R510-I520 HydrophobicContact CB-CD1 3.99Å; R510-I520 VanDerWaalsContact CD-CD1 3.44Å; R510-I520 HydrophobicContact CG-CD1 3.63Å
511	M	94.9	Very high	93.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.7	-176.4	-177.8	173.7	-73.2	0	0	109.9	E171 I172 V286 L469 I471 I509 L515 P517	E171-M511 CarbonylContact C-O 3.55Å; E171-M511 VanDerWaalsContact CA-O 3.24Å; E171-M511 WeakPolarHBondContact CA-O 3.16Å; I172-M511 HydrophobicContact CG2-CB 4.02Å; I172-M511 PolarHBondContact N-O 3.23Å; I172-M511 PolarHBondContact O-N 3.07Å; V286-M511 HydrophobicContact CG1-CE 4.45Å; V286-M511 HydrophobicContact CG2-CE 4.41Å; V286-M511 HydrophobicContact CG2-SD 4.02Å; L469-M511 HydrophobicContact CD2-CE 4.18Å; I471-M511 HydrophobicContact CD1-CE 3.81Å; I509-M511 HydrophobicContact CG2-CB 4.34Å; M511-L515 HydrophobicContact CG-CD2 4.31Å; M511-L515 HydrophobicContact SD-CB 4.34Å; M511-L515 HydrophobicContact SD-CD2 3.91Å; M511-P517 HydrophobicContact CE-CB 4.03Å
512	G	92.6	Very high	93.7	Very high	6 Å²	6	39.3 Å²	39.3	6%	0.062	19%	0.189	C	C	.	.			trans	-92	-164.1	176.3	0	0	0	0	0	112.7	D514 L515	G512-D514 PolarHBondContact O-N 2.84Å; G512-L515 PolarHBondContact O-N 3.49Å
513	H	88.9	Confident	94.1	Very high	149 Å²	149	41.3 Å²	41.3	69%	0.69	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-21.6	175.6	63.1	-85.7	0	0	0	113.8	L515	H513-L515 PolarHBondContact O-N 3.5Å
514	D	91	Very high	93.9	Very high	82 Å²	82	42.1 Å²	42.1	44%	0.439	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.2	175.3	65.3	-9.2	0	0	0	113.1	G512 V516	G512-D514 PolarHBondContact O-N 2.84Å; D514-V516 HydrophobicContact CB-CG2 4.17Å; D514-V516 PolarHBondContact O-N 3.36Å; D514-V516 VanDerWaalsContact O-N 3.16Å; D514-V516 PolarHBondContact OD1-N 3.39Å; D514-V516 VanDerWaalsContact OD1-N 3.17Å
515	L	92.8	Very high	93.2	Very high	24 Å²	24	43.7 Å²	43.7	13%	0.126	21%	0.214	C	C	.	.			trans	58	21.5	-177.8	-56.3	177	0	0	0	113.8	I282 N283 K285 V286 M511 G512 H513	I282-L515 HydrophobicContact CG2-CD2 4.29Å; N283-L515 HydrophobicContact CB-CD1 4.18Å; N283-L515 HydrophobicContact CB-CD2 4.02Å; K285-L515 HydrophobicContact CB-CD1 3.59Å; K285-L515 HydrophobicContact CG-CD1 4.08Å; V286-L515 HydrophobicContact CG2-CB 4.29Å; V286-L515 HydrophobicContact CG2-CD1 4.32Å; V286-L515 HydrophobicContact CG2-CD2 4.23Å; M511-L515 HydrophobicContact CG-CD2 4.31Å; M511-L515 HydrophobicContact SD-CB 4.34Å; M511-L515 HydrophobicContact SD-CD2 3.91Å; G512-L515 PolarHBondContact O-N 3.49Å; H513-L515 PolarHBondContact O-N 3.5Å
516	V	93.9	Very high	91.5	Very high	71 Å²	71	49.6 Å²	49.6	43%	0.43	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-86.5	123.5	175.4	-179.1	0	0	0	0	108.6	D514 H518	D514-V516 HydrophobicContact CB-CG2 4.17Å; D514-V516 PolarHBondContact O-N 3.36Å; D514-V516 VanDerWaalsContact O-N 3.16Å; D514-V516 PolarHBondContact OD1-N 3.39Å; D514-V516 VanDerWaalsContact OD1-N 3.17Å; V516-H518 PolarHBondContact O-N 3.48Å
517	P	96	Very high	89.7	Confident	20 Å²	20	53.8 Å²	53.8	13%	0.13	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	119.8	178.6	28.9	-33.2	0	0	0	110.9	L469 F483 L490 I509 M511 F519	L469-P517 HydrophobicContact CD2-CG 4.45Å; F483-P517 HydrophobicContact CZ-CG 3.84Å; L490-P517 HydrophobicContact CD2-CB 3.85Å; L490-P517 HydrophobicContact CD2-CG 3.97Å; I509-P517 HydrophobicContact CG2-CB 3.62Å; M511-P517 HydrophobicContact CE-CB 4.03Å; P517-F519 HydrophobicContact CB-CE1 4.2Å; P517-F519 HydrophobicContact CB-CE2 4.43Å; P517-F519 HydrophobicContact CB-CZ 3.84Å; P517-F519 HydrophobicContact CG-CE2 4.39Å; P517-F519 HydrophobicContact CG-CZ 3.92Å; P517-F519 WeakPolarHBondContact O-CE2 3.34Å
518	H	96.3	Very high	87.7	Confident	95 Å²	95	54.8 Å²	54.8	44%	0.44	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.8	169.8	-61.6	-72.6	0	0	0	110.5	I509 R510 V516 I520	I509-H518 CarbonylContact C-O 3.54Å; I509-H518 WeakPolarHBondContact CA-O 3.25Å; R510-H518 HydrophobicContact CB-CB 4.38Å; R510-H518 PolarHBondContact N-O 3.46Å; R510-H518 WeakPolarHBondContact O-CB 3.41Å; R510-H518 PolarHBondContact O-N 3.14Å; V516-H518 PolarHBondContact O-N 3.48Å; H518-I520 WeakPolarHBondContact O-CD1 3.34Å
519	F	95.9	Very high	85.8	Confident	54 Å²	54	65.3 Å²	65.3	24%	0.237	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132	-175.3	-53.6	-75.8	0	0	0	112.2	Y481 F483 L490 I509 P517	Y481-F519 HydrophobicContact CD1-CB 4.16Å; Y481-F519 HydrophobicContact CD1-CD1 4.01Å; Y481-F519 HydrophobicContact CD1-CG 4.07Å; Y481-F519 AromaticContact CD2-CD1 3.73Å; Y481-F519 HydrophobicContact CD2-CD1 3.73Å; Y481-F519 HydrophobicContact CD2-CD2 4.13Å; Y481-F519 AromaticContact CD2-CE1 3.67Å; Y481-F519 HydrophobicContact CD2-CE1 3.67Å; Y481-F519 HydrophobicContact CD2-CE2 4.1Å; Y481-F519 AromaticContact CD2-CG 3.95Å; Y481-F519 HydrophobicContact CD2-CG 3.95Å; Y481-F519 AromaticContact CD2-CZ 3.87Å; Y481-F519 HydrophobicContact CD2-CZ 3.87Å; Y481-F519 HydrophobicContact CE1-CB 3.94Å; Y481-F519 HydrophobicContact CE1-CD1 4.42Å; Y481-F519 HydrophobicContact CE1-CD2 4.49Å; Y481-F519 HydrophobicContact CE1-CG 4.02Å; Y481-F519 HydrophobicContact CE2-CD1 4.16Å; Y481-F519 AromaticContact CE2-CD2 3.74Å; Y481-F519 HydrophobicContact CE2-CD2 3.74Å; Y481-F519 HydrophobicContact CE2-CE1 4.25Å; Y481-F519 AromaticContact CE2-CE2 3.87Å; Y481-F519 HydrophobicContact CE2-CE2 3.87Å; Y481-F519 AromaticContact CE2-CG 3.89Å; Y481-F519 HydrophobicContact CE2-CG 3.89Å; Y481-F519 HydrophobicContact CE2-CZ 4.12Å; Y481-F519 AromaticContact CG-CD1 3.65Å; Y481-F519 HydrophobicContact CG-CD1 3.65Å; Y481-F519 AromaticContact CG-CE1 3.93Å; Y481-F519 HydrophobicContact CG-CE1 3.93Å; Y481-F519 HydrophobicContact CG-CG 4.05Å; Y481-F519 AromaticContact CZ-CD2 3.94Å; Y481-F519 AromaticContact CZ-CG 3.93Å; F483-F519 HydrophobicContact CD2-CZ 4.48Å; F483-F519 AromaticContact CE2-CE2 3.73Å; F483-F519 HydrophobicContact CE2-CE2 3.73Å; F483-F519 AromaticContact CE2-CZ 3.5Å; F483-F519 HydrophobicContact CE2-CZ 3.5Å; F483-F519 HydrophobicContact CZ-CE2 4.26Å; F483-F519 AromaticContact CZ-CZ 3.75Å; F483-F519 HydrophobicContact CZ-CZ 3.75Å; L490-F519 HydrophobicContact CD1-CE1 3.64Å; L490-F519 HydrophobicContact CD1-CZ 3.72Å; L490-F519 HydrophobicContact CD2-CE1 3.65Å; L490-F519 HydrophobicContact CD2-CZ 3.74Å; L490-F519 HydrophobicContact CG-CE1 4.18Å; L490-F519 HydrophobicContact CG-CZ 4.38Å; I509-F519 HydrophobicContact CD1-CE1 4.37Å; I509-F519 HydrophobicContact CG1-CD1 4.03Å; I509-F519 HydrophobicContact CG1-CE1 3.95Å; P517-F519 HydrophobicContact CB-CE1 4.2Å; P517-F519 HydrophobicContact CB-CE2 4.43Å; P517-F519 HydrophobicContact CB-CZ 3.84Å; P517-F519 HydrophobicContact CG-CE2 4.39Å; P517-F519 HydrophobicContact CG-CZ 3.92Å; P517-F519 WeakPolarHBondContact O-CE2 3.34Å
520	I	97.1	Very high	84	Confident	39 Å²	39	73 Å²	73	20%	0.2	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	103.5	173.4	-57.1	87.1	0	0	0	108.2	A507 Y508 R510 H518	A507-I520 VanDerWaalsContact CA-O 3.3Å; A507-I520 WeakPolarHBondContact CA-O 3.32Å; Y508-I520 HydrophobicContact CD1-CB 4.29Å; Y508-I520 HydrophobicContact CD2-CB 4.21Å; Y508-I520 HydrophobicContact CD2-CD1 3.92Å; Y508-I520 HydrophobicContact CE1-CB 3.8Å; Y508-I520 HydrophobicContact CE1-CG2 3.77Å; Y508-I520 HydrophobicContact CE2-CB 3.73Å; Y508-I520 HydrophobicContact CE2-CD1 3.53Å; Y508-I520 HydrophobicContact CE2-CG1 3.86Å; Y508-I520 HydrophobicContact CE2-CG2 4.32Å; Y508-I520 HydrophobicContact CG-CB 4.48Å; Y508-I520 VanDerWaalsContact CZ-CB 3.49Å; Y508-I520 PolarHBondContact N-O 3.21Å; Y508-I520 PolarHBondContact O-N 2.93Å; Y508-I520 WeakPolarHBondContact OH-CG2 3.41Å; R510-I520 HydrophobicContact CB-CD1 3.99Å; R510-I520 VanDerWaalsContact CD-CD1 3.44Å; R510-I520 HydrophobicContact CG-CD1 3.63Å; H518-I520 WeakPolarHBondContact O-CD1 3.34Å
521	Q	96.1	Very high	82.6	Confident	68 Å²	68	71.5 Å²	71.5	32%	0.318	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	147	179.1	-59.1	175	-78.6	0	0	111.4	D479 Y481 G506 A507	D479-Q521 VanDerWaalsContact CB-NE2 3.34Å; D479-Q521 PolarHBondContact O-NE2 3.43Å; Y481-Q521 HydrophobicContact CD1-CG 4.35Å; Y481-Q521 HydrophobicContact CE1-CG 3.99Å; G506-Q521 CarbonylContact O-C 3.53Å; G506-Q521 WeakPolarHBondContact O-CA 3.36Å; A507-Q521 HydrophobicContact CB-CG 4.24Å
522	Y	93.8	Very high	81.7	Confident	4 Å²	4	75.3 Å²	75.3	2%	0.016	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	173.3	176.5	62.4	-89	0	0	0	111.1	D184 L187 I188 S494 R505 G506 Y508	D184-Y522 HydrophobicContact CB-CE2 3.9Å; D184-Y522 VanDerWaalsContact OD1-CE2 3.27Å; D184-Y522 WeakPolarHBondContact OD1-CE2 3.46Å; L187-Y522 HydrophobicContact CD2-CD2 3.77Å; L187-Y522 HydrophobicContact CD2-CG 4.2Å; L187-Y522 HydrophobicContact CG-CD2 4.44Å; I188-Y522 HydrophobicContact CD1-CE1 4.31Å; I188-Y522 WeakPolarHBondContact CD1-OH 3.22Å; I188-Y522 HydrophobicContact CG1-CE1 3.78Å; I188-Y522 HydrophobicContact CG1-CE2 4.43Å; I188-Y522 WeakPolarHBondContact CG1-OH 3.33Å; S494-Y522 VanDerWaalsContact C-OH 3.29Å; S494-Y522 WeakPolarHBondContact CA-OH 2.76Å; S494-Y522 WeakPolarHBondContact CB-OH 3.44Å; S494-Y522 PolarHBondContact O-OH 3.34Å; R505-Y522 WeakPolarHBondContact CA-O 3.07Å; R505-Y522 WeakPolarHBondContact CB-O 3.19Å; G506-Y522 PolarHBondContact N-O 3.19Å; G506-Y522 WeakPolarHBondContact O-CD1 3.4Å; G506-Y522 PolarHBondContact O-N 3.07Å; Y508-Y522 HydrophobicContact CD1-CD1 4.08Å; Y508-Y522 AromaticContact CD1-CE1 3.77Å; Y508-Y522 HydrophobicContact CD1-CE1 3.77Å; Y508-Y522 HydrophobicContact CE1-CD1 4.26Å; Y508-Y522 HydrophobicContact CE1-CE1 4.36Å
523	Q	90.3	Very high	80.9	Confident	48 Å²	48	79.6 Å²	79.6	22%	0.224	39%	0.388	C	S	.	.			trans	-153.4	116.8	176.3	-164.8	165.8	-1.8	0	0	108.4	N497 S525 C528	N497-Q523 PolarHBondContact OD1-NE2 3.28Å; Q523-S525 PolarHBondContact O-N 3.2Å; Q523-C528 PolarHBondContact NE2-SG 2.78Å
524	A	81.1	Confident	80.4	Confident	24 Å²	24	80.1 Å²	80.1	20%	0.198	38%	0.384	C	S	.	.			trans	-82.1	96.6	178.7	0	0	0	0	0	109.9	E183 D184 L187 S496 N497	E183-A524 HydrophobicContact CB-CB 4.18Å; D184-A524 WeakPolarHBondContact OD1-CB 3.42Å; L187-A524 HydrophobicContact CD2-CB 4.38Å; S496-A524 PolarHBondContact OG-N 2.86Å; N497-A524 PolarHBondContact ND2-O 2.83Å
525	S	74.3	Confident	80	Confident	36 Å²	36	81 Å²	81	25%	0.252	39%	0.385	S	S	.	.			trans	-179.8	138.8	159	172.9	0	0	0	0	109.6	Q523 T527	Q523-S525 PolarHBondContact O-N 3.2Å; S525-T527 PolarHBondContact OG-N 3.38Å; S525-T527 PolarHBondContact OG-OG1 2.72Å
526	R	58.9	Low	79.3	Confident	229 Å²	229	80.5 Å²	80.5	86%	0.864	38%	0.383	S	S	*	.	S	Bend	trans	-67	-39.4	171.7	-69	179.3	76.3	169.4	2.6	111	C528 R529	R526-C528 PolarHBondContact O-N 2.74Å; R526-R529 PolarHBondContact O-N 2.83Å
527	T	58.1	Low	78.7	Confident	88 Å²	88	77.1 Å²	77.1	54%	0.54	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-64.4	-28.5	-176.6	-18.8	0	0	0	0	112.6	S525 R529 E530	S525-T527 PolarHBondContact OG-N 3.38Å; S525-T527 PolarHBondContact OG-OG1 2.72Å; T527-R529 VanDerWaalsContact C-N 3.28Å; T527-R529 PolarHBondContact O-N 3.26Å; T527-E530 PolarHBondContact O-N 3.06Å
528	C	57.3	Low	78.1	Confident	20 Å²	20	76.6 Å²	76.6	14%	0.135	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-74	-18.1	-176.5	-150	0	0	0	0	113.7	V501 Q523 R526 E530	V501-C528 HydrophobicContact CG1-CB 4.46Å; Q523-C528 PolarHBondContact NE2-SG 2.78Å; R526-C528 PolarHBondContact O-N 2.74Å; C528-E530 PolarHBondContact O-N 2.88Å
529	R	57.7	Low	77.4	Confident	226 Å²	226	78.2 Å²	78.2	85%	0.853	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-71.3	-17.6	176.8	-65.4	-174.5	-178.6	-175.7	1.1	113.2	R526 T527	R526-R529 PolarHBondContact O-N 2.83Å; T527-R529 VanDerWaalsContact C-N 3.28Å; T527-R529 PolarHBondContact O-N 3.26Å
530	E	60.9	Low	76.9	Confident	160 Å²	160	76 Å²	76	75%	0.748	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-100.2	-10	-174.3	-64.1	175	-179.5	0	0	112.9	T527 C528	T527-E530 PolarHBondContact O-N 3.06Å; C528-E530 PolarHBondContact O-N 2.88Å
531	L	66.8	Low	76.4	Confident	59 Å²	59	74.9 Å²	74.9	31%	0.309	35%	0.348	S	S	.	.			trans	-90.9	128.8	-175.9	-63.4	174.6	0	0	0	111.5	Q535	L531-Q535 HydrophobicContact CB-CB 4.49Å; L531-Q535 HydrophobicContact CD2-CB 4.12Å
532	T	76.5	Confident	75.8	Confident	79 Å²	79	78.6 Å²	78.6	49%	0.485	36%	0.359	S	S	.	.			trans	-67.6	155.2	165.1	63.6	0	0	0	0	110.7	R534 Q535 S536	T532-R534 PolarHBondContact O-N 3.29Å; T532-R534 VanDerWaalsContact O-N 3.12Å; T532-Q535 PolarHBondContact O-N 3.08Å; T532-Q535 VanDerWaalsContact OG1-CD 3.31Å; T532-Q535 WeakPolarHBondContact OG1-CG 3.44Å; T532-Q535 PolarHBondContact OG1-N 3.38Å; T532-Q535 PolarHBondContact OG1-OE1 3.34Å; T532-S536 PolarHBondContact O-N 3.28Å
533	L	74.3	Confident	75.3	Confident	97 Å²	97	79.1 Å²	79.1	51%	0.508	36%	0.363	S	S	.	.	H	α-helix	trans	-50.8	-40.2	175.9	-178.4	67.3	0	0	0	112.2	Q535 S536 V537	L533-Q535 PolarHBondContact O-N 2.78Å; L533-S536 PolarHBondContact O-N 2.53Å; L533-V537 HydrophobicContact CD1-CG2 4.25Å; L533-V537 HydrophobicContact CG-CG2 4.4Å; L533-V537 WeakPolarHBondContact O-CB 3.42Å; L533-V537 VanDerWaalsContact O-CG2 3.25Å; L533-V537 WeakPolarHBondContact O-CG2 3.32Å; L533-V537 PolarHBondContact O-N 3.33Å
534	R	80.3	Confident	75.1	Confident	160 Å²	160	76.8 Å²	76.8	60%	0.604	35%	0.353	S	S	*	.	H	α-helix	trans	-62.7	-42.8	177.4	-177.2	-171.6	177.1	178.2	-3.4	112.3	Y32 L36 T532 G538	Y32-R534 WeakPolarHBondContact OH-CD 3.46Å; L36-R534 HydrophobicContact CD2-CB 4.49Å; L36-R534 HydrophobicContact CD2-CG 4.4Å; T532-R534 PolarHBondContact O-N 3.29Å; T532-R534 VanDerWaalsContact O-N 3.12Å; R534-G538 PolarHBondContact O-N 3.38Å
535	Q	81.2	Confident	75.3	Confident	99 Å²	99	76.3 Å²	76.3	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-69.4	-43.4	179.7	-73.4	162.4	-43.2	0	0	111	L531 T532 L533 G538 W539	L531-Q535 HydrophobicContact CB-CB 4.49Å; L531-Q535 HydrophobicContact CD2-CB 4.12Å; T532-Q535 PolarHBondContact O-N 3.08Å; T532-Q535 VanDerWaalsContact OG1-CD 3.31Å; T532-Q535 WeakPolarHBondContact OG1-CG 3.44Å; T532-Q535 PolarHBondContact OG1-N 3.38Å; T532-Q535 PolarHBondContact OG1-OE1 3.34Å; L533-Q535 PolarHBondContact O-N 2.78Å; Q535-G538 PolarHBondContact O-N 3Å; Q535-W539 WeakPolarHBondContact O-CB 3.32Å; Q535-W539 PolarHBondContact O-N 2.83Å
536	S	78.1	Confident	75.7	Confident	14 Å²	14	80.8 Å²	80.8	10%	0.098	36%	0.358	C	S	.	.	H	α-helix	trans	-60.4	-48.3	175.5	162.1	0	0	0	0	111.9	G502 T532 L533 G538 W539 T540	G502-S536 PolarHBondContact O-OG 3.19Å; T532-S536 PolarHBondContact O-N 3.28Å; L533-S536 PolarHBondContact O-N 2.53Å; S536-G538 VanDerWaalsContact C-N 3.34Å; S536-G538 PolarHBondContact O-N 2.68Å; S536-W539 PolarHBondContact O-N 2.56Å; S536-T540 WeakPolarHBondContact O-CG2 3.5Å; S536-T540 PolarHBondContact O-N 2.87Å; S536-T540 PolarHBondContact O-OG1 3.18Å
537	V	82.1	Confident	76.6	Confident	1 Å²	1	71 Å²	71	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-43.3	174.9	172.1	0	0	0	0	110.9	L36 R39 R40 L533 W539 T540 E541	L36-V537 HydrophobicContact CD2-CG1 4.5Å; R39-V537 HydrophobicContact CB-CG1 4.13Å; R40-V537 HydrophobicContact CB-CG1 4.44Å; R40-V537 HydrophobicContact CB-CG2 4.06Å; R40-V537 HydrophobicContact CG-CG2 4.04Å; L533-V537 HydrophobicContact CD1-CG2 4.25Å; L533-V537 HydrophobicContact CG-CG2 4.4Å; L533-V537 WeakPolarHBondContact O-CB 3.42Å; L533-V537 VanDerWaalsContact O-CG2 3.25Å; L533-V537 WeakPolarHBondContact O-CG2 3.32Å; L533-V537 PolarHBondContact O-N 3.33Å; V537-W539 VanDerWaalsContact C-N 3.32Å; V537-W539 PolarHBondContact O-N 2.94Å; V537-T540 WeakPolarHBondContact CA-OG1 3.32Å; V537-T540 PolarHBondContact O-OG1 2.67Å; V537-T540 VanDerWaalsContact O-OG1 3.05Å; V537-E541 WeakPolarHBondContact O-CB 3.44Å; V537-E541 PolarHBondContact O-N 3.24Å
538	G	82.9	Confident	77.8	Confident	8 Å²	8	66.8 Å²	66.8	8%	0.082	30%	0.3	C	S	.	.	H	α-helix	trans	-66.1	-32.4	177.9	0	0	0	0	0	113.8	R534 Q535 S536 R542	R534-G538 PolarHBondContact O-N 3.38Å; Q535-G538 PolarHBondContact O-N 3Å; S536-G538 VanDerWaalsContact C-N 3.34Å; S536-G538 PolarHBondContact O-N 2.68Å; G538-R542 WeakPolarHBondContact O-CG 3.47Å; G538-R542 VanDerWaalsContact O-CZ 3.26Å; G538-R542 PolarHBondContact O-N 3.18Å; G538-R542 PolarHBondContact O-NH1 2.83Å
539	W	81.3	Confident	79.1	Confident	129 Å²	129	68.8 Å²	68.8	49%	0.489	31%	0.305	S	S	.	.	H	α-helix	trans	-70.2	-52.8	176.2	-174.6	-82.7	0	0	0	111.5	Q535 S536 V537 E541 R542 S543	Q535-W539 WeakPolarHBondContact O-CB 3.32Å; Q535-W539 PolarHBondContact O-N 2.83Å; S536-W539 PolarHBondContact O-N 2.56Å; V537-W539 VanDerWaalsContact C-N 3.32Å; V537-W539 PolarHBondContact O-N 2.94Å; W539-E541 VanDerWaalsContact C-N 3.32Å; W539-E541 PolarHBondContact O-N 3.41Å; W539-R542 PolarHBondContact O-N 2.79Å; W539-S543 PolarHBondContact O-N 2.85Å; W539-S543 VanDerWaalsContact O-N 3.1Å
540	T	85.1	Confident	79.9	Confident	7 Å²	7	62.2 Å²	62.2	4%	0.043	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-40	179.2	49.6	0	0	0	0	111.8	T43 E500 S536 V537 R542 S543 A544	T43-T540 WeakPolarHBondContact CG2-O 3.32Å; E500-T540 HydrophobicContact CB-CG2 4.44Å; E500-T540 HydrophobicContact CG-CG2 4.46Å; S536-T540 WeakPolarHBondContact O-CG2 3.5Å; S536-T540 PolarHBondContact O-N 2.87Å; S536-T540 PolarHBondContact O-OG1 3.18Å; V537-T540 WeakPolarHBondContact CA-OG1 3.32Å; V537-T540 PolarHBondContact O-OG1 2.67Å; V537-T540 VanDerWaalsContact O-OG1 3.05Å; T540-R542 PolarHBondContact O-N 3.2Å; T540-S543 PolarHBondContact O-N 2.87Å; T540-A544 WeakPolarHBondContact O-CB 3.32Å; T540-A544 PolarHBondContact O-N 3.24Å
541	E	86.7	Confident	80.7	Confident	17 Å²	17	57.7 Å²	57.7	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-43.1	175.8	-174.6	-175.1	-131.9	0	0	112.2	R39 T43 V537 W539 S543 A544 L545 Q599	R39-E541 IonicContact CZ-OE1 3.09Å; R39-E541 IonicContact CZ-OE2 3.05Å; R39-E541 IonicContact NE-OE1 3.81Å; R39-E541 PolarHBondContact NE-OE1 3.27Å; R39-E541 IonicContact NE-OE2 3.8Å; R39-E541 PolarHBondContact NE-OE2 3.23Å; R39-E541 IonicContact NH2-OE1 3.55Å; R39-E541 IonicContact NH2-OE2 2.65Å; R39-E541 PolarHBondContact NH2-OE2 3.16Å; T43-E541 WeakPolarHBondContact OG1-CA 3.38Å; T43-E541 WeakPolarHBondContact OG1-CB 3.21Å; V537-E541 WeakPolarHBondContact O-CB 3.44Å; V537-E541 PolarHBondContact O-N 3.24Å; W539-E541 VanDerWaalsContact C-N 3.32Å; W539-E541 PolarHBondContact O-N 3.41Å; E541-S543 VanDerWaalsContact C-N 3.34Å; E541-S543 PolarHBondContact O-N 3.01Å; E541-A544 PolarHBondContact O-N 3.32Å; E541-L545 HydrophobicContact CG-CD1 4.11Å; E541-L545 WeakPolarHBondContact O-CB 3.33Å; E541-L545 VanDerWaalsContact O-CG 3.25Å; E541-L545 WeakPolarHBondContact O-CG 3.38Å; E541-L545 PolarHBondContact O-N 3.01Å; E541-Q599 PolarHBondContact OE1-NE2 3.3Å
542	R	84.3	Confident	81.4	Confident	146 Å²	146	54.9 Å²	54.9	55%	0.551	25%	0.248	S	C	*	.	H	α-helix	trans	-62.8	-41.3	175.6	-76.2	-173.2	-61	-91.9	2.3	111.9	G538 W539 T540 R546	G538-R542 WeakPolarHBondContact O-CG 3.47Å; G538-R542 VanDerWaalsContact O-CZ 3.26Å; G538-R542 PolarHBondContact O-N 3.18Å; G538-R542 PolarHBondContact O-NH1 2.83Å; W539-R542 PolarHBondContact O-N 2.79Å; T540-R542 PolarHBondContact O-N 3.2Å; R542-R546 WeakPolarHBondContact O-CB 3.43Å; R542-R546 PolarHBondContact O-N 2.85Å
543	S	82.9	Confident	81.6	Confident	14 Å²	14	54.5 Å²	54.5	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-66.5	-45.2	178.6	-164.4	0	0	0	0	111.4	E500 W539 T540 E541 L545 R546 A547	E500-S543 WeakPolarHBondContact OE2-CB 3.26Å; E500-S543 PolarHBondContact OE2-OG 2.95Å; W539-S543 PolarHBondContact O-N 2.85Å; W539-S543 VanDerWaalsContact O-N 3.1Å; T540-S543 PolarHBondContact O-N 2.87Å; E541-S543 VanDerWaalsContact C-N 3.34Å; E541-S543 PolarHBondContact O-N 3.01Å; S543-L545 PolarHBondContact O-N 2.54Å; S543-R546 WeakPolarHBondContact O-CB 3.32Å; S543-R546 PolarHBondContact O-N 2.61Å; S543-R546 VanDerWaalsContact O-N 3.14Å; S543-A547 PolarHBondContact O-N 3.27Å
544	A	85.6	Confident	81.3	Confident	0 Å²	0	52 Å²	52	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-44.2	175.2	0	0	0	0	0	112.3	T43 I46 F47 T540 E541 R546 A547 L548	T43-A544 HydrophobicContact CG2-CB 3.71Å; I46-A544 HydrophobicContact CB-CB 4.18Å; I46-A544 HydrophobicContact CD1-CB 4.26Å; I46-A544 HydrophobicContact CG2-CB 4.02Å; F47-A544 HydrophobicContact CD1-CB 4.46Å; F47-A544 HydrophobicContact CD2-CB 4.07Å; F47-A544 HydrophobicContact CE1-CB 4.07Å; F47-A544 HydrophobicContact CE2-CB 3.65Å; F47-A544 HydrophobicContact CG-CB 4.46Å; F47-A544 HydrophobicContact CZ-CB 3.66Å; T540-A544 WeakPolarHBondContact O-CB 3.32Å; T540-A544 PolarHBondContact O-N 3.24Å; E541-A544 PolarHBondContact O-N 3.32Å; A544-R546 VanDerWaalsContact C-N 3.3Å; A544-R546 PolarHBondContact O-N 3.38Å; A544-A547 PolarHBondContact O-N 2.8Å; A544-L548 WeakPolarHBondContact O-CB 3.41Å; A544-L548 PolarHBondContact O-N 3.33Å
545	L	85.4	Confident	81.1	Confident	13 Å²	13	46.1 Å²	46.1	7%	0.068	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-33.2	176.6	-72.4	170.8	0	0	0	112.5	I46 E541 S543 R549 Q599 L600	I46-L545 HydrophobicContact CD1-CD2 4.4Å; E541-L545 HydrophobicContact CG-CD1 4.11Å; E541-L545 WeakPolarHBondContact O-CB 3.33Å; E541-L545 VanDerWaalsContact O-CG 3.25Å; E541-L545 WeakPolarHBondContact O-CG 3.38Å; E541-L545 PolarHBondContact O-N 3.01Å; S543-L545 PolarHBondContact O-N 2.54Å; L545-R549 WeakPolarHBondContact O-CB 3.26Å; L545-R549 VanDerWaalsContact O-CG 3.28Å; L545-R549 WeakPolarHBondContact O-CG 3.09Å; L545-R549 PolarHBondContact O-N 3.09Å; L545-Q599 HydrophobicContact CD1-CB 3.86Å; L545-Q599 HydrophobicContact CD1-CG 4.39Å; L545-Q599 HydrophobicContact CD2-CB 4.01Å; L545-L600 HydrophobicContact CD2-CD2 4.05Å; L545-L600 HydrophobicContact CD2-CG 4.49Å
546	R	82.5	Confident	81.1	Confident	131 Å²	131	44.3 Å²	44.3	49%	0.494	20%	0.198	S	C	.	.	H	α-helix	trans	-64.9	-48.3	172.9	-177.3	179.8	63.5	177.5	-1.9	110.8	R542 S543 A544 L548 R549 Q550	R542-R546 WeakPolarHBondContact O-CB 3.43Å; R542-R546 PolarHBondContact O-N 2.85Å; S543-R546 WeakPolarHBondContact O-CB 3.32Å; S543-R546 PolarHBondContact O-N 2.61Å; S543-R546 VanDerWaalsContact O-N 3.14Å; A544-R546 VanDerWaalsContact C-N 3.3Å; A544-R546 PolarHBondContact O-N 3.38Å; R546-L548 VanDerWaalsContact C-N 3.31Å; R546-L548 PolarHBondContact O-N 3.16Å; R546-R549 PolarHBondContact O-N 3.43Å; R546-Q550 WeakPolarHBondContact O-CG 3.44Å; R546-Q550 PolarHBondContact O-N 3.03Å
547	A	78	Confident	80.9	Confident	23 Å²	23	46 Å²	46	19%	0.19	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-42.6	176.2	0	0	0	0	0	111.7	I50 S543 A544 R549 Q550 Q551	I50-A547 HydrophobicContact CD1-CB 4.03Å; S543-A547 PolarHBondContact O-N 3.27Å; A544-A547 PolarHBondContact O-N 2.8Å; A547-R549 PolarHBondContact O-N 2.94Å; A547-Q550 WeakPolarHBondContact O-CB 3.49Å; A547-Q550 PolarHBondContact O-N 3.12Å; A547-Q551 WeakPolarHBondContact O-CG 3.29Å; A547-Q551 PolarHBondContact O-N 3.17Å
548	L	85	Confident	80.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-40.7	176.3	-172.4	60.1	0	0	0	112.4	I46 I50 A544 R546 Q550 Q551 L552 L589 L591 W593 L596 L600	I46-L548 HydrophobicContact CD1-CD2 4.12Å; I46-L548 HydrophobicContact CG1-CD2 4.27Å; I46-L548 HydrophobicContact CG2-CB 3.96Å; I46-L548 HydrophobicContact CG2-CD1 4.47Å; I46-L548 HydrophobicContact CG2-CD2 4.41Å; I50-L548 HydrophobicContact CD1-CB 4.45Å; I50-L548 HydrophobicContact CD1-CD1 4.45Å; A544-L548 WeakPolarHBondContact O-CB 3.41Å; A544-L548 PolarHBondContact O-N 3.33Å; R546-L548 VanDerWaalsContact C-N 3.31Å; R546-L548 PolarHBondContact O-N 3.16Å; L548-Q550 VanDerWaalsContact C-N 3.32Å; L548-Q550 PolarHBondContact O-N 2.97Å; L548-Q551 PolarHBondContact O-N 3.23Å; L548-L552 HydrophobicContact CG-CD1 4.38Å; L548-L552 VanDerWaalsContact O-CG 3.3Å; L548-L552 WeakPolarHBondContact O-CG 3.41Å; L548-L552 PolarHBondContact O-N 2.8Å; L548-L589 HydrophobicContact CD1-CD1 3.85Å; L548-L591 HydrophobicContact CD1-CD1 3.73Å; L548-L591 HydrophobicContact CD2-CD1 4.2Å; L548-W593 HydrophobicContact CD1-CH2 3.8Å; L548-W593 HydrophobicContact CD1-CZ3 4.17Å; L548-W593 HydrophobicContact CD2-CH2 4.44Å; L548-W593 HydrophobicContact CD2-CZ3 4.01Å; L548-W593 HydrophobicContact CG-CH2 4.45Å; L548-W593 HydrophobicContact CG-CZ3 4.34Å; L548-L596 HydrophobicContact CD2-CD1 3.97Å; L548-L600 HydrophobicContact CD2-CD1 4.02Å; L548-L600 HydrophobicContact CD2-CD2 4.29Å
549	R	83	Confident	81	Confident	61 Å²	61	49 Å²	49	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-38.8	174.6	-78	-176.8	-175.6	105.4	-0.1	112.2	L545 R546 A547 L552 F553 Q599 L600 L618	L545-R549 WeakPolarHBondContact O-CB 3.26Å; L545-R549 VanDerWaalsContact O-CG 3.28Å; L545-R549 WeakPolarHBondContact O-CG 3.09Å; L545-R549 PolarHBondContact O-N 3.09Å; R546-R549 PolarHBondContact O-N 3.43Å; A547-R549 PolarHBondContact O-N 2.94Å; R549-L552 PolarHBondContact O-N 2.9Å; R549-F553 WeakPolarHBondContact O-CB 3.1Å; R549-F553 PolarHBondContact O-N 3.21Å; R549-Q599 PolarHBondContact NH2-O 3.38Å; R549-L600 HydrophobicContact CG-CD2 4.32Å; R549-L618 HydrophobicContact CB-CD2 4.36Å; R549-L618 HydrophobicContact CG-CD2 3.92Å
550	Q	75.4	Confident	81.2	Confident	89 Å²	89	44.9 Å²	44.9	42%	0.416	21%	0.213	S	C	.	.	H	α-helix	trans	-61.6	-44.7	174.1	-71.1	170.3	-19.8	0	0	110.9	R546 A547 L548 L552 F553 V554	R546-Q550 WeakPolarHBondContact O-CG 3.44Å; R546-Q550 PolarHBondContact O-N 3.03Å; A547-Q550 WeakPolarHBondContact O-CB 3.49Å; A547-Q550 PolarHBondContact O-N 3.12Å; L548-Q550 VanDerWaalsContact C-N 3.32Å; L548-Q550 PolarHBondContact O-N 2.97Å; Q550-L552 PolarHBondContact O-N 3.03Å; Q550-F553 WeakPolarHBondContact O-CB 3.27Å; Q550-F553 PolarHBondContact O-N 2.85Å; Q550-V554 VanDerWaalsContact O-CG2 3.28Å; Q550-V554 WeakPolarHBondContact O-CG2 3.5Å; Q550-V554 PolarHBondContact O-N 2.91Å
551	Q	76.8	Confident	81.3	Confident	64 Å²	64	45.9 Å²	45.9	30%	0.299	23%	0.225	S	C	.	.	H	α-helix	trans	-61.7	-44.7	174.9	-67.9	-60	-41.1	0	0	112.3	I50 A547 L548 F553 V554 H555 L587	I50-Q551 HydrophobicContact CD1-CG 4.12Å; I50-Q551 HydrophobicContact CG1-CG 4.15Å; I50-Q551 HydrophobicContact CG2-CG 4.16Å; A547-Q551 WeakPolarHBondContact O-CG 3.29Å; A547-Q551 PolarHBondContact O-N 3.17Å; L548-Q551 PolarHBondContact O-N 3.23Å; Q551-F553 VanDerWaalsContact C-N 3.26Å; Q551-F553 PolarHBondContact O-N 3.12Å; Q551-V554 PolarHBondContact O-N 2.98Å; Q551-H555 PolarHBondContact O-CD2 3.48Å; Q551-H555 VanDerWaalsContact O-CD2 3.29Å; Q551-H555 PolarHBondContact O-N 3.16Å; Q551-H555 VanDerWaalsContact O-N 3.12Å; Q551-L587 HydrophobicContact CB-CD2 4.19Å
552	L	82.4	Confident	81.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-38.8	175.1	-69.6	168.1	0	0	0	112	L548 R549 Q550 H555 K556 L559 T583 L587 W593 L600 W614 L618	L548-L552 HydrophobicContact CG-CD1 4.38Å; L548-L552 VanDerWaalsContact O-CG 3.3Å; L548-L552 WeakPolarHBondContact O-CG 3.41Å; L548-L552 PolarHBondContact O-N 2.8Å; R549-L552 PolarHBondContact O-N 2.9Å; Q550-L552 PolarHBondContact O-N 3.03Å; L552-H555 CarbonylContact O-C 3.55Å; L552-H555 PolarHBondContact O-N 3.19Å; L552-K556 PolarHBondContact O-N 3.38Å; L552-L559 HydrophobicContact CB-CD1 4.47Å; L552-L559 HydrophobicContact CD2-CD1 4.02Å; L552-L559 WeakPolarHBondContact O-CD1 3.09Å; L552-T583 HydrophobicContact CD2-CG2 3.58Å; L552-L587 HydrophobicContact CD2-CD1 3.82Å; L552-L587 HydrophobicContact CD2-CD2 3.76Å; L552-L587 HydrophobicContact CD2-CG 4.49Å; L552-L587 HydrophobicContact CG-CD2 4.24Å; L552-W593 HydrophobicContact CD2-CH2 4.18Å; L552-W593 HydrophobicContact CD2-CZ3 4.21Å; L552-L600 HydrophobicContact CD1-CD1 4.46Å; L552-L600 HydrophobicContact CD1-CD2 4.25Å; L552-W614 HydrophobicContact CD1-CH2 4.28Å; L552-W614 HydrophobicContact CD1-CZ2 4.13Å; L552-W614 HydrophobicContact CD2-CH2 4.17Å; L552-L618 HydrophobicContact CB-CD1 3.97Å; L552-L618 HydrophobicContact CD1-CD2 4.43Å
553	F	79.6	Confident	81.8	Confident	72 Å²	72	38.4 Å²	38.4	32%	0.316	20%	0.197	S	C	.	.	H	α-helix	trans	-68.6	-44.1	177.7	-179	-98.3	0	0	0	112.2	R549 Q550 Q551 H555 K556	R549-F553 WeakPolarHBondContact O-CB 3.1Å; R549-F553 PolarHBondContact O-N 3.21Å; Q550-F553 WeakPolarHBondContact O-CB 3.27Å; Q550-F553 PolarHBondContact O-N 2.85Å; Q551-F553 VanDerWaalsContact C-N 3.26Å; Q551-F553 PolarHBondContact O-N 3.12Å; F553-H555 PolarHBondContact O-N 2.78Å; F553-K556 HydrophobicContact CD2-CD 4.49Å; F553-K556 HydrophobicContact CE2-CD 4.24Å; F553-K556 VanDerWaalsContact O-CB 3.26Å; F553-K556 WeakPolarHBondContact O-CB 3.35Å; F553-K556 WeakPolarHBondContact O-CG 3.27Å; F553-K556 PolarHBondContact O-N 3.28Å
554	V	69.3	Low	82.1	Confident	44 Å²	44	42.2 Å²	42.2	27%	0.267	21%	0.213	S	C	.	.	H	α-helix	trans	-58.7	-30.9	175.9	168.7	0	0	0	0	111.8	Q550 Q551 K638	Q550-V554 VanDerWaalsContact O-CG2 3.28Å; Q550-V554 WeakPolarHBondContact O-CG2 3.5Å; Q550-V554 PolarHBondContact O-N 2.91Å; Q551-V554 PolarHBondContact O-N 2.98Å; V554-K638 HydrophobicContact CG1-CB 4.37Å; V554-K638 HydrophobicContact CG1-CD 4.44Å; V554-K638 HydrophobicContact CG1-CG 3.42Å; V554-K638 VanDerWaalsContact CG1-CG 3.42Å; V554-K638 WeakPolarHBondContact O-CE 3.4Å
555	H	74.8	Confident	82.4	Confident	36 Å²	36	47.6 Å²	47.6	17%	0.167	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	19.1	177.4	-70.4	-81.4	0	0	0	114.2	Q551 L552 F553 S557 D558 L559 V586 L587	Q551-H555 PolarHBondContact O-CD2 3.48Å; Q551-H555 VanDerWaalsContact O-CD2 3.29Å; Q551-H555 PolarHBondContact O-N 3.16Å; Q551-H555 VanDerWaalsContact O-N 3.12Å; L552-H555 CarbonylContact O-C 3.55Å; L552-H555 PolarHBondContact O-N 3.19Å; F553-H555 PolarHBondContact O-N 2.78Å; H555-S557 VanDerWaalsContact C-N 3.32Å; H555-S557 PolarHBondContact O-N 2.93Å; H555-D558 IonicContact ND1-OD2 2.93Å; H555-D558 PolarHBondContact ND1-OD2 3.25Å; H555-D558 PolarHBondContact O-N 3.13Å; H555-L559 WeakPolarHBondContact O-CB 3.34Å; H555-L559 WeakPolarHBondContact O-CG 3.17Å; H555-L559 PolarHBondContact O-N 3.01Å; H555-V586 HydrophobicContact CB-CG1 3.98Å; H555-L587 HydrophobicContact CB-CD1 4.48Å
556	K	81.2	Confident	82.6	Confident	61 Å²	61	50.1 Å²	50.1	27%	0.265	25%	0.249	S	C	.	.	H	α-helix	trans	-55	-41.7	-173.7	67.9	-175.9	-177.8	179	0	113.7	L552 F553 L559 V560 I615 E634	L552-K556 PolarHBondContact O-N 3.38Å; F553-K556 HydrophobicContact CD2-CD 4.49Å; F553-K556 HydrophobicContact CE2-CD 4.24Å; F553-K556 VanDerWaalsContact O-CB 3.26Å; F553-K556 WeakPolarHBondContact O-CB 3.35Å; F553-K556 WeakPolarHBondContact O-CG 3.27Å; F553-K556 PolarHBondContact O-N 3.28Å; K556-L559 WeakPolarHBondContact O-CB 3.36Å; K556-L559 PolarHBondContact O-N 3.21Å; K556-V560 VanDerWaalsContact O-CG2 3.29Å; K556-V560 WeakPolarHBondContact O-CG2 3.34Å; K556-V560 PolarHBondContact O-N 2.85Å; K556-I615 HydrophobicContact CB-CD1 4.35Å; K556-I615 HydrophobicContact CB-CG2 4.28Å; K556-E634 WeakPolarHBondContact CE-OE1 3.47Å; K556-E634 IonicContact NZ-OE1 2.82Å
557	S	75.6	Confident	82.9	Confident	50 Å²	50	44.3 Å²	44.3	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-73.1	-42.5	-176	-60	0	0	0	0	112	H555 L559 V560 G561 E634	H555-S557 VanDerWaalsContact C-N 3.32Å; H555-S557 PolarHBondContact O-N 2.93Å; S557-L559 VanDerWaalsContact C-N 3.25Å; S557-L559 PolarHBondContact O-N 3.39Å; S557-V560 PolarHBondContact O-N 3.17Å; S557-G561 PolarHBondContact O-N 3.46Å; S557-E634 WeakPolarHBondContact CB-OE2 3.37Å; S557-E634 PolarHBondContact OG-OE1 3.02Å; S557-E634 PolarHBondContact OG-OE2 3.39Å
558	D	81.1	Confident	83.3	Confident	72 Å²	72	48.6 Å²	48.6	39%	0.385	25%	0.254	S	S	.	.	H	α-helix	trans	-60.3	-39.9	173.7	-56.9	-35.6	0	0	0	110.5	H555 A562 V586 K638	H555-D558 IonicContact ND1-OD2 2.93Å; H555-D558 PolarHBondContact ND1-OD2 3.25Å; H555-D558 PolarHBondContact O-N 3.13Å; D558-A562 WeakPolarHBondContact O-CB 3.33Å; D558-A562 PolarHBondContact O-N 2.66Å; D558-V586 HydrophobicContact CB-CG1 3.57Å; D558-V586 HydrophobicContact CB-CG2 4.37Å; D558-K638 IonicContact OD1-NZ 3.95Å; D558-K638 IonicContact OD2-NZ 2.73Å; D558-K638 PolarHBondContact OD2-NZ 3.43Å
559	L	85.4	Confident	83.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-46.1	174.6	-75.7	171.2	0	0	0	112.3	L552 H555 K556 S557 G561 A562 F563 T583 V586 L587 I615	L552-L559 HydrophobicContact CB-CD1 4.47Å; L552-L559 HydrophobicContact CD2-CD1 4.02Å; L552-L559 WeakPolarHBondContact O-CD1 3.09Å; H555-L559 WeakPolarHBondContact O-CB 3.34Å; H555-L559 WeakPolarHBondContact O-CG 3.17Å; H555-L559 PolarHBondContact O-N 3.01Å; K556-L559 WeakPolarHBondContact O-CB 3.36Å; K556-L559 PolarHBondContact O-N 3.21Å; S557-L559 VanDerWaalsContact C-N 3.25Å; S557-L559 PolarHBondContact O-N 3.39Å; L559-G561 VanDerWaalsContact C-N 3.34Å; L559-G561 PolarHBondContact O-N 3.48Å; L559-A562 PolarHBondContact O-N 3.13Å; L559-F563 HydrophobicContact CB-CD2 4.44Å; L559-F563 HydrophobicContact CB-CE2 3.9Å; L559-F563 HydrophobicContact CB-CZ 4.2Å; L559-F563 HydrophobicContact CD2-CE1 4.49Å; L559-F563 HydrophobicContact CD2-CZ 4.02Å; L559-F563 WeakPolarHBondContact O-CB 3.29Å; L559-F563 WeakPolarHBondContact O-CD2 2.97Å; L559-F563 WeakPolarHBondContact O-CG 3.49Å; L559-F563 PolarHBondContact O-N 2.9Å; L559-T583 HydrophobicContact CD2-CG2 4.31Å; L559-V586 HydrophobicContact CD2-CB 3.89Å; L559-V586 HydrophobicContact CD2-CG1 4.11Å; L559-V586 HydrophobicContact CD2-CG2 4.1Å; L559-V586 HydrophobicContact CG-CB 4.4Å; L559-V586 HydrophobicContact CG-CG1 4.08Å; L559-L587 HydrophobicContact CD1-CD1 4.18Å; L559-L587 HydrophobicContact CD2-CD1 3.77Å; L559-L587 HydrophobicContact CG-CD1 4.19Å; L559-I615 HydrophobicContact CB-CD1 4.44Å; L559-I615 HydrophobicContact CD1-CD1 4.39Å
560	V	86.3	Confident	83.4	Confident	42 Å²	42	57.3 Å²	57.3	26%	0.255	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-45.7	177.7	169.6	0	0	0	0	110.5	K556 S557 A562 F563 Q564 I615	K556-V560 VanDerWaalsContact O-CG2 3.29Å; K556-V560 WeakPolarHBondContact O-CG2 3.34Å; K556-V560 PolarHBondContact O-N 2.85Å; S557-V560 PolarHBondContact O-N 3.17Å; V560-A562 PolarHBondContact O-N 3.46Å; V560-F563 PolarHBondContact O-N 2.92Å; V560-Q564 HydrophobicContact CG1-CG 4.47Å; V560-Q564 VanDerWaalsContact O-CG 3.31Å; V560-Q564 WeakPolarHBondContact O-CG 3.47Å; V560-Q564 PolarHBondContact O-N 3.19Å; V560-I615 HydrophobicContact CG2-CG1 4.14Å
561	G	85.8	Confident	83.9	Confident	29 Å²	29	57 Å²	57	30%	0.299	31%	0.309	S	S	.	.	H	α-helix	trans	-58.4	-46.6	174.8	0	0	0	0	0	112	S557 L559 F563 Q564 E565	S557-G561 PolarHBondContact O-N 3.46Å; L559-G561 VanDerWaalsContact C-N 3.34Å; L559-G561 PolarHBondContact O-N 3.48Å; G561-F563 VanDerWaalsContact C-N 3.33Å; G561-F563 PolarHBondContact O-N 3.26Å; G561-Q564 PolarHBondContact O-N 3.16Å; G561-E565 PolarHBondContact O-N 3.42Å
562	A	89.1	Confident	84.3	Confident	5 Å²	5	54.2 Å²	54.2	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-33.4	177	0	0	0	0	0	113.3	D558 L559 V560 F566 A582 V586	D558-A562 WeakPolarHBondContact O-CB 3.33Å; D558-A562 PolarHBondContact O-N 2.66Å; L559-A562 PolarHBondContact O-N 3.13Å; V560-A562 PolarHBondContact O-N 3.46Å; A562-F566 VanDerWaalsContact O-CD2 3.3Å; A562-F566 WeakPolarHBondContact O-CD2 3.34Å; A562-A582 HydrophobicContact CB-CB 4.08Å; A562-V586 HydrophobicContact CB-CG2 3.61Å
563	F	92.3	Very high	84.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-71.3	-38.3	175.9	-63.3	-33.2	0	0	0	112.2	L559 V560 G561 E565 F566 D567 I574 W579 A582 Y611 W614 I615	L559-F563 HydrophobicContact CB-CD2 4.44Å; L559-F563 HydrophobicContact CB-CE2 3.9Å; L559-F563 HydrophobicContact CB-CZ 4.2Å; L559-F563 HydrophobicContact CD2-CE1 4.49Å; L559-F563 HydrophobicContact CD2-CZ 4.02Å; L559-F563 WeakPolarHBondContact O-CB 3.29Å; L559-F563 WeakPolarHBondContact O-CD2 2.97Å; L559-F563 WeakPolarHBondContact O-CG 3.49Å; L559-F563 PolarHBondContact O-N 2.9Å; V560-F563 PolarHBondContact O-N 2.92Å; G561-F563 VanDerWaalsContact C-N 3.33Å; G561-F563 PolarHBondContact O-N 3.26Å; F563-E565 VanDerWaalsContact C-N 3.27Å; F563-E565 PolarHBondContact O-N 3.41Å; F563-F566 CarbonylContact O-C 3.55Å; F563-F566 WeakPolarHBondContact O-CA 3.44Å; F563-F566 PolarHBondContact O-N 3.02Å; F563-D567 PolarHBondContact O-N 2.99Å; F563-I574 HydrophobicContact CB-CD1 4.08Å; F563-I574 HydrophobicContact CD1-CD1 3.27Å; F563-I574 HydrophobicContact CE1-CD1 3.76Å; F563-I574 HydrophobicContact CG-CD1 3.71Å; F563-W579 AromaticContact CE1-CD1 3.92Å; F563-W579 AromaticContact CZ-CD1 3.76Å; F563-A582 HydrophobicContact CD1-CB 3.5Å; F563-A582 HydrophobicContact CE1-CB 3.57Å; F563-Y611 HydrophobicContact CB-CD1 4.19Å; F563-Y611 HydrophobicContact CB-CD2 3.93Å; F563-Y611 HydrophobicContact CB-CE1 4.43Å; F563-Y611 HydrophobicContact CB-CE2 4.19Å; F563-Y611 HydrophobicContact CB-CG 3.93Å; F563-Y611 AromaticContact CD2-CD2 3.82Å; F563-Y611 HydrophobicContact CD2-CD2 3.82Å; F563-Y611 AromaticContact CD2-CG 3.86Å; F563-Y611 HydrophobicContact CD2-CG 3.86Å; F563-Y611 HydrophobicContact CG-CD2 4.3Å; F563-Y611 HydrophobicContact CG-CG 4.15Å; F563-W614 HydrophobicContact CE2-CE3 4.05Å; F563-W614 AromaticContact CE2-CZ3 3.73Å; F563-W614 HydrophobicContact CE2-CZ3 3.73Å; F563-W614 HydrophobicContact CZ-CE3 4.24Å; F563-W614 AromaticContact CZ-CZ3 3.64Å; F563-W614 HydrophobicContact CZ-CZ3 3.64Å; F563-I615 HydrophobicContact CE2-CD1 4.4Å
564	Q	90.4	Very high	85.2	Confident	94 Å²	94	53.3 Å²	53.3	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-33.6	176.3	-74.2	170	-18.5	0	0	112.3	V560 G561 F566 D567	V560-Q564 HydrophobicContact CG1-CG 4.47Å; V560-Q564 VanDerWaalsContact O-CG 3.31Å; V560-Q564 WeakPolarHBondContact O-CG 3.47Å; V560-Q564 PolarHBondContact O-N 3.19Å; G561-Q564 PolarHBondContact O-N 3.16Å; Q564-F566 PolarHBondContact O-N 2.91Å; Q564-D567 CarbonylContact O-C 3.5Å; Q564-D567 VanDerWaalsContact O-C 3.25Å; Q564-D567 PolarHBondContact O-N 2.94Å
565	E	90.9	Very high	86.2	Confident	113 Å²	113	52.6 Å²	52.6	53%	0.528	30%	0.295	S	S	.	.	H	α-helix	trans	-59.2	-30.1	172.4	-67	-176.7	-159.4	0	0	112.7	G561 F563 R585	G561-E565 PolarHBondContact O-N 3.42Å; F563-E565 VanDerWaalsContact C-N 3.27Å; F563-E565 PolarHBondContact O-N 3.41Å; E565-R585 IonicContact OE1-CZ 3.44Å; E565-R585 IonicContact OE1-NH1 3.33Å; E565-R585 IonicContact OE1-NH2 2.73Å; E565-R585 PolarHBondContact OE1-NH2 2.77Å; E565-R585 IonicContact OE2-CZ 3.38Å; E565-R585 IonicContact OE2-NH1 3.03Å; E565-R585 PolarHBondContact OE2-NH1 3.1Å; E565-R585 IonicContact OE2-NH2 3.78Å; E565-R585 PolarHBondContact OE2-NH2 2.79Å; E565-R585 VanDerWaalsContact OE2-NH2 3.16Å
566	F	89	Confident	86.8	Confident	67 Å²	67	52.5 Å²	52.5	29%	0.294	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	0.5	176.1	-68.6	-73	0	0	0	113.7	A562 F563 Q564 I574 H578 T581 A582	A562-F566 VanDerWaalsContact O-CD2 3.3Å; A562-F566 WeakPolarHBondContact O-CD2 3.34Å; F563-F566 CarbonylContact O-C 3.55Å; F563-F566 WeakPolarHBondContact O-CA 3.44Å; F563-F566 PolarHBondContact O-N 3.02Å; Q564-F566 PolarHBondContact O-N 2.91Å; F566-I574 HydrophobicContact CB-CG2 4.34Å; F566-H578 HydrophobicContact CB-CB 3.98Å; F566-H578 HydrophobicContact CD1-CB 4.09Å; F566-H578 AromaticContact CD1-CD2 3.87Å; F566-H578 AromaticContact CD1-CG 3.75Å; F566-H578 HydrophobicContact CD2-CB 4.33Å; F566-H578 HydrophobicContact CG-CB 3.88Å; F566-H578 AromaticContact CG-CG 4Å; F566-T581 HydrophobicContact CZ-CG2 4.26Å; F566-A582 HydrophobicContact CD2-CB 4.15Å; F566-A582 HydrophobicContact CE2-CB 4.04Å
567	D	90.1	Very high	87.1	Confident	9 Å²	9	57.9 Å²	57.9	5%	0.048	31%	0.314	C	S	.	.			trans	-130.5	66.4	178.4	-175.1	20.3	0	0	0	111.1	F563 Q564 N569 N570 T571 G572 I574 Y611	F563-D567 PolarHBondContact O-N 2.99Å; Q564-D567 CarbonylContact O-C 3.5Å; Q564-D567 VanDerWaalsContact O-C 3.25Å; Q564-D567 PolarHBondContact O-N 2.94Å; D567-N569 PolarHBondContact O-N 2.92Å; D567-N569 VanDerWaalsContact O-N 3.09Å; D567-N570 PolarHBondContact O-N 3.31Å; D567-N570 PolarHBondContact OD1-N 2.79Å; D567-N570 WeakPolarHBondContact OD2-CA 3.33Å; D567-T571 VanDerWaalsContact CG-N 3.25Å; D567-T571 VanDerWaalsContact CG-OG1 3.28Å; D567-T571 PolarHBondContact OD1-N 3.48Å; D567-T571 PolarHBondContact OD1-OG1 2.95Å; D567-T571 PolarHBondContact OD2-N 3.3Å; D567-T571 PolarHBondContact OD2-OG1 3.23Å; D567-G572 PolarHBondContact OD2-N 3.36Å; D567-I574 HydrophobicContact CB-CG2 4.05Å; D567-Y611 HydrophobicContact CB-CE1 4.24Å; D567-Y611 PolarHBondContact OD2-OH 2.82Å
568	P	85.6	Confident	87.8	Confident	113 Å²	113	59 Å²	59	73%	0.734	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.7	-176.7	26.2	-35.6	0	0	0	113.5
569	N	86.3	Confident	88.4	Confident	136 Å²	136	55.7 Å²	55.7	73%	0.727	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	2.5	178.6	-65.5	-23.7	0	0	0	112.5	D567 T571	D567-N569 PolarHBondContact O-N 2.92Å; D567-N569 VanDerWaalsContact O-N 3.09Å; N569-T571 HydrophobicContact CB-CG2 3.83Å; N569-T571 PolarHBondContact O-N 3.28Å
570	N	84.6	Confident	88.6	Confident	107 Å²	107	56 Å²	56	57%	0.572	30%	0.299	S	S	*	.			trans	50.9	41.9	179.8	-157	26.9	0	0	0	113.2	D567 G572	D567-N570 PolarHBondContact O-N 3.31Å; D567-N570 PolarHBondContact OD1-N 2.79Å; D567-N570 WeakPolarHBondContact OD2-CA 3.33Å; N570-G572 VanDerWaalsContact C-N 3.26Å; N570-G572 PolarHBondContact O-N 3.35Å
571	T	85.8	Confident	88.8	Confident	83 Å²	83	57.5 Å²	57.5	51%	0.509	31%	0.308	S	S	.	.			trans	-73.9	-16	-179.3	60.8	0	0	0	0	113.3	D567 N569 V573	D567-T571 VanDerWaalsContact CG-N 3.25Å; D567-T571 VanDerWaalsContact CG-OG1 3.28Å; D567-T571 PolarHBondContact OD1-N 3.48Å; D567-T571 PolarHBondContact OD1-OG1 2.95Å; D567-T571 PolarHBondContact OD2-N 3.3Å; D567-T571 PolarHBondContact OD2-OG1 3.23Å; N569-T571 HydrophobicContact CB-CG2 3.83Å; N569-T571 PolarHBondContact O-N 3.28Å; T571-V573 PolarHBondContact O-N 3.14Å; T571-V573 WeakPolarHBondContact OG1-CG2 3.43Å; T571-V573 PolarHBondContact OG1-O 2.84Å
572	G	85.7	Confident	89.1	Confident	5 Å²	5	56.1 Å²	56.1	5%	0.052	29%	0.293	C	S	.	.	S	Bend	trans	79.2	3.1	-175.7	0	0	0	0	0	113.8	D567 N570 D610 Y611	D567-G572 PolarHBondContact OD2-N 3.36Å; N570-G572 VanDerWaalsContact C-N 3.26Å; N570-G572 PolarHBondContact O-N 3.35Å; G572-D610 WeakPolarHBondContact O-CA 2.99Å; G572-Y611 VanDerWaalsContact C-CD1 3.47Å; G572-Y611 VanDerWaalsContact CA-CE1 3.48Å; G572-Y611 WeakPolarHBondContact O-CD1 3.31Å; G572-Y611 WeakPolarHBondContact O-CE1 3.12Å; G572-Y611 PolarHBondContact O-N 3.47Å; G572-Y611 VanDerWaalsContact O-N 3.17Å
573	V	89	Confident	89.2	Confident	51 Å²	51	55.9 Å²	55.9	31%	0.309	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.8	-174.9	-65.7	0	0	0	0	112.5	T571 M608 V609 D610	T571-V573 PolarHBondContact O-N 3.14Å; T571-V573 WeakPolarHBondContact OG1-CG2 3.43Å; T571-V573 PolarHBondContact OG1-O 2.84Å; V573-M608 HydrophobicContact CG2-CE 4.17Å; V573-V609 CarbonylContact C-O 3.54Å; V573-V609 VanDerWaalsContact CA-O 3.32Å; V573-V609 WeakPolarHBondContact CA-O 3.17Å; V573-D610 HydrophobicContact CG1-CB 4.16Å
574	I	90.8	Very high	89.1	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	156.8	177.9	60.2	175	0	0	0	111.9	F563 F566 D567 H578 W579 M608 V609 Y611	F563-I574 HydrophobicContact CB-CD1 4.08Å; F563-I574 HydrophobicContact CD1-CD1 3.27Å; F563-I574 HydrophobicContact CE1-CD1 3.76Å; F563-I574 HydrophobicContact CG-CD1 3.71Å; F566-I574 HydrophobicContact CB-CG2 4.34Å; D567-I574 HydrophobicContact CB-CG2 4.05Å; I574-H578 HydrophobicContact CB-CB 4.36Å; I574-W579 HydrophobicContact CD1-CB 3.89Å; I574-W579 HydrophobicContact CG1-CB 4.35Å; I574-M608 CarbonylContact O-C 3.59Å; I574-M608 WeakPolarHBondContact O-CA 3.31Å; I574-V609 HydrophobicContact CG1-CB 4.46Å; I574-V609 PolarHBondContact N-O 3.28Å; I574-V609 PolarHBondContact O-N 3.45Å; I574-Y611 HydrophobicContact CD1-CD1 4.44Å; I574-Y611 HydrophobicContact CG1-CD1 4.15Å; I574-Y611 HydrophobicContact CG2-CD1 3.88Å; I574-Y611 HydrophobicContact CG2-CE1 4.06Å
575	S	90.1	Very high	89	Confident	30 Å²	30	60.3 Å²	60.3	21%	0.21	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	152.6	175.2	81.4	0	0	0	0	111.6	R577 H578 W579	S575-R577 PolarHBondContact O-N 3.24Å; S575-R577 VanDerWaalsContact O-N 3.11Å; S575-R577 PolarHBondContact OG-N 2.59Å; S575-H578 PolarHBondContact O-N 3.33Å; S575-H578 PolarHBondContact OG-N 3.15Å; S575-H578 VanDerWaalsContact OG-N 3.14Å; S575-H578 PolarHBondContact OG-ND1 3.49Å; S575-W579 PolarHBondContact O-N 2.96Å
576	L	87	Confident	88.7	Confident	33 Å²	33	56.4 Å²	56.4	17%	0.173	29%	0.29	C	S	.	.	H	α-helix	trans	-56.5	-27.3	173.4	-76.1	171.5	0	0	0	114.1	A580 R597 I601 G607 V609	L576-A580 PolarHBondContact O-N 3.04Å; L576-R597 HydrophobicContact CD2-CG 3.85Å; L576-I601 HydrophobicContact CD2-CD1 3.98Å; L576-G607 WeakPolarHBondContact CG-O 3.13Å; L576-G607 PolarHBondContact N-O 3.32Å; L576-V609 HydrophobicContact CD2-CG2 3.42Å; L576-V609 VanDerWaalsContact CD2-CG2 3.42Å; L576-V609 HydrophobicContact CG-CG2 4.17Å
577	R	89.1	Confident	88.3	Confident	175 Å²	175	54 Å²	54	66%	0.66	28%	0.28	S	S	*	.	H	α-helix	trans	-72.2	-46.5	175.7	-67.7	-177.3	178.5	-176.3	0.6	110.5	S575 A580 T581	S575-R577 PolarHBondContact O-N 3.24Å; S575-R577 VanDerWaalsContact O-N 3.11Å; S575-R577 PolarHBondContact OG-N 2.59Å; R577-A580 PolarHBondContact O-N 3.49Å; R577-T581 PolarHBondContact O-N 2.6Å; R577-T581 PolarHBondContact O-OG1 3.32Å; R577-T581 VanDerWaalsContact O-OG1 3.09Å
578	H	90.4	Very high	88	Confident	74 Å²	74	61.4 Å²	61.4	34%	0.343	31%	0.312	S	S	.	.	H	α-helix	trans	-64.5	-41.1	178.1	-61.9	165.4	0	0	0	111.4	F566 I574 S575 A580 T581 A582	F566-H578 HydrophobicContact CB-CB 3.98Å; F566-H578 HydrophobicContact CD1-CB 4.09Å; F566-H578 AromaticContact CD1-CD2 3.87Å; F566-H578 AromaticContact CD1-CG 3.75Å; F566-H578 HydrophobicContact CD2-CB 4.33Å; F566-H578 HydrophobicContact CG-CB 3.88Å; F566-H578 AromaticContact CG-CG 4Å; I574-H578 HydrophobicContact CB-CB 4.36Å; S575-H578 PolarHBondContact O-N 3.33Å; S575-H578 PolarHBondContact OG-N 3.15Å; S575-H578 VanDerWaalsContact OG-N 3.14Å; S575-H578 PolarHBondContact OG-ND1 3.49Å; H578-A580 PolarHBondContact O-N 3.48Å; H578-T581 PolarHBondContact O-N 2.72Å; H578-A582 VanDerWaalsContact O-CB 3.29Å; H578-A582 WeakPolarHBondContact O-CB 3.35Å; H578-A582 PolarHBondContact O-N 2.68Å
579	W	92.2	Very high	87.9	Confident	1 Å²	1	56.7 Å²	56.7	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-54.2	-54.8	172.8	172.3	80.6	0	0	0	111.5	F563 I574 S575 T581 A582 T583 W593 R597 L600 I601 W614	F563-W579 AromaticContact CE1-CD1 3.92Å; F563-W579 AromaticContact CZ-CD1 3.76Å; I574-W579 HydrophobicContact CD1-CB 3.89Å; I574-W579 HydrophobicContact CG1-CB 4.35Å; S575-W579 PolarHBondContact O-N 2.96Å; W579-T581 VanDerWaalsContact C-N 3.3Å; W579-T581 PolarHBondContact O-N 3.19Å; W579-A582 PolarHBondContact O-N 3.14Å; W579-T583 WeakPolarHBondContact O-CB 3.02Å; W579-T583 PolarHBondContact O-N 3Å; W579-T583 PolarHBondContact O-OG1 3.08Å; W579-W593 HydrophobicContact CH2-CB 4.31Å; W579-W593 HydrophobicContact CH2-CE3 4.27Å; W579-W593 HydrophobicContact CZ3-CB 4Å; W579-W593 WeakPolarHBondContact CZ3-O 3.42Å; W579-R597 HydrophobicContact CZ3-CB 4.16Å; W579-R597 HydrophobicContact CZ3-CG 4.49Å; W579-L600 HydrophobicContact CH2-CD1 4.15Å; W579-L600 HydrophobicContact CZ2-CB 4.45Å; W579-L600 HydrophobicContact CZ2-CD1 4.35Å; W579-I601 HydrophobicContact CD2-CD1 3.66Å; W579-I601 HydrophobicContact CE3-CD1 3.85Å; W579-I601 HydrophobicContact CG-CD1 4.26Å; W579-I601 HydrophobicContact CH2-CD1 3.99Å; W579-I601 HydrophobicContact CZ2-CD1 3.79Å; W579-I601 HydrophobicContact CZ2-CG1 4.21Å; W579-I601 HydrophobicContact CZ3-CD1 4.01Å; W579-W614 AromaticContact CE2-CZ2 3.94Å; W579-W614 HydrophobicContact CZ2-CH2 4.2Å; W579-W614 AromaticContact CZ2-CZ2 3.83Å; W579-W614 HydrophobicContact CZ2-CZ2 3.83Å; W579-W614 AromaticContact NE1-CD2 3.98Å; W579-W614 AromaticContact NE1-CE2 3.8Å; W579-W614 AromaticContact NE1-CE3 3.81Å; W579-W614 AromaticContact NE1-CH2 3.24Å; W579-W614 AromaticContact NE1-CZ2 3.43Å; W579-W614 AromaticContact NE1-CZ3 3.46Å
580	A	89.9	Confident	87.7	Confident	8 Å²	8	52.6 Å²	52.6	7%	0.066	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-39.1	-179.2	0	0	0	0	0	112.7	L576 R577 H578 E584 W593 R594	L576-A580 PolarHBondContact O-N 3.04Å; R577-A580 PolarHBondContact O-N 3.49Å; H578-A580 PolarHBondContact O-N 3.48Å; A580-E584 WeakPolarHBondContact O-CB 3.42Å; A580-E584 PolarHBondContact O-N 2.87Å; A580-E584 VanDerWaalsContact O-N 3.11Å; A580-W593 HydrophobicContact CB-CB 3.88Å; A580-R594 HydrophobicContact CB-CG 4.05Å
581	T	91.5	Very high	87.9	Confident	72 Å²	72	48 Å²	48	44%	0.442	25%	0.246	S	C	.	.	H	α-helix	trans	-68.7	-45.2	177.8	-60.1	0	0	0	0	112	F566 R577 H578 W579 E584 R585	F566-T581 HydrophobicContact CZ-CG2 4.26Å; R577-T581 PolarHBondContact O-N 2.6Å; R577-T581 PolarHBondContact O-OG1 3.32Å; R577-T581 VanDerWaalsContact O-OG1 3.09Å; H578-T581 PolarHBondContact O-N 2.72Å; W579-T581 VanDerWaalsContact C-N 3.3Å; W579-T581 PolarHBondContact O-N 3.19Å; T581-E584 PolarHBondContact O-N 3.26Å; T581-R585 WeakPolarHBondContact O-CB 3.29Å; T581-R585 PolarHBondContact O-N 2.86Å
582	A	91.6	Very high	87.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-42.7	179.1	0	0	0	0	0	111.6	A562 F563 F566 H578 W579 E584 R585 V586	A562-A582 HydrophobicContact CB-CB 4.08Å; F563-A582 HydrophobicContact CD1-CB 3.5Å; F563-A582 HydrophobicContact CE1-CB 3.57Å; F566-A582 HydrophobicContact CD2-CB 4.15Å; F566-A582 HydrophobicContact CE2-CB 4.04Å; H578-A582 VanDerWaalsContact O-CB 3.29Å; H578-A582 WeakPolarHBondContact O-CB 3.35Å; H578-A582 PolarHBondContact O-N 2.68Å; W579-A582 PolarHBondContact O-N 3.14Å; A582-E584 PolarHBondContact O-N 2.72Å; A582-R585 PolarHBondContact O-N 2.98Å; A582-V586 WeakPolarHBondContact O-CG2 3.07Å; A582-V586 PolarHBondContact O-N 3.02Å
583	T	90.4	Very high	88	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-43	175.9	-52.9	0	0	0	0	111.9	L552 L559 W579 V586 L587 W593	L552-T583 HydrophobicContact CD2-CG2 3.58Å; L559-T583 HydrophobicContact CD2-CG2 4.31Å; W579-T583 WeakPolarHBondContact O-CB 3.02Å; W579-T583 PolarHBondContact O-N 3Å; W579-T583 PolarHBondContact O-OG1 3.08Å; T583-V586 PolarHBondContact O-N 3.19Å; T583-L587 HydrophobicContact CG2-CD1 3.88Å; T583-L587 WeakPolarHBondContact O-CD1 3.39Å; T583-L587 PolarHBondContact O-N 2.62Å; T583-W593 HydrophobicContact CG2-CD2 3.78Å; T583-W593 HydrophobicContact CG2-CE3 3.7Å; T583-W593 HydrophobicContact CG2-CH2 3.56Å; T583-W593 HydrophobicContact CG2-CZ2 3.65Å; T583-W593 HydrophobicContact CG2-CZ3 3.59Å
584	E	90.9	Very high	87.7	Confident	57 Å²	57	49.6 Å²	49.6	27%	0.266	24%	0.239	S	C	.	.	H	α-helix	trans	-65.6	-40.7	174.4	-176.7	55.1	-152.8	0	0	112.3	A580 T581 A582 V586 K588 G590 L591 W593	A580-E584 WeakPolarHBondContact O-CB 3.42Å; A580-E584 PolarHBondContact O-N 2.87Å; A580-E584 VanDerWaalsContact O-N 3.11Å; T581-E584 PolarHBondContact O-N 3.26Å; A582-E584 PolarHBondContact O-N 2.72Å; E584-V586 VanDerWaalsContact C-N 3.29Å; E584-V586 PolarHBondContact O-N 3.41Å; E584-K588 WeakPolarHBondContact O-CA 3.34Å; E584-K588 PolarHBondContact O-N 3.2Å; E584-G590 VanDerWaalsContact OE1-CA 3.29Å; E584-G590 WeakPolarHBondContact OE1-CA 3.45Å; E584-G590 PolarHBondContact OE1-N 2.87Å; E584-G590 PolarHBondContact OE2-N 3.44Å; E584-L591 PolarHBondContact OE2-N 3.15Å; E584-W593 PolarHBondContact OE2-NE1 2.8Å
585	R	88.3	Confident	87.4	Confident	130 Å²	130	53.3 Å²	53.3	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-61.7	-38.1	179.4	178.4	173.8	165.9	-162.8	-13.5	112.4	E565 T581 A582 K588	E565-R585 IonicContact OE1-CZ 3.44Å; E565-R585 IonicContact OE1-NH1 3.33Å; E565-R585 IonicContact OE1-NH2 2.73Å; E565-R585 PolarHBondContact OE1-NH2 2.77Å; E565-R585 IonicContact OE2-CZ 3.38Å; E565-R585 IonicContact OE2-NH1 3.03Å; E565-R585 PolarHBondContact OE2-NH1 3.1Å; E565-R585 IonicContact OE2-NH2 3.78Å; E565-R585 PolarHBondContact OE2-NH2 2.79Å; E565-R585 VanDerWaalsContact OE2-NH2 3.16Å; T581-R585 WeakPolarHBondContact O-CB 3.29Å; T581-R585 PolarHBondContact O-N 2.86Å; A582-R585 PolarHBondContact O-N 2.98Å; R585-K588 WeakPolarHBondContact O-CE 3.27Å
586	V	83.9	Confident	87.1	Confident	31 Å²	31	52 Å²	52	19%	0.188	25%	0.253	C	S	.	.	H	α-helix	trans	-79	-52.2	-179.2	173	0	0	0	0	111.4	H555 D558 L559 A562 A582 T583 E584	H555-V586 HydrophobicContact CB-CG1 3.98Å; D558-V586 HydrophobicContact CB-CG1 3.57Å; D558-V586 HydrophobicContact CB-CG2 4.37Å; L559-V586 HydrophobicContact CD2-CB 3.89Å; L559-V586 HydrophobicContact CD2-CG1 4.11Å; L559-V586 HydrophobicContact CD2-CG2 4.1Å; L559-V586 HydrophobicContact CG-CB 4.4Å; L559-V586 HydrophobicContact CG-CG1 4.08Å; A562-V586 HydrophobicContact CB-CG2 3.61Å; A582-V586 WeakPolarHBondContact O-CG2 3.07Å; A582-V586 PolarHBondContact O-N 3.02Å; T583-V586 PolarHBondContact O-N 3.19Å; E584-V586 VanDerWaalsContact C-N 3.29Å; E584-V586 PolarHBondContact O-N 3.41Å
587	L	82	Confident	86.9	Confident	16 Å²	16	55.2 Å²	55.2	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-86.2	-25.7	-172.2	-75.6	87.3	0	0	0	113.4	Q551 L552 H555 L559 T583 L589 W593	Q551-L587 HydrophobicContact CB-CD2 4.19Å; L552-L587 HydrophobicContact CD2-CD1 3.82Å; L552-L587 HydrophobicContact CD2-CD2 3.76Å; L552-L587 HydrophobicContact CD2-CG 4.49Å; L552-L587 HydrophobicContact CG-CD2 4.24Å; H555-L587 HydrophobicContact CB-CD1 4.48Å; L559-L587 HydrophobicContact CD1-CD1 4.18Å; L559-L587 HydrophobicContact CD2-CD1 3.77Å; L559-L587 HydrophobicContact CG-CD1 4.19Å; T583-L587 HydrophobicContact CG2-CD1 3.88Å; T583-L587 WeakPolarHBondContact O-CD1 3.39Å; T583-L587 PolarHBondContact O-N 2.62Å; L587-L589 HydrophobicContact CB-CD1 3.99Å; L587-L589 HydrophobicContact CB-CG 3.93Å; L587-L589 HydrophobicContact CD2-CD1 3.76Å; L587-L589 PolarHBondContact O-N 2.83Å; L587-L589 VanDerWaalsContact O-N 3.12Å; L587-W593 HydrophobicContact CB-CZ2 4.34Å; L587-W593 HydrophobicContact CD2-CH2 4.15Å
588	K	83.9	Confident	86.5	Confident	165 Å²	165	51.1 Å²	51.1	72%	0.717	26%	0.259	S	S	*	.			trans	50.4	35.6	179.5	-58.5	-178.5	179.3	179.3	0	114.2	E584 R585 G590	E584-K588 WeakPolarHBondContact O-CA 3.34Å; E584-K588 PolarHBondContact O-N 3.2Å; R585-K588 WeakPolarHBondContact O-CE 3.27Å; K588-G590 VanDerWaalsContact C-N 3.34Å
589	L	83	Confident	86.1	Confident	15 Å²	15	50.2 Å²	50.2	8%	0.079	25%	0.254	C	S	.	.			trans	-85.6	-4.5	-177.7	-64.4	173.1	0	0	0	112.9	S49 I50 A53 L548 L587 L591 W593	S49-L589 VanDerWaalsContact CB-O 3.28Å; S49-L589 WeakPolarHBondContact CB-O 3.34Å; S49-L589 WeakPolarHBondContact O-CD2 3.34Å; S49-L589 PolarHBondContact OG-O 2.82Å; S49-L589 VanDerWaalsContact OG-O 3.11Å; I50-L589 HydrophobicContact CG1-CD1 4.4Å; A53-L589 HydrophobicContact CB-CD2 3.79Å; L548-L589 HydrophobicContact CD1-CD1 3.85Å; L587-L589 HydrophobicContact CB-CD1 3.99Å; L587-L589 HydrophobicContact CB-CG 3.93Å; L587-L589 HydrophobicContact CD2-CD1 3.76Å; L587-L589 PolarHBondContact O-N 2.83Å; L587-L589 VanDerWaalsContact O-N 3.12Å; L589-L591 HydrophobicContact CB-CD1 3.82Å; L589-L591 HydrophobicContact CB-CG 3.72Å; L589-L591 HydrophobicContact CD1-CD1 3.88Å; L589-L591 PolarHBondContact O-N 2.75Å; L589-W593 HydrophobicContact CB-CZ2 4.44Å; L589-W593 HydrophobicContact CD1-CH2 4.34Å; L589-W593 HydrophobicContact CD1-CZ2 4.34Å
590	G	82.5	Confident	85.6	Confident	49 Å²	49	50.4 Å²	50.4	51%	0.505	26%	0.256	S	S	.	.			trans	62.9	23.6	-178.7	0	0	0	0	0	113.8	E584 K588	E584-G590 VanDerWaalsContact OE1-CA 3.29Å; E584-G590 WeakPolarHBondContact OE1-CA 3.45Å; E584-G590 PolarHBondContact OE1-N 2.87Å; E584-G590 PolarHBondContact OE2-N 3.44Å; K588-G590 VanDerWaalsContact C-N 3.34Å
591	L	87.1	Confident	85.3	Confident	10 Å²	10	50.5 Å²	50.5	5%	0.052	26%	0.255	C	S	.	.			trans	-85	147.9	-173	-67.8	176.3	0	0	0	111.7	N45 I46 L548 E584 L589 W593 L596	N45-L591 HydrophobicContact CB-CD2 4.27Å; I46-L591 HydrophobicContact CG1-CD1 4.2Å; I46-L591 HydrophobicContact CG1-CD2 4.1Å; L548-L591 HydrophobicContact CD1-CD1 3.73Å; L548-L591 HydrophobicContact CD2-CD1 4.2Å; E584-L591 PolarHBondContact OE2-N 3.15Å; L589-L591 HydrophobicContact CB-CD1 3.82Å; L589-L591 HydrophobicContact CB-CG 3.72Å; L589-L591 HydrophobicContact CD1-CD1 3.88Å; L589-L591 PolarHBondContact O-N 2.75Å; L591-W593 HydrophobicContact CB-CD2 4.32Å; L591-W593 HydrophobicContact CB-CZ2 4.11Å; L591-W593 HydrophobicContact CD1-CH2 3.99Å; L591-W593 HydrophobicContact CD1-CZ2 4.05Å; L591-W593 PolarHBondContact O-N 3.03Å; L591-L596 HydrophobicContact CB-CD1 4.13Å; L591-L596 HydrophobicContact CD1-CD1 4.29Å
592	P	85.7	Confident	84.2	Confident	32 Å²	32	52.9 Å²	52.9	21%	0.208	27%	0.265	C	S	.	.			trans	-76.9	69.8	175.5	33.4	-35.8	0	0	0	110.6	R594 V595 L596	P592-R594 PolarHBondContact O-N 3.1Å; P592-V595 HydrophobicContact CB-CB 4.17Å; P592-V595 HydrophobicContact CB-CG2 4.06Å; P592-V595 HydrophobicContact CG-CB 4.42Å; P592-V595 WeakPolarHBondContact O-CA 3.47Å; P592-V595 WeakPolarHBondContact O-CB 3.46Å; P592-V595 PolarHBondContact O-N 3.4Å; P592-L596 PolarHBondContact O-N 2.6Å; P592-L596 VanDerWaalsContact O-N 3.16Å
593	W	87.9	Confident	83.1	Confident	9 Å²	9	61.5 Å²	61.5	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-51.1	-35.9	-173.8	-64.3	106.2	0	0	0	114.1	L548 L552 W579 A580 T583 E584 L587 L589 L591 V595 L596 R597 L600	L548-W593 HydrophobicContact CD1-CH2 3.8Å; L548-W593 HydrophobicContact CD1-CZ3 4.17Å; L548-W593 HydrophobicContact CD2-CH2 4.44Å; L548-W593 HydrophobicContact CD2-CZ3 4.01Å; L548-W593 HydrophobicContact CG-CH2 4.45Å; L548-W593 HydrophobicContact CG-CZ3 4.34Å; L552-W593 HydrophobicContact CD2-CH2 4.18Å; L552-W593 HydrophobicContact CD2-CZ3 4.21Å; W579-W593 HydrophobicContact CH2-CB 4.31Å; W579-W593 HydrophobicContact CH2-CE3 4.27Å; W579-W593 HydrophobicContact CZ3-CB 4Å; W579-W593 WeakPolarHBondContact CZ3-O 3.42Å; A580-W593 HydrophobicContact CB-CB 3.88Å; T583-W593 HydrophobicContact CG2-CD2 3.78Å; T583-W593 HydrophobicContact CG2-CE3 3.7Å; T583-W593 HydrophobicContact CG2-CH2 3.56Å; T583-W593 HydrophobicContact CG2-CZ2 3.65Å; T583-W593 HydrophobicContact CG2-CZ3 3.59Å; E584-W593 PolarHBondContact OE2-NE1 2.8Å; L587-W593 HydrophobicContact CB-CZ2 4.34Å; L587-W593 HydrophobicContact CD2-CH2 4.15Å; L589-W593 HydrophobicContact CB-CZ2 4.44Å; L589-W593 HydrophobicContact CD1-CH2 4.34Å; L589-W593 HydrophobicContact CD1-CZ2 4.34Å; L591-W593 HydrophobicContact CB-CD2 4.32Å; L591-W593 HydrophobicContact CB-CZ2 4.11Å; L591-W593 HydrophobicContact CD1-CH2 3.99Å; L591-W593 HydrophobicContact CD1-CZ2 4.05Å; L591-W593 PolarHBondContact O-N 3.03Å; W593-V595 VanDerWaalsContact C-N 3.29Å; W593-V595 PolarHBondContact O-N 2.95Å; W593-L596 HydrophobicContact CE3-CD1 4.49Å; W593-L596 PolarHBondContact O-N 2.86Å; W593-R597 PolarHBondContact O-N 3.18Å; W593-L600 HydrophobicContact CE3-CD1 4.04Å; W593-L600 HydrophobicContact CZ3-CD1 3.98Å
594	R	84.5	Confident	82.1	Confident	132 Å²	132	63.4 Å²	63.4	50%	0.498	31%	0.313	S	S	.	.	H	α-helix	trans	-63.9	-32.8	176.7	-62.9	-174.3	-175.7	-177.1	5.6	113.2	A580 P592 R597	A580-R594 HydrophobicContact CB-CG 4.05Å; P592-R594 PolarHBondContact O-N 3.1Å; R594-R597 WeakPolarHBondContact O-CB 3.48Å
595	V	82.6	Confident	81	Confident	81 Å²	81	68.1 Å²	68.1	49%	0.491	34%	0.335	S	S	.	.	H	α-helix	trans	-77.6	-36.1	176.1	-179.8	0	0	0	0	110.5	M38 P592 W593 R597 P598	M38-V595 HydrophobicContact CE-CG1 4.47Å; P592-V595 HydrophobicContact CB-CB 4.17Å; P592-V595 HydrophobicContact CB-CG2 4.06Å; P592-V595 HydrophobicContact CG-CB 4.42Å; P592-V595 WeakPolarHBondContact O-CA 3.47Å; P592-V595 WeakPolarHBondContact O-CB 3.46Å; P592-V595 PolarHBondContact O-N 3.4Å; W593-V595 VanDerWaalsContact C-N 3.29Å; W593-V595 PolarHBondContact O-N 2.95Å; V595-R597 VanDerWaalsContact C-N 3.32Å; V595-P598 WeakPolarHBondContact O-CD 3.45Å
596	L	84.1	Confident	80.2	Confident	1 Å²	1	71 Å²	71	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-75.4	-19.9	177.4	-67.3	175.8	0	0	0	113.7	C42 I46 L548 L591 P592 W593 P598 Q599 L600	C42-L596 WeakPolarHBondContact SG-CD2 3.46Å; I46-L596 HydrophobicContact CD1-CD1 4.24Å; I46-L596 HydrophobicContact CD1-CD2 3.88Å; I46-L596 HydrophobicContact CG1-CD1 4.29Å; L548-L596 HydrophobicContact CD2-CD1 3.97Å; L591-L596 HydrophobicContact CB-CD1 4.13Å; L591-L596 HydrophobicContact CD1-CD1 4.29Å; P592-L596 PolarHBondContact O-N 2.6Å; P592-L596 VanDerWaalsContact O-N 3.16Å; W593-L596 HydrophobicContact CE3-CD1 4.49Å; W593-L596 PolarHBondContact O-N 2.86Å; L596-P598 VanDerWaalsContact C-CD 3.42Å; L596-Q599 WeakPolarHBondContact O-CA 3.12Å; L596-Q599 WeakPolarHBondContact O-CB 3.16Å; L596-Q599 PolarHBondContact O-N 2.87Å; L596-L600 HydrophobicContact CB-CD1 3.82Å; L596-L600 HydrophobicContact CB-CG 4.42Å; L596-L600 PolarHBondContact O-N 2.81Å; L596-L600 VanDerWaalsContact O-N 3.16Å
597	R	83.5	Confident	79.9	Confident	102 Å²	102	71.2 Å²	71.2	39%	0.385	36%	0.362	S	S	.	.	H	α-helix	trans	-41.8	-52	179.9	-179.7	-145.9	113.8	178.3	3.6	114.4	L576 W579 W593 R594 V595 Q599 L600 I601	L576-R597 HydrophobicContact CD2-CG 3.85Å; W579-R597 HydrophobicContact CZ3-CB 4.16Å; W579-R597 HydrophobicContact CZ3-CG 4.49Å; W593-R597 PolarHBondContact O-N 3.18Å; R594-R597 WeakPolarHBondContact O-CB 3.48Å; V595-R597 VanDerWaalsContact C-N 3.32Å; R597-Q599 PolarHBondContact O-N 3.4Å; R597-Q599 VanDerWaalsContact O-N 3.09Å; R597-L600 PolarHBondContact O-N 2.98Å; R597-L600 VanDerWaalsContact O-N 3.12Å; R597-I601 HydrophobicContact CG-CD1 3.87Å; R597-I601 PolarHBondContact O-N 3.39Å
598	P	81.1	Confident	80	Confident	88 Å²	88	74.2 Å²	74.2	57%	0.571	38%	0.377	S	S	*	.	H	α-helix	trans	-64.8	-17.2	-176.1	-17.6	33	0	0	0	113.6	V595 L596	V595-P598 WeakPolarHBondContact O-CD 3.45Å; L596-P598 VanDerWaalsContact C-CD 3.42Å
599	Q	81.2	Confident	80.1	Confident	55 Å²	55	66.4 Å²	66.4	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-96.3	-22.1	179.6	-56.6	179.8	-12.4	0	0	112.1	E541 L545 R549 L596 R597	E541-Q599 PolarHBondContact OE1-NE2 3.3Å; L545-Q599 HydrophobicContact CD1-CB 3.86Å; L545-Q599 HydrophobicContact CD1-CG 4.39Å; L545-Q599 HydrophobicContact CD2-CB 4.01Å; R549-Q599 PolarHBondContact NH2-O 3.38Å; L596-Q599 WeakPolarHBondContact O-CA 3.12Å; L596-Q599 WeakPolarHBondContact O-CB 3.16Å; L596-Q599 PolarHBondContact O-N 2.87Å; R597-Q599 PolarHBondContact O-N 3.4Å; R597-Q599 VanDerWaalsContact O-N 3.09Å
600	L	82.6	Confident	80.4	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-104.4	-26.8	-176.3	-66.6	175.2	0	0	0	113.9	L545 L548 R549 L552 W579 W593 L596 R597 W614	L545-L600 HydrophobicContact CD2-CD2 4.05Å; L545-L600 HydrophobicContact CD2-CG 4.49Å; L548-L600 HydrophobicContact CD2-CD1 4.02Å; L548-L600 HydrophobicContact CD2-CD2 4.29Å; R549-L600 HydrophobicContact CG-CD2 4.32Å; L552-L600 HydrophobicContact CD1-CD1 4.46Å; L552-L600 HydrophobicContact CD1-CD2 4.25Å; W579-L600 HydrophobicContact CH2-CD1 4.15Å; W579-L600 HydrophobicContact CZ2-CB 4.45Å; W579-L600 HydrophobicContact CZ2-CD1 4.35Å; W593-L600 HydrophobicContact CE3-CD1 4.04Å; W593-L600 HydrophobicContact CZ3-CD1 3.98Å; L596-L600 HydrophobicContact CB-CD1 3.82Å; L596-L600 HydrophobicContact CB-CG 4.42Å; L596-L600 PolarHBondContact O-N 2.81Å; L596-L600 VanDerWaalsContact O-N 3.16Å; R597-L600 PolarHBondContact O-N 2.98Å; R597-L600 VanDerWaalsContact O-N 3.12Å; L600-W614 PolarHBondContact O-NE1 3.44Å
601	I	82	Confident	80.6	Confident	11 Å²	11	66 Å²	66	6%	0.056	33%	0.33	C	S	.	.			trans	-117.9	111.3	-178.7	-63.4	162.3	0	0	0	108.8	L576 W579 R597 A604 V609	L576-I601 HydrophobicContact CD2-CD1 3.98Å; W579-I601 HydrophobicContact CD2-CD1 3.66Å; W579-I601 HydrophobicContact CE3-CD1 3.85Å; W579-I601 HydrophobicContact CG-CD1 4.26Å; W579-I601 HydrophobicContact CH2-CD1 3.99Å; W579-I601 HydrophobicContact CZ2-CD1 3.79Å; W579-I601 HydrophobicContact CZ2-CG1 4.21Å; W579-I601 HydrophobicContact CZ3-CD1 4.01Å; R597-I601 HydrophobicContact CG-CD1 3.87Å; R597-I601 PolarHBondContact O-N 3.39Å; I601-A604 HydrophobicContact CG2-CB 4.21Å; I601-V609 HydrophobicContact CD1-CG1 4.43Å; I601-V609 HydrophobicContact CD1-CG2 3.84Å; I601-V609 HydrophobicContact CG2-CG2 4.48Å
602	N	70.3	Confident	80.5	Confident	122 Å²	122	69.6 Å²	69.6	65%	0.652	35%	0.346	S	S	*	.	S	Bend	trans	-81.6	-28.9	-179.5	-67.4	-34.4	0	0	0	112.8
603	R	68.1	Low	80.4	Confident	180 Å²	180	71 Å²	71	68%	0.679	35%	0.35	S	S	*	.			trans	-132.8	108.9	-175.7	-65.1	-178.1	178.2	-160.6	2.8	110
604	A	69.4	Low	80.3	Confident	40 Å²	40	70.8 Å²	70.8	33%	0.331	35%	0.349	S	S	.	.			trans	-123.5	113.6	167.3	0	0	0	0	0	107.9	I601 M608	I601-A604 HydrophobicContact CG2-CB 4.21Å; A604-M608 WeakPolarHBondContact CA-O 3.38Å
605	Q	68.2	Low	80.1	Confident	156 Å²	156	65.4 Å²	65.4	73%	0.729	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-89.6	124.5	175.2	-69.7	-174.2	-3.2	0	0	108.5	G607 M608	Q605-G607 PolarHBondContact O-N 3.36Å; Q605-M608 PolarHBondContact N-O 3.04Å; Q605-M608 PolarHBondContact O-N 3.28Å
606	H	71.3	Confident	79.9	Confident	190 Å²	190	67.6 Å²	67.6	88%	0.88	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	27.5	175.6	-55	91	0	0	0	115.6	M608	H606-M608 VanDerWaalsContact C-N 3.32Å
607	G	76.9	Confident	79.5	Confident	36 Å²	36	69.5 Å²	69.5	37%	0.371	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	10	-178.9	0	0	0	0	0	115.1	L576 Q605	L576-G607 WeakPolarHBondContact CG-O 3.13Å; L576-G607 PolarHBondContact N-O 3.32Å; Q605-G607 PolarHBondContact O-N 3.36Å
608	M	83.9	Confident	79	Confident	80 Å²	80	65.3 Å²	65.3	39%	0.394	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	150.5	171.7	-58.8	-70.3	-90.1	0	0	110.2	V573 I574 A604 Q605 H606	V573-M608 HydrophobicContact CG2-CE 4.17Å; I574-M608 CarbonylContact O-C 3.59Å; I574-M608 WeakPolarHBondContact O-CA 3.31Å; A604-M608 WeakPolarHBondContact CA-O 3.38Å; Q605-M608 PolarHBondContact N-O 3.04Å; Q605-M608 PolarHBondContact O-N 3.28Å; H606-M608 VanDerWaalsContact C-N 3.32Å
609	V	86.4	Confident	77.9	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121	177.8	-178.6	0	0	0	0	107.7	V573 I574 L576 I601 Y611 W614	V573-V609 CarbonylContact C-O 3.54Å; V573-V609 VanDerWaalsContact CA-O 3.32Å; V573-V609 WeakPolarHBondContact CA-O 3.17Å; I574-V609 HydrophobicContact CG1-CB 4.46Å; I574-V609 PolarHBondContact N-O 3.28Å; I574-V609 PolarHBondContact O-N 3.45Å; L576-V609 HydrophobicContact CD2-CG2 3.42Å; L576-V609 VanDerWaalsContact CD2-CG2 3.42Å; L576-V609 HydrophobicContact CG-CG2 4.17Å; I601-V609 HydrophobicContact CD1-CG1 4.43Å; I601-V609 HydrophobicContact CD1-CG2 3.84Å; I601-V609 HydrophobicContact CG2-CG2 4.48Å; V609-Y611 PolarHBondContact O-N 3.4Å; V609-W614 HydrophobicContact CG1-CB 4.16Å; V609-W614 HydrophobicContact CG1-CG 4.42Å
610	D	88.8	Confident	76.6	Confident	55 Å²	55	65.1 Å²	65.1	29%	0.294	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	101.3	163.3	-178.5	-31.1	0	0	0	107.4	G572 V573 Q612 Q613 W614	G572-D610 WeakPolarHBondContact O-CA 2.99Å; V573-D610 HydrophobicContact CG1-CB 4.16Å; D610-Q612 VanDerWaalsContact C-N 3.32Å; D610-Q612 PolarHBondContact OD1-N 3.18Å; D610-Q612 VanDerWaalsContact OD1-N 3.13Å; D610-Q613 HydrophobicContact CB-CB 4.04Å; D610-Q613 VanDerWaalsContact CG-CB 3.5Å; D610-Q613 WeakPolarHBondContact OD1-CB 3.34Å; D610-Q613 PolarHBondContact OD1-N 2.94Å; D610-W614 VanDerWaalsContact O-CB 3.24Å; D610-W614 WeakPolarHBondContact O-CB 3.14Å; D610-W614 PolarHBondContact O-N 2.88Å
611	Y	86.6	Confident	74.9	Confident	1 Å²	1	69.3 Å²	69.3	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-75.2	-26.3	-173.2	64.5	-95.6	0	0	0	111.5	F563 D567 G572 I574 V609 W614 I615	F563-Y611 HydrophobicContact CB-CD1 4.19Å; F563-Y611 HydrophobicContact CB-CD2 3.93Å; F563-Y611 HydrophobicContact CB-CE1 4.43Å; F563-Y611 HydrophobicContact CB-CE2 4.19Å; F563-Y611 HydrophobicContact CB-CG 3.93Å; F563-Y611 AromaticContact CD2-CD2 3.82Å; F563-Y611 HydrophobicContact CD2-CD2 3.82Å; F563-Y611 AromaticContact CD2-CG 3.86Å; F563-Y611 HydrophobicContact CD2-CG 3.86Å; F563-Y611 HydrophobicContact CG-CD2 4.3Å; F563-Y611 HydrophobicContact CG-CG 4.15Å; D567-Y611 HydrophobicContact CB-CE1 4.24Å; D567-Y611 PolarHBondContact OD2-OH 2.82Å; G572-Y611 VanDerWaalsContact C-CD1 3.47Å; G572-Y611 VanDerWaalsContact CA-CE1 3.48Å; G572-Y611 WeakPolarHBondContact O-CD1 3.31Å; G572-Y611 WeakPolarHBondContact O-CE1 3.12Å; G572-Y611 PolarHBondContact O-N 3.47Å; G572-Y611 VanDerWaalsContact O-N 3.17Å; I574-Y611 HydrophobicContact CD1-CD1 4.44Å; I574-Y611 HydrophobicContact CG1-CD1 4.15Å; I574-Y611 HydrophobicContact CG2-CD1 3.88Å; I574-Y611 HydrophobicContact CG2-CE1 4.06Å; V609-Y611 PolarHBondContact O-N 3.4Å; Y611-W614 PolarHBondContact O-N 3.19Å; Y611-I615 WeakPolarHBondContact O-CB 3.46Å; Y611-I615 WeakPolarHBondContact O-CG1 3.45Å; Y611-I615 PolarHBondContact O-N 3.18Å
612	Q	84.6	Confident	72.8	Confident	85 Å²	85	74.6 Å²	74.6	40%	0.397	37%	0.371	S	S	.	.	H	α-helix	trans	-69.2	-45.6	175.5	-62.5	-173.1	-4.8	0	0	110.7	D610 R616	D610-Q612 VanDerWaalsContact C-N 3.32Å; D610-Q612 PolarHBondContact OD1-N 3.18Å; D610-Q612 VanDerWaalsContact OD1-N 3.13Å; Q612-R616 WeakPolarHBondContact O-CG 3.46Å; Q612-R616 PolarHBondContact O-N 2.9Å
613	Q	83.6	Confident	70.9	Confident	60 Å²	60	74.9 Å²	74.9	28%	0.28	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-42.2	173.8	-175.1	-179.6	-21.1	0	0	111.1	D610 R616 E617	D610-Q613 HydrophobicContact CB-CB 4.04Å; D610-Q613 VanDerWaalsContact CG-CB 3.5Å; D610-Q613 WeakPolarHBondContact OD1-CB 3.34Å; D610-Q613 PolarHBondContact OD1-N 2.94Å; Q613-R616 CarbonylContact O-C 3.59Å; Q613-R616 WeakPolarHBondContact O-CB 3.41Å; Q613-R616 PolarHBondContact O-N 3.37Å; Q613-E617 HydrophobicContact CG-CG 4.43Å; Q613-E617 PolarHBondContact NE2-OE1 3.31Å; Q613-E617 WeakPolarHBondContact O-CG 3.29Å; Q613-E617 PolarHBondContact O-N 3.23Å
614	W	85.8	Confident	69.2	Low	6 Å²	6	72.6 Å²	72.6	2%	0.023	38%	0.375	C	S	.	.	H	α-helix	trans	-61.9	-44	178.8	178.7	66.3	0	0	0	112.5	L552 F563 W579 L600 V609 D610 Y611 R616 E617 L618	L552-W614 HydrophobicContact CD1-CH2 4.28Å; L552-W614 HydrophobicContact CD1-CZ2 4.13Å; L552-W614 HydrophobicContact CD2-CH2 4.17Å; F563-W614 HydrophobicContact CE2-CE3 4.05Å; F563-W614 AromaticContact CE2-CZ3 3.73Å; F563-W614 HydrophobicContact CE2-CZ3 3.73Å; F563-W614 HydrophobicContact CZ-CE3 4.24Å; F563-W614 AromaticContact CZ-CZ3 3.64Å; F563-W614 HydrophobicContact CZ-CZ3 3.64Å; W579-W614 AromaticContact CE2-CZ2 3.94Å; W579-W614 HydrophobicContact CZ2-CH2 4.2Å; W579-W614 AromaticContact CZ2-CZ2 3.83Å; W579-W614 HydrophobicContact CZ2-CZ2 3.83Å; W579-W614 AromaticContact NE1-CD2 3.98Å; W579-W614 AromaticContact NE1-CE2 3.8Å; W579-W614 AromaticContact NE1-CE3 3.81Å; W579-W614 AromaticContact NE1-CH2 3.24Å; W579-W614 AromaticContact NE1-CZ2 3.43Å; W579-W614 AromaticContact NE1-CZ3 3.46Å; L600-W614 PolarHBondContact O-NE1 3.44Å; V609-W614 HydrophobicContact CG1-CB 4.16Å; V609-W614 HydrophobicContact CG1-CG 4.42Å; D610-W614 VanDerWaalsContact O-CB 3.24Å; D610-W614 WeakPolarHBondContact O-CB 3.14Å; D610-W614 PolarHBondContact O-N 2.88Å; Y611-W614 PolarHBondContact O-N 3.19Å; W614-R616 VanDerWaalsContact C-N 3.34Å; W614-R616 PolarHBondContact O-N 3.45Å; W614-E617 WeakPolarHBondContact O-CB 3.37Å; W614-E617 PolarHBondContact O-N 2.97Å; W614-E617 VanDerWaalsContact O-N 3.16Å; W614-L618 HydrophobicContact CD2-CD1 4.31Å; W614-L618 HydrophobicContact CE3-CD1 4.27Å; W614-L618 HydrophobicContact CH2-CD1 3.93Å; W614-L618 HydrophobicContact CZ2-CD1 3.95Å; W614-L618 HydrophobicContact CZ2-CD2 4.48Å; W614-L618 HydrophobicContact CZ3-CD1 4.07Å; W614-L618 WeakPolarHBondContact O-CG 3.22Å; W614-L618 PolarHBondContact O-N 3.24Å
615	I	82.1	Confident	67.8	Low	19 Å²	19	73.4 Å²	73.4	10%	0.097	38%	0.376	C	S	.	.	H	α-helix	trans	-60.8	-43.5	173.1	-68.8	-67.8	0	0	0	110.5	K556 L559 V560 F563 Y611 E617 L618 S619	K556-I615 HydrophobicContact CB-CD1 4.35Å; K556-I615 HydrophobicContact CB-CG2 4.28Å; L559-I615 HydrophobicContact CB-CD1 4.44Å; L559-I615 HydrophobicContact CD1-CD1 4.39Å; V560-I615 HydrophobicContact CG2-CG1 4.14Å; F563-I615 HydrophobicContact CE2-CD1 4.4Å; Y611-I615 WeakPolarHBondContact O-CB 3.46Å; Y611-I615 WeakPolarHBondContact O-CG1 3.45Å; Y611-I615 PolarHBondContact O-N 3.18Å; I615-E617 VanDerWaalsContact C-N 3.3Å; I615-E617 PolarHBondContact O-N 3.35Å; I615-L618 HydrophobicContact CD1-CD1 4.07Å; I615-L618 WeakPolarHBondContact O-CB 3.49Å; I615-L618 PolarHBondContact O-N 3.05Å; I615-L618 VanDerWaalsContact O-N 3.16Å; I615-S619 PolarHBondContact O-N 3.18Å; I615-S619 PolarHBondContact O-OG 3.16Å
616	R	77.6	Confident	66.5	Low	126 Å²	126	73.6 Å²	73.6	48%	0.475	38%	0.378	S	S	.	.	H	α-helix	trans	-59.8	-38.1	173.9	-73.2	-175	-65.1	-103.8	0.5	112.6	Q612 Q613 W614 S619 I620	Q612-R616 WeakPolarHBondContact O-CG 3.46Å; Q612-R616 PolarHBondContact O-N 2.9Å; Q613-R616 CarbonylContact O-C 3.59Å; Q613-R616 WeakPolarHBondContact O-CB 3.41Å; Q613-R616 PolarHBondContact O-N 3.37Å; W614-R616 VanDerWaalsContact C-N 3.34Å; W614-R616 PolarHBondContact O-N 3.45Å; R616-S619 VanDerWaalsContact O-CB 3.29Å; R616-S619 WeakPolarHBondContact O-CB 3.31Å; R616-S619 PolarHBondContact O-N 3.22Å; R616-S619 PolarHBondContact O-OG 3.3Å; R616-I620 WeakPolarHBondContact O-CD1 3.12Å; R616-I620 VanDerWaalsContact O-CG1 3.23Å; R616-I620 WeakPolarHBondContact O-CG1 3.47Å; R616-I620 PolarHBondContact O-N 2.88Å
617	E	76.3	Confident	64.8	Low	41 Å²	41	69.6 Å²	69.6	19%	0.192	37%	0.366	C	S	.	.	H	α-helix	trans	-67.3	-34.7	176.2	-74.5	178.2	-166.8	0	0	112.2	Q613 W614 I615 S619 I620 T621	Q613-E617 HydrophobicContact CG-CG 4.43Å; Q613-E617 PolarHBondContact NE2-OE1 3.31Å; Q613-E617 WeakPolarHBondContact O-CG 3.29Å; Q613-E617 PolarHBondContact O-N 3.23Å; W614-E617 WeakPolarHBondContact O-CB 3.37Å; W614-E617 PolarHBondContact O-N 2.97Å; W614-E617 VanDerWaalsContact O-N 3.16Å; I615-E617 VanDerWaalsContact C-N 3.3Å; I615-E617 PolarHBondContact O-N 3.35Å; E617-S619 PolarHBondContact O-N 2.89Å; E617-I620 PolarHBondContact O-N 3.44Å; E617-T621 PolarHBondContact O-OG1 2.88Å
618	L	71.7	Confident	63	Low	15 Å²	15	72.6 Å²	72.6	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-60.7	-37.7	170.6	-66.3	172.7	0	0	0	111	R549 L552 W614 I615 I620	R549-L618 HydrophobicContact CB-CD2 4.36Å; R549-L618 HydrophobicContact CG-CD2 3.92Å; L552-L618 HydrophobicContact CB-CD1 3.97Å; L552-L618 HydrophobicContact CD1-CD2 4.43Å; W614-L618 HydrophobicContact CD2-CD1 4.31Å; W614-L618 HydrophobicContact CE3-CD1 4.27Å; W614-L618 HydrophobicContact CH2-CD1 3.93Å; W614-L618 HydrophobicContact CZ2-CD1 3.95Å; W614-L618 HydrophobicContact CZ2-CD2 4.48Å; W614-L618 HydrophobicContact CZ3-CD1 4.07Å; W614-L618 WeakPolarHBondContact O-CG 3.22Å; W614-L618 PolarHBondContact O-N 3.24Å; I615-L618 HydrophobicContact CD1-CD1 4.07Å; I615-L618 WeakPolarHBondContact O-CB 3.49Å; I615-L618 PolarHBondContact O-N 3.05Å; I615-L618 VanDerWaalsContact O-N 3.16Å; L618-I620 VanDerWaalsContact C-N 3.29Å; L618-I620 PolarHBondContact O-N 2.95Å
619	S	59.5	Low	61.1	Low	34 Å²	34	76.1 Å²	76.1	24%	0.238	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.8	176.7	-30.3	0	0	0	0	115.1	I615 R616 E617 E622	I615-S619 PolarHBondContact O-N 3.18Å; I615-S619 PolarHBondContact O-OG 3.16Å; R616-S619 VanDerWaalsContact O-CB 3.29Å; R616-S619 WeakPolarHBondContact O-CB 3.31Å; R616-S619 PolarHBondContact O-N 3.22Å; R616-S619 PolarHBondContact O-OG 3.3Å; E617-S619 PolarHBondContact O-N 2.89Å; S619-E622 VanDerWaalsContact O-O 3.07Å
620	I	52.4	Low	59	Low	105 Å²	105	80 Å²	80	54%	0.538	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-7.9	-172.2	-69.8	163	0	0	0	112.3	R616 E617 L618	R616-I620 WeakPolarHBondContact O-CD1 3.12Å; R616-I620 VanDerWaalsContact O-CG1 3.23Å; R616-I620 WeakPolarHBondContact O-CG1 3.47Å; R616-I620 PolarHBondContact O-N 2.88Å; E617-I620 PolarHBondContact O-N 3.44Å; L618-I620 VanDerWaalsContact C-N 3.29Å; L618-I620 PolarHBondContact O-N 2.95Å
621	T	46.8	Very low	57	Low	93 Å²	93	80.8 Å²	80.8	57%	0.571	44%	0.435	S	S	*	.	S	Bend	trans	-87.6	-5.9	-173.8	-26.5	0	0	0	0	114.2	E617	E617-T621 PolarHBondContact O-OG1 2.88Å
622	E	38	Very low	55	Low	122 Å²	122	81.8 Å²	81.8	57%	0.57	44%	0.441	S	S	*	.	S	Bend	trans	-142.2	164.1	159.7	-80.5	-173.5	176.9	0	0	107	S619 K624	S619-E622 VanDerWaalsContact O-O 3.07Å; E622-K624 PolarHBondContact O-N 3.36Å
623	P	30.6	Very low	53	Low	127 Å²	127	79.2 Å²	79.2	83%	0.825	43%	0.429	S	S	*	.			trans	-59.5	138.3	-163.9	-15.3	27.7	0	0	0	113
624	K	32.4	Very low	51.2	Low	133 Å²	133	78.1 Å²	78.1	58%	0.578	42%	0.424	S	S	*	.			trans	-57.8	153.1	-179.4	-72.5	-176.7	171.6	-170.2	0	112.9	E622	E622-K624 PolarHBondContact O-N 3.36Å
625	P	39.9	Very low	49.1	Very low	56 Å²	56	80.1 Å²	80.1	36%	0.364	44%	0.437	S	S	.	.				-137.1	157.9	107.9	30.2	-13.9	0	0	0	114.5	T714	P625-T714 HydrophobicContact CB-CG2 4.07Å
626	E	41	Very low	47.1	Very low	161 Å²	161	79.7 Å²	79.7	75%	0.752	43%	0.434	S	S	*	.			trans	-90	122.8	171.8	-72.8	176.2	176	0	0	109.6
627	V	35.7	Very low	45.4	Very low	106 Å²	106	77.9 Å²	77.9	64%	0.642	43%	0.428	S	S	*	.			trans	-150.9	141	157.4	-174	0	0	0	0	110.8
628	S	39.2	Very low	43.9	Very low	99 Å²	99	79 Å²	79	69%	0.692	43%	0.432	S	S	*	.			trans	-79.4	144.4	171	51.1	0	0	0	0	113.4
629	D	44.3	Very low	42.5	Very low	154 Å²	154	80 Å²	80	82%	0.824	44%	0.438	S	S	*	.			trans	44.6	106.6	162.8	-72.3	-19.8	0	0	0	119.2
630	T	43	Very low	41.8	Very low	82 Å²	82	83.1 Å²	83.1	50%	0.503	45%	0.449	S	S	.	.			trans	-173.7	101.8	132.8	17.6	0	0	0	0	111.4	I632 M633	T630-I632 PolarHBondContact O-N 3.5Å; T630-M633 PolarHBondContact O-N 2.9Å
631	S	46.6	Very low	41.3	Very low	71 Å²	71	82 Å²	82	50%	0.497	45%	0.45	S	S	.	.	H	α-helix	trans	-53.9	-19.7	175.8	155.7	0	0	0	0	114.8	T635	S631-T635 PolarHBondContact O-OG1 3.31Å
632	I	43.9	Very low	41.3	Very low	23 Å²	23	78 Å²	78	12%	0.118	43%	0.425	C	S	.	.	H	α-helix	trans	-79.9	-45.4	-179	-72.8	163.2	0	0	0	111.7	T630 E634 T635 M636 W667 I678 L686	T630-I632 PolarHBondContact O-N 3.5Å; I632-E634 VanDerWaalsContact C-N 3.27Å; I632-E634 PolarHBondContact O-N 3.12Å; I632-T635 PolarHBondContact O-N 2.98Å; I632-M636 PolarHBondContact O-N 3.4Å; I632-W667 HydrophobicContact CB-CZ2 4.16Å; I632-W667 HydrophobicContact CG1-CZ2 4.16Å; I632-W667 HydrophobicContact CG2-CH2 4.03Å; I632-W667 HydrophobicContact CG2-CZ2 3.24Å; I632-I678 HydrophobicContact CD1-CD1 4.01Å; I632-I678 HydrophobicContact CD1-CG2 3.96Å; I632-I678 HydrophobicContact CG1-CD1 4.16Å; I632-L686 HydrophobicContact CG2-CD2 3.61Å
633	M	41.8	Very low	42.1	Very low	30 Å²	30	72.1 Å²	72.1	15%	0.148	40%	0.398	C	S	.	.	H	α-helix	trans	-66	-34.1	-178.5	-67	-63.2	-95.9	0	0	111.1	T630 M636 Y637 L686 F707 V710	T630-M633 PolarHBondContact O-N 2.9Å; M633-M636 PolarHBondContact O-N 3.15Å; M633-Y637 VanDerWaalsContact O-CB 3.28Å; M633-Y637 WeakPolarHBondContact O-CB 3.25Å; M633-Y637 PolarHBondContact O-N 3.42Å; M633-L686 HydrophobicContact CG-CD1 4.44Å; M633-L686 HydrophobicContact SD-CD1 3.93Å; M633-F707 HydrophobicContact CE-CD1 3.91Å; M633-F707 HydrophobicContact CE-CE1 3.94Å; M633-F707 HydrophobicContact SD-CD1 4.2Å; M633-F707 HydrophobicContact SD-CE1 3.71Å; M633-V710 HydrophobicContact CE-CG2 4.39Å
634	E	45.9	Very low	43	Very low	38 Å²	38	70.7 Å²	70.7	18%	0.178	38%	0.38	C	S	.	.	H	α-helix	trans	-68.6	-33.3	175.5	-68.2	-177.5	155.1	0	0	113.2	K556 S557 I632 M636 Y637 K638	K556-E634 WeakPolarHBondContact CE-OE1 3.47Å; K556-E634 IonicContact NZ-OE1 2.82Å; S557-E634 WeakPolarHBondContact CB-OE2 3.37Å; S557-E634 PolarHBondContact OG-OE1 3.02Å; S557-E634 PolarHBondContact OG-OE2 3.39Å; I632-E634 VanDerWaalsContact C-N 3.27Å; I632-E634 PolarHBondContact O-N 3.12Å; E634-M636 VanDerWaalsContact C-N 3.31Å; E634-Y637 PolarHBondContact O-N 3.46Å; E634-K638 WeakPolarHBondContact O-CB 3.12Å; E634-K638 WeakPolarHBondContact O-CG 3.12Å; E634-K638 PolarHBondContact O-N 3.17Å
635	T	41.8	Very low	43.9	Very low	47 Å²	47	66.2 Å²	66.2	29%	0.288	36%	0.364	S	S	.	.	H	α-helix	trans	-69.5	-31.4	176.2	-54.5	0	0	0	0	111.9	S631 I632	S631-T635 PolarHBondContact O-OG1 3.31Å; I632-T635 PolarHBondContact O-N 2.98Å
636	M	41.1	Very low	44.7	Very low	10 Å²	10	64.6 Å²	64.6	5%	0.049	35%	0.352	C	S	.	.	H	α-helix	trans	-77.7	-40.4	172.9	-66.1	-82.1	-134.1	0	0	111.6	I632 M633 E634 N639 L643 I646 W667 F707	I632-M636 PolarHBondContact O-N 3.4Å; M633-M636 PolarHBondContact O-N 3.15Å; E634-M636 VanDerWaalsContact C-N 3.31Å; M636-N639 CarbonylContact O-C 3.37Å; M636-N639 VanDerWaalsContact O-C 3.3Å; M636-N639 WeakPolarHBondContact O-CA 3.33Å; M636-N639 PolarHBondContact O-N 3.24Å; M636-L643 HydrophobicContact CB-CD2 4.06Å; M636-I646 HydrophobicContact CE-CG2 4.47Å; M636-I646 HydrophobicContact SD-CD1 4.39Å; M636-I646 HydrophobicContact SD-CG2 4.23Å; M636-W667 HydrophobicContact CE-CE3 4.06Å; M636-W667 HydrophobicContact CE-CH2 3.48Å; M636-W667 VanDerWaalsContact CE-CH2 3.48Å; M636-W667 HydrophobicContact CE-CZ3 3.13Å; M636-W667 HydrophobicContact CG-CH2 3.95Å; M636-W667 HydrophobicContact SD-CH2 3.87Å; M636-W667 HydrophobicContact SD-CZ3 3.88Å; M636-F707 HydrophobicContact CB-CD1 4.49Å; M636-F707 HydrophobicContact CB-CE1 3.83Å; M636-F707 HydrophobicContact CB-CZ 4.39Å; M636-F707 HydrophobicContact CE-CZ 4.35Å; M636-F707 HydrophobicContact CG-CE1 4.24Å; M636-F707 HydrophobicContact CG-CZ 4.5Å
637	Y	42.3	Very low	45.5	Very low	88 Å²	88	57.1 Å²	57.1	35%	0.345	32%	0.317	S	S	.	.	H	α-helix	trans	-67.2	-34	177.2	-157.1	-90.3	0	0	0	112.6	M633 E634 N639 H640	M633-Y637 VanDerWaalsContact O-CB 3.28Å; M633-Y637 WeakPolarHBondContact O-CB 3.25Å; M633-Y637 PolarHBondContact O-N 3.42Å; E634-Y637 PolarHBondContact O-N 3.46Å; Y637-N639 PolarHBondContact O-N 3.46Å; Y637-H640 WeakPolarHBondContact O-CB 3.46Å; Y637-H640 PolarHBondContact O-N 3.32Å
638	K	44.5	Very low	46.5	Very low	65 Å²	65	56 Å²	56	28%	0.283	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-24.3	167	-83.7	167.9	-176.4	175.1	0	112.6	V554 D558 E634	V554-K638 HydrophobicContact CG1-CB 4.37Å; V554-K638 HydrophobicContact CG1-CD 4.44Å; V554-K638 HydrophobicContact CG1-CG 3.42Å; V554-K638 VanDerWaalsContact CG1-CG 3.42Å; V554-K638 WeakPolarHBondContact O-CE 3.4Å; D558-K638 IonicContact OD1-NZ 3.95Å; D558-K638 IonicContact OD2-NZ 2.73Å; D558-K638 PolarHBondContact OD2-NZ 3.43Å; E634-K638 WeakPolarHBondContact O-CB 3.12Å; E634-K638 WeakPolarHBondContact O-CG 3.12Å; E634-K638 PolarHBondContact O-N 3.17Å
639	N	42.4	Very low	47.2	Very low	37 Å²	37	53.1 Å²	53.1	20%	0.198	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	34.4	-179.4	-75.6	-50.7	0	0	0	112.2	M636 Y637 S641 N642 L643 I646	M636-N639 CarbonylContact O-C 3.37Å; M636-N639 VanDerWaalsContact O-C 3.3Å; M636-N639 WeakPolarHBondContact O-CA 3.33Å; M636-N639 PolarHBondContact O-N 3.24Å; Y637-N639 PolarHBondContact O-N 3.46Å; N639-S641 PolarHBondContact O-N 2.68Å; N639-N642 HydrophobicContact CB-CB 4.18Å; N639-N642 CarbonylContact O-C 3.35Å; N639-N642 WeakPolarHBondContact O-CA 3.37Å; N639-N642 WeakPolarHBondContact O-CB 3.34Å; N639-N642 PolarHBondContact O-N 2.93Å; N639-N642 PolarHBondContact OD1-ND2 3.49Å; N639-L643 PolarHBondContact O-N 3.02Å; N639-I646 HydrophobicContact CB-CD1 4.33Å
640	H	43.4	Very low	48.1	Very low	99 Å²	99	45.9 Å²	45.9	46%	0.458	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-53.3	-32.3	-176.1	-173.4	-82.4	0	0	0	114.1	Y637 N642 L643	Y637-H640 WeakPolarHBondContact O-CB 3.46Å; Y637-H640 PolarHBondContact O-N 3.32Å; H640-N642 PolarHBondContact O-N 3.4Å; H640-L643 HydrophobicContact CB-CD1 4.43Å
641	S	41.7	Very low	49.1	Very low	81 Å²	81	42.4 Å²	42.4	57%	0.566	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-68.6	-21.4	173.5	58	0	0	0	0	114	N639	N639-S641 PolarHBondContact O-N 2.68Å
642	N	48.6	Very low	49.4	Very low	8 Å²	8	41.5 Å²	41.5	4%	0.043	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-104.5	-4.1	-174.3	-51.7	-25.5	0	0	0	112.1	N639 H640 E644 T645 I646	N639-N642 HydrophobicContact CB-CB 4.18Å; N639-N642 CarbonylContact O-C 3.35Å; N639-N642 WeakPolarHBondContact O-CA 3.37Å; N639-N642 WeakPolarHBondContact O-CB 3.34Å; N639-N642 PolarHBondContact O-N 2.93Å; N639-N642 PolarHBondContact OD1-ND2 3.49Å; H640-N642 PolarHBondContact O-N 3.4Å; N642-E644 VanDerWaalsContact C-N 3.26Å; N642-E644 PolarHBondContact O-N 3.43Å; N642-T645 CarbonylContact O-C 3.5Å; N642-T645 VanDerWaalsContact O-CA 3.32Å; N642-T645 WeakPolarHBondContact O-CA 3.38Å; N642-T645 VanDerWaalsContact O-CB 3.25Å; N642-T645 WeakPolarHBondContact O-CB 3.45Å; N642-T645 PolarHBondContact O-N 3.46Å; N642-I646 HydrophobicContact CB-CD1 4.32Å; N642-I646 WeakPolarHBondContact O-CG1 3.12Å; N642-I646 PolarHBondContact O-N 2.96Å
643	L	52.8	Low	50	Low	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-38.8	-179.9	-73.5	173.4	0	0	0	112.3	M636 N639 H640 T645 I646 F647 F703 M704 F707	M636-L643 HydrophobicContact CB-CD2 4.06Å; N639-L643 PolarHBondContact O-N 3.02Å; H640-L643 HydrophobicContact CB-CD1 4.43Å; L643-T645 VanDerWaalsContact C-N 3.26Å; L643-T645 PolarHBondContact O-N 2.72Å; L643-I646 HydrophobicContact CD2-CD1 4.49Å; L643-I646 PolarHBondContact O-N 3.37Å; L643-F647 WeakPolarHBondContact O-CB 3.08Å; L643-F647 PolarHBondContact O-N 2.87Å; L643-F703 HydrophobicContact CB-CE1 4.45Å; L643-F703 HydrophobicContact CD2-CE1 4.41Å; L643-F703 WeakPolarHBondContact O-CE1 3.41Å; L643-M704 HydrophobicContact CB-SD 3.99Å; L643-F707 HydrophobicContact CD1-CB 4.08Å; L643-F707 HydrophobicContact CD1-CD2 4.06Å; L643-F707 HydrophobicContact CD1-CG 4Å; L643-F707 HydrophobicContact CD2-CD2 4.07Å; L643-F707 HydrophobicContact CD2-CE1 4.48Å; L643-F707 HydrophobicContact CD2-CE2 4.09Å; L643-F707 HydrophobicContact CD2-CG 4.38Å; L643-F707 HydrophobicContact CD2-CZ 4.29Å
644	E	51.5	Low	50.4	Low	97 Å²	97	46.8 Å²	46.8	45%	0.453	24%	0.235	S	C	.	.	H	α-helix	trans	-65.5	-32.3	173.9	-165.7	-175	162.3	0	0	112	N642 R648 I700	N642-E644 VanDerWaalsContact C-N 3.26Å; N642-E644 PolarHBondContact O-N 3.43Å; E644-R648 VanDerWaalsContact O-CD 3.31Å; E644-R648 WeakPolarHBondContact O-CD 3.48Å; E644-R648 WeakPolarHBondContact O-CG 3.49Å; E644-R648 PolarHBondContact O-N 3.37Å; E644-R648 IonicContact OE1-CZ 2.72Å; E644-R648 IonicContact OE1-NE 3.61Å; E644-R648 PolarHBondContact OE1-NE 2.93Å; E644-R648 IonicContact OE1-NH2 2.76Å; E644-R648 PolarHBondContact OE1-NH2 3.15Å; E644-I700 HydrophobicContact CG-CD1 4.37Å
645	T	50.2	Low	51.1	Low	39 Å²	39	48 Å²	48	24%	0.239	25%	0.247	C	C	.	.	H	α-helix	trans	-73.1	-42.9	175.3	-56.7	0	0	0	0	110.5	N642 L643 R648 I649	N642-T645 CarbonylContact O-C 3.5Å; N642-T645 VanDerWaalsContact O-CA 3.32Å; N642-T645 WeakPolarHBondContact O-CA 3.38Å; N642-T645 VanDerWaalsContact O-CB 3.25Å; N642-T645 WeakPolarHBondContact O-CB 3.45Å; N642-T645 PolarHBondContact O-N 3.46Å; L643-T645 VanDerWaalsContact C-N 3.26Å; L643-T645 PolarHBondContact O-N 2.72Å; T645-R648 PolarHBondContact O-N 3.02Å; T645-I649 HydrophobicContact CG2-CD1 3.97Å; T645-I649 WeakPolarHBondContact O-CG1 3.5Å; T645-I649 PolarHBondContact O-N 3.43Å; T645-I649 VanDerWaalsContact O-N 3.08Å
646	I	55.8	Low	52	Low	21 Å²	21	47.3 Å²	47.3	11%	0.108	25%	0.25	C	C	.	.	H	α-helix	trans	-63.8	-45.5	177.5	-66.4	164.8	0	0	0	110.2	F65 M636 N639 N642 L643 R648 I649 I650 F703	F65-I646 HydrophobicContact CZ-CG1 4.36Å; M636-I646 HydrophobicContact CE-CG2 4.47Å; M636-I646 HydrophobicContact SD-CD1 4.39Å; M636-I646 HydrophobicContact SD-CG2 4.23Å; N639-I646 HydrophobicContact CB-CD1 4.33Å; N642-I646 HydrophobicContact CB-CD1 4.32Å; N642-I646 WeakPolarHBondContact O-CG1 3.12Å; N642-I646 PolarHBondContact O-N 2.96Å; L643-I646 HydrophobicContact CD2-CD1 4.49Å; L643-I646 PolarHBondContact O-N 3.37Å; I646-R648 VanDerWaalsContact C-N 3.32Å; I646-R648 PolarHBondContact O-N 3.11Å; I646-I649 WeakPolarHBondContact O-CB 3.26Å; I646-I649 PolarHBondContact O-N 3.31Å; I646-I650 HydrophobicContact CG2-CD1 3.6Å; I646-I650 HydrophobicContact CG2-CG1 4.25Å; I646-I650 VanDerWaalsContact O-CG1 3.32Å; I646-I650 WeakPolarHBondContact O-CG1 3.33Å; I646-I650 PolarHBondContact O-N 3.05Å; I646-F703 HydrophobicContact CG2-CZ 4.14Å
647	F	58.2	Low	53.4	Low	4 Å²	4	49.8 Å²	49.8	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-52.1	-51.9	175	-179	-97.1	0	0	0	111.1	L643 I649 I650 D651 G656 I658 I700 F703	L643-F647 WeakPolarHBondContact O-CB 3.08Å; L643-F647 PolarHBondContact O-N 2.87Å; F647-I649 PolarHBondContact O-N 2.85Å; F647-I650 PolarHBondContact O-N 3.3Å; F647-D651 HydrophobicContact CE1-CB 4.42Å; F647-D651 VanDerWaalsContact O-CB 3.32Å; F647-D651 WeakPolarHBondContact O-CB 3.45Å; F647-D651 PolarHBondContact O-N 2.85Å; F647-G656 WeakPolarHBondContact CZ-O 3.07Å; F647-I658 HydrophobicContact CD2-CD1 3.26Å; F647-I658 HydrophobicContact CD2-CG1 4Å; F647-I658 HydrophobicContact CE2-CD1 3.42Å; F647-I658 VanDerWaalsContact CE2-CD1 3.42Å; F647-I658 HydrophobicContact CE2-CG1 3.69Å; F647-I658 HydrophobicContact CG-CD1 4.14Å; F647-I658 HydrophobicContact CZ-CD1 4.36Å; F647-I658 HydrophobicContact CZ-CG1 4.23Å; F647-I700 HydrophobicContact CD1-CB 3.99Å; F647-I700 HydrophobicContact CD1-CD1 3.85Å; F647-I700 HydrophobicContact CD1-CG1 3.73Å; F647-I700 HydrophobicContact CD2-CG1 4.42Å; F647-I700 HydrophobicContact CE1-CB 3.54Å; F647-I700 HydrophobicContact CE1-CD1 4.11Å; F647-I700 HydrophobicContact CE1-CG1 3.85Å; F647-I700 VanDerWaalsContact CE2-CA 3.45Å; F647-I700 HydrophobicContact CE2-CB 4.1Å; F647-I700 HydrophobicContact CE2-CG1 4.49Å; F647-I700 HydrophobicContact CG-CB 4.47Å; F647-I700 HydrophobicContact CG-CD1 4.5Å; F647-I700 HydrophobicContact CG-CG1 4.05Å; F647-I700 HydrophobicContact CZ-CB 3.6Å; F647-I700 HydrophobicContact CZ-CG1 4.23Å; F647-F703 HydrophobicContact CB-CD1 3.72Å; F647-F703 HydrophobicContact CB-CE1 3.64Å; F647-F703 HydrophobicContact CB-CG 4.43Å; F647-F703 HydrophobicContact CB-CZ 4.27Å; F647-F703 HydrophobicContact CD2-CB 3.44Å; F647-F703 VanDerWaalsContact CD2-CB 3.44Å; F647-F703 AromaticContact CD2-CD1 3.46Å; F647-F703 HydrophobicContact CD2-CD1 3.46Å; F647-F703 VanDerWaalsContact CD2-CD1 3.46Å; F647-F703 AromaticContact CD2-CD2 3.82Å; F647-F703 HydrophobicContact CD2-CD2 3.82Å; F647-F703 HydrophobicContact CD2-CE1 4.08Å; F647-F703 HydrophobicContact CD2-CE2 4.39Å; F647-F703 AromaticContact CD2-CG 3.32Å; F647-F703 HydrophobicContact CD2-CG 3.32Å; F647-F703 HydrophobicContact CD2-CZ 4.5Å; F647-F703 HydrophobicContact CE2-CB 3.62Å; F647-F703 HydrophobicContact CE2-CD1 4.48Å; F647-F703 HydrophobicContact CE2-CD2 4.43Å; F647-F703 AromaticContact CE2-CG 3.99Å; F647-F703 HydrophobicContact CE2-CG 3.99Å; F647-F703 HydrophobicContact CG-CD1 4Å; F647-F703 HydrophobicContact CG-CE1 4.36Å; F647-F703 HydrophobicContact CG-CG 4.3Å
648	R	57	Low	55	Low	84 Å²	84	45.6 Å²	45.6	32%	0.317	25%	0.247	S	C	.	.	H	α-helix	trans	-67.4	-19.5	179.7	-67.2	168.9	-174.5	-90.7	3.1	113.9	I82 E644 T645 I646	I82-R648 HydrophobicContact CD1-CB 3.48Å; I82-R648 VanDerWaalsContact CD1-CB 3.48Å; I82-R648 WeakPolarHBondContact CD1-O 3.46Å; E644-R648 VanDerWaalsContact O-CD 3.31Å; E644-R648 WeakPolarHBondContact O-CD 3.48Å; E644-R648 WeakPolarHBondContact O-CG 3.49Å; E644-R648 PolarHBondContact O-N 3.37Å; E644-R648 IonicContact OE1-CZ 2.72Å; E644-R648 IonicContact OE1-NE 3.61Å; E644-R648 PolarHBondContact OE1-NE 2.93Å; E644-R648 IonicContact OE1-NH2 2.76Å; E644-R648 PolarHBondContact OE1-NH2 3.15Å; T645-R648 PolarHBondContact O-N 3.02Å; I646-R648 VanDerWaalsContact C-N 3.32Å; I646-R648 PolarHBondContact O-N 3.11Å
649	I	53.5	Low	56.4	Low	38 Å²	38	44.4 Å²	44.4	20%	0.195	25%	0.246	C	C	.	.	H	α-helix	trans	-82.2	-38.7	175.3	-71.3	168.3	0	0	0	110.3	F65 I82 T645 I646 F647	F65-I649 HydrophobicContact CD1-CD1 3.8Å; F65-I649 HydrophobicContact CE1-CD1 3.37Å; F65-I649 HydrophobicContact CZ-CD1 3.81Å; I82-I649 HydrophobicContact CD1-CB 4.24Å; I82-I649 HydrophobicContact CD1-CG1 3.42Å; I82-I649 VanDerWaalsContact CD1-CG1 3.42Å; I82-I649 HydrophobicContact CG1-CG1 4.02Å; I82-I649 HydrophobicContact CG2-CG1 3.99Å; T645-I649 HydrophobicContact CG2-CD1 3.97Å; T645-I649 WeakPolarHBondContact O-CG1 3.5Å; T645-I649 PolarHBondContact O-N 3.43Å; T645-I649 VanDerWaalsContact O-N 3.08Å; I646-I649 WeakPolarHBondContact O-CB 3.26Å; I646-I649 PolarHBondContact O-N 3.31Å; F647-I649 PolarHBondContact O-N 2.85Å
650	I	64.3	Low	58	Low	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-75.6	-36.4	178.9	-58.9	165.4	0	0	0	110.6	I646 F647 T652 I658 E662 F663 T666 F703	I646-I650 HydrophobicContact CG2-CD1 3.6Å; I646-I650 HydrophobicContact CG2-CG1 4.25Å; I646-I650 VanDerWaalsContact O-CG1 3.32Å; I646-I650 WeakPolarHBondContact O-CG1 3.33Å; I646-I650 PolarHBondContact O-N 3.05Å; F647-I650 PolarHBondContact O-N 3.3Å; I650-T652 WeakPolarHBondContact O-CG2 3.24Å; I650-T652 PolarHBondContact O-N 2.96Å; I650-I658 HydrophobicContact CB-CD1 3.74Å; I650-I658 HydrophobicContact CB-CG1 4.09Å; I650-I658 HydrophobicContact CD1-CD1 4.34Å; I650-I658 HydrophobicContact CG2-CB 4.28Å; I650-I658 HydrophobicContact CG2-CD1 3.78Å; I650-I658 HydrophobicContact CG2-CG1 3.89Å; I650-I658 HydrophobicContact CG2-CG2 3.42Å; I650-I658 VanDerWaalsContact CG2-CG2 3.42Å; I650-E662 HydrophobicContact CG2-CB 4.33Å; I650-E662 WeakPolarHBondContact O-CB 3.38Å; I650-F663 HydrophobicContact CG2-CD2 4.48Å; I650-T666 HydrophobicContact CG1-CG2 3.95Å; I650-F703 HydrophobicContact CD1-CE2 4.01Å; I650-F703 HydrophobicContact CD1-CZ 4.11Å
651	D	62.9	Low	59.2	Low	9 Å²	9	44.3 Å²	44.3	5%	0.048	24%	0.244	C	C	.	.			trans	-70.4	78.7	171.5	177	13.2	0	0	0	109.7	F647 D653 H654 S655 G656 I658	F647-D651 HydrophobicContact CE1-CB 4.42Å; F647-D651 VanDerWaalsContact O-CB 3.32Å; F647-D651 WeakPolarHBondContact O-CB 3.45Å; F647-D651 PolarHBondContact O-N 2.85Å; D651-D653 VanDerWaalsContact C-N 3.32Å; D651-D653 VanDerWaalsContact OD1-OD1 3.08Å; D651-H654 PolarHBondContact O-N 3.43Å; D651-H654 PolarHBondContact O-ND1 3.27Å; D651-H654 WeakPolarHBondContact OD1-CA 3.29Å; D651-H654 PolarHBondContact OD1-N 2.88Å; D651-H654 WeakPolarHBondContact OD2-CA 3.27Å; D651-S655 PolarHBondContact OD1-N 2.97Å; D651-S655 VanDerWaalsContact OD1-N 3.1Å; D651-G656 VanDerWaalsContact OD2-CA 3.31Å; D651-G656 WeakPolarHBondContact OD2-CA 3.47Å; D651-G656 PolarHBondContact OD2-N 3.38Å; D651-I658 HydrophobicContact CB-CG1 4.06Å
652	T	54.3	Low	60.6	Low	51 Å²	51	41.1 Å²	41.1	31%	0.313	22%	0.221	S	C	.	.	S	Bend	trans	-75.6	-24.5	-171.3	72.4	0	0	0	0	112.5	I650 E662	I650-T652 WeakPolarHBondContact O-CG2 3.24Å; I650-T652 PolarHBondContact O-N 2.96Å; T652-E662 WeakPolarHBondContact CA-OE1 3.45Å; T652-E662 WeakPolarHBondContact CB-OE1 3.35Å; T652-E662 HydrophobicContact CG2-CG 4.2Å; T652-E662 PolarHBondContact N-OE1 3.4Å; T652-E662 PolarHBondContact OG1-OE1 3.13Å
653	D	55.3	Low	61.7	Low	89 Å²	89	40.8 Å²	40.8	48%	0.476	22%	0.219	S	C	.	.	S	Bend	trans	-94.6	-6	176.9	73.2	3.3	0	0	0	114	D651 S655 E662	D651-D653 VanDerWaalsContact C-N 3.32Å; D651-D653 VanDerWaalsContact OD1-OD1 3.08Å; D653-S655 PolarHBondContact O-N 3.37Å; D653-S655 WeakPolarHBondContact OD1-CB 3.32Å; D653-S655 PolarHBondContact OD1-N 3.47Å; D653-S655 PolarHBondContact OD1-OG 2.95Å; D653-E662 PolarHBondContact N-OE1 2.87Å
654	H	50.6	Low	62.5	Low	75 Å²	75	44.9 Å²	44.9	35%	0.347	23%	0.234	S	C	.	.			trans	58.1	27.4	-179.6	-59.4	-26.6	0	0	0	113.6	E78 R79 D651 G656	E78-H654 PolarHBondContact O-CD2 3.45Å; R79-H654 WeakPolarHBondContact CA-NE2 3.08Å; D651-H654 PolarHBondContact O-N 3.43Å; D651-H654 PolarHBondContact O-ND1 3.27Å; D651-H654 WeakPolarHBondContact OD1-CA 3.29Å; D651-H654 PolarHBondContact OD1-N 2.88Å; D651-H654 WeakPolarHBondContact OD2-CA 3.27Å; H654-G656 PolarHBondContact O-N 2.9Å
655	S	61.7	Low	63.2	Low	63 Å²	63	44.3 Å²	44.3	44%	0.441	23%	0.232	S	C	.	.	S	Bend	trans	-64.9	-14.8	172.5	61	0	0	0	0	112	D651 D653 L657	D651-S655 PolarHBondContact OD1-N 2.97Å; D651-S655 VanDerWaalsContact OD1-N 3.1Å; D653-S655 PolarHBondContact O-N 3.37Å; D653-S655 WeakPolarHBondContact OD1-CB 3.32Å; D653-S655 PolarHBondContact OD1-N 3.47Å; D653-S655 PolarHBondContact OD1-OG 2.95Å; S655-L657 PolarHBondContact OG-N 3.43Å; S655-L657 PolarHBondContact OG-O 3.03Å
656	G	60.1	Low	63.9	Low	33 Å²	33	43.2 Å²	43.2	34%	0.34	23%	0.225	S	C	.	.	S	Bend	trans	78.4	9.2	-169.3	0	0	0	0	0	112.3	F647 D651 H654	F647-G656 WeakPolarHBondContact CZ-O 3.07Å; D651-G656 VanDerWaalsContact OD2-CA 3.31Å; D651-G656 WeakPolarHBondContact OD2-CA 3.47Å; D651-G656 PolarHBondContact OD2-N 3.38Å; H654-G656 PolarHBondContact O-N 2.9Å
657	L	70.6	Confident	64.2	Low	62 Å²	62	42.9 Å²	42.9	33%	0.325	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.7	179.5	-54.6	173.3	0	0	0	108	S655 I698 D699	S655-L657 PolarHBondContact OG-N 3.43Å; S655-L657 PolarHBondContact OG-O 3.03Å; L657-I698 CarbonylContact C-O 3.57Å; L657-D699 HydrophobicContact CD2-CB 3.24Å
658	I	74.6	Confident	64.5	Low	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	118.3	173.5	-69.6	167.8	0	0	0	108.4	F647 I650 D651 E662 F663 S697 I698 F703	F647-I658 HydrophobicContact CD2-CD1 3.26Å; F647-I658 HydrophobicContact CD2-CG1 4Å; F647-I658 HydrophobicContact CE2-CD1 3.42Å; F647-I658 VanDerWaalsContact CE2-CD1 3.42Å; F647-I658 HydrophobicContact CE2-CG1 3.69Å; F647-I658 HydrophobicContact CG-CD1 4.14Å; F647-I658 HydrophobicContact CZ-CD1 4.36Å; F647-I658 HydrophobicContact CZ-CG1 4.23Å; I650-I658 HydrophobicContact CB-CD1 3.74Å; I650-I658 HydrophobicContact CB-CG1 4.09Å; I650-I658 HydrophobicContact CD1-CD1 4.34Å; I650-I658 HydrophobicContact CG2-CB 4.28Å; I650-I658 HydrophobicContact CG2-CD1 3.78Å; I650-I658 HydrophobicContact CG2-CG1 3.89Å; I650-I658 HydrophobicContact CG2-CG2 3.42Å; I650-I658 VanDerWaalsContact CG2-CG2 3.42Å; D651-I658 HydrophobicContact CB-CG1 4.06Å; I658-E662 HydrophobicContact CG2-CB 4.48Å; I658-F663 HydrophobicContact CG2-CB 3.82Å; I658-F663 HydrophobicContact CG2-CD2 4.15Å; I658-F663 HydrophobicContact CG2-CG 4.49Å; I658-S697 CarbonylContact O-C 3.49Å; I658-S697 WeakPolarHBondContact O-CA 3.44Å; I658-I698 HydrophobicContact CB-CB 4.18Å; I658-I698 PolarHBondContact N-O 3.23Å; I658-I698 PolarHBondContact O-N 3.48Å; I658-F703 HydrophobicContact CD1-CD2 3.66Å; I658-F703 HydrophobicContact CD1-CE2 3.78Å; I658-F703 HydrophobicContact CD1-CG 4.35Å
659	S	75.2	Confident	64.4	Low	40 Å²	40	44.9 Å²	44.9	28%	0.28	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	153.4	170.2	70.2	0	0	0	0	111.6	E661 E662 F663	S659-E661 PolarHBondContact O-N 2.98Å; S659-E662 VanDerWaalsContact CB-OE2 3.32Å; S659-E662 WeakPolarHBondContact CB-OE2 3.44Å; S659-E662 PolarHBondContact N-OE2 3.37Å; S659-E662 PolarHBondContact O-N 3.45Å; S659-E662 VanDerWaalsContact O-N 3.16Å; S659-E662 VanDerWaalsContact OG-CD 3.28Å; S659-E662 WeakPolarHBondContact OG-CG 3.4Å; S659-E662 PolarHBondContact OG-N 2.89Å; S659-E662 PolarHBondContact OG-OE2 3.21Å; S659-F663 PolarHBondContact O-N 3.36Å
660	F	76.1	Confident	64.3	Low	54 Å²	54	44.1 Å²	44.1	24%	0.237	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-26.4	177.4	-73.5	4.7	0	0	0	113.1	R664 A687 Q688 D691 I698	F660-R664 WeakPolarHBondContact O-CB 3.18Å; F660-R664 PolarHBondContact O-N 2.75Å; F660-A687 HydrophobicContact CD1-CB 3.8Å; F660-A687 HydrophobicContact CD2-CB 4.44Å; F660-A687 HydrophobicContact CE1-CB 3.99Å; F660-A687 WeakPolarHBondContact CE1-O 3.38Å; F660-A687 HydrophobicContact CG-CB 4.04Å; F660-A687 HydrophobicContact CZ-CB 4.41Å; F660-Q688 HydrophobicContact CE2-CG 3.65Å; F660-Q688 HydrophobicContact CZ-CG 4.13Å; F660-D691 HydrophobicContact CE1-CB 3.88Å; F660-D691 HydrophobicContact CZ-CB 3.76Å; F660-I698 HydrophobicContact CD1-CD1 4.39Å; F660-I698 HydrophobicContact CD1-CG1 4.37Å; F660-I698 HydrophobicContact CE1-CD1 4.21Å; F660-I698 HydrophobicContact CE1-CG1 3.94Å
661	E	69.2	Low	63.9	Low	81 Å²	81	45 Å²	45	38%	0.379	24%	0.238	S	C	.	.	H	α-helix	trans	-71.6	-43.4	176.2	-172	57.8	-151.2	0	0	111.3	S659 R664 Q665	S659-E661 PolarHBondContact O-N 2.98Å; E661-R664 PolarHBondContact O-N 3.48Å; E661-R664 IonicContact OE1-CZ 2.87Å; E661-R664 IonicContact OE1-NE 3.43Å; E661-R664 IonicContact OE1-NH2 3.37Å; E661-R664 PolarHBondContact OE1-NH2 3.24Å; E661-R664 IonicContact OE2-CZ 3.02Å; E661-R664 IonicContact OE2-NE 3.75Å; E661-R664 PolarHBondContact OE2-NE 3.27Å; E661-R664 IonicContact OE2-NH1 3.33Å; E661-R664 IonicContact OE2-NH2 3.09Å; E661-R664 PolarHBondContact OE2-NH2 2.75Å; E661-Q665 WeakPolarHBondContact O-CB 3.42Å; E661-Q665 VanDerWaalsContact O-CG 3.26Å; E661-Q665 WeakPolarHBondContact O-CG 3.49Å; E661-Q665 PolarHBondContact O-N 2.68Å; E661-Q665 PolarHBondContact OE1-NE2 3.2Å
662	E	69.9	Low	63.5	Low	14 Å²	14	49 Å²	49	7%	0.065	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-42.8	174.9	-72.7	167.6	127.9	0	0	111.9	I650 T652 D653 I658 S659 T666	I650-E662 HydrophobicContact CG2-CB 4.33Å; I650-E662 WeakPolarHBondContact O-CB 3.38Å; T652-E662 WeakPolarHBondContact CA-OE1 3.45Å; T652-E662 WeakPolarHBondContact CB-OE1 3.35Å; T652-E662 HydrophobicContact CG2-CG 4.2Å; T652-E662 PolarHBondContact N-OE1 3.4Å; T652-E662 PolarHBondContact OG1-OE1 3.13Å; D653-E662 PolarHBondContact N-OE1 2.87Å; I658-E662 HydrophobicContact CG2-CB 4.48Å; S659-E662 VanDerWaalsContact CB-OE2 3.32Å; S659-E662 WeakPolarHBondContact CB-OE2 3.44Å; S659-E662 PolarHBondContact N-OE2 3.37Å; S659-E662 PolarHBondContact O-N 3.45Å; S659-E662 VanDerWaalsContact O-N 3.16Å; S659-E662 VanDerWaalsContact OG-CD 3.28Å; S659-E662 WeakPolarHBondContact OG-CG 3.4Å; S659-E662 PolarHBondContact OG-N 2.89Å; S659-E662 PolarHBondContact OG-OE2 3.21Å; E662-T666 WeakPolarHBondContact O-CB 3.11Å; E662-T666 PolarHBondContact O-N 2.86Å; E662-T666 PolarHBondContact O-OG1 2.95Å
663	F	71.5	Confident	62.9	Low	1 Å²	1	49.9 Å²	49.9	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-47.2	175.2	-166.8	-95.5	0	0	0	111.2	I650 I658 S659 W667 I683 L686 A687 M690 I698 F703	I650-F663 HydrophobicContact CG2-CD2 4.48Å; I658-F663 HydrophobicContact CG2-CB 3.82Å; I658-F663 HydrophobicContact CG2-CD2 4.15Å; I658-F663 HydrophobicContact CG2-CG 4.49Å; S659-F663 PolarHBondContact O-N 3.36Å; F663-W667 WeakPolarHBondContact O-CB 3.42Å; F663-W667 PolarHBondContact O-N 3.43Å; F663-W667 VanDerWaalsContact O-N 3.09Å; F663-I683 HydrophobicContact CD1-CG2 4.24Å; F663-I683 HydrophobicContact CE1-CG2 4.39Å; F663-L686 HydrophobicContact CE1-CB 4.5Å; F663-L686 HydrophobicContact CE1-CD2 4.11Å; F663-L686 HydrophobicContact CE1-CG 4.27Å; F663-L686 HydrophobicContact CZ-CD2 3.97Å; F663-L686 HydrophobicContact CZ-CG 4.21Å; F663-A687 HydrophobicContact CD1-CB 3.7Å; F663-A687 HydrophobicContact CE1-CB 4.06Å; F663-A687 HydrophobicContact CG-CB 4.32Å; F663-M690 HydrophobicContact CE2-CE 4.35Å; F663-M690 HydrophobicContact CE2-SD 3.79Å; F663-M690 HydrophobicContact CZ-SD 3.62Å; F663-I698 HydrophobicContact CD2-CD1 4.14Å; F663-I698 HydrophobicContact CE2-CD1 4.46Å; F663-I698 HydrophobicContact CG-CD1 4.46Å; F663-F703 HydrophobicContact CE2-CE2 4.45Å
664	R	70.3	Confident	62.3	Low	86 Å²	86	49.3 Å²	49.3	33%	0.325	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-43.7	-179.7	-172.3	-178.3	74.2	174.8	3.3	112.7	F660 E661 W667 K668 I683	F660-R664 WeakPolarHBondContact O-CB 3.18Å; F660-R664 PolarHBondContact O-N 2.75Å; E661-R664 PolarHBondContact O-N 3.48Å; E661-R664 IonicContact OE1-CZ 2.87Å; E661-R664 IonicContact OE1-NE 3.43Å; E661-R664 IonicContact OE1-NH2 3.37Å; E661-R664 PolarHBondContact OE1-NH2 3.24Å; E661-R664 IonicContact OE2-CZ 3.02Å; E661-R664 IonicContact OE2-NE 3.75Å; E661-R664 PolarHBondContact OE2-NE 3.27Å; E661-R664 IonicContact OE2-NH1 3.33Å; E661-R664 IonicContact OE2-NH2 3.09Å; E661-R664 PolarHBondContact OE2-NH2 2.75Å; R664-W667 PolarHBondContact O-N 3.09Å; R664-K668 HydrophobicContact CG-CD 4.41Å; R664-K668 WeakPolarHBondContact O-CG 3.25Å; R664-K668 PolarHBondContact O-N 2.82Å; R664-I683 HydrophobicContact CB-CG2 4.39Å; R664-I683 HydrophobicContact CG-CG2 4.32Å
665	Q	66.1	Low	61.9	Low	85 Å²	85	55.2 Å²	55.2	40%	0.397	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-44.6	179.7	-74.3	178.2	9.6	0	0	111.4	E661 W667 K668 L669	E661-Q665 WeakPolarHBondContact O-CB 3.42Å; E661-Q665 VanDerWaalsContact O-CG 3.26Å; E661-Q665 WeakPolarHBondContact O-CG 3.49Å; E661-Q665 PolarHBondContact O-N 2.68Å; E661-Q665 PolarHBondContact OE1-NE2 3.2Å; Q665-W667 VanDerWaalsContact C-N 3.28Å; Q665-W667 PolarHBondContact O-N 3.37Å; Q665-K668 PolarHBondContact O-N 2.72Å; Q665-L669 WeakPolarHBondContact O-CD1 3.48Å; Q665-L669 PolarHBondContact O-N 2.76Å
666	T	64.6	Low	61.2	Low	16 Å²	16	55.3 Å²	55.3	10%	0.098	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-40.7	177.1	-54.5	0	0	0	0	111.3	I650 E662 L669 L670	I650-T666 HydrophobicContact CG1-CG2 3.95Å; E662-T666 WeakPolarHBondContact O-CB 3.11Å; E662-T666 PolarHBondContact O-N 2.86Å; E662-T666 PolarHBondContact O-OG1 2.95Å; T666-L669 PolarHBondContact O-N 2.95Å; T666-L670 PolarHBondContact O-N 3.24Å
667	W	62.3	Low	60.4	Low	13 Å²	13	63.4 Å²	63.4	5%	0.049	31%	0.311	C	S	.	.	H	α-helix	trans	-77	-31.7	-176.5	-143.9	-103.8	0	0	0	114.3	I632 M636 F663 R664 Q665 L669 L670 S671 I683	I632-W667 HydrophobicContact CB-CZ2 4.16Å; I632-W667 HydrophobicContact CG1-CZ2 4.16Å; I632-W667 HydrophobicContact CG2-CH2 4.03Å; I632-W667 HydrophobicContact CG2-CZ2 3.24Å; M636-W667 HydrophobicContact CE-CE3 4.06Å; M636-W667 HydrophobicContact CE-CH2 3.48Å; M636-W667 VanDerWaalsContact CE-CH2 3.48Å; M636-W667 HydrophobicContact CE-CZ3 3.13Å; M636-W667 HydrophobicContact CG-CH2 3.95Å; M636-W667 HydrophobicContact SD-CH2 3.87Å; M636-W667 HydrophobicContact SD-CZ3 3.88Å; F663-W667 WeakPolarHBondContact O-CB 3.42Å; F663-W667 PolarHBondContact O-N 3.43Å; F663-W667 VanDerWaalsContact O-N 3.09Å; R664-W667 PolarHBondContact O-N 3.09Å; Q665-W667 VanDerWaalsContact C-N 3.28Å; Q665-W667 PolarHBondContact O-N 3.37Å; W667-L669 VanDerWaalsContact C-N 3.33Å; W667-L670 HydrophobicContact CD2-CD2 3.8Å; W667-L670 HydrophobicContact CE3-CD2 3.54Å; W667-L670 HydrophobicContact CH2-CD2 3.13Å; W667-L670 HydrophobicContact CZ2-CD2 3.36Å; W667-L670 HydrophobicContact CZ3-CD2 3.21Å; W667-L670 PolarHBondContact O-N 2.93Å; W667-S671 VanDerWaalsContact O-CB 3.27Å; W667-S671 WeakPolarHBondContact O-CB 3.39Å; W667-S671 PolarHBondContact O-N 2.98Å; W667-I683 HydrophobicContact CB-CD1 4.13Å; W667-I683 HydrophobicContact CB-CG1 4.49Å; W667-I683 HydrophobicContact CB-CG2 3.88Å; W667-I683 HydrophobicContact CG-CD1 4.33Å; W667-I683 HydrophobicContact CG-CG1 4.37Å; W667-I683 HydrophobicContact CG-CG2 4.28Å
668	K	63.4	Low	59.8	Low	80 Å²	80	61.8 Å²	61.8	35%	0.348	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-40.5	169.9	-79.4	-178.2	170.2	-173	0	112	R664 Q665 S671 S672 D680 I683	R664-K668 HydrophobicContact CG-CD 4.41Å; R664-K668 WeakPolarHBondContact O-CG 3.25Å; R664-K668 PolarHBondContact O-N 2.82Å; Q665-K668 PolarHBondContact O-N 2.72Å; K668-S671 PolarHBondContact O-N 3.27Å; K668-S672 PolarHBondContact O-N 3.35Å; K668-D680 WeakPolarHBondContact CE-OD1 2.95Å; K668-D680 WeakPolarHBondContact CE-OD2 3.21Å; K668-D680 IonicContact NZ-OD1 3Å; K668-D680 PolarHBondContact NZ-OD1 2.79Å; K668-D680 IonicContact NZ-OD2 3.86Å; K668-D680 PolarHBondContact NZ-OD2 2.81Å; K668-I683 HydrophobicContact CG-CD1 4.41Å
669	L	55.4	Low	59.3	Low	51 Å²	51	65.2 Å²	65.2	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-68.3	-40.7	176	-80.2	156	0	0	0	111.9	L68 F72 Q665 T666 W667 S672 H673	L68-L669 HydrophobicContact CD2-CB 3.89Å; F72-L669 HydrophobicContact CD2-CD1 3.88Å; F72-L669 HydrophobicContact CE1-CD1 4.47Å; F72-L669 HydrophobicContact CE2-CD1 3.15Å; F72-L669 HydrophobicContact CE2-CG 4.48Å; F72-L669 HydrophobicContact CZ-CD1 3.5Å; Q665-L669 WeakPolarHBondContact O-CD1 3.48Å; Q665-L669 PolarHBondContact O-N 2.76Å; T666-L669 PolarHBondContact O-N 2.95Å; W667-L669 VanDerWaalsContact C-N 3.33Å; L669-S672 PolarHBondContact O-N 3.48Å; L669-H673 WeakPolarHBondContact O-CB 3.49Å; L669-H673 PolarHBondContact O-N 3.36Å
670	L	51.7	Low	58.6	Low	21 Å²	21	67 Å²	67	11%	0.11	33%	0.333	C	S	.	.	H	α-helix	trans	-60.7	-46.7	173.2	-175.5	77.4	0	0	0	111.8	F64 T666 W667 S672 H673 L674	F64-L670 HydrophobicContact CE1-CD1 4Å; F64-L670 HydrophobicContact CE2-CD1 3.5Å; F64-L670 HydrophobicContact CZ-CD1 3.17Å; F64-L670 HydrophobicContact CZ-CG 4.42Å; T666-L670 PolarHBondContact O-N 3.24Å; W667-L670 HydrophobicContact CD2-CD2 3.8Å; W667-L670 HydrophobicContact CE3-CD2 3.54Å; W667-L670 HydrophobicContact CH2-CD2 3.13Å; W667-L670 HydrophobicContact CZ2-CD2 3.36Å; W667-L670 HydrophobicContact CZ3-CD2 3.21Å; W667-L670 PolarHBondContact O-N 2.93Å; L670-S672 VanDerWaalsContact C-N 3.34Å; L670-S672 PolarHBondContact O-N 2.95Å; L670-H673 PolarHBondContact O-N 3.11Å; L670-L674 HydrophobicContact CD1-CD1 3.68Å; L670-L674 HydrophobicContact CD1-CG 4.14Å; L670-L674 HydrophobicContact CD2-CD1 4.29Å; L670-L674 HydrophobicContact CG-CD1 3.75Å; L670-L674 HydrophobicContact CG-CG 4.33Å; L670-L674 WeakPolarHBondContact O-CB 3.35Å; L670-L674 WeakPolarHBondContact O-CG 3.42Å; L670-L674 PolarHBondContact O-N 3.44Å
671	S	55.6	Low	58	Low	21 Å²	21	71.6 Å²	71.6	15%	0.147	35%	0.353	C	S	.	.	H	α-helix	trans	-58.9	-43.6	177.6	164.1	0	0	0	0	111.8	W667 K668 K675 M676	W667-S671 VanDerWaalsContact O-CB 3.27Å; W667-S671 WeakPolarHBondContact O-CB 3.39Å; W667-S671 PolarHBondContact O-N 2.98Å; K668-S671 PolarHBondContact O-N 3.27Å; S671-K675 PolarHBondContact O-N 2.7Å; S671-M676 WeakPolarHBondContact CB-O 2.88Å; S671-M676 PolarHBondContact O-N 3.08Å; S671-M676 PolarHBondContact OG-O 3.34Å
672	S	54.3	Low	57.4	Low	92 Å²	92	69.7 Å²	69.7	64%	0.643	35%	0.351	S	S	*	.	H	α-helix	trans	-64.7	-41.8	176.2	-176.7	0	0	0	0	112.9	K668 L669 L670	K668-S672 PolarHBondContact O-N 3.35Å; L669-S672 PolarHBondContact O-N 3.48Å; L670-S672 VanDerWaalsContact C-N 3.34Å; L670-S672 PolarHBondContact O-N 2.95Å
673	H	42.6	Very low	57	Low	71 Å²	71	69.1 Å²	69.1	33%	0.329	35%	0.348	S	S	.	.	H	α-helix	trans	-73.8	-41.2	-178.5	-172.9	87.7	0	0	0	113.1	F64 F67 L669 L670 K675	F64-H673 AromaticContact CD2-CD2 3.48Å; F64-H673 VanDerWaalsContact CD2-CD2 3.48Å; F64-H673 WeakPolarHBondContact CD2-CD2 3.1Å; F64-H673 AromaticContact CD2-CG 3.98Å; F64-H673 AromaticContact CD2-NE2 3.86Å; F64-H673 HydrophobicContact CE2-CB 4.31Å; F67-H673 HydrophobicContact CD1-CB 4.44Å; F67-H673 AromaticContact CD1-CE1 3.89Å; F67-H673 AromaticContact CD1-ND1 3.22Å; F67-H673 WeakPolarHBondContact CD1-ND1 3.48Å; F67-H673 HydrophobicContact CE1-CB 4.22Å; F67-H673 AromaticContact CE1-ND1 3.47Å; F67-H673 WeakPolarHBondContact CE1-ND1 3.38Å; F67-H673 AromaticContact CG-CE1 3.77Å; F67-H673 AromaticContact CG-ND1 3.53Å; F67-H673 AromaticContact CZ-ND1 3.97Å; L669-H673 WeakPolarHBondContact O-CB 3.49Å; L669-H673 PolarHBondContact O-N 3.36Å; L670-H673 PolarHBondContact O-N 3.11Å; H673-K675 PolarHBondContact O-N 2.86Å
674	L	42.1	Very low	56.8	Low	76 Å²	76	71.5 Å²	71.5	40%	0.398	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-1.1	179.3	-64.9	-179.6	0	0	0	113.3	L670 M676	L670-L674 HydrophobicContact CD1-CD1 3.68Å; L670-L674 HydrophobicContact CD1-CG 4.14Å; L670-L674 HydrophobicContact CD2-CD1 4.29Å; L670-L674 HydrophobicContact CG-CD1 3.75Å; L670-L674 HydrophobicContact CG-CG 4.33Å; L670-L674 WeakPolarHBondContact O-CB 3.35Å; L670-L674 WeakPolarHBondContact O-CG 3.42Å; L670-L674 PolarHBondContact O-N 3.44Å; L674-M676 HydrophobicContact CB-CB 4.42Å; L674-M676 HydrophobicContact CB-CG 3.84Å; L674-M676 HydrophobicContact CB-SD 4.03Å; L674-M676 HydrophobicContact CD1-SD 3.96Å; L674-M676 PolarHBondContact O-N 3.14Å
675	K	42.7	Very low	56.4	Low	199 Å²	199	71.3 Å²	71.3	87%	0.865	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	35.4	-171.8	-57	-178.5	-179.9	179.9	0	112.1	S671 H673	S671-K675 PolarHBondContact O-N 2.7Å; H673-K675 PolarHBondContact O-N 2.86Å
676	M	47.2	Very low	56.2	Low	65 Å²	65	68.2 Å²	68.2	32%	0.32	36%	0.355	S	S	.	.			trans	-99.5	124.7	177.1	-69.2	-178.2	69.6	0	0	108.5	S671 L674 I678	S671-M676 WeakPolarHBondContact CB-O 2.88Å; S671-M676 PolarHBondContact O-N 3.08Å; S671-M676 PolarHBondContact OG-O 3.34Å; L674-M676 HydrophobicContact CB-CB 4.42Å; L674-M676 HydrophobicContact CB-CG 3.84Å; L674-M676 HydrophobicContact CB-SD 4.03Å; L674-M676 HydrophobicContact CD1-SD 3.96Å; L674-M676 PolarHBondContact O-N 3.14Å; M676-I678 HydrophobicContact CB-CD1 4.45Å; M676-I678 HydrophobicContact CB-CG1 4.24Å; M676-I678 PolarHBondContact O-N 3.27Å
677	E	44.1	Very low	56.3	Low	204 Å²	204	67.6 Å²	67.6	95%	0.953	35%	0.351	S	S	*	.			trans	-79.9	103.9	171.7	-68.8	-169.2	173	0	0	109.5
678	I	57.1	Low	56.6	Low	27 Å²	27	72.3 Å²	72.3	14%	0.138	37%	0.374	C	S	.	.			trans	-112.8	123.9	174.7	-53.5	177.8	0	0	0	107.5	I632 M676 A682 I683	I632-I678 HydrophobicContact CD1-CD1 4.01Å; I632-I678 HydrophobicContact CD1-CG2 3.96Å; I632-I678 HydrophobicContact CG1-CD1 4.16Å; M676-I678 HydrophobicContact CB-CD1 4.45Å; M676-I678 HydrophobicContact CB-CG1 4.24Å; M676-I678 PolarHBondContact O-N 3.27Å; I678-A682 HydrophobicContact CG2-CB 4.43Å; I678-I683 HydrophobicContact CB-CD1 4.49Å; I678-I683 HydrophobicContact CG2-CD1 4.07Å; I678-I683 HydrophobicContact CG2-CG1 3.67Å
679	S	63.1	Low	56.7	Low	73 Å²	73	71.8 Å²	71.8	51%	0.51	38%	0.38	S	S	.	.			trans	-70.1	140.2	179.2	77	0	0	0	0	111.5	K681 A682 I683	S679-K681 PolarHBondContact O-N 3.49Å; S679-K681 VanDerWaalsContact O-N 3.09Å; S679-A682 WeakPolarHBondContact O-CB 3.17Å; S679-A682 PolarHBondContact O-N 2.81Å; S679-A682 WeakPolarHBondContact OG-CB 3.4Å; S679-A682 PolarHBondContact OG-N 2.89Å; S679-I683 PolarHBondContact O-N 3.25Å
680	D	61.8	Low	57.2	Low	77 Å²	77	69.4 Å²	69.4	41%	0.412	37%	0.367	S	S	.	.	H	α-helix	trans	-53.9	-31.1	175.7	-80.7	8	0	0	0	113.1	K668 I683 T684	K668-D680 WeakPolarHBondContact CE-OD1 2.95Å; K668-D680 WeakPolarHBondContact CE-OD2 3.21Å; K668-D680 IonicContact NZ-OD1 3Å; K668-D680 PolarHBondContact NZ-OD1 2.79Å; K668-D680 IonicContact NZ-OD2 3.86Å; K668-D680 PolarHBondContact NZ-OD2 2.81Å; D680-I683 PolarHBondContact O-N 2.94Å; D680-T684 PolarHBondContact O-N 3.47Å; D680-T684 VanDerWaalsContact O-N 3.12Å; D680-T684 PolarHBondContact O-OG1 3.16Å
681	K	62	Low	58.2	Low	151 Å²	151	69 Å²	69	66%	0.657	37%	0.365	S	S	*	.	H	α-helix	trans	-65.2	-46.9	175.8	-169	179.2	177.4	-175.4	0	111.3	S679 I683 T684 D685	S679-K681 PolarHBondContact O-N 3.49Å; S679-K681 VanDerWaalsContact O-N 3.09Å; K681-I683 VanDerWaalsContact C-N 3.28Å; K681-I683 PolarHBondContact O-N 3.22Å; K681-T684 PolarHBondContact O-N 3.46Å; K681-D685 WeakPolarHBondContact O-CB 3.34Å; K681-D685 PolarHBondContact O-N 3.1Å
682	A	57.3	Low	58.8	Low	40 Å²	40	72.6 Å²	72.6	33%	0.331	38%	0.378	S	S	.	.	H	α-helix	trans	-63.5	-32.6	178.4	0	0	0	0	0	113.1	I678 S679 L686	I678-A682 HydrophobicContact CG2-CB 4.43Å; S679-A682 WeakPolarHBondContact O-CB 3.17Å; S679-A682 PolarHBondContact O-N 2.81Å; S679-A682 WeakPolarHBondContact OG-CB 3.4Å; S679-A682 PolarHBondContact OG-N 2.89Å; A682-L686 VanDerWaalsContact O-CB 3.29Å; A682-L686 WeakPolarHBondContact O-CB 3.49Å; A682-L686 PolarHBondContact O-N 3.39Å
683	I	61.8	Low	59.8	Low	2 Å²	2	72.1 Å²	72.1	1%	0.01	37%	0.369	C	S	.	.	H	α-helix	trans	-70.3	-40.5	176.7	-56.5	175.5	0	0	0	110.7	F663 R664 W667 K668 I678 S679 D680 K681 L686 A687	F663-I683 HydrophobicContact CD1-CG2 4.24Å; F663-I683 HydrophobicContact CE1-CG2 4.39Å; R664-I683 HydrophobicContact CB-CG2 4.39Å; R664-I683 HydrophobicContact CG-CG2 4.32Å; W667-I683 HydrophobicContact CB-CD1 4.13Å; W667-I683 HydrophobicContact CB-CG1 4.49Å; W667-I683 HydrophobicContact CB-CG2 3.88Å; W667-I683 HydrophobicContact CG-CD1 4.33Å; W667-I683 HydrophobicContact CG-CG1 4.37Å; W667-I683 HydrophobicContact CG-CG2 4.28Å; K668-I683 HydrophobicContact CG-CD1 4.41Å; I678-I683 HydrophobicContact CB-CD1 4.49Å; I678-I683 HydrophobicContact CG2-CD1 4.07Å; I678-I683 HydrophobicContact CG2-CG1 3.67Å; S679-I683 PolarHBondContact O-N 3.25Å; D680-I683 PolarHBondContact O-N 2.94Å; K681-I683 VanDerWaalsContact C-N 3.28Å; K681-I683 PolarHBondContact O-N 3.22Å; I683-L686 PolarHBondContact O-N 3.04Å; I683-A687 PolarHBondContact O-N 3Å
684	T	66.6	Low	61.5	Low	52 Å²	52	77.1 Å²	77.1	32%	0.319	39%	0.39	S	S	.	.	H	α-helix	trans	-70.4	-43.1	179	-51.5	0	0	0	0	111.1	D680 K681 L686 A687 Q688	D680-T684 PolarHBondContact O-N 3.47Å; D680-T684 VanDerWaalsContact O-N 3.12Å; D680-T684 PolarHBondContact O-OG1 3.16Å; K681-T684 PolarHBondContact O-N 3.46Å; T684-L686 VanDerWaalsContact C-N 3.26Å; T684-L686 PolarHBondContact O-N 3.47Å; T684-A687 PolarHBondContact O-N 3.36Å; T684-Q688 WeakPolarHBondContact O-CB 3.2Å; T684-Q688 WeakPolarHBondContact O-CG 3.09Å; T684-Q688 PolarHBondContact O-N 3.49Å
685	D	63.6	Low	63.1	Low	82 Å²	82	77.6 Å²	77.6	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-61.9	-37	175.8	-65.2	-15.9	0	0	0	110.7	K681 S689	K681-D685 WeakPolarHBondContact O-CB 3.34Å; K681-D685 PolarHBondContact O-N 3.1Å; D685-S689 WeakPolarHBondContact O-CB 3.32Å; D685-S689 PolarHBondContact O-N 2.87Å
686	L	61.7	Low	64.5	Low	20 Å²	20	70 Å²	70	11%	0.105	37%	0.37	C	S	.	.	H	α-helix	trans	-67.3	-49.5	175.2	-175.6	65.3	0	0	0	111.9	I632 M633 F663 A682 I683 T684 Q688 S689 M690	I632-L686 HydrophobicContact CG2-CD2 3.61Å; M633-L686 HydrophobicContact CG-CD1 4.44Å; M633-L686 HydrophobicContact SD-CD1 3.93Å; F663-L686 HydrophobicContact CE1-CB 4.5Å; F663-L686 HydrophobicContact CE1-CD2 4.11Å; F663-L686 HydrophobicContact CE1-CG 4.27Å; F663-L686 HydrophobicContact CZ-CD2 3.97Å; F663-L686 HydrophobicContact CZ-CG 4.21Å; A682-L686 VanDerWaalsContact O-CB 3.29Å; A682-L686 WeakPolarHBondContact O-CB 3.49Å; A682-L686 PolarHBondContact O-N 3.39Å; I683-L686 PolarHBondContact O-N 3.04Å; T684-L686 VanDerWaalsContact C-N 3.26Å; T684-L686 PolarHBondContact O-N 3.47Å; L686-Q688 VanDerWaalsContact C-N 3.27Å; L686-Q688 PolarHBondContact O-N 3.19Å; L686-S689 PolarHBondContact O-N 2.91Å; L686-S689 PolarHBondContact O-OG 3.48Å; L686-M690 HydrophobicContact CG-SD 4.23Å; L686-M690 VanDerWaalsContact O-CG 3.32Å; L686-M690 WeakPolarHBondContact O-CG 3.39Å; L686-M690 PolarHBondContact O-N 3.3Å
687	A	66.3	Low	65.9	Low	3 Å²	3	67.8 Å²	67.8	3%	0.025	36%	0.361	C	S	.	.	H	α-helix	trans	-57	-42.6	177.7	0	0	0	0	0	111.8	F660 F663 I683 T684 S689 M690 D691 I698	F660-A687 HydrophobicContact CD1-CB 3.8Å; F660-A687 HydrophobicContact CD2-CB 4.44Å; F660-A687 HydrophobicContact CE1-CB 3.99Å; F660-A687 WeakPolarHBondContact CE1-O 3.38Å; F660-A687 HydrophobicContact CG-CB 4.04Å; F660-A687 HydrophobicContact CZ-CB 4.41Å; F663-A687 HydrophobicContact CD1-CB 3.7Å; F663-A687 HydrophobicContact CE1-CB 4.06Å; F663-A687 HydrophobicContact CG-CB 4.32Å; I683-A687 PolarHBondContact O-N 3Å; T684-A687 PolarHBondContact O-N 3.36Å; A687-S689 VanDerWaalsContact C-N 3.3Å; A687-S689 PolarHBondContact O-N 3.05Å; A687-M690 PolarHBondContact O-N 2.91Å; A687-D691 PolarHBondContact O-N 3.4Å; A687-I698 HydrophobicContact CB-CD1 4.43Å
688	Q	69.2	Low	67.5	Low	112 Å²	112	58 Å²	58	52%	0.523	32%	0.316	S	S	.	.	H	α-helix	trans	-66.5	-28.5	175.7	-73.3	177.5	4.3	0	0	113.7	F660 T684 L686 M690	F660-Q688 HydrophobicContact CE2-CG 3.65Å; F660-Q688 HydrophobicContact CZ-CG 4.13Å; T684-Q688 WeakPolarHBondContact O-CB 3.2Å; T684-Q688 WeakPolarHBondContact O-CG 3.09Å; T684-Q688 PolarHBondContact O-N 3.49Å; L686-Q688 VanDerWaalsContact C-N 3.27Å; L686-Q688 PolarHBondContact O-N 3.19Å; Q688-M690 VanDerWaalsContact C-N 3.33Å
689	S	63.9	Low	68.1	Low	68 Å²	68	58.5 Å²	58.5	48%	0.476	32%	0.318	S	S	.	.	H	α-helix	trans	-77.6	-19.9	176.7	73.9	0	0	0	0	113.5	D685 L686 A687	D685-S689 WeakPolarHBondContact O-CB 3.32Å; D685-S689 PolarHBondContact O-N 2.87Å; L686-S689 PolarHBondContact O-N 2.91Å; L686-S689 PolarHBondContact O-OG 3.48Å; A687-S689 VanDerWaalsContact C-N 3.3Å; A687-S689 PolarHBondContact O-N 3.05Å
690	M	65.8	Low	68	Low	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-91.4	-25.1	-179.8	-62.3	179.9	68.4	0	0	112.7	F663 L686 A687 Q688 F692 I698 F703 A706 F707	F663-M690 HydrophobicContact CE2-CE 4.35Å; F663-M690 HydrophobicContact CE2-SD 3.79Å; F663-M690 HydrophobicContact CZ-SD 3.62Å; L686-M690 HydrophobicContact CG-SD 4.23Å; L686-M690 VanDerWaalsContact O-CG 3.32Å; L686-M690 WeakPolarHBondContact O-CG 3.39Å; L686-M690 PolarHBondContact O-N 3.3Å; A687-M690 PolarHBondContact O-N 2.91Å; Q688-M690 VanDerWaalsContact C-N 3.33Å; M690-F692 VanDerWaalsContact O-CD2 3.25Å; M690-F692 WeakPolarHBondContact O-CD2 3.37Å; M690-F692 WeakPolarHBondContact O-CE2 3.46Å; M690-F692 PolarHBondContact O-N 3.16Å; M690-I698 HydrophobicContact CB-CD1 3.93Å; M690-I698 HydrophobicContact CB-CG1 4.33Å; M690-I698 HydrophobicContact CB-CG2 4.19Å; M690-I698 HydrophobicContact SD-CD1 4.49Å; M690-F703 HydrophobicContact CE-CD2 3.58Å; M690-F703 HydrophobicContact CE-CE2 3.99Å; M690-F703 HydrophobicContact CE-CG 4.27Å; M690-A706 HydrophobicContact CB-CB 3.75Å; M690-A706 HydrophobicContact CE-CB 3.77Å; M690-A706 HydrophobicContact CG-CB 3.59Å; M690-A706 HydrophobicContact SD-CB 4.5Å; M690-F707 HydrophobicContact CE-CD2 4.5Å; M690-F707 HydrophobicContact CE-CE1 4.31Å; M690-F707 HydrophobicContact CE-CE2 3.56Å; M690-F707 HydrophobicContact CE-CZ 3.46Å; M690-F707 VanDerWaalsContact CE-CZ 3.46Å
691	D	72.8	Confident	67.8	Low	13 Å²	13	59.5 Å²	59.5	7%	0.07	32%	0.318	C	S	.	.			trans	-79.1	88.1	174.7	175.3	6.9	0	0	0	110.2	F660 A687 N693 K694 D695 G696 S697 I698	F660-D691 HydrophobicContact CE1-CB 3.88Å; F660-D691 HydrophobicContact CZ-CB 3.76Å; A687-D691 PolarHBondContact O-N 3.4Å; D691-N693 PolarHBondContact OD1-OD1 3.38Å; D691-K694 WeakPolarHBondContact OD1-CA 3.37Å; D691-K694 PolarHBondContact OD1-N 3.48Å; D691-K694 WeakPolarHBondContact OD2-CA 3.46Å; D691-D695 PolarHBondContact OD1-N 3.04Å; D691-D695 VanDerWaalsContact OD1-N 3.15Å; D691-D695 PolarHBondContact OD2-N 3.38Å; D691-G696 WeakPolarHBondContact OD2-CA 3.41Å; D691-G696 PolarHBondContact OD2-N 3.01Å; D691-S697 VanDerWaalsContact CG-O 3.31Å; D691-I698 HydrophobicContact CB-CG1 4.35Å
692	F	69.8	Low	68.1	Low	96 Å²	96	53 Å²	53	42%	0.421	29%	0.289	S	S	.	.	S	Bend	trans	-73.8	-33.5	-175.6	-68.3	-67.2	0	0	0	112.8	M690 K694 E702 A706 L709	M690-F692 VanDerWaalsContact O-CD2 3.25Å; M690-F692 WeakPolarHBondContact O-CD2 3.37Å; M690-F692 WeakPolarHBondContact O-CE2 3.46Å; M690-F692 PolarHBondContact O-N 3.16Å; F692-K694 VanDerWaalsContact C-N 3.34Å; F692-E702 HydrophobicContact CD2-CB 4.2Å; F692-E702 HydrophobicContact CD2-CG 4.21Å; F692-E702 PolarHBondContact N-OE1 3.4Å; F692-A706 HydrophobicContact CE2-CB 3.78Å; F692-A706 HydrophobicContact CZ-CB 4.03Å; F692-L709 HydrophobicContact CD1-CD1 3.83Å; F692-L709 HydrophobicContact CD2-CD1 4Å; F692-L709 HydrophobicContact CE1-CD1 3.29Å; F692-L709 HydrophobicContact CE2-CD1 3.46Å; F692-L709 VanDerWaalsContact CE2-CD1 3.46Å; F692-L709 HydrophobicContact CG-CD1 4.18Å; F692-L709 HydrophobicContact CZ-CB 4.25Å; F692-L709 HydrophobicContact CZ-CD1 3.09Å; F692-L709 HydrophobicContact CZ-CG 4.24Å
693	N	74.5	Confident	68.4	Low	82 Å²	82	51 Å²	51	44%	0.439	27%	0.274	S	S	.	.	S	Bend	trans	-85	-9.9	-179.2	74.6	23.8	0	0	0	113	D691 D695 E702	D691-N693 PolarHBondContact OD1-OD1 3.38Å; N693-D695 VanDerWaalsContact C-N 3.31Å; N693-D695 PolarHBondContact ND2-OD2 3.48Å; N693-D695 WeakPolarHBondContact OD1-CB 3.3Å; N693-D695 PolarHBondContact OD1-N 3.42Å; N693-D695 PolarHBondContact OD1-OD1 3.03Å; N693-D695 PolarHBondContact OD1-OD2 3.34Å; N693-D695 VanDerWaalsContact OD1-OD2 3.09Å; N693-E702 WeakPolarHBondContact CB-OE1 3.39Å; N693-E702 PolarHBondContact N-OE1 2.97Å; N693-E702 PolarHBondContact ND2-OE1 3.43Å; N693-E702 PolarHBondContact OD1-OE1 3.12Å
694	K	78.1	Confident	68	Low	177 Å²	177	54 Å²	54	77%	0.77	29%	0.288	S	S	*	.			trans	60.7	33.9	-179.3	-59.1	-174.2	178.6	-177.8	0	113.7	D691 F692 G696	D691-K694 WeakPolarHBondContact OD1-CA 3.37Å; D691-K694 PolarHBondContact OD1-N 3.48Å; D691-K694 WeakPolarHBondContact OD2-CA 3.46Å; F692-K694 VanDerWaalsContact C-N 3.34Å; K694-G696 VanDerWaalsContact C-N 3.28Å
695	D	75.8	Confident	67.3	Low	86 Å²	86	53.9 Å²	53.9	46%	0.46	28%	0.284	S	S	.	.	S	Bend	trans	-84.6	-3.7	178.5	73.4	21.1	0	0	0	113.2	D691 N693 S697	D691-D695 PolarHBondContact OD1-N 3.04Å; D691-D695 VanDerWaalsContact OD1-N 3.15Å; D691-D695 PolarHBondContact OD2-N 3.38Å; N693-D695 VanDerWaalsContact C-N 3.31Å; N693-D695 PolarHBondContact ND2-OD2 3.48Å; N693-D695 WeakPolarHBondContact OD1-CB 3.3Å; N693-D695 PolarHBondContact OD1-N 3.42Å; N693-D695 PolarHBondContact OD1-OD1 3.03Å; N693-D695 PolarHBondContact OD1-OD2 3.34Å; N693-D695 VanDerWaalsContact OD1-OD2 3.09Å; D695-S697 VanDerWaalsContact C-N 3.33Å; D695-S697 WeakPolarHBondContact OD1-CA 3.07Å; D695-S697 WeakPolarHBondContact OD1-CB 3.42Å; D695-S697 PolarHBondContact OD1-N 3.01Å; D695-S697 VanDerWaalsContact OD1-O 3.08Å; D695-S697 PolarHBondContact OD1-OG 2.87Å
696	G	72.8	Confident	66.7	Low	38 Å²	38	50.3 Å²	50.3	39%	0.392	27%	0.266	S	S	.	.	S	Bend	trans	83.6	9.4	179.7	0	0	0	0	0	113.7	D691 K694	D691-G696 WeakPolarHBondContact OD2-CA 3.41Å; D691-G696 PolarHBondContact OD2-N 3.01Å; K694-G696 VanDerWaalsContact C-N 3.28Å
697	S	75.3	Confident	66	Low	19 Å²	19	49.6 Å²	49.6	13%	0.133	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	166.8	174.1	66.2	0	0	0	0	110.4	I658 D691 D695	I658-S697 CarbonylContact O-C 3.49Å; I658-S697 WeakPolarHBondContact O-CA 3.44Å; D691-S697 VanDerWaalsContact CG-O 3.31Å; D695-S697 VanDerWaalsContact C-N 3.33Å; D695-S697 WeakPolarHBondContact OD1-CA 3.07Å; D695-S697 WeakPolarHBondContact OD1-CB 3.42Å; D695-S697 PolarHBondContact OD1-N 3.01Å; D695-S697 VanDerWaalsContact OD1-O 3.08Å; D695-S697 PolarHBondContact OD1-OG 2.87Å
698	I	77.7	Confident	64.6	Low	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	106.9	-177.3	-51.8	166.8	0	0	0	107.9	L657 I658 F660 F663 A687 M690 D691 E702 F703	L657-I698 CarbonylContact C-O 3.57Å; I658-I698 HydrophobicContact CB-CB 4.18Å; I658-I698 PolarHBondContact N-O 3.23Å; I658-I698 PolarHBondContact O-N 3.48Å; F660-I698 HydrophobicContact CD1-CD1 4.39Å; F660-I698 HydrophobicContact CD1-CG1 4.37Å; F660-I698 HydrophobicContact CE1-CD1 4.21Å; F660-I698 HydrophobicContact CE1-CG1 3.94Å; F663-I698 HydrophobicContact CD2-CD1 4.14Å; F663-I698 HydrophobicContact CE2-CD1 4.46Å; F663-I698 HydrophobicContact CG-CD1 4.46Å; A687-I698 HydrophobicContact CB-CD1 4.43Å; M690-I698 HydrophobicContact CB-CD1 3.93Å; M690-I698 HydrophobicContact CB-CG1 4.33Å; M690-I698 HydrophobicContact CB-CG2 4.19Å; M690-I698 HydrophobicContact SD-CD1 4.49Å; D691-I698 HydrophobicContact CB-CG1 4.35Å; I698-E702 HydrophobicContact CG2-CB 4.05Å; I698-F703 HydrophobicContact CG2-CB 3.85Å; I698-F703 HydrophobicContact CG2-CD2 4.31Å
699	D	70.9	Confident	63.1	Low	36 Å²	36	53.6 Å²	53.6	19%	0.193	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	168	179.1	83.2	47.1	0	0	0	113	L657 N701 E702 F703	L657-D699 HydrophobicContact CD2-CB 3.24Å; D699-N701 VanDerWaalsContact C-N 3.26Å; D699-N701 PolarHBondContact O-N 3.19Å; D699-N701 WeakPolarHBondContact OD1-CA 3.12Å; D699-N701 WeakPolarHBondContact OD1-CB 2.99Å; D699-N701 PolarHBondContact OD1-N 3.3Å; D699-E702 PolarHBondContact N-OE2 2.93Å; D699-E702 PolarHBondContact O-N 3.16Å; D699-E702 PolarHBondContact OD1-N 3.48Å; D699-F703 WeakPolarHBondContact O-CB 3.36Å; D699-F703 PolarHBondContact O-N 3.32Å
700	I	61.1	Low	61.7	Low	58 Å²	58	53.3 Å²	53.3	30%	0.297	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-35.1	-178.8	-166	167.9	0	0	0	112.6	E644 F647 M704	E644-I700 HydrophobicContact CG-CD1 4.37Å; F647-I700 HydrophobicContact CD1-CB 3.99Å; F647-I700 HydrophobicContact CD1-CD1 3.85Å; F647-I700 HydrophobicContact CD1-CG1 3.73Å; F647-I700 HydrophobicContact CD2-CG1 4.42Å; F647-I700 HydrophobicContact CE1-CB 3.54Å; F647-I700 HydrophobicContact CE1-CD1 4.11Å; F647-I700 HydrophobicContact CE1-CG1 3.85Å; F647-I700 VanDerWaalsContact CE2-CA 3.45Å; F647-I700 HydrophobicContact CE2-CB 4.1Å; F647-I700 HydrophobicContact CE2-CG1 4.49Å; F647-I700 HydrophobicContact CG-CB 4.47Å; F647-I700 HydrophobicContact CG-CD1 4.5Å; F647-I700 HydrophobicContact CG-CG1 4.05Å; F647-I700 HydrophobicContact CZ-CB 3.6Å; F647-I700 HydrophobicContact CZ-CG1 4.23Å; I700-M704 HydrophobicContact CG1-CG 4.27Å; I700-M704 WeakPolarHBondContact O-CB 3.34Å; I700-M704 WeakPolarHBondContact O-CG 3.36Å; I700-M704 PolarHBondContact O-N 3.11Å
701	N	56.1	Low	60.1	Low	114 Å²	114	57.3 Å²	57.3	61%	0.61	29%	0.292	S	S	*	.	H	α-helix	trans	-71.6	-43.8	174.7	-59	-49.7	0	0	0	109.7	D699 M704 E705	D699-N701 VanDerWaalsContact C-N 3.26Å; D699-N701 PolarHBondContact O-N 3.19Å; D699-N701 WeakPolarHBondContact OD1-CA 3.12Å; D699-N701 WeakPolarHBondContact OD1-CB 2.99Å; D699-N701 PolarHBondContact OD1-N 3.3Å; N701-M704 CarbonylContact O-C 3.33Å; N701-M704 PolarHBondContact O-N 3.28Å; N701-E705 VanDerWaalsContact O-CA 3.29Å; N701-E705 WeakPolarHBondContact O-CA 3.37Å; N701-E705 WeakPolarHBondContact O-CB 3.35Å; N701-E705 PolarHBondContact O-N 3.31Å
702	E	68.6	Low	57.9	Low	13 Å²	13	60.7 Å²	60.7	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-37	176.3	-70	178.9	141.4	0	0	113.2	F692 N693 I698 D699 E705 A706	F692-E702 HydrophobicContact CD2-CB 4.2Å; F692-E702 HydrophobicContact CD2-CG 4.21Å; F692-E702 PolarHBondContact N-OE1 3.4Å; N693-E702 WeakPolarHBondContact CB-OE1 3.39Å; N693-E702 PolarHBondContact N-OE1 2.97Å; N693-E702 PolarHBondContact ND2-OE1 3.43Å; N693-E702 PolarHBondContact OD1-OE1 3.12Å; I698-E702 HydrophobicContact CG2-CB 4.05Å; D699-E702 PolarHBondContact N-OE2 2.93Å; D699-E702 PolarHBondContact O-N 3.16Å; D699-E702 PolarHBondContact OD1-N 3.48Å; E702-E705 CarbonylContact O-C 3.47Å; E702-E705 PolarHBondContact O-N 3.37Å; E702-A706 WeakPolarHBondContact O-CA 3.37Å; E702-A706 WeakPolarHBondContact O-CB 3.42Å; E702-A706 PolarHBondContact O-N 2.98Å
703	F	63.1	Low	55.9	Low	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-55.7	171.4	-173.3	-100.5	0	0	0	108.7	L643 I646 F647 I650 I658 F663 M690 I698 D699 E705 A706 F707	L643-F703 HydrophobicContact CB-CE1 4.45Å; L643-F703 HydrophobicContact CD2-CE1 4.41Å; L643-F703 WeakPolarHBondContact O-CE1 3.41Å; I646-F703 HydrophobicContact CG2-CZ 4.14Å; F647-F703 HydrophobicContact CB-CD1 3.72Å; F647-F703 HydrophobicContact CB-CE1 3.64Å; F647-F703 HydrophobicContact CB-CG 4.43Å; F647-F703 HydrophobicContact CB-CZ 4.27Å; F647-F703 HydrophobicContact CD2-CB 3.44Å; F647-F703 VanDerWaalsContact CD2-CB 3.44Å; F647-F703 AromaticContact CD2-CD1 3.46Å; F647-F703 HydrophobicContact CD2-CD1 3.46Å; F647-F703 VanDerWaalsContact CD2-CD1 3.46Å; F647-F703 AromaticContact CD2-CD2 3.82Å; F647-F703 HydrophobicContact CD2-CD2 3.82Å; F647-F703 HydrophobicContact CD2-CE1 4.08Å; F647-F703 HydrophobicContact CD2-CE2 4.39Å; F647-F703 AromaticContact CD2-CG 3.32Å; F647-F703 HydrophobicContact CD2-CG 3.32Å; F647-F703 HydrophobicContact CD2-CZ 4.5Å; F647-F703 HydrophobicContact CE2-CB 3.62Å; F647-F703 HydrophobicContact CE2-CD1 4.48Å; F647-F703 HydrophobicContact CE2-CD2 4.43Å; F647-F703 AromaticContact CE2-CG 3.99Å; F647-F703 HydrophobicContact CE2-CG 3.99Å; F647-F703 HydrophobicContact CG-CD1 4Å; F647-F703 HydrophobicContact CG-CE1 4.36Å; F647-F703 HydrophobicContact CG-CG 4.3Å; I650-F703 HydrophobicContact CD1-CE2 4.01Å; I650-F703 HydrophobicContact CD1-CZ 4.11Å; I658-F703 HydrophobicContact CD1-CD2 3.66Å; I658-F703 HydrophobicContact CD1-CE2 3.78Å; I658-F703 HydrophobicContact CD1-CG 4.35Å; F663-F703 HydrophobicContact CE2-CE2 4.45Å; M690-F703 HydrophobicContact CE-CD2 3.58Å; M690-F703 HydrophobicContact CE-CE2 3.99Å; M690-F703 HydrophobicContact CE-CG 4.27Å; I698-F703 HydrophobicContact CG2-CB 3.85Å; I698-F703 HydrophobicContact CG2-CD2 4.31Å; D699-F703 WeakPolarHBondContact O-CB 3.36Å; D699-F703 PolarHBondContact O-N 3.32Å; F703-E705 VanDerWaalsContact C-N 3.29Å; F703-E705 PolarHBondContact O-N 3.4Å; F703-A706 PolarHBondContact O-N 2.79Å; F703-F707 AromaticContact CD1-CD2 3.99Å; F703-F707 HydrophobicContact CD1-CD2 3.99Å; F703-F707 AromaticContact CD1-CE2 3.54Å; F703-F707 HydrophobicContact CD1-CE2 3.54Å; F703-F707 AromaticContact CD2-CE2 3.8Å; F703-F707 HydrophobicContact CD2-CE2 3.8Å; F703-F707 HydrophobicContact CD2-CZ 4.47Å; F703-F707 HydrophobicContact CE1-CD2 4.11Å; F703-F707 AromaticContact CE1-CE2 3.44Å; F703-F707 HydrophobicContact CE1-CE2 3.44Å; F703-F707 VanDerWaalsContact CE1-CE2 3.44Å; F703-F707 HydrophobicContact CE1-CZ 4.34Å; F703-F707 AromaticContact CE2-CE2 3.7Å; F703-F707 HydrophobicContact CE2-CE2 3.7Å; F703-F707 HydrophobicContact CE2-CZ 4.09Å; F703-F707 HydrophobicContact CG-CD2 4.35Å; F703-F707 AromaticContact CG-CE2 3.72Å; F703-F707 HydrophobicContact CG-CE2 3.72Å; F703-F707 AromaticContact CZ-CE2 3.52Å; F703-F707 HydrophobicContact CZ-CE2 3.52Å; F703-F707 HydrophobicContact CZ-CZ 4.01Å; F703-F707 WeakPolarHBondContact O-CD2 3.48Å; F703-F707 VanDerWaalsContact O-CE2 3.22Å; F703-F707 WeakPolarHBondContact O-CE2 3.47Å; F703-F707 PolarHBondContact O-N 3.21Å
704	M	53.3	Low	54	Low	63 Å²	63	59.5 Å²	59.5	31%	0.31	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-35.4	178.7	-68.6	-65.7	-74.1	0	0	112.4	L643 I700 N701 F707 R708	L643-M704 HydrophobicContact CB-SD 3.99Å; I700-M704 HydrophobicContact CG1-CG 4.27Å; I700-M704 WeakPolarHBondContact O-CB 3.34Å; I700-M704 WeakPolarHBondContact O-CG 3.36Å; I700-M704 PolarHBondContact O-N 3.11Å; N701-M704 CarbonylContact O-C 3.33Å; N701-M704 PolarHBondContact O-N 3.28Å; M704-F707 CarbonylContact O-C 3.58Å; M704-F707 WeakPolarHBondContact O-CA 3.5Å; M704-F707 WeakPolarHBondContact O-CB 3.21Å; M704-F707 PolarHBondContact O-N 2.81Å; M704-R708 WeakPolarHBondContact O-CB 3.47Å; M704-R708 PolarHBondContact O-N 3.45Å
705	E	51.9	Low	51.7	Low	51 Å²	51	59.4 Å²	59.4	24%	0.238	32%	0.319	C	S	.	.	H	α-helix	trans	-82.3	-22.5	-178.4	-151.5	70.5	-174.8	0	0	110.9	N701 E702 F703 F707 R708 L709 L712	N701-E705 VanDerWaalsContact O-CA 3.29Å; N701-E705 WeakPolarHBondContact O-CA 3.37Å; N701-E705 WeakPolarHBondContact O-CB 3.35Å; N701-E705 PolarHBondContact O-N 3.31Å; E702-E705 CarbonylContact O-C 3.47Å; E702-E705 PolarHBondContact O-N 3.37Å; F703-E705 VanDerWaalsContact C-N 3.29Å; F703-E705 PolarHBondContact O-N 3.4Å; E705-F707 PolarHBondContact O-N 2.8Å; E705-R708 HydrophobicContact CG-CB 4.36Å; E705-R708 CarbonylContact O-C 3.49Å; E705-R708 PolarHBondContact O-N 3.25Å; E705-R708 VanDerWaalsContact O-N 3.14Å; E705-R708 WeakPolarHBondContact OE2-CB 3.48Å; E705-R708 WeakPolarHBondContact OE2-CD 3.42Å; E705-R708 IonicContact OE2-NE 3.37Å; E705-R708 IonicContact OE2-NH1 3.7Å; E705-R708 PolarHBondContact OE2-NH1 3.5Å; E705-L709 HydrophobicContact CG-CD1 3.93Å; E705-L709 HydrophobicContact CG-CG 4.13Å; E705-L709 WeakPolarHBondContact O-CA 3.36Å; E705-L709 WeakPolarHBondContact O-CB 3.49Å; E705-L709 WeakPolarHBondContact O-CD1 3.39Å; E705-L709 VanDerWaalsContact O-CG 3.31Å; E705-L709 WeakPolarHBondContact O-CG 3.42Å; E705-L709 PolarHBondContact O-N 3.05Å; E705-L712 WeakPolarHBondContact OE1-CD1 3.39Å
706	A	52.7	Low	49.4	Very low	7 Å²	7	63.5 Å²	63.5	6%	0.058	36%	0.364	C	S	.	.	H	α-helix	trans	-69.6	-29.7	165.2	0	0	0	0	0	110.7	M690 F692 E702 F703	M690-A706 HydrophobicContact CB-CB 3.75Å; M690-A706 HydrophobicContact CE-CB 3.77Å; M690-A706 HydrophobicContact CG-CB 3.59Å; M690-A706 HydrophobicContact SD-CB 4.5Å; F692-A706 HydrophobicContact CE2-CB 3.78Å; F692-A706 HydrophobicContact CZ-CB 4.03Å; E702-A706 WeakPolarHBondContact O-CA 3.37Å; E702-A706 WeakPolarHBondContact O-CB 3.42Å; E702-A706 PolarHBondContact O-N 2.98Å; F703-A706 PolarHBondContact O-N 2.79Å
707	F	46.2	Very low	48.2	Very low	5 Å²	5	64.8 Å²	64.8	2%	0.022	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-15.2	168.8	-57	-63.5	0	0	0	113.2	M633 M636 L643 M690 F703 M704 E705	M633-F707 HydrophobicContact CE-CD1 3.91Å; M633-F707 HydrophobicContact CE-CE1 3.94Å; M633-F707 HydrophobicContact SD-CD1 4.2Å; M633-F707 HydrophobicContact SD-CE1 3.71Å; M636-F707 HydrophobicContact CB-CD1 4.49Å; M636-F707 HydrophobicContact CB-CE1 3.83Å; M636-F707 HydrophobicContact CB-CZ 4.39Å; M636-F707 HydrophobicContact CE-CZ 4.35Å; M636-F707 HydrophobicContact CG-CE1 4.24Å; M636-F707 HydrophobicContact CG-CZ 4.5Å; L643-F707 HydrophobicContact CD1-CB 4.08Å; L643-F707 HydrophobicContact CD1-CD2 4.06Å; L643-F707 HydrophobicContact CD1-CG 4Å; L643-F707 HydrophobicContact CD2-CD2 4.07Å; L643-F707 HydrophobicContact CD2-CE1 4.48Å; L643-F707 HydrophobicContact CD2-CE2 4.09Å; L643-F707 HydrophobicContact CD2-CG 4.38Å; L643-F707 HydrophobicContact CD2-CZ 4.29Å; M690-F707 HydrophobicContact CE-CD2 4.5Å; M690-F707 HydrophobicContact CE-CE1 4.31Å; M690-F707 HydrophobicContact CE-CE2 3.56Å; M690-F707 HydrophobicContact CE-CZ 3.46Å; M690-F707 VanDerWaalsContact CE-CZ 3.46Å; F703-F707 AromaticContact CD1-CD2 3.99Å; F703-F707 HydrophobicContact CD1-CD2 3.99Å; F703-F707 AromaticContact CD1-CE2 3.54Å; F703-F707 HydrophobicContact CD1-CE2 3.54Å; F703-F707 AromaticContact CD2-CE2 3.8Å; F703-F707 HydrophobicContact CD2-CE2 3.8Å; F703-F707 HydrophobicContact CD2-CZ 4.47Å; F703-F707 HydrophobicContact CE1-CD2 4.11Å; F703-F707 AromaticContact CE1-CE2 3.44Å; F703-F707 HydrophobicContact CE1-CE2 3.44Å; F703-F707 VanDerWaalsContact CE1-CE2 3.44Å; F703-F707 HydrophobicContact CE1-CZ 4.34Å; F703-F707 AromaticContact CE2-CE2 3.7Å; F703-F707 HydrophobicContact CE2-CE2 3.7Å; F703-F707 HydrophobicContact CE2-CZ 4.09Å; F703-F707 HydrophobicContact CG-CD2 4.35Å; F703-F707 AromaticContact CG-CE2 3.72Å; F703-F707 HydrophobicContact CG-CE2 3.72Å; F703-F707 AromaticContact CZ-CE2 3.52Å; F703-F707 HydrophobicContact CZ-CE2 3.52Å; F703-F707 HydrophobicContact CZ-CZ 4.01Å; F703-F707 WeakPolarHBondContact O-CD2 3.48Å; F703-F707 VanDerWaalsContact O-CE2 3.22Å; F703-F707 WeakPolarHBondContact O-CE2 3.47Å; F703-F707 PolarHBondContact O-N 3.21Å; M704-F707 CarbonylContact O-C 3.58Å; M704-F707 WeakPolarHBondContact O-CA 3.5Å; M704-F707 WeakPolarHBondContact O-CB 3.21Å; M704-F707 PolarHBondContact O-N 2.81Å; E705-F707 PolarHBondContact O-N 2.8Å
708	R	37.8	Very low	46.8	Very low	142 Å²	142	67.2 Å²	67.2	54%	0.536	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-15.5	177.4	-138	-173.7	-164.7	171.3	2.4	114.3	M704 E705 D711 L712	M704-R708 WeakPolarHBondContact O-CB 3.47Å; M704-R708 PolarHBondContact O-N 3.45Å; E705-R708 HydrophobicContact CG-CB 4.36Å; E705-R708 CarbonylContact O-C 3.49Å; E705-R708 PolarHBondContact O-N 3.25Å; E705-R708 VanDerWaalsContact O-N 3.14Å; E705-R708 WeakPolarHBondContact OE2-CB 3.48Å; E705-R708 WeakPolarHBondContact OE2-CD 3.42Å; E705-R708 IonicContact OE2-NE 3.37Å; E705-R708 IonicContact OE2-NH1 3.7Å; E705-R708 PolarHBondContact OE2-NH1 3.5Å; R708-D711 VanDerWaalsContact C-N 3.34Å; R708-D711 HydrophobicContact CG-CB 4.45Å; R708-D711 CarbonylContact O-C 3.51Å; R708-D711 WeakPolarHBondContact O-CA 3.47Å; R708-D711 WeakPolarHBondContact O-CB 3.21Å; R708-D711 PolarHBondContact O-N 2.91Å; R708-L712 PolarHBondContact O-N 3.38Å
709	L	36	Very low	45.1	Very low	57 Å²	57	70.9 Å²	70.9	30%	0.298	40%	0.396	S	S	.	.	H	α-helix	trans	-79.8	-11.7	171.2	-85	155.8	0	0	0	110.4	F692 E705 L712 S713	F692-L709 HydrophobicContact CD1-CD1 3.83Å; F692-L709 HydrophobicContact CD2-CD1 4Å; F692-L709 HydrophobicContact CE1-CD1 3.29Å; F692-L709 HydrophobicContact CE2-CD1 3.46Å; F692-L709 VanDerWaalsContact CE2-CD1 3.46Å; F692-L709 HydrophobicContact CG-CD1 4.18Å; F692-L709 HydrophobicContact CZ-CB 4.25Å; F692-L709 HydrophobicContact CZ-CD1 3.09Å; F692-L709 HydrophobicContact CZ-CG 4.24Å; E705-L709 HydrophobicContact CG-CD1 3.93Å; E705-L709 HydrophobicContact CG-CG 4.13Å; E705-L709 WeakPolarHBondContact O-CA 3.36Å; E705-L709 WeakPolarHBondContact O-CB 3.49Å; E705-L709 WeakPolarHBondContact O-CD1 3.39Å; E705-L709 VanDerWaalsContact O-CG 3.31Å; E705-L709 WeakPolarHBondContact O-CG 3.42Å; E705-L709 PolarHBondContact O-N 3.05Å; L709-L712 HydrophobicContact CD2-CB 4.24Å; L709-S713 WeakPolarHBondContact O-CB 3.36Å; L709-S713 PolarHBondContact O-N 2.95Å; L709-S713 VanDerWaalsContact O-N 3.15Å; L709-S713 PolarHBondContact O-OG 3.23Å
710	V	35.8	Very low	43.5	Very low	62 Å²	62	73 Å²	73	38%	0.376	41%	0.408	S	S	.	.	H	α-helix	trans	-65.5	-24	154.1	-174	0	0	0	0	111.8	M633	M633-V710 HydrophobicContact CE-CG2 4.39Å
711	D	31.1	Very low	42.4	Very low	85 Å²	85	73.9 Å²	73.9	46%	0.455	42%	0.415	S	S	.	.	H	α-helix	trans	-97	-17.8	173.4	-84.4	-22	0	0	0	114	R708	R708-D711 VanDerWaalsContact C-N 3.34Å; R708-D711 HydrophobicContact CG-CB 4.45Å; R708-D711 CarbonylContact O-C 3.51Å; R708-D711 WeakPolarHBondContact O-CA 3.47Å; R708-D711 WeakPolarHBondContact O-CB 3.21Å; R708-D711 PolarHBondContact O-N 2.91Å
712	L	27.5	Very low	41.5	Very low	84 Å²	84	71.3 Å²	71.3	44%	0.44	40%	0.402	S	S	.	.	H	α-helix	trans	-123.2	-8	-168.4	-84.6	158.5	0	0	0	116.8	E705 R708 L709 T714	E705-L712 WeakPolarHBondContact OE1-CD1 3.39Å; R708-L712 PolarHBondContact O-N 3.38Å; L709-L712 HydrophobicContact CD2-CB 4.24Å; L712-T714 PolarHBondContact O-N 3.08Å
713	S	27.6	Very low	39.6	Very low	79 Å²	79	75.4 Å²	75.4	55%	0.552	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	23.5	178.3	79	0	0	0	0	114.9	L709	L709-S713 WeakPolarHBondContact O-CB 3.36Å; L709-S713 PolarHBondContact O-N 2.95Å; L709-S713 VanDerWaalsContact O-N 3.15Å; L709-S713 PolarHBondContact O-OG 3.23Å
714	T	35.2	Very low	37.8	Very low	73 Å²	73	81.2 Å²	81.2	45%	0.448	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	37.4	178.5	53.8	0	0	0	0	113.3	P625 L712	P625-T714 HydrophobicContact CB-CG2 4.07Å; L712-T714 PolarHBondContact O-N 3.08Å
715	H	30.2	Very low	36.5	Very low	176 Å²	176	82.8 Å²	82.8	82%	0.815	47%	0.472	S	S	*	.			trans	-125.6	28.4	167.9	-77.9	-36.7	0	0	0	114.7
716	A	26.1	Very low	35.1	Very low	172 Å²	172	85.6 Å²	85.6	100%	1.421	49%	0.493	S	S	*	.			trans	-127	0	162	0	0	0	0	0	110.7

Retrieved 716 of 716 residues in 1148.4 ms (Link to these results)

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