A0A087XEW6_POEFO Loading...

Hypermethylated in cancer 1 protein

AlphaFold DB , UniProt , Accession A0A087XEW6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 750 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	43.6	Very low	36.6	Very low	235 Å²	235	146.6 Å²	146.6	100%	1.158	75%	0.753	S	S	*	*				0	8.9	0	-151.7	168.6	75.8	0	0	113.4
2	I	36.2	Very low	36.7	Very low	168 Å²	168	149.9 Å²	149.9	86%	0.862	76%	0.763	S	S	*	*			trans	-132.9	123.4	161.3	-49.5	171.8	0	0	0	100.9
3	I	35.5	Very low	36.5	Very low	148 Å²	148	150.9 Å²	150.9	76%	0.759	77%	0.771	S	S	*	*	S	Bend	cis	-108.7	133.5	23.9	-59.8	132.5	0	0	0	111.5
4	K	35.3	Very low	36.3	Very low	188 Å²	188	151.9 Å²	151.9	82%	0.817	78%	0.777	S	S	*	*			trans	-155.9	40.7	167.9	-155.4	-166.4	175.6	-170.1	0	112.3
5	G	36.1	Very low	36.2	Very low	46 Å²	46	145.6 Å²	145.6	47%	0.474	76%	0.764	S	S	.	*	S	Bend	trans	-108.2	-33.3	-175.6	0	0	0	0	0	115.4
6	D	38.9	Very low	36.7	Very low	113 Å²	113	149.2 Å²	149.2	60%	0.604	78%	0.775	S	S	*	*	S	Bend	trans	-111.7	5.5	-160.7	-58.7	-69.6	0	0	0	115.8	M10	D6-M10 WeakPolarHBondContact O-CE 3.46Å
7	L	35.9	Very low	36.7	Very low	144 Å²	144	146.8 Å²	146.8	75%	0.754	78%	0.782	S	S	*	*	S	Bend	trans	-82.8	-37.7	170.2	-101.2	76.8	0	0	0	112.4	R9 M10	L7-R9 PolarHBondContact O-N 3.25Å; L7-R9 VanDerWaalsContact O-N 3.16Å; L7-M10 PolarHBondContact O-N 3.21Å; L7-M10 VanDerWaalsContact O-N 3.15Å
8	D	33.5	Very low	36.7	Very low	116 Å²	116	142.6 Å²	142.6	62%	0.62	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-72	-11.5	-172.1	-60.2	-39	0	0	0	113
9	R	36.4	Very low	36.6	Very low	222 Å²	222	137.6 Å²	137.6	84%	0.838	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-90.2	1.3	173.7	-68.3	-166.5	68.1	169.9	0.6	115.1	L7	L7-R9 PolarHBondContact O-N 3.25Å; L7-R9 VanDerWaalsContact O-N 3.16Å
10	M	35.3	Very low	36.8	Very low	157 Å²	157	133 Å²	133	77%	0.773	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-115.8	12.4	175.2	-69.7	-173.1	-76.5	0	0	113.1	D6 L7	D6-M10 WeakPolarHBondContact O-CE 3.46Å; L7-M10 PolarHBondContact O-N 3.21Å; L7-M10 VanDerWaalsContact O-N 3.15Å
11	A	36.3	Very low	37	Very low	76 Å²	76	131 Å²	131	63%	0.628	74%	0.737	S	S	*	*	S	Bend	trans	-99.5	-14.2	-173.6	0	0	0	0	0	115.2
12	E	37.7	Very low	36.8	Very low	186 Å²	186	126.2 Å²	126.2	87%	0.869	71%	0.709	S	S	*	*	S	Bend	trans	-92.1	-17.2	-169.3	-64.4	-165.9	122.2	0	0	115.4
13	D	34	Very low	37.3	Very low	163 Å²	163	122.6 Å²	122.6	87%	0.872	70%	0.695	S	S	*	*	S	Bend	trans	-102.4	9.7	-163.4	-141.5	19.1	0	0	0	115.5
14	I	34.1	Very low	37.4	Very low	165 Å²	165	121.4 Å²	121.4	85%	0.846	69%	0.688	S	S	*	*			trans	-133	89.6	170.6	-53.2	-178.6	0	0	0	110.3
15	G	33.7	Very low	37.7	Very low	57 Å²	57	114 Å²	114	59%	0.588	66%	0.657	S	S	*	*			trans	-74.9	168.6	175.2	0	0	0	0	0	114.7
16	H	44.3	Very low	37.8	Very low	203 Å²	203	116.4 Å²	116.4	94%	0.94	66%	0.659	S	S	*	*			trans	70	60.9	166.4	-62.3	91.7	0	0	0	118.8
17	A	37.4	Very low	38	Very low	108 Å²	108	115.1 Å²	115.1	89%	0.893	66%	0.664	S	S	*	*			trans	-125.3	15.1	161.3	0	0	0	0	0	114.8
18	G	37	Very low	38	Very low	71 Å²	71	113.8 Å²	113.8	73%	0.732	66%	0.656	S	S	*	*	S	Bend	trans	-92.3	-12.2	-171.4	0	0	0	0	0	117.6
19	G	34.9	Very low	38.5	Very low	48 Å²	48	118.2 Å²	118.2	50%	0.495	67%	0.672	S	S	.	*	S	Bend	trans	-81.3	-48.5	-166.4	0	0	0	0	0	116	L21 K22 T23	G19-L21 PolarHBondContact O-N 3.15Å; G19-K22 PolarHBondContact O-N 3.19Å; G19-T23 PolarHBondContact O-N 2.63Å; G19-T23 PolarHBondContact O-OG1 2.84Å
20	G	39.3	Very low	38.8	Very low	45 Å²	45	110.1 Å²	110.1	46%	0.464	65%	0.647	S	S	.	*	H	α-helix	trans	-64.8	-35.6	-160	0	0	0	0	0	116	K22 T23 M24	G20-K22 VanDerWaalsContact C-N 3.35Å; G20-K22 PolarHBondContact O-N 3.16Å; G20-T23 PolarHBondContact O-OG1 3.19Å; G20-T23 VanDerWaalsContact O-OG1 3.14Å; G20-M24 WeakPolarHBondContact O-CG 3.43Å; G20-M24 PolarHBondContact O-N 3.16Å; G20-M24 VanDerWaalsContact O-N 3.15Å
21	L	41	Very low	39.3	Very low	93 Å²	93	107.3 Å²	107.3	49%	0.487	64%	0.641	S	S	.	*	H	α-helix	trans	-69.8	-35.1	-179.3	-154.7	80.6	0	0	0	111.6	G19 L25	G19-L21 PolarHBondContact O-N 3.15Å; L21-L25 HydrophobicContact CG-CD1 4.1Å; L21-L25 WeakPolarHBondContact O-CD1 3.23Å; L21-L25 PolarHBondContact O-N 3.42Å; L21-L25 VanDerWaalsContact O-N 3.11Å
22	K	40.6	Very low	39.8	Very low	134 Å²	134	108 Å²	108	58%	0.583	64%	0.641	S	S	*	*	H	α-helix	trans	-71.6	-43.2	-177.8	-168.7	169.4	-179.8	175.3	0	111.2	G19 G20 L25 D26	G19-K22 PolarHBondContact O-N 3.19Å; G20-K22 VanDerWaalsContact C-N 3.35Å; G20-K22 PolarHBondContact O-N 3.16Å; K22-L25 PolarHBondContact O-N 3.36Å; K22-D26 PolarHBondContact O-N 3.25Å; K22-D26 VanDerWaalsContact O-OD2 3.11Å
23	T	46.4	Very low	40	Very low	91 Å²	91	106.7 Å²	106.7	56%	0.558	64%	0.635	S	S	*	*	H	α-helix	trans	-67	-33.9	175.8	50.8	0	0	0	0	112.8	G19 G20 D26 A27	G19-T23 PolarHBondContact O-N 2.63Å; G19-T23 PolarHBondContact O-OG1 2.84Å; G20-T23 PolarHBondContact O-OG1 3.19Å; G20-T23 VanDerWaalsContact O-OG1 3.14Å; T23-D26 PolarHBondContact O-N 3.15Å; T23-A27 WeakPolarHBondContact O-CB 3.49Å; T23-A27 PolarHBondContact O-N 2.79Å
24	M	37.9	Very low	40.3	Very low	124 Å²	124	100.9 Å²	100.9	61%	0.611	61%	0.61	S	S	*	*	H	α-helix	trans	-64.4	-41.9	171.2	-75.6	-177.5	69.5	0	0	112.7	G20 D26 A27 M28	G20-M24 WeakPolarHBondContact O-CG 3.43Å; G20-M24 PolarHBondContact O-N 3.16Å; G20-M24 VanDerWaalsContact O-N 3.15Å; M24-D26 VanDerWaalsContact C-N 3.33Å; M24-A27 PolarHBondContact O-N 3.23Å; M24-M28 PolarHBondContact O-N 3.46Å
25	L	40.6	Very low	41.1	Very low	32 Å²	32	95.8 Å²	95.8	17%	0.168	58%	0.58	C	S	.	*	H	α-helix	trans	-76.3	-15.2	177	-87.8	85.2	0	0	0	114.2	L21 K22 R35 L38	L21-L25 HydrophobicContact CG-CD1 4.1Å; L21-L25 WeakPolarHBondContact O-CD1 3.23Å; L21-L25 PolarHBondContact O-N 3.42Å; L21-L25 VanDerWaalsContact O-N 3.11Å; K22-L25 PolarHBondContact O-N 3.36Å; L25-R35 HydrophobicContact CD2-CB 4.23Å; L25-R35 HydrophobicContact CD2-CG 3.89Å; L25-L38 HydrophobicContact CD2-CD1 4.15Å
26	D	38.2	Very low	41.7	Very low	96 Å²	96	97.7 Å²	97.7	51%	0.513	58%	0.577	S	S	.	*	H	α-helix	trans	-85.9	-20.5	168.1	-76.4	-51.5	0	0	0	112.5	K22 T23 M24 R35	K22-D26 PolarHBondContact O-N 3.25Å; K22-D26 VanDerWaalsContact O-OD2 3.11Å; T23-D26 PolarHBondContact O-N 3.15Å; M24-D26 VanDerWaalsContact C-N 3.33Å; D26-R35 IonicContact OD1-CZ 2.91Å; D26-R35 IonicContact OD1-NH1 2.67Å; D26-R35 PolarHBondContact OD1-NH1 2.99Å; D26-R35 IonicContact OD1-NH2 2.73Å; D26-R35 PolarHBondContact OD1-NH2 2.92Å; D26-R35 IonicContact OD2-CZ 3.8Å; D26-R35 IonicContact OD2-NH2 2.76Å; D26-R35 PolarHBondContact OD2-NH2 2.9Å
27	A	43.1	Very low	41.8	Very low	87 Å²	87	92.7 Å²	92.7	72%	0.719	56%	0.556	S	S	*	*	S	Bend	trans	-87	-9.1	177	0	0	0	0	0	114.1	T23 M24	T23-A27 WeakPolarHBondContact O-CB 3.49Å; T23-A27 PolarHBondContact O-N 2.79Å; M24-A27 PolarHBondContact O-N 3.23Å
28	M	37.4	Very low	42.1	Very low	116 Å²	116	91.6 Å²	91.6	57%	0.571	54%	0.535	S	S	*	.	S	Bend	trans	-112.2	125.3	171.7	-62.8	175	62.3	0	0	108.4	M24 V30	M24-M28 PolarHBondContact O-N 3.46Å; M28-V30 HydrophobicContact CB-CG2 3.85Å; M28-V30 HydrophobicContact CE-CG2 4.42Å; M28-V30 PolarHBondContact O-N 3.44Å
29	E	42.2	Very low	42.9	Very low	208 Å²	208	92 Å²	92	97%	0.972	52%	0.52	S	S	*	.			trans	-72	71.4	177	-68.4	-172.2	123.9	0	0	111.6
30	V	44	Very low	43.5	Very low	52 Å²	52	95.9 Å²	95.9	32%	0.315	53%	0.525	S	S	.	.			trans	-96	128.2	179.3	177.4	0	0	0	0	109.3	M28 S32 A34	M28-V30 HydrophobicContact CB-CG2 3.85Å; M28-V30 HydrophobicContact CE-CG2 4.42Å; M28-V30 PolarHBondContact O-N 3.44Å; V30-S32 PolarHBondContact O-N 3.31Å; V30-A34 HydrophobicContact CG1-CB 3.85Å
31	P	46.1	Very low	43.6	Very low	99 Å²	99	97 Å²	97	64%	0.643	52%	0.52	S	S	*	.			trans	-52.9	133.7	176.5	-28.7	35.9	0	0	0	112.6	H33 A34	P31-H33 PolarHBondContact O-N 3.45Å; P31-A34 PolarHBondContact O-N 3.49Å
32	S	46.3	Very low	43.6	Very low	90 Å²	90	96.1 Å²	96.1	63%	0.629	52%	0.516	S	S	*	.	H	α-helix	trans	-49.5	-36.9	-170.8	49.9	0	0	0	0	114.5	V30 A34 R35 D36	V30-S32 PolarHBondContact O-N 3.31Å; S32-A34 VanDerWaalsContact C-N 3.28Å; S32-A34 PolarHBondContact O-N 3.19Å; S32-R35 WeakPolarHBondContact O-CB 3.35Å; S32-R35 PolarHBondContact O-N 3.38Å; S32-R35 VanDerWaalsContact O-N 3.09Å; S32-D36 PolarHBondContact O-N 3.08Å; S32-D36 VanDerWaalsContact O-N 3.13Å
33	H	41.5	Very low	43.9	Very low	158 Å²	158	94 Å²	94	73%	0.731	52%	0.518	S	S	*	.	H	α-helix	trans	-61.2	-32.6	179.7	-156.9	57.9	0	0	0	113.7	P31 L37	P31-H33 PolarHBondContact O-N 3.45Å; H33-L37 PolarHBondContact O-N 3.42Å
34	A	41.5	Very low	43.8	Very low	42 Å²	42	96.1 Å²	96.1	35%	0.347	52%	0.522	S	S	.	.	H	α-helix	trans	-78.9	-29.3	175.6	0	0	0	0	0	112.5	V30 P31 S32 L38	V30-A34 HydrophobicContact CG1-CB 3.85Å; P31-A34 PolarHBondContact O-N 3.49Å; S32-A34 VanDerWaalsContact C-N 3.28Å; S32-A34 PolarHBondContact O-N 3.19Å; A34-L38 VanDerWaalsContact O-CG 3.31Å; A34-L38 WeakPolarHBondContact O-CG 3.49Å; A34-L38 PolarHBondContact O-N 3.46Å; A34-L38 VanDerWaalsContact O-N 3.08Å
35	R	48.9	Very low	43.7	Very low	58 Å²	58	99.5 Å²	99.5	22%	0.219	53%	0.528	C	S	.	.	H	α-helix	trans	-63.6	-47.3	174.3	177	-177.6	-168.1	160.3	9.4	111.3	L25 D26 S32 L38 L39	L25-R35 HydrophobicContact CD2-CB 4.23Å; L25-R35 HydrophobicContact CD2-CG 3.89Å; D26-R35 IonicContact OD1-CZ 2.91Å; D26-R35 IonicContact OD1-NH1 2.67Å; D26-R35 PolarHBondContact OD1-NH1 2.99Å; D26-R35 IonicContact OD1-NH2 2.73Å; D26-R35 PolarHBondContact OD1-NH2 2.92Å; D26-R35 IonicContact OD2-CZ 3.8Å; D26-R35 IonicContact OD2-NH2 2.76Å; D26-R35 PolarHBondContact OD2-NH2 2.9Å; S32-R35 WeakPolarHBondContact O-CB 3.35Å; S32-R35 PolarHBondContact O-N 3.38Å; S32-R35 VanDerWaalsContact O-N 3.09Å; R35-L38 PolarHBondContact O-N 3.45Å; R35-L39 HydrophobicContact CG-CD1 4.15Å; R35-L39 WeakPolarHBondContact O-CG 3.32Å; R35-L39 PolarHBondContact O-N 3.4Å
36	D	47.3	Very low	43.7	Very low	97 Å²	97	102.8 Å²	102.8	52%	0.519	55%	0.549	S	S	.	.	H	α-helix	trans	-65.8	-41	178.6	-68.4	-24.1	0	0	0	111.4	S32 L38 L39 Q40	S32-D36 PolarHBondContact O-N 3.08Å; S32-D36 VanDerWaalsContact O-N 3.13Å; D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 PolarHBondContact O-N 2.63Å; D36-L39 PolarHBondContact O-N 2.98Å; D36-Q40 VanDerWaalsContact O-CB 3.32Å; D36-Q40 WeakPolarHBondContact O-CB 3.23Å; D36-Q40 PolarHBondContact O-N 2.97Å
37	L	46.5	Very low	43.7	Very low	98 Å²	98	108.7 Å²	108.7	51%	0.513	57%	0.57	S	S	.	*	H	α-helix	trans	-59	-43.3	175.6	-155.3	92.2	0	0	0	112.2	H33 Q40 L41	H33-L37 PolarHBondContact O-N 3.42Å; L37-Q40 PolarHBondContact O-N 3.28Å; L37-L41 HydrophobicContact CD2-CD1 4.35Å; L37-L41 HydrophobicContact CG-CD1 4.46Å; L37-L41 WeakPolarHBondContact O-CB 3.42Å; L37-L41 VanDerWaalsContact O-CG 3.28Å; L37-L41 WeakPolarHBondContact O-CG 3.4Å; L37-L41 PolarHBondContact O-N 3.21Å
38	L	44.6	Very low	43.7	Very low	84 Å²	84	106.8 Å²	106.8	44%	0.44	56%	0.559	S	S	.	*	H	α-helix	trans	-67.8	-38.3	177.6	-74.3	168.3	0	0	0	112.7	L25 A34 R35 D36 N42	L25-L38 HydrophobicContact CD2-CD1 4.15Å; A34-L38 VanDerWaalsContact O-CG 3.31Å; A34-L38 WeakPolarHBondContact O-CG 3.49Å; A34-L38 PolarHBondContact O-N 3.46Å; A34-L38 VanDerWaalsContact O-N 3.08Å; R35-L38 PolarHBondContact O-N 3.45Å; D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 PolarHBondContact O-N 2.63Å; L38-N42 WeakPolarHBondContact O-CB 3.24Å; L38-N42 PolarHBondContact O-N 3.18Å
39	L	52.4	Low	43.8	Very low	81 Å²	81	107.7 Å²	107.7	42%	0.424	56%	0.56	S	S	.	*	H	α-helix	trans	-67	-40	174.7	-71	169.7	0	0	0	111.5	R35 D36 N42	R35-L39 HydrophobicContact CG-CD1 4.15Å; R35-L39 WeakPolarHBondContact O-CG 3.32Å; R35-L39 PolarHBondContact O-N 3.4Å; D36-L39 PolarHBondContact O-N 2.98Å; L39-N42 PolarHBondContact O-N 3.3Å
40	Q	48.2	Very low	43.6	Very low	129 Å²	129	103.7 Å²	103.7	60%	0.603	55%	0.545	S	S	*	.	H	α-helix	trans	-65.2	-44.6	176.2	-166	171.7	13.9	0	0	111.3	D36 L37 N42 S43	D36-Q40 VanDerWaalsContact O-CB 3.32Å; D36-Q40 WeakPolarHBondContact O-CB 3.23Å; D36-Q40 PolarHBondContact O-N 2.97Å; L37-Q40 PolarHBondContact O-N 3.28Å; Q40-N42 PolarHBondContact O-N 3.33Å; Q40-S43 WeakPolarHBondContact O-CB 3.36Å; Q40-S43 PolarHBondContact O-N 3.39Å; Q40-S43 PolarHBondContact O-OG 2.78Å
41	L	40.9	Very low	43.4	Very low	67 Å²	67	105.3 Å²	105.3	35%	0.351	56%	0.557	S	S	.	*	H	α-helix	trans	-62	-39.3	175.3	-75.4	166.4	0	0	0	113	L37 S43 Q44 V53	L37-L41 HydrophobicContact CD2-CD1 4.35Å; L37-L41 HydrophobicContact CG-CD1 4.46Å; L37-L41 WeakPolarHBondContact O-CB 3.42Å; L37-L41 VanDerWaalsContact O-CG 3.28Å; L37-L41 WeakPolarHBondContact O-CG 3.4Å; L37-L41 PolarHBondContact O-N 3.21Å; L41-S43 PolarHBondContact O-N 3.03Å; L41-S43 VanDerWaalsContact O-N 3.16Å; L41-Q44 PolarHBondContact O-N 3.3Å; L41-Q44 VanDerWaalsContact O-N 3.15Å; L41-V53 HydrophobicContact CD1-CG1 4.43Å; L41-V53 HydrophobicContact CD2-CG2 4.28Å
42	N	41.3	Very low	43	Very low	76 Å²	76	104.9 Å²	104.9	41%	0.406	55%	0.55	S	S	.	.	H	α-helix	trans	-64.2	-18.9	177.9	-178.8	49.8	0	0	0	113.4	L38 L39 Q40 R45	L38-N42 WeakPolarHBondContact O-CB 3.24Å; L38-N42 PolarHBondContact O-N 3.18Å; L39-N42 PolarHBondContact O-N 3.3Å; Q40-N42 PolarHBondContact O-N 3.33Å; N42-R45 PolarHBondContact OD1-NH2 2.82Å
43	S	46.1	Very low	42.7	Very low	90 Å²	90	103 Å²	103	63%	0.629	53%	0.534	S	S	*	.	H	α-helix	trans	-74.7	-24.9	175.2	76.4	0	0	0	0	114.1	Q40 L41 R45	Q40-S43 WeakPolarHBondContact O-CB 3.36Å; Q40-S43 PolarHBondContact O-N 3.39Å; Q40-S43 PolarHBondContact O-OG 2.78Å; L41-S43 PolarHBondContact O-N 3.03Å; L41-S43 VanDerWaalsContact O-N 3.16Å; S43-R45 VanDerWaalsContact C-N 3.34Å; S43-R45 PolarHBondContact O-N 2.9Å
44	Q	44.2	Very low	43	Very low	135 Å²	135	100.2 Å²	100.2	63%	0.631	52%	0.524	S	S	*	.			trans	-95.2	44.1	-172.8	-62.6	-170	-10.5	0	0	113	L41 T46	L41-Q44 PolarHBondContact O-N 3.3Å; L41-Q44 VanDerWaalsContact O-N 3.15Å; Q44-T46 PolarHBondContact O-N 2.66Å
45	R	37.6	Very low	43.4	Very low	195 Å²	195	102.8 Å²	102.8	74%	0.736	53%	0.531	S	S	*	.			trans	-79.9	72.2	-171.1	-164.9	-171.4	-65.4	-174.8	-1.8	113.9	N42 S43	N42-R45 PolarHBondContact OD1-NH2 2.82Å; S43-R45 VanDerWaalsContact C-N 3.34Å; S43-R45 PolarHBondContact O-N 2.9Å
46	T	39.8	Very low	43.1	Very low	101 Å²	101	104.7 Å²	104.7	62%	0.62	55%	0.549	S	S	*	.			trans	-107.3	138.5	162.9	43	0	0	0	0	111.4	Q44 G48	Q44-T46 PolarHBondContact O-N 2.66Å; T46-G48 PolarHBondContact O-N 3.24Å
47	K	37.5	Very low	42.9	Very low	219 Å²	219	103 Å²	103	95%	0.952	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	119	-170.6	-62.1	173.3	-178.5	175.7	0	110.9
48	G	43.5	Very low	42.8	Very low	48 Å²	48	101.8 Å²	101.8	50%	0.495	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	146.6	-69.6	-176.8	0	0	0	0	0	110.8	T46 L50 C51	T46-G48 PolarHBondContact O-N 3.24Å; G48-L50 PolarHBondContact O-N 2.81Å; G48-C51 PolarHBondContact O-N 3.44Å
49	F	38.8	Very low	42.7	Very low	135 Å²	135	101.9 Å²	101.9	59%	0.592	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-13	-173.9	-72.5	-81.8	0	0	0	116.9	C51 D52 V53	F49-C51 VanDerWaalsContact C-N 3.3Å; F49-C51 PolarHBondContact O-N 2.97Å; F49-D52 PolarHBondContact O-N 3.44Å; F49-V53 VanDerWaalsContact O-CB 3.31Å; F49-V53 WeakPolarHBondContact O-CB 3.32Å; F49-V53 VanDerWaalsContact O-CG2 3.24Å; F49-V53 WeakPolarHBondContact O-CG2 3.49Å; F49-V53 PolarHBondContact O-N 3.35Å
50	L	39	Very low	42.1	Very low	124 Å²	124	100.6 Å²	100.6	65%	0.649	54%	0.535	S	S	*	.	H	α-helix	trans	-62.6	-35.8	177.4	-102.1	166.3	0	0	0	112.4	G48 I54	G48-L50 PolarHBondContact O-N 2.81Å; L50-I54 WeakPolarHBondContact O-CB 3.43Å; L50-I54 WeakPolarHBondContact O-CD1 3.04Å; L50-I54 WeakPolarHBondContact O-CG1 3.39Å; L50-I54 PolarHBondContact O-N 3.1Å
51	C	39.2	Very low	41.9	Very low	85 Å²	85	98.8 Å²	98.8	57%	0.574	53%	0.529	S	S	*	.	H	α-helix	trans	-68.2	-48.3	177.2	-61.9	0	0	0	0	111	G48 F49 I54 I55	G48-C51 PolarHBondContact O-N 3.44Å; F49-C51 VanDerWaalsContact C-N 3.3Å; F49-C51 PolarHBondContact O-N 2.97Å; C51-I54 PolarHBondContact O-N 3.33Å; C51-I55 WeakPolarHBondContact O-CG1 3.5Å; C51-I55 PolarHBondContact O-N 3.37Å
52	D	38.4	Very low	42.1	Very low	91 Å²	91	100.4 Å²	100.4	49%	0.487	53%	0.534	S	S	.	.	H	α-helix	trans	-65.8	-41	180	-55	-52.7	0	0	0	112.2	F49 I54 I55 V56	F49-D52 PolarHBondContact O-N 3.44Å; D52-I54 VanDerWaalsContact C-N 3.34Å; D52-I54 PolarHBondContact O-N 2.67Å; D52-I55 PolarHBondContact O-N 3.18Å; D52-V56 WeakPolarHBondContact O-CB 3.12Å; D52-V56 VanDerWaalsContact O-CG2 3.28Å; D52-V56 WeakPolarHBondContact O-CG2 3.28Å; D52-V56 PolarHBondContact O-N 2.76Å
53	V	40.3	Very low	42.2	Very low	49 Å²	49	106.1 Å²	106.1	30%	0.297	55%	0.55	S	S	.	.	H	α-helix	trans	-65.2	-38.3	175.1	171.8	0	0	0	0	110.9	L41 F49 V57	L41-V53 HydrophobicContact CD1-CG1 4.43Å; L41-V53 HydrophobicContact CD2-CG2 4.28Å; F49-V53 VanDerWaalsContact O-CB 3.31Å; F49-V53 WeakPolarHBondContact O-CB 3.32Å; F49-V53 VanDerWaalsContact O-CG2 3.24Å; F49-V53 WeakPolarHBondContact O-CG2 3.49Å; F49-V53 PolarHBondContact O-N 3.35Å; V53-V57 HydrophobicContact CG1-CG2 4.23Å; V53-V57 VanDerWaalsContact O-CB 3.29Å; V53-V57 WeakPolarHBondContact O-CB 3.32Å; V53-V57 VanDerWaalsContact O-CG2 3.22Å; V53-V57 WeakPolarHBondContact O-CG2 3.15Å; V53-V57 PolarHBondContact O-N 2.93Å
54	I	47.6	Very low	41.8	Very low	101 Å²	101	104.4 Å²	104.4	52%	0.518	54%	0.541	S	S	.	.	H	α-helix	trans	-61.9	-48.6	171.6	-74	165.8	0	0	0	110.3	L50 C51 D52 V56 V57 Q58	L50-I54 WeakPolarHBondContact O-CB 3.43Å; L50-I54 WeakPolarHBondContact O-CD1 3.04Å; L50-I54 WeakPolarHBondContact O-CG1 3.39Å; L50-I54 PolarHBondContact O-N 3.1Å; C51-I54 PolarHBondContact O-N 3.33Å; D52-I54 VanDerWaalsContact C-N 3.34Å; D52-I54 PolarHBondContact O-N 2.67Å; I54-V56 PolarHBondContact O-N 3.13Å; I54-V57 PolarHBondContact O-N 3.35Å; I54-Q58 WeakPolarHBondContact O-CB 3.48Å; I54-Q58 PolarHBondContact O-N 3.26Å
55	I	49.4	Very low	41.6	Very low	96 Å²	96	102.7 Å²	102.7	49%	0.492	53%	0.533	S	S	.	.	H	α-helix	trans	-61.3	-42	179.3	-68.6	164.1	0	0	0	111.5	C51 D52 N59	C51-I55 WeakPolarHBondContact O-CG1 3.5Å; C51-I55 PolarHBondContact O-N 3.37Å; D52-I55 PolarHBondContact O-N 3.18Å; I55-N59 WeakPolarHBondContact O-CB 3.34Å; I55-N59 PolarHBondContact O-N 3.37Å; I55-N59 PolarHBondContact O-ND2 3.4Å
56	V	42.3	Very low	41.7	Very low	98 Å²	98	101.3 Å²	101.3	59%	0.594	53%	0.532	S	S	*	.	H	α-helix	trans	-68	-43.3	178	169.3	0	0	0	0	111.4	D52 I54 N59 A60	D52-V56 WeakPolarHBondContact O-CB 3.12Å; D52-V56 VanDerWaalsContact O-CG2 3.28Å; D52-V56 WeakPolarHBondContact O-CG2 3.28Å; D52-V56 PolarHBondContact O-N 2.76Å; I54-V56 PolarHBondContact O-N 3.13Å; V56-N59 PolarHBondContact O-N 3.09Å; V56-A60 VanDerWaalsContact O-CB 3.3Å; V56-A60 WeakPolarHBondContact O-CB 3.33Å; V56-A60 PolarHBondContact O-N 3.28Å
57	V	42.9	Very low	41.8	Very low	60 Å²	60	103.2 Å²	103.2	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-67.6	-40.3	176.6	170.3	0	0	0	0	111.3	V53 I54 N59 A60 L61	V53-V57 HydrophobicContact CG1-CG2 4.23Å; V53-V57 VanDerWaalsContact O-CB 3.29Å; V53-V57 WeakPolarHBondContact O-CB 3.32Å; V53-V57 VanDerWaalsContact O-CG2 3.22Å; V53-V57 WeakPolarHBondContact O-CG2 3.15Å; V53-V57 PolarHBondContact O-N 2.93Å; I54-V57 PolarHBondContact O-N 3.35Å; V57-N59 PolarHBondContact O-N 3.01Å; V57-A60 PolarHBondContact O-N 3.05Å; V57-L61 HydrophobicContact CG1-CD1 3.95Å; V57-L61 HydrophobicContact CG1-CG 4.44Å; V57-L61 WeakPolarHBondContact O-CB 3.35Å; V57-L61 WeakPolarHBondContact O-CG 3.31Å; V57-L61 PolarHBondContact O-N 3.08Å
58	Q	44.2	Very low	41.8	Very low	73 Å²	73	98.4 Å²	98.4	34%	0.341	52%	0.522	S	S	.	.	H	α-helix	trans	-60.7	-45.9	175	-159.1	78	-6.1	0	0	110.7	I54 L61 F62	I54-Q58 WeakPolarHBondContact O-CB 3.48Å; I54-Q58 PolarHBondContact O-N 3.26Å; Q58-L61 PolarHBondContact O-N 2.86Å; Q58-F62 HydrophobicContact CG-CD2 4.5Å; Q58-F62 WeakPolarHBondContact O-CB 3.33Å; Q58-F62 WeakPolarHBondContact O-CD2 3.4Å; Q58-F62 PolarHBondContact O-N 3.06Å
59	N	42.3	Very low	41.8	Very low	86 Å²	86	99 Å²	99	46%	0.46	51%	0.513	S	S	.	.	H	α-helix	trans	-67.3	-35.4	176.1	-84.1	-69.7	0	0	0	113.3	I55 V56 V57 R63	I55-N59 WeakPolarHBondContact O-CB 3.34Å; I55-N59 PolarHBondContact O-N 3.37Å; I55-N59 PolarHBondContact O-ND2 3.4Å; V56-N59 PolarHBondContact O-N 3.09Å; V57-N59 PolarHBondContact O-N 3.01Å; N59-R63 WeakPolarHBondContact O-CG 3.49Å; N59-R63 PolarHBondContact O-N 2.93Å
60	A	40	Very low	42	Very low	55 Å²	55	97.4 Å²	97.4	46%	0.455	53%	0.525	S	S	.	.	H	α-helix	trans	-67.5	-44	174.8	0	0	0	0	0	111.4	V56 V57 R63 A64	V56-A60 VanDerWaalsContact O-CB 3.3Å; V56-A60 WeakPolarHBondContact O-CB 3.33Å; V56-A60 PolarHBondContact O-N 3.28Å; V57-A60 PolarHBondContact O-N 3.05Å; A60-R63 PolarHBondContact O-N 2.86Å; A60-A64 PolarHBondContact O-N 2.89Å
61	L	44.9	Very low	41.8	Very low	90 Å²	90	96 Å²	96	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-60.7	-46.1	173.2	-76.6	167.8	0	0	0	111.3	V57 Q58 R63 A64 H65	V57-L61 HydrophobicContact CG1-CD1 3.95Å; V57-L61 HydrophobicContact CG1-CG 4.44Å; V57-L61 WeakPolarHBondContact O-CB 3.35Å; V57-L61 WeakPolarHBondContact O-CG 3.31Å; V57-L61 PolarHBondContact O-N 3.08Å; Q58-L61 PolarHBondContact O-N 2.86Å; L61-R63 VanDerWaalsContact C-N 3.31Å; L61-R63 PolarHBondContact O-N 3.27Å; L61-A64 PolarHBondContact O-N 2.82Å; L61-H65 VanDerWaalsContact O-CB 3.31Å; L61-H65 WeakPolarHBondContact O-CB 3.32Å; L61-H65 PolarHBondContact O-N 3.44Å
62	F	44.2	Very low	41.8	Very low	102 Å²	102	94.5 Å²	94.5	45%	0.447	52%	0.522	S	S	.	.	H	α-helix	trans	-56.7	-41.8	174.2	-104.8	-86.8	0	0	0	112.5	Q58 K66 L79	Q58-F62 HydrophobicContact CG-CD2 4.5Å; Q58-F62 WeakPolarHBondContact O-CB 3.33Å; Q58-F62 WeakPolarHBondContact O-CD2 3.4Å; Q58-F62 PolarHBondContact O-N 3.06Å; F62-K66 WeakPolarHBondContact O-CB 3.28Å; F62-K66 PolarHBondContact O-N 2.93Å; F62-L79 HydrophobicContact CE1-CD2 4.48Å
63	R	43.3	Very low	41.7	Very low	196 Å²	196	95.2 Å²	95.2	74%	0.74	53%	0.534	S	S	*	.	H	α-helix	trans	-69.2	-39.9	177.6	-74.4	174.6	-177.3	-110.8	-0.5	112.8	N59 A60 L61	N59-R63 WeakPolarHBondContact O-CG 3.49Å; N59-R63 PolarHBondContact O-N 2.93Å; A60-R63 PolarHBondContact O-N 2.86Å; L61-R63 VanDerWaalsContact C-N 3.31Å; L61-R63 PolarHBondContact O-N 3.27Å
64	A	37.7	Very low	41.7	Very low	54 Å²	54	101 Å²	101	45%	0.446	56%	0.558	S	S	.	*	H	α-helix	trans	-65.1	-45.7	174.1	0	0	0	0	0	111.6	A60 L61 K66 N67	A60-A64 PolarHBondContact O-N 2.89Å; L61-A64 PolarHBondContact O-N 2.82Å; A64-K66 PolarHBondContact O-N 2.84Å; A64-N67 PolarHBondContact O-N 3.35Å
65	H	41.1	Very low	41.4	Very low	98 Å²	98	100.7 Å²	100.7	45%	0.454	55%	0.551	S	S	.	*	H	α-helix	trans	-70.5	-28	-179.2	-90.7	-116.1	0	0	0	113.7	L61 N67 I68 L69	L61-H65 VanDerWaalsContact O-CB 3.31Å; L61-H65 WeakPolarHBondContact O-CB 3.32Å; L61-H65 PolarHBondContact O-N 3.44Å; H65-N67 PolarHBondContact O-N 3.13Å; H65-I68 PolarHBondContact O-N 3.44Å; H65-L69 HydrophobicContact CB-CD1 4.01Å; H65-L69 WeakPolarHBondContact ND1-CD1 3.43Å; H65-L69 PolarHBondContact O-N 2.88Å
66	K	39.9	Very low	40.9	Very low	167 Å²	167	101.7 Å²	101.7	73%	0.726	56%	0.556	S	S	*	*	H	α-helix	trans	-56.5	-32.9	176.1	-176.1	170	-179.4	174.1	0	112.9	F62 A64 I68	F62-K66 WeakPolarHBondContact O-CB 3.28Å; F62-K66 PolarHBondContact O-N 2.93Å; A64-K66 PolarHBondContact O-N 2.84Å; K66-I68 VanDerWaalsContact C-N 3.33Å
67	N	40.4	Very low	40.8	Very low	141 Å²	141	105.7 Å²	105.7	75%	0.754	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-12.7	178.2	-66.8	-4.7	0	0	0	113.5	A64 H65	A64-N67 PolarHBondContact O-N 3.35Å; H65-N67 PolarHBondContact O-N 3.13Å
68	I	38.6	Very low	40.8	Very low	118 Å²	118	104.4 Å²	104.4	61%	0.605	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	-35.3	-177.7	-59.9	175.5	0	0	0	111.2	H65 K66 A70	H65-I68 PolarHBondContact O-N 3.44Å; K66-I68 VanDerWaalsContact C-N 3.33Å; I68-A70 VanDerWaalsContact C-N 3.26Å; I68-A70 PolarHBondContact O-N 3.3Å
69	L	43.3	Very low	40.7	Very low	60 Å²	60	103.5 Å²	103.5	31%	0.314	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-74.8	-5.1	-174.4	-100.4	76.6	0	0	0	115.6	H65 A71 S72	H65-L69 HydrophobicContact CB-CD1 4.01Å; H65-L69 WeakPolarHBondContact ND1-CD1 3.43Å; H65-L69 PolarHBondContact O-N 2.88Å; L69-A71 PolarHBondContact O-N 3.27Å; L69-S72 PolarHBondContact O-N 2.95Å
70	A	42.9	Very low	40.8	Very low	101 Å²	101	103 Å²	103	84%	0.835	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-59.7	-12.5	174.7	0	0	0	0	0	113.9	I68	I68-A70 VanDerWaalsContact C-N 3.26Å; I68-A70 PolarHBondContact O-N 3.3Å
71	A	36	Very low	41	Very low	96 Å²	96	101.1 Å²	101.1	79%	0.793	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-107.9	-1.2	-172.2	0	0	0	0	0	116.2	L69	L69-A71 PolarHBondContact O-N 3.27Å
72	S	37.5	Very low	40.9	Very low	53 Å²	53	98.1 Å²	98.1	37%	0.371	52%	0.523	S	S	.	.			trans	-134.7	101.7	-171.9	67.4	0	0	0	0	115.5	L69 H74 Y75	L69-S72 PolarHBondContact O-N 2.95Å; S72-H74 PolarHBondContact O-N 2.81Å; S72-H74 VanDerWaalsContact O-N 3.16Å; S72-Y75 PolarHBondContact O-N 2.98Å
73	S	37.6	Very low	40.9	Very low	105 Å²	105	97.2 Å²	97.2	73%	0.734	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-62	-20.4	177.7	57.8	0	0	0	0	114.9	Y75	S73-Y75 VanDerWaalsContact C-N 3.3Å; S73-Y75 PolarHBondContact O-N 3.43Å
74	H	39.8	Very low	40.8	Very low	172 Å²	172	91.8 Å²	91.8	80%	0.796	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-74.8	-15.7	-174.1	-132.5	-79	0	0	0	114.3	S72	S72-H74 PolarHBondContact O-N 2.81Å; S72-H74 VanDerWaalsContact O-N 3.16Å
75	Y	41	Very low	41.2	Very low	94 Å²	94	89.5 Å²	89.5	37%	0.369	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-92.5	-14.4	-176.8	-115.2	-84.8	0	0	0	115	S72 S73 K77 S78 L79	S72-Y75 PolarHBondContact O-N 2.98Å; S73-Y75 VanDerWaalsContact C-N 3.3Å; S73-Y75 PolarHBondContact O-N 3.43Å; Y75-K77 PolarHBondContact O-N 3.31Å; Y75-K77 VanDerWaalsContact O-N 3.12Å; Y75-S78 PolarHBondContact O-N 3.15Å; Y75-L79 PolarHBondContact O-N 3.19Å
76	L	39.3	Very low	41.4	Very low	117 Å²	117	89.9 Å²	89.9	61%	0.613	49%	0.493	S	S	*	.	H	α-helix	trans	-59.8	-24.7	178.2	-70.3	169.6	0	0	0	112.9	L79	L76-L79 HydrophobicContact CD2-CD1 4.08Å
77	K	39	Very low	41.5	Very low	182 Å²	182	88.3 Å²	88.3	79%	0.791	49%	0.492	S	S	*	.	H	α-helix	trans	-79.7	-15.2	175.1	-71.8	176.9	177.6	170.4	0	114.2	Y75	Y75-K77 PolarHBondContact O-N 3.31Å; Y75-K77 VanDerWaalsContact O-N 3.12Å
78	S	43.1	Very low	41.7	Very low	33 Å²	33	83.6 Å²	83.6	23%	0.231	47%	0.467	C	S	.	.	H	α-helix	trans	-86.9	-29.7	171.8	-57.3	0	0	0	0	111.8	Y75 V80 V81 H82	Y75-S78 PolarHBondContact O-N 3.15Å; S78-V80 PolarHBondContact O-N 3.27Å; S78-V81 WeakPolarHBondContact O-CB 3.24Å; S78-V81 PolarHBondContact O-N 3.17Å; S78-H82 PolarHBondContact O-CD2 3.28Å; S78-H82 PolarHBondContact O-N 2.91Å
79	L	43.1	Very low	41.6	Very low	54 Å²	54	84.4 Å²	84.4	28%	0.283	47%	0.473	S	S	.	.	H	α-helix	trans	-58.1	-45.4	177.2	-86.5	156.1	0	0	0	112.3	F62 Y75 L76 V81 H82 D83	F62-L79 HydrophobicContact CE1-CD2 4.48Å; Y75-L79 PolarHBondContact O-N 3.19Å; L76-L79 HydrophobicContact CD2-CD1 4.08Å; L79-V81 PolarHBondContact O-N 3.27Å; L79-H82 WeakPolarHBondContact O-CA 3.28Å; L79-H82 WeakPolarHBondContact O-CB 3.44Å; L79-H82 PolarHBondContact O-N 3.19Å; L79-D83 PolarHBondContact O-N 3Å
80	V	43.2	Very low	41.7	Very low	74 Å²	74	88.2 Å²	88.2	45%	0.448	49%	0.488	S	S	.	.	H	α-helix	trans	-57.4	-33.3	174.9	-177.2	0	0	0	0	112.4	S78 N84	S78-V80 PolarHBondContact O-N 3.27Å; V80-N84 PolarHBondContact O-N 3.36Å; V80-N84 PolarHBondContact O-ND2 3.09Å
81	V	45	Very low	41.6	Very low	17 Å²	17	92.8 Å²	92.8	10%	0.103	49%	0.492	C	S	.	.	H	α-helix	trans	-75.1	-33.5	175.9	-175.5	0	0	0	0	111.2	S78 L79 L85 I105	S78-V81 WeakPolarHBondContact O-CB 3.24Å; S78-V81 PolarHBondContact O-N 3.17Å; L79-V81 PolarHBondContact O-N 3.27Å; V81-L85 HydrophobicContact CG1-CD1 4.27Å; V81-L85 WeakPolarHBondContact O-CG 3.35Å; V81-L85 PolarHBondContact O-N 3.23Å; V81-L85 VanDerWaalsContact O-N 3.14Å; V81-I105 HydrophobicContact CG1-CD1 3.99Å
82	H	43.5	Very low	41.7	Very low	26 Å²	26	94.4 Å²	94.4	12%	0.12	49%	0.485	C	S	.	.	H	α-helix	trans	-70.8	-40.9	175	-74.2	-65.8	0	0	0	113.1	S78 L79 N84 L85 I86	S78-H82 PolarHBondContact O-CD2 3.28Å; S78-H82 PolarHBondContact O-N 2.91Å; L79-H82 WeakPolarHBondContact O-CA 3.28Å; L79-H82 WeakPolarHBondContact O-CB 3.44Å; L79-H82 PolarHBondContact O-N 3.19Å; H82-N84 VanDerWaalsContact C-N 3.28Å; H82-N84 PolarHBondContact O-N 3.46Å; H82-L85 CarbonylContact O-C 3.59Å; H82-L85 WeakPolarHBondContact O-CA 3.24Å; H82-L85 WeakPolarHBondContact O-CB 3.45Å; H82-L85 PolarHBondContact O-N 3.46Å; H82-I86 WeakPolarHBondContact O-CG1 3.27Å; H82-I86 PolarHBondContact O-N 2.81Å
83	D	43.7	Very low	42.1	Very low	83 Å²	83	93 Å²	93	44%	0.444	48%	0.475	S	S	.	.	H	α-helix	trans	-63.7	-35.9	177.6	-65.2	-32.7	0	0	0	111.6	L79 I86 N87	L79-D83 PolarHBondContact O-N 3Å; D83-I86 PolarHBondContact O-N 3.46Å; D83-N87 PolarHBondContact O-N 3.24Å; D83-N87 PolarHBondContact O-ND2 3.34Å
84	N	40.6	Very low	42.6	Very low	83 Å²	83	91.4 Å²	91.4	44%	0.444	46%	0.463	S	S	.	.	H	α-helix	trans	-66.4	-39	170.7	-79.2	-77.9	0	0	0	112.3	V80 H82 I86 N87 L88 L135	V80-N84 PolarHBondContact O-N 3.36Å; V80-N84 PolarHBondContact O-ND2 3.09Å; H82-N84 VanDerWaalsContact C-N 3.28Å; H82-N84 PolarHBondContact O-N 3.46Å; N84-I86 VanDerWaalsContact C-N 3.3Å; N84-I86 PolarHBondContact O-N 3.47Å; N84-N87 PolarHBondContact O-N 3.04Å; N84-L88 WeakPolarHBondContact O-CD1 3.47Å; N84-L135 HydrophobicContact CB-CD2 3.85Å
85	L	46.6	Very low	43	Very low	6 Å²	6	88 Å²	88	3%	0.031	46%	0.457	C	S	.	.	H	α-helix	trans	-69.2	-22.2	176.1	-81.1	163	0	0	0	114.3	V81 H82 F98 I101 I105 L135	V81-L85 HydrophobicContact CG1-CD1 4.27Å; V81-L85 WeakPolarHBondContact O-CG 3.35Å; V81-L85 PolarHBondContact O-N 3.23Å; V81-L85 VanDerWaalsContact O-N 3.14Å; H82-L85 CarbonylContact O-C 3.59Å; H82-L85 WeakPolarHBondContact O-CA 3.24Å; H82-L85 WeakPolarHBondContact O-CB 3.45Å; H82-L85 PolarHBondContact O-N 3.46Å; L85-F98 HydrophobicContact CD2-CD2 4.34Å; L85-F98 HydrophobicContact CD2-CE2 4.05Å; L85-I101 HydrophobicContact CD1-CG2 3.94Å; L85-I101 HydrophobicContact CD2-CG2 4.26Å; L85-I105 HydrophobicContact CD1-CD1 3.82Å; L85-L135 HydrophobicContact CD2-CD1 3.9Å; L85-L135 HydrophobicContact CG-CD1 4.19Å
86	I	46.4	Very low	43.4	Very low	105 Å²	105	86.6 Å²	86.6	54%	0.538	46%	0.464	S	S	.	.	H	α-helix	trans	-79.3	-26.6	175.8	-70.3	163	0	0	0	111.5	H82 D83 N84 L88	H82-I86 WeakPolarHBondContact O-CG1 3.27Å; H82-I86 PolarHBondContact O-N 2.81Å; D83-I86 PolarHBondContact O-N 3.46Å; N84-I86 VanDerWaalsContact C-N 3.3Å; N84-I86 PolarHBondContact O-N 3.47Å; I86-L88 VanDerWaalsContact C-N 3.33Å; I86-L88 PolarHBondContact O-N 3.48Å
87	N	41.2	Very low	44.1	Very low	134 Å²	134	83.1 Å²	83.1	72%	0.717	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	17.7	-179.5	-70.9	-48.4	0	0	0	114.1	D83 N84	D83-N87 PolarHBondContact O-N 3.24Å; D83-N87 PolarHBondContact O-ND2 3.34Å; N84-N87 PolarHBondContact O-N 3.04Å
88	L	44.1	Very low	44.8	Very low	42 Å²	42	77.6 Å²	77.6	22%	0.22	42%	0.424	C	S	.	.	S	Bend	trans	-96.1	134.9	176.2	-101.4	78.8	0	0	0	111.9	N84 I86 H90 V93 L133	N84-L88 WeakPolarHBondContact O-CD1 3.47Å; I86-L88 VanDerWaalsContact C-N 3.33Å; I86-L88 PolarHBondContact O-N 3.48Å; L88-H90 PolarHBondContact O-N 2.81Å; L88-V93 HydrophobicContact CD2-CG2 4.01Å; L88-L133 HydrophobicContact CD2-CB 3.88Å; L88-L133 HydrophobicContact CD2-CD1 3.88Å; L88-L133 HydrophobicContact CD2-CD2 3.71Å; L88-L133 HydrophobicContact CD2-CG 4Å
89	D	36.9	Very low	45.4	Very low	136 Å²	136	85.4 Å²	85.4	73%	0.727	45%	0.448	S	S	*	.			trans	-60	108.8	173.5	-72.9	-47.2	0	0	0	111.1	E91 M92	D89-E91 PolarHBondContact O-N 3.24Å; D89-M92 PolarHBondContact O-N 2.83Å; D89-M92 VanDerWaalsContact O-N 3.14Å
90	H	45	Very low	46	Very low	140 Å²	140	84.5 Å²	84.5	65%	0.648	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-12.8	-172.6	-92.6	-70.4	0	0	0	114.7	L88	L88-H90 PolarHBondContact O-N 2.81Å
91	E	41.7	Very low	46.8	Very low	196 Å²	196	81 Å²	81	92%	0.916	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-21	176.5	-60.9	-162.4	127	0	0	113.8	D89	D89-E91 PolarHBondContact O-N 3.24Å
92	M	37.2	Very low	47.3	Very low	130 Å²	130	81.8 Å²	81.8	64%	0.64	43%	0.427	S	S	*	.	S	Bend	trans	-96.2	-6.1	-174	-75.4	-101.1	61.5	0	0	114.5	D89	D89-M92 PolarHBondContact O-N 2.83Å; D89-M92 VanDerWaalsContact O-N 3.14Å
93	V	47	Very low	47.9	Very low	25 Å²	25	84.3 Å²	84.3	15%	0.152	44%	0.441	C	S	.	.	S	Bend	trans	-114.9	112.9	-172.8	-170.7	0	0	0	0	111.6	L88 V97 F98 L133	L88-V93 HydrophobicContact CD2-CG2 4.01Å; V93-V97 HydrophobicContact CG1-CB 4.25Å; V93-V97 HydrophobicContact CG1-CG1 4.48Å; V93-F98 HydrophobicContact CG1-CB 4.48Å; V93-L133 HydrophobicContact CG1-CD1 4.17Å; V93-L133 HydrophobicContact CG1-CD2 4.25Å; V93-L133 HydrophobicContact CG2-CD2 3.71Å
94	S	47.1	Very low	48.7	Very low	70 Å²	70	81.2 Å²	81.2	49%	0.49	42%	0.424	S	S	.	.			trans	-57.2	130.3	173.1	172.3	0	0	0	0	111.1	A96 V97 F98	S94-A96 PolarHBondContact O-N 3.32Å; S94-V97 WeakPolarHBondContact O-CB 3.43Å; S94-V97 PolarHBondContact O-N 2.65Å; S94-F98 PolarHBondContact O-N 2.86Å
95	P	49.3	Very low	49.5	Very low	102 Å²	102	78.4 Å²	78.4	66%	0.662	41%	0.408	S	S	*	.	H	α-helix	trans	-56.1	-25.1	-177.7	-29.8	36.1	0	0	0	115.1	R99	P95-R99 WeakPolarHBondContact O-CB 3.23Å; P95-R99 VanDerWaalsContact O-CG 3.27Å; P95-R99 WeakPolarHBondContact O-CG 3.47Å; P95-R99 PolarHBondContact O-N 3.39Å
96	A	47.5	Very low	49.6	Very low	64 Å²	64	84.3 Å²	84.3	53%	0.529	43%	0.431	S	S	.	.	H	α-helix	trans	-64.2	-38.5	172.4	0	0	0	0	0	112.6	S94 R99 V100	S94-A96 PolarHBondContact O-N 3.32Å; A96-R99 PolarHBondContact O-N 2.98Å; A96-V100 WeakPolarHBondContact O-CG2 3.35Å; A96-V100 PolarHBondContact O-N 3.31Å; A96-V100 VanDerWaalsContact O-N 3.1Å
97	V	54.4	Low	50	Low	44 Å²	44	82.7 Å²	82.7	27%	0.267	43%	0.426	S	S	.	.	H	α-helix	trans	-68.3	-42.1	178.5	-176.6	0	0	0	0	110.4	V93 S94 V100 I101 A129 L133	V93-V97 HydrophobicContact CG1-CB 4.25Å; V93-V97 HydrophobicContact CG1-CG1 4.48Å; S94-V97 WeakPolarHBondContact O-CB 3.43Å; S94-V97 PolarHBondContact O-N 2.65Å; V97-V100 PolarHBondContact O-N 3.49Å; V97-I101 HydrophobicContact CG1-CD1 4.33Å; V97-I101 PolarHBondContact O-N 3.49Å; V97-I101 VanDerWaalsContact O-N 3.09Å; V97-A129 HydrophobicContact CG1-CB 3.58Å; V97-L133 HydrophobicContact CG1-CD1 4.45Å
98	F	54.3	Low	50.6	Low	65 Å²	65	78.2 Å²	78.2	29%	0.285	41%	0.411	S	S	.	.	H	α-helix	trans	-65.1	-42.5	176.7	-164.7	-104.6	0	0	0	112	L85 V93 S94 V100 I101 L102	L85-F98 HydrophobicContact CD2-CD2 4.34Å; L85-F98 HydrophobicContact CD2-CE2 4.05Å; V93-F98 HydrophobicContact CG1-CB 4.48Å; S94-F98 PolarHBondContact O-N 2.86Å; F98-V100 PolarHBondContact O-N 3.23Å; F98-I101 PolarHBondContact O-N 2.85Å; F98-L102 HydrophobicContact CD1-CD1 3.82Å; F98-L102 HydrophobicContact CD1-CG 4.24Å; F98-L102 HydrophobicContact CE1-CD1 3.52Å; F98-L102 HydrophobicContact CE1-CG 4.1Å; F98-L102 HydrophobicContact CZ-CD1 4.27Å; F98-L102 WeakPolarHBondContact O-CG 3.47Å; F98-L102 PolarHBondContact O-N 3.33Å
99	R	56	Low	50.8	Low	197 Å²	197	86.2 Å²	86.2	74%	0.743	44%	0.439	S	S	*	.	H	α-helix	trans	-54	-48.8	171.5	-79.9	-79.7	-174.8	155.8	0.2	112.1	P95 A96 I101 L102 D103	P95-R99 WeakPolarHBondContact O-CB 3.23Å; P95-R99 VanDerWaalsContact O-CG 3.27Å; P95-R99 WeakPolarHBondContact O-CG 3.47Å; P95-R99 PolarHBondContact O-N 3.39Å; A96-R99 PolarHBondContact O-N 2.98Å; R99-I101 PolarHBondContact O-N 3.42Å; R99-L102 PolarHBondContact O-N 3.27Å; R99-D103 WeakPolarHBondContact O-CB 3.18Å; R99-D103 PolarHBondContact O-N 2.81Å
100	V	56.1	Low	51.3	Low	35 Å²	35	81.2 Å²	81.2	21%	0.212	41%	0.412	C	S	.	.	H	α-helix	trans	-64.3	-37.7	-178.7	164.4	0	0	0	0	112.7	A96 V97 F98 Y104 P121 V126	A96-V100 WeakPolarHBondContact O-CG2 3.35Å; A96-V100 PolarHBondContact O-N 3.31Å; A96-V100 VanDerWaalsContact O-N 3.1Å; V97-V100 PolarHBondContact O-N 3.49Å; F98-V100 PolarHBondContact O-N 3.23Å; V100-Y104 PolarHBondContact O-N 3.24Å; V100-P121 HydrophobicContact CB-CB 4.28Å; V100-P121 HydrophobicContact CG1-CB 3.63Å; V100-P121 HydrophobicContact CG1-CG 4.44Å; V100-P121 HydrophobicContact CG2-CB 3.77Å; V100-P121 HydrophobicContact CG2-CG 4.34Å; V100-V126 HydrophobicContact CG1-CG2 3.7Å
101	I	58.4	Low	51.3	Low	0 Å²	0	77.2 Å²	77.2	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-70.4	-45.1	176.1	-70.1	170.6	0	0	0	111.2	L85 V97 F98 R99 Y104 I105 A129 L133 L135 L138	L85-I101 HydrophobicContact CD1-CG2 3.94Å; L85-I101 HydrophobicContact CD2-CG2 4.26Å; V97-I101 HydrophobicContact CG1-CD1 4.33Å; V97-I101 PolarHBondContact O-N 3.49Å; V97-I101 VanDerWaalsContact O-N 3.09Å; F98-I101 PolarHBondContact O-N 2.85Å; R99-I101 PolarHBondContact O-N 3.42Å; I101-Y104 PolarHBondContact O-N 3.02Å; I101-I105 HydrophobicContact CG2-CD1 3.72Å; I101-I105 VanDerWaalsContact O-CG1 3.31Å; I101-I105 WeakPolarHBondContact O-CG1 3.3Å; I101-I105 PolarHBondContact O-N 2.89Å; I101-I105 VanDerWaalsContact O-N 3.1Å; I101-A129 HydrophobicContact CD1-CB 4.04Å; I101-A129 HydrophobicContact CG1-CB 4.23Å; I101-L133 HydrophobicContact CD1-CD1 3.53Å; I101-L135 HydrophobicContact CD1-CD1 4.4Å; I101-L138 HydrophobicContact CG2-CD2 4Å
102	L	56.9	Low	51.6	Low	35 Å²	35	76 Å²	76	18%	0.183	39%	0.394	C	S	.	.	H	α-helix	trans	-63	-43.5	177.9	-71.6	-174.1	0	0	0	112.1	F98 R99 Y104 I105 Y106	F98-L102 HydrophobicContact CD1-CD1 3.82Å; F98-L102 HydrophobicContact CD1-CG 4.24Å; F98-L102 HydrophobicContact CE1-CD1 3.52Å; F98-L102 HydrophobicContact CE1-CG 4.1Å; F98-L102 HydrophobicContact CZ-CD1 4.27Å; F98-L102 WeakPolarHBondContact O-CG 3.47Å; F98-L102 PolarHBondContact O-N 3.33Å; R99-L102 PolarHBondContact O-N 3.27Å; L102-Y104 VanDerWaalsContact C-N 3.31Å; L102-Y104 PolarHBondContact O-N 2.88Å; L102-I105 PolarHBondContact O-N 2.86Å; L102-I105 VanDerWaalsContact O-N 3.1Å; L102-Y106 HydrophobicContact CB-CD2 4.28Å; L102-Y106 HydrophobicContact CB-CE2 4.4Å; L102-Y106 HydrophobicContact CD2-CE2 4.2Å; L102-Y106 VanDerWaalsContact O-CD2 3.25Å; L102-Y106 WeakPolarHBondContact O-CD2 3.34Å; L102-Y106 PolarHBondContact O-N 3.43Å
103	D	55.8	Low	51.7	Low	78 Å²	78	72 Å²	72	42%	0.417	39%	0.387	S	S	.	.	H	α-helix	trans	-59.7	-42.3	179.2	-170.3	60.4	0	0	0	111.6	R99 I105 Y106 T107	R99-D103 WeakPolarHBondContact O-CB 3.18Å; R99-D103 PolarHBondContact O-N 2.81Å; D103-I105 PolarHBondContact O-N 3.41Å; D103-Y106 PolarHBondContact O-N 3.5Å; D103-T107 WeakPolarHBondContact O-CB 3.49Å; D103-T107 WeakPolarHBondContact O-CG2 3.42Å; D103-T107 PolarHBondContact O-N 3.25Å; D103-T107 PolarHBondContact O-OG1 3.29Å
104	Y	59.6	Low	51.2	Low	19 Å²	19	76 Å²	76	8%	0.075	41%	0.407	C	S	.	.	H	α-helix	trans	-62.7	-39.5	173.1	179.5	-123.5	0	0	0	113.6	V100 I101 L102 G108 L110 V126 L138 K145	V100-Y104 PolarHBondContact O-N 3.24Å; I101-Y104 PolarHBondContact O-N 3.02Å; L102-Y104 VanDerWaalsContact C-N 3.31Å; L102-Y104 PolarHBondContact O-N 2.88Å; Y104-G108 WeakPolarHBondContact O-CA 3.37Å; Y104-G108 PolarHBondContact O-N 3.43Å; Y104-G108 VanDerWaalsContact O-N 3.07Å; Y104-L110 HydrophobicContact CD2-CD1 3.84Å; Y104-L110 HydrophobicContact CD2-CD2 3.72Å; Y104-L110 HydrophobicContact CD2-CG 3.5Å; Y104-L110 HydrophobicContact CE2-CD1 4Å; Y104-L110 HydrophobicContact CE2-CG 3.9Å; Y104-L110 HydrophobicContact CG-CD2 4.27Å; Y104-L110 HydrophobicContact CG-CG 4.4Å; Y104-V126 HydrophobicContact CD1-CG1 3.69Å; Y104-V126 HydrophobicContact CE1-CG1 4.23Å; Y104-V126 HydrophobicContact CG-CG1 4.02Å; Y104-L138 HydrophobicContact CD1-CD1 4.03Å; Y104-L138 HydrophobicContact CE1-CD1 3.82Å; Y104-K145 WeakPolarHBondContact OH-CD 3.39Å; Y104-K145 WeakPolarHBondContact OH-CE 3.21Å; Y104-K145 PolarHBondContact OH-NZ 3.5Å
105	I	58.5	Low	50.8	Low	23 Å²	23	78.9 Å²	78.9	12%	0.118	42%	0.424	C	S	.	.	H	α-helix	trans	-70.2	-40.5	-179.9	-69.4	167.7	0	0	0	111.4	V81 L85 I101 L102 D103	V81-I105 HydrophobicContact CG1-CD1 3.99Å; L85-I105 HydrophobicContact CD1-CD1 3.82Å; I101-I105 HydrophobicContact CG2-CD1 3.72Å; I101-I105 VanDerWaalsContact O-CG1 3.31Å; I101-I105 WeakPolarHBondContact O-CG1 3.3Å; I101-I105 PolarHBondContact O-N 2.89Å; I101-I105 VanDerWaalsContact O-N 3.1Å; L102-I105 PolarHBondContact O-N 2.86Å; L102-I105 VanDerWaalsContact O-N 3.1Å; D103-I105 PolarHBondContact O-N 3.41Å
106	Y	48.2	Very low	50.5	Low	130 Å²	130	79.7 Å²	79.7	51%	0.51	43%	0.427	S	S	.	.	H	α-helix	trans	-81.9	-37.8	-177.6	-76.6	-66.5	0	0	0	113.8	L102 D103	L102-Y106 HydrophobicContact CB-CD2 4.28Å; L102-Y106 HydrophobicContact CB-CE2 4.4Å; L102-Y106 HydrophobicContact CD2-CE2 4.2Å; L102-Y106 VanDerWaalsContact O-CD2 3.25Å; L102-Y106 WeakPolarHBondContact O-CD2 3.34Å; L102-Y106 PolarHBondContact O-N 3.43Å; D103-Y106 PolarHBondContact O-N 3.5Å
107	T	55.1	Low	50	Low	72 Å²	72	79.8 Å²	79.8	44%	0.442	42%	0.424	S	S	.	.	H	α-helix	trans	-84.9	-27.4	179.5	65.9	0	0	0	0	112.9	D103 R109	D103-T107 WeakPolarHBondContact O-CB 3.49Å; D103-T107 WeakPolarHBondContact O-CG2 3.42Å; D103-T107 PolarHBondContact O-N 3.25Å; D103-T107 PolarHBondContact O-OG1 3.29Å; T107-R109 PolarHBondContact O-N 3.41Å; T107-R109 PolarHBondContact OG1-N 2.86Å; T107-R109 PolarHBondContact OG1-O 2.96Å
108	G	53.3	Low	49.4	Very low	39 Å²	39	83.8 Å²	83.8	40%	0.402	45%	0.451	S	S	.	.			trans	65.6	-5.2	-172.9	0	0	0	0	0	115.2	Y104 K145	Y104-G108 WeakPolarHBondContact O-CA 3.37Å; Y104-G108 PolarHBondContact O-N 3.43Å; Y104-G108 VanDerWaalsContact O-N 3.07Å; G108-K145 PolarHBondContact O-NZ 2.97Å
109	R	48.2	Very low	48.9	Very low	211 Å²	211	86.1 Å²	86.1	80%	0.796	47%	0.47	S	S	*	.			trans	-120.7	124.7	-176.4	-64.2	-174.1	-176.6	-161	3.1	108.9	T107	T107-R109 PolarHBondContact O-N 3.41Å; T107-R109 PolarHBondContact OG1-N 2.86Å; T107-R109 PolarHBondContact OG1-O 2.96Å
110	L	48.2	Very low	48.3	Very low	31 Å²	31	81.9 Å²	81.9	16%	0.162	46%	0.459	C	S	.	.			trans	-95.7	139.8	153.4	-58.5	171.8	0	0	0	105.5	Y104 P121 L123 V126	Y104-L110 HydrophobicContact CD2-CD1 3.84Å; Y104-L110 HydrophobicContact CD2-CD2 3.72Å; Y104-L110 HydrophobicContact CD2-CG 3.5Å; Y104-L110 HydrophobicContact CE2-CD1 4Å; Y104-L110 HydrophobicContact CE2-CG 3.9Å; Y104-L110 HydrophobicContact CG-CD2 4.27Å; Y104-L110 HydrophobicContact CG-CG 4.4Å; L110-P121 HydrophobicContact CD2-CG 4.44Å; L110-L123 HydrophobicContact CD1-CB 3.73Å; L110-L123 HydrophobicContact CD1-CD1 3.69Å; L110-L123 HydrophobicContact CD1-CG 4.29Å; L110-V126 HydrophobicContact CD1-CB 4.2Å; L110-V126 HydrophobicContact CD1-CG2 3.7Å; L110-V126 HydrophobicContact CD2-CG2 4.04Å
111	S	44.5	Very low	48.1	Very low	55 Å²	55	81.6 Å²	81.6	39%	0.385	46%	0.458	S	S	.	.			trans	-63.4	139.3	167	63.3	0	0	0	0	108.4	G113 E120	S111-G113 PolarHBondContact O-N 2.87Å; S111-E120 WeakPolarHBondContact CB-OE2 3.19Å; S111-E120 PolarHBondContact OG-OE2 3.23Å
112	E	48.3	Very low	48.1	Very low	170 Å²	170	86.5 Å²	86.5	79%	0.794	48%	0.484	S	S	*	.			trans	-81.3	64.5	159.7	-69.3	-170.3	148.2	0	0	107	T149	E112-T149 WeakPolarHBondContact OE1-CG2 3.3Å
113	G	38.4	Very low	48.4	Very low	48 Å²	48	86.5 Å²	86.5	50%	0.495	48%	0.484	S	S	.	.			trans	-72.9	142.1	-175.6	0	0	0	0	0	112.6	S111	S111-G113 PolarHBondContact O-N 2.87Å
114	D	36.6	Very low	48.5	Very low	108 Å²	108	85 Å²	85	58%	0.578	49%	0.487	S	S	*	.			trans	-59.9	136.7	177.2	-175.8	79.3	0	0	0	111.4	T116 S117	D114-T116 PolarHBondContact O-N 2.83Å; D114-T116 WeakPolarHBondContact OD2-CB 3.22Å; D114-T116 VanDerWaalsContact OD2-CG2 3.28Å; D114-T116 WeakPolarHBondContact OD2-CG2 3.29Å; D114-T116 PolarHBondContact OD2-N 2.94Å; D114-T116 PolarHBondContact OD2-OG1 3.44Å; D114-S117 PolarHBondContact O-N 3.25Å
115	P	40.1	Very low	48.6	Very low	131 Å²	131	86.2 Å²	86.2	85%	0.851	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	16.3	-171	29.4	-37.5	0	0	0	115.5
116	T	41.5	Very low	48.8	Very low	118 Å²	118	85.1 Å²	85.1	72%	0.724	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-9.2	177.7	61.1	0	0	0	0	114.3	D114	D114-T116 PolarHBondContact O-N 2.83Å; D114-T116 WeakPolarHBondContact OD2-CB 3.22Å; D114-T116 VanDerWaalsContact OD2-CG2 3.28Å; D114-T116 WeakPolarHBondContact OD2-CG2 3.29Å; D114-T116 PolarHBondContact OD2-N 2.94Å; D114-T116 PolarHBondContact OD2-OG1 3.44Å
117	S	37.4	Very low	49.8	Very low	66 Å²	66	80.6 Å²	80.6	46%	0.462	48%	0.48	S	S	.	.			trans	-94.9	125.5	179.3	-175.1	0	0	0	0	113	D114 T119	D114-S117 PolarHBondContact O-N 3.25Å; S117-T119 VanDerWaalsContact C-N 3.32Å; S117-T119 PolarHBondContact O-N 3.09Å
118	P	41.3	Very low	50.2	Low	128 Å²	128	79.9 Å²	79.9	83%	0.831	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-3	-177.1	-18.6	32.9	0	0	0	116.9
119	T	44.9	Very low	50.6	Low	114 Å²	114	78.7 Å²	78.7	70%	0.699	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	4.1	-159.7	57.9	0	0	0	0	116.6	S117	S117-T119 VanDerWaalsContact C-N 3.32Å; S117-T119 PolarHBondContact O-N 3.09Å
120	E	43.8	Very low	51.4	Low	108 Å²	108	68.7 Å²	68.7	51%	0.505	43%	0.43	S	S	.	.	S	Bend	trans	-111.6	130.9	-179.4	-70.9	-84.7	120	0	0	111.3	S111 N122	S111-E120 WeakPolarHBondContact CB-OE2 3.19Å; S111-E120 PolarHBondContact OG-OE2 3.23Å; E120-N122 PolarHBondContact O-N 3.31Å
121	P	50.8	Low	52.4	Low	30 Å²	30	69.8 Å²	69.8	20%	0.195	44%	0.441	C	S	.	.			trans	-76.9	105	179.6	29.1	-32.4	0	0	0	112.2	V100 L110	V100-P121 HydrophobicContact CB-CB 4.28Å; V100-P121 HydrophobicContact CG1-CB 3.63Å; V100-P121 HydrophobicContact CG1-CG 4.44Å; V100-P121 HydrophobicContact CG2-CB 3.77Å; V100-P121 HydrophobicContact CG2-CG 4.34Å; L110-P121 HydrophobicContact CD2-CG 4.44Å
122	N	58	Low	53.4	Low	102 Å²	102	74.5 Å²	74.5	55%	0.545	45%	0.451	S	S	.	.			trans	-66.9	153.3	176	57.5	48.8	0	0	0	113	E120 G124 A125 V126	E120-N122 PolarHBondContact O-N 3.31Å; N122-G124 PolarHBondContact O-N 3.13Å; N122-A125 WeakPolarHBondContact O-CB 3.31Å; N122-A125 PolarHBondContact O-N 2.97Å; N122-A125 WeakPolarHBondContact OD1-CB 3.28Å; N122-A125 PolarHBondContact OD1-N 3.28Å; N122-V126 PolarHBondContact O-N 3.37Å
123	L	63.2	Low	54.1	Low	35 Å²	35	67.2 Å²	67.2	18%	0.183	42%	0.417	C	S	.	.	H	α-helix	trans	-58.8	-23.2	-179.5	179.9	60	0	0	0	113.3	L110 L127 C142 K145 L146	L110-L123 HydrophobicContact CD1-CB 3.73Å; L110-L123 HydrophobicContact CD1-CD1 3.69Å; L110-L123 HydrophobicContact CD1-CG 4.29Å; L123-L127 VanDerWaalsContact O-CB 3.29Å; L123-L127 WeakPolarHBondContact O-CB 3.38Å; L123-L127 PolarHBondContact O-N 3.07Å; L123-C142 HydrophobicContact CD1-CB 4.06Å; L123-K145 HydrophobicContact CD2-CB 4.45Å; L123-L146 HydrophobicContact CD2-CB 4.37Å; L123-L146 HydrophobicContact CD2-CD1 4.05Å
124	G	58.8	Low	55.4	Low	47 Å²	47	72.5 Å²	72.5	49%	0.485	43%	0.429	S	S	.	.	H	α-helix	trans	-65.4	-47.1	171.1	0	0	0	0	0	112.6	N122 L127 A128	N122-G124 PolarHBondContact O-N 3.13Å; G124-L127 PolarHBondContact O-N 3.41Å; G124-A128 WeakPolarHBondContact O-CB 3.31Å; G124-A128 PolarHBondContact O-N 2.89Å
125	A	60.8	Low	56.8	Low	44 Å²	44	67.9 Å²	67.9	36%	0.364	41%	0.405	S	S	.	.	H	α-helix	trans	-63.7	-41.9	175.8	0	0	0	0	0	112.1	N122 L127 A128 A129	N122-A125 WeakPolarHBondContact O-CB 3.31Å; N122-A125 PolarHBondContact O-N 2.97Å; N122-A125 WeakPolarHBondContact OD1-CB 3.28Å; N122-A125 PolarHBondContact OD1-N 3.28Å; A125-L127 VanDerWaalsContact C-N 3.35Å; A125-L127 PolarHBondContact O-N 2.83Å; A125-A128 PolarHBondContact O-N 2.77Å; A125-A129 VanDerWaalsContact O-CB 3.23Å; A125-A129 WeakPolarHBondContact O-CB 3.37Å; A125-A129 PolarHBondContact O-N 3.41Å
126	V	64.3	Low	58	Low	0 Å²	0	68.3 Å²	68.3	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-62.7	-41.4	175.1	-179.6	0	0	0	0	111.4	V100 Y104 L110 N122 A130	V100-V126 HydrophobicContact CG1-CG2 3.7Å; Y104-V126 HydrophobicContact CD1-CG1 3.69Å; Y104-V126 HydrophobicContact CE1-CG1 4.23Å; Y104-V126 HydrophobicContact CG-CG1 4.02Å; L110-V126 HydrophobicContact CD1-CB 4.2Å; L110-V126 HydrophobicContact CD1-CG2 3.7Å; L110-V126 HydrophobicContact CD2-CG2 4.04Å; N122-V126 PolarHBondContact O-N 3.37Å; V126-A130 VanDerWaalsContact O-CB 3.27Å; V126-A130 WeakPolarHBondContact O-CB 3.33Å; V126-A130 PolarHBondContact O-N 2.98Å
127	L	69.4	Low	58.9	Low	35 Å²	35	67.6 Å²	67.6	18%	0.183	39%	0.391	C	S	.	.	H	α-helix	trans	-66.1	-41.2	175.8	179.1	65.5	0	0	0	112.3	L123 G124 A125 S131 V139 C142 K143	L123-L127 VanDerWaalsContact O-CB 3.29Å; L123-L127 WeakPolarHBondContact O-CB 3.38Å; L123-L127 PolarHBondContact O-N 3.07Å; G124-L127 PolarHBondContact O-N 3.41Å; A125-L127 VanDerWaalsContact C-N 3.35Å; A125-L127 PolarHBondContact O-N 2.83Å; L127-S131 WeakPolarHBondContact O-CB 3.24Å; L127-S131 PolarHBondContact O-N 3.27Å; L127-S131 PolarHBondContact O-OG 2.8Å; L127-V139 HydrophobicContact CD1-CB 4.46Å; L127-V139 HydrophobicContact CD1-CG1 4.03Å; L127-C142 HydrophobicContact CB-CB 4.29Å; L127-C142 HydrophobicContact CD1-CB 3.79Å; L127-K143 HydrophobicContact CD1-CG 3.9Å; L127-K143 HydrophobicContact CD2-CG 4.44Å
128	A	62	Low	60.3	Low	58 Å²	58	64.8 Å²	64.8	48%	0.479	37%	0.37	S	S	.	.	H	α-helix	trans	-66.1	-45.8	177.7	0	0	0	0	0	111.3	G124 A125 S131 Y132	G124-A128 WeakPolarHBondContact O-CB 3.31Å; G124-A128 PolarHBondContact O-N 2.89Å; A125-A128 PolarHBondContact O-N 2.77Å; A128-S131 PolarHBondContact O-N 3.38Å; A128-Y132 WeakPolarHBondContact O-CB 3.41Å; A128-Y132 PolarHBondContact O-N 2.87Å
129	A	62	Low	61.5	Low	14 Å²	14	59.1 Å²	59.1	12%	0.116	33%	0.334	C	S	.	.	H	α-helix	trans	-57.9	-52	173.9	0	0	0	0	0	111.7	V97 I101 A125 S131 Y132 L133	V97-A129 HydrophobicContact CG1-CB 3.58Å; I101-A129 HydrophobicContact CD1-CB 4.04Å; I101-A129 HydrophobicContact CG1-CB 4.23Å; A125-A129 VanDerWaalsContact O-CB 3.23Å; A125-A129 WeakPolarHBondContact O-CB 3.37Å; A125-A129 PolarHBondContact O-N 3.41Å; A129-S131 PolarHBondContact O-N 2.91Å; A129-Y132 PolarHBondContact O-N 2.9Å; A129-L133 WeakPolarHBondContact O-CB 3.5Å; A129-L133 WeakPolarHBondContact O-CG 3.25Å; A129-L133 PolarHBondContact O-N 3.2Å
130	A	65	Low	62.6	Low	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-31.1	177.1	0	0	0	0	0	112.8	V126 Q134 L135 L138 V139	V126-A130 VanDerWaalsContact O-CB 3.27Å; V126-A130 WeakPolarHBondContact O-CB 3.33Å; V126-A130 PolarHBondContact O-N 2.98Å; A130-Q134 PolarHBondContact O-N 3.06Å; A130-L135 HydrophobicContact CB-CB 4.45Å; A130-L135 PolarHBondContact O-N 3.02Å; A130-L138 HydrophobicContact CB-CB 4.11Å; A130-L138 HydrophobicContact CB-CD2 3.77Å; A130-L138 HydrophobicContact CB-CG 3.8Å; A130-V139 HydrophobicContact CB-CG2 3.66Å; A130-V139 WeakPolarHBondContact O-CG2 3.41Å
131	S	70.3	Confident	63.6	Low	55 Å²	55	55.4 Å²	55.4	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-76.4	-38.6	176.8	-55.8	0	0	0	0	112.4	L127 A128 A129 Q134 V139	L127-S131 WeakPolarHBondContact O-CB 3.24Å; L127-S131 PolarHBondContact O-N 3.27Å; L127-S131 PolarHBondContact O-OG 2.8Å; A128-S131 PolarHBondContact O-N 3.38Å; A129-S131 PolarHBondContact O-N 2.91Å; S131-Q134 PolarHBondContact O-N 3.38Å; S131-V139 WeakPolarHBondContact OG-CG2 3.39Å
132	Y	64.1	Low	64.3	Low	154 Å²	154	54 Å²	54	60%	0.604	31%	0.31	S	S	*	.	H	α-helix	trans	-64.3	-41.5	174.8	-179.5	-107.1	0	0	0	111.4	A128 A129 Q134	A128-Y132 WeakPolarHBondContact O-CB 3.41Å; A128-Y132 PolarHBondContact O-N 2.87Å; A129-Y132 PolarHBondContact O-N 2.9Å; Y132-Q134 PolarHBondContact O-N 2.87Å
133	L	64.3	Low	64.8	Low	16 Å²	16	54.2 Å²	54.2	8%	0.084	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	9.4	176.3	-57.2	-169.8	0	0	0	113.9	L88 V93 V97 I101 A129 L135	L88-L133 HydrophobicContact CD2-CB 3.88Å; L88-L133 HydrophobicContact CD2-CD1 3.88Å; L88-L133 HydrophobicContact CD2-CD2 3.71Å; L88-L133 HydrophobicContact CD2-CG 4Å; V93-L133 HydrophobicContact CG1-CD1 4.17Å; V93-L133 HydrophobicContact CG1-CD2 4.25Å; V93-L133 HydrophobicContact CG2-CD2 3.71Å; V97-L133 HydrophobicContact CG1-CD1 4.45Å; I101-L133 HydrophobicContact CD1-CD1 3.53Å; A129-L133 WeakPolarHBondContact O-CB 3.5Å; A129-L133 WeakPolarHBondContact O-CG 3.25Å; A129-L133 PolarHBondContact O-N 3.2Å; L133-L135 HydrophobicContact CB-CD1 4.2Å; L133-L135 HydrophobicContact CB-CG 4.07Å; L133-L135 PolarHBondContact O-N 2.75Å
134	Q	64.1	Low	65.2	Low	159 Å²	159	58.5 Å²	58.5	74%	0.743	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	24.3	178.4	-53.2	-172.1	12.8	0	0	115.7	A130 S131 Y132 L136	A130-Q134 PolarHBondContact O-N 3.06Å; S131-Q134 PolarHBondContact O-N 3.38Å; Y132-Q134 PolarHBondContact O-N 2.87Å; Q134-L136 PolarHBondContact O-N 3.07Å
135	L	67.1	Low	65.4	Low	12 Å²	12	59.8 Å²	59.8	6%	0.063	32%	0.316	C	S	.	.			trans	-76.1	72.6	-180	-62.3	175	0	0	0	110.5	N84 L85 I101 A130 L133 D137 L138 V139	N84-L135 HydrophobicContact CB-CD2 3.85Å; L85-L135 HydrophobicContact CD2-CD1 3.9Å; L85-L135 HydrophobicContact CG-CD1 4.19Å; I101-L135 HydrophobicContact CD1-CD1 4.4Å; A130-L135 HydrophobicContact CB-CB 4.45Å; A130-L135 PolarHBondContact O-N 3.02Å; L133-L135 HydrophobicContact CB-CD1 4.2Å; L133-L135 HydrophobicContact CB-CG 4.07Å; L133-L135 PolarHBondContact O-N 2.75Å; L135-D137 VanDerWaalsContact C-N 3.31Å; L135-D137 PolarHBondContact O-N 3.3Å; L135-L138 HydrophobicContact CB-CB 3.91Å; L135-L138 HydrophobicContact CB-CD2 4.46Å; L135-L138 HydrophobicContact CD1-CD2 3.94Å; L135-L138 WeakPolarHBondContact O-CA 3.13Å; L135-L138 WeakPolarHBondContact O-CB 3.37Å; L135-L138 PolarHBondContact O-N 3.11Å; L135-V139 WeakPolarHBondContact O-CG2 3.37Å; L135-V139 PolarHBondContact O-N 3.15Å
136	L	64.4	Low	65.6	Low	139 Å²	139	61.8 Å²	61.8	73%	0.728	32%	0.32	S	S	*	.	H	α-helix	trans	-52.3	-41.3	-169.5	-71.3	171	0	0	0	113.8	Q134 V139 A140	Q134-L136 PolarHBondContact O-N 3.07Å; L136-V139 WeakPolarHBondContact O-CB 3.39Å; L136-V139 PolarHBondContact O-N 3.45Å; L136-A140 VanDerWaalsContact O-CB 3.31Å; L136-A140 WeakPolarHBondContact O-CB 3.31Å; L136-A140 PolarHBondContact O-N 3.48Å
137	D	61.8	Low	65.4	Low	104 Å²	104	71.2 Å²	71.2	56%	0.556	36%	0.356	S	S	*	.	H	α-helix	trans	-66.5	-40	175.8	-80.7	-45.5	0	0	0	113.1	L135 A140 L141	L135-D137 VanDerWaalsContact C-N 3.31Å; L135-D137 PolarHBondContact O-N 3.3Å; D137-A140 PolarHBondContact O-N 3.14Å; D137-L141 WeakPolarHBondContact O-CB 3.34Å; D137-L141 WeakPolarHBondContact O-CG 3.33Å; D137-L141 PolarHBondContact O-N 2.92Å
138	L	65.2	Low	64.8	Low	6 Å²	6	76.3 Å²	76.3	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-68.8	-38.9	176.8	-174	60.3	0	0	0	110.6	I101 Y104 A130 L135 L141 C142	I101-L138 HydrophobicContact CG2-CD2 4Å; Y104-L138 HydrophobicContact CD1-CD1 4.03Å; Y104-L138 HydrophobicContact CE1-CD1 3.82Å; A130-L138 HydrophobicContact CB-CB 4.11Å; A130-L138 HydrophobicContact CB-CD2 3.77Å; A130-L138 HydrophobicContact CB-CG 3.8Å; L135-L138 HydrophobicContact CB-CB 3.91Å; L135-L138 HydrophobicContact CB-CD2 4.46Å; L135-L138 HydrophobicContact CD1-CD2 3.94Å; L135-L138 WeakPolarHBondContact O-CA 3.13Å; L135-L138 WeakPolarHBondContact O-CB 3.37Å; L135-L138 PolarHBondContact O-N 3.11Å; L138-L141 PolarHBondContact O-N 3.38Å; L138-C142 WeakPolarHBondContact O-CB 3.5Å; L138-C142 PolarHBondContact O-N 3.03Å; L138-C142 PolarHBondContact O-SG 3.45Å
139	V	67.2	Low	64.3	Low	10 Å²	10	76.5 Å²	76.5	6%	0.061	37%	0.367	C	S	.	.	H	α-helix	trans	-61.3	-44.1	171	171	0	0	0	0	111.1	L127 A130 S131 L135 L136 C142 K143	L127-V139 HydrophobicContact CD1-CB 4.46Å; L127-V139 HydrophobicContact CD1-CG1 4.03Å; A130-V139 HydrophobicContact CB-CG2 3.66Å; A130-V139 WeakPolarHBondContact O-CG2 3.41Å; S131-V139 WeakPolarHBondContact OG-CG2 3.39Å; L135-V139 WeakPolarHBondContact O-CG2 3.37Å; L135-V139 PolarHBondContact O-N 3.15Å; L136-V139 WeakPolarHBondContact O-CB 3.39Å; L136-V139 PolarHBondContact O-N 3.45Å; V139-C142 PolarHBondContact O-N 2.91Å; V139-K143 HydrophobicContact CG1-CD 3.83Å; V139-K143 VanDerWaalsContact CG1-CE 3.47Å; V139-K143 VanDerWaalsContact CG1-NZ 3.25Å; V139-K143 WeakPolarHBondContact O-CB 3.38Å; V139-K143 VanDerWaalsContact O-CG 3.27Å; V139-K143 WeakPolarHBondContact O-CG 3.38Å; V139-K143 PolarHBondContact O-N 2.85Å
140	A	68.4	Low	63.7	Low	51 Å²	51	80 Å²	80	42%	0.421	40%	0.396	S	S	.	.	H	α-helix	trans	-65.4	-43.6	176.6	0	0	0	0	0	111.6	L136 D137 K143 K144	L136-A140 VanDerWaalsContact O-CB 3.31Å; L136-A140 WeakPolarHBondContact O-CB 3.31Å; L136-A140 PolarHBondContact O-N 3.48Å; D137-A140 PolarHBondContact O-N 3.14Å; A140-K143 PolarHBondContact O-N 2.8Å; A140-K144 WeakPolarHBondContact O-CB 3.15Å; A140-K144 PolarHBondContact O-N 3.26Å
141	L	65	Low	62.5	Low	93 Å²	93	88.2 Å²	88.2	49%	0.487	43%	0.432	S	S	.	.	H	α-helix	trans	-61.2	-45	174.7	-79.5	165.4	0	0	0	112.1	D137 L138 K144 K145	D137-L141 WeakPolarHBondContact O-CB 3.34Å; D137-L141 WeakPolarHBondContact O-CG 3.33Å; D137-L141 PolarHBondContact O-N 2.92Å; L138-L141 PolarHBondContact O-N 3.38Å; L141-K144 CarbonylContact O-C 3.28Å; L141-K144 PolarHBondContact O-N 3.36Å; L141-K145 PolarHBondContact O-N 3.25Å
142	C	64.3	Low	60.6	Low	0 Å²	0	95 Å²	95	0%	0	45%	0.451	C	S	.	.	H	α-helix	trans	-65.6	-46.9	177.4	-67.6	0	0	0	0	111.4	L123 L127 L138 V139 K144 K145 L146	L123-C142 HydrophobicContact CD1-CB 4.06Å; L127-C142 HydrophobicContact CB-CB 4.29Å; L127-C142 HydrophobicContact CD1-CB 3.79Å; L138-C142 WeakPolarHBondContact O-CB 3.5Å; L138-C142 PolarHBondContact O-N 3.03Å; L138-C142 PolarHBondContact O-SG 3.45Å; V139-C142 PolarHBondContact O-N 2.91Å; C142-K144 PolarHBondContact O-N 2.83Å; C142-K145 PolarHBondContact O-N 3.29Å; C142-L146 WeakPolarHBondContact O-CB 3.48Å; C142-L146 PolarHBondContact O-N 2.89Å
143	K	70.3	Confident	59.2	Low	106 Å²	106	93 Å²	93	46%	0.461	46%	0.457	S	S	.	.	H	α-helix	trans	-58.1	-33.9	171.6	-73.3	168.9	-179.3	168.6	0	111.9	L127 V139 A140 R147	L127-K143 HydrophobicContact CD1-CG 3.9Å; L127-K143 HydrophobicContact CD2-CG 4.44Å; V139-K143 HydrophobicContact CG1-CD 3.83Å; V139-K143 VanDerWaalsContact CG1-CE 3.47Å; V139-K143 VanDerWaalsContact CG1-NZ 3.25Å; V139-K143 WeakPolarHBondContact O-CB 3.38Å; V139-K143 VanDerWaalsContact O-CG 3.27Å; V139-K143 WeakPolarHBondContact O-CG 3.38Å; V139-K143 PolarHBondContact O-N 2.85Å; A140-K143 PolarHBondContact O-N 2.8Å; K143-R147 WeakPolarHBondContact O-CB 3.4Å; K143-R147 WeakPolarHBondContact O-CG 3.35Å; K143-R147 PolarHBondContact O-N 2.82Å
144	K	69.9	Low	57.9	Low	126 Å²	126	98 Å²	98	55%	0.548	49%	0.49	S	S	.	.	H	α-helix	trans	-80.6	-22.8	178.4	-164.3	175.6	-171.4	171.2	0	113.9	A140 L141 C142 R148	A140-K144 WeakPolarHBondContact O-CB 3.15Å; A140-K144 PolarHBondContact O-N 3.26Å; L141-K144 CarbonylContact O-C 3.28Å; L141-K144 PolarHBondContact O-N 3.36Å; C142-K144 PolarHBondContact O-N 2.83Å; K144-R148 VanDerWaalsContact O-CG 3.32Å; K144-R148 WeakPolarHBondContact O-CG 3.26Å
145	K	63.4	Low	56.2	Low	74 Å²	74	101.7 Å²	101.7	32%	0.322	50%	0.497	S	S	.	.	H	α-helix	trans	-74.7	-47.7	163.4	-91.3	-166.1	-177.7	168.9	0	110.6	Y104 G108 L123 L141 C142 R147 R148 T149	Y104-K145 WeakPolarHBondContact OH-CD 3.39Å; Y104-K145 WeakPolarHBondContact OH-CE 3.21Å; Y104-K145 PolarHBondContact OH-NZ 3.5Å; G108-K145 PolarHBondContact O-NZ 2.97Å; L123-K145 HydrophobicContact CD2-CB 4.45Å; L141-K145 PolarHBondContact O-N 3.25Å; C142-K145 PolarHBondContact O-N 3.29Å; K145-R147 VanDerWaalsContact C-N 3.31Å; K145-R147 PolarHBondContact O-N 3.06Å; K145-R148 WeakPolarHBondContact O-CA 3.02Å; K145-R148 WeakPolarHBondContact O-CB 3.25Å; K145-R148 PolarHBondContact O-N 2.84Å; K145-T149 PolarHBondContact O-N 2.98Å
146	L	64.7	Low	54.6	Low	85 Å²	85	107 Å²	107	45%	0.445	53%	0.532	S	S	.	.	H	α-helix	trans	-59.2	-39.1	179.4	-164.6	71.1	0	0	0	112.4	L123 C142 R148 T149 A150	L123-L146 HydrophobicContact CD2-CB 4.37Å; L123-L146 HydrophobicContact CD2-CD1 4.05Å; C142-L146 WeakPolarHBondContact O-CB 3.48Å; C142-L146 PolarHBondContact O-N 2.89Å; L146-R148 PolarHBondContact O-N 3.28Å; L146-T149 PolarHBondContact O-OG1 2.73Å; L146-A150 WeakPolarHBondContact O-CB 3.35Å; L146-A150 PolarHBondContact O-N 2.72Å
147	R	59.9	Low	53	Low	199 Å²	199	104.4 Å²	104.4	75%	0.751	53%	0.531	S	S	*	.	H	α-helix	trans	-73.2	-5.9	172.3	-74.3	-177.6	176	-158.2	-0.1	115.1	K143 K145 K151	K143-R147 WeakPolarHBondContact O-CB 3.4Å; K143-R147 WeakPolarHBondContact O-CG 3.35Å; K143-R147 PolarHBondContact O-N 2.82Å; K145-R147 VanDerWaalsContact C-N 3.31Å; K145-R147 PolarHBondContact O-N 3.06Å; R147-K151 WeakPolarHBondContact O-CG 3.38Å
148	R	57.1	Low	51.5	Low	142 Å²	142	108.3 Å²	108.3	54%	0.536	54%	0.543	S	S	.	.	H	α-helix	trans	-97.7	-43.2	171.2	-75.8	174.6	178.9	133.3	-18.2	111.5	K144 K145 L146 A150 K151	K144-R148 VanDerWaalsContact O-CG 3.32Å; K144-R148 WeakPolarHBondContact O-CG 3.26Å; K145-R148 WeakPolarHBondContact O-CA 3.02Å; K145-R148 WeakPolarHBondContact O-CB 3.25Å; K145-R148 PolarHBondContact O-N 2.84Å; L146-R148 PolarHBondContact O-N 3.28Å; R148-A150 VanDerWaalsContact C-N 3.35Å; R148-K151 WeakPolarHBondContact O-CB 3.16Å; R148-K151 PolarHBondContact O-N 3.22Å
149	T	51.9	Low	49.8	Very low	61 Å²	61	115.1 Å²	115.1	37%	0.374	58%	0.579	S	S	.	*	H	α-helix	trans	-62.2	-44.8	173.6	54.7	0	0	0	0	110.1	E112 K145 L146 K151 Y152	E112-T149 WeakPolarHBondContact OE1-CG2 3.3Å; K145-T149 PolarHBondContact O-N 2.98Å; L146-T149 PolarHBondContact O-OG1 2.73Å; T149-K151 PolarHBondContact O-N 2.91Å; T149-Y152 PolarHBondContact O-N 3.11Å; T149-Y152 VanDerWaalsContact O-N 3.12Å
150	A	49	Very low	48.4	Very low	88 Å²	88	120 Å²	120	73%	0.727	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-0	171.6	0	0	0	0	0	115.8	L146 R148	L146-A150 WeakPolarHBondContact O-CB 3.35Å; L146-A150 PolarHBondContact O-N 2.72Å; R148-A150 VanDerWaalsContact C-N 3.35Å
151	K	40.3	Very low	46.3	Very low	173 Å²	173	127.3 Å²	127.3	75%	0.752	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-8.1	173.9	-90.1	-169.1	171.1	-165.7	0	114.4	R147 R148 T149	R147-K151 WeakPolarHBondContact O-CG 3.38Å; R148-K151 WeakPolarHBondContact O-CB 3.16Å; R148-K151 PolarHBondContact O-N 3.22Å; T149-K151 PolarHBondContact O-N 2.91Å
152	Y	30.4	Very low	45.2	Very low	196 Å²	196	127.8 Å²	127.8	77%	0.769	64%	0.638	S	S	*	*	S	Bend	trans	-112.5	102.1	168.8	-75	-85.7	0	0	0	108.4	T149	T149-Y152 PolarHBondContact O-N 3.11Å; T149-Y152 VanDerWaalsContact O-N 3.12Å
153	P	35.1	Very low	43.6	Very low	113 Å²	113	135.8 Å²	135.8	73%	0.734	67%	0.673	S	S	*	*			trans	-63.6	136.8	173	27.6	-33.2	0	0	0	109.2	R155	P153-R155 PolarHBondContact O-N 3.22Å
154	P	36.4	Very low	41.6	Very low	120 Å²	120	138.7 Å²	138.7	78%	0.779	69%	0.69	S	S	*	*			trans	-61.1	128.9	172.5	26.3	-33.4	0	0	0	108.8	P156	P154-P156 WeakPolarHBondContact O-CD 3.46Å
155	R	28.9	Very low	39.5	Very low	238 Å²	238	139 Å²	139	90%	0.898	70%	0.702	S	S	*	*			trans	-64.4	109.4	-177.9	179.7	-170.5	-173.9	-153.3	4.9	109.9	P153	P153-R155 PolarHBondContact O-N 3.22Å
156	P	32.9	Very low	39	Very low	123 Å²	123	140.3 Å²	140.3	80%	0.799	72%	0.718	S	S	*	*			trans	-77.4	130.1	176.7	31.7	-29.8	0	0	0	109.3	P154	P154-P156 WeakPolarHBondContact O-CD 3.46Å
157	A	31.4	Very low	37.2	Very low	84 Å²	84	143.3 Å²	143.3	69%	0.694	74%	0.735	S	S	*	*			trans	-90	128.8	168.6	0	0	0	0	0	109.5
158	F	29.6	Very low	35.8	Very low	186 Å²	186	137.9 Å²	137.9	82%	0.816	73%	0.727	S	S	*	*			trans	35.3	120.9	145.8	-67.1	-98.7	0	0	0	117.9
159	L	29.2	Very low	34.6	Very low	149 Å²	149	140.4 Å²	140.4	78%	0.78	75%	0.747	S	S	*	*			cis	-171.3	-178.7	16.3	-88.9	166.2	0	0	0	107.6
160	P	37.5	Very low	33.6	Very low	114 Å²	114	141 Å²	141	74%	0.74	77%	0.765	S	S	*	*			cis	-128.2	-178.6	-35.5	35.3	-17.7	0	0	0	113.9
161	Y	24.9	Very low	32.8	Very low	204 Å²	204	145.6 Å²	145.6	80%	0.8	78%	0.776	S	S	*	*			trans	-57.3	162.9	170.5	-97.5	-108.4	0	0	0	114.6
162	P	42.7	Very low	32.3	Very low	103 Å²	103	141.1 Å²	141.1	67%	0.669	78%	0.779	S	S	*	*				-154.7	139.4	53.9	38.8	-15.7	0	0	0	122.5
163	K	29.3	Very low	32.4	Very low	168 Å²	168	138 Å²	138	73%	0.73	79%	0.786	S	S	*	*			trans	67.3	147	136.7	-57.6	170.2	-173.1	176.4	0	117
164	M	28.2	Very low	32.1	Very low	166 Å²	166	136.8 Å²	136.8	82%	0.818	80%	0.795	S	S	*	*			cis	-142.5	164.7	37.4	-80.7	-70.1	179.9	0	0	114.8
165	V	26.9	Very low	31.7	Very low	133 Å²	133	135 Å²	135	81%	0.806	80%	0.798	S	S	*	*			trans	-158.9	158.7	-178.1	172	0	0	0	0	106.3
166	P	51.8	Low	31.8	Very low	102 Å²	102	134.3 Å²	134.3	66%	0.662	80%	0.795	S	S	*	*			cis	-125	-177.1	-6.8	26.3	-3.3	0	0	0	114.4
167	N	27.5	Very low	31.5	Very low	148 Å²	148	137 Å²	137	79%	0.791	80%	0.795	S	S	*	*				160.1	158.4	126	-84.9	-7.7	0	0	0	112.2
168	S	30.7	Very low	31.3	Very low	85 Å²	85	144 Å²	144	59%	0.594	80%	0.803	S	S	*	*			cis	-177	145.1	-31.5	56.5	0	0	0	0	109.8
169	M	33	Very low	31.3	Very low	195 Å²	195	141.7 Å²	141.7	96%	0.961	80%	0.804	S	S	*	*			trans	67	161.4	173.3	-49.1	-174.4	-175.6	0	0	115.4
170	G	29.4	Very low	31.1	Very low	72 Å²	72	140.3 Å²	140.3	74%	0.742	81%	0.806	S	S	*	*			cis	-162	-176.8	1.4	0	0	0	0	0	113
171	L	33	Very low	30.6	Very low	185 Å²	185	140.8 Å²	140.8	97%	0.969	81%	0.807	S	S	*	*			trans	-79.5	155.2	-174.6	-74.4	70.4	0	0	0	113.4
172	G	29	Very low	30.9	Very low	79 Å²	79	137 Å²	137	81%	0.814	81%	0.808	S	S	*	*			trans	-177.3	123.5	164.3	0	0	0	0	0	113.2
173	S	33.5	Very low	30.1	Very low	131 Å²	131	137.9 Å²	137.9	92%	0.916	81%	0.811	S	S	*	*			trans	-113	139.1	-175.6	-66.7	0	0	0	0	113.2
174	G	29.1	Very low	30	Very low	88 Å²	88	137.8 Å²	137.8	91%	0.907	82%	0.817	S	S	*	*			trans	92	109.8	149.6	0	0	0	0	0	117.7
175	G	27.4	Very low	29.9	Very low	82 Å²	82	138.5 Å²	138.5	85%	0.845	82%	0.818	S	S	*	*			trans	-168.4	137	167	0	0	0	0	0	110.7
176	R	30.9	Very low	30	Very low	224 Å²	224	137.3 Å²	137.3	85%	0.845	82%	0.816	S	S	*	*			trans	-102.1	143.8	-179.3	-60.4	175.3	-180	170.1	-1.1	110.2
177	F	26.4	Very low	28.8	Very low	179 Å²	179	138.4 Å²	138.4	79%	0.785	83%	0.825	S	S	*	*				166.7	145.2	110.9	-95.6	-67.3	0	0	0	114.8
178	R	27.6	Very low	29.4	Very low	232 Å²	232	136.9 Å²	136.9	88%	0.875	82%	0.822	S	S	*	*			trans	60	134.8	153.1	-75.2	177.3	178.9	179.5	-0.8	121.2
179	V	29.5	Very low	30	Very low	136 Å²	136	139.1 Å²	139.1	82%	0.824	84%	0.835	S	S	*	*			trans	-79.1	144.2	164.8	175	0	0	0	0	110
180	S	25.6	Very low	29.8	Very low	120 Å²	120	133.8 Å²	133.8	84%	0.839	83%	0.83	S	S	*	*			trans	-160.4	138.8	146.4	-98.2	0	0	0	0	110.4
181	T	25.9	Very low	29.8	Very low	124 Å²	124	134 Å²	134	76%	0.761	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-83.5	145.4	170.5	41.6	0	0	0	0	111.7
182	P	31.7	Very low	29.6	Very low	124 Å²	124	133.3 Å²	133.3	81%	0.805	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-84.7	135.9	163.5	33.1	-30.7	0	0	0	111.5
183	V	25.8	Very low	29.6	Very low	122 Å²	122	136.5 Å²	136.5	74%	0.739	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-82.9	150.8	170.5	171.8	0	0	0	0	109.7	Q185	V183-Q185 HydrophobicContact CG1-CB 4.46Å
184	I	28	Very low	29.3	Very low	166 Å²	166	137.5 Å²	137.5	85%	0.851	82%	0.821	S	S	*	*			trans	-108.3	124.1	164.7	-60.3	177.5	0	0	0	108.3
185	Q	25.5	Very low	29.4	Very low	182 Å²	182	139.4 Å²	139.4	85%	0.85	82%	0.815	S	S	*	*			trans	-143.5	148.6	175.1	-167.1	171.7	4.9	0	0	110.1	V183	V183-Q185 HydrophobicContact CG1-CB 4.46Å
186	S	28.7	Very low	29.9	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	81%	0.812	S	S	*	*			trans	-107.2	156.8	-160.4	-42.3	0	0	0	0	114.5
187	C	27.7	Very low	29.6	Very low	125 Å²	125	141.8 Å²	141.8	85%	0.845	81%	0.814	S	S	*	*			trans	-173.3	167.8	162.5	-107.8	0	0	0	0	109.9
188	P	39.1	Very low	29.7	Very low	115 Å²	115	137.5 Å²	137.5	75%	0.747	81%	0.811	S	S	*	*			cis	-130.6	-178.2	-49.6	35.9	-17.4	0	0	0	112
189	P	44.1	Very low	30.1	Very low	133 Å²	133	132.4 Å²	132.4	86%	0.864	81%	0.809	S	S	*	*			trans	-105	171.3	-170.1	39.8	-35.2	0	0	0	116.1
190	G	28.9	Very low	30.3	Very low	82 Å²	82	131.1 Å²	131.1	85%	0.845	81%	0.806	S	S	*	*			trans	-176	150	166	0	0	0	0	0	112.7
191	G	27.6	Very low	30.4	Very low	77 Å²	77	133.2 Å²	133.2	79%	0.794	81%	0.807	S	S	*	*			trans	-166.3	163.8	-179.2	0	0	0	0	0	114
192	I	28.8	Very low	30.4	Very low	171 Å²	171	133.8 Å²	133.8	88%	0.877	81%	0.805	S	S	*	*			trans	-139.8	150	-179.5	-62	-177.3	0	0	0	109.8
193	L	29.9	Very low	30.2	Very low	145 Å²	145	135.9 Å²	135.9	76%	0.759	80%	0.804	S	S	*	*			trans	-81.2	150.4	-174.2	-60.8	74.8	0	0	0	113.5
194	N	28.1	Very low	30.2	Very low	153 Å²	153	138.1 Å²	138.1	82%	0.818	81%	0.811	S	S	*	*				179.2	163.5	102.1	-91.5	-45.2	0	0	0	113.4
195	T	30.2	Very low	30.4	Very low	127 Å²	127	135.8 Å²	135.8	78%	0.779	80%	0.804	S	S	*	*			trans	-117.2	165.7	178.5	68.8	0	0	0	0	110.6
196	P	38.1	Very low	31.7	Very low	123 Å²	123	131.8 Å²	131.8	80%	0.799	79%	0.794	S	S	*	*				-152.5	133.1	88.9	36.6	-16.4	0	0	0	118.5
197	R	24.4	Very low	31.9	Very low	234 Å²	234	134.3 Å²	134.3	88%	0.883	79%	0.794	S	S	*	*			trans	12.2	118.2	134.7	-175.6	176.4	-174.9	160.7	2.4	122.5
198	A	27.8	Very low	32	Very low	88 Å²	88	138 Å²	138	73%	0.727	79%	0.79	S	S	*	*			trans	62.6	168.4	134.5	0	0	0	0	0	120
199	P	37	Very low	31.5	Very low	126 Å²	126	140 Å²	140	82%	0.818	79%	0.792	S	S	*	*			cis	-132.8	-164.8	8	44.9	-26.7	0	0	0	116.4
200	S	33.8	Very low	30.7	Very low	109 Å²	109	138 Å²	138	76%	0.762	78%	0.778	S	S	*	*			trans	-94.4	165.5	179.5	52	0	0	0	0	114.4
201	L	28	Very low	30.8	Very low	164 Å²	164	141.2 Å²	141.2	86%	0.859	77%	0.774	S	S	*	*			trans	-162.1	178.4	152.2	-115.8	168.9	0	0	0	112.4
202	D	25.9	Very low	31	Very low	135 Å²	135	145.2 Å²	145.2	72%	0.722	77%	0.772	S	S	*	*			trans	-111.7	178.2	-148.9	-80	-80.9	0	0	0	117.4
203	E	25.9	Very low	31	Very low	169 Å²	169	142.4 Å²	142.4	79%	0.79	77%	0.768	S	S	*	*			trans	65.3	129.8	154.9	-78.8	-173.3	104.1	0	0	121.7
204	L	27.4	Very low	30.9	Very low	168 Å²	168	138.5 Å²	138.5	88%	0.88	76%	0.762	S	S	*	*				-166.8	148.2	109.9	-100.1	168.1	0	0	0	112.3
205	V	30.9	Very low	30.9	Very low	118 Å²	118	139.8 Å²	139.8	72%	0.715	76%	0.763	S	S	*	*			trans	-136.9	174.7	174.3	-129.8	0	0	0	0	106
206	P	52.7	Low	30.8	Very low	98 Å²	98	139.2 Å²	139.2	64%	0.636	76%	0.755	S	S	*	*			cis	-147.7	-162.3	25.5	40.1	-15.2	0	0	0	117.1
207	H	33.2	Very low	30.3	Very low	161 Å²	161	143 Å²	143	75%	0.745	76%	0.755	S	S	*	*			trans	89.8	142.3	154.8	-70.1	1.5	0	0	0	120.3
208	R	30.8	Very low	30.9	Very low	202 Å²	202	136.1 Å²	136.1	76%	0.762	75%	0.748	S	S	*	*			cis	-168.6	-172.5	-24.8	-138.3	-174.8	-177.1	-151.5	2.2	111
209	I	28	Very low	31.4	Very low	157 Å²	157	137.9 Å²	137.9	81%	0.805	75%	0.752	S	S	*	*			trans	84.1	104	176.7	-50	166.5	0	0	0	112.5
210	T	27.6	Very low	31.1	Very low	91 Å²	91	138.5 Å²	138.5	56%	0.558	75%	0.754	S	S	*	*			cis	96.3	146.8	7.1	-37.8	0	0	0	0	117
211	I	29.8	Very low	30.8	Very low	149 Å²	149	137.9 Å²	137.9	76%	0.764	75%	0.749	S	S	*	*			trans	83.6	134.6	-177.3	-55.2	174.3	0	0	0	112.6
212	H	31.7	Very low	30.8	Very low	161 Å²	161	135.9 Å²	135.9	75%	0.745	74%	0.739	S	S	*	*			cis	-175	171	-29.9	-96.2	-44.2	0	0	0	106
213	S	30.4	Very low	31	Very low	113 Å²	113	136.7 Å²	136.7	79%	0.79	74%	0.739	S	S	*	*			cis	-171.3	163.8	-8.3	42.3	0	0	0	0	106.1
214	G	26.9	Very low	30.9	Very low	63 Å²	63	134.5 Å²	134.5	65%	0.649	74%	0.737	S	S	*	*			cis	-147	-170.5	1.2	0	0	0	0	0	109.1
215	E	29.2	Very low	30.9	Very low	179 Å²	179	131.4 Å²	131.4	84%	0.836	73%	0.73	S	S	*	*			cis	88.3	131	31	-61.2	-154.7	145.4	0	0	114.7
216	L	27.6	Very low	30.8	Very low	116 Å²	116	133.9 Å²	133.9	61%	0.607	73%	0.733	S	S	*	*			cis	-164.9	175.6	2	-121.6	171.5	0	0	0	113.4
217	Y	27.6	Very low	29.5	Very low	202 Å²	202	135.4 Å²	135.4	79%	0.792	74%	0.74	S	S	*	*			trans	70.2	141.1	154.3	-83.4	-62.7	0	0	0	123.6
218	A	36.4	Very low	29.3	Very low	89 Å²	89	137 Å²	137	74%	0.736	75%	0.745	S	S	*	*			trans	-129.5	141.8	148.6	0	0	0	0	0	109.1
219	P	39.6	Very low	30.1	Very low	125 Å²	125	132.5 Å²	132.5	81%	0.812	74%	0.743	S	S	*	*			trans	-127.2	175.7	162.1	38.1	-25.6	0	0	0	113.1
220	T	29	Very low	30.2	Very low	140 Å²	140	130.8 Å²	130.8	86%	0.859	74%	0.744	S	S	*	*			trans	-109.6	172.4	-175.7	53.1	0	0	0	0	113
221	S	28.6	Very low	30.3	Very low	95 Å²	95	133.8 Å²	133.8	66%	0.664	76%	0.756	S	S	*	*			trans	121.2	145.9	135.9	-155.1	0	0	0	0	119.5
222	N	27.6	Very low	31.2	Very low	123 Å²	123	132.5 Å²	132.5	66%	0.658	76%	0.758	S	S	*	*			trans	73.7	102.3	151.2	-76.1	-21.3	0	0	0	124.2
223	Q	29.3	Very low	31.1	Very low	152 Å²	152	128.4 Å²	128.4	71%	0.71	75%	0.752	S	S	*	*				79	132.5	111.6	-74.8	-175.6	67.7	0	0	124.2
224	T	24.8	Very low	31.2	Very low	122 Å²	122	131 Å²	131	75%	0.748	75%	0.751	S	S	*	*			trans	84.9	128.8	139.2	46.9	0	0	0	0	124
225	S	27.5	Very low	31.2	Very low	104 Å²	104	136 Å²	136	73%	0.727	76%	0.762	S	S	*	*			trans	95.7	99.8	140.1	-65.4	0	0	0	0	122.7
226	Q	29.4	Very low	31	Very low	169 Å²	169	131.2 Å²	131.2	79%	0.79	76%	0.761	S	S	*	*				58.3	127	119.5	-64.2	-75.9	6.1	0	0	121.4
227	V	25.1	Very low	31.1	Very low	130 Å²	130	137.3 Å²	137.3	79%	0.788	78%	0.776	S	S	*	*				174.8	139.7	109.4	152.4	0	0	0	0	111.2
228	F	29.1	Very low	31.6	Very low	194 Å²	194	133.6 Å²	133.6	85%	0.851	78%	0.777	S	S	*	*			trans	-111.4	152.2	169.5	-98	-78.2	0	0	0	110.7
229	P	47.2	Very low	31.1	Very low	109 Å²	109	132.4 Å²	132.4	71%	0.708	77%	0.773	S	S	*	*				-148.5	168.4	110.2	33	-14.9	0	0	0	114.1
230	S	29.1	Very low	30.5	Very low	120 Å²	120	136 Å²	136	84%	0.839	78%	0.779	S	S	*	*			cis	-164.6	166.9	-17.7	-94.9	0	0	0	0	111.4
231	L	31.4	Very low	30.4	Very low	155 Å²	155	133.6 Å²	133.6	81%	0.812	77%	0.773	S	S	*	*			trans	-85.5	164.3	-178.7	-94.2	162.9	0	0	0	114.3
232	P	47.3	Very low	30.4	Very low	121 Å²	121	136.1 Å²	136.1	79%	0.786	78%	0.775	S	S	*	*				-130.4	157.9	78.8	12.8	11.2	0	0	0	114.2
233	A	31	Very low	30.5	Very low	76 Å²	76	140.9 Å²	140.9	63%	0.628	78%	0.783	S	S	*	*			cis	87.6	135.2	32.6	0	0	0	0	0	113.5
234	Q	31.4	Very low	30.5	Very low	167 Å²	167	141 Å²	141	78%	0.78	79%	0.789	S	S	*	*			cis	-152.9	-174.2	7.8	-63.1	-172.4	3.5	0	0	113.5
235	L	28.4	Very low	30.5	Very low	168 Å²	168	141.3 Å²	141.3	88%	0.88	79%	0.794	S	S	*	*			trans	91	130.9	146.8	-71.9	159.7	0	0	0	121.8
236	G	24.3	Very low	30.7	Very low	79 Å²	79	141.7 Å²	141.7	81%	0.814	80%	0.797	S	S	*	*			trans	132.1	100.1	144.9	0	0	0	0	0	120
237	R	30.3	Very low	31.6	Very low	244 Å²	244	139 Å²	139	92%	0.921	80%	0.795	S	S	*	*			trans	-109.4	173.9	149.4	-124.1	-166.2	172.3	-162.8	-1.7	107.4
238	P	36.9	Very low	31.7	Very low	124 Å²	124	137.8 Å²	137.8	81%	0.805	79%	0.792	S	S	*	*			cis	-100.1	-140.9	19.5	44.7	-39	0	0	0	111.8
239	G	25.6	Very low	31.8	Very low	64 Å²	64	138.7 Å²	138.7	66%	0.66	80%	0.796	S	S	*	*			cis	-179.2	-165.5	3.7	0	0	0	0	0	114.8
240	H	27.5	Very low	30.8	Very low	199 Å²	199	136.5 Å²	136.5	92%	0.921	79%	0.793	S	S	*	*			trans	-126.9	150.2	174.7	-90.9	-123.1	0	0	0	110.2
241	A	27.2	Very low	30.9	Very low	90 Å²	90	139.4 Å²	139.4	74%	0.744	80%	0.798	S	S	*	*				178.5	132.5	124.9	0	0	0	0	0	113.6
242	E	27.3	Very low	30.8	Very low	149 Å²	149	138.2 Å²	138.2	70%	0.696	79%	0.793	S	S	*	*			trans	9.9	140.4	144.3	-42.3	173.5	167.7	0	0	121.6
243	R	30.5	Very low	30	Very low	222 Å²	222	139.1 Å²	139.1	84%	0.838	79%	0.79	S	S	*	*				177.9	151	92.5	-93.1	174.1	-166.4	-167.2	-1	114.1
244	N	28.5	Very low	29.9	Very low	154 Å²	154	139.6 Å²	139.6	82%	0.824	79%	0.789	S	S	*	*			trans	-79.6	146.3	166.6	-68.8	-27.2	0	0	0	110.9
245	C	26	Very low	29.9	Very low	129 Å²	129	140.7 Å²	140.7	87%	0.872	79%	0.791	S	S	*	*				165.9	143.7	120.5	-89.8	0	0	0	0	113
246	S	31	Very low	30	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	79%	0.791	S	S	*	*			trans	-91.3	-175.2	164.7	-27.1	0	0	0	0	109.7
247	P	48.6	Very low	30.3	Very low	113 Å²	113	143.7 Å²	143.7	73%	0.734	79%	0.789	S	S	*	*			cis	-133.3	-167.5	-17.4	40.3	-23.3	0	0	0	113.1
248	S	28.1	Very low	30.8	Very low	104 Å²	104	138.1 Å²	138.1	73%	0.727	78%	0.784	S	S	*	*			trans	74	132.5	151	75.3	0	0	0	0	120.7
249	F	30.7	Very low	30.4	Very low	212 Å²	212	138.2 Å²	138.2	93%	0.93	78%	0.783	S	S	*	*			trans	-153.6	145.7	136.3	-107.4	-73.7	0	0	0	108.4
250	G	26.2	Very low	30.5	Very low	64 Å²	64	139.9 Å²	139.9	66%	0.66	78%	0.784	S	S	*	*			trans	-147	155.1	170.4	0	0	0	0	0	109.4
251	L	31.1	Very low	30.5	Very low	180 Å²	180	139.5 Å²	139.5	94%	0.942	78%	0.783	S	S	*	*			trans	-141.4	162.9	173.3	-78.5	-179.2	0	0	0	110.7
252	D	29.8	Very low	30.6	Very low	130 Å²	130	139.2 Å²	139.2	70%	0.695	78%	0.775	S	S	*	*			trans	-138.5	167.3	-151	173.3	35.5	0	0	0	111.4
253	L	30.3	Very low	30.8	Very low	141 Å²	141	139.6 Å²	139.6	74%	0.738	78%	0.777	S	S	*	*			trans	143.9	93.6	134.2	-74.5	168.4	0	0	0	115.3
254	S	28.8	Very low	30.8	Very low	86 Å²	86	137.7 Å²	137.7	60%	0.601	78%	0.777	S	S	*	*				50.7	124.9	119.1	-69.7	0	0	0	0	121.6
255	K	30.3	Very low	30.7	Very low	190 Å²	190	136 Å²	136	83%	0.826	77%	0.773	S	S	*	*				-179.6	143.2	110.9	-101	151	-171.3	161.8	0	117.3
256	K	30.6	Very low	31.6	Very low	199 Å²	199	135.2 Å²	135.2	87%	0.865	77%	0.766	S	S	*	*			trans	79.5	123	153.9	-64.6	162.6	-179.4	-177.1	0	120.5
257	S	31.6	Very low	31.5	Very low	110 Å²	110	135.4 Å²	135.4	77%	0.769	77%	0.767	S	S	*	*			trans	-80.6	173.5	155.2	-34.2	0	0	0	0	111.7
258	P	40.9	Very low	30.7	Very low	128 Å²	128	138 Å²	138	83%	0.831	77%	0.769	S	S	*	*				-139.4	-166.5	111.9	40.6	-29.4	0	0	0	113.8
259	T	27.6	Very low	30.8	Very low	126 Å²	126	138.9 Å²	138.9	77%	0.773	77%	0.771	S	S	*	*			trans	-133.4	152.6	-160.6	-11.2	0	0	0	0	113.6
260	S	28.8	Very low	30.7	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	76%	0.762	S	S	*	*			trans	75.4	149.6	147.2	-56.4	0	0	0	0	121.9
261	Q	27.7	Very low	30.7	Very low	192 Å²	192	141.1 Å²	141.1	90%	0.897	77%	0.768	S	S	*	*			trans	72.1	151.6	156.5	-74.7	179.2	21.6	0	0	118.7
262	S	29.3	Very low	30.6	Very low	83 Å²	83	138.5 Å²	138.5	58%	0.58	76%	0.76	S	S	*	*			cis	-167.6	161.7	-16.6	-173.1	0	0	0	0	111.5
263	Q	30.5	Very low	30.5	Very low	158 Å²	158	139.1 Å²	139.1	74%	0.738	76%	0.763	S	S	*	*			trans	60	120.8	155.4	-78.1	153.3	37.9	0	0	121.3
264	H	29.9	Very low	30.3	Very low	182 Å²	182	135.9 Å²	135.9	84%	0.843	75%	0.753	S	S	*	*				-153.2	142.5	92.2	-112.7	-81.3	0	0	0	113
265	T	27.9	Very low	30.4	Very low	119 Å²	119	140.5 Å²	140.5	73%	0.73	76%	0.764	S	S	*	*			trans	-118.2	179.6	172.7	50.1	0	0	0	0	107.7
266	P	44.9	Very low	30.2	Very low	112 Å²	112	137 Å²	137	73%	0.727	76%	0.763	S	S	*	*			cis	-129.7	-177.1	14.8	48.2	-29.7	0	0	0	113
267	S	27.9	Very low	30.2	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	76%	0.76	S	S	*	*				-140.5	152.3	54	-71.8	0	0	0	0	115.9
268	Q	31.6	Very low	30	Very low	168 Å²	168	138.6 Å²	138.6	79%	0.785	77%	0.767	S	S	*	*			trans	-77.4	169.7	173.1	-65.8	178.9	-18.7	0	0	110
269	T	29.7	Very low	29.5	Very low	123 Å²	123	139.5 Å²	139.5	76%	0.755	76%	0.76	S	S	*	*				-154.2	140.9	54.1	49.5	0	0	0	0	116.2
270	H	29.7	Very low	29.8	Very low	161 Å²	161	142.3 Å²	142.3	75%	0.745	76%	0.756	S	S	*	*			trans	38.4	127.5	151.6	-69.4	-100.4	0	0	0	121.2
271	M	26.2	Very low	29.8	Very low	161 Å²	161	144.6 Å²	144.6	79%	0.793	76%	0.761	S	S	*	*			cis	85.2	130.7	30.8	-74.2	-83.9	168.7	0	0	117.8
272	T	28.1	Very low	29.9	Very low	126 Å²	126	139.3 Å²	139.3	77%	0.773	76%	0.758	S	S	*	*			trans	67.7	154.7	159.9	56.8	0	0	0	0	120.1
273	N	28.3	Very low	29.9	Very low	142 Å²	142	141.5 Å²	141.5	76%	0.759	77%	0.768	S	S	*	*			cis	-169.9	160	-36.3	-161.2	16.1	0	0	0	110.3
274	S	26.9	Very low	29.9	Very low	74 Å²	74	141.2 Å²	141.2	52%	0.517	77%	0.77	S	S	.	*			trans	63.3	133.8	149.7	-75.1	0	0	0	0	124.2
275	H	29.6	Very low	29.9	Very low	183 Å²	183	138.2 Å²	138.2	85%	0.847	77%	0.77	S	S	*	*			trans	57.2	126.2	150.2	-55.7	-57.3	0	0	0	119.9
276	S	26.4	Very low	29.8	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	78%	0.776	S	S	*	*				-159.5	175.4	71.3	59.1	0	0	0	0	114.7
277	N	29.8	Very low	29.1	Very low	149 Å²	149	135.7 Å²	135.7	80%	0.797	78%	0.779	S	S	*	*			trans	-87.1	164.8	173.2	-54.8	-33.3	0	0	0	112
278	E	27.9	Very low	29	Very low	195 Å²	195	137.2 Å²	137.2	91%	0.911	78%	0.783	S	S	*	*				-176.6	-178.1	116.2	-99.1	-176.8	115.3	0	0	112.5
279	E	31.8	Very low	29.2	Very low	146 Å²	146	134.5 Å²	134.5	68%	0.682	78%	0.783	S	S	*	*			trans	-104.3	166.8	-158	-55.5	179.2	53.3	0	0	117.3
280	R	32.5	Very low	30.3	Very low	185 Å²	185	133.9 Å²	133.9	70%	0.698	78%	0.781	S	S	*	*				98.7	141.9	128.8	-102.5	179.1	-125.7	-155.5	1.6	124.7
281	D	28.4	Very low	30.4	Very low	147 Å²	147	132.5 Å²	132.5	79%	0.786	78%	0.778	S	S	*	*			trans	58.6	146.1	147.5	-59.7	-31.5	0	0	0	122
282	G	29.6	Very low	30.6	Very low	80 Å²	80	133.9 Å²	133.9	83%	0.825	78%	0.782	S	S	*	*			trans	162.9	55.4	177	0	0	0	0	0	117.5
283	T	29.9	Very low	30.6	Very low	130 Å²	130	131.3 Å²	131.3	80%	0.798	78%	0.781	S	S	*	*			trans	-70.7	163	-172.3	-12.5	0	0	0	0	116.8
284	L	30.8	Very low	30.8	Very low	151 Å²	151	128.6 Å²	128.6	79%	0.791	78%	0.778	S	S	*	*			trans	87.8	109.2	149.6	-70.4	161.6	0	0	0	122.5
285	S	30.1	Very low	30.9	Very low	120 Å²	120	133.1 Å²	133.1	84%	0.839	80%	0.796	S	S	*	*				14.9	133.5	123.6	-47.3	0	0	0	0	121.6
286	G	26.4	Very low	30.9	Very low	83 Å²	83	127.9 Å²	127.9	86%	0.856	79%	0.792	S	S	*	*			trans	-177.6	125.6	157.6	0	0	0	0	0	113
287	A	28.9	Very low	31.1	Very low	94 Å²	94	134.5 Å²	134.5	78%	0.777	80%	0.8	S	S	*	*			trans	-117.4	150.4	179.8	0	0	0	0	0	111.8
288	T	27.6	Very low	31	Very low	148 Å²	148	131.4 Å²	131.4	91%	0.908	80%	0.795	S	S	*	*			trans	-176.7	158.8	131.5	19.2	0	0	0	0	112.9
289	S	35.3	Very low	30.9	Very low	111 Å²	111	130.7 Å²	130.7	78%	0.776	79%	0.789	S	S	*	*			trans	-84.5	-155.5	177.9	-30.3	0	0	0	0	110.7
290	P	51.5	Low	30.7	Very low	110 Å²	110	131.4 Å²	131.4	71%	0.714	79%	0.794	S	S	*	*			cis	-144.4	-175.1	23.8	32.2	-5.3	0	0	0	116.9
291	I	31.8	Very low	30.4	Very low	133 Å²	133	126.4 Å²	126.4	68%	0.682	79%	0.788	S	S	*	*				165.4	123	115.9	-85.3	167.7	0	0	0	112.7
292	Q	31.4	Very low	30.4	Very low	189 Å²	189	127.6 Å²	127.6	88%	0.883	79%	0.789	S	S	*	*			trans	49	148.2	151.6	-64.8	162.1	-4	0	0	122
293	G	28.3	Very low	30.2	Very low	72 Å²	72	132.2 Å²	132.2	74%	0.742	79%	0.786	S	S	*	*			cis	162.9	155.1	-10.9	0	0	0	0	0	116.2
294	A	31.8	Very low	30	Very low	86 Å²	86	133.6 Å²	133.6	71%	0.711	79%	0.786	S	S	*	*			trans	74.5	115.7	160	0	0	0	0	0	122
295	N	30.3	Very low	29.8	Very low	168 Å²	168	133.6 Å²	133.6	90%	0.898	78%	0.782	S	S	*	*				54	138.3	128.1	-48.9	-18.9	0	0	0	121.9
296	G	27.9	Very low	29.7	Very low	74 Å²	74	133.3 Å²	133.3	76%	0.763	78%	0.779	S	S	*	*			cis	155	149.2	-10.3	0	0	0	0	0	115.6
297	R	31.2	Very low	29.8	Very low	253 Å²	253	135.2 Å²	135.2	96%	0.955	77%	0.774	S	S	*	*			trans	65.5	114.2	159.1	-88.9	-175.7	167.6	-172.5	-4.4	121.8
298	A	27.3	Very low	29.8	Very low	85 Å²	85	137.9 Å²	137.9	70%	0.702	77%	0.771	S	S	*	*				112.3	126.4	107.4	0	0	0	0	0	122
299	F	26.4	Very low	29.9	Very low	179 Å²	179	138.3 Å²	138.3	79%	0.785	76%	0.762	S	S	*	*			trans	72.2	106	135.9	-88.5	-110.5	0	0	0	123.8
300	M	27	Very low	29.8	Very low	161 Å²	161	138.1 Å²	138.1	79%	0.793	77%	0.767	S	S	*	*				89.1	140.8	120.8	-88.3	-172.9	170.5	0	0	125.1
301	S	27.2	Very low	28.6	Very low	81 Å²	81	136.6 Å²	136.6	57%	0.566	77%	0.772	S	S	*	*			trans	69.3	114.1	144.7	-71.1	0	0	0	0	123.9
302	E	27	Very low	28.4	Very low	172 Å²	172	135.5 Å²	135.5	80%	0.804	78%	0.776	S	S	*	*				53.5	107.9	119.4	-60.1	161	91.9	0	0	121.4
303	K	25.6	Very low	28.3	Very low	177 Å²	177	134.2 Å²	134.2	77%	0.77	77%	0.774	S	S	*	*				-161.8	134.7	107	-109.8	-171.9	156	-170.3	0	109.3
304	M	27.2	Very low	28.6	Very low	159 Å²	159	136.9 Å²	136.9	78%	0.783	78%	0.776	S	S	*	*			cis	86.5	136.7	44.3	-135.9	178.7	-159.3	0	0	113.9
305	E	26.2	Very low	29.8	Very low	151 Å²	151	138.1 Å²	138.1	71%	0.706	78%	0.777	S	S	*	*			trans	76.7	132.6	174.8	-57.1	172	94.5	0	0	116
306	S	26.8	Very low	31.6	Very low	113 Å²	113	135.4 Å²	135.4	79%	0.79	77%	0.769	S	S	*	*			cis	85	138.3	31	-60.3	0	0	0	0	113.4
307	V	28.6	Very low	33.2	Very low	123 Å²	123	136.8 Å²	136.8	75%	0.745	76%	0.764	S	S	*	*			cis	-163	156.7	-13.9	95	0	0	0	0	110.6
308	E	29.4	Very low	33.4	Very low	151 Å²	151	133.5 Å²	133.5	71%	0.706	76%	0.757	S	S	*	*			trans	65.2	134.4	156.6	-73.3	-170.8	130.9	0	0	126.8
309	Q	30.6	Very low	35.1	Very low	156 Å²	156	134.6 Å²	134.6	73%	0.729	76%	0.757	S	S	*	*			trans	71.7	108.2	132	-65.6	179.6	26.8	0	0	125.1
310	A	31.5	Very low	35.4	Very low	107 Å²	107	133.4 Å²	133.4	88%	0.884	75%	0.754	S	S	*	*				66.4	122.2	120.7	0	0	0	0	0	124.1
311	G	28.1	Very low	35.6	Very low	79 Å²	79	132.3 Å²	132.3	81%	0.814	75%	0.75	S	S	*	*			trans	146.7	145.9	139.7	0	0	0	0	0	119.8
312	S	26.7	Very low	35.7	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	76%	0.761	S	S	*	*			trans	95.8	106.7	144.2	-147.3	0	0	0	0	123.6
313	L	28.6	Very low	35.9	Very low	163 Å²	163	135 Å²	135	85%	0.853	76%	0.758	S	S	*	*			trans	79.6	153.8	135.4	-67.2	174.4	0	0	0	125.2
314	T	36.1	Very low	37	Very low	127 Å²	127	132.4 Å²	132.4	78%	0.779	76%	0.76	S	S	*	*			trans	-116.6	175.6	-173.5	58.6	0	0	0	0	110.8
315	P	56.1	Low	37.1	Very low	113 Å²	113	131.8 Å²	131.8	73%	0.734	76%	0.759	S	S	*	*				-154.7	-152.7	62.1	38	-11.8	0	0	0	115.6
316	P	67.3	Low	37	Very low	110 Å²	110	129 Å²	129	71%	0.714	76%	0.761	S	S	*	*				-111.2	-136.1	-71.5	38.7	-20.4	0	0	0	110.6
317	P	61.3	Low	38.2	Very low	103 Å²	103	128.6 Å²	128.6	67%	0.669	76%	0.756	S	S	*	*			cis	-135.2	164.6	-25.1	38.2	-18.9	0	0	0	118.5
318	F	37.4	Very low	38.2	Very low	184 Å²	184	131.4 Å²	131.4	81%	0.807	76%	0.761	S	S	*	*			trans	14.4	164.1	142.3	-64.8	-70.1	0	0	0	126.4
319	P	62	Low	38.2	Very low	108 Å²	108	131.9 Å²	131.9	70%	0.701	77%	0.768	S	S	*	*			cis	-140.6	158.2	0.5	22.5	3.9	0	0	0	121.8
320	H	33.1	Very low	39	Very low	155 Å²	155	129 Å²	129	72%	0.718	76%	0.762	S	S	*	*			trans	68.8	119.2	138.3	-69.4	-52.4	0	0	0	129.1
321	L	31.5	Very low	38.9	Very low	138 Å²	138	132.5 Å²	132.5	72%	0.723	76%	0.76	S	S	*	*				64	153.2	125.7	-60.5	171.8	0	0	0	122.3
322	N	28.8	Very low	39.1	Very low	146 Å²	146	136.4 Å²	136.4	78%	0.781	76%	0.761	S	S	*	*			cis	-155.6	179.3	2.6	-139	-15.3	0	0	0	115.6
323	Q	30.2	Very low	39.1	Very low	162 Å²	162	140.8 Å²	140.8	76%	0.757	77%	0.769	S	S	*	*			trans	-95.7	-175.4	179.7	-97.3	-177.8	9.4	0	0	114.6
324	P	50.3	Low	39	Very low	123 Å²	123	143.7 Å²	143.7	80%	0.799	77%	0.769	S	S	*	*			cis	-145.7	-142.2	29.6	44.4	-19.5	0	0	0	118.9
325	L	28.6	Very low	38.7	Very low	147 Å²	147	143.4 Å²	143.4	77%	0.77	77%	0.772	S	S	*	*			trans	-118	165.8	-149.2	-59.3	75	0	0	0	118.8
326	A	23.3	Very low	37.2	Very low	91 Å²	91	141.3 Å²	141.3	75%	0.752	77%	0.771	S	S	*	*			trans	78.7	169.1	140.9	0	0	0	0	0	120.6
327	P	52.9	Low	35.5	Very low	105 Å²	105	141.4 Å²	141.4	68%	0.682	77%	0.774	S	S	*	*			cis	-142.1	-179.9	-32.7	31.4	-9.3	0	0	0	117.8
328	H	28.4	Very low	33.9	Very low	183 Å²	183	145.9 Å²	145.9	85%	0.847	79%	0.786	S	S	*	*			trans	95.6	158.3	147.7	-67.5	-43.2	0	0	0	124.9
329	L	28.7	Very low	33.4	Very low	161 Å²	161	140.4 Å²	140.4	84%	0.843	78%	0.781	S	S	*	*			trans	-86.1	-170.3	-174.8	-78.7	158.9	0	0	0	112.6
330	P	49.1	Very low	31.9	Very low	96 Å²	96	142 Å²	142	62%	0.623	79%	0.789	S	S	*	*			cis	-136	178.9	0.1	27.5	-3	0	0	0	116.3
331	H	28.7	Very low	31.7	Very low	179 Å²	179	141.9 Å²	141.9	83%	0.829	79%	0.794	S	S	*	*				169	156.2	116.3	-97.2	-77.5	0	0	0	114.8
332	L	31.3	Very low	31.6	Very low	162 Å²	162	147.2 Å²	147.2	85%	0.848	80%	0.804	S	S	*	*			trans	-104	148.6	173.6	-75.2	160.1	0	0	0	110.9
333	H	27.3	Very low	31.6	Very low	200 Å²	200	150.8 Å²	150.8	93%	0.926	81%	0.809	S	S	*	*			trans	-156.7	174.5	144.2	-124.1	-94.6	0	0	0	112.4
334	R	27.2	Very low	32.1	Very low	225 Å²	225	148.5 Å²	148.5	85%	0.849	81%	0.808	S	S	*	*			trans	-127.8	157	-157.6	-174.2	-175.9	-174.8	-162	4	113.4
335	S	29.2	Very low	31.4	Very low	121 Å²	121	148.2 Å²	148.2	85%	0.846	81%	0.807	S	S	*	*			trans	99.7	143	170.5	-48.8	0	0	0	0	115.4
336	G	25.2	Very low	31.9	Very low	68 Å²	68	147.2 Å²	147.2	70%	0.701	81%	0.81	S	S	*	*			cis	165.8	154.1	-12.6	0	0	0	0	0	115.9
337	S	30.3	Very low	32.1	Very low	113 Å²	113	147.4 Å²	147.4	79%	0.79	81%	0.811	S	S	*	*			trans	80.1	143.2	161.9	80.7	0	0	0	0	121.5
338	Q	29.6	Very low	31.4	Very low	197 Å²	197	146.9 Å²	146.9	92%	0.921	81%	0.81	S	S	*	*			trans	65.3	131.7	162.2	-58.8	-173.3	1.6	0	0	120.8
339	G	26.4	Very low	32	Very low	68 Å²	68	144.2 Å²	144.2	70%	0.701	81%	0.809	S	S	*	*			trans	154.3	85.8	163.1	0	0	0	0	0	118
340	T	29.5	Very low	31.9	Very low	141 Å²	141	143 Å²	143	87%	0.865	80%	0.803	S	S	*	*			trans	47.9	144.2	145.5	55.5	0	0	0	0	123.7
341	D	29.2	Very low	31	Very low	153 Å²	153	144.4 Å²	144.4	82%	0.818	81%	0.81	S	S	*	*			trans	-56	146.4	163.7	-52.5	-99.6	0	0	0	114.6
342	R	29.1	Very low	31.7	Very low	250 Å²	250	141.5 Å²	141.5	94%	0.943	81%	0.807	S	S	*	*			trans	-175.1	135.1	140.1	-106.3	160.3	-167.2	-157.6	2.2	115.3
343	Y	28.1	Very low	31.6	Very low	222 Å²	222	139.5 Å²	139.5	87%	0.871	80%	0.802	S	S	*	*			trans	-69.9	173.1	148.8	-79.6	-92.8	0	0	0	110.5
344	P	42	Very low	31.9	Very low	114 Å²	114	139 Å²	139	74%	0.74	80%	0.8	S	S	*	*			cis	-133	-148.9	-6.9	33.9	-10.4	0	0	0	112.7
345	C	35.6	Very low	31.9	Very low	117 Å²	117	132 Å²	132	79%	0.791	80%	0.798	S	S	*	*			trans	-51.8	160.8	173.4	-44.3	0	0	0	0	116.2
346	P	39.8	Very low	31.9	Very low	126 Å²	126	129.9 Å²	129.9	82%	0.818	80%	0.795	S	S	*	*				-143.1	175.6	112.8	38.6	-26.1	0	0	0	113.3
347	A	26.3	Very low	32	Very low	94 Å²	94	136 Å²	136	78%	0.777	81%	0.806	S	S	*	*			cis	-170.2	169.1	-31.8	0	0	0	0	0	108.6
348	S	37.8	Very low	32	Very low	94 Å²	94	135.9 Å²	135.9	66%	0.657	81%	0.811	S	S	*	*			trans	-69.4	177.9	169	-49.4	0	0	0	0	112.5
349	P	42.1	Very low	32	Very low	128 Å²	128	130.3 Å²	130.3	83%	0.831	81%	0.807	S	S	*	*				-122.7	144.5	129.6	35.8	-31.4	0	0	0	112.8
350	D	25.3	Very low	32.2	Very low	134 Å²	134	139.2 Å²	139.2	72%	0.717	82%	0.819	S	S	*	*			trans	-104.9	155	179.8	-64.8	-78.4	0	0	0	112.3
351	T	31.7	Very low	32.3	Very low	127 Å²	127	141.7 Å²	141.7	78%	0.779	82%	0.821	S	S	*	*			trans	26.4	144.4	147	68.4	0	0	0	0	121.9
352	P	41.8	Very low	32.3	Very low	117 Å²	117	142.9 Å²	142.9	76%	0.76	82%	0.824	S	S	*	*				-146.4	144.1	88.8	33.3	-14.1	0	0	0	117.7
353	T	30.1	Very low	32.4	Very low	121 Å²	121	133.9 Å²	133.9	74%	0.742	81%	0.809	S	S	*	*				45.2	128.3	122.2	-42.1	0	0	0	0	119.8
354	E	33.8	Very low	32.5	Very low	189 Å²	189	130.4 Å²	130.4	88%	0.883	81%	0.806	S	S	*	*			cis	-166.5	167.5	-2.3	-133.6	172.5	-145.5	0	0	112
355	G	27.3	Very low	31.9	Very low	79 Å²	79	132.5 Å²	132.5	81%	0.814	81%	0.809	S	S	*	*			trans	119.8	124.4	147.6	0	0	0	0	0	120.2
356	G	28.1	Very low	31.6	Very low	75 Å²	75	136.9 Å²	136.9	77%	0.773	81%	0.81	S	S	*	*			trans	108.9	62.6	139.1	0	0	0	0	0	122.8
357	E	28.7	Very low	30.8	Very low	198 Å²	198	141.8 Å²	141.8	93%	0.925	81%	0.812	S	S	*	*			trans	63.7	153.9	143	-56.3	-161.6	123.3	0	0	124.8
358	A	28.8	Very low	30.8	Very low	109 Å²	109	148.7 Å²	148.7	90%	0.901	82%	0.819	S	S	*	*			trans	76	124.6	160	0	0	0	0	0	121.7
359	G	29.7	Very low	30.3	Very low	81 Å²	81	149.6 Å²	149.6	84%	0.835	82%	0.82	S	S	*	*			trans	115.1	116.2	164.1	0	0	0	0	0	115.4
360	R	31.1	Very low	29.4	Very low	255 Å²	255	152.2 Å²	152.2	96%	0.962	82%	0.818	S	S	*	*			trans	-133.1	112.7	171.6	-82.4	-172.9	176.9	174.7	-0.1	111.8
361	E	32	Very low	29.5	Very low	192 Å²	192	154 Å²	154	90%	0.897	82%	0.822	S	S	*	*			trans	-118.9	144	148.6	-69.5	-171.8	133.8	0	0	107.3
362	M	30	Very low	29.3	Very low	178 Å²	178	155.8 Å²	155.8	88%	0.877	82%	0.821	S	S	*	*			trans	-155.2	110.2	170.7	-151.6	72	-175.6	0	0	111.8
363	G	29.6	Very low	28.9	Very low	62 Å²	62	156.4 Å²	156.4	64%	0.639	83%	0.825	S	S	*	*			trans	-86.5	135.9	171.1	0	0	0	0	0	111.7
364	N	29.9	Very low	28.8	Very low	149 Å²	149	158.4 Å²	158.4	80%	0.797	83%	0.831	S	S	*	*			trans	-81.8	125.3	-178.5	-79.4	-31.3	0	0	0	112.6
365	I	30.3	Very low	28.8	Very low	157 Å²	157	155.4 Å²	155.4	81%	0.805	83%	0.827	S	S	*	*			trans	-108.4	115	-179.1	-62.2	168.2	0	0	0	109.4
366	Y	28.3	Very low	28.9	Very low	210 Å²	210	160.1 Å²	160.1	82%	0.824	82%	0.822	S	S	*	*			trans	-81.1	118.3	173.1	-75.2	-82.2	0	0	0	111.6
367	R	24.4	Very low	28.9	Very low	229 Å²	229	161.1 Å²	161.1	86%	0.864	82%	0.823	S	S	*	*			trans	-110.8	119.7	178.6	177.5	178.7	174.4	177.2	-2.5	110.2
368	W	26.9	Very low	29	Very low	239 Å²	239	155.2 Å²	155.2	91%	0.905	82%	0.815	S	S	*	*			trans	-81.7	137	-179.4	-66.2	79.7	0	0	0	112.2
369	V	25.9	Very low	29.1	Very low	113 Å²	113	155.3 Å²	155.3	69%	0.685	80%	0.797	S	S	*	*			trans	-117.8	147.2	168.9	179.9	0	0	0	0	108.2
370	K	24.5	Very low	29.2	Very low	183 Å²	183	158.8 Å²	158.8	80%	0.796	80%	0.796	S	S	*	*			trans	-112.9	121.1	-172.9	-171.7	-167.6	179.9	-156.3	0	109.9
371	H	27.1	Very low	29.3	Very low	171 Å²	171	154.2 Å²	154.2	79%	0.792	79%	0.786	S	S	*	*			trans	-123.4	151.6	170.4	-81.6	-86.3	0	0	0	110.8
372	E	27	Very low	29.6	Very low	165 Å²	165	151.8 Å²	151.8	77%	0.771	78%	0.779	S	S	*	*			trans	-96.8	151.8	179.2	-64.6	180	137.9	0	0	110.4
373	P	32.5	Very low	30	Very low	129 Å²	129	151.6 Å²	151.6	84%	0.838	78%	0.776	S	S	*	*			trans	-80.8	146.6	-173.1	32.2	-35.4	0	0	0	113.4
374	L	28.3	Very low	30.6	Very low	164 Å²	164	151.1 Å²	151.1	86%	0.859	76%	0.759	S	S	*	*			trans	-109.8	161.2	164.2	-82.8	176.2	0	0	0	110
375	P	34.8	Very low	31.1	Very low	125 Å²	125	151.9 Å²	151.9	81%	0.812	76%	0.758	S	S	*	*			trans	-76.9	165.4	-159.3	29.7	-36.3	0	0	0	115.5
376	Y	28	Very low	31.6	Very low	178 Å²	178	147.7 Å²	147.7	70%	0.698	74%	0.737	S	S	*	*			trans	-80.6	150.4	-165.5	-149.2	-135.2	0	0	0	114.6	E379	Y376-E379 HydrophobicContact CE1-CG 3.64Å; Y376-E379 WeakPolarHBondContact CE1-OE1 2.79Å; Y376-E379 WeakPolarHBondContact OH-CG 3.14Å; Y376-E379 PolarHBondContact OH-OE1 3.32Å; Y376-E379 PolarHBondContact OH-OE2 2.99Å
377	A	29.2	Very low	32.1	Very low	96 Å²	96	146.2 Å²	146.2	79%	0.793	74%	0.738	S	S	*	*			trans	-154.8	121.5	165.5	0	0	0	0	0	110.9
378	G	31.6	Very low	32.7	Very low	75 Å²	75	139.9 Å²	139.9	77%	0.773	72%	0.718	S	S	*	*			trans	71.5	105.4	167.7	0	0	0	0	0	116.1
379	E	30.1	Very low	33	Very low	111 Å²	111	137.7 Å²	137.7	52%	0.519	72%	0.718	S	S	.	*			trans	-92.6	122.4	158.5	-68	-171	-102.6	0	0	109.1	Y376 E381	Y376-E379 HydrophobicContact CE1-CG 3.64Å; Y376-E379 WeakPolarHBondContact CE1-OE1 2.79Å; Y376-E379 WeakPolarHBondContact OH-CG 3.14Å; Y376-E379 PolarHBondContact OH-OE1 3.32Å; Y376-E379 PolarHBondContact OH-OE2 2.99Å; E379-E381 HydrophobicContact CB-CG 4.26Å
380	D	32	Very low	33.2	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	72%	0.721	S	S	*	*			trans	-87	109.4	152.3	-71.5	-51	0	0	0	106.6	D382	D380-D382 PolarHBondContact O-N 3.09Å
381	E	33.7	Very low	33.4	Very low	159 Å²	159	132.1 Å²	132.1	74%	0.743	73%	0.725	S	S	*	*			trans	-79.7	81	-176.3	-67.9	-176.9	138.8	0	0	111.5	E379 E383	E379-E381 HydrophobicContact CB-CG 4.26Å; E381-E383 VanDerWaalsContact C-N 3.35Å; E381-E383 PolarHBondContact O-N 3.03Å
382	D	37.9	Very low	33.6	Very low	142 Å²	142	132.4 Å²	132.4	76%	0.759	73%	0.727	S	S	*	*			trans	-65.1	89.5	164.3	-89.8	-28.6	0	0	0	109.9	D380 D384	D380-D382 PolarHBondContact O-N 3.09Å; D382-D384 PolarHBondContact O-N 2.91Å
383	E	38.8	Very low	33.7	Very low	173 Å²	173	132.9 Å²	132.9	81%	0.808	73%	0.734	S	S	*	*			trans	-67.8	114.1	172.1	-66.2	-161.3	117.8	0	0	110.9	E381 E385	E381-E383 VanDerWaalsContact C-N 3.35Å; E381-E383 PolarHBondContact O-N 3.03Å; E383-E385 VanDerWaalsContact C-N 3.27Å; E383-E385 PolarHBondContact O-N 3.16Å
384	D	41.9	Very low	33.5	Very low	53 Å²	53	130.3 Å²	130.3	28%	0.283	73%	0.731	S	S	.	*			trans	-72.9	71.6	179.2	-112.6	-11	0	0	0	110.4	D382 D386 T604 R605 R608	D382-D384 PolarHBondContact O-N 2.91Å; D384-D386 PolarHBondContact O-N 3.47Å; D384-D386 VanDerWaalsContact O-N 3.11Å; D384-T604 PolarHBondContact OD2-OG1 3.01Å; D384-R605 IonicContact OD2-NE 3.59Å; D384-R605 IonicContact OD2-NH2 3.65Å; D384-R608 IonicContact OD1-CZ 2.72Å; D384-R608 IonicContact OD1-NE 3.72Å; D384-R608 IonicContact OD1-NH2 3.87Å; D384-R608 PolarHBondContact OD1-NH2 2.95Å
385	E	40.4	Very low	33.4	Very low	165 Å²	165	129.3 Å²	129.3	77%	0.771	73%	0.726	S	S	*	*			trans	-69.8	99.1	165.9	-68.8	-143.9	118	0	0	110.4	E383 E387	E383-E385 VanDerWaalsContact C-N 3.27Å; E383-E385 PolarHBondContact O-N 3.16Å; E385-E387 VanDerWaalsContact C-N 3.33Å; E385-E387 PolarHBondContact O-N 3.42Å
386	D	39.4	Very low	33.4	Very low	69 Å²	69	129.9 Å²	129.9	37%	0.369	72%	0.718	S	S	.	*			trans	-71.4	83.7	169.4	-84.3	-49.1	0	0	0	110.4	D384 E388 R583 R605	D384-D386 PolarHBondContact O-N 3.47Å; D384-D386 VanDerWaalsContact O-N 3.11Å; D386-E388 PolarHBondContact O-N 3.36Å; D386-R583 IonicContact OD1-NH2 3.99Å; D386-R583 IonicContact OD2-NH2 3.86Å; D386-R605 IonicContact OD1-CZ 2.8Å; D386-R605 VanDerWaalsContact OD1-CZ 3.24Å; D386-R605 IonicContact OD1-NH1 3.64Å; D386-R605 PolarHBondContact OD1-NH1 3.13Å; D386-R605 IonicContact OD1-NH2 3.64Å; D386-R605 PolarHBondContact OD1-NH2 3.37Å; D386-R605 IonicContact OD2-CZ 3.51Å; D386-R605 IonicContact OD2-NH1 3.55Å; D386-R605 IonicContact OD2-NH2 3.32Å; D386-R605 PolarHBondContact OD2-NH2 3.5Å
387	E	38.7	Very low	33.6	Very low	179 Å²	179	128.1 Å²	128.1	84%	0.836	72%	0.716	S	S	*	*			trans	-66	96	161.6	-69.3	-168.1	132.2	0	0	109.9	E385 E389	E385-E387 VanDerWaalsContact C-N 3.33Å; E385-E387 PolarHBondContact O-N 3.42Å; E387-E389 PolarHBondContact O-N 2.86Å
388	E	37.4	Very low	33.7	Very low	96 Å²	96	130.8 Å²	130.8	45%	0.449	71%	0.712	S	S	.	*			trans	-85.1	97.8	171.2	-169.8	174.1	-118	0	0	108.6	D386 G390 R564	D386-E388 PolarHBondContact O-N 3.36Å; E388-G390 PolarHBondContact O-N 2.95Å; E388-R564 IonicContact OE2-CZ 2.89Å; E388-R564 IonicContact OE2-NE 3.69Å; E388-R564 IonicContact OE2-NH2 2.77Å; E388-R564 PolarHBondContact OE2-NH2 2.93Å
389	E	33.1	Very low	33.6	Very low	192 Å²	192	133.5 Å²	133.5	90%	0.897	71%	0.709	S	S	*	*			trans	-55.2	103.5	-176.9	-76.5	-169.8	176.5	0	0	112.7	E387	E387-E389 PolarHBondContact O-N 2.86Å
390	G	30.7	Very low	33.6	Very low	74 Å²	74	137.1 Å²	137.1	76%	0.763	73%	0.725	S	S	*	*			trans	-97	95.9	165.7	0	0	0	0	0	110.2	E388 E392	E388-G390 PolarHBondContact O-N 2.95Å; G390-E392 PolarHBondContact O-N 3.19Å; G390-E392 VanDerWaalsContact O-N 3.16Å
391	A	29	Very low	33.4	Very low	105 Å²	105	138.4 Å²	138.4	87%	0.868	73%	0.726	S	S	*	*			trans	-73.5	103.4	-178.6	0	0	0	0	0	112.4
392	E	31.1	Very low	33.3	Very low	178 Å²	178	139.8 Å²	139.8	83%	0.832	73%	0.729	S	S	*	*			trans	-140.5	131.5	163.3	-117.3	174.5	-160.5	0	0	108.8	G390	G390-E392 PolarHBondContact O-N 3.19Å; G390-E392 VanDerWaalsContact O-N 3.16Å
393	N	28.2	Very low	33.1	Very low	175 Å²	175	139.1 Å²	139.1	94%	0.936	73%	0.733	S	S	*	*			trans	-75.4	145.6	-168.8	-63.9	-61.3	0	0	0	113.2
394	G	29.4	Very low	32.6	Very low	74 Å²	74	133.9 Å²	133.9	76%	0.763	73%	0.725	S	S	*	*			trans	179.7	76.2	175.4	0	0	0	0	0	115.2
395	D	27	Very low	32	Very low	143 Å²	143	140.7 Å²	140.7	77%	0.765	76%	0.755	S	S	*	*			trans	-59.9	153.7	159.9	-72.3	-61.7	0	0	0	111.4
396	Q	33.8	Very low	31.4	Very low	137 Å²	137	141.9 Å²	141.9	64%	0.64	76%	0.761	S	S	*	*			cis	-173	-179.8	-25.9	-116.5	-171.2	84.6	0	0	105
397	H	31.9	Very low	30.9	Very low	141 Å²	141	143.8 Å²	143.8	65%	0.653	78%	0.78	S	S	*	*			trans	72.8	146.3	166	-51.1	-70.1	0	0	0	117.3
398	H	31.7	Very low	30.6	Very low	153 Å²	153	144.6 Å²	144.6	71%	0.708	78%	0.783	S	S	*	*			cis	-149.3	176.1	-1.5	-129.8	-8.2	0	0	0	116.1
399	N	29.8	Very low	30.2	Very low	131 Å²	131	143.9 Å²	143.9	70%	0.701	80%	0.802	S	S	*	*			trans	-65.9	161	-166.7	-65.1	-47.5	0	0	0	116.3
400	H	29.2	Very low	30.2	Very low	188 Å²	188	141 Å²	141	87%	0.87	80%	0.797	S	S	*	*			trans	-52.6	145.2	150.6	-100.1	-68.3	0	0	0	111.8
401	H	28.3	Very low	30.2	Very low	180 Å²	180	144.3 Å²	144.3	83%	0.833	80%	0.797	S	S	*	*			trans	-138.1	134.7	153	-126.5	-80.9	0	0	0	110.3
402	K	32.7	Very low	30.3	Very low	187 Å²	187	145 Å²	145	81%	0.813	79%	0.786	S	S	*	*			trans	-81.7	153.5	158.1	-83.7	-171.6	174.3	-174.5	0	109.1
403	P	32.7	Very low	30.4	Very low	128 Å²	128	144 Å²	144	83%	0.831	78%	0.779	S	S	*	*				-118.9	-173.7	110.7	36.5	-35.1	0	0	0	111.8
404	G	27.4	Very low	30.6	Very low	63 Å²	63	141.5 Å²	141.5	65%	0.649	78%	0.775	S	S	*	*			trans	-156.6	172.4	170.8	0	0	0	0	0	110.6
405	E	29.8	Very low	30.5	Very low	196 Å²	196	141.8 Å²	141.8	92%	0.916	78%	0.778	S	S	*	*			trans	65.4	142.7	178.9	-58.4	168.4	-162.1	0	0	114.1
406	E	27.5	Very low	30.7	Very low	191 Å²	191	140.8 Å²	140.8	89%	0.893	78%	0.783	S	S	*	*			cis	-96.1	-145.2	-2.9	-62.3	174.5	-156.5	0	0	110.1
407	S	30.1	Very low	30.4	Very low	109 Å²	109	137.7 Å²	137.7	76%	0.762	79%	0.788	S	S	*	*			cis	-150.3	-135	-4.1	62.5	0	0	0	0	112
408	E	31.3	Very low	30.5	Very low	195 Å²	195	136.3 Å²	136.3	91%	0.911	79%	0.789	S	S	*	*			trans	-114.7	156.8	-167.4	-55.1	178.7	140.8	0	0	113.3
409	G	30	Very low	30.6	Very low	81 Å²	81	136.9 Å²	136.9	84%	0.835	79%	0.792	S	S	*	*			trans	176.5	113.2	170.6	0	0	0	0	0	114.1
410	V	32.2	Very low	30.8	Very low	131 Å²	131	138.5 Å²	138.5	79%	0.794	80%	0.796	S	S	*	*			trans	-102.3	146	-171.3	-89.4	0	0	0	0	115.2
411	D	31.8	Very low	30.9	Very low	144 Å²	144	135.4 Å²	135.4	77%	0.77	79%	0.79	S	S	*	*			trans	63.2	140.9	142	-62.1	-32	0	0	0	124.5
412	D	30.8	Very low	30.9	Very low	119 Å²	119	130.1 Å²	130.1	64%	0.636	78%	0.784	S	S	*	*			trans	92.8	115.7	134.2	-96.7	9	0	0	0	125.7
413	K	33.6	Very low	30.9	Very low	158 Å²	158	127.2 Å²	127.2	69%	0.687	79%	0.788	S	S	*	*				60.3	110	127.4	-71	-179.8	-171.2	77.8	0	122.9
414	S	30.9	Very low	30.9	Very low	122 Å²	122	125.8 Å²	125.8	85%	0.853	78%	0.78	S	S	*	*				69.5	125.6	111.7	-55.4	0	0	0	0	123
415	G	28.8	Very low	30.9	Very low	80 Å²	80	132.1 Å²	132.1	83%	0.825	79%	0.793	S	S	*	*			trans	96.8	168.2	152.3	0	0	0	0	0	116.3
416	S	29.8	Very low	30.8	Very low	123 Å²	123	126.6 Å²	126.6	86%	0.86	79%	0.788	S	S	*	*			cis	-171	133.2	-17.8	179.3	0	0	0	0	110.8
417	G	28.2	Very low	31.2	Very low	72 Å²	72	128.6 Å²	128.6	74%	0.742	79%	0.788	S	S	*	*			trans	69.1	179	171.8	0	0	0	0	0	115.4
418	T	33.1	Very low	31.3	Very low	111 Å²	111	129.2 Å²	129.2	68%	0.681	79%	0.789	S	S	*	*			cis	-150	124.5	-0.8	51.8	0	0	0	0	107.8
419	E	34.6	Very low	31.4	Very low	166 Å²	166	124.5 Å²	124.5	78%	0.776	78%	0.778	S	S	*	*				97.9	143.5	91.6	-76.1	171.7	-141.9	0	0	115.7
420	E	33.7	Very low	32.2	Very low	165 Å²	165	125.8 Å²	125.8	77%	0.771	77%	0.772	S	S	*	*			trans	65.5	146.9	162	-55.1	-76.4	83.9	0	0	119.2
421	T	32.6	Very low	31.9	Very low	122 Å²	122	126.2 Å²	126.2	75%	0.748	77%	0.774	S	S	*	*			cis	-159.5	163.3	-7	16.9	0	0	0	0	112.4
422	G	27.8	Very low	31.8	Very low	69 Å²	69	122.8 Å²	122.8	71%	0.711	77%	0.774	S	S	*	*			trans	97	117	163.6	0	0	0	0	0	115.7
423	S	31.7	Very low	32.7	Very low	127 Å²	127	123.1 Å²	123.1	89%	0.888	78%	0.782	S	S	*	*				58.5	132.5	66.9	-79.1	0	0	0	0	114.9
424	S	32.8	Very low	32.5	Very low	97 Å²	97	124.2 Å²	124.2	68%	0.678	79%	0.794	S	S	*	*			cis	-163.6	159	6.2	49.8	0	0	0	0	113.1
425	E	29	Very low	32.4	Very low	197 Å²	197	121 Å²	121	92%	0.921	78%	0.78	S	S	*	*			trans	63.7	143.2	162.8	-63.4	174.5	153.5	0	0	118.1
426	G	27.4	Very low	32.6	Very low	79 Å²	79	128.9 Å²	128.9	81%	0.814	79%	0.785	S	S	*	*			cis	-161.9	169.7	-1.6	0	0	0	0	0	113.1
427	R	34.5	Very low	32.5	Very low	234 Å²	234	132.6 Å²	132.6	88%	0.883	79%	0.786	S	S	*	*			trans	-100	154.3	176.5	-114.7	-178.5	-174.1	-143.9	2.5	109.2
428	P	32	Very low	32.8	Very low	121 Å²	121	137.1 Å²	137.1	79%	0.786	79%	0.787	S	S	*	*				-151	165.3	71.7	40	-21	0	0	0	117.9
429	S	34.7	Very low	32.6	Very low	97 Å²	97	139 Å²	139	68%	0.678	79%	0.79	S	S	*	*			trans	-101.2	152.6	146.6	-38.6	0	0	0	0	107
430	P	45.9	Very low	32.4	Very low	108 Å²	108	136 Å²	136	70%	0.701	79%	0.785	S	S	*	*				-157	-174.9	74.3	41.8	-21.1	0	0	0	117.1
431	T	26.5	Very low	32.1	Very low	139 Å²	139	138 Å²	138	85%	0.853	79%	0.787	S	S	*	*			trans	68.4	140.6	156.8	42.7	0	0	0	0	120.4
432	G	29.5	Very low	32	Very low	73 Å²	73	140 Å²	140	75%	0.753	79%	0.787	S	S	*	*			trans	-98.8	-140.5	175.1	0	0	0	0	0	112.7
433	P	49	Very low	32.4	Very low	126 Å²	126	142.3 Å²	142.3	82%	0.818	79%	0.79	S	S	*	*			cis	-135.4	136.9	1.4	38.4	-20.1	0	0	0	115.8
434	I	30.7	Very low	32.4	Very low	180 Å²	180	143.9 Å²	143.9	92%	0.923	78%	0.783	S	S	*	*			trans	-148.1	140.5	171.9	-49.3	176.5	0	0	0	107.9
435	G	27.5	Very low	32.7	Very low	55 Å²	55	144.7 Å²	144.7	57%	0.567	79%	0.789	S	S	*	*			cis	172	105.7	-7.6	0	0	0	0	0	109.3	F437	G435-F437 PolarHBondContact O-N 3.01Å; G435-F437 VanDerWaalsContact O-N 3.1Å
436	R	34.8	Very low	33	Very low	246 Å²	246	144.6 Å²	144.6	93%	0.928	79%	0.786	S	S	*	*			trans	-74.5	98.4	-172.3	-77.9	-171.1	176.3	-165.4	0	112.4	H438	R436-H438 PolarHBondContact O-N 2.95Å
437	F	26.9	Very low	33.6	Very low	200 Å²	200	143.6 Å²	143.6	88%	0.877	78%	0.776	S	S	*	*			trans	-81.2	90.3	161.7	-83.6	-82.5	0	0	0	110.8	G435	G435-F437 PolarHBondContact O-N 3.01Å; G435-F437 VanDerWaalsContact O-N 3.1Å
438	H	35.4	Very low	34.3	Very low	167 Å²	167	138.3 Å²	138.3	77%	0.773	77%	0.765	S	S	*	*			trans	-92.5	91.1	167	-150.3	-70.4	0	0	0	108	R436	R436-H438 PolarHBondContact O-N 2.95Å
439	M	27.1	Very low	35.4	Very low	152 Å²	152	136.9 Å²	136.9	75%	0.749	75%	0.751	S	S	*	*			trans	-75.2	133.5	169.6	-90.8	-64.3	-67.3	0	0	109.3	Y441	M439-Y441 PolarHBondContact O-N 3.03Å
440	P	31.8	Very low	36.6	Very low	101 Å²	101	138.4 Å²	138.4	66%	0.656	75%	0.751	S	S	*	*			trans	-66.4	131.8	172.8	-16.6	30.7	0	0	0	110.1
441	Y	27.5	Very low	37.4	Very low	207 Å²	207	137.8 Å²	137.8	81%	0.812	74%	0.735	S	S	*	*			trans	-92.4	105.5	162.5	-152.8	-96.4	0	0	0	106.4	M439	M439-Y441 PolarHBondContact O-N 3.03Å
442	E	29	Very low	39.5	Very low	164 Å²	164	134.8 Å²	134.8	77%	0.766	72%	0.716	S	S	*	*			trans	-69.5	136.9	167.8	-63.8	-153.1	137.4	0	0	108.4	E444	E442-E444 PolarHBondContact O-N 3.48Å; E442-E444 VanDerWaalsContact O-N 3.14Å
443	P	36.3	Very low	41.6	Very low	119 Å²	119	131.3 Å²	131.3	77%	0.773	68%	0.681	S	S	*	*			trans	-69.4	111.5	172.3	28.6	-31.7	0	0	0	108.4	S445	P443-S445 PolarHBondContact O-N 3.17Å
444	E	32.8	Very low	42.6	Very low	159 Å²	159	132.7 Å²	132.7	74%	0.743	68%	0.68	S	S	*	*			trans	-55.6	133.8	167	-68.7	-172.9	141.2	0	0	109	E442 F446	E442-E444 PolarHBondContact O-N 3.48Å; E442-E444 VanDerWaalsContact O-N 3.14Å; E444-F446 PolarHBondContact O-N 2.99Å
445	S	37.9	Very low	44.5	Very low	114 Å²	114	128.8 Å²	128.8	80%	0.797	67%	0.666	S	S	*	*			trans	-69.1	90.5	-172.3	-172.6	0	0	0	0	110.8	P443 G447	P443-S445 PolarHBondContact O-N 3.17Å; S445-G447 PolarHBondContact O-N 2.87Å; S445-G447 VanDerWaalsContact O-N 3.13Å
446	F	36.9	Very low	46.8	Very low	196 Å²	196	128.4 Å²	128.4	86%	0.86	65%	0.654	S	S	*	*			trans	-53.6	119.1	164.1	-82.6	-90.7	0	0	0	108.5	E444 D448	E444-F446 PolarHBondContact O-N 2.99Å; F446-D448 PolarHBondContact O-N 3.09Å
447	G	39.6	Very low	48.5	Very low	58 Å²	58	123.3 Å²	123.3	60%	0.598	65%	0.645	S	S	*	*			trans	-61.1	136.6	-173.3	0	0	0	0	0	112	S445 N449	S445-G447 PolarHBondContact O-N 2.87Å; S445-G447 VanDerWaalsContact O-N 3.13Å; G447-N449 PolarHBondContact O-N 2.97Å
448	D	48.4	Very low	50.7	Low	123 Å²	123	119.3 Å²	119.3	66%	0.658	63%	0.627	S	S	*	*			trans	-63.1	105.9	178.5	-60.7	-65.6	0	0	0	110.3	F446 L450	F446-D448 PolarHBondContact O-N 3.09Å; D448-L450 HydrophobicContact CB-CD1 4.4Å; D448-L450 HydrophobicContact CB-CD2 4.27Å; D448-L450 HydrophobicContact CB-CG 3.91Å; D448-L450 PolarHBondContact O-N 2.91Å
449	N	55	Low	52.5	Low	91 Å²	91	112.9 Å²	112.9	49%	0.487	61%	0.606	S	S	.	*			trans	-72.7	75.2	168.6	-80.6	-20.9	0	0	0	109.3	G447 Y451 F460 P461	G447-N449 PolarHBondContact O-N 2.97Å; N449-Y451 PolarHBondContact O-N 3.36Å; N449-F460 CarbonylContact C-O 3.39Å; N449-F460 WeakPolarHBondContact CA-O 3.47Å; N449-P461 WeakPolarHBondContact OD1-CD 3.34Å
450	L	59.4	Low	54.9	Low	129 Å²	129	107.3 Å²	107.3	68%	0.675	58%	0.578	S	S	*	*			trans	-64.9	-14	-174.4	-72.7	160.9	0	0	0	114.1	D448 F460	D448-L450 HydrophobicContact CB-CD1 4.4Å; D448-L450 HydrophobicContact CB-CD2 4.27Å; D448-L450 HydrophobicContact CB-CG 3.91Å; D448-L450 PolarHBondContact O-N 2.91Å; L450-F460 PolarHBondContact N-O 3.32Å
451	Y	63.2	Low	56.8	Low	95 Å²	95	105.8 Å²	105.8	37%	0.373	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.2	127.8	-173.3	-62	-84	0	0	0	109.9	N449 G459 F460 S462 L466	N449-Y451 PolarHBondContact O-N 3.36Å; Y451-G459 CarbonylContact O-C 3.51Å; Y451-G459 WeakPolarHBondContact O-CA 3.11Å; Y451-F460 PolarHBondContact N-O 2.92Å; Y451-F460 PolarHBondContact O-N 3.49Å; Y451-S462 VanDerWaalsContact CD2-C 3.47Å; Y451-L466 HydrophobicContact CD1-CD2 4.41Å
452	V	71.3	Confident	58.9	Low	75 Å²	75	97.2 Å²	97.2	46%	0.455	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.7	-177.8	-177.5	0	0	0	0	110.3	I454 K458	V452-I454 PolarHBondContact O-N 3.39Å; V452-K458 WeakPolarHBondContact CA-O 3.4Å
453	C	74.1	Confident	60.6	Low	1 Å²	1	91.7 Å²	91.7	1%	0.007	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	104.6	179.5	-167	0	0	0	0	110.8	P455 C456 D457 K458 F460 L466 H469	C453-P455 VanDerWaalsContact C-CD 3.5Å; C453-C456 PolarHBondContact O-N 3.41Å; C453-D457 PolarHBondContact O-N 3.34Å; C453-K458 PolarHBondContact N-O 3.4Å; C453-F460 HydrophobicContact CB-CE2 4.07Å; C453-L466 HydrophobicContact CB-CD1 3.49Å; C453-L466 VanDerWaalsContact CB-CD1 3.49Å; C453-H469 VanDerWaalsContact SG-CD2 3.56Å
454	I	69.3	Low	62.4	Low	155 Å²	155	93.2 Å²	93.2	80%	0.795	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-37.7	-172.4	-59.8	171.8	0	0	0	113.9	V452 C456	V452-I454 PolarHBondContact O-N 3.39Å; I454-C456 VanDerWaalsContact C-N 3.26Å; I454-C456 PolarHBondContact O-N 3.41Å
455	P	71.3	Confident	64	Low	98 Å²	98	90.6 Å²	90.6	64%	0.636	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-17	176.2	-25.7	36	0	0	0	116	C453	C453-P455 VanDerWaalsContact C-CD 3.5Å
456	C	75.3	Confident	66	Low	47 Å²	47	86.3 Å²	86.3	32%	0.318	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.2	5.6	-169.2	70.7	0	0	0	0	116.3	C453 I454 K458 H469	C453-C456 PolarHBondContact O-N 3.41Å; I454-C456 VanDerWaalsContact C-N 3.26Å; I454-C456 PolarHBondContact O-N 3.41Å; C456-K458 PolarHBondContact O-N 3.06Å; C456-H469 PolarHBondContact SG-NE2 3.45Å
457	D	69.8	Low	67.7	Low	138 Å²	138	80.9 Å²	80.9	74%	0.738	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	20.2	-178.4	-71.5	-31.8	0	0	0	115.9	C453 G459	C453-D457 PolarHBondContact O-N 3.34Å; D457-G459 PolarHBondContact O-N 2.98Å
458	K	74	Confident	69.5	Low	117 Å²	117	80.8 Å²	80.8	51%	0.509	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	124	173.6	-69.7	179.1	-175.1	171.8	0	110.4	V452 C453 C456 F460	V452-K458 WeakPolarHBondContact CA-O 3.4Å; C453-K458 PolarHBondContact N-O 3.4Å; C456-K458 PolarHBondContact O-N 3.06Å; K458-F460 HydrophobicContact CB-CE2 3.59Å; K458-F460 HydrophobicContact CB-CZ 3.89Å; K458-F460 VanDerWaalsContact O-CD2 3.32Å; K458-F460 WeakPolarHBondContact O-CD2 3.27Å; K458-F460 VanDerWaalsContact O-CE2 3.27Å; K458-F460 WeakPolarHBondContact O-CE2 3.42Å
459	G	72	Confident	71	Confident	32 Å²	32	76.3 Å²	76.3	33%	0.33	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	140.5	175.1	0	0	0	0	0	112.9	Y451 D457	Y451-G459 CarbonylContact O-C 3.51Å; Y451-G459 WeakPolarHBondContact O-CA 3.11Å; D457-G459 PolarHBondContact O-N 2.98Å
460	F	77.6	Confident	71.9	Confident	35 Å²	35	74.9 Å²	74.9	15%	0.154	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.8	-176.4	-62.1	-90.5	0	0	0	111.1	N449 L450 Y451 C453 K458 Q465 L466 H469	N449-F460 CarbonylContact C-O 3.39Å; N449-F460 WeakPolarHBondContact CA-O 3.47Å; L450-F460 PolarHBondContact N-O 3.32Å; Y451-F460 PolarHBondContact N-O 2.92Å; Y451-F460 PolarHBondContact O-N 3.49Å; C453-F460 HydrophobicContact CB-CE2 4.07Å; K458-F460 HydrophobicContact CB-CE2 3.59Å; K458-F460 HydrophobicContact CB-CZ 3.89Å; K458-F460 VanDerWaalsContact O-CD2 3.32Å; K458-F460 WeakPolarHBondContact O-CD2 3.27Å; K458-F460 VanDerWaalsContact O-CE2 3.27Å; K458-F460 WeakPolarHBondContact O-CE2 3.42Å; F460-Q465 HydrophobicContact CB-CB 4.29Å; F460-Q465 HydrophobicContact CD1-CB 3.93Å; F460-Q465 HydrophobicContact CG-CB 4.46Å; F460-L466 HydrophobicContact CB-CB 4.41Å; F460-L466 HydrophobicContact CD2-CB 4.3Å; F460-L466 HydrophobicContact CD2-CD1 3.96Å; F460-L466 HydrophobicContact CE2-CD1 4.2Å; F460-L466 HydrophobicContact CG-CB 4.47Å; F460-H469 HydrophobicContact CE1-CB 4.1Å; F460-H469 HydrophobicContact CE2-CB 4.19Å; F460-H469 AromaticContact CE2-CD2 3.56Å; F460-H469 HydrophobicContact CZ-CB 3.62Å; F460-H469 AromaticContact CZ-CD2 3.37Å; F460-H469 WeakPolarHBondContact CZ-CD2 3.19Å; F460-H469 AromaticContact CZ-CG 3.6Å
461	P	71.3	Confident	72.5	Confident	69 Å²	69	74.1 Å²	74.1	45%	0.448	41%	0.406	S	S	.	.	S	Bend	trans	-80.3	-12.9	179.7	32.2	-36.7	0	0	0	114.1	N449	N449-P461 WeakPolarHBondContact OD1-CD 3.34Å
462	S	72.3	Confident	72.9	Confident	27 Å²	27	73 Å²	73	19%	0.189	41%	0.409	C	S	.	.	S	Bend	trans	-140	154.3	173	91.6	0	0	0	0	113	Y451 E464 Q465 L466	Y451-S462 VanDerWaalsContact CD2-C 3.47Å; S462-E464 PolarHBondContact O-N 3.4Å; S462-E464 PolarHBondContact OG-N 2.88Å; S462-E464 PolarHBondContact OG-OE2 3.5Å; S462-Q465 PolarHBondContact O-N 3Å; S462-Q465 PolarHBondContact OG-N 3.24Å; S462-L466 PolarHBondContact O-N 3.4Å; S462-L466 VanDerWaalsContact O-N 3.09Å
463	S	65.6	Low	72.7	Confident	47 Å²	47	72 Å²	72	33%	0.329	40%	0.4	S	S	.	.	H	α-helix	trans	-65	-24.5	176.3	-165.4	0	0	0	0	112.8	L466 N467	S463-L466 PolarHBondContact O-N 2.96Å; S463-N467 WeakPolarHBondContact O-CB 3.31Å; S463-N467 PolarHBondContact O-N 3.49Å; S463-N467 PolarHBondContact O-OD1 3.23Å
464	E	72.8	Confident	71.9	Confident	152 Å²	152	76.2 Å²	76.2	71%	0.71	43%	0.426	S	S	*	.	H	α-helix	trans	-73	-39.7	179	-60.1	148.6	149.1	0	0	110.3	S462 N467 A468	S462-E464 PolarHBondContact O-N 3.4Å; S462-E464 PolarHBondContact OG-N 2.88Å; S462-E464 PolarHBondContact OG-OE2 3.5Å; E464-N467 PolarHBondContact O-N 3.37Å; E464-A468 WeakPolarHBondContact O-CB 3.5Å; E464-A468 PolarHBondContact O-N 3Å
465	Q	67.3	Low	71	Confident	103 Å²	103	76.2 Å²	76.2	48%	0.481	42%	0.422	S	S	.	.	H	α-helix	trans	-70.6	-33.3	173.6	-64.3	179.6	12.7	0	0	111.9	F460 S462 H469	F460-Q465 HydrophobicContact CB-CB 4.29Å; F460-Q465 HydrophobicContact CD1-CB 3.93Å; F460-Q465 HydrophobicContact CG-CB 4.46Å; S462-Q465 PolarHBondContact O-N 3Å; S462-Q465 PolarHBondContact OG-N 3.24Å; Q465-H469 PolarHBondContact O-N 3.5Å
466	L	79.8	Confident	69.8	Low	24 Å²	24	79.5 Å²	79.5	13%	0.126	43%	0.429	C	S	.	.	H	α-helix	trans	-64	-49.9	168.9	175.3	61.1	0	0	0	111.1	Y451 C453 F460 S462 S463 A468 H469 V470	Y451-L466 HydrophobicContact CD1-CD2 4.41Å; C453-L466 HydrophobicContact CB-CD1 3.49Å; C453-L466 VanDerWaalsContact CB-CD1 3.49Å; F460-L466 HydrophobicContact CB-CB 4.41Å; F460-L466 HydrophobicContact CD2-CB 4.3Å; F460-L466 HydrophobicContact CD2-CD1 3.96Å; F460-L466 HydrophobicContact CE2-CD1 4.2Å; F460-L466 HydrophobicContact CG-CB 4.47Å; S462-L466 PolarHBondContact O-N 3.4Å; S462-L466 VanDerWaalsContact O-N 3.09Å; S463-L466 PolarHBondContact O-N 2.96Å; L466-A468 PolarHBondContact O-N 2.92Å; L466-H469 CarbonylContact O-C 3.25Å; L466-H469 WeakPolarHBondContact O-CA 3.25Å; L466-H469 WeakPolarHBondContact O-CB 3.37Å; L466-H469 PolarHBondContact O-N 3.14Å; L466-V470 HydrophobicContact CD1-CG2 3.83Å; L466-V470 HydrophobicContact CG-CG2 4.1Å; L466-V470 WeakPolarHBondContact O-CG2 3.23Å; L466-V470 PolarHBondContact O-N 2.89Å
467	N	72.8	Confident	68.2	Low	83 Å²	83	85.9 Å²	85.9	44%	0.444	45%	0.454	S	S	.	.	H	α-helix	trans	-61.3	-47.4	-177.4	-74.9	10.3	0	0	0	111.9	S463 E464 H469 V470 E471	S463-N467 WeakPolarHBondContact O-CB 3.31Å; S463-N467 PolarHBondContact O-N 3.49Å; S463-N467 PolarHBondContact O-OD1 3.23Å; E464-N467 PolarHBondContact O-N 3.37Å; N467-H469 PolarHBondContact O-N 2.92Å; N467-H469 VanDerWaalsContact O-N 3.14Å; N467-V470 PolarHBondContact O-N 3.1Å; N467-E471 WeakPolarHBondContact O-CG 3.29Å; N467-E471 PolarHBondContact O-N 3.33Å
468	A	77.9	Confident	66.6	Low	56 Å²	56	86.1 Å²	86.1	46%	0.463	45%	0.454	S	S	.	.	H	α-helix	trans	-60.2	-24.4	175	0	0	0	0	0	113	E464 L466	E464-A468 WeakPolarHBondContact O-CB 3.5Å; E464-A468 PolarHBondContact O-N 3Å; L466-A468 PolarHBondContact O-N 2.92Å
469	H	80.1	Confident	64.7	Low	28 Å²	28	90.7 Å²	90.7	13%	0.13	47%	0.47	C	S	.	.	H	α-helix	trans	-83.1	-39.4	169.2	-179.3	38.2	0	0	0	112.9	C453 C456 F460 Q465 L466 N467 E471 T472 H473	C453-H469 VanDerWaalsContact SG-CD2 3.56Å; C456-H469 PolarHBondContact SG-NE2 3.45Å; F460-H469 HydrophobicContact CE1-CB 4.1Å; F460-H469 HydrophobicContact CE2-CB 4.19Å; F460-H469 AromaticContact CE2-CD2 3.56Å; F460-H469 HydrophobicContact CZ-CB 3.62Å; F460-H469 AromaticContact CZ-CD2 3.37Å; F460-H469 WeakPolarHBondContact CZ-CD2 3.19Å; F460-H469 AromaticContact CZ-CG 3.6Å; Q465-H469 PolarHBondContact O-N 3.5Å; L466-H469 CarbonylContact O-C 3.25Å; L466-H469 WeakPolarHBondContact O-CA 3.25Å; L466-H469 WeakPolarHBondContact O-CB 3.37Å; L466-H469 PolarHBondContact O-N 3.14Å; N467-H469 PolarHBondContact O-N 2.92Å; N467-H469 VanDerWaalsContact O-N 3.14Å; H469-E471 VanDerWaalsContact C-N 3.26Å; H469-E471 PolarHBondContact O-N 3.1Å; H469-T472 PolarHBondContact ND1-OG1 3.48Å; H469-T472 PolarHBondContact O-N 3.48Å; H469-T472 PolarHBondContact O-OG1 3.39Å; H469-H473 AromaticContact CD2-NE2 3.89Å; H469-H473 AromaticContact CE1-CD2 3.81Å; H469-H473 AromaticContact CE1-NE2 3.15Å; H469-H473 PolarHBondContact CE1-NE2 2.99Å; H469-H473 AromaticContact ND1-NE2 3.99Å; H469-H473 AromaticContact NE2-CD2 3.97Å; H469-H473 AromaticContact NE2-NE2 3.06Å; H469-H473 PolarHBondContact NE2-NE2 3.32Å; H469-H473 PolarHBondContact O-CD2 2.99Å; H469-H473 VanDerWaalsContact O-CD2 3.28Å
470	V	72.6	Confident	62.6	Low	61 Å²	61	95.2 Å²	95.2	37%	0.37	50%	0.497	S	S	.	.	H	α-helix	trans	-60.1	-38.6	175.7	170.8	0	0	0	0	110.9	L466 N467 T472 H473 T474	L466-V470 HydrophobicContact CD1-CG2 3.83Å; L466-V470 HydrophobicContact CG-CG2 4.1Å; L466-V470 WeakPolarHBondContact O-CG2 3.23Å; L466-V470 PolarHBondContact O-N 2.89Å; N467-V470 PolarHBondContact O-N 3.1Å; V470-T472 VanDerWaalsContact C-N 3.26Å; V470-T472 PolarHBondContact O-N 3.39Å; V470-H473 WeakPolarHBondContact O-CB 3.48Å; V470-H473 PolarHBondContact O-N 3.19Å; V470-T474 PolarHBondContact O-N 2.91Å
471	E	73.1	Confident	60.3	Low	114 Å²	114	98.7 Å²	98.7	53%	0.533	53%	0.526	S	S	.	.	H	α-helix	trans	-55.6	-38.9	173	-73.7	161.1	-167	0	0	111.7	N467 H469 H473 T474 E475	N467-E471 WeakPolarHBondContact O-CG 3.29Å; N467-E471 PolarHBondContact O-N 3.33Å; H469-E471 VanDerWaalsContact C-N 3.26Å; H469-E471 PolarHBondContact O-N 3.1Å; E471-H473 PolarHBondContact O-N 3.43Å; E471-T474 PolarHBondContact O-N 3.39Å; E471-T474 PolarHBondContact O-OG1 2.96Å; E471-E475 PolarHBondContact O-N 3.05Å
472	T	71.4	Confident	58.3	Low	70 Å²	70	102.6 Å²	102.6	43%	0.429	55%	0.548	S	S	.	.	H	α-helix	trans	-66.2	-17.2	175.1	63.5	0	0	0	0	115	H469 V470	H469-T472 PolarHBondContact ND1-OG1 3.48Å; H469-T472 PolarHBondContact O-N 3.48Å; H469-T472 PolarHBondContact O-OG1 3.39Å; V470-T472 VanDerWaalsContact C-N 3.26Å; V470-T472 PolarHBondContact O-N 3.39Å
473	H	66.8	Low	56.1	Low	55 Å²	55	104.2 Å²	104.2	26%	0.255	57%	0.568	S	S	.	*	H	α-helix	trans	-81.5	-26.5	169	-63.6	-100.4	0	0	0	111.9	H469 V470 E471	H469-H473 AromaticContact CD2-NE2 3.89Å; H469-H473 AromaticContact CE1-CD2 3.81Å; H469-H473 AromaticContact CE1-NE2 3.15Å; H469-H473 PolarHBondContact CE1-NE2 2.99Å; H469-H473 AromaticContact ND1-NE2 3.99Å; H469-H473 AromaticContact NE2-CD2 3.97Å; H469-H473 AromaticContact NE2-NE2 3.06Å; H469-H473 PolarHBondContact NE2-NE2 3.32Å; H469-H473 PolarHBondContact O-CD2 2.99Å; H469-H473 VanDerWaalsContact O-CD2 3.28Å; V470-H473 WeakPolarHBondContact O-CB 3.48Å; V470-H473 PolarHBondContact O-N 3.19Å; E471-H473 PolarHBondContact O-N 3.43Å
474	T	57.3	Low	54.3	Low	90 Å²	90	110.7 Å²	110.7	55%	0.552	59%	0.594	S	S	*	*	H	α-helix	trans	-78.8	-17.4	-178.7	63.5	0	0	0	0	113.9	V470 E471	V470-T474 PolarHBondContact O-N 2.91Å; E471-T474 PolarHBondContact O-N 3.39Å; E471-T474 PolarHBondContact O-OG1 2.96Å
475	E	50.6	Low	52.1	Low	155 Å²	155	112 Å²	112	72%	0.724	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-22.7	175.6	-64.2	-171.4	162	0	0	113.1	E471	E471-E475 PolarHBondContact O-N 3.05Å
476	E	46.7	Very low	50.2	Low	166 Å²	166	111 Å²	111	78%	0.776	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-78.8	-24.2	-179.2	-67.7	-165.2	140.4	0	0	113.9	L478	E476-L478 VanDerWaalsContact C-N 3.34Å; E476-L478 PolarHBondContact O-N 3.43Å
477	E	40.8	Very low	47.6	Very low	182 Å²	182	116.9 Å²	116.9	85%	0.85	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-80.7	-4	-178.2	-69.5	-153.6	135.6	0	0	115.1
478	L	37.1	Very low	45.5	Very low	142 Å²	142	118.3 Å²	118.3	74%	0.743	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-100.8	3.9	-173	-105.5	167.9	0	0	0	116.3	E476	E476-L478 VanDerWaalsContact C-N 3.34Å; E476-L478 PolarHBondContact O-N 3.43Å
479	Y	33.2	Very low	43.1	Very low	213 Å²	213	122.5 Å²	122.5	84%	0.835	67%	0.674	S	S	*	*	S	Bend	trans	-137	74.3	177.9	-92.9	-82	0	0	0	114.1
480	S	28.8	Very low	40.6	Very low	128 Å²	128	128.1 Å²	128.1	90%	0.895	71%	0.705	S	S	*	*			trans	-161	70.7	162.2	-86.7	0	0	0	0	115.4
481	S	28.6	Very low	38.5	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	72%	0.724	S	S	*	*			trans	-164.4	132.3	151.5	65.6	0	0	0	0	113.4
482	V	28.2	Very low	36.2	Very low	150 Å²	150	128.4 Å²	128.4	91%	0.909	73%	0.733	S	S	*	*			trans	65.1	141.4	170	-162.5	0	0	0	0	114.9
483	G	26.7	Very low	34.1	Very low	61 Å²	61	131.1 Å²	131.1	63%	0.629	75%	0.75	S	S	*	*			cis	157.2	114.5	-8.9	0	0	0	0	0	112.2
484	E	27.2	Very low	32.3	Very low	183 Å²	183	138.7 Å²	138.7	86%	0.855	78%	0.782	S	S	*	*			trans	61.3	132	167	-58.4	-166.2	111.9	0	0	121.8
485	M	28.2	Very low	30.7	Very low	179 Å²	179	137.6 Å²	137.6	88%	0.882	79%	0.788	S	S	*	*			trans	32.9	114.3	147.2	-76.4	56	172.3	0	0	121.5
486	G	26.1	Very low	29.5	Very low	84 Å²	84	138.9 Å²	138.9	87%	0.866	80%	0.798	S	S	*	*			trans	-158.7	117.8	164.3	0	0	0	0	0	113.5
487	N	26.6	Very low	28.4	Very low	146 Å²	146	134.6 Å²	134.6	78%	0.781	80%	0.799	S	S	*	*			trans	-87.7	156.7	-161.8	-138.7	-0.2	0	0	0	115.6
488	N	27.3	Very low	27.7	Very low	114 Å²	114	129.2 Å²	129.2	61%	0.61	79%	0.792	S	S	*	*			trans	73.2	125.8	151.6	-68	-36	0	0	0	123.4
489	N	27.7	Very low	27.2	Very low	143 Å²	143	129.8 Å²	129.8	77%	0.765	80%	0.796	S	S	*	*				56	145.7	127.5	-48.2	-30	0	0	0	120.4
490	N	27.3	Very low	27	Very low	146 Å²	146	124.7 Å²	124.7	78%	0.781	79%	0.787	S	S	*	*			cis	-157.5	168.9	23.8	-161.7	0.7	0	0	0	113.4
491	S	29.1	Very low	27	Very low	111 Å²	111	125.1 Å²	125.1	78%	0.776	78%	0.78	S	S	*	*			trans	-38.2	151.3	169.3	-43.1	0	0	0	0	117.9
492	G	25	Very low	26.9	Very low	70 Å²	70	123.9 Å²	123.9	72%	0.722	78%	0.783	S	S	*	*			trans	-172	38.6	177.9	0	0	0	0	0	122
493	T	26.9	Very low	26.7	Very low	128 Å²	128	126.5 Å²	126.5	79%	0.785	78%	0.778	S	S	*	*			trans	36.3	129.7	150.4	55.4	0	0	0	0	123.9
494	K	28.3	Very low	26.6	Very low	213 Å²	213	127.2 Å²	127.2	93%	0.926	79%	0.786	S	S	*	*			trans	38.3	126.2	138.3	-61.1	176.9	176	177.7	0	119
495	G	24.1	Very low	26.7	Very low	67 Å²	67	123.8 Å²	123.8	69%	0.691	78%	0.782	S	S	*	*			cis	133.6	171	31.9	0	0	0	0	0	110.7
496	I	25.6	Very low	26.8	Very low	182 Å²	182	122.1 Å²	122.1	93%	0.933	78%	0.776	S	S	*	*			trans	65.4	126.2	173.7	-47.1	173	0	0	0	114.4
497	G	24.4	Very low	26.8	Very low	76 Å²	76	124.3 Å²	124.3	78%	0.784	77%	0.768	S	S	*	*			cis	138.9	129.7	6	0	0	0	0	0	110.3
498	G	25.7	Very low	26.9	Very low	69 Å²	69	122.4 Å²	122.4	71%	0.711	77%	0.766	S	S	*	*			trans	164.5	97	179.8	0	0	0	0	0	114.1
499	N	27.1	Very low	27.1	Very low	154 Å²	154	121.7 Å²	121.7	82%	0.824	77%	0.77	S	S	*	*				49.6	136.7	116.8	-71.3	11	0	0	0	119.8
500	T	28.3	Very low	27.1	Very low	107 Å²	107	122.2 Å²	122.2	66%	0.656	77%	0.773	S	S	*	*			cis	-162.9	151.3	22	8.5	0	0	0	0	113.7
501	N	29.6	Very low	27.1	Very low	137 Å²	137	121 Å²	121	73%	0.733	77%	0.771	S	S	*	*			trans	50.1	125.6	142.7	-59.5	-8.2	0	0	0	122.2	Y503	N501-Y503 HydrophobicContact CB-CE1 4.39Å
502	G	25.3	Very low	27.4	Very low	81 Å²	81	121.8 Å²	121.8	84%	0.835	77%	0.773	S	S	*	*			trans	-173.5	50.6	167.9	0	0	0	0	0	113
503	Y	24.2	Very low	27.4	Very low	205 Å²	205	126.3 Å²	126.3	80%	0.804	78%	0.781	S	S	*	*			trans	-76.4	152.5	-170.6	45.8	-97.4	0	0	0	114	N501	N501-Y503 HydrophobicContact CB-CE1 4.39Å
504	G	24.8	Very low	27.5	Very low	77 Å²	77	125.5 Å²	125.5	79%	0.794	78%	0.781	S	S	*	*			trans	179.9	39.8	-179.6	0	0	0	0	0	119.3
505	S	29.9	Very low	27.6	Very low	110 Å²	110	124.2 Å²	124.2	77%	0.769	78%	0.78	S	S	*	*			trans	-63.9	158.4	169.7	-50.7	0	0	0	0	111.5
506	L	29.7	Very low	27.7	Very low	145 Å²	145	126.8 Å²	126.8	76%	0.759	79%	0.788	S	S	*	*				-173.5	149.8	77.2	-86	170.7	0	0	0	114.3
507	N	26.3	Very low	28	Very low	129 Å²	129	126 Å²	126	69%	0.69	78%	0.779	S	S	*	*			trans	70.6	129.5	153	-59.6	-17.7	0	0	0	119
508	S	27.9	Very low	28.2	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	78%	0.776	S	S	*	*			cis	83.3	138.8	43.2	-56.1	0	0	0	0	112.7
509	S	32.7	Very low	28.2	Very low	98 Å²	98	135 Å²	135	69%	0.685	79%	0.786	S	S	*	*			cis	-150.5	160.8	19.8	-55.2	0	0	0	0	113.1
510	N	26.7	Very low	28.4	Very low	155 Å²	155	132.9 Å²	132.9	83%	0.829	78%	0.779	S	S	*	*				-178.3	89.9	118.3	-90.5	-5.1	0	0	0	113.9
511	T	28	Very low	28.7	Very low	120 Å²	120	137 Å²	137	74%	0.736	79%	0.788	S	S	*	*			trans	8	129.3	150.9	55.1	0	0	0	0	121.6
512	P	34.8	Very low	28.6	Very low	127 Å²	127	135.7 Å²	135.7	83%	0.825	79%	0.79	S	S	*	*			trans	-81.1	147.8	142.9	34.6	-31.2	0	0	0	111.2
513	N	25.7	Very low	28.7	Very low	165 Å²	165	139.4 Å²	139.4	88%	0.882	79%	0.79	S	S	*	*			trans	-84.1	147.3	174.8	-103.7	-3.5	0	0	0	111.9
514	S	28.8	Very low	29.4	Very low	111 Å²	111	138.9 Å²	138.9	78%	0.776	80%	0.795	S	S	*	*			trans	-153.2	164.9	174	-169.2	0	0	0	0	111.9
515	M	30.4	Very low	29.6	Very low	186 Å²	186	138.6 Å²	138.6	92%	0.916	79%	0.792	S	S	*	*			trans	75.5	141.4	-166.6	-58.5	-155.4	-71.8	0	0	113.9
516	S	26.5	Very low	29.8	Very low	122 Å²	122	141.8 Å²	141.8	85%	0.853	80%	0.8	S	S	*	*			cis	-113.8	172.3	34.4	54.7	0	0	0	0	117.4
517	H	30.8	Very low	30.1	Very low	164 Å²	164	143.1 Å²	143.1	76%	0.759	81%	0.808	S	S	*	*			trans	-141.8	150.9	178.3	-162.4	-77.7	0	0	0	108.7
518	L	29.6	Very low	30.2	Very low	137 Å²	137	142.6 Å²	142.6	72%	0.717	81%	0.814	S	S	*	*			trans	63.4	119	-177.3	-59.6	113.8	0	0	0	117.7
519	E	25.5	Very low	30.7	Very low	197 Å²	197	141 Å²	141	92%	0.921	81%	0.814	S	S	*	*				-141.7	152.4	123.9	-124.3	175.2	178.3	0	0	108.3
520	T	30.2	Very low	30.7	Very low	110 Å²	110	142.8 Å²	142.8	68%	0.675	82%	0.822	S	S	*	*			trans	-147.6	146.8	-170	55.4	0	0	0	0	113.9
521	K	34.7	Very low	31.7	Very low	193 Å²	193	143.8 Å²	143.8	84%	0.839	83%	0.825	S	S	*	*			trans	93	148.8	165.2	-62.5	-178.7	171.9	179.1	0	117.9
522	S	28.5	Very low	32.2	Very low	110 Å²	110	141.1 Å²	141.1	77%	0.769	82%	0.821	S	S	*	*			trans	70.6	139.8	168.6	-54.2	0	0	0	0	115.1
523	D	27.7	Very low	32.8	Very low	159 Å²	159	143.1 Å²	143.1	85%	0.85	82%	0.819	S	S	*	*			cis	-120.2	165.5	21.5	-79.7	-50	0	0	0	116.2
524	Q	37.7	Very low	34.1	Very low	194 Å²	194	140.6 Å²	140.6	91%	0.907	80%	0.804	S	S	*	*			trans	-101.5	133.7	166.5	-69	-178.6	-9	0	0	110.9
525	G	29.2	Very low	35.6	Very low	71 Å²	71	141.6 Å²	141.6	73%	0.732	80%	0.799	S	S	*	*			trans	59.8	97.8	145.8	0	0	0	0	0	119.4
526	L	35.3	Very low	37.4	Very low	178 Å²	178	139 Å²	139	93%	0.932	78%	0.779	S	S	*	*			trans	-124.3	123.5	139.5	-77.6	-180	0	0	0	109.7
527	N	35	Very low	39.5	Very low	172 Å²	172	137.2 Å²	137.2	92%	0.92	77%	0.765	S	S	*	*			trans	-79.6	126.2	171.9	-71	-47	0	0	0	109.9
528	S	29	Very low	41.4	Very low	119 Å²	119	134 Å²	134	83%	0.832	75%	0.746	S	S	*	*			trans	-153.2	123.6	146.6	-155.5	0	0	0	0	109.2
529	G	38.6	Very low	43.5	Very low	72 Å²	72	134.7 Å²	134.7	74%	0.742	74%	0.74	S	S	*	*			trans	-83.6	142.4	179.8	0	0	0	0	0	111.7
530	T	32.3	Very low	45.9	Very low	137 Å²	137	125.6 Å²	125.6	84%	0.84	70%	0.698	S	S	*	*			trans	-154.3	138.5	156	-2.3	0	0	0	0	109.3	G532	T530-G532 PolarHBondContact O-N 2.85Å; T530-G532 VanDerWaalsContact O-N 3.16Å
531	I	48.4	Very low	47.9	Very low	176 Å²	176	125.4 Å²	125.4	90%	0.903	70%	0.701	S	S	*	*			trans	-74.9	106.4	175.9	-62.9	170.8	0	0	0	107.2
532	G	37.3	Very low	49.2	Very low	63 Å²	63	120.2 Å²	120.2	65%	0.649	68%	0.682	S	S	*	*			trans	-135.7	97.4	175.2	0	0	0	0	0	108.9	T530 M534	T530-G532 PolarHBondContact O-N 2.85Å; T530-G532 VanDerWaalsContact O-N 3.16Å; G532-M534 PolarHBondContact O-N 3.41Å
533	E	47.4	Very low	51.4	Low	169 Å²	169	116.7 Å²	116.7	79%	0.79	66%	0.658	S	S	*	*			trans	-57.8	127.9	-179.9	-63.2	-176.4	125.6	0	0	110.1	I535	E533-I535 PolarHBondContact O-N 3.47Å
534	M	53.3	Low	53.5	Low	112 Å²	112	115 Å²	115	55%	0.552	65%	0.649	S	S	*	*			trans	-73.7	78.9	171.7	-80.9	-175.1	-86.6	0	0	109.5	G532 R536 K548	G532-M534 PolarHBondContact O-N 3.41Å; M534-R536 WeakPolarHBondContact O-CG 3.44Å; M534-R536 PolarHBondContact O-N 3.43Å; M534-K548 WeakPolarHBondContact SD-CE 3.37Å; M534-K548 PolarHBondContact SD-NZ 3.34Å; M534-K548 VanDerWaalsContact SD-NZ 3.41Å
535	I	61	Low	54.9	Low	133 Å²	133	111.6 Å²	111.6	68%	0.682	63%	0.631	S	S	*	*			trans	-53.8	112.5	165.6	-52.7	179.6	0	0	0	106.6	E533 P537	E533-I535 PolarHBondContact O-N 3.47Å; I535-P537 VanDerWaalsContact C-CD 3.5Å; I535-P537 HydrophobicContact CG2-CB 4.46Å; I535-P537 VanDerWaalsContact O-CD 3.3Å; I535-P537 WeakPolarHBondContact O-CD 3.38Å
536	R	67	Low	57.3	Low	130 Å²	130	110.2 Å²	110.2	49%	0.491	61%	0.61	S	S	.	*			trans	-114.7	74.8	179.3	-78.1	160.1	162.2	154	-6	107.2	M534 Y538 S546 Y547 K548	M534-R536 WeakPolarHBondContact O-CG 3.44Å; M534-R536 PolarHBondContact O-N 3.43Å; R536-Y538 PolarHBondContact O-N 3.43Å; R536-S546 WeakPolarHBondContact CD-O 3.45Å; R536-Y547 CarbonylContact C-O 3.57Å; R536-Y547 VanDerWaalsContact C-O 3.25Å; R536-Y547 WeakPolarHBondContact CA-O 3.49Å; R536-Y547 WeakPolarHBondContact CB-O 3.33Å; R536-K548 HydrophobicContact CG-CG 4.21Å
537	P	70.1	Confident	59.5	Low	86 Å²	86	104.2 Å²	104.2	56%	0.558	58%	0.575	S	S	*	*			trans	-74	-12.1	-167.8	31.7	-33.9	0	0	0	112.5	I535 R539	I535-P537 VanDerWaalsContact C-CD 3.5Å; I535-P537 HydrophobicContact CG2-CB 4.46Å; I535-P537 VanDerWaalsContact O-CD 3.3Å; I535-P537 WeakPolarHBondContact O-CD 3.38Å; P537-R539 PolarHBondContact O-N 3.27Å
538	Y	72.2	Confident	61.6	Low	95 Å²	95	101.4 Å²	101.4	37%	0.373	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.5	78.2	-179	-55	-74.4	0	0	0	110.6	R536 Y547 K548 D549 P550	R536-Y538 PolarHBondContact O-N 3.43Å; Y538-Y547 PolarHBondContact N-O 2.98Å; Y538-Y547 PolarHBondContact O-N 3.44Å; Y538-K548 VanDerWaalsContact CD2-O 3.29Å; Y538-K548 WeakPolarHBondContact CD2-O 3.49Å; Y538-K548 VanDerWaalsContact CE2-O 3.31Å; Y538-K548 WeakPolarHBondContact CE2-O 3.33Å; Y538-D549 VanDerWaalsContact CD2-C 3.47Å; Y538-P550 HydrophobicContact CD1-CB 3.97Å; Y538-P550 HydrophobicContact CE1-CB 3.85Å; Y538-P550 HydrophobicContact CE1-CG 4.2Å; Y538-P550 HydrophobicContact CE2-CG 4.48Å; Y538-P550 HydrophobicContact CG-CB 4.43Å
539	R	73.5	Confident	64	Low	152 Å²	152	99.5 Å²	99.5	57%	0.574	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.8	171.5	-171.9	174.3	-175	160.7	-1.5	110.5	P537 D544 S546	P537-R539 PolarHBondContact O-N 3.27Å; R539-D544 IonicContact CZ-OD1 3.54Å; R539-D544 IonicContact NE-OD1 3.63Å; R539-D544 IonicContact NH2-OD1 2.66Å; R539-D544 PolarHBondContact NH2-OD1 3.25Å; R539-S546 WeakPolarHBondContact CG-OG 3.47Å
540	C	76.6	Confident	65.7	Low	6 Å²	6	99 Å²	99	4%	0.041	52%	0.519	C	S	.	.			trans	-71.5	143	172.7	-171	0	0	0	0	111.4	N542 C543 K545 L553 H560	C540-N542 PolarHBondContact O-N 3.14Å; C540-N542 PolarHBondContact SG-N 3.08Å; C540-N542 VanDerWaalsContact SG-N 3.43Å; C540-C543 WeakPolarHBondContact CB-O 3.34Å; C540-C543 VanDerWaalsContact O-O 3.06Å; C540-K545 PolarHBondContact N-O 3.04Å; C540-L553 HydrophobicContact CB-CD1 3.7Å; C540-H560 VanDerWaalsContact SG-CD2 3.58Å; C540-H560 PolarHBondContact SG-NE2 3.29Å
541	S	70.4	Confident	67.8	Low	107 Å²	107	95.8 Å²	95.8	75%	0.748	51%	0.506	S	S	*	.	S	Bend	trans	-82.3	2.1	175.4	-60.7	0	0	0	0	113.6
542	N	63.8	Low	69.2	Low	83 Å²	83	90.3 Å²	90.3	44%	0.444	48%	0.481	S	S	.	.	S	Bend	trans	-130.9	-0.8	-176.8	-63	148.8	0	0	0	114.9	C540 K574	C540-N542 PolarHBondContact O-N 3.14Å; C540-N542 PolarHBondContact SG-N 3.08Å; C540-N542 VanDerWaalsContact SG-N 3.43Å; N542-K574 VanDerWaalsContact CG-NZ 3.3Å; N542-K574 WeakPolarHBondContact OD1-CE 3.13Å; N542-K574 PolarHBondContact OD1-NZ 2.94Å
543	C	73.2	Confident	71.2	Confident	37 Å²	37	88.2 Å²	88.2	25%	0.25	46%	0.455	C	S	.	.	S	Bend	trans	-161.5	166.7	159.6	72	0	0	0	0	109.8	C540 K545 H556 H560	C540-C543 WeakPolarHBondContact CB-O 3.34Å; C540-C543 VanDerWaalsContact O-O 3.06Å; C543-K545 PolarHBondContact O-N 2.84Å; C543-H556 VanDerWaalsContact SG-CE1 3.58Å; C543-H556 PolarHBondContact SG-NE2 3.33Å; C543-H560 PolarHBondContact SG-NE2 3.16Å
544	D	72	Confident	72.5	Confident	124 Å²	124	88.4 Å²	88.4	66%	0.663	45%	0.449	S	S	*	.	S	Bend	trans	-77	16.2	-174.2	-59.6	-68.5	0	0	0	115.5	R539	R539-D544 IonicContact CZ-OD1 3.54Å; R539-D544 IonicContact NE-OD1 3.63Å; R539-D544 IonicContact NH2-OD1 2.66Å; R539-D544 PolarHBondContact NH2-OD1 3.25Å
545	K	66.4	Low	73.4	Confident	121 Å²	121	88.2 Å²	88.2	53%	0.526	45%	0.446	S	S	.	.			trans	-79.8	129.5	176.7	-61.3	-175.1	-179.9	-173.6	0	110.2	C540 C543 Y547	C540-K545 PolarHBondContact N-O 3.04Å; C543-K545 PolarHBondContact O-N 2.84Å; K545-Y547 HydrophobicContact CB-CE2 3.71Å; K545-Y547 WeakPolarHBondContact CB-OH 3.25Å; K545-Y547 WeakPolarHBondContact O-CE2 3.33Å
546	S	79.8	Confident	74.1	Confident	43 Å²	43	82.9 Å²	82.9	30%	0.301	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.6	-177.8	-62	0	0	0	0	112.3	R536 R539	R536-S546 WeakPolarHBondContact CD-O 3.45Å; R539-S546 WeakPolarHBondContact CG-OG 3.47Å
547	Y	81.8	Confident	74.3	Confident	51 Å²	51	78.5 Å²	78.5	20%	0.2	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.9	-167.2	-64.4	-90	0	0	0	112.2	R536 Y538 K545 L553 H556	R536-Y547 CarbonylContact C-O 3.57Å; R536-Y547 VanDerWaalsContact C-O 3.25Å; R536-Y547 WeakPolarHBondContact CA-O 3.49Å; R536-Y547 WeakPolarHBondContact CB-O 3.33Å; Y538-Y547 PolarHBondContact N-O 2.98Å; Y538-Y547 PolarHBondContact O-N 3.44Å; K545-Y547 HydrophobicContact CB-CE2 3.71Å; K545-Y547 WeakPolarHBondContact CB-OH 3.25Å; K545-Y547 WeakPolarHBondContact O-CE2 3.33Å; Y547-L553 HydrophobicContact CD2-CB 4.25Å; Y547-L553 HydrophobicContact CD2-CD1 3.93Å; Y547-L553 HydrophobicContact CE2-CD1 4.4Å; Y547-L553 HydrophobicContact CG-CB 4.27Å; Y547-H556 HydrophobicContact CE1-CB 3.97Å; Y547-H556 HydrophobicContact CE2-CB 4.06Å; Y547-H556 AromaticContact CE2-CD2 3.19Å; Y547-H556 WeakPolarHBondContact CE2-CD2 3.26Å; Y547-H556 AromaticContact CE2-CG 3.72Å; Y547-H556 AromaticContact CE2-NE2 3.92Å; Y547-H556 AromaticContact CZ-CD2 3.44Å; Y547-H556 VanDerWaalsContact CZ-CD2 3.44Å; Y547-H556 AromaticContact CZ-CG 3.45Å; Y547-H556 VanDerWaalsContact CZ-CG 3.45Å; Y547-H556 PolarHBondContact OH-CD2 3.16Å; Y547-H556 VanDerWaalsContact OH-CD2 3.3Å; Y547-H556 PolarHBondContact OH-ND1 3.01Å
548	K	79.3	Confident	74.1	Confident	114 Å²	114	79.2 Å²	79.2	50%	0.496	40%	0.398	S	S	.	.	S	Bend	trans	-70.7	-34.4	177.1	-65.8	-172.2	179.5	-172.3	0	112	M534 R536 Y538	M534-K548 WeakPolarHBondContact SD-CE 3.37Å; M534-K548 PolarHBondContact SD-NZ 3.34Å; M534-K548 VanDerWaalsContact SD-NZ 3.41Å; R536-K548 HydrophobicContact CG-CG 4.21Å; Y538-K548 VanDerWaalsContact CD2-O 3.29Å; Y538-K548 WeakPolarHBondContact CD2-O 3.49Å; Y538-K548 VanDerWaalsContact CE2-O 3.31Å; Y538-K548 WeakPolarHBondContact CE2-O 3.33Å
549	D	78.8	Confident	73.6	Confident	78 Å²	78	77.5 Å²	77.5	42%	0.417	40%	0.397	S	S	.	.	S	Bend	trans	-130.8	149.7	-168.9	-42.9	-78.9	0	0	0	111.5	Y538 A551 T552 L553	Y538-D549 VanDerWaalsContact CD2-C 3.47Å; D549-A551 PolarHBondContact O-N 3.44Å; D549-T552 PolarHBondContact N-OG1 3.06Å; D549-T552 PolarHBondContact O-N 3.44Å; D549-T552 PolarHBondContact O-OG1 3.11Å; D549-T552 VanDerWaalsContact O-OG1 3.06Å; D549-T552 PolarHBondContact OD2-OG1 2.82Å; D549-L553 PolarHBondContact O-N 2.84Å
550	P	75.6	Confident	72.9	Confident	61 Å²	61	71.5 Å²	71.5	40%	0.396	38%	0.376	S	S	.	.	H	α-helix	trans	-69.6	-20.4	175.8	30.1	-33.2	0	0	0	111.9	Y538 R554	Y538-P550 HydrophobicContact CD1-CB 3.97Å; Y538-P550 HydrophobicContact CE1-CB 3.85Å; Y538-P550 HydrophobicContact CE1-CG 4.2Å; Y538-P550 HydrophobicContact CE2-CG 4.48Å; Y538-P550 HydrophobicContact CG-CB 4.43Å; P550-R554 WeakPolarHBondContact O-CB 3.49Å; P550-R554 WeakPolarHBondContact O-CD 3.39Å; P550-R554 WeakPolarHBondContact O-CG 3.44Å; P550-R554 PolarHBondContact O-N 3.24Å
551	A	76.5	Confident	72	Confident	70 Å²	70	78.3 Å²	78.3	58%	0.579	40%	0.401	S	S	*	.	H	α-helix	trans	-72.9	-41.9	174.4	0	0	0	0	0	112.1	D549 R554 Q555	D549-A551 PolarHBondContact O-N 3.44Å; A551-R554 PolarHBondContact O-N 2.66Å; A551-Q555 PolarHBondContact O-N 3.26Å
552	T	76.9	Confident	71.3	Confident	62 Å²	62	79.8 Å²	79.8	38%	0.38	40%	0.399	S	S	.	.	H	α-helix	trans	-72.9	-36.5	176.7	49	0	0	0	0	111.2	D549 Q555 H556	D549-T552 PolarHBondContact N-OG1 3.06Å; D549-T552 PolarHBondContact O-N 3.44Å; D549-T552 PolarHBondContact O-OG1 3.11Å; D549-T552 VanDerWaalsContact O-OG1 3.06Å; D549-T552 PolarHBondContact OD2-OG1 2.82Å; T552-Q555 PolarHBondContact O-N 3.19Å; T552-H556 PolarHBondContact O-N 3.24Å
553	L	78.8	Confident	71.2	Confident	18 Å²	18	79.7 Å²	79.7	9%	0.094	40%	0.402	C	S	.	.	H	α-helix	trans	-56.4	-55.6	166.6	173.3	58.9	0	0	0	111.4	C540 Y547 D549 Q555 H556 E557	C540-L553 HydrophobicContact CB-CD1 3.7Å; Y547-L553 HydrophobicContact CD2-CB 4.25Å; Y547-L553 HydrophobicContact CD2-CD1 3.93Å; Y547-L553 HydrophobicContact CE2-CD1 4.4Å; Y547-L553 HydrophobicContact CG-CB 4.27Å; D549-L553 PolarHBondContact O-N 2.84Å; L553-Q555 VanDerWaalsContact C-N 3.26Å; L553-Q555 PolarHBondContact O-N 3.27Å; L553-H556 CarbonylContact O-C 3.5Å; L553-H556 WeakPolarHBondContact O-CA 3.45Å; L553-H556 WeakPolarHBondContact O-CB 3.27Å; L553-H556 PolarHBondContact O-N 3.19Å; L553-E557 HydrophobicContact CD1-CG 3.77Å; L553-E557 HydrophobicContact CG-CG 4.13Å; L553-E557 WeakPolarHBondContact O-CG 3.41Å; L553-E557 PolarHBondContact O-N 3.16Å
554	R	74.9	Confident	70.8	Confident	174 Å²	174	82.4 Å²	82.4	66%	0.657	41%	0.407	S	S	*	.	H	α-helix	trans	-58.7	-34.4	-178.7	-78.5	169.8	179.8	-109.5	1	113.5	P550 A551 K558	P550-R554 WeakPolarHBondContact O-CB 3.49Å; P550-R554 WeakPolarHBondContact O-CD 3.39Å; P550-R554 WeakPolarHBondContact O-CG 3.44Å; P550-R554 PolarHBondContact O-N 3.24Å; A551-R554 PolarHBondContact O-N 2.66Å; R554-K558 WeakPolarHBondContact O-CG 3.47Å; R554-K558 PolarHBondContact O-N 3.16Å; R554-K558 VanDerWaalsContact O-N 3.16Å
555	Q	72.3	Confident	70.9	Confident	107 Å²	107	79.7 Å²	79.7	50%	0.5	40%	0.396	S	S	.	.	H	α-helix	trans	-72.2	-33	175.3	-172.1	60.4	21.9	0	0	111.9	A551 T552 L553 K558 T559	A551-Q555 PolarHBondContact O-N 3.26Å; T552-Q555 PolarHBondContact O-N 3.19Å; L553-Q555 VanDerWaalsContact C-N 3.26Å; L553-Q555 PolarHBondContact O-N 3.27Å; Q555-K558 WeakPolarHBondContact O-CB 3.23Å; Q555-T559 PolarHBondContact O-N 3.07Å
556	H	75.6	Confident	71.6	Confident	22 Å²	22	77.3 Å²	77.3	10%	0.102	38%	0.384	C	S	.	.	H	α-helix	trans	-71.3	-38.4	169.3	162.9	57.3	0	0	0	112.9	C543 Y547 T552 L553 K558 T559 H560	C543-H556 VanDerWaalsContact SG-CE1 3.58Å; C543-H556 PolarHBondContact SG-NE2 3.33Å; Y547-H556 HydrophobicContact CE1-CB 3.97Å; Y547-H556 HydrophobicContact CE2-CB 4.06Å; Y547-H556 AromaticContact CE2-CD2 3.19Å; Y547-H556 WeakPolarHBondContact CE2-CD2 3.26Å; Y547-H556 AromaticContact CE2-CG 3.72Å; Y547-H556 AromaticContact CE2-NE2 3.92Å; Y547-H556 AromaticContact CZ-CD2 3.44Å; Y547-H556 VanDerWaalsContact CZ-CD2 3.44Å; Y547-H556 AromaticContact CZ-CG 3.45Å; Y547-H556 VanDerWaalsContact CZ-CG 3.45Å; Y547-H556 PolarHBondContact OH-CD2 3.16Å; Y547-H556 VanDerWaalsContact OH-CD2 3.3Å; Y547-H556 PolarHBondContact OH-ND1 3.01Å; T552-H556 PolarHBondContact O-N 3.24Å; L553-H556 CarbonylContact O-C 3.5Å; L553-H556 WeakPolarHBondContact O-CA 3.45Å; L553-H556 WeakPolarHBondContact O-CB 3.27Å; L553-H556 PolarHBondContact O-N 3.19Å; H556-K558 PolarHBondContact O-N 2.94Å; H556-T559 PolarHBondContact ND1-OG1 3.44Å; H556-T559 WeakPolarHBondContact O-CA 3.44Å; H556-T559 WeakPolarHBondContact O-CB 3.39Å; H556-T559 PolarHBondContact O-N 3.39Å; H556-T559 PolarHBondContact O-OG1 2.66Å; H556-H560 AromaticContact CE1-CD2 3.88Å; H556-H560 AromaticContact CE1-CE1 3.89Å; H556-H560 AromaticContact CE1-NE2 3.4Å; H556-H560 PolarHBondContact CE1-NE2 3.5Å; H556-H560 AromaticContact NE2-CD2 3.83Å; H556-H560 AromaticContact NE2-NE2 3.31Å; H556-H560 PolarHBondContact NE2-NE2 3.02Å; H556-H560 PolarHBondContact O-N 3.5Å
557	E	71.1	Confident	71.6	Confident	38 Å²	38	78.9 Å²	78.9	18%	0.178	39%	0.394	C	S	.	.	H	α-helix	trans	-60.6	-35.5	174.6	-67.1	173.5	146.7	0	0	111.5	L553 T559 H560 W561	L553-E557 HydrophobicContact CD1-CG 3.77Å; L553-E557 HydrophobicContact CG-CG 4.13Å; L553-E557 WeakPolarHBondContact O-CG 3.41Å; L553-E557 PolarHBondContact O-N 3.16Å; E557-T559 VanDerWaalsContact C-N 3.28Å; E557-T559 PolarHBondContact O-N 3.43Å; E557-H560 WeakPolarHBondContact O-CB 3.38Å; E557-H560 PolarHBondContact O-N 2.97Å; E557-W561 HydrophobicContact CB-CE3 4.43Å; E557-W561 HydrophobicContact CB-CH2 3.52Å; E557-W561 HydrophobicContact CB-CZ2 4.26Å; E557-W561 HydrophobicContact CB-CZ3 3.64Å; E557-W561 VanDerWaalsContact O-CE3 3.31Å; E557-W561 PolarHBondContact O-N 3.37Å
558	K	67.4	Low	71.8	Confident	101 Å²	101	76.6 Å²	76.6	44%	0.439	39%	0.385	S	S	.	.	H	α-helix	trans	-58.5	-36.2	166.8	-68	177.3	-157.7	164.5	0	113.1	R554 Q555 H556 H560 W561 L562	R554-K558 WeakPolarHBondContact O-CG 3.47Å; R554-K558 PolarHBondContact O-N 3.16Å; R554-K558 VanDerWaalsContact O-N 3.16Å; Q555-K558 WeakPolarHBondContact O-CB 3.23Å; H556-K558 PolarHBondContact O-N 2.94Å; K558-H560 VanDerWaalsContact C-N 3.26Å; K558-H560 PolarHBondContact O-N 3.03Å; K558-W561 HydrophobicContact CB-CE3 4.43Å; K558-W561 HydrophobicContact CG-CE3 4.15Å; K558-W561 HydrophobicContact CG-CZ3 4.29Å; K558-W561 PolarHBondContact O-N 2.73Å; K558-L562 HydrophobicContact CB-CD1 4.32Å; K558-L562 VanDerWaalsContact O-CB 3.29Å; K558-L562 WeakPolarHBondContact O-CB 3.33Å; K558-L562 WeakPolarHBondContact O-CD1 3.38Å; K558-L562 WeakPolarHBondContact O-CG 3.32Å; K558-L562 PolarHBondContact O-N 2.99Å
559	T	61.5	Low	71.8	Confident	59 Å²	59	76.2 Å²	76.2	36%	0.362	40%	0.396	S	S	.	.	H	α-helix	trans	-61.5	-35.6	173.2	71.1	0	0	0	0	111.6	Q555 H556 E557 L562 T563	Q555-T559 PolarHBondContact O-N 3.07Å; H556-T559 PolarHBondContact ND1-OG1 3.44Å; H556-T559 WeakPolarHBondContact O-CA 3.44Å; H556-T559 WeakPolarHBondContact O-CB 3.39Å; H556-T559 PolarHBondContact O-N 3.39Å; H556-T559 PolarHBondContact O-OG1 2.66Å; E557-T559 VanDerWaalsContact C-N 3.28Å; E557-T559 PolarHBondContact O-N 3.43Å; T559-L562 PolarHBondContact O-N 3.07Å; T559-T563 WeakPolarHBondContact O-CB 3.35Å; T559-T563 WeakPolarHBondContact O-CG2 3.31Å; T559-T563 PolarHBondContact O-N 2.94Å; T559-T563 PolarHBondContact O-OG1 3.12Å
560	H	58.9	Low	71.8	Confident	26 Å²	26	77 Å²	77	12%	0.12	40%	0.4	C	S	.	.	H	α-helix	trans	-65	-40.3	172.5	-70.9	-56.3	0	0	0	113.5	C540 C543 H556 E557 K558 L562 R564	C540-H560 VanDerWaalsContact SG-CD2 3.58Å; C540-H560 PolarHBondContact SG-NE2 3.29Å; C543-H560 PolarHBondContact SG-NE2 3.16Å; H556-H560 AromaticContact CE1-CD2 3.88Å; H556-H560 AromaticContact CE1-CE1 3.89Å; H556-H560 AromaticContact CE1-NE2 3.4Å; H556-H560 PolarHBondContact CE1-NE2 3.5Å; H556-H560 AromaticContact NE2-CD2 3.83Å; H556-H560 AromaticContact NE2-NE2 3.31Å; H556-H560 PolarHBondContact NE2-NE2 3.02Å; H556-H560 PolarHBondContact O-N 3.5Å; E557-H560 WeakPolarHBondContact O-CB 3.38Å; E557-H560 PolarHBondContact O-N 2.97Å; K558-H560 VanDerWaalsContact C-N 3.26Å; K558-H560 PolarHBondContact O-N 3.03Å; H560-L562 VanDerWaalsContact C-N 3.32Å; H560-R564 CarbonylContact O-C 3.49Å; H560-R564 PolarHBondContact O-N 3.35Å; H560-R564 VanDerWaalsContact O-N 3.14Å
561	W	58	Low	72.1	Confident	148 Å²	148	76.8 Å²	76.8	56%	0.561	40%	0.399	S	S	*	.	H	α-helix	trans	-71.5	-26.5	175.8	-61.1	-54.2	0	0	0	112.8	E557 K558	E557-W561 HydrophobicContact CB-CE3 4.43Å; E557-W561 HydrophobicContact CB-CH2 3.52Å; E557-W561 HydrophobicContact CB-CZ2 4.26Å; E557-W561 HydrophobicContact CB-CZ3 3.64Å; E557-W561 VanDerWaalsContact O-CE3 3.31Å; E557-W561 PolarHBondContact O-N 3.37Å; K558-W561 HydrophobicContact CB-CE3 4.43Å; K558-W561 HydrophobicContact CG-CE3 4.15Å; K558-W561 HydrophobicContact CG-CZ3 4.29Å; K558-W561 PolarHBondContact O-N 2.73Å
562	L	55.1	Low	72.1	Confident	138 Å²	138	75.7 Å²	75.7	72%	0.723	40%	0.395	S	S	*	.	H	α-helix	trans	-87.3	-27.8	179	-71	164.9	0	0	0	114	K558 T559 H560	K558-L562 HydrophobicContact CB-CD1 4.32Å; K558-L562 VanDerWaalsContact O-CB 3.29Å; K558-L562 WeakPolarHBondContact O-CB 3.33Å; K558-L562 WeakPolarHBondContact O-CD1 3.38Å; K558-L562 WeakPolarHBondContact O-CG 3.32Å; K558-L562 PolarHBondContact O-N 2.99Å; T559-L562 PolarHBondContact O-N 3.07Å; H560-L562 VanDerWaalsContact C-N 3.32Å
563	T	60.9	Low	72	Confident	82 Å²	82	78.9 Å²	78.9	50%	0.503	40%	0.403	S	S	.	.	H	α-helix	trans	-100.6	-31.8	-178.4	63.4	0	0	0	0	114.4	T559	T559-T563 WeakPolarHBondContact O-CB 3.35Å; T559-T563 WeakPolarHBondContact O-CG2 3.31Å; T559-T563 PolarHBondContact O-N 2.94Å; T559-T563 PolarHBondContact O-OG1 3.12Å
564	R	65.1	Low	72.2	Confident	94 Å²	94	79.9 Å²	79.9	36%	0.355	41%	0.407	S	S	.	.			trans	-135.9	70.9	-179.8	-72.7	-178.7	144	-168	0.5	111.6	E388 H560 Y566 K574 F575 T576	E388-R564 IonicContact OE2-CZ 2.89Å; E388-R564 IonicContact OE2-NE 3.69Å; E388-R564 IonicContact OE2-NH2 2.77Å; E388-R564 PolarHBondContact OE2-NH2 2.93Å; H560-R564 CarbonylContact O-C 3.49Å; H560-R564 PolarHBondContact O-N 3.35Å; H560-R564 VanDerWaalsContact O-N 3.14Å; R564-Y566 VanDerWaalsContact C-N 3.25Å; R564-Y566 PolarHBondContact O-N 2.56Å; R564-K574 HydrophobicContact CB-CB 3.74Å; R564-K574 VanDerWaalsContact CD-O 3.23Å; R564-K574 WeakPolarHBondContact CD-O 3.49Å; R564-K574 VanDerWaalsContact CZ-O 3.26Å; R564-K574 PolarHBondContact NE-O 3.18Å; R564-K574 PolarHBondContact NH1-O 3.09Å; R564-F575 CarbonylContact C-O 3.25Å; R564-F575 VanDerWaalsContact C-O 3.23Å; R564-F575 WeakPolarHBondContact CA-O 3.46Å; R564-T576 HydrophobicContact CG-CG2 3.83Å
565	P	74.7	Confident	72.5	Confident	66 Å²	66	72.6 Å²	72.6	43%	0.429	38%	0.38	S	S	.	.			trans	-74.5	-4.7	-174.4	28.9	-34	0	0	0	115	P567	P565-P567 WeakPolarHBondContact O-CD 3.47Å
566	Y	80.3	Confident	72.7	Confident	72 Å²	72	70.1 Å²	70.1	28%	0.282	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	88.4	-176.3	-57.2	-73.9	0	0	0	112	R564 F575 R578	R564-Y566 VanDerWaalsContact C-N 3.25Å; R564-Y566 PolarHBondContact O-N 2.56Å; Y566-F575 PolarHBondContact N-O 3.28Å; Y566-F575 PolarHBondContact O-N 3.14Å; Y566-R578 HydrophobicContact CD1-CB 3.92Å; Y566-R578 HydrophobicContact CD1-CG 4.18Å; Y566-R578 HydrophobicContact CD2-CB 4.49Å; Y566-R578 HydrophobicContact CE1-CB 3.67Å; Y566-R578 HydrophobicContact CE1-CG 4.11Å; Y566-R578 HydrophobicContact CE2-CB 4.26Å; Y566-R578 VanDerWaalsContact CE2-N 3.27Å; Y566-R578 HydrophobicContact CG-CB 4.32Å
567	P	80.1	Confident	72.9	Confident	76 Å²	76	74.9 Å²	74.9	49%	0.494	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	140.2	172	30.9	-34.3	0	0	0	111.9	P565 K574	P565-P567 WeakPolarHBondContact O-CD 3.47Å; P567-K574 HydrophobicContact CB-CG 4.35Å
568	C	85.6	Confident	73.2	Confident	3 Å²	3	80.9 Å²	80.9	2%	0.02	42%	0.415	C	S	.	.			trans	-67.1	131.3	159.4	174.1	0	0	0	0	109.6	I570 C571 G572 K573 F575 H584 M585 H588	C568-I570 VanDerWaalsContact C-N 3.31Å; C568-I570 PolarHBondContact O-N 3.1Å; C568-I570 PolarHBondContact SG-N 3.45Å; C568-I570 VanDerWaalsContact SG-N 3.4Å; C568-C571 PolarHBondContact SG-N 3.04Å; C568-C571 VanDerWaalsContact SG-N 3.41Å; C568-C571 VanDerWaalsContact SG-SG 3.67Å; C568-G572 VanDerWaalsContact O-CA 3.27Å; C568-G572 WeakPolarHBondContact O-CA 3.23Å; C568-G572 PolarHBondContact O-N 3.48Å; C568-G572 VanDerWaalsContact O-N 3.11Å; C568-K573 WeakPolarHBondContact CB-O 3.45Å; C568-K573 PolarHBondContact N-O 3.41Å; C568-F575 HydrophobicContact CB-CE2 4.21Å; C568-H584 PolarHBondContact SG-NE2 3.45Å; C568-M585 HydrophobicContact CB-SD 4.33Å; C568-M585 PolarHBondContact SG-SD 3.06Å; C568-H588 VanDerWaalsContact SG-CD2 3.6Å
569	S	80.8	Confident	73.9	Confident	105 Å²	105	78.5 Å²	78.5	73%	0.734	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-23.2	178.3	49.7	0	0	0	0	113.7
570	I	78.5	Confident	74.9	Confident	96 Å²	96	76.4 Å²	76.4	49%	0.492	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-49.1	-172.5	-63.7	172.1	0	0	0	111.6	C568 M585 H588	C568-I570 VanDerWaalsContact C-N 3.31Å; C568-I570 PolarHBondContact O-N 3.1Å; C568-I570 PolarHBondContact SG-N 3.45Å; C568-I570 VanDerWaalsContact SG-N 3.4Å; I570-M585 HydrophobicContact CD1-CE 3.64Å; I570-M585 HydrophobicContact CG1-CE 4.08Å; I570-H588 HydrophobicContact CD1-CB 3.6Å; I570-H588 HydrophobicContact CG2-CB 4.45Å
571	C	81.9	Confident	76.3	Confident	56 Å²	56	76.8 Å²	76.8	38%	0.378	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	3.8	-177.6	79.9	0	0	0	0	114.7	C568 K573 H584 H588	C568-C571 PolarHBondContact SG-N 3.04Å; C568-C571 VanDerWaalsContact SG-N 3.41Å; C568-C571 VanDerWaalsContact SG-SG 3.67Å; C571-K573 PolarHBondContact O-N 3.07Å; C571-K573 WeakPolarHBondContact SG-CG 3.37Å; C571-H584 PolarHBondContact SG-NE2 3.19Å; C571-H588 PolarHBondContact SG-NE2 2.7Å; C571-H588 VanDerWaalsContact SG-NE2 3.41Å
572	G	75.6	Confident	77.5	Confident	47 Å²	47	73 Å²	73	49%	0.485	40%	0.402	S	S	.	.			trans	68.8	-4.8	178	0	0	0	0	0	116.5	C568 K574	C568-G572 VanDerWaalsContact O-CA 3.27Å; C568-G572 WeakPolarHBondContact O-CA 3.23Å; C568-G572 PolarHBondContact O-N 3.48Å; C568-G572 VanDerWaalsContact O-N 3.11Å; G572-K574 PolarHBondContact O-N 3.3Å
573	K	76	Confident	78.8	Confident	129 Å²	129	70.4 Å²	70.4	56%	0.561	38%	0.383	S	S	*	.			trans	-55	126.5	175.6	-76.4	-178.9	-179.4	-172.6	0	109	C568 C571 F575	C568-K573 WeakPolarHBondContact CB-O 3.45Å; C568-K573 PolarHBondContact N-O 3.41Å; C571-K573 PolarHBondContact O-N 3.07Å; C571-K573 WeakPolarHBondContact SG-CG 3.37Å; K573-F575 HydrophobicContact CB-CE2 3.82Å; K573-F575 HydrophobicContact CB-CZ 4Å; K573-F575 WeakPolarHBondContact O-CD2 3.14Å; K573-F575 VanDerWaalsContact O-CE2 3.26Å; K573-F575 WeakPolarHBondContact O-CE2 3.19Å
574	K	81.6	Confident	80	Confident	39 Å²	39	67.4 Å²	67.4	17%	0.17	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	139	-179.4	-55.8	-170.4	-175.7	-177.5	0	111	N542 R564 P567 G572	N542-K574 VanDerWaalsContact CG-NZ 3.3Å; N542-K574 WeakPolarHBondContact OD1-CE 3.13Å; N542-K574 PolarHBondContact OD1-NZ 2.94Å; R564-K574 HydrophobicContact CB-CB 3.74Å; R564-K574 VanDerWaalsContact CD-O 3.23Å; R564-K574 WeakPolarHBondContact CD-O 3.49Å; R564-K574 VanDerWaalsContact CZ-O 3.26Å; R564-K574 PolarHBondContact NE-O 3.18Å; R564-K574 PolarHBondContact NH1-O 3.09Å; P567-K574 HydrophobicContact CB-CG 4.35Å; G572-K574 PolarHBondContact O-N 3.3Å
575	F	80.9	Confident	80.9	Confident	21 Å²	21	64.4 Å²	64.4	9%	0.092	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152	-177.7	-61.6	-90.4	0	0	0	112.1	R564 Y566 C568 K573 M581 H584	R564-F575 CarbonylContact C-O 3.25Å; R564-F575 VanDerWaalsContact C-O 3.23Å; R564-F575 WeakPolarHBondContact CA-O 3.46Å; Y566-F575 PolarHBondContact N-O 3.28Å; Y566-F575 PolarHBondContact O-N 3.14Å; C568-F575 HydrophobicContact CB-CE2 4.21Å; K573-F575 HydrophobicContact CB-CE2 3.82Å; K573-F575 HydrophobicContact CB-CZ 4Å; K573-F575 WeakPolarHBondContact O-CD2 3.14Å; K573-F575 VanDerWaalsContact O-CE2 3.26Å; K573-F575 WeakPolarHBondContact O-CE2 3.19Å; F575-M581 HydrophobicContact CB-CB 3.98Å; F575-M581 HydrophobicContact CD2-CB 3.75Å; F575-M581 HydrophobicContact CD2-CG 4Å; F575-M581 HydrophobicContact CG-CB 4Å; F575-H584 HydrophobicContact CE1-CB 4.03Å; F575-H584 HydrophobicContact CE2-CB 4.11Å; F575-H584 AromaticContact CE2-CD2 3.29Å; F575-H584 WeakPolarHBondContact CE2-CD2 3.36Å; F575-H584 AromaticContact CE2-CG 3.78Å; F575-H584 AromaticContact CE2-NE2 3.95Å; F575-H584 HydrophobicContact CZ-CB 3.59Å; F575-H584 AromaticContact CZ-CD2 3.31Å; F575-H584 WeakPolarHBondContact CZ-CD2 3.41Å; F575-H584 AromaticContact CZ-CG 3.31Å; F575-H584 AromaticContact CZ-ND1 3.93Å; F575-H584 AromaticContact CZ-NE2 3.89Å
576	T	77.9	Confident	81.4	Confident	55 Å²	55	65.4 Å²	65.4	34%	0.337	35%	0.349	S	S	.	.	S	Bend	trans	-68.2	-34.9	177.7	49.9	0	0	0	0	112.2	R564	R564-T576 HydrophobicContact CG-CG2 3.83Å
577	Q	78.3	Confident	81.6	Confident	121 Å²	121	65 Å²	65	57%	0.565	36%	0.356	S	S	*	.	S	Bend	trans	-129	150.3	-172.7	-58.2	178.7	11	0	0	111.8	G579 T580 M581	Q577-G579 VanDerWaalsContact C-N 3.31Å; Q577-G579 PolarHBondContact O-N 2.8Å; Q577-T580 PolarHBondContact O-N 3.41Å; Q577-T580 PolarHBondContact O-OG1 3.18Å; Q577-T580 VanDerWaalsContact O-OG1 3.06Å; Q577-M581 PolarHBondContact O-N 3.22Å
578	R	78.9	Confident	81.7	Confident	164 Å²	164	64.9 Å²	64.9	62%	0.619	35%	0.349	S	S	*	.	H	α-helix	trans	-62.6	-41.1	175.8	-168.4	-179.7	-70.1	-153.5	-0.9	111	Y566 T580 M581 T582	Y566-R578 HydrophobicContact CD1-CB 3.92Å; Y566-R578 HydrophobicContact CD1-CG 4.18Å; Y566-R578 HydrophobicContact CD2-CB 4.49Å; Y566-R578 HydrophobicContact CE1-CB 3.67Å; Y566-R578 HydrophobicContact CE1-CG 4.11Å; Y566-R578 HydrophobicContact CE2-CB 4.26Å; Y566-R578 VanDerWaalsContact CE2-N 3.27Å; Y566-R578 HydrophobicContact CG-CB 4.32Å; R578-T580 PolarHBondContact O-N 3.25Å; R578-M581 HydrophobicContact CG-CE 4.28Å; R578-M581 PolarHBondContact O-N 2.95Å; R578-T582 WeakPolarHBondContact O-CB 3.4Å; R578-T582 PolarHBondContact O-N 2.94Å; R578-T582 PolarHBondContact O-OG1 3.44Å; R578-T582 VanDerWaalsContact O-OG1 3.08Å
579	G	81	Confident	81.5	Confident	51 Å²	51	69.8 Å²	69.8	53%	0.526	37%	0.374	S	S	.	.	H	α-helix	trans	-62	-38.2	-179.5	0	0	0	0	0	113.8	Q577 R583	Q577-G579 VanDerWaalsContact C-N 3.31Å; Q577-G579 PolarHBondContact O-N 2.8Å; G579-R583 VanDerWaalsContact O-CB 3.25Å; G579-R583 WeakPolarHBondContact O-CB 3.49Å; G579-R583 PolarHBondContact O-N 3.4Å
580	T	82	Confident	81.5	Confident	15 Å²	15	67.3 Å²	67.3	9%	0.092	37%	0.366	C	S	.	.	H	α-helix	trans	-72.3	-40.1	176.5	50.7	0	0	0	0	111.7	Q577 R578 R583 H584	Q577-T580 PolarHBondContact O-N 3.41Å; Q577-T580 PolarHBondContact O-OG1 3.18Å; Q577-T580 VanDerWaalsContact O-OG1 3.06Å; R578-T580 PolarHBondContact O-N 3.25Å; T580-R583 PolarHBondContact O-N 3.02Å; T580-H584 WeakPolarHBondContact O-CB 3.49Å; T580-H584 PolarHBondContact O-N 3.47Å
581	M	88.9	Confident	81.6	Confident	35 Å²	35	67.2 Å²	67.2	17%	0.172	37%	0.366	C	S	.	.	H	α-helix	trans	-59.4	-51.2	170.3	-177.7	-81.7	-69.9	0	0	111.9	F575 Q577 R578 R583 H584 M585	F575-M581 HydrophobicContact CB-CB 3.98Å; F575-M581 HydrophobicContact CD2-CB 3.75Å; F575-M581 HydrophobicContact CD2-CG 4Å; F575-M581 HydrophobicContact CG-CB 4Å; Q577-M581 PolarHBondContact O-N 3.22Å; R578-M581 HydrophobicContact CG-CE 4.28Å; R578-M581 PolarHBondContact O-N 2.95Å; M581-R583 VanDerWaalsContact C-N 3.27Å; M581-R583 PolarHBondContact O-N 3.39Å; M581-H584 WeakPolarHBondContact O-CB 3.45Å; M581-H584 PolarHBondContact O-N 2.86Å; M581-H584 VanDerWaalsContact O-N 3.09Å; M581-M585 WeakPolarHBondContact O-CG 3.45Å; M581-M585 PolarHBondContact O-N 3.15Å; M581-M585 HydrophobicContact SD-CG 3.68Å
582	T	83.4	Confident	81.9	Confident	68 Å²	68	69.4 Å²	69.4	42%	0.417	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-31.3	179.3	-59.1	0	0	0	0	112.3	R578	R578-T582 WeakPolarHBondContact O-CB 3.4Å; R578-T582 PolarHBondContact O-N 2.94Å; R578-T582 PolarHBondContact O-OG1 3.44Å; R578-T582 VanDerWaalsContact O-OG1 3.08Å
583	R	82.9	Confident	82.3	Confident	83 Å²	83	70.4 Å²	70.4	31%	0.313	37%	0.367	S	S	.	.	H	α-helix	trans	-67.7	-44.7	171.2	-175.4	179.4	76.4	-151.2	6.6	111.3	D386 G579 T580 M581 R586	D386-R583 IonicContact OD1-NH2 3.99Å; D386-R583 IonicContact OD2-NH2 3.86Å; G579-R583 VanDerWaalsContact O-CB 3.25Å; G579-R583 WeakPolarHBondContact O-CB 3.49Å; G579-R583 PolarHBondContact O-N 3.4Å; T580-R583 PolarHBondContact O-N 3.02Å; M581-R583 VanDerWaalsContact C-N 3.27Å; M581-R583 PolarHBondContact O-N 3.39Å; R583-R586 VanDerWaalsContact O-CB 3.25Å; R583-R586 WeakPolarHBondContact O-CB 3.48Å; R583-R586 PolarHBondContact O-N 3.28Å; R583-R586 VanDerWaalsContact O-N 3.17Å
584	H	86.1	Confident	82.9	Confident	20 Å²	20	67.1 Å²	67.1	9%	0.093	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-38.9	177.2	164.8	68.5	0	0	0	112.5	C568 C571 F575 T580 M581 R586 S587 H588	C568-H584 PolarHBondContact SG-NE2 3.45Å; C571-H584 PolarHBondContact SG-NE2 3.19Å; F575-H584 HydrophobicContact CE1-CB 4.03Å; F575-H584 HydrophobicContact CE2-CB 4.11Å; F575-H584 AromaticContact CE2-CD2 3.29Å; F575-H584 WeakPolarHBondContact CE2-CD2 3.36Å; F575-H584 AromaticContact CE2-CG 3.78Å; F575-H584 AromaticContact CE2-NE2 3.95Å; F575-H584 HydrophobicContact CZ-CB 3.59Å; F575-H584 AromaticContact CZ-CD2 3.31Å; F575-H584 WeakPolarHBondContact CZ-CD2 3.41Å; F575-H584 AromaticContact CZ-CG 3.31Å; F575-H584 AromaticContact CZ-ND1 3.93Å; F575-H584 AromaticContact CZ-NE2 3.89Å; T580-H584 WeakPolarHBondContact O-CB 3.49Å; T580-H584 PolarHBondContact O-N 3.47Å; M581-H584 WeakPolarHBondContact O-CB 3.45Å; M581-H584 PolarHBondContact O-N 2.86Å; M581-H584 VanDerWaalsContact O-N 3.09Å; H584-R586 PolarHBondContact O-N 3.28Å; H584-S587 PolarHBondContact O-N 3.2Å; H584-S587 PolarHBondContact O-OG 3.03Å; H584-H588 AromaticContact CE1-CD2 4Å; H584-H588 AromaticContact CE1-NE2 3.56Å; H584-H588 AromaticContact NE2-CD2 3.76Å; H584-H588 AromaticContact NE2-NE2 3.39Å; H584-H588 PolarHBondContact NE2-NE2 3.14Å
585	M	82.8	Confident	83.3	Confident	30 Å²	30	66.7 Å²	66.7	15%	0.148	36%	0.357	C	S	.	.	H	α-helix	trans	-55.7	-22.2	173.1	-71.3	-61.7	-62.1	0	0	113.5	C568 I570 M581 L589	C568-M585 HydrophobicContact CB-SD 4.33Å; C568-M585 PolarHBondContact SG-SD 3.06Å; I570-M585 HydrophobicContact CD1-CE 3.64Å; I570-M585 HydrophobicContact CG1-CE 4.08Å; M581-M585 WeakPolarHBondContact O-CG 3.45Å; M581-M585 PolarHBondContact O-N 3.15Å; M581-M585 HydrophobicContact SD-CG 3.68Å; M585-L589 WeakPolarHBondContact O-CG 3.44Å; M585-L589 PolarHBondContact O-N 3.43Å
586	R	86.3	Confident	83.8	Confident	87 Å²	87	65.8 Å²	65.8	33%	0.328	35%	0.353	S	S	.	.	H	α-helix	trans	-69.5	-28.4	175.7	-59.4	178.1	-173.9	173.5	-0.1	113.4	R583 H584 G590 L591	R583-R586 VanDerWaalsContact O-CB 3.25Å; R583-R586 WeakPolarHBondContact O-CB 3.48Å; R583-R586 PolarHBondContact O-N 3.28Å; R583-R586 VanDerWaalsContact O-N 3.17Å; H584-R586 PolarHBondContact O-N 3.28Å; R586-G590 CarbonylContact O-C 3.51Å; R586-G590 PolarHBondContact O-N 3.4Å; R586-G590 VanDerWaalsContact O-N 3.13Å; R586-L591 HydrophobicContact CB-CB 4.06Å; R586-L591 HydrophobicContact CG-CB 4.34Å; R586-L591 PolarHBondContact O-N 3.49Å
587	S	83.8	Confident	84.3	Confident	64 Å²	64	71 Å²	71	45%	0.448	38%	0.378	S	S	.	.	H	α-helix	trans	-70.4	-44.9	176.2	65.3	0	0	0	0	110.7	H584 L589 G590	H584-S587 PolarHBondContact O-N 3.2Å; H584-S587 PolarHBondContact O-OG 3.03Å; S587-L589 VanDerWaalsContact C-N 3.25Å; S587-L589 PolarHBondContact O-N 3.44Å; S587-G590 PolarHBondContact O-N 3.45Å; S587-G590 VanDerWaalsContact O-N 3.07Å
588	H	81.9	Confident	84.7	Confident	74 Å²	74	68.8 Å²	68.8	34%	0.343	38%	0.376	S	S	.	.	H	α-helix	trans	-58.7	-33.8	174	-72.3	-53.5	0	0	0	113.9	C568 I570 C571 H584	C568-H588 VanDerWaalsContact SG-CD2 3.6Å; I570-H588 HydrophobicContact CD1-CB 3.6Å; I570-H588 HydrophobicContact CG2-CB 4.45Å; C571-H588 PolarHBondContact SG-NE2 2.7Å; C571-H588 VanDerWaalsContact SG-NE2 3.41Å; H584-H588 AromaticContact CE1-CD2 4Å; H584-H588 AromaticContact CE1-NE2 3.56Å; H584-H588 AromaticContact NE2-CD2 3.76Å; H584-H588 AromaticContact NE2-NE2 3.39Å; H584-H588 PolarHBondContact NE2-NE2 3.14Å
589	L	81.9	Confident	85.3	Confident	105 Å²	105	64.1 Å²	64.1	55%	0.55	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	4.4	178.6	-62.6	173.9	0	0	0	113.5	M585 S587 L591	M585-L589 WeakPolarHBondContact O-CG 3.44Å; M585-L589 PolarHBondContact O-N 3.43Å; S587-L589 VanDerWaalsContact C-N 3.25Å; S587-L589 PolarHBondContact O-N 3.44Å; L589-L591 HydrophobicContact CB-CD1 3.87Å; L589-L591 HydrophobicContact CB-CG 3.74Å; L589-L591 HydrophobicContact CD1-CD1 3.97Å; L589-L591 PolarHBondContact O-N 3.31Å
590	G	81.3	Confident	85.5	Confident	54 Å²	54	64 Å²	64	56%	0.557	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	12.6	-175.6	0	0	0	0	0	114.8	R586 S587 K592	R586-G590 CarbonylContact O-C 3.51Å; R586-G590 PolarHBondContact O-N 3.4Å; R586-G590 VanDerWaalsContact O-N 3.13Å; S587-G590 PolarHBondContact O-N 3.45Å; S587-G590 VanDerWaalsContact O-N 3.07Å; G590-K592 PolarHBondContact O-N 3Å
591	L	80.8	Confident	85.8	Confident	93 Å²	93	67.3 Å²	67.3	49%	0.487	38%	0.383	S	S	.	.			trans	-75.2	94.1	-171.1	-67.4	177.9	0	0	0	110.8	R586 L589 P593	R586-L591 HydrophobicContact CB-CB 4.06Å; R586-L591 HydrophobicContact CG-CB 4.34Å; R586-L591 PolarHBondContact O-N 3.49Å; L589-L591 HydrophobicContact CB-CD1 3.87Å; L589-L591 HydrophobicContact CB-CG 3.74Å; L589-L591 HydrophobicContact CD1-CD1 3.97Å; L589-L591 PolarHBondContact O-N 3.31Å; L591-P593 VanDerWaalsContact C-CD 3.43Å; L591-P593 WeakPolarHBondContact O-CD 3.38Å
592	K	87.1	Confident	85.8	Confident	103 Å²	103	71.7 Å²	71.7	45%	0.448	40%	0.397	S	S	.	.			trans	-99.5	80.4	170.8	-67.5	170.2	172.2	-178.1	0	109.3	G590 R602 F603 T604	G590-K592 PolarHBondContact O-N 3Å; K592-R602 HydrophobicContact CB-CB 3.62Å; K592-R602 HydrophobicContact CD-CB 4.42Å; K592-R602 WeakPolarHBondContact CD-O 3.38Å; K592-R602 PolarHBondContact O-NE 3.46Å; K592-R602 PolarHBondContact O-NH2 3.17Å; K592-F603 CarbonylContact C-O 3.57Å; K592-F603 VanDerWaalsContact C-O 3.28Å; K592-F603 VanDerWaalsContact CA-O 3.31Å; K592-F603 WeakPolarHBondContact CA-O 3.34Å; K592-T604 HydrophobicContact CG-CG2 4.03Å
593	P	84.1	Confident	86	Confident	68 Å²	68	69.6 Å²	69.6	44%	0.442	38%	0.382	S	S	.	.			trans	-73.3	-30.5	-171.1	28.8	-36.8	0	0	0	113.8	L591 R602 F603	L591-P593 VanDerWaalsContact C-CD 3.43Å; L591-P593 WeakPolarHBondContact O-CD 3.38Å; P593-R602 PolarHBondContact O-NH2 3.43Å; P593-F603 WeakPolarHBondContact CD-O 3.29Å
594	F	88.7	Confident	86.1	Confident	60 Å²	60	66.5 Å²	66.5	26%	0.263	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	141.8	177.6	-52.2	-78.7	0	0	0	109.6	R602 F603 Q606 L609	F594-R602 CarbonylContact O-C 3.57Å; F594-R602 VanDerWaalsContact O-CA 3.24Å; F594-R602 WeakPolarHBondContact O-CA 3.45Å; F594-F603 HydrophobicContact CB-CB 4.42Å; F594-F603 PolarHBondContact N-O 2.97Å; F594-F603 PolarHBondContact O-N 3.29Å; F594-Q606 HydrophobicContact CD1-CB 3.96Å; F594-Q606 HydrophobicContact CD1-CG 4.19Å; F594-Q606 HydrophobicContact CE1-CB 3.67Å; F594-Q606 HydrophobicContact CE1-CG 4.09Å; F594-Q606 HydrophobicContact CE2-CB 4.26Å; F594-Q606 VanDerWaalsContact CE2-N 3.35Å; F594-Q606 HydrophobicContact CG-CB 4.37Å; F594-Q606 HydrophobicContact CZ-CB 3.84Å; F594-L609 HydrophobicContact CB-CB 4.33Å; F594-L609 HydrophobicContact CB-CD2 4.03Å
595	A	89.7	Confident	86.1	Confident	30 Å²	30	66.6 Å²	66.6	25%	0.248	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.2	178.7	0	0	0	0	0	110.5	M601 R602 L609	A595-M601 CarbonylContact C-O 3.23Å; A595-M601 WeakPolarHBondContact CA-O 3.37Å; A595-R602 HydrophobicContact CB-CG 4.17Å; A595-L609 VanDerWaalsContact O-CD2 3.24Å; A595-L609 WeakPolarHBondContact O-CD2 3.35Å
596	C	92.1	Very high	86.3	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.014	39%	0.393	C	S	.	.			trans	-84.4	120.7	170.9	178.7	0	0	0	0	110.1	S598 G600 M601 F603 L609 H612 M613 H616	C596-S598 PolarHBondContact O-N 3.06Å; C596-S598 PolarHBondContact SG-N 3.41Å; C596-S598 VanDerWaalsContact SG-N 3.44Å; C596-G600 VanDerWaalsContact O-CA 3.23Å; C596-G600 WeakPolarHBondContact O-CA 3.28Å; C596-G600 PolarHBondContact O-N 3.24Å; C596-M601 PolarHBondContact N-O 3.16Å; C596-F603 HydrophobicContact CB-CE2 4.42Å; C596-L609 HydrophobicContact CB-CD1 3.74Å; C596-H612 PolarHBondContact SG-NE2 3.02Å; C596-H612 VanDerWaalsContact SG-NE2 3.45Å; C596-M613 HydrophobicContact CB-SD 4.39Å; C596-M613 PolarHBondContact SG-SD 2.94Å; C596-H616 VanDerWaalsContact SG-CD2 3.56Å; C596-H616 PolarHBondContact SG-NE2 3.37Å
597	D	88.8	Confident	86.2	Confident	163 Å²	163	72.7 Å²	72.7	87%	0.872	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.9	178	-59.7	-50.7	0	0	0	112.7
598	S	86.5	Confident	86.4	Confident	75 Å²	75	72.8 Å²	72.8	52%	0.524	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-25.6	-178.4	-55.7	0	0	0	0	114.6	C596	C596-S598 PolarHBondContact O-N 3.06Å; C596-S598 PolarHBondContact SG-N 3.41Å; C596-S598 VanDerWaalsContact SG-N 3.44Å
599	C	90.3	Very high	86.8	Confident	67 Å²	67	70.7 Å²	70.7	45%	0.453	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141	-2.8	-176.4	71	0	0	0	0	115.2	M601 H612 H616	C599-M601 PolarHBondContact O-N 3.48Å; C599-M601 WeakPolarHBondContact SG-CB 3.39Å; C599-H612 PolarHBondContact SG-NE2 2.83Å; C599-H616 PolarHBondContact SG-NE2 3.18Å; C599-H616 VanDerWaalsContact SG-NE2 3.45Å
600	G	86.6	Confident	87	Confident	49 Å²	49	69.2 Å²	69.2	51%	0.505	38%	0.377	S	S	.	.			trans	76.5	-9.1	-178	0	0	0	0	0	115.7	C596 R602	C596-G600 VanDerWaalsContact O-CA 3.23Å; C596-G600 WeakPolarHBondContact O-CA 3.28Å; C596-G600 PolarHBondContact O-N 3.24Å; G600-R602 VanDerWaalsContact O-CG 3.28Å; G600-R602 WeakPolarHBondContact O-CG 3.48Å
601	M	88.7	Confident	87.3	Confident	84 Å²	84	68 Å²	68	41%	0.414	36%	0.357	S	S	.	.			trans	-58.9	138	-178.5	-165.3	177.2	-166.8	0	0	111.4	A595 C596 C599 F603	A595-M601 CarbonylContact C-O 3.23Å; A595-M601 WeakPolarHBondContact CA-O 3.37Å; C596-M601 PolarHBondContact N-O 3.16Å; C599-M601 PolarHBondContact O-N 3.48Å; C599-M601 WeakPolarHBondContact SG-CB 3.39Å; M601-F603 HydrophobicContact CB-CE2 4.17Å; M601-F603 HydrophobicContact CB-CZ 4.13Å; M601-F603 HydrophobicContact CG-CE1 4.37Å; M601-F603 HydrophobicContact CG-CE2 4.15Å; M601-F603 HydrophobicContact CG-CZ 3.7Å; M601-F603 WeakPolarHBondContact O-CE2 3.41Å; M601-F603 HydrophobicContact SD-CE1 4.22Å; M601-F603 HydrophobicContact SD-CZ 3.68Å
602	R	88.2	Confident	87.7	Confident	126 Å²	126	64.5 Å²	64.5	48%	0.475	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	143	-169.7	-53.6	-170.4	63.9	91.9	11	112.7	K592 P593 F594 A595 G600	K592-R602 HydrophobicContact CB-CB 3.62Å; K592-R602 HydrophobicContact CD-CB 4.42Å; K592-R602 WeakPolarHBondContact CD-O 3.38Å; K592-R602 PolarHBondContact O-NE 3.46Å; K592-R602 PolarHBondContact O-NH2 3.17Å; P593-R602 PolarHBondContact O-NH2 3.43Å; F594-R602 CarbonylContact O-C 3.57Å; F594-R602 VanDerWaalsContact O-CA 3.24Å; F594-R602 WeakPolarHBondContact O-CA 3.45Å; A595-R602 HydrophobicContact CB-CG 4.17Å; G600-R602 VanDerWaalsContact O-CG 3.28Å; G600-R602 WeakPolarHBondContact O-CG 3.48Å
603	F	87	Confident	87.8	Confident	25 Å²	25	62.8 Å²	62.8	11%	0.11	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148	-173.1	-57.6	-80.8	0	0	0	112.8	K592 P593 F594 C596 M601 R605 R608 L609 H612	K592-F603 CarbonylContact C-O 3.57Å; K592-F603 VanDerWaalsContact C-O 3.28Å; K592-F603 VanDerWaalsContact CA-O 3.31Å; K592-F603 WeakPolarHBondContact CA-O 3.34Å; P593-F603 WeakPolarHBondContact CD-O 3.29Å; F594-F603 HydrophobicContact CB-CB 4.42Å; F594-F603 PolarHBondContact N-O 2.97Å; F594-F603 PolarHBondContact O-N 3.29Å; C596-F603 HydrophobicContact CB-CE2 4.42Å; M601-F603 HydrophobicContact CB-CE2 4.17Å; M601-F603 HydrophobicContact CB-CZ 4.13Å; M601-F603 HydrophobicContact CG-CE1 4.37Å; M601-F603 HydrophobicContact CG-CE2 4.15Å; M601-F603 HydrophobicContact CG-CZ 3.7Å; M601-F603 WeakPolarHBondContact O-CE2 3.41Å; M601-F603 HydrophobicContact SD-CE1 4.22Å; M601-F603 HydrophobicContact SD-CZ 3.68Å; F603-R605 VanDerWaalsContact C-N 3.29Å; F603-R608 HydrophobicContact CB-CB 4.09Å; F603-R608 HydrophobicContact CD1-CB 3.88Å; F603-R608 HydrophobicContact CG-CB 4.17Å; F603-L609 HydrophobicContact CD2-CB 3.84Å; F603-L609 HydrophobicContact CD2-CD1 4.03Å; F603-L609 HydrophobicContact CE2-CD1 4.07Å; F603-L609 HydrophobicContact CG-CB 4.37Å; F603-H612 HydrophobicContact CE1-CB 4.16Å; F603-H612 HydrophobicContact CE2-CB 4Å; F603-H612 AromaticContact CE2-CD2 3.73Å; F603-H612 AromaticContact CE2-CG 3.77Å; F603-H612 HydrophobicContact CZ-CB 3.58Å; F603-H612 AromaticContact CZ-CD2 3.76Å; F603-H612 AromaticContact CZ-CE1 4Å; F603-H612 AromaticContact CZ-CG 3.35Å; F603-H612 AromaticContact CZ-ND1 3.53Å
604	T	85.4	Confident	88	Confident	18 Å²	18	62.3 Å²	62.3	11%	0.11	32%	0.322	C	S	.	.	S	Bend	trans	-71.1	-23.3	175.1	52.6	0	0	0	0	112.8	D384 K592	D384-T604 PolarHBondContact OD2-OG1 3.01Å; K592-T604 HydrophobicContact CG-CG2 4.03Å
605	R	85.5	Confident	87.9	Confident	21 Å²	21	64.9 Å²	64.9	8%	0.079	34%	0.337	C	S	.	.	S	Bend	trans	-139.5	143.5	-169.4	-56.1	170.2	-156.3	-148.6	-8.2	111.5	D384 D386 F603 Y607 R608 L609	D384-R605 IonicContact OD2-NE 3.59Å; D384-R605 IonicContact OD2-NH2 3.65Å; D386-R605 IonicContact OD1-CZ 2.8Å; D386-R605 VanDerWaalsContact OD1-CZ 3.24Å; D386-R605 IonicContact OD1-NH1 3.64Å; D386-R605 PolarHBondContact OD1-NH1 3.13Å; D386-R605 IonicContact OD1-NH2 3.64Å; D386-R605 PolarHBondContact OD1-NH2 3.37Å; D386-R605 IonicContact OD2-CZ 3.51Å; D386-R605 IonicContact OD2-NH1 3.55Å; D386-R605 IonicContact OD2-NH2 3.32Å; D386-R605 PolarHBondContact OD2-NH2 3.5Å; F603-R605 VanDerWaalsContact C-N 3.29Å; R605-Y607 HydrophobicContact CB-CD1 4.01Å; R605-Y607 HydrophobicContact CB-CE1 3.82Å; R605-Y607 VanDerWaalsContact CD-CE1 3.43Å; R605-Y607 VanDerWaalsContact CD-OH 3.26Å; R605-Y607 WeakPolarHBondContact CD-OH 3.48Å; R605-Y607 HydrophobicContact CG-CE1 4.14Å; R605-Y607 PolarHBondContact NH1-OH 3.31Å; R605-R608 HydrophobicContact CB-CB 4.47Å; R605-R608 HydrophobicContact CB-CG 4.13Å; R605-R608 WeakPolarHBondContact O-CB 3.45Å; R605-R608 PolarHBondContact O-N 3.35Å; R605-L609 PolarHBondContact O-N 3.48Å
606	Q	86.7	Confident	87.7	Confident	126 Å²	126	67.5 Å²	67.5	59%	0.589	34%	0.344	S	S	*	.	H	α-helix	trans	-65.5	-40.7	-178.5	-169.3	172.9	-12.9	0	0	113	F594 R608 L609 T610	F594-Q606 HydrophobicContact CD1-CB 3.96Å; F594-Q606 HydrophobicContact CD1-CG 4.19Å; F594-Q606 HydrophobicContact CE1-CB 3.67Å; F594-Q606 HydrophobicContact CE1-CG 4.09Å; F594-Q606 HydrophobicContact CE2-CB 4.26Å; F594-Q606 VanDerWaalsContact CE2-N 3.35Å; F594-Q606 HydrophobicContact CG-CB 4.37Å; F594-Q606 HydrophobicContact CZ-CB 3.84Å; Q606-R608 PolarHBondContact O-N 3.07Å; Q606-L609 WeakPolarHBondContact O-CB 3.38Å; Q606-L609 PolarHBondContact O-N 3.43Å; Q606-L609 VanDerWaalsContact O-N 3.09Å; Q606-T610 PolarHBondContact O-N 3.26Å; Q606-T610 PolarHBondContact O-OG1 2.93Å
607	Y	85.6	Confident	87.4	Confident	120 Å²	120	70.4 Å²	70.4	47%	0.471	37%	0.365	S	S	.	.	H	α-helix	trans	-64.6	-28.7	178.9	75.5	-100	0	0	0	112.9	R605 T610 E611	R605-Y607 HydrophobicContact CB-CD1 4.01Å; R605-Y607 HydrophobicContact CB-CE1 3.82Å; R605-Y607 VanDerWaalsContact CD-CE1 3.43Å; R605-Y607 VanDerWaalsContact CD-OH 3.26Å; R605-Y607 WeakPolarHBondContact CD-OH 3.48Å; R605-Y607 HydrophobicContact CG-CE1 4.14Å; R605-Y607 PolarHBondContact NH1-OH 3.31Å; Y607-T610 PolarHBondContact O-N 3.36Å; Y607-E611 VanDerWaalsContact O-CB 3.25Å; Y607-E611 WeakPolarHBondContact O-CB 3.33Å; Y607-E611 PolarHBondContact O-N 3.37Å
608	R	86.5	Confident	87.2	Confident	66 Å²	66	65 Å²	65	25%	0.249	35%	0.347	C	S	.	.	H	α-helix	trans	-66.5	-40.9	173.5	-71.6	-70.8	-153.5	-170.8	9.6	110.7	D384 F603 R605 Q606 E611 H612	D384-R608 IonicContact OD1-CZ 2.72Å; D384-R608 IonicContact OD1-NE 3.72Å; D384-R608 IonicContact OD1-NH2 3.87Å; D384-R608 PolarHBondContact OD1-NH2 2.95Å; F603-R608 HydrophobicContact CB-CB 4.09Å; F603-R608 HydrophobicContact CD1-CB 3.88Å; F603-R608 HydrophobicContact CG-CB 4.17Å; R605-R608 HydrophobicContact CB-CB 4.47Å; R605-R608 HydrophobicContact CB-CG 4.13Å; R605-R608 WeakPolarHBondContact O-CB 3.45Å; R605-R608 PolarHBondContact O-N 3.35Å; Q606-R608 PolarHBondContact O-N 3.07Å; R608-E611 IonicContact NH1-OE2 3.73Å; R608-E611 PolarHBondContact O-N 2.82Å; R608-H612 VanDerWaalsContact O-CB 3.27Å; R608-H612 WeakPolarHBondContact O-CB 3.36Å; R608-H612 PolarHBondContact O-N 3.2Å
609	L	90.7	Very high	87.2	Confident	30 Å²	30	67 Å²	67	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-49	170.6	171.8	60	0	0	0	111	F594 A595 C596 F603 R605 Q606 E611 H612 M613	F594-L609 HydrophobicContact CB-CB 4.33Å; F594-L609 HydrophobicContact CB-CD2 4.03Å; A595-L609 VanDerWaalsContact O-CD2 3.24Å; A595-L609 WeakPolarHBondContact O-CD2 3.35Å; C596-L609 HydrophobicContact CB-CD1 3.74Å; F603-L609 HydrophobicContact CD2-CB 3.84Å; F603-L609 HydrophobicContact CD2-CD1 4.03Å; F603-L609 HydrophobicContact CE2-CD1 4.07Å; F603-L609 HydrophobicContact CG-CB 4.37Å; R605-L609 PolarHBondContact O-N 3.48Å; Q606-L609 WeakPolarHBondContact O-CB 3.38Å; Q606-L609 PolarHBondContact O-N 3.43Å; Q606-L609 VanDerWaalsContact O-N 3.09Å; L609-E611 VanDerWaalsContact C-N 3.3Å; L609-E611 PolarHBondContact O-N 3.43Å; L609-H612 CarbonylContact O-C 3.53Å; L609-H612 PolarHBondContact O-N 3.05Å; L609-H612 VanDerWaalsContact O-N 3.13Å; L609-M613 HydrophobicContact CD1-CG 4.08Å; L609-M613 HydrophobicContact CD1-SD 4.09Å; L609-M613 HydrophobicContact CG-CG 4.46Å; L609-M613 WeakPolarHBondContact O-CG 3.39Å; L609-M613 PolarHBondContact O-N 3.02Å
610	T	87.8	Confident	87	Confident	74 Å²	74	69.7 Å²	69.7	45%	0.454	35%	0.352	S	S	.	.	H	α-helix	trans	-60.2	-38	177.5	-49.6	0	0	0	0	112.7	Q606 Y607	Q606-T610 PolarHBondContact O-N 3.26Å; Q606-T610 PolarHBondContact O-OG1 2.93Å; Y607-T610 PolarHBondContact O-N 3.36Å
611	E	86.6	Confident	87	Confident	27 Å²	27	71.1 Å²	71.1	13%	0.126	35%	0.352	C	S	.	.	H	α-helix	trans	-65.7	-41.6	173.8	176.4	167.3	-106.1	0	0	111.9	Y607 R608 L609 R614 Q633 R635	Y607-E611 VanDerWaalsContact O-CB 3.25Å; Y607-E611 WeakPolarHBondContact O-CB 3.33Å; Y607-E611 PolarHBondContact O-N 3.37Å; R608-E611 IonicContact NH1-OE2 3.73Å; R608-E611 PolarHBondContact O-N 2.82Å; L609-E611 VanDerWaalsContact C-N 3.3Å; L609-E611 PolarHBondContact O-N 3.43Å; E611-R614 WeakPolarHBondContact O-CB 3.27Å; E611-R614 PolarHBondContact O-N 2.94Å; E611-Q633 HydrophobicContact CG-CG 3.81Å; E611-Q633 WeakPolarHBondContact OE1-CG 3.49Å; E611-R635 IonicContact OE1-CZ 3.16Å; E611-R635 IonicContact OE1-NH1 3.86Å; E611-R635 PolarHBondContact OE1-NH1 3.21Å; E611-R635 IonicContact OE1-NH2 3.66Å; E611-R635 IonicContact OE2-CZ 2.65Å; E611-R635 VanDerWaalsContact OE2-CZ 3.32Å; E611-R635 IonicContact OE2-NH1 2.85Å; E611-R635 PolarHBondContact OE2-NH1 2.86Å; E611-R635 IonicContact OE2-NH2 2.81Å; E611-R635 PolarHBondContact OE2-NH2 3.36Å
612	H	89.4	Confident	87	Confident	21 Å²	21	69.7 Å²	69.7	10%	0.097	34%	0.343	C	S	.	.	H	α-helix	trans	-68.3	-36.9	176.3	168.5	89.9	0	0	0	112.8	C596 C599 F603 R608 L609 R614 I615 H616	C596-H612 PolarHBondContact SG-NE2 3.02Å; C596-H612 VanDerWaalsContact SG-NE2 3.45Å; C599-H612 PolarHBondContact SG-NE2 2.83Å; F603-H612 HydrophobicContact CE1-CB 4.16Å; F603-H612 HydrophobicContact CE2-CB 4Å; F603-H612 AromaticContact CE2-CD2 3.73Å; F603-H612 AromaticContact CE2-CG 3.77Å; F603-H612 HydrophobicContact CZ-CB 3.58Å; F603-H612 AromaticContact CZ-CD2 3.76Å; F603-H612 AromaticContact CZ-CE1 4Å; F603-H612 AromaticContact CZ-CG 3.35Å; F603-H612 AromaticContact CZ-ND1 3.53Å; R608-H612 VanDerWaalsContact O-CB 3.27Å; R608-H612 WeakPolarHBondContact O-CB 3.36Å; R608-H612 PolarHBondContact O-N 3.2Å; L609-H612 CarbonylContact O-C 3.53Å; L609-H612 PolarHBondContact O-N 3.05Å; L609-H612 VanDerWaalsContact O-N 3.13Å; H612-R614 PolarHBondContact O-N 2.61Å; H612-R614 VanDerWaalsContact O-N 3.08Å; H612-I615 VanDerWaalsContact O-CB 3.23Å; H612-I615 WeakPolarHBondContact O-CB 3.43Å; H612-I615 WeakPolarHBondContact O-CG1 3.43Å; H612-I615 PolarHBondContact O-N 3.4Å; H612-H616 AromaticContact NE2-CD2 3.82Å; H612-H616 AromaticContact NE2-NE2 3.38Å; H612-H616 PolarHBondContact NE2-NE2 3.44Å
613	M	88.1	Confident	87.1	Confident	67 Å²	67	67.4 Å²	67.4	33%	0.33	34%	0.337	S	S	.	.	H	α-helix	trans	-58	-25.9	176.8	-71.3	-54	-64.7	0	0	112.9	C596 L609 I615 H616 S617	C596-M613 HydrophobicContact CB-SD 4.39Å; C596-M613 PolarHBondContact SG-SD 2.94Å; L609-M613 HydrophobicContact CD1-CG 4.08Å; L609-M613 HydrophobicContact CD1-SD 4.09Å; L609-M613 HydrophobicContact CG-CG 4.46Å; L609-M613 WeakPolarHBondContact O-CG 3.39Å; L609-M613 PolarHBondContact O-N 3.02Å; M613-I615 PolarHBondContact O-N 3.07Å; M613-H616 WeakPolarHBondContact O-CB 3.41Å; M613-H616 PolarHBondContact O-N 3.2Å; M613-S617 PolarHBondContact O-N 3.01Å; M613-S617 PolarHBondContact O-OG 2.94Å
614	R	88.4	Confident	87.3	Confident	58 Å²	58	66.2 Å²	66.2	22%	0.219	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-20.4	174	-62.5	177.2	-178.4	166.3	-0.2	113.9	E611 H612 H616 S617 G618 E619 Y622 A632	E611-R614 WeakPolarHBondContact O-CB 3.27Å; E611-R614 PolarHBondContact O-N 2.94Å; H612-R614 PolarHBondContact O-N 2.61Å; H612-R614 VanDerWaalsContact O-N 3.08Å; R614-H616 VanDerWaalsContact C-N 3.34Å; R614-S617 WeakPolarHBondContact CA-OG 3.32Å; R614-G618 CarbonylContact O-C 3.52Å; R614-G618 VanDerWaalsContact O-CA 3.32Å; R614-G618 WeakPolarHBondContact O-CA 3.42Å; R614-G618 PolarHBondContact O-N 2.88Å; R614-E619 HydrophobicContact CG-CB 4.48Å; R614-E619 PolarHBondContact O-N 2.97Å; R614-Y622 VanDerWaalsContact NH1-CE2 3.32Å; R614-Y622 PolarHBondContact NH1-OH 3.47Å; R614-A632 HydrophobicContact CB-CB 4.13Å; R614-A632 VanDerWaalsContact CD-O 3.23Å; R614-A632 WeakPolarHBondContact CD-O 3.37Å; R614-A632 PolarHBondContact NH1-O 3.3Å
615	I	86.3	Confident	87.4	Confident	113 Å²	113	73.8 Å²	73.8	58%	0.579	37%	0.366	S	S	*	.	H	α-helix	trans	-69.9	-36.6	171.3	-54.5	173.2	0	0	0	109.7	H612 M613	H612-I615 VanDerWaalsContact O-CB 3.23Å; H612-I615 WeakPolarHBondContact O-CB 3.43Å; H612-I615 WeakPolarHBondContact O-CG1 3.43Å; H612-I615 PolarHBondContact O-N 3.4Å; M613-I615 PolarHBondContact O-N 3.07Å
616	H	86.9	Confident	87.4	Confident	85 Å²	85	76.7 Å²	76.7	39%	0.394	39%	0.386	S	S	.	.	H	α-helix	trans	-81.1	-37.5	178.6	-66.8	-57.3	0	0	0	113.6	C596 C599 H612 M613 R614 G618	C596-H616 VanDerWaalsContact SG-CD2 3.56Å; C596-H616 PolarHBondContact SG-NE2 3.37Å; C599-H616 PolarHBondContact SG-NE2 3.18Å; C599-H616 VanDerWaalsContact SG-NE2 3.45Å; H612-H616 AromaticContact NE2-CD2 3.82Å; H612-H616 AromaticContact NE2-NE2 3.38Å; H612-H616 PolarHBondContact NE2-NE2 3.44Å; M613-H616 WeakPolarHBondContact O-CB 3.41Å; M613-H616 PolarHBondContact O-N 3.2Å; R614-H616 VanDerWaalsContact C-N 3.34Å; H616-G618 VanDerWaalsContact C-N 3.34Å
617	S	85.3	Confident	87.5	Confident	64 Å²	64	74 Å²	74	45%	0.448	38%	0.38	S	S	.	.	H	α-helix	trans	-78.9	-17.5	173.9	63.1	0	0	0	0	113.3	M613 R614 E619	M613-S617 PolarHBondContact O-N 3.01Å; M613-S617 PolarHBondContact O-OG 2.94Å; R614-S617 WeakPolarHBondContact CA-OG 3.32Å; S617-E619 WeakPolarHBondContact CB-OE2 3.44Å; S617-E619 PolarHBondContact O-N 3.14Å; S617-E619 WeakPolarHBondContact OG-CB 3.27Å; S617-E619 VanDerWaalsContact OG-CD 3.23Å; S617-E619 VanDerWaalsContact OG-CG 3.24Å; S617-E619 WeakPolarHBondContact OG-CG 3.37Å; S617-E619 PolarHBondContact OG-N 2.84Å; S617-E619 PolarHBondContact OG-OE2 3.31Å
618	G	85.4	Confident	87.5	Confident	48 Å²	48	70 Å²	70	50%	0.495	38%	0.376	S	S	.	.			trans	71.7	6.9	-172.7	0	0	0	0	0	113.9	R614 H616 K620	R614-G618 CarbonylContact O-C 3.52Å; R614-G618 VanDerWaalsContact O-CA 3.32Å; R614-G618 WeakPolarHBondContact O-CA 3.42Å; R614-G618 PolarHBondContact O-N 2.88Å; H616-G618 VanDerWaalsContact C-N 3.34Å; G618-K620 PolarHBondContact O-N 2.68Å
619	E	85.8	Confident	87.6	Confident	117 Å²	117	67.9 Å²	67.9	55%	0.547	37%	0.374	S	S	.	.			trans	-66.9	124.6	-174.3	-73.4	167.4	138.1	0	0	112.2	R614 S617 P621	R614-E619 HydrophobicContact CG-CB 4.48Å; R614-E619 PolarHBondContact O-N 2.97Å; S617-E619 WeakPolarHBondContact CB-OE2 3.44Å; S617-E619 PolarHBondContact O-N 3.14Å; S617-E619 WeakPolarHBondContact OG-CB 3.27Å; S617-E619 VanDerWaalsContact OG-CD 3.23Å; S617-E619 VanDerWaalsContact OG-CG 3.24Å; S617-E619 WeakPolarHBondContact OG-CG 3.37Å; S617-E619 PolarHBondContact OG-N 2.84Å; S617-E619 PolarHBondContact OG-OE2 3.31Å; E619-P621 VanDerWaalsContact C-CD 3.46Å; E619-P621 VanDerWaalsContact O-CD 3.32Å; E619-P621 WeakPolarHBondContact O-CD 3.44Å
620	K	86.7	Confident	87.5	Confident	125 Å²	125	71.5 Å²	71.5	54%	0.543	39%	0.389	S	S	.	.			trans	-121.9	72.3	179.8	-69.8	171.4	173.8	-168.7	0	109.9	G618 Y622 K630 F631	G618-K620 PolarHBondContact O-N 2.68Å; K620-Y622 VanDerWaalsContact C-N 3.25Å; K620-Y622 PolarHBondContact O-N 2.98Å; K620-K630 HydrophobicContact CB-CB 3.64Å; K620-K630 HydrophobicContact CD-CB 4.24Å; K620-K630 WeakPolarHBondContact CD-O 3.41Å; K620-F631 CarbonylContact C-O 3.54Å; K620-F631 VanDerWaalsContact C-O 3.25Å; K620-F631 VanDerWaalsContact CA-O 3.28Å; K620-F631 WeakPolarHBondContact CA-O 3.38Å
621	P	85.6	Confident	87.5	Confident	78 Å²	78	70.1 Å²	70.1	51%	0.506	38%	0.376	S	S	.	.			trans	-73.6	-11	-170.5	30.5	-36.8	0	0	0	114.3	E619	E619-P621 VanDerWaalsContact C-CD 3.46Å; E619-P621 VanDerWaalsContact O-CD 3.32Å; E619-P621 WeakPolarHBondContact O-CD 3.44Å
622	Y	88.6	Confident	87.4	Confident	55 Å²	55	69.9 Å²	69.9	22%	0.216	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.6	178.4	-49.7	-76	0	0	0	109.9	R614 K620 K630 F631 A632 Q634	R614-Y622 VanDerWaalsContact NH1-CE2 3.32Å; R614-Y622 PolarHBondContact NH1-OH 3.47Å; K620-Y622 VanDerWaalsContact C-N 3.25Å; K620-Y622 PolarHBondContact O-N 2.98Å; Y622-K630 CarbonylContact O-C 3.57Å; Y622-K630 WeakPolarHBondContact O-CA 3.19Å; Y622-F631 WeakPolarHBondContact CD2-O 3.2Å; Y622-F631 PolarHBondContact N-O 2.97Å; Y622-F631 PolarHBondContact O-N 3.38Å; Y622-A632 WeakPolarHBondContact CE2-O 3.29Å; Y622-Q634 HydrophobicContact CD1-CB 4.09Å; Y622-Q634 HydrophobicContact CD1-CG 4.29Å; Y622-Q634 HydrophobicContact CD2-CB 4.41Å; Y622-Q634 HydrophobicContact CE1-CB 3.8Å; Y622-Q634 HydrophobicContact CE1-CG 4.18Å; Y622-Q634 HydrophobicContact CE2-CB 4.12Å; Y622-Q634 VanDerWaalsContact CE2-N 3.28Å; Y622-Q634 HydrophobicContact CG-CB 4.39Å
623	E	91.2	Very high	87.3	Confident	77 Å²	77	70.4 Å²	70.4	36%	0.36	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.4	-177	-177.5	158.9	-163	0	0	111.5	Q625 K630	E623-Q625 PolarHBondContact O-N 3.2Å; E623-K630 HydrophobicContact CB-CG 4.38Å; E623-K630 HydrophobicContact CG-CD 4.48Å; E623-K630 HydrophobicContact CG-CG 4.1Å; E623-K630 WeakPolarHBondContact OE1-CE 3.3Å; E623-K630 IonicContact OE1-NZ 2.9Å; E623-K630 PolarHBondContact OE1-NZ 2.76Å; E623-K630 WeakPolarHBondContact OE2-CE 3.5Å; E623-K630 IonicContact OE2-NZ 2.66Å; E623-K630 PolarHBondContact OE2-NZ 2.87Å
624	C	91.1	Very high	87.1	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.385	C	S	.	.			trans	-76.6	112	174.8	178.6	0	0	0	0	110.3	V626 C627 G628 G629 F631 L637 H640 M641 H644	C624-V626 PolarHBondContact O-N 3.32Å; C624-V626 VanDerWaalsContact O-N 3.09Å; C624-V626 PolarHBondContact SG-N 3.26Å; C624-C627 PolarHBondContact O-N 2.93Å; C624-C627 VanDerWaalsContact SG-SG 3.66Å; C624-G628 WeakPolarHBondContact O-CA 3.35Å; C624-G628 PolarHBondContact O-N 2.87Å; C624-G629 WeakPolarHBondContact CB-O 3.33Å; C624-G629 PolarHBondContact N-O 3.03Å; C624-F631 HydrophobicContact CB-CE2 4.3Å; C624-L637 HydrophobicContact CB-CD1 3.68Å; C624-H640 PolarHBondContact SG-NE2 3.18Å; C624-H640 VanDerWaalsContact SG-NE2 3.44Å; C624-M641 HydrophobicContact CB-SD 4.5Å; C624-M641 PolarHBondContact SG-SD 2.78Å; C624-H644 PolarHBondContact SG-NE2 3.35Å; C624-H644 VanDerWaalsContact SG-NE2 3.35Å
625	Q	87.3	Confident	86.9	Confident	177 Å²	177	73.9 Å²	73.9	83%	0.827	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.5	178.3	-59	-63.6	-15	0	0	114	E623	E623-Q625 PolarHBondContact O-N 3.2Å
626	V	84.9	Confident	86.9	Confident	82 Å²	82	71.6 Å²	71.6	50%	0.497	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-30.1	179.3	-174.6	0	0	0	0	112.3	C624 M641	C624-V626 PolarHBondContact O-N 3.32Å; C624-V626 VanDerWaalsContact O-N 3.09Å; C624-V626 PolarHBondContact SG-N 3.26Å; V626-M641 HydrophobicContact CG2-CE 3.9Å; V626-M641 HydrophobicContact CG2-SD 4.34Å
627	C	88.7	Confident	86.9	Confident	69 Å²	69	68.9 Å²	68.9	47%	0.466	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	3.1	-173.1	73.3	0	0	0	0	116	C624 G629 H640	C624-C627 PolarHBondContact O-N 2.93Å; C624-C627 VanDerWaalsContact SG-SG 3.66Å; C627-G629 PolarHBondContact O-N 2.82Å; C627-G629 PolarHBondContact SG-N 3.18Å; C627-G629 VanDerWaalsContact SG-N 3.44Å; C627-H640 PolarHBondContact SG-NE2 3.37Å
628	G	87.3	Confident	87	Confident	37 Å²	37	69.6 Å²	69.6	38%	0.381	37%	0.37	S	S	.	.			trans	70.3	6.4	-175.4	0	0	0	0	0	114.9	C624 K630	C624-G628 WeakPolarHBondContact O-CA 3.35Å; C624-G628 PolarHBondContact O-N 2.87Å; G628-K630 WeakPolarHBondContact O-CG 3.4Å; G628-K630 PolarHBondContact O-N 2.89Å
629	G	88.1	Confident	87	Confident	21 Å²	21	70.8 Å²	70.8	22%	0.216	37%	0.371	C	S	.	.			trans	-64	121.3	179.5	0	0	0	0	0	111.7	C624 C627 F631	C624-G629 WeakPolarHBondContact CB-O 3.33Å; C624-G629 PolarHBondContact N-O 3.03Å; C627-G629 PolarHBondContact O-N 2.82Å; C627-G629 PolarHBondContact SG-N 3.18Å; C627-G629 VanDerWaalsContact SG-N 3.44Å; G629-F631 WeakPolarHBondContact O-CD2 3.34Å; G629-F631 WeakPolarHBondContact O-CE2 3.44Å
630	K	89.1	Confident	87.1	Confident	106 Å²	106	66.6 Å²	66.6	46%	0.461	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.6	-176.7	-44.2	-160.3	-170.3	-136.2	0	112.4	K620 Y622 E623 G628	K620-K630 HydrophobicContact CB-CB 3.64Å; K620-K630 HydrophobicContact CD-CB 4.24Å; K620-K630 WeakPolarHBondContact CD-O 3.41Å; Y622-K630 CarbonylContact O-C 3.57Å; Y622-K630 WeakPolarHBondContact O-CA 3.19Å; E623-K630 HydrophobicContact CB-CG 4.38Å; E623-K630 HydrophobicContact CG-CD 4.48Å; E623-K630 HydrophobicContact CG-CG 4.1Å; E623-K630 WeakPolarHBondContact OE1-CE 3.3Å; E623-K630 IonicContact OE1-NZ 2.9Å; E623-K630 PolarHBondContact OE1-NZ 2.76Å; E623-K630 WeakPolarHBondContact OE2-CE 3.5Å; E623-K630 IonicContact OE2-NZ 2.66Å; E623-K630 PolarHBondContact OE2-NZ 2.87Å; G628-K630 WeakPolarHBondContact O-CG 3.4Å; G628-K630 PolarHBondContact O-N 2.89Å
631	F	86.7	Confident	86.9	Confident	45 Å²	45	61.9 Å²	61.9	20%	0.197	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.2	-173.5	-57.4	-85.4	0	0	0	111.7	K620 Y622 C624 G629 Q633 N636 L637 H640	K620-F631 CarbonylContact C-O 3.54Å; K620-F631 VanDerWaalsContact C-O 3.25Å; K620-F631 VanDerWaalsContact CA-O 3.28Å; K620-F631 WeakPolarHBondContact CA-O 3.38Å; Y622-F631 WeakPolarHBondContact CD2-O 3.2Å; Y622-F631 PolarHBondContact N-O 2.97Å; Y622-F631 PolarHBondContact O-N 3.38Å; C624-F631 HydrophobicContact CB-CE2 4.3Å; G629-F631 WeakPolarHBondContact O-CD2 3.34Å; G629-F631 WeakPolarHBondContact O-CE2 3.44Å; F631-Q633 VanDerWaalsContact C-N 3.32Å; F631-N636 HydrophobicContact CB-CB 4.37Å; F631-N636 HydrophobicContact CD1-CB 3.97Å; F631-N636 HydrophobicContact CG-CB 4.42Å; F631-L637 HydrophobicContact CB-CB 4.47Å; F631-L637 HydrophobicContact CD2-CB 3.99Å; F631-L637 HydrophobicContact CD2-CD1 3.97Å; F631-L637 HydrophobicContact CE2-CD1 4.08Å; F631-L637 HydrophobicContact CG-CB 4.39Å; F631-H640 HydrophobicContact CE1-CB 4.1Å; F631-H640 HydrophobicContact CE2-CB 4.02Å; F631-H640 AromaticContact CE2-CD2 3.62Å; F631-H640 AromaticContact CE2-CG 3.73Å; F631-H640 HydrophobicContact CZ-CB 3.58Å; F631-H640 AromaticContact CZ-CD2 3.66Å; F631-H640 AromaticContact CZ-CG 3.31Å; F631-H640 AromaticContact CZ-ND1 3.56Å
632	A	85.3	Confident	86.8	Confident	23 Å²	23	65.1 Å²	65.1	19%	0.19	34%	0.337	C	S	.	.	S	Bend	trans	-77.7	-16.6	175.9	0	0	0	0	0	113.6	R614 Y622	R614-A632 HydrophobicContact CB-CB 4.13Å; R614-A632 VanDerWaalsContact CD-O 3.23Å; R614-A632 WeakPolarHBondContact CD-O 3.37Å; R614-A632 PolarHBondContact NH1-O 3.3Å; Y622-A632 WeakPolarHBondContact CE2-O 3.29Å
633	Q	85.9	Confident	86.4	Confident	32 Å²	32	68.3 Å²	68.3	15%	0.15	36%	0.356	C	S	.	.	S	Bend	trans	-135.7	135.1	-169.3	-55	179.9	-17.3	0	0	110.6	E611 F631 R635 N636 L637	E611-Q633 HydrophobicContact CG-CG 3.81Å; E611-Q633 WeakPolarHBondContact OE1-CG 3.49Å; F631-Q633 VanDerWaalsContact C-N 3.32Å; Q633-R635 HydrophobicContact CB-CG 4.28Å; Q633-R635 PolarHBondContact O-N 2.99Å; Q633-R635 VanDerWaalsContact OE1-CZ 3.24Å; Q633-N636 HydrophobicContact CB-CB 4.38Å; Q633-N636 PolarHBondContact O-N 2.79Å; Q633-N636 VanDerWaalsContact O-N 3.15Å; Q633-N636 PolarHBondContact OE1-ND2 2.71Å; Q633-L637 PolarHBondContact O-N 3.4Å
634	Q	84.4	Confident	85.7	Confident	83 Å²	83	68.1 Å²	68.1	39%	0.388	36%	0.355	S	S	.	.	H	α-helix	trans	-65.6	-36.9	-176.9	-170.2	174.3	-8.9	0	0	112.3	Y622 N636 L637 I638	Y622-Q634 HydrophobicContact CD1-CB 4.09Å; Y622-Q634 HydrophobicContact CD1-CG 4.29Å; Y622-Q634 HydrophobicContact CD2-CB 4.41Å; Y622-Q634 HydrophobicContact CE1-CB 3.8Å; Y622-Q634 HydrophobicContact CE1-CG 4.18Å; Y622-Q634 HydrophobicContact CE2-CB 4.12Å; Y622-Q634 VanDerWaalsContact CE2-N 3.28Å; Y622-Q634 HydrophobicContact CG-CB 4.39Å; Q634-N636 PolarHBondContact O-N 3.26Å; Q634-L637 PolarHBondContact O-N 2.6Å; Q634-I638 HydrophobicContact CG-CD1 4.09Å; Q634-I638 WeakPolarHBondContact O-CG1 3.35Å; Q634-I638 PolarHBondContact O-N 2.85Å
635	R	83.8	Confident	84.7	Confident	114 Å²	114	71.2 Å²	71.2	43%	0.43	38%	0.377	S	S	.	.	H	α-helix	trans	-58	-34.4	174.3	61.4	171.5	177.8	-79.8	2.2	112.8	E611 Q633 I638 S639	E611-R635 IonicContact OE1-CZ 3.16Å; E611-R635 IonicContact OE1-NH1 3.86Å; E611-R635 PolarHBondContact OE1-NH1 3.21Å; E611-R635 IonicContact OE1-NH2 3.66Å; E611-R635 IonicContact OE2-CZ 2.65Å; E611-R635 VanDerWaalsContact OE2-CZ 3.32Å; E611-R635 IonicContact OE2-NH1 2.85Å; E611-R635 PolarHBondContact OE2-NH1 2.86Å; E611-R635 IonicContact OE2-NH2 2.81Å; E611-R635 PolarHBondContact OE2-NH2 3.36Å; Q633-R635 HydrophobicContact CB-CG 4.28Å; Q633-R635 PolarHBondContact O-N 2.99Å; Q633-R635 VanDerWaalsContact OE1-CZ 3.24Å; R635-I638 PolarHBondContact O-N 3.31Å; R635-S639 WeakPolarHBondContact O-CB 3.36Å; R635-S639 PolarHBondContact O-N 3.06Å
636	N	86.1	Confident	83.3	Confident	66 Å²	66	65 Å²	65	35%	0.353	36%	0.36	S	S	.	.	H	α-helix	trans	-75.1	-36.5	179.5	-61.2	-5.9	0	0	0	111.1	F631 Q633 Q634 H640	F631-N636 HydrophobicContact CB-CB 4.37Å; F631-N636 HydrophobicContact CD1-CB 3.97Å; F631-N636 HydrophobicContact CG-CB 4.42Å; Q633-N636 HydrophobicContact CB-CB 4.38Å; Q633-N636 PolarHBondContact O-N 2.79Å; Q633-N636 VanDerWaalsContact O-N 3.15Å; Q633-N636 PolarHBondContact OE1-ND2 2.71Å; Q634-N636 PolarHBondContact O-N 3.26Å; N636-H640 WeakPolarHBondContact O-CB 3.32Å; N636-H640 PolarHBondContact O-N 3.04Å
637	L	88.5	Confident	82.3	Confident	27 Å²	27	65.2 Å²	65.2	14%	0.141	38%	0.379	C	S	.	.	H	α-helix	trans	-62.8	-46.4	168.8	174.4	60.2	0	0	0	111.1	C624 F631 Q633 Q634 S639 H640 M641	C624-L637 HydrophobicContact CB-CD1 3.68Å; F631-L637 HydrophobicContact CB-CB 4.47Å; F631-L637 HydrophobicContact CD2-CB 3.99Å; F631-L637 HydrophobicContact CD2-CD1 3.97Å; F631-L637 HydrophobicContact CE2-CD1 4.08Å; F631-L637 HydrophobicContact CG-CB 4.39Å; Q633-L637 PolarHBondContact O-N 3.4Å; Q634-L637 PolarHBondContact O-N 2.6Å; L637-S639 PolarHBondContact O-N 3.18Å; L637-H640 WeakPolarHBondContact O-CB 3.35Å; L637-H640 PolarHBondContact O-N 3.29Å; L637-M641 HydrophobicContact CD1-CG 3.99Å; L637-M641 HydrophobicContact CD1-SD 4.32Å; L637-M641 HydrophobicContact CG-CG 4.35Å; L637-M641 VanDerWaalsContact O-CG 3.3Å; L637-M641 WeakPolarHBondContact O-CG 3.27Å; L637-M641 PolarHBondContact O-N 3.3Å
638	I	87.3	Confident	80.2	Confident	79 Å²	79	65 Å²	65	41%	0.405	39%	0.388	S	S	.	.	H	α-helix	trans	-61.5	-44.7	179.5	-67.4	166.2	0	0	0	111.1	Q634 R635 M641 K642	Q634-I638 HydrophobicContact CG-CD1 4.09Å; Q634-I638 WeakPolarHBondContact O-CG1 3.35Å; Q634-I638 PolarHBondContact O-N 2.85Å; R635-I638 PolarHBondContact O-N 3.31Å; I638-M641 PolarHBondContact O-N 2.89Å; I638-K642 PolarHBondContact O-N 3.18Å
639	S	84.9	Confident	78.3	Confident	73 Å²	73	70.8 Å²	70.8	51%	0.51	42%	0.416	S	S	.	.	H	α-helix	trans	-62.4	-43	175.3	-167.8	0	0	0	0	111.9	R635 L637 M641 K642	R635-S639 WeakPolarHBondContact O-CB 3.36Å; R635-S639 PolarHBondContact O-N 3.06Å; L637-S639 PolarHBondContact O-N 3.18Å; S639-M641 PolarHBondContact O-N 2.86Å; S639-K642 WeakPolarHBondContact O-CB 3.43Å; S639-K642 PolarHBondContact O-N 3.03Å
640	H	86.9	Confident	76	Confident	30 Å²	30	73.5 Å²	73.5	14%	0.139	44%	0.444	C	S	.	.	H	α-helix	trans	-61.9	-40	173.9	172.9	80.6	0	0	0	112.9	C624 C627 F631 N636 L637 K642 M643 H644	C624-H640 PolarHBondContact SG-NE2 3.18Å; C624-H640 VanDerWaalsContact SG-NE2 3.44Å; C627-H640 PolarHBondContact SG-NE2 3.37Å; F631-H640 HydrophobicContact CE1-CB 4.1Å; F631-H640 HydrophobicContact CE2-CB 4.02Å; F631-H640 AromaticContact CE2-CD2 3.62Å; F631-H640 AromaticContact CE2-CG 3.73Å; F631-H640 HydrophobicContact CZ-CB 3.58Å; F631-H640 AromaticContact CZ-CD2 3.66Å; F631-H640 AromaticContact CZ-CG 3.31Å; F631-H640 AromaticContact CZ-ND1 3.56Å; N636-H640 WeakPolarHBondContact O-CB 3.32Å; N636-H640 PolarHBondContact O-N 3.04Å; L637-H640 WeakPolarHBondContact O-CB 3.35Å; L637-H640 PolarHBondContact O-N 3.29Å; H640-K642 VanDerWaalsContact C-N 3.26Å; H640-K642 PolarHBondContact O-N 3.38Å; H640-M643 VanDerWaalsContact ND1-CE 3.34Å; H640-M643 WeakPolarHBondContact ND1-CE 3.31Å; H640-M643 WeakPolarHBondContact O-CB 3.33Å; H640-M643 PolarHBondContact O-N 2.57Å; H640-H644 AromaticContact CD2-NE2 3.64Å; H640-H644 AromaticContact CE1-NE2 3.6Å; H640-H644 AromaticContact NE2-CD2 3.84Å; H640-H644 AromaticContact NE2-CE1 3.89Å; H640-H644 AromaticContact NE2-NE2 2.97Å; H640-H644 PolarHBondContact NE2-NE2 2.81Å
641	M	83.2	Confident	73.5	Confident	25 Å²	25	72.6 Å²	72.6	12%	0.123	47%	0.465	C	S	.	.	H	α-helix	trans	-61.8	-32.9	175.6	-71.7	-60.7	-62.4	0	0	112.2	C624 V626 L637 I638 S639 M643 H644 S645 P669	C624-M641 HydrophobicContact CB-SD 4.5Å; C624-M641 PolarHBondContact SG-SD 2.78Å; V626-M641 HydrophobicContact CG2-CE 3.9Å; V626-M641 HydrophobicContact CG2-SD 4.34Å; L637-M641 HydrophobicContact CD1-CG 3.99Å; L637-M641 HydrophobicContact CD1-SD 4.32Å; L637-M641 HydrophobicContact CG-CG 4.35Å; L637-M641 VanDerWaalsContact O-CG 3.3Å; L637-M641 WeakPolarHBondContact O-CG 3.27Å; L637-M641 PolarHBondContact O-N 3.3Å; I638-M641 PolarHBondContact O-N 2.89Å; S639-M641 PolarHBondContact O-N 2.86Å; M641-M643 PolarHBondContact O-N 3.3Å; M641-H644 PolarHBondContact O-N 3.37Å; M641-S645 PolarHBondContact O-N 3.23Å; M641-P669 HydrophobicContact CE-CB 4.48Å
642	K	84.1	Confident	71	Confident	146 Å²	146	73.9 Å²	73.9	64%	0.635	49%	0.491	S	S	*	.	H	α-helix	trans	-61.4	-26	173.1	-64.7	178.6	-179	-176.7	0	112.6	I638 S639 H640 S645 G646	I638-K642 PolarHBondContact O-N 3.18Å; S639-K642 WeakPolarHBondContact O-CB 3.43Å; S639-K642 PolarHBondContact O-N 3.03Å; H640-K642 VanDerWaalsContact C-N 3.26Å; H640-K642 PolarHBondContact O-N 3.38Å; K642-S645 PolarHBondContact O-N 2.86Å; K642-G646 PolarHBondContact O-N 3.42Å
643	M	79.1	Confident	68.7	Low	123 Å²	123	81.4 Å²	81.4	61%	0.606	53%	0.527	S	S	*	.	H	α-helix	trans	-75.6	-21.2	175	-50.7	-168.8	-50	0	0	113.4	H640 M641	H640-M643 VanDerWaalsContact ND1-CE 3.34Å; H640-M643 WeakPolarHBondContact ND1-CE 3.31Å; H640-M643 WeakPolarHBondContact O-CB 3.33Å; H640-M643 PolarHBondContact O-N 2.57Å; M641-M643 PolarHBondContact O-N 3.3Å
644	H	78.1	Confident	66.5	Low	73 Å²	73	85.3 Å²	85.3	34%	0.338	55%	0.553	S	S	.	*	H	α-helix	trans	-81.1	-33.5	171.4	-64.4	-58.6	0	0	0	111.7	C624 H640 M641	C624-H644 PolarHBondContact SG-NE2 3.35Å; C624-H644 VanDerWaalsContact SG-NE2 3.35Å; H640-H644 AromaticContact CD2-NE2 3.64Å; H640-H644 AromaticContact CE1-NE2 3.6Å; H640-H644 AromaticContact NE2-CD2 3.84Å; H640-H644 AromaticContact NE2-CE1 3.89Å; H640-H644 AromaticContact NE2-NE2 2.97Å; H640-H644 PolarHBondContact NE2-NE2 2.81Å; M641-H644 PolarHBondContact O-N 3.37Å
645	S	68.6	Low	64.5	Low	65 Å²	65	86 Å²	86	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-85.1	-31.7	178.6	-53.4	0	0	0	0	113.8	M641 K642	M641-S645 PolarHBondContact O-N 3.23Å; K642-S645 PolarHBondContact O-N 2.86Å
646	G	58.3	Low	62.4	Low	47 Å²	47	87.4 Å²	87.4	49%	0.485	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.6	101.8	177.2	0	0	0	0	0	111.2	K642 G648	K642-G646 PolarHBondContact O-N 3.42Å; G646-G648 PolarHBondContact O-N 2.99Å; G646-G648 VanDerWaalsContact O-N 3.1Å
647	G	64	Low	60.3	Low	86 Å²	86	88 Å²	88	89%	0.887	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	109.8	-169.2	0	0	0	0	0	115
648	G	44	Very low	58.2	Low	63 Å²	63	95.8 Å²	95.8	65%	0.649	64%	0.644	S	S	*	*			trans	-140.3	121.1	173.8	0	0	0	0	0	111.4	G646 G650	G646-G648 PolarHBondContact O-N 2.99Å; G646-G648 VanDerWaalsContact O-N 3.1Å; G648-G650 PolarHBondContact O-N 2.81Å
649	T	49	Very low	55.5	Low	159 Å²	159	99 Å²	99	98%	0.975	66%	0.661	S	S	*	*			trans	-59.2	122.2	-170.4	46.2	0	0	0	0	114.3
650	G	37.8	Very low	53.1	Low	79 Å²	79	103.5 Å²	103.5	81%	0.814	67%	0.672	S	S	*	*			trans	-133.1	12	-168.7	0	0	0	0	0	118.6	G648	G648-G650 PolarHBondContact O-N 2.81Å
651	G	38	Very low	50.5	Low	86 Å²	86	108.4 Å²	108.4	89%	0.887	70%	0.698	S	S	*	*			trans	79.7	104.7	167	0	0	0	0	0	117.2
652	G	33	Very low	48.1	Very low	72 Å²	72	112.2 Å²	112.2	74%	0.742	72%	0.719	S	S	*	*			trans	-173.8	41.1	178.8	0	0	0	0	0	114.7	T654	G652-T654 PolarHBondContact O-N 3.29Å
653	L	37.7	Very low	45.7	Very low	182 Å²	182	114.9 Å²	114.9	95%	0.953	73%	0.731	S	S	*	*			trans	-75.9	103.5	-178.2	-67.1	175.4	0	0	0	111.8
654	T	39.3	Very low	43.8	Very low	114 Å²	114	113.1 Å²	113.1	70%	0.699	74%	0.736	S	S	*	*			trans	-79.1	140.3	158.2	52.2	0	0	0	0	109.9	G652 D656	G652-T654 PolarHBondContact O-N 3.29Å; T654-D656 PolarHBondContact O-N 3.16Å
655	A	42.2	Very low	41.9	Very low	98 Å²	98	117 Å²	117	81%	0.81	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-15.5	-169.5	0	0	0	0	0	115	G657	A655-G657 VanDerWaalsContact C-N 3.32Å; A655-G657 PolarHBondContact O-N 3.41Å
656	D	40.1	Very low	40.6	Very low	142 Å²	142	115.8 Å²	115.8	76%	0.759	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	21.3	-163	-51.8	-65.3	0	0	0	115.3	T654 K658	T654-D656 PolarHBondContact O-N 3.16Å; D656-K658 VanDerWaalsContact C-N 3.26Å; D656-K658 PolarHBondContact O-N 2.84Å
657	G	42.9	Very low	39.9	Very low	80 Å²	80	120 Å²	120	83%	0.825	76%	0.762	S	S	*	*			trans	59.5	10.7	151.3	0	0	0	0	0	119.6	A655	A655-G657 VanDerWaalsContact C-N 3.32Å; A655-G657 PolarHBondContact O-N 3.41Å
658	K	44.5	Very low	38.9	Very low	190 Å²	190	122.7 Å²	122.7	83%	0.826	75%	0.747	S	S	*	*			trans	-149	71.3	-169.8	-160.3	-175.1	-179	-176.8	0	115.6	D656	D656-K658 VanDerWaalsContact C-N 3.26Å; D656-K658 PolarHBondContact O-N 2.84Å
659	L	30.2	Very low	39	Very low	147 Å²	147	122.4 Å²	122.4	77%	0.77	73%	0.733	S	S	*	*			trans	-131.1	100.9	153.6	-79.3	-179.2	0	0	0	110.8	L661	L659-L661 PolarHBondContact O-N 3.21Å
660	K	33.6	Very low	38.6	Very low	167 Å²	167	119 Å²	119	73%	0.726	71%	0.709	S	S	*	*			trans	-83	90.2	159	-177.9	-175	-177.2	-101.2	0	106.8	D662	K660-D662 WeakPolarHBondContact CE-OD1 3.4Å; K660-D662 IonicContact NZ-OD1 3.73Å; K660-D662 PolarHBondContact NZ-OD1 2.9Å; K660-D662 IonicContact NZ-OD2 3.24Å
661	L	32.3	Very low	39	Very low	132 Å²	132	118.3 Å²	118.3	69%	0.691	69%	0.691	S	S	*	*			trans	-83	120.8	166.7	-73.4	168.9	0	0	0	107.8	L659 F663	L659-L661 PolarHBondContact O-N 3.21Å; L661-F663 PolarHBondContact O-N 3.27Å
662	D	34.5	Very low	39.3	Very low	105 Å²	105	119.2 Å²	119.2	56%	0.561	67%	0.671	S	S	*	*			trans	-76.6	114.9	-175.3	-72.5	-54.9	0	0	0	110.2	K660 A664	K660-D662 WeakPolarHBondContact CE-OD1 3.4Å; K660-D662 IonicContact NZ-OD1 3.73Å; K660-D662 PolarHBondContact NZ-OD1 2.9Å; K660-D662 IonicContact NZ-OD2 3.24Å; D662-A664 PolarHBondContact O-N 3.48Å
663	F	32.8	Very low	39.8	Very low	202 Å²	202	120.9 Å²	120.9	89%	0.886	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-62	2.5	-169.6	-98.8	-101.5	0	0	0	116.2	L661	L661-F663 PolarHBondContact O-N 3.27Å
664	A	38.8	Very low	40.1	Very low	87 Å²	87	114.3 Å²	114.3	72%	0.719	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-71.9	-27.8	178.4	0	0	0	0	0	113.4	D662 G666	D662-A664 PolarHBondContact O-N 3.48Å; A664-G666 VanDerWaalsContact C-N 3.31Å; A664-G666 PolarHBondContact O-N 2.87Å
665	E	39.3	Very low	40.6	Very low	153 Å²	153	110 Å²	110	72%	0.715	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-77.7	-11.1	-174.9	-64	-163.7	145	0	0	114	I667 Y668 P669	E665-I667 PolarHBondContact O-N 2.84Å; E665-Y668 WeakPolarHBondContact O-CB 3.47Å; E665-Y668 PolarHBondContact O-N 3.48Å; E665-P669 WeakPolarHBondContact O-CD 3.49Å
666	G	41.2	Very low	40.7	Very low	40 Å²	40	111.1 Å²	111.1	41%	0.412	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-63.8	-16.2	-174.5	0	0	0	0	0	116.4	A664	A664-G666 VanDerWaalsContact C-N 3.31Å; A664-G666 PolarHBondContact O-N 2.87Å
667	I	43.3	Very low	40.9	Very low	137 Å²	137	110.5 Å²	110.5	70%	0.703	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-95.3	-22.6	177	-60.3	175	0	0	0	111.2	E665 S671	E665-I667 PolarHBondContact O-N 2.84Å; I667-S671 PolarHBondContact O-OG 2.81Å
668	Y	41.9	Very low	41	Very low	142 Å²	142	112.8 Å²	112.8	56%	0.557	58%	0.577	S	S	*	*	H	α-helix	trans	-67.1	-34.8	-171	-144.4	-96.9	0	0	0	115.3	E665 L670 S671 K672	E665-Y668 WeakPolarHBondContact O-CB 3.47Å; E665-Y668 PolarHBondContact O-N 3.48Å; Y668-L670 PolarHBondContact O-N 2.88Å; Y668-S671 PolarHBondContact O-OG 3.42Å; Y668-K672 WeakPolarHBondContact O-CB 3.45Å; Y668-K672 PolarHBondContact O-N 3.31Å
669	P	47.5	Very low	41	Very low	56 Å²	56	106.9 Å²	106.9	36%	0.364	57%	0.57	S	S	.	*	H	α-helix	trans	-65.8	-38.2	-179.1	-24.7	33.3	0	0	0	113.6	M641 E665 Y673	M641-P669 HydrophobicContact CE-CB 4.48Å; E665-P669 WeakPolarHBondContact O-CD 3.49Å; P669-Y673 WeakPolarHBondContact O-CB 3.43Å; P669-Y673 PolarHBondContact O-N 2.82Å
670	L	40.3	Very low	41.9	Very low	89 Å²	89	104.9 Å²	104.9	47%	0.466	56%	0.559	S	S	.	*	H	α-helix	trans	-72.1	-43.1	-178.2	-82.2	162.3	0	0	0	111.6	Y668 A674	Y668-L670 PolarHBondContact O-N 2.88Å; L670-A674 WeakPolarHBondContact O-CB 3.36Å; L670-A674 PolarHBondContact O-N 3.41Å
671	S	45.1	Very low	42.6	Very low	64 Å²	64	104.9 Å²	104.9	45%	0.448	56%	0.559	S	S	.	*	H	α-helix	trans	-69.1	-38.9	175.9	56.6	0	0	0	0	112.2	I667 Y668 A674 A675	I667-S671 PolarHBondContact O-OG 2.81Å; Y668-S671 PolarHBondContact O-OG 3.42Å; S671-A674 PolarHBondContact O-N 3.17Å; S671-A675 WeakPolarHBondContact O-CB 3.47Å; S671-A675 PolarHBondContact O-N 2.83Å
672	K	45.2	Very low	43.4	Very low	105 Å²	105	103.5 Å²	103.5	46%	0.457	55%	0.549	S	S	.	.	H	α-helix	trans	-63.4	-49.7	174	-178.2	175.6	173.3	-179.3	0	111.9	Y668 A674 A675 E676	Y668-K672 WeakPolarHBondContact O-CB 3.45Å; Y668-K672 PolarHBondContact O-N 3.31Å; K672-A674 VanDerWaalsContact C-N 3.3Å; K672-A674 PolarHBondContact O-N 3.24Å; K672-A675 PolarHBondContact O-N 3.41Å; K672-A675 VanDerWaalsContact O-N 3.14Å; K672-E676 VanDerWaalsContact CE-CD 3.47Å; K672-E676 WeakPolarHBondContact CE-OE1 3.5Å; K672-E676 HydrophobicContact CG-CG 4.3Å; K672-E676 IonicContact NZ-OE1 2.66Å; K672-E676 WeakPolarHBondContact O-CB 3.29Å; K672-E676 WeakPolarHBondContact O-CG 3.44Å; K672-E676 PolarHBondContact O-N 3.09Å
673	Y	43.4	Very low	44.2	Very low	107 Å²	107	105.8 Å²	105.8	42%	0.42	56%	0.557	S	S	.	*	H	α-helix	trans	-59.4	-40.8	177.4	-175.1	-98.6	0	0	0	111.9	P669 H677	P669-Y673 WeakPolarHBondContact O-CB 3.43Å; P669-Y673 PolarHBondContact O-N 2.82Å; Y673-H677 AromaticContact CD1-CD2 3.97Å; Y673-H677 AromaticContact CD2-CD2 3.67Å; Y673-H677 AromaticContact CD2-NE2 3.8Å; Y673-H677 AromaticContact CE1-CD2 3.7Å; Y673-H677 AromaticContact CE2-CD2 3.38Å; Y673-H677 WeakPolarHBondContact CE2-CD2 3.46Å; Y673-H677 AromaticContact CE2-NE2 3.16Å; Y673-H677 WeakPolarHBondContact CE2-NE2 3.2Å; Y673-H677 AromaticContact CG-CD2 3.95Å; Y673-H677 AromaticContact CZ-CD2 3.39Å; Y673-H677 AromaticContact CZ-NE2 3.4Å; Y673-H677 WeakPolarHBondContact O-CB 3.37Å; Y673-H677 PolarHBondContact O-CD2 2.86Å; Y673-H677 PolarHBondContact O-N 3.14Å; Y673-H677 VanDerWaalsContact O-N 3.09Å
674	A	43.9	Very low	44.9	Very low	44 Å²	44	103 Å²	103	36%	0.364	54%	0.544	S	S	.	.	H	α-helix	trans	-65	-43.4	173.9	0	0	0	0	0	112.5	L670 S671 K672 L678	L670-A674 WeakPolarHBondContact O-CB 3.36Å; L670-A674 PolarHBondContact O-N 3.41Å; S671-A674 PolarHBondContact O-N 3.17Å; K672-A674 VanDerWaalsContact C-N 3.3Å; K672-A674 PolarHBondContact O-N 3.24Å; A674-L678 VanDerWaalsContact O-CB 3.23Å; A674-L678 WeakPolarHBondContact O-CB 3.44Å; A674-L678 WeakPolarHBondContact O-CD1 3.22Å; A674-L678 WeakPolarHBondContact O-CG 3.44Å; A674-L678 PolarHBondContact O-N 3.4Å
675	A	50.1	Low	45.3	Very low	23 Å²	23	100.8 Å²	100.8	19%	0.19	53%	0.526	C	S	.	.	H	α-helix	trans	-65.2	-43.6	178.4	0	0	0	0	0	112.5	S671 K672 L678 G679 L680	S671-A675 WeakPolarHBondContact O-CB 3.47Å; S671-A675 PolarHBondContact O-N 2.83Å; K672-A675 PolarHBondContact O-N 3.41Å; K672-A675 VanDerWaalsContact O-N 3.14Å; A675-L678 PolarHBondContact O-N 3.03Å; A675-G679 PolarHBondContact O-N 3.32Å; A675-L680 PolarHBondContact O-N 3.32Å
676	E	43.8	Very low	45.8	Very low	121 Å²	121	97.3 Å²	97.3	57%	0.565	51%	0.512	S	S	*	.	H	α-helix	trans	-64.6	-39.8	179	-72.3	175.1	156.7	0	0	111.8	K672	K672-E676 VanDerWaalsContact CE-CD 3.47Å; K672-E676 WeakPolarHBondContact CE-OE1 3.5Å; K672-E676 HydrophobicContact CG-CG 4.3Å; K672-E676 IonicContact NZ-OE1 2.66Å; K672-E676 WeakPolarHBondContact O-CB 3.29Å; K672-E676 WeakPolarHBondContact O-CG 3.44Å; K672-E676 PolarHBondContact O-N 3.09Å
677	H	44.3	Very low	46.6	Very low	129 Å²	129	101.3 Å²	101.3	60%	0.597	52%	0.52	S	S	*	.	H	α-helix	trans	-83.6	-14.9	177.6	-76.2	-62.6	0	0	0	115.4	Y673	Y673-H677 AromaticContact CD1-CD2 3.97Å; Y673-H677 AromaticContact CD2-CD2 3.67Å; Y673-H677 AromaticContact CD2-NE2 3.8Å; Y673-H677 AromaticContact CE1-CD2 3.7Å; Y673-H677 AromaticContact CE2-CD2 3.38Å; Y673-H677 WeakPolarHBondContact CE2-CD2 3.46Å; Y673-H677 AromaticContact CE2-NE2 3.16Å; Y673-H677 WeakPolarHBondContact CE2-NE2 3.2Å; Y673-H677 AromaticContact CG-CD2 3.95Å; Y673-H677 AromaticContact CZ-CD2 3.39Å; Y673-H677 AromaticContact CZ-NE2 3.4Å; Y673-H677 WeakPolarHBondContact O-CB 3.37Å; Y673-H677 PolarHBondContact O-CD2 2.86Å; Y673-H677 PolarHBondContact O-N 3.14Å; Y673-H677 VanDerWaalsContact O-N 3.09Å
678	L	45.6	Very low	47.2	Very low	129 Å²	129	100 Å²	100	68%	0.675	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	2.7	175.6	-66.5	172	0	0	0	113.8	A674 A675 L680	A674-L678 VanDerWaalsContact O-CB 3.23Å; A674-L678 WeakPolarHBondContact O-CB 3.44Å; A674-L678 WeakPolarHBondContact O-CD1 3.22Å; A674-L678 WeakPolarHBondContact O-CG 3.44Å; A674-L678 PolarHBondContact O-N 3.4Å; A675-L678 PolarHBondContact O-N 3.03Å; L678-L680 HydrophobicContact CB-CD1 4.39Å; L678-L680 HydrophobicContact CB-CG 4.49Å; L678-L680 PolarHBondContact O-N 3.49Å; L678-L680 VanDerWaalsContact O-N 3.16Å
679	G	44.2	Very low	48.2	Very low	66 Å²	66	98.6 Å²	98.6	68%	0.68	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	15.6	174	0	0	0	0	0	115	A675 K681	A675-G679 PolarHBondContact O-N 3.32Å; G679-K681 PolarHBondContact O-N 3.14Å
680	L	47.8	Very low	49	Very low	105 Å²	105	100.5 Å²	100.5	55%	0.55	52%	0.522	S	S	.	.			trans	-77.1	108.8	-178.7	-74.1	168.8	0	0	0	110	A675 L678 Q682	A675-L680 PolarHBondContact O-N 3.32Å; L678-L680 HydrophobicContact CB-CD1 4.39Å; L678-L680 HydrophobicContact CB-CG 4.49Å; L678-L680 PolarHBondContact O-N 3.49Å; L678-L680 VanDerWaalsContact O-N 3.16Å; L680-Q682 PolarHBondContact O-N 3.5Å
681	K	48.6	Very low	50.1	Low	166 Å²	166	102.1 Å²	102.1	72%	0.722	53%	0.527	S	S	*	.			trans	-53.9	123.4	173.9	-68.4	-171.9	176.7	-172.8	0	110.4	G679 E683 K684	G679-K681 PolarHBondContact O-N 3.14Å; K681-E683 PolarHBondContact O-N 3.16Å; K681-K684 PolarHBondContact O-N 3.27Å
682	Q	50.4	Low	50.5	Low	103 Å²	103	101.6 Å²	101.6	48%	0.481	53%	0.527	S	S	.	.	H	α-helix	trans	-44.9	-36.5	-171.9	-163.8	71.4	17.4	0	0	114.4	L680 K684 A685 N686	L680-Q682 PolarHBondContact O-N 3.5Å; Q682-K684 PolarHBondContact O-N 3Å; Q682-A685 PolarHBondContact O-N 3.44Å; Q682-N686 PolarHBondContact O-N 3.01Å; Q682-N686 VanDerWaalsContact O-N 3.16Å
683	E	49.8	Very low	51.1	Low	154 Å²	154	102.6 Å²	102.6	72%	0.72	53%	0.533	S	S	*	.	H	α-helix	trans	-56.3	-43.8	-179.2	-61.3	168.6	142.6	0	0	112.6	K681 N686 E687	K681-E683 PolarHBondContact O-N 3.16Å; E683-N686 PolarHBondContact O-N 3.46Å; E683-E687 PolarHBondContact O-N 3.03Å
684	K	48.1	Very low	51.9	Low	142 Å²	142	104 Å²	104	62%	0.617	54%	0.543	S	S	*	.	H	α-helix	trans	-72.7	-30.2	179.6	-89.4	-167.5	169.5	-170.9	0	113.7	K681 Q682 L688	K681-K684 PolarHBondContact O-N 3.27Å; Q682-K684 PolarHBondContact O-N 3Å; K684-L688 WeakPolarHBondContact O-CG 3.31Å; K684-L688 PolarHBondContact O-N 3.44Å; K684-L688 VanDerWaalsContact O-N 3.16Å
685	A	48.5	Very low	52.3	Low	42 Å²	42	108 Å²	108	35%	0.347	55%	0.554	S	S	.	*	H	α-helix	trans	-67.7	-41.7	175.1	0	0	0	0	0	110.7	Q682 L689	Q682-A685 PolarHBondContact O-N 3.44Å; A685-L689 WeakPolarHBondContact O-CB 3.35Å; A685-L689 PolarHBondContact O-N 3Å
686	N	48.7	Very low	52.3	Low	79 Å²	79	112.9 Å²	112.9	42%	0.422	58%	0.577	S	S	.	*	H	α-helix	trans	-66.4	-40.2	175.4	-69.6	-14.6	0	0	0	112.3	Q682 E683 L689 I690	Q682-N686 PolarHBondContact O-N 3.01Å; Q682-N686 VanDerWaalsContact O-N 3.16Å; E683-N686 PolarHBondContact O-N 3.46Å; N686-L689 PolarHBondContact O-N 2.96Å; N686-I690 WeakPolarHBondContact O-CG1 3.29Å; N686-I690 PolarHBondContact O-N 3.21Å
687	E	57.9	Low	52.8	Low	125 Å²	125	111.8 Å²	111.8	58%	0.584	58%	0.578	S	S	*	*	H	α-helix	trans	-59.8	-47.3	176.9	-171.8	174.9	-149.1	0	0	111.8	E683 L689 I690 Q691	E683-E687 PolarHBondContact O-N 3.03Å; E687-L689 PolarHBondContact O-N 3.05Å; E687-I690 PolarHBondContact O-N 3.43Å; E687-Q691 WeakPolarHBondContact O-CB 3.41Å; E687-Q691 PolarHBondContact O-N 3.29Å
688	L	56.3	Low	53	Low	110 Å²	110	108.4 Å²	108.4	58%	0.576	57%	0.573	S	S	*	*	H	α-helix	trans	-65.1	-36.3	175.9	-71	169.8	0	0	0	112.8	K684 Q691 A692	K684-L688 WeakPolarHBondContact O-CG 3.31Å; K684-L688 PolarHBondContact O-N 3.44Å; K684-L688 VanDerWaalsContact O-N 3.16Å; L688-Q691 PolarHBondContact O-N 3.27Å; L688-A692 WeakPolarHBondContact O-CB 3.2Å; L688-A692 PolarHBondContact O-N 3.02Å
689	L	61.8	Low	53	Low	112 Å²	112	107.3 Å²	107.3	59%	0.586	57%	0.567	S	S	*	*	H	α-helix	trans	-64.6	-44.1	177	-172.1	68.9	0	0	0	111.7	A685 N686 E687 Q691 A692 Q693	A685-L689 WeakPolarHBondContact O-CB 3.35Å; A685-L689 PolarHBondContact O-N 3Å; N686-L689 PolarHBondContact O-N 2.96Å; E687-L689 PolarHBondContact O-N 3.05Å; L689-Q691 VanDerWaalsContact C-N 3.33Å; L689-Q691 PolarHBondContact O-N 3.03Å; L689-A692 PolarHBondContact O-N 3.06Å; L689-Q693 WeakPolarHBondContact O-CB 3.38Å; L689-Q693 PolarHBondContact O-N 3.46Å
690	I	65.9	Low	53.1	Low	95 Å²	95	107.6 Å²	107.6	49%	0.487	56%	0.563	S	S	.	*	H	α-helix	trans	-62.5	-42.3	175.6	-68.1	164.1	0	0	0	110.5	N686 E687 Q693 Q694	N686-I690 WeakPolarHBondContact O-CG1 3.29Å; N686-I690 PolarHBondContact O-N 3.21Å; E687-I690 PolarHBondContact O-N 3.43Å; I690-Q693 PolarHBondContact O-N 2.85Å; I690-Q694 WeakPolarHBondContact O-CG 3.32Å; I690-Q694 PolarHBondContact O-N 3.31Å
691	Q	61.8	Low	53	Low	124 Å²	124	111.3 Å²	111.3	58%	0.579	58%	0.575	S	S	*	*	H	α-helix	trans	-64.6	-43.4	179.2	-164.1	169.6	46.6	0	0	112.1	E687 L688 L689 Q694 Q695	E687-Q691 WeakPolarHBondContact O-CB 3.41Å; E687-Q691 PolarHBondContact O-N 3.29Å; L688-Q691 PolarHBondContact O-N 3.27Å; L689-Q691 VanDerWaalsContact C-N 3.33Å; L689-Q691 PolarHBondContact O-N 3.03Å; Q691-Q694 PolarHBondContact O-N 2.95Å; Q691-Q695 PolarHBondContact O-N 2.88Å; Q691-Q695 VanDerWaalsContact O-N 3.17Å
692	A	55.2	Low	52.8	Low	53 Å²	53	106.9 Å²	106.9	44%	0.438	57%	0.569	S	S	.	*	H	α-helix	trans	-64.3	-40.7	174.3	0	0	0	0	0	112.5	L688 L689 Q694 Q695 L696	L688-A692 WeakPolarHBondContact O-CB 3.2Å; L688-A692 PolarHBondContact O-N 3.02Å; L689-A692 PolarHBondContact O-N 3.06Å; A692-Q694 VanDerWaalsContact C-N 3.33Å; A692-Q694 PolarHBondContact O-N 3.16Å; A692-Q695 WeakPolarHBondContact O-CB 3.12Å; A692-Q695 PolarHBondContact O-N 2.98Å; A692-L696 PolarHBondContact O-N 3.34Å
693	Q	57.7	Low	52.5	Low	126 Å²	126	108.4 Å²	108.4	59%	0.589	58%	0.579	S	S	*	*	H	α-helix	trans	-67.6	-32.9	179.3	-167.2	169.7	9.9	0	0	112.4	L689 I690 V697	L689-Q693 WeakPolarHBondContact O-CB 3.38Å; L689-Q693 PolarHBondContact O-N 3.46Å; I690-Q693 PolarHBondContact O-N 2.85Å; Q693-V697 WeakPolarHBondContact O-CG2 3.17Å; Q693-V697 PolarHBondContact O-N 3.5Å
694	Q	58.8	Low	52.3	Low	136 Å²	136	110.2 Å²	110.2	64%	0.636	59%	0.588	S	S	*	*	H	α-helix	trans	-72	-32.3	173.6	-72.8	173.1	1.9	0	0	112.6	I690 Q691 A692 V697 A698	I690-Q694 WeakPolarHBondContact O-CG 3.32Å; I690-Q694 PolarHBondContact O-N 3.31Å; Q691-Q694 PolarHBondContact O-N 2.95Å; A692-Q694 VanDerWaalsContact C-N 3.33Å; A692-Q694 PolarHBondContact O-N 3.16Å; Q694-V697 PolarHBondContact O-N 3.13Å; Q694-A698 PolarHBondContact O-N 3.36Å
695	Q	53	Low	52.2	Low	127 Å²	127	108 Å²	108	59%	0.593	59%	0.59	S	S	*	*	H	α-helix	trans	-63.8	-44.4	173.6	-159.2	69.4	23.3	0	0	111.6	Q691 A692 V697 A698	Q691-Q695 PolarHBondContact O-N 2.88Å; Q691-Q695 VanDerWaalsContact O-N 3.17Å; A692-Q695 WeakPolarHBondContact O-CB 3.12Å; A692-Q695 PolarHBondContact O-N 2.98Å; Q695-V697 VanDerWaalsContact C-N 3.28Å; Q695-V697 PolarHBondContact O-N 3.17Å; Q695-A698 WeakPolarHBondContact O-CB 3.33Å; Q695-A698 PolarHBondContact O-N 3.36Å
696	L	49.8	Very low	51.6	Low	127 Å²	127	112.8 Å²	112.8	67%	0.665	61%	0.609	S	S	*	*	H	α-helix	trans	-62.3	-31.3	178.3	-73.6	164.6	0	0	0	113.6	A692 A698 A700	A692-L696 PolarHBondContact O-N 3.34Å; L696-A698 VanDerWaalsContact C-N 3.29Å; L696-A698 PolarHBondContact O-N 3.36Å; L696-A700 PolarHBondContact O-N 3.36Å
697	V	53.7	Low	50.9	Low	97 Å²	97	118.6 Å²	118.6	59%	0.588	63%	0.626	S	S	*	*	H	α-helix	trans	-74.6	-19.2	176.7	173.8	0	0	0	0	112.3	Q693 Q694 Q695	Q693-V697 WeakPolarHBondContact O-CG2 3.17Å; Q693-V697 PolarHBondContact O-N 3.5Å; Q694-V697 PolarHBondContact O-N 3.13Å; Q695-V697 VanDerWaalsContact C-N 3.28Å; Q695-V697 PolarHBondContact O-N 3.17Å
698	A	49.5	Very low	50.4	Low	59 Å²	59	117.5 Å²	117.5	49%	0.488	63%	0.63	S	S	.	*	H	α-helix	trans	-73.2	-49	173.9	0	0	0	0	0	111.6	Q694 Q695 L696 A700 K701	Q694-A698 PolarHBondContact O-N 3.36Å; Q695-A698 WeakPolarHBondContact O-CB 3.33Å; Q695-A698 PolarHBondContact O-N 3.36Å; L696-A698 VanDerWaalsContact C-N 3.29Å; L696-A698 PolarHBondContact O-N 3.36Å; A698-A700 VanDerWaalsContact C-N 3.28Å; A698-A700 PolarHBondContact O-N 3.14Å; A698-K701 PolarHBondContact O-N 3.47Å
699	D	46.5	Very low	49.4	Very low	106 Å²	106	119.1 Å²	119.1	57%	0.567	64%	0.638	S	S	*	*	H	α-helix	trans	-68.3	-25.9	-179.3	-72.3	-35	0	0	0	113	K701 A702	D699-K701 PolarHBondContact O-N 3.29Å; D699-A702 WeakPolarHBondContact O-CB 3.5Å; D699-A702 PolarHBondContact O-N 2.85Å
700	A	45.8	Very low	48.4	Very low	72 Å²	72	117.8 Å²	117.8	60%	0.595	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-57.3	-21	174.2	0	0	0	0	0	113.9	L696 A698	L696-A700 PolarHBondContact O-N 3.36Å; A698-A700 VanDerWaalsContact C-N 3.28Å; A698-A700 PolarHBondContact O-N 3.14Å
701	K	46.3	Very low	47	Very low	183 Å²	183	120.4 Å²	120.4	80%	0.796	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-83.9	-3.9	175.1	-69.3	-173.4	175.5	-178.4	0	114.6	A698 D699	A698-K701 PolarHBondContact O-N 3.47Å; D699-K701 PolarHBondContact O-N 3.29Å
702	A	44.1	Very low	45.8	Very low	72 Å²	72	120.6 Å²	120.6	60%	0.595	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-88.9	-13.8	178.4	0	0	0	0	0	113.8	D699	D699-A702 WeakPolarHBondContact O-CB 3.5Å; D699-A702 PolarHBondContact O-N 2.85Å
703	I	43.8	Very low	45	Very low	136 Å²	136	121.1 Å²	121.1	70%	0.697	65%	0.652	S	S	*	*			trans	-109.7	45.4	-167.8	-39.1	-178	0	0	0	112
704	E	44.5	Very low	44.3	Very low	192 Å²	192	119.3 Å²	119.3	90%	0.897	65%	0.653	S	S	*	*	S	Bend	trans	-108.1	10.4	175.5	-147.4	169.4	-141.7	0	0	112.7
705	S	46.3	Very low	43.5	Very low	94 Å²	94	119.7 Å²	119.7	66%	0.657	66%	0.655	S	S	*	*	S	Bend	trans	-117.9	-3.4	-166.8	58.5	0	0	0	0	116.2
706	L	36.6	Very low	42.8	Very low	143 Å²	143	121 Å²	121	75%	0.749	66%	0.661	S	S	*	*			trans	-115.2	67.6	-174.2	-69.3	177	0	0	0	113	P708	L706-P708 VanDerWaalsContact C-CD 3.47Å; L706-P708 VanDerWaalsContact O-CD 3.32Å; L706-P708 WeakPolarHBondContact O-CD 3.48Å
707	Y	34.6	Very low	42.4	Very low	201 Å²	201	121.7 Å²	121.7	79%	0.788	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	82.7	-179.8	-157.7	-83.2	0	0	0	112.5
708	P	45.6	Very low	41.8	Very low	102 Å²	102	121 Å²	121	66%	0.662	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	2.6	144.9	38	-24.6	0	0	0	115.9	L706	L706-P708 VanDerWaalsContact C-CD 3.47Å; L706-P708 VanDerWaalsContact O-CD 3.32Å; L706-P708 WeakPolarHBondContact O-CD 3.48Å
709	L	35.5	Very low	41.1	Very low	144 Å²	144	126.2 Å²	126.2	75%	0.754	70%	0.695	S	S	*	*	S	Bend	trans	-85.6	-23.8	-176.4	-82.1	168	0	0	0	114.7	K711 L712	L709-K711 PolarHBondContact O-N 3.12Å; L709-K711 VanDerWaalsContact O-N 3.13Å; L709-L712 PolarHBondContact O-N 2.96Å
710	T	41.3	Very low	40.4	Very low	84 Å²	84	128 Å²	128	52%	0.515	71%	0.71	S	S	.	*	H	α-helix	trans	-62.5	-22.4	-176.8	-10.7	0	0	0	0	113.8
711	K	37.6	Very low	40	Very low	151 Å²	151	131.4 Å²	131.4	66%	0.657	71%	0.714	S	S	*	*	H	α-helix	trans	-76.4	-25.6	-176	-167.8	175.7	178.5	-173.6	0	113.8	L709 S714	L709-K711 PolarHBondContact O-N 3.12Å; L709-K711 VanDerWaalsContact O-N 3.13Å; K711-S714 PolarHBondContact O-OG 3.21Å
712	L	35.8	Very low	39.2	Very low	127 Å²	127	130.1 Å²	130.1	67%	0.665	71%	0.71	S	S	*	*	H	α-helix	trans	-76.6	-31.8	179.3	-139.2	80.6	0	0	0	112	L709	L709-L712 PolarHBondContact O-N 2.96Å
713	A	38	Very low	38.7	Very low	64 Å²	64	135 Å²	135	53%	0.529	72%	0.718	S	S	.	*	H	α-helix	trans	-70.7	-29.9	-179.6	0	0	0	0	0	113.1	E715	A713-E715 VanDerWaalsContact C-N 3.31Å; A713-E715 PolarHBondContact O-N 3.03Å
714	S	44	Very low	38.2	Very low	89 Å²	89	134.9 Å²	134.9	62%	0.622	72%	0.716	S	S	*	*	H	α-helix	trans	-71.8	-16.8	-178.1	41.2	0	0	0	0	115.1	K711	K711-S714 PolarHBondContact O-OG 3.21Å
715	E	40.7	Very low	37.5	Very low	143 Å²	143	132 Å²	132	67%	0.668	71%	0.707	S	S	*	*	H	α-helix	trans	-99.4	-13.7	-175	-65.7	180	175.7	0	0	113.3	A713	A713-E715 VanDerWaalsContact C-N 3.31Å; A713-E715 PolarHBondContact O-N 3.03Å
716	H	39.9	Very low	36.6	Very low	156 Å²	156	134 Å²	134	72%	0.722	71%	0.709	S	S	*	*	H	α-helix	trans	-108.4	-6.9	-172.2	-81.1	-70	0	0	0	116.5
717	L	41	Very low	36.3	Very low	141 Å²	141	135.4 Å²	135.4	74%	0.738	72%	0.716	S	S	*	*			trans	-124	65	-177.9	-68.9	174.2	0	0	0	111.5	L719	L717-L719 PolarHBondContact O-N 3.1Å
718	G	41.1	Very low	36	Very low	82 Å²	82	128.9 Å²	128.9	85%	0.845	71%	0.71	S	S	*	*			trans	-65.5	85.7	-176.4	0	0	0	0	0	114.2
719	L	34.7	Very low	35.3	Very low	168 Å²	168	133.1 Å²	133.1	88%	0.88	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-102.3	121.8	167.4	-73.2	172.1	0	0	0	109.9	L717	L717-L719 PolarHBondContact O-N 3.1Å
720	T	31.7	Very low	35.6	Very low	143 Å²	143	132 Å²	132	88%	0.877	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-74.8	134.6	-173.2	45.9	0	0	0	0	112.9
721	H	37	Very low	35.3	Very low	145 Å²	145	135.9 Å²	135.9	67%	0.671	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-71.7	126.9	176.9	168.7	-72.7	0	0	0	112.6	M724	H721-M724 WeakPolarHBondContact NE2-CE 3.35Å
722	E	30.2	Very low	35.3	Very low	156 Å²	156	134.3 Å²	134.3	73%	0.729	74%	0.744	S	S	*	*			trans	-149.7	126.5	162.5	-131.5	-175.9	-139.8	0	0	112.8
723	K	31.9	Very low	35.4	Very low	174 Å²	174	134 Å²	134	76%	0.757	75%	0.75	S	S	*	*			trans	62.9	101.4	173.6	-59.2	165.1	-167.9	159.3	0	114.4
724	M	33.7	Very low	35.7	Very low	133 Å²	133	136.8 Å²	136.8	66%	0.655	76%	0.763	S	S	*	*			cis	53.9	102.9	28.1	-68.6	-70.7	-168.1	0	0	114	H721	H721-M724 WeakPolarHBondContact NE2-CE 3.35Å
725	D	29.6	Very low	35.4	Very low	132 Å²	132	138.5 Å²	138.5	71%	0.706	77%	0.772	S	S	*	*				-173.1	137.1	101.9	-98.3	-14	0	0	0	115
726	I	29	Very low	35	Very low	136 Å²	136	140.3 Å²	140.3	70%	0.697	78%	0.78	S	S	*	*			trans	48.4	107.9	133.7	-53.6	166.4	0	0	0	117.1
727	L	28.5	Very low	35.1	Very low	173 Å²	173	137.9 Å²	137.9	91%	0.906	78%	0.778	S	S	*	*				-156.4	167.6	70.9	-75	170.1	0	0	0	110.8
728	G	29.3	Very low	34.7	Very low	64 Å²	64	138.8 Å²	138.8	66%	0.66	78%	0.782	S	S	*	*			cis	166.7	9.6	0.5	0	0	0	0	0	119.3
729	Q	31.7	Very low	34.2	Very low	190 Å²	190	139.2 Å²	139.2	89%	0.888	77%	0.772	S	S	*	*			trans	63.9	175.2	176.5	-62.7	-169.1	-2.8	0	0	116.9
730	P	40.5	Very low	34	Very low	122 Å²	122	138.5 Å²	138.5	79%	0.792	77%	0.769	S	S	*	*			cis	-125.5	-176.6	-11.3	21.2	3.8	0	0	0	115.6
731	L	35.9	Very low	34.1	Very low	165 Å²	165	135.8 Å²	135.8	86%	0.864	76%	0.756	S	S	*	*			trans	-78.2	165	177.2	-73.7	159.7	0	0	0	114.9
732	P	36.8	Very low	34.1	Very low	117 Å²	117	139.7 Å²	139.7	76%	0.76	77%	0.765	S	S	*	*				-133.5	163.5	118.2	38.2	-29.9	0	0	0	115.5
733	P	39.3	Very low	34.3	Very low	120 Å²	120	137.3 Å²	137.3	78%	0.779	76%	0.762	S	S	*	*			trans	-92.4	176.7	-172.3	38.7	-38	0	0	0	115.1
734	P	44	Very low	34.3	Very low	123 Å²	123	135.9 Å²	135.9	80%	0.799	76%	0.761	S	S	*	*			trans	-100.6	168.1	-160.3	39.4	-37	0	0	0	116.1
735	P	36.6	Very low	34.3	Very low	126 Å²	126	135.4 Å²	135.4	82%	0.818	76%	0.761	S	S	*	*			trans	-116.6	151.2	162.8	38	-27.9	0	0	0	114.7
736	Q	31.9	Very low	34.6	Very low	181 Å²	181	139.3 Å²	139.3	85%	0.846	77%	0.766	S	S	*	*			trans	-149.5	159.9	167.9	-80.6	-96.2	-5	0	0	106.6
737	P	43.8	Very low	34.9	Very low	104 Å²	104	143.4 Å²	143.4	68%	0.675	77%	0.774	S	S	*	*			cis	-114.2	-158.1	-42.4	39.5	-25.6	0	0	0	108.7
738	I	30.6	Very low	35.1	Very low	160 Å²	160	140.2 Å²	140.2	82%	0.821	77%	0.766	S	S	*	*			trans	172.1	157.8	133.7	-89.8	157.6	0	0	0	109.6
739	S	30.7	Very low	36.4	Very low	91 Å²	91	142.8 Å²	142.8	64%	0.636	77%	0.771	S	S	*	*			trans	-72	164.9	177.8	55.3	0	0	0	0	112.4
740	D	32.4	Very low	36.4	Very low	153 Å²	153	143.3 Å²	143.3	82%	0.818	80%	0.796	S	S	*	*				-163.5	172.1	88.9	-104	3	0	0	0	115.2
741	S	32.8	Very low	36.2	Very low	87 Å²	87	144.4 Å²	144.4	61%	0.608	80%	0.796	S	S	*	*			trans	-96.9	163.1	-171.1	73.8	0	0	0	0	113.7
742	R	36.7	Very low	36.2	Very low	226 Å²	226	143.3 Å²	143.3	85%	0.853	79%	0.792	S	S	*	*			trans	71.1	154.1	156.9	-62.5	168.9	177.3	-179.1	-0.1	116.2
743	T	34.5	Very low	36.2	Very low	107 Å²	107	144.7 Å²	144.7	66%	0.656	79%	0.794	S	S	*	*			cis	-165.1	148.1	-24.1	23.9	0	0	0	0	109.2
744	I	31.8	Very low	36	Very low	143 Å²	143	146.2 Å²	146.2	73%	0.733	80%	0.795	S	S	*	*			trans	74.5	147.3	143.1	-69.3	164.8	0	0	0	118.8
745	D	33.3	Very low	35.5	Very low	124 Å²	124	147.6 Å²	147.6	66%	0.663	80%	0.795	S	S	*	*			trans	54.4	108.3	165.4	-73.4	-39.2	0	0	0	123
746	R	35.9	Very low	35.4	Very low	214 Å²	214	149.1 Å²	149.1	81%	0.808	79%	0.793	S	S	*	*				38.2	140.4	109.3	-71.2	178.7	163.6	146.8	-6.5	120.6
747	Y	35.7	Very low	35.7	Very low	222 Å²	222	146.8 Å²	146.8	87%	0.871	79%	0.789	S	S	*	*			trans	83.4	118.1	165.6	-76.7	-78.5	0	0	0	118.2
748	S	33.3	Very low	35	Very low	106 Å²	106	150.1 Å²	150.1	74%	0.741	80%	0.798	S	S	*	*			trans	-75.6	174.7	156.9	5.7	0	0	0	0	111.3
749	P	56.1	Low	35.4	Very low	117 Å²	117	149.3 Å²	149.3	76%	0.76	80%	0.796	S	S	*	*			cis	-131.4	154.6	-9.8	36.3	-20.9	0	0	0	114.6
750	S	31.8	Very low	35.8	Very low	201 Å²	201	154.5 Å²	154.5	100%	1.406	81%	0.811	S	S	*	*			trans	-167.5	0	145	-77.2	0	0	0	0	109.2

Retrieved 750 of 750 residues in 85.9 ms (Link to these results)

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