A0A077YXL0_TRITR Loading...

Nuclear hormone receptor family member nhr-25

AlphaFold DB , UniProt , Accession A0A077YXL0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 775 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	30.1	Very low	28.4	Very low	235 Å²	235	128 Å²	128	100%	1.158	83%	0.826	S	S	*	*				0	145.5	0	-73.3	168.7	164.9	0	0	108
2	I	32.4	Very low	28.1	Very low	151 Å²	151	131.3 Å²	131.3	77%	0.774	82%	0.822	S	S	*	*			trans	54.9	87.1	160.3	-57.1	171.9	0	0	0	114.7
3	T	31	Very low	28	Very low	120 Å²	120	139.2 Å²	139.2	74%	0.736	83%	0.826	S	S	*	*				58.9	118.4	89.8	62	0	0	0	0	114.1
4	A	27.9	Very low	27.6	Very low	101 Å²	101	141.7 Å²	141.7	84%	0.835	83%	0.833	S	S	*	*				69.6	145.3	65.3	0	0	0	0	0	113.4
5	G	27.7	Very low	27.7	Very low	60 Å²	60	140.4 Å²	140.4	62%	0.619	83%	0.827	S	S	*	*			cis	-140.8	-178.2	5.2	0	0	0	0	0	112.9
6	L	26	Very low	27.5	Very low	177 Å²	177	140 Å²	140	93%	0.927	83%	0.827	S	S	*	*				61.6	139.7	84.3	-62.7	168.1	0	0	0	114.8
7	A	25.1	Very low	27.5	Very low	94 Å²	94	142.6 Å²	142.6	78%	0.777	83%	0.832	S	S	*	*			cis	-172.4	144.9	-23.6	0	0	0	0	0	108.9
8	A	27.6	Very low	27.3	Very low	109 Å²	109	137.8 Å²	137.8	90%	0.901	82%	0.818	S	S	*	*			trans	-151.4	132.6	161.9	0	0	0	0	0	109
9	A	27.7	Very low	27.4	Very low	102 Å²	102	137 Å²	137	84%	0.843	82%	0.816	S	S	*	*			trans	-127.5	149.4	-175.8	0	0	0	0	0	111.7
10	D	28.4	Very low	27.5	Very low	144 Å²	144	135.5 Å²	135.5	77%	0.77	81%	0.81	S	S	*	*			trans	-82	126.3	-163.5	-169.8	-6.7	0	0	0	113.5	H12	D10-H12 PolarHBondContact O-N 3.44Å
11	P	28.5	Very low	27.4	Very low	115 Å²	115	135 Å²	135	75%	0.747	80%	0.803	S	S	*	*			trans	-93.2	43.7	-169.5	38.3	-38.7	0	0	0	115.8
12	H	24.8	Very low	27.3	Very low	167 Å²	167	130.1 Å²	130.1	77%	0.773	78%	0.782	S	S	*	*			trans	-131.9	65.6	179	-91.3	-59.6	0	0	0	116.8	D10	D10-H12 PolarHBondContact O-N 3.44Å
13	R	26.4	Very low	27.1	Very low	234 Å²	234	132 Å²	132	88%	0.883	78%	0.784	S	S	*	*			trans	-165.5	101.2	145.1	-115.7	175.5	-176.1	-137.7	0.6	113.3
14	L	23.3	Very low	26.9	Very low	175 Å²	175	132.6 Å²	132.6	92%	0.916	78%	0.783	S	S	*	*			trans	-129	100.7	161.7	-142.2	81.2	0	0	0	109.1
15	T	28.3	Very low	27.1	Very low	122 Å²	122	133.1 Å²	133.1	75%	0.748	78%	0.781	S	S	*	*			trans	-80.3	127.5	175.6	-49.8	0	0	0	0	109.2	M17	T15-M17 PolarHBondContact O-N 2.73Å
16	T	25.1	Very low	27.1	Very low	134 Å²	134	134.4 Å²	134.4	82%	0.822	78%	0.781	S	S	*	*			trans	-61.4	102.2	-174.7	-51.5	0	0	0	0	113
17	M	26.5	Very low	27.4	Very low	185 Å²	185	129.7 Å²	129.7	91%	0.911	76%	0.759	S	S	*	*			trans	-80.2	112.4	156.5	-73.6	-73	-175.5	0	0	107.9	T15	T15-M17 PolarHBondContact O-N 2.73Å
18	G	25.3	Very low	28	Very low	56 Å²	56	135.4 Å²	135.4	58%	0.577	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-69	153.8	178.2	0	0	0	0	0	112.7
19	P	29	Very low	28.6	Very low	122 Å²	122	132.7 Å²	132.7	79%	0.792	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-68.4	146.7	176	29.8	-34.9	0	0	0	111.3	N21	P19-N21 PolarHBondContact O-N 2.78Å
20	P	28.8	Very low	30	Very low	106 Å²	106	132.9 Å²	132.9	69%	0.688	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-65.1	133.3	174.3	27.7	-33.8	0	0	0	110.7	D22	P20-D22 PolarHBondContact O-N 3.35Å
21	N	25.4	Very low	32.1	Very low	126 Å²	126	129.6 Å²	129.6	67%	0.674	70%	0.698	S	S	*	*			trans	-82.7	56.7	-175.9	-176.1	41	0	0	0	112.1	P19 K23	P19-N21 PolarHBondContact O-N 2.78Å; N21-K23 PolarHBondContact O-N 2.97Å; N21-K23 WeakPolarHBondContact OD1-CD 3.27Å; N21-K23 WeakPolarHBondContact OD1-CE 3.43Å; N21-K23 WeakPolarHBondContact OD1-CG 3.3Å
22	D	28.6	Very low	35	Very low	133 Å²	133	128 Å²	128	71%	0.711	69%	0.689	S	S	*	*			trans	-77	55.9	-179.4	-73	-27.4	0	0	0	112.4	P20 N24	P20-D22 PolarHBondContact O-N 3.35Å; D22-N24 PolarHBondContact O-N 2.96Å
23	K	27.6	Very low	38.3	Very low	189 Å²	189	120 Å²	120	82%	0.822	65%	0.653	S	S	*	*			trans	-75.6	39.3	173	-71.2	-175.1	-178.8	-178.4	0	113	N21	N21-K23 PolarHBondContact O-N 2.97Å; N21-K23 WeakPolarHBondContact OD1-CD 3.27Å; N21-K23 WeakPolarHBondContact OD1-CE 3.43Å; N21-K23 WeakPolarHBondContact OD1-CG 3.3Å
24	N	27.1	Very low	41.5	Very low	134 Å²	134	110.5 Å²	110.5	72%	0.717	62%	0.621	S	S	*	*			trans	-155.3	82.3	167.1	-156.3	12.5	0	0	0	112.7	D22	D22-N24 PolarHBondContact O-N 2.96Å
25	S	31.6	Very low	45	Very low	112 Å²	112	102.2 Å²	102.2	78%	0.783	58%	0.578	S	S	*	*			trans	-122.6	17.4	168.1	61.5	0	0	0	0	113.2
26	S	28.3	Very low	48.2	Very low	87 Å²	87	96.6 Å²	96.6	61%	0.608	54%	0.543	S	S	*	.			trans	-57.8	163.6	148.2	-169.3	0	0	0	0	109.3
27	T	32.8	Very low	51.6	Low	77 Å²	77	92.5 Å²	92.5	47%	0.472	53%	0.528	S	S	.	.			trans	62.8	68.3	174.2	73.2	0	0	0	0	117.6	L29 M135	T27-L29 HydrophobicContact CG2-CD1 3.96Å; T27-L29 PolarHBondContact O-N 2.97Å; T27-M135 HydrophobicContact CG2-SD 3.96Å
28	Y	37.7	Very low	54.9	Low	214 Å²	214	84.9 Å²	84.9	84%	0.839	49%	0.491	S	S	*	.			trans	-73.4	40.9	147.8	-117.2	-79.1	0	0	0	111.7	P34	Y28-P34 HydrophobicContact CE1-CB 4.2Å
29	L	38.8	Very low	58.1	Low	52 Å²	52	88.8 Å²	88.8	27%	0.272	49%	0.492	S	S	.	.			trans	-111.9	162.3	-167.7	-62.3	177.1	0	0	0	109.4	T27 D31 Y130 L133 M135	T27-L29 HydrophobicContact CG2-CD1 3.96Å; T27-L29 PolarHBondContact O-N 2.97Å; L29-D31 PolarHBondContact O-N 3.1Å; L29-Y130 HydrophobicContact CB-CE2 3.57Å; L29-Y130 WeakPolarHBondContact CB-OH 3.38Å; L29-Y130 HydrophobicContact CD1-CE2 4.49Å; L29-Y130 HydrophobicContact CD2-CD2 4.06Å; L29-Y130 HydrophobicContact CD2-CE2 3.78Å; L29-Y130 HydrophobicContact CG-CE2 4.12Å; L29-L133 HydrophobicContact CD1-CB 4.28Å; L29-L133 HydrophobicContact CD1-CD1 3.81Å; L29-L133 HydrophobicContact CD2-CD1 3.93Å; L29-L133 HydrophobicContact CG-CD1 4.49Å; L29-M135 HydrophobicContact CB-SD 4.42Å; L29-M135 HydrophobicContact CD1-SD 3.85Å
30	E	56.6	Low	61.2	Low	106 Å²	106	84.1 Å²	84.1	50%	0.495	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	128.4	-163	-64.1	158.8	12	0	0	112	L48 Y130	E30-L48 HydrophobicContact CG-CD1 4.3Å; E30-Y130 HydrophobicContact CB-CE2 3.92Å; E30-Y130 WeakPolarHBondContact CB-OH 3.43Å; E30-Y130 VanDerWaalsContact CD-CE2 3.41Å; E30-Y130 HydrophobicContact CG-CD2 4.26Å; E30-Y130 HydrophobicContact CG-CE2 3.53Å; E30-Y130 PolarHBondContact N-OH 3.45Å
31	D	72.9	Confident	64.2	Low	75 Å²	75	81.9 Å²	81.9	40%	0.401	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn		-145	19.2	56.8	-155.5	15.3	0	0	0	113.9	L29 K39 V40	L29-D31 PolarHBondContact O-N 3.1Å; D31-K39 WeakPolarHBondContact OD2-CE 3.29Å; D31-K39 IonicContact OD2-NZ 2.78Å; D31-K39 PolarHBondContact OD2-NZ 2.78Å; D31-V40 WeakPolarHBondContact O-CB 3.36Å; D31-V40 WeakPolarHBondContact O-CG2 3.16Å; D31-V40 PolarHBondContact O-N 3.06Å
32	S	89.6	Confident	67.2	Low	81 Å²	81	77 Å²	77	57%	0.566	43%	0.427	S	S	*	.	B	Isolated β-bridge	trans	-105	139	-168.1	-68.9	0	0	0	0	115.1	P34	S32-P34 WeakPolarHBondContact O-CD 3.46Å
33	C	95.6	Very high	70	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.007	40%	0.403	C	S	.	.			trans	-71.3	117.8	-179.1	175.5	0	0	0	0	112.2	V35 C36 G37 D38 C50	C33-V35 PolarHBondContact O-N 2.85Å; C33-C36 PolarHBondContact O-N 3.06Å; C33-G37 PolarHBondContact O-N 2.67Å; C33-D38 WeakPolarHBondContact CB-O 3.34Å; C33-D38 PolarHBondContact N-O 3.37Å; C33-C50 HydrophobicContact CB-CB 3.82Å; C33-C50 PolarHBondContact SG-N 2.87Å; C33-C50 VanDerWaalsContact SG-SG 3.66Å
34	P	92.5	Very high	73	Confident	34 Å²	34	65.2 Å²	65.2	22%	0.221	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.9	-172.8	25.7	-35.6	0	0	0	114.3	Y28 S32 L47 L48 K92 V96	Y28-P34 HydrophobicContact CE1-CB 4.2Å; S32-P34 WeakPolarHBondContact O-CD 3.46Å; P34-L47 HydrophobicContact CG-CD1 3.49Å; P34-L47 VanDerWaalsContact CG-CD1 3.49Å; P34-L48 WeakPolarHBondContact CD-O 3.12Å; P34-K92 WeakPolarHBondContact O-CE 3.28Å; P34-V96 HydrophobicContact CB-CB 4.36Å; P34-V96 HydrophobicContact CB-CG1 4.18Å; P34-V96 HydrophobicContact CG-CB 4.36Å; P34-V96 HydrophobicContact CG-CG2 4.27Å
35	V	96.2	Very high	76.1	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-35.7	172.5	-175.7	0	0	0	0	112	C33 T49 C53 V77 R89 K92 V96 M98	C33-V35 PolarHBondContact O-N 2.85Å; V35-T49 HydrophobicContact CG2-CG2 4.45Å; V35-C53 HydrophobicContact CB-CB 4.5Å; V35-C53 HydrophobicContact CG2-CB 4.49Å; V35-V77 HydrophobicContact CG1-CG1 4.34Å; V35-V77 WeakPolarHBondContact O-CG1 3.43Å; V35-R89 HydrophobicContact CG1-CG 4.28Å; V35-K92 VanDerWaalsContact O-CD 3.24Å; V35-K92 WeakPolarHBondContact O-CD 3.37Å; V35-K92 WeakPolarHBondContact O-CE 3.21Å; V35-K92 PolarHBondContact O-NZ 2.7Å; V35-V96 HydrophobicContact CG2-CG2 3.6Å; V35-M98 HydrophobicContact CG2-SD 4.23Å
36	C	97.1	Very high	78.6	Confident	4 Å²	4	55.9 Å²	55.9	3%	0.027	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-155.9	11.5	-166.7	68.9	0	0	0	0	117.4	C33 D38 C50 V77 D78 K79 R82	C33-C36 PolarHBondContact O-N 3.06Å; C36-D38 PolarHBondContact O-N 3.16Å; C36-C50 VanDerWaalsContact SG-SG 3.64Å; C36-V77 HydrophobicContact CB-CG1 4.23Å; C36-D78 CarbonylContact O-C 3.54Å; C36-D78 VanDerWaalsContact O-C 3.25Å; C36-D78 WeakPolarHBondContact O-CA 3.41Å; C36-K79 PolarHBondContact O-N 3.4Å; C36-R82 HydrophobicContact CB-CB 4.32Å; C36-R82 PolarHBondContact SG-NH1 3.47Å; C36-R82 VanDerWaalsContact SG-NH1 3.38Å
37	G	94.5	Very high	81.5	Confident	48 Å²	48	52 Å²	52	50%	0.495	28%	0.281	S	S	.	.	S	Bend	trans	70.2	-7	178.3	0	0	0	0	0	116.3	C33	C33-G37 PolarHBondContact O-N 2.67Å
38	D	95.8	Very high	84.1	Confident	26 Å²	26	50.3 Å²	50.3	14%	0.139	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-73.5	151.9	177.4	-165.3	19.5	0	0	0	112.2	C33 C36 V40 C50 K79 R82	C33-D38 WeakPolarHBondContact CB-O 3.34Å; C33-D38 PolarHBondContact N-O 3.37Å; C36-D38 PolarHBondContact O-N 3.16Å; D38-V40 PolarHBondContact O-N 2.82Å; D38-C50 HydrophobicContact CB-CB 4.03Å; D38-K79 HydrophobicContact CB-CB 4.23Å; D38-K79 HydrophobicContact CB-CD 4.05Å; D38-K79 HydrophobicContact CB-CG 4Å; D38-K79 VanDerWaalsContact OD1-CD 3.31Å; D38-K79 WeakPolarHBondContact OD1-CD 3.4Å; D38-K79 WeakPolarHBondContact OD1-CE 3.08Å; D38-K79 IonicContact OD1-NZ 3.35Å; D38-K79 PolarHBondContact OD1-NZ 3.21Å; D38-R82 IonicContact OD2-CZ 2.67Å; D38-R82 IonicContact OD2-NH1 2.7Å; D38-R82 PolarHBondContact OD2-NH1 2.7Å; D38-R82 IonicContact OD2-NH2 2.72Å; D38-R82 PolarHBondContact OD2-NH2 2.92Å
39	K	94.2	Very high	86.8	Confident	137 Å²	137	40.1 Å²	40.1	60%	0.596	23%	0.229	S	C	*	.	B	Isolated β-bridge	trans	-56.9	136.4	-171.6	-176.9	165.3	179.1	129.5	0	112.4	D31 C50	D31-K39 WeakPolarHBondContact OD2-CE 3.29Å; D31-K39 IonicContact OD2-NZ 2.78Å; D31-K39 PolarHBondContact OD2-NZ 2.78Å; K39-C50 WeakPolarHBondContact O-CA 3.48Å; K39-C50 WeakPolarHBondContact O-CB 3.48Å
40	V	93.4	Very high	89.6	Confident	24 Å²	24	37.8 Å²	37.8	15%	0.145	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-62.3	139.8	176	167.1	0	0	0	0	110.8	D31 D38 L48	D31-V40 WeakPolarHBondContact O-CB 3.36Å; D31-V40 WeakPolarHBondContact O-CG2 3.16Å; D31-V40 PolarHBondContact O-N 3.06Å; D38-V40 PolarHBondContact O-N 2.82Å; V40-L48 HydrophobicContact CG1-CB 3.85Å; V40-L48 HydrophobicContact CG1-CD2 3.94Å; V40-L48 HydrophobicContact CG1-CG 4.38Å; V40-L48 HydrophobicContact CG2-CB 4.13Å
41	S	92.5	Very high	91.5	Very high	59 Å²	59	37.4 Å²	37.4	41%	0.413	22%	0.215	S	C	.	.			trans	-116	3.9	173.1	70.6	0	0	0	0	113.6	H44 T49 E51	S41-H44 PolarHBondContact OG-NE2 3.42Å; S41-T49 PolarHBondContact N-O 2.67Å; S41-E51 WeakPolarHBondContact OG-CA 3.34Å; S41-E51 PolarHBondContact OG-N 3.02Å; S41-E51 VanDerWaalsContact OG-N 3.1Å; S41-E51 PolarHBondContact OG-OE2 3.48Å
42	G	87	Confident	92.6	Very high	24 Å²	24	35.8 Å²	35.8	25%	0.247	21%	0.209	C	C	.	.	S	Bend	trans	135.5	-173.3	177.7	0	0	0	0	0	113.8	H44 L48 T49	G42-H44 PolarHBondContact O-CD2 3.44Å; G42-H44 PolarHBondContact O-N 3.07Å; G42-H44 PolarHBondContact O-NE2 3.39Å; G42-L48 WeakPolarHBondContact O-CA 3.19Å; G42-T49 PolarHBondContact O-N 3.26Å
43	Y	87.6	Confident	93.1	Very high	51 Å²	51	31.9 Å²	31.9	20%	0.2	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	113.7	177	-116.6	-92.7	0	0	0	110.8	G46 L48 Y119 D122 R123 R126	Y43-G46 WeakPolarHBondContact CE1-O 3.47Å; Y43-L48 HydrophobicContact CD2-CD2 3.45Å; Y43-L48 VanDerWaalsContact CD2-CD2 3.45Å; Y43-L48 HydrophobicContact CD2-CG 3.86Å; Y43-L48 HydrophobicContact CE2-CD2 3.86Å; Y43-L48 HydrophobicContact CE2-CG 3.76Å; Y43-L48 HydrophobicContact CG-CD2 4.4Å; Y43-Y119 HydrophobicContact CD1-CD1 4.1Å; Y43-Y119 HydrophobicContact CE1-CD1 4.36Å; Y43-D122 WeakPolarHBondContact CE1-OD2 3.22Å; Y43-D122 PolarHBondContact OH-OD2 2.88Å; Y43-R123 HydrophobicContact CE2-CB 4.18Å; Y43-R123 HydrophobicContact CE2-CG 4.33Å; Y43-R126 WeakPolarHBondContact OH-CD 3.5Å; Y43-R126 VanDerWaalsContact OH-CZ 3.26Å; Y43-R126 PolarHBondContact OH-NE 3.37Å; Y43-R126 PolarHBondContact OH-NH2 2.95Å
44	H	91.2	Very high	93.1	Very high	24 Å²	24	34.5 Å²	34.5	11%	0.111	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.4	178.4	-49.5	-66.7	0	0	0	110.1	S41 G42 G46 L47 T49 K54	S41-H44 PolarHBondContact OG-NE2 3.42Å; G42-H44 PolarHBondContact O-CD2 3.44Å; G42-H44 PolarHBondContact O-N 3.07Å; G42-H44 PolarHBondContact O-NE2 3.39Å; H44-G46 VanDerWaalsContact C-N 3.27Å; H44-G46 PolarHBondContact O-N 3.2Å; H44-G46 VanDerWaalsContact O-N 3.13Å; H44-L47 PolarHBondContact N-O 3.13Å; H44-L47 PolarHBondContact O-N 3.1Å; H44-T49 PolarHBondContact CD2-O 2.97Å; H44-T49 PolarHBondContact CD2-OG1 3.18Å; H44-K54 HydrophobicContact CB-CB 3.75Å; H44-K54 HydrophobicContact CB-CD 4.49Å; H44-K54 HydrophobicContact CB-CG 3.79Å; H44-K54 VanDerWaalsContact CE1-CE 3.48Å; H44-K54 WeakPolarHBondContact CE1-CE 3.48Å; H44-K54 WeakPolarHBondContact ND1-CD 3.46Å; H44-K54 VanDerWaalsContact ND1-CE 3.29Å; H44-K54 WeakPolarHBondContact ND1-CE 3.35Å
45	Y	91.3	Very high	93.3	Very high	44 Å²	44	33.6 Å²	33.6	17%	0.173	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	36.7	172.8	-47.5	-66.3	0	0	0	115.3	K54 F57 K58 M98 K99 A102 V103	Y45-K54 HydrophobicContact CE2-CB 4.4Å; Y45-K54 HydrophobicContact CE2-CG 3.81Å; Y45-F57 AromaticContact CD2-CD1 3.85Å; Y45-F57 HydrophobicContact CD2-CD1 3.85Å; Y45-F57 AromaticContact CG-CD1 3.92Å; Y45-F57 HydrophobicContact CG-CD1 3.92Å; Y45-F57 HydrophobicContact CG-CE1 4.26Å; Y45-K58 HydrophobicContact CE2-CB 4.1Å; Y45-K58 WeakPolarHBondContact OH-CD 3.1Å; Y45-M98 HydrophobicContact CD2-CE 3.96Å; Y45-M98 CarbonylContact O-C 3.6Å; Y45-M98 WeakPolarHBondContact O-CA 3.42Å; Y45-K99 PolarHBondContact O-N 3.05Å; Y45-A102 HydrophobicContact CD1-CB 3.93Å; Y45-V103 HydrophobicContact CD1-CG2 3.65Å; Y45-V103 HydrophobicContact CE1-CG2 3.82Å; Y45-V103 HydrophobicContact CG-CG2 4.2Å
46	G	85.1	Confident	93.4	Very high	5 Å²	5	34.5 Å²	34.5	5%	0.052	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	121	-21.1	176.3	0	0	0	0	0	115.8	Y43 H44 R126	Y43-G46 WeakPolarHBondContact CE1-O 3.47Å; H44-G46 VanDerWaalsContact C-N 3.27Å; H44-G46 PolarHBondContact O-N 3.2Å; H44-G46 VanDerWaalsContact O-N 3.13Å; G46-R126 PolarHBondContact O-NH2 2.79Å
47	L	88.2	Confident	93.4	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	165.4	-177.3	56	142.6	0	0	0	114.3	P34 H44 T49 V96 G97 M98	P34-L47 HydrophobicContact CG-CD1 3.49Å; P34-L47 VanDerWaalsContact CG-CD1 3.49Å; H44-L47 PolarHBondContact N-O 3.13Å; H44-L47 PolarHBondContact O-N 3.1Å; L47-T49 HydrophobicContact CD1-CG2 3.53Å; L47-T49 HydrophobicContact CG-CG2 3.84Å; L47-T49 PolarHBondContact O-N 3.03Å; L47-V96 HydrophobicContact CD1-CB 4.42Å; L47-V96 HydrophobicContact CD1-CG2 3.82Å; L47-V96 WeakPolarHBondContact CD2-O 3.47Å; L47-G97 VanDerWaalsContact CD2-O 3.27Å; L47-G97 WeakPolarHBondContact CD2-O 3.42Å; L47-M98 HydrophobicContact CD2-CB 4.31Å; L47-M98 HydrophobicContact CD2-CG 3.63Å; L47-M98 HydrophobicContact CG-CG 4.35Å
48	L	89.4	Confident	93.4	Very high	43 Å²	43	36 Å²	36	23%	0.225	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	117.1	167	-67.8	177.6	0	0	0	110.6	E30 P34 V40 G42 Y43	E30-L48 HydrophobicContact CG-CD1 4.3Å; P34-L48 WeakPolarHBondContact CD-O 3.12Å; V40-L48 HydrophobicContact CG1-CB 3.85Å; V40-L48 HydrophobicContact CG1-CD2 3.94Å; V40-L48 HydrophobicContact CG1-CG 4.38Å; V40-L48 HydrophobicContact CG2-CB 4.13Å; G42-L48 WeakPolarHBondContact O-CA 3.19Å; Y43-L48 HydrophobicContact CD2-CD2 3.45Å; Y43-L48 VanDerWaalsContact CD2-CD2 3.45Å; Y43-L48 HydrophobicContact CD2-CG 3.86Å; Y43-L48 HydrophobicContact CE2-CD2 3.86Å; Y43-L48 HydrophobicContact CE2-CG 3.76Å; Y43-L48 HydrophobicContact CG-CD2 4.4Å
49	T	93.9	Very high	93.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.			trans	-146.6	165.3	178.6	48.9	0	0	0	0	112.3	V35 S41 G42 H44 L47 M98	V35-T49 HydrophobicContact CG2-CG2 4.45Å; S41-T49 PolarHBondContact N-O 2.67Å; G42-T49 PolarHBondContact O-N 3.26Å; H44-T49 PolarHBondContact CD2-O 2.97Å; H44-T49 PolarHBondContact CD2-OG1 3.18Å; L47-T49 HydrophobicContact CD1-CG2 3.53Å; L47-T49 HydrophobicContact CG-CG2 3.84Å; L47-T49 PolarHBondContact O-N 3.03Å; T49-M98 HydrophobicContact CG2-CE 4.39Å; T49-M98 HydrophobicContact CG2-SD 4.29Å
50	C	97	Very high	93.5	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.014	18%	0.179	C	C	.	.			trans	-76.5	153.2	172.7	74.3	0	0	0	0	112.1	C33 C36 D38 K39 S52 C53 K54 R82	C33-C50 HydrophobicContact CB-CB 3.82Å; C33-C50 PolarHBondContact SG-N 2.87Å; C33-C50 VanDerWaalsContact SG-SG 3.66Å; C36-C50 VanDerWaalsContact SG-SG 3.64Å; D38-C50 HydrophobicContact CB-CB 4.03Å; K39-C50 WeakPolarHBondContact O-CA 3.48Å; K39-C50 WeakPolarHBondContact O-CB 3.48Å; C50-S52 PolarHBondContact O-N 3.02Å; C50-S52 VanDerWaalsContact O-N 3.13Å; C50-C53 PolarHBondContact O-N 3.4Å; C50-K54 PolarHBondContact O-N 2.97Å; C50-R82 PolarHBondContact SG-NH1 3.38Å
51	E	96.3	Very high	93.6	Very high	99 Å²	99	35.4 Å²	35.4	46%	0.463	18%	0.18	S	C	.	.	H	α-helix	trans	-54.9	-35.3	-177.5	-170.1	60.4	-154.7	0	0	113.4	S41 C53 K54 G55	S41-E51 WeakPolarHBondContact OG-CA 3.34Å; S41-E51 PolarHBondContact OG-N 3.02Å; S41-E51 VanDerWaalsContact OG-N 3.1Å; S41-E51 PolarHBondContact OG-OE2 3.48Å; E51-C53 PolarHBondContact O-N 2.94Å; E51-K54 VanDerWaalsContact CD-CD 3.44Å; E51-K54 VanDerWaalsContact OE1-CD 3.27Å; E51-K54 WeakPolarHBondContact OE1-CD 3.2Å; E51-K54 WeakPolarHBondContact OE1-CE 3.4Å; E51-K54 IonicContact OE1-NZ 3.19Å; E51-K54 PolarHBondContact OE1-NZ 3.39Å; E51-K54 WeakPolarHBondContact OE2-CD 3.07Å; E51-K54 IonicContact OE2-NZ 2.73Å; E51-K54 PolarHBondContact OE2-NZ 3.01Å; E51-G55 PolarHBondContact O-N 3.33Å
52	S	97.2	Very high	93.5	Very high	40 Å²	40	34.4 Å²	34.4	28%	0.28	17%	0.168	S	C	.	.	H	α-helix	trans	-71.1	-30.6	-179.7	93.8	0	0	0	0	113	C50 F56 R82 R89	C50-S52 PolarHBondContact O-N 3.02Å; C50-S52 VanDerWaalsContact O-N 3.13Å; S52-F56 WeakPolarHBondContact O-CB 3.48Å; S52-F56 PolarHBondContact O-N 3.06Å; S52-R82 VanDerWaalsContact OG-CZ 3.31Å; S52-R82 PolarHBondContact OG-NH1 2.84Å; S52-R89 VanDerWaalsContact C-NH2 3.32Å; S52-R89 PolarHBondContact O-NH2 3.45Å; S52-R89 PolarHBondContact OG-NH2 3.45Å
53	C	98.3	Very high	93.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-76.6	-43.1	176.4	-72.6	0	0	0	0	111.6	V35 C50 E51 G55 F56 F57 R89	V35-C53 HydrophobicContact CB-CB 4.5Å; V35-C53 HydrophobicContact CG2-CB 4.49Å; C50-C53 PolarHBondContact O-N 3.4Å; E51-C53 PolarHBondContact O-N 2.94Å; C53-G55 PolarHBondContact O-N 3.33Å; C53-F56 PolarHBondContact O-N 3.21Å; C53-F57 VanDerWaalsContact O-CB 3.26Å; C53-F57 WeakPolarHBondContact O-CB 3.05Å; C53-F57 PolarHBondContact O-N 3.48Å; C53-R89 PolarHBondContact SG-NH2 2.9Å
54	K	96.3	Very high	94.1	Very high	55 Å²	55	41.7 Å²	41.7	24%	0.239	20%	0.198	C	C	.	.	H	α-helix	trans	-49.5	-55.4	166.3	168.9	-150.7	-164.9	-177.3	0	111.6	H44 Y45 C50 E51 F56 F57 K58	H44-K54 HydrophobicContact CB-CB 3.75Å; H44-K54 HydrophobicContact CB-CD 4.49Å; H44-K54 HydrophobicContact CB-CG 3.79Å; H44-K54 VanDerWaalsContact CE1-CE 3.48Å; H44-K54 WeakPolarHBondContact CE1-CE 3.48Å; H44-K54 WeakPolarHBondContact ND1-CD 3.46Å; H44-K54 VanDerWaalsContact ND1-CE 3.29Å; H44-K54 WeakPolarHBondContact ND1-CE 3.35Å; Y45-K54 HydrophobicContact CE2-CB 4.4Å; Y45-K54 HydrophobicContact CE2-CG 3.81Å; C50-K54 PolarHBondContact O-N 2.97Å; E51-K54 VanDerWaalsContact CD-CD 3.44Å; E51-K54 VanDerWaalsContact OE1-CD 3.27Å; E51-K54 WeakPolarHBondContact OE1-CD 3.2Å; E51-K54 WeakPolarHBondContact OE1-CE 3.4Å; E51-K54 IonicContact OE1-NZ 3.19Å; E51-K54 PolarHBondContact OE1-NZ 3.39Å; E51-K54 WeakPolarHBondContact OE2-CD 3.07Å; E51-K54 IonicContact OE2-NZ 2.73Å; E51-K54 PolarHBondContact OE2-NZ 3.01Å; K54-F56 PolarHBondContact O-N 2.97Å; K54-F57 PolarHBondContact O-N 3.32Å; K54-K58 WeakPolarHBondContact O-CB 3.36Å; K54-K58 PolarHBondContact O-N 3.25Å
55	G	96.5	Very high	94.3	Very high	16 Å²	16	46.2 Å²	46.2	17%	0.165	22%	0.217	C	C	.	.	H	α-helix	trans	-64.7	-36.8	-178.6	0	0	0	0	0	113.5	E51 C53 R59	E51-G55 PolarHBondContact O-N 3.33Å; C53-G55 PolarHBondContact O-N 3.33Å; G55-R59 WeakPolarHBondContact O-CG 3.34Å; G55-R59 PolarHBondContact O-N 2.95Å; G55-R59 PolarHBondContact O-NE 3.47Å; G55-R59 PolarHBondContact O-NH1 2.99Å
56	F	98.3	Very high	94.4	Very high	19 Å²	19	50.7 Å²	50.7	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-57.4	173	173.6	-104.3	0	0	0	111.4	S52 C53 K54 K58 R59 T60 Y67 P86 R89 F90	S52-F56 WeakPolarHBondContact O-CB 3.48Å; S52-F56 PolarHBondContact O-N 3.06Å; C53-F56 PolarHBondContact O-N 3.21Å; K54-F56 PolarHBondContact O-N 2.97Å; F56-K58 PolarHBondContact O-N 2.96Å; F56-R59 PolarHBondContact O-N 3.19Å; F56-T60 PolarHBondContact O-N 3.13Å; F56-T60 PolarHBondContact O-OG1 2.92Å; F56-T60 VanDerWaalsContact O-OG1 3.13Å; F56-Y67 AromaticContact CE2-CE2 3.89Å; F56-Y67 HydrophobicContact CE2-CE2 3.89Å; F56-Y67 HydrophobicContact CZ-CD2 4.39Å; F56-Y67 AromaticContact CZ-CE2 3.72Å; F56-Y67 HydrophobicContact CZ-CE2 3.72Å; F56-P86 HydrophobicContact CE2-CB 4.04Å; F56-P86 HydrophobicContact CZ-CB 4.15Å; F56-P86 WeakPolarHBondContact CZ-O 3.31Å; F56-R89 HydrophobicContact CD1-CG 3.95Å; F56-R89 HydrophobicContact CE1-CB 4.05Å; F56-R89 HydrophobicContact CE1-CG 3.66Å; F56-R89 HydrophobicContact CZ-CB 4.22Å; F56-R89 HydrophobicContact CZ-CG 4.21Å; F56-F90 HydrophobicContact CE1-CB 3.85Å; F56-F90 HydrophobicContact CE1-CD2 4.2Å; F56-F90 HydrophobicContact CZ-CB 4.02Å
57	F	97.5	Very high	95	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-55.8	-46.6	-177.2	-170.6	-98.2	0	0	0	112.5	Y45 C53 K54 R59 T60 V61 F90 C93 L94 M98 K99 I100 V103	Y45-F57 AromaticContact CD2-CD1 3.85Å; Y45-F57 HydrophobicContact CD2-CD1 3.85Å; Y45-F57 AromaticContact CG-CD1 3.92Å; Y45-F57 HydrophobicContact CG-CD1 3.92Å; Y45-F57 HydrophobicContact CG-CE1 4.26Å; C53-F57 VanDerWaalsContact O-CB 3.26Å; C53-F57 WeakPolarHBondContact O-CB 3.05Å; C53-F57 PolarHBondContact O-N 3.48Å; K54-F57 PolarHBondContact O-N 3.32Å; F57-R59 VanDerWaalsContact C-N 3.34Å; F57-R59 PolarHBondContact O-N 2.94Å; F57-T60 PolarHBondContact O-N 3.16Å; F57-V61 HydrophobicContact CD1-CG2 4.48Å; F57-V61 HydrophobicContact CE1-CG2 4.12Å; F57-V61 HydrophobicContact CZ-CG2 4.15Å; F57-V61 PolarHBondContact O-N 3.47Å; F57-F90 AromaticContact CD2-CD2 3.96Å; F57-F90 HydrophobicContact CD2-CD2 3.96Å; F57-F90 AromaticContact CD2-CE2 3.54Å; F57-F90 HydrophobicContact CD2-CE2 3.54Å; F57-F90 HydrophobicContact CE2-CD2 4.26Å; F57-F90 AromaticContact CE2-CE2 3.55Å; F57-F90 HydrophobicContact CE2-CE2 3.55Å; F57-F90 HydrophobicContact CE2-CZ 4.25Å; F57-F90 HydrophobicContact CG-CE2 4.48Å; F57-F90 HydrophobicContact CZ-CE2 4.48Å; F57-C93 HydrophobicContact CD2-CB 3.67Å; F57-C93 HydrophobicContact CE2-CB 4.11Å; F57-L94 HydrophobicContact CE2-CD2 3.81Å; F57-L94 HydrophobicContact CZ-CD2 4.17Å; F57-M98 HydrophobicContact CB-CE 3.84Å; F57-M98 HydrophobicContact CB-SD 4.15Å; F57-M98 HydrophobicContact CD1-CB 4.31Å; F57-M98 HydrophobicContact CD1-CE 4.16Å; F57-M98 HydrophobicContact CD2-CB 3.79Å; F57-M98 HydrophobicContact CD2-CE 4.49Å; F57-M98 HydrophobicContact CD2-SD 4.11Å; F57-M98 HydrophobicContact CE1-CB 4.06Å; F57-M98 HydrophobicContact CE2-CB 3.51Å; F57-M98 HydrophobicContact CG-CB 4.19Å; F57-M98 HydrophobicContact CG-CE 3.91Å; F57-M98 HydrophobicContact CG-SD 4.1Å; F57-M98 HydrophobicContact CZ-CB 3.66Å; F57-M98 VanDerWaalsContact CZ-O 3.22Å; F57-M98 WeakPolarHBondContact CZ-O 3.4Å; F57-K99 WeakPolarHBondContact CE1-O 3.39Å; F57-I100 HydrophobicContact CZ-CG1 4.05Å; F57-V103 HydrophobicContact CD1-CG2 3.89Å; F57-V103 HydrophobicContact CE1-CG2 3.69Å
58	K	95	Very high	95.3	Very high	84 Å²	84	61.9 Å²	61.9	37%	0.365	30%	0.297	S	S	.	.	H	α-helix	trans	-54.7	-48.2	173.9	-175.1	-174.8	176.3	175.8	0	111.8	Y45 K54 F56 Q62 V103	Y45-K58 HydrophobicContact CE2-CB 4.1Å; Y45-K58 WeakPolarHBondContact OH-CD 3.1Å; K54-K58 WeakPolarHBondContact O-CB 3.36Å; K54-K58 PolarHBondContact O-N 3.25Å; F56-K58 PolarHBondContact O-N 2.96Å; K58-Q62 HydrophobicContact CG-CG 4.25Å; K58-Q62 WeakPolarHBondContact O-CB 3.38Å; K58-Q62 WeakPolarHBondContact O-CG 3.43Å; K58-Q62 PolarHBondContact O-N 2.85Å; K58-V103 HydrophobicContact CG-CG1 4.45Å
59	R	95.2	Very high	95.7	Very high	147 Å²	147	61 Å²	61	56%	0.555	29%	0.294	S	S	*	.	H	α-helix	trans	-69.4	-30.6	-179.2	-75	-172.9	-60.1	-97	-0.7	112.8	G55 F56 F57 N63	G55-R59 WeakPolarHBondContact O-CG 3.34Å; G55-R59 PolarHBondContact O-N 2.95Å; G55-R59 PolarHBondContact O-NE 3.47Å; G55-R59 PolarHBondContact O-NH1 2.99Å; F56-R59 PolarHBondContact O-N 3.19Å; F57-R59 VanDerWaalsContact C-N 3.34Å; F57-R59 PolarHBondContact O-N 2.94Å; R59-N63 WeakPolarHBondContact O-CB 3.43Å; R59-N63 PolarHBondContact O-ND2 2.96Å
60	T	97	Very high	95.7	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.006	34%	0.339	C	S	.	.	H	α-helix	trans	-67.8	-51.2	175.6	-52.4	0	0	0	0	110.5	F56 F57 K64 K65 Y67 F90	F56-T60 PolarHBondContact O-N 3.13Å; F56-T60 PolarHBondContact O-OG1 2.92Å; F56-T60 VanDerWaalsContact O-OG1 3.13Å; F57-T60 PolarHBondContact O-N 3.16Å; T60-K64 PolarHBondContact O-N 3.24Å; T60-K65 HydrophobicContact CG2-CB 4.12Å; T60-K65 WeakPolarHBondContact CG2-O 3.18Å; T60-K65 PolarHBondContact O-N 3.46Å; T60-Y67 HydrophobicContact CG2-CD2 4.17Å; T60-Y67 HydrophobicContact CG2-CE2 3.52Å; T60-Y67 PolarHBondContact OG1-OH 3.01Å; T60-F90 HydrophobicContact CG2-CD1 3.94Å; T60-F90 HydrophobicContact CG2-CD2 3.53Å; T60-F90 HydrophobicContact CG2-CE1 3.92Å; T60-F90 HydrophobicContact CG2-CE2 3.52Å; T60-F90 HydrophobicContact CG2-CG 3.75Å; T60-F90 HydrophobicContact CG2-CZ 3.72Å
61	V	94.5	Very high	95.5	Very high	26 Å²	26	70.2 Å²	70.2	16%	0.158	36%	0.363	C	S	.	.	H	α-helix	trans	-68.8	-52	-178	177.8	0	0	0	0	112.4	F57 N63 K64 F90 I100 V103	F57-V61 HydrophobicContact CD1-CG2 4.48Å; F57-V61 HydrophobicContact CE1-CG2 4.12Å; F57-V61 HydrophobicContact CZ-CG2 4.15Å; F57-V61 PolarHBondContact O-N 3.47Å; V61-N63 PolarHBondContact O-N 3.01Å; V61-K64 PolarHBondContact O-N 3.36Å; V61-F90 HydrophobicContact CG2-CE2 4.15Å; V61-F90 HydrophobicContact CG2-CZ 4.08Å; V61-I100 HydrophobicContact CG1-CG2 3.74Å; V61-I100 HydrophobicContact CG2-CG1 4.32Å; V61-I100 HydrophobicContact CG2-CG2 4.14Å; V61-V103 HydrophobicContact CB-CB 4.14Å; V61-V103 HydrophobicContact CB-CG1 4.03Å; V61-V103 HydrophobicContact CB-CG2 4.14Å; V61-V103 HydrophobicContact CG1-CB 3.76Å; V61-V103 HydrophobicContact CG1-CG1 3.9Å; V61-V103 HydrophobicContact CG1-CG2 4.21Å; V61-V103 HydrophobicContact CG2-CG2 4.3Å
62	Q	91.7	Very high	95.4	Very high	38 Å²	38	74.4 Å²	74.4	18%	0.178	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.6	-176.3	-68.4	-166	-41.2	0	0	115.4	K58 V103 R104 R107	K58-Q62 HydrophobicContact CG-CG 4.25Å; K58-Q62 WeakPolarHBondContact O-CB 3.38Å; K58-Q62 WeakPolarHBondContact O-CG 3.43Å; K58-Q62 PolarHBondContact O-N 2.85Å; Q62-V103 HydrophobicContact CG-CG1 3.4Å; Q62-R104 PolarHBondContact NE2-O 3.46Å; Q62-R107 PolarHBondContact O-NH2 2.93Å; Q62-R107 VanDerWaalsContact O-NH2 3.1Å
63	N	93.3	Very high	95.2	Very high	75 Å²	75	78.5 Å²	78.5	40%	0.401	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	11.5	174.8	-57.8	-67.9	0	0	0	112	R59 V61 K65 R107	R59-N63 WeakPolarHBondContact O-CB 3.43Å; R59-N63 PolarHBondContact O-ND2 2.96Å; V61-N63 PolarHBondContact O-N 3.01Å; N63-K65 HydrophobicContact CB-CG 3.91Å; N63-K65 PolarHBondContact O-N 2.74Å; N63-K65 VanDerWaalsContact O-N 3.07Å; N63-R107 PolarHBondContact OD1-NH2 3.47Å
64	K	92.3	Very high	95	Very high	153 Å²	153	85.5 Å²	85.5	67%	0.665	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.7	42.8	-179.9	-56.7	-173.1	-179.7	-174.8	0	112.2	T60 V61 V66 E105	T60-K64 PolarHBondContact O-N 3.24Å; V61-K64 PolarHBondContact O-N 3.36Å; K64-V66 PolarHBondContact O-N 3.37Å; K64-E105 WeakPolarHBondContact CE-OE1 3.43Å; K64-E105 IonicContact NZ-OE1 3.89Å; K64-E105 PolarHBondContact NZ-OE1 3.31Å
65	K	95.5	Very high	95	Very high	119 Å²	119	84.6 Å²	84.6	52%	0.517	44%	0.435	S	S	.	.			trans	-76.1	107.8	-173.5	-76.7	-77.1	179	-175.3	0	110.6	T60 N63 Y67	T60-K65 HydrophobicContact CG2-CB 4.12Å; T60-K65 WeakPolarHBondContact CG2-O 3.18Å; T60-K65 PolarHBondContact O-N 3.46Å; N63-K65 HydrophobicContact CB-CG 3.91Å; N63-K65 PolarHBondContact O-N 2.74Å; N63-K65 VanDerWaalsContact O-N 3.07Å; K65-Y67 HydrophobicContact CB-CE1 4.19Å; K65-Y67 HydrophobicContact CB-CE2 4.39Å
66	V	94	Very high	94.9	Very high	138 Å²	138	88.5 Å²	88.5	84%	0.836	46%	0.457	S	S	*	.			trans	-74.7	139.2	161.4	-174.5	0	0	0	0	108.6	K64	K64-V66 PolarHBondContact O-N 3.37Å
67	Y	96.9	Very high	94.8	Very high	64 Å²	64	88.3 Å²	88.3	25%	0.251	46%	0.457	S	S	.	.			trans	-126	146.1	172.2	-60.5	-59	0	0	0	109.2	F56 T60 K65 P86 H87 F90	F56-Y67 AromaticContact CE2-CE2 3.89Å; F56-Y67 HydrophobicContact CE2-CE2 3.89Å; F56-Y67 HydrophobicContact CZ-CD2 4.39Å; F56-Y67 AromaticContact CZ-CE2 3.72Å; F56-Y67 HydrophobicContact CZ-CE2 3.72Å; T60-Y67 HydrophobicContact CG2-CD2 4.17Å; T60-Y67 HydrophobicContact CG2-CE2 3.52Å; T60-Y67 PolarHBondContact OG1-OH 3.01Å; K65-Y67 HydrophobicContact CB-CE1 4.19Å; K65-Y67 HydrophobicContact CB-CE2 4.39Å; Y67-P86 HydrophobicContact CD1-CB 3.93Å; Y67-P86 HydrophobicContact CD1-CG 3.85Å; Y67-P86 HydrophobicContact CD2-CB 3.92Å; Y67-P86 HydrophobicContact CE1-CB 4.03Å; Y67-P86 HydrophobicContact CE1-CG 4.27Å; Y67-P86 HydrophobicContact CE2-CB 4.01Å; Y67-P86 HydrophobicContact CG-CB 3.89Å; Y67-P86 HydrophobicContact CG-CG 4.02Å; Y67-H87 PolarHBondContact O-ND1 3.39Å; Y67-F90 HydrophobicContact CD2-CB 4.32Å
68	Q	96	Very high	94.7	Very high	180 Å²	180	91.2 Å²	91.2	84%	0.841	47%	0.473	S	S	*	.			trans	-111.9	155.3	174.3	-146.7	161.5	5.6	0	0	109.2
69	C	97.2	Very high	94.7	Very high	24 Å²	24	92.9 Å²	92.9	16%	0.162	48%	0.48	C	S	.	.			trans	-102.1	133.3	176.9	-167.6	0	0	0	0	109.8	A71 Q73 H87 C88	C69-A71 WeakPolarHBondContact CB-O 3.43Å; C69-A71 PolarHBondContact O-N 2.88Å; C69-A71 PolarHBondContact SG-O 3.01Å; C69-Q73 HydrophobicContact CB-CG 3.92Å; C69-H87 HydrophobicContact CB-CB 4.13Å; C69-C88 VanDerWaalsContact SG-SG 3.61Å
70	S	94.8	Very high	94.7	Very high	135 Å²	135	91.6 Å²	91.6	94%	0.944	49%	0.489	S	S	*	.	S	Bend	trans	-82.5	16.7	175.5	-47.6	0	0	0	0	113.4
71	A	92.8	Very high	94.5	Very high	61 Å²	61	92 Å²	92	50%	0.504	49%	0.492	S	S	.	.	S	Bend	trans	-161.5	-173.4	-174.5	0	0	0	0	0	108.5	C69 Q73	C69-A71 WeakPolarHBondContact CB-O 3.43Å; C69-A71 PolarHBondContact O-N 2.88Å; C69-A71 PolarHBondContact SG-O 3.01Å; A71-Q73 PolarHBondContact O-N 2.67Å
72	E	93.1	Very high	94.5	Very high	187 Å²	187	92.5 Å²	92.5	87%	0.874	49%	0.491	S	S	*	.	S	Bend	trans	-67	31.4	-170.3	-60.5	165.1	-159.4	0	0	116.9	N74	E72-N74 PolarHBondContact O-N 3.47Å
73	Q	93.2	Very high	94.7	Very high	126 Å²	126	99.8 Å²	99.8	59%	0.589	52%	0.522	S	S	*	.	S	Bend	trans	56.2	5.1	177.1	-57.5	-176.3	39.7	0	0	116.6	C69 A71 H87 C88	C69-Q73 HydrophobicContact CB-CG 3.92Å; A71-Q73 PolarHBondContact O-N 2.67Å; Q73-H87 PolarHBondContact OE1-NE2 3.4Å; Q73-C88 PolarHBondContact O-SG 2.9Å
74	N	93.7	Very high	94.8	Very high	147 Å²	147	106.4 Å²	106.4	79%	0.786	54%	0.541	S	S	*	.			trans	-118.1	32	-177.5	-164.2	29.1	0	0	0	112.8	E72	E72-N74 PolarHBondContact O-N 3.47Å
75	C	96.3	Very high	95.1	Very high	37 Å²	37	99.7 Å²	99.7	25%	0.25	51%	0.513	C	S	.	.			trans	-61.3	140.6	178.7	-56.8	0	0	0	0	111.2	C85 C88	C75-C85 HydrophobicContact CB-CB 3.83Å; C75-C88 HydrophobicContact CB-CB 3.95Å; C75-C88 VanDerWaalsContact CB-SG 3.59Å; C75-C88 PolarHBondContact N-SG 2.99Å; C75-C88 VanDerWaalsContact SG-SG 3.68Å
76	P	94.3	Very high	95.1	Very high	98 Å²	98	96.1 Å²	96.1	64%	0.636	50%	0.502	S	S	*	.			trans	-59.6	151.5	174.4	25.1	-34	0	0	0	111.6	C81	P76-C81 VanDerWaalsContact C-SG 3.54Å; P76-C81 PolarHBondContact O-SG 3.01Å
77	V	96.4	Very high	95.4	Very high	14 Å²	14	91 Å²	91	9%	0.085	47%	0.469	C	S	.	.			trans	-141	96.7	-179.4	-174.9	0	0	0	0	109.3	V35 C36 R82 C88 R89 K92	V35-V77 HydrophobicContact CG1-CG1 4.34Å; V35-V77 WeakPolarHBondContact O-CG1 3.43Å; C36-V77 HydrophobicContact CB-CG1 4.23Å; V77-R82 HydrophobicContact CG1-CB 3.97Å; V77-C88 HydrophobicContact CG2-CB 4.25Å; V77-R89 HydrophobicContact CG1-CB 4.2Å; V77-R89 HydrophobicContact CG1-CG 4.05Å; V77-R89 HydrophobicContact CG2-CB 4.41Å; V77-K92 HydrophobicContact CB-CD 3.87Å; V77-K92 HydrophobicContact CG1-CD 4.34Å; V77-K92 HydrophobicContact CG2-CD 4.32Å; V77-K92 PolarHBondContact O-NZ 3.27Å
78	D	95	Very high	95.4	Very high	61 Å²	61	88.1 Å²	88.1	33%	0.326	46%	0.459	S	S	.	.			trans	-124.9	-178.3	175.4	67	64.7	0	0	0	111.4	C36 T80 C81 R82	C36-D78 CarbonylContact O-C 3.54Å; C36-D78 VanDerWaalsContact O-C 3.25Å; C36-D78 WeakPolarHBondContact O-CA 3.41Å; D78-T80 PolarHBondContact O-N 3.08Å; D78-T80 WeakPolarHBondContact OD1-CA 3.23Å; D78-T80 WeakPolarHBondContact OD1-CB 3.28Å; D78-T80 PolarHBondContact OD1-N 3Å; D78-T80 PolarHBondContact OD1-OG1 3.06Å; D78-C81 PolarHBondContact N-SG 3.33Å; D78-C81 PolarHBondContact O-N 3.29Å; D78-C81 PolarHBondContact OD1-N 3.47Å; D78-C81 PolarHBondContact OD2-SG 3.02Å; D78-R82 WeakPolarHBondContact O-CB 3.41Å; D78-R82 WeakPolarHBondContact O-CD 3.41Å; D78-R82 WeakPolarHBondContact O-CG 3.26Å; D78-R82 PolarHBondContact O-N 2.72Å
79	K	95.3	Very high	95.5	Very high	120 Å²	120	80.3 Å²	80.3	52%	0.522	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.7	-176.1	-179.8	170.3	177.6	151.4	0	113.4	C36 D38 R82	C36-K79 PolarHBondContact O-N 3.4Å; D38-K79 HydrophobicContact CB-CB 4.23Å; D38-K79 HydrophobicContact CB-CD 4.05Å; D38-K79 HydrophobicContact CB-CG 4Å; D38-K79 VanDerWaalsContact OD1-CD 3.31Å; D38-K79 WeakPolarHBondContact OD1-CD 3.4Å; D38-K79 WeakPolarHBondContact OD1-CE 3.08Å; D38-K79 IonicContact OD1-NZ 3.35Å; D38-K79 PolarHBondContact OD1-NZ 3.21Å; K79-R82 PolarHBondContact O-NE 2.87Å
80	T	94.6	Very high	95.6	Very high	119 Å²	119	81 Å²	81	73%	0.73	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-50	-179.2	74.8	0	0	0	0	111.1	D78	D78-T80 PolarHBondContact O-N 3.08Å; D78-T80 WeakPolarHBondContact OD1-CA 3.23Å; D78-T80 WeakPolarHBondContact OD1-CB 3.28Å; D78-T80 PolarHBondContact OD1-N 3Å; D78-T80 PolarHBondContact OD1-OG1 3.06Å
81	C	93.8	Very high	95.7	Very high	10 Å²	10	79.2 Å²	79.2	7%	0.068	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-9.7	-168	83.1	0	0	0	0	114.5	P76 D78 K83 R84	P76-C81 VanDerWaalsContact C-SG 3.54Å; P76-C81 PolarHBondContact O-SG 3.01Å; D78-C81 PolarHBondContact N-SG 3.33Å; D78-C81 PolarHBondContact O-N 3.29Å; D78-C81 PolarHBondContact OD1-N 3.47Å; D78-C81 PolarHBondContact OD2-SG 3.02Å; C81-K83 PolarHBondContact O-N 2.72Å; C81-R84 VanDerWaalsContact O-CB 3.24Å; C81-R84 WeakPolarHBondContact O-CB 3.26Å; C81-R84 PolarHBondContact O-N 3.23Å
82	R	94	Very high	95.9	Very high	37 Å²	37	79.6 Å²	79.6	14%	0.14	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	3.2	177.5	62.2	-173.5	174.5	170.8	-0.6	117.4	C36 D38 C50 S52 V77 D78 K79 R89	C36-R82 HydrophobicContact CB-CB 4.32Å; C36-R82 PolarHBondContact SG-NH1 3.47Å; C36-R82 VanDerWaalsContact SG-NH1 3.38Å; D38-R82 IonicContact OD2-CZ 2.67Å; D38-R82 IonicContact OD2-NH1 2.7Å; D38-R82 PolarHBondContact OD2-NH1 2.7Å; D38-R82 IonicContact OD2-NH2 2.72Å; D38-R82 PolarHBondContact OD2-NH2 2.92Å; C50-R82 PolarHBondContact SG-NH1 3.38Å; S52-R82 VanDerWaalsContact OG-CZ 3.31Å; S52-R82 PolarHBondContact OG-NH1 2.84Å; V77-R82 HydrophobicContact CG1-CB 3.97Å; D78-R82 WeakPolarHBondContact O-CB 3.41Å; D78-R82 WeakPolarHBondContact O-CD 3.41Å; D78-R82 WeakPolarHBondContact O-CG 3.26Å; D78-R82 PolarHBondContact O-N 2.72Å; K79-R82 PolarHBondContact O-NE 2.87Å; R82-R89 VanDerWaalsContact O-CD 3.23Å; R82-R89 WeakPolarHBondContact O-CD 3.28Å; R82-R89 PolarHBondContact O-NH1 3.13Å
83	K	95.6	Very high	96.1	Very high	190 Å²	190	70.7 Å²	70.7	83%	0.826	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-23.2	167	-67.9	-178.6	179.2	177.6	0	113	C81	C81-K83 PolarHBondContact O-N 2.72Å
84	R	95.9	Very high	96.2	Very high	215 Å²	215	67.3 Å²	67.3	81%	0.811	33%	0.333	S	S	*	.	S	Bend	trans	-70.2	-38.5	-167.7	-168.4	178.4	-69.8	172.5	-1.2	113.7	C81	C81-R84 VanDerWaalsContact O-CB 3.24Å; C81-R84 WeakPolarHBondContact O-CB 3.26Å; C81-R84 PolarHBondContact O-N 3.23Å
85	C	97.8	Very high	96.2	Very high	11 Å²	11	68 Å²	68	7%	0.074	33%	0.329	C	S	.	.			trans	-133.2	104.7	174.6	-172.1	0	0	0	0	111.8	C75 H87 C88 R89	C75-C85 HydrophobicContact CB-CB 3.83Å; C85-H87 VanDerWaalsContact C-N 3.34Å; C85-C88 HydrophobicContact CB-CB 4.24Å; C85-C88 PolarHBondContact SG-SG 2.85Å; C85-R89 WeakPolarHBondContact O-CB 3.36Å; C85-R89 PolarHBondContact O-N 2.84Å
86	P	97.6	Very high	95.9	Very high	45 Å²	45	68.5 Å²	68.5	29%	0.292	33%	0.33	S	S	.	.	H	α-helix	trans	-71	-28.6	178.7	28.9	-34.2	0	0	0	112.5	F56 Y67 F90	F56-P86 HydrophobicContact CE2-CB 4.04Å; F56-P86 HydrophobicContact CZ-CB 4.15Å; F56-P86 WeakPolarHBondContact CZ-O 3.31Å; Y67-P86 HydrophobicContact CD1-CB 3.93Å; Y67-P86 HydrophobicContact CD1-CG 3.85Å; Y67-P86 HydrophobicContact CD2-CB 3.92Å; Y67-P86 HydrophobicContact CE1-CB 4.03Å; Y67-P86 HydrophobicContact CE1-CG 4.27Å; Y67-P86 HydrophobicContact CE2-CB 4.01Å; Y67-P86 HydrophobicContact CG-CB 3.89Å; Y67-P86 HydrophobicContact CG-CG 4.02Å; P86-F90 WeakPolarHBondContact O-CB 3.22Å; P86-F90 PolarHBondContact O-N 2.83Å
87	H	98.3	Very high	95.6	Very high	29 Å²	29	64.6 Å²	64.6	13%	0.134	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-59.4	174.6	177	98.8	0	0	0	111.2	Y67 C69 Q73 C85 R89 F90 Q91	Y67-H87 PolarHBondContact O-ND1 3.39Å; C69-H87 HydrophobicContact CB-CB 4.13Å; Q73-H87 PolarHBondContact OE1-NE2 3.4Å; C85-H87 VanDerWaalsContact C-N 3.34Å; H87-R89 PolarHBondContact O-N 3.4Å; H87-F90 PolarHBondContact O-N 3.16Å; H87-Q91 PolarHBondContact O-N 2.82Å
88	C	98	Very high	95.4	Very high	5 Å²	5	64.1 Å²	64.1	3%	0.034	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-35.1	-179.3	-60.1	0	0	0	0	111.8	C69 Q73 C75 V77 C85 K92	C69-C88 VanDerWaalsContact SG-SG 3.61Å; Q73-C88 PolarHBondContact O-SG 2.9Å; C75-C88 HydrophobicContact CB-CB 3.95Å; C75-C88 VanDerWaalsContact CB-SG 3.59Å; C75-C88 PolarHBondContact N-SG 2.99Å; C75-C88 VanDerWaalsContact SG-SG 3.68Å; V77-C88 HydrophobicContact CG2-CB 4.25Å; C85-C88 HydrophobicContact CB-CB 4.24Å; C85-C88 PolarHBondContact SG-SG 2.85Å; C88-K92 VanDerWaalsContact O-CB 3.31Å; C88-K92 WeakPolarHBondContact O-CB 3.39Å; C88-K92 PolarHBondContact O-N 2.77Å
89	R	98.3	Very high	95.1	Very high	15 Å²	15	63.1 Å²	63.1	6%	0.057	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-43.4	173.6	-175.1	176.3	-176.3	172.1	-0.5	112.8	V35 S52 C53 F56 V77 R82 C85 H87 K92 C93	V35-R89 HydrophobicContact CG1-CG 4.28Å; S52-R89 VanDerWaalsContact C-NH2 3.32Å; S52-R89 PolarHBondContact O-NH2 3.45Å; S52-R89 PolarHBondContact OG-NH2 3.45Å; C53-R89 PolarHBondContact SG-NH2 2.9Å; F56-R89 HydrophobicContact CD1-CG 3.95Å; F56-R89 HydrophobicContact CE1-CB 4.05Å; F56-R89 HydrophobicContact CE1-CG 3.66Å; F56-R89 HydrophobicContact CZ-CB 4.22Å; F56-R89 HydrophobicContact CZ-CG 4.21Å; V77-R89 HydrophobicContact CG1-CB 4.2Å; V77-R89 HydrophobicContact CG1-CG 4.05Å; V77-R89 HydrophobicContact CG2-CB 4.41Å; R82-R89 VanDerWaalsContact O-CD 3.23Å; R82-R89 WeakPolarHBondContact O-CD 3.28Å; R82-R89 PolarHBondContact O-NH1 3.13Å; C85-R89 WeakPolarHBondContact O-CB 3.36Å; C85-R89 PolarHBondContact O-N 2.84Å; H87-R89 PolarHBondContact O-N 3.4Å; R89-K92 PolarHBondContact O-N 3.46Å; R89-C93 PolarHBondContact O-N 2.96Å; R89-C93 PolarHBondContact O-SG 3.32Å
90	F	98.2	Very high	95	Very high	38 Å²	38	61.3 Å²	61.3	17%	0.167	29%	0.293	C	S	.	.	H	α-helix	trans	-70.4	-41.5	179.4	-171.7	-117.4	0	0	0	111.7	F56 F57 T60 V61 Y67 P86 H87 K92 C93 L94	F56-F90 HydrophobicContact CE1-CB 3.85Å; F56-F90 HydrophobicContact CE1-CD2 4.2Å; F56-F90 HydrophobicContact CZ-CB 4.02Å; F57-F90 AromaticContact CD2-CD2 3.96Å; F57-F90 HydrophobicContact CD2-CD2 3.96Å; F57-F90 AromaticContact CD2-CE2 3.54Å; F57-F90 HydrophobicContact CD2-CE2 3.54Å; F57-F90 HydrophobicContact CE2-CD2 4.26Å; F57-F90 AromaticContact CE2-CE2 3.55Å; F57-F90 HydrophobicContact CE2-CE2 3.55Å; F57-F90 HydrophobicContact CE2-CZ 4.25Å; F57-F90 HydrophobicContact CG-CE2 4.48Å; F57-F90 HydrophobicContact CZ-CE2 4.48Å; T60-F90 HydrophobicContact CG2-CD1 3.94Å; T60-F90 HydrophobicContact CG2-CD2 3.53Å; T60-F90 HydrophobicContact CG2-CE1 3.92Å; T60-F90 HydrophobicContact CG2-CE2 3.52Å; T60-F90 HydrophobicContact CG2-CG 3.75Å; T60-F90 HydrophobicContact CG2-CZ 3.72Å; V61-F90 HydrophobicContact CG2-CE2 4.15Å; V61-F90 HydrophobicContact CG2-CZ 4.08Å; Y67-F90 HydrophobicContact CD2-CB 4.32Å; P86-F90 WeakPolarHBondContact O-CB 3.22Å; P86-F90 PolarHBondContact O-N 2.83Å; H87-F90 PolarHBondContact O-N 3.16Å; F90-K92 VanDerWaalsContact C-N 3.32Å; F90-K92 PolarHBondContact O-N 3.21Å; F90-C93 WeakPolarHBondContact O-CB 3.25Å; F90-C93 PolarHBondContact O-N 2.68Å; F90-C93 VanDerWaalsContact O-N 3.16Å; F90-L94 HydrophobicContact CD1-CD1 4.13Å; F90-L94 HydrophobicContact CE1-CD1 3.8Å; F90-L94 HydrophobicContact CE1-CG 4.37Å; F90-L94 HydrophobicContact CZ-CD1 4.22Å; F90-L94 HydrophobicContact CZ-CD2 4.29Å; F90-L94 HydrophobicContact CZ-CG 4.37Å; F90-L94 WeakPolarHBondContact O-CG 3.4Å; F90-L94 PolarHBondContact O-N 3.21Å
91	Q	96.9	Very high	94.6	Very high	98 Å²	98	60.2 Å²	60.2	46%	0.458	28%	0.279	S	S	.	.	H	α-helix	trans	-54.5	-47.7	168.8	-82.7	-68.6	8.4	0	0	111.5	H87 C93 L94 K95	H87-Q91 PolarHBondContact O-N 2.82Å; Q91-C93 PolarHBondContact O-N 2.93Å; Q91-L94 PolarHBondContact O-N 3.26Å; Q91-K95 WeakPolarHBondContact O-CB 3.41Å; Q91-K95 PolarHBondContact O-N 3.39Å
92	K	97	Very high	94.2	Very high	70 Å²	70	60.5 Å²	60.5	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-64.3	-35.8	177.1	-165.6	174	176.2	-170.3	0	112.8	P34 V35 V77 C88 R89 F90 K95 V96	P34-K92 WeakPolarHBondContact O-CE 3.28Å; V35-K92 VanDerWaalsContact O-CD 3.24Å; V35-K92 WeakPolarHBondContact O-CD 3.37Å; V35-K92 WeakPolarHBondContact O-CE 3.21Å; V35-K92 PolarHBondContact O-NZ 2.7Å; V77-K92 HydrophobicContact CB-CD 3.87Å; V77-K92 HydrophobicContact CG1-CD 4.34Å; V77-K92 HydrophobicContact CG2-CD 4.32Å; V77-K92 PolarHBondContact O-NZ 3.27Å; C88-K92 VanDerWaalsContact O-CB 3.31Å; C88-K92 WeakPolarHBondContact O-CB 3.39Å; C88-K92 PolarHBondContact O-N 2.77Å; R89-K92 PolarHBondContact O-N 3.46Å; F90-K92 VanDerWaalsContact C-N 3.32Å; F90-K92 PolarHBondContact O-N 3.21Å; K92-K95 PolarHBondContact O-N 2.76Å; K92-V96 WeakPolarHBondContact O-CG1 3.39Å; K92-V96 WeakPolarHBondContact O-CG2 3.42Å; K92-V96 PolarHBondContact O-N 3.29Å; K92-V96 VanDerWaalsContact O-N 3.09Å
93	C	97.5	Very high	94	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.2	-48.6	171.4	-70.7	0	0	0	0	111.9	F57 R89 F90 Q91 V96 G97 M98	F57-C93 HydrophobicContact CD2-CB 3.67Å; F57-C93 HydrophobicContact CE2-CB 4.11Å; R89-C93 PolarHBondContact O-N 2.96Å; R89-C93 PolarHBondContact O-SG 3.32Å; F90-C93 WeakPolarHBondContact O-CB 3.25Å; F90-C93 PolarHBondContact O-N 2.68Å; F90-C93 VanDerWaalsContact O-N 3.16Å; Q91-C93 PolarHBondContact O-N 2.93Å; C93-V96 WeakPolarHBondContact O-CG2 3.47Å; C93-G97 PolarHBondContact O-N 3.38Å; C93-M98 HydrophobicContact CB-CB 4.18Å; C93-M98 HydrophobicContact CB-CG 4.14Å; C93-M98 HydrophobicContact CB-SD 3.7Å; C93-M98 VanDerWaalsContact O-CB 3.25Å; C93-M98 WeakPolarHBondContact O-CB 3.41Å; C93-M98 WeakPolarHBondContact O-CG 3.39Å; C93-M98 PolarHBondContact O-N 3.04Å
94	L	95.6	Very high	93.3	Very high	54 Å²	54	56.1 Å²	56.1	28%	0.283	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-45.6	177.9	-63	172.8	0	0	0	111.1	F57 F90 Q91 V96 G97 I100	F57-L94 HydrophobicContact CE2-CD2 3.81Å; F57-L94 HydrophobicContact CZ-CD2 4.17Å; F90-L94 HydrophobicContact CD1-CD1 4.13Å; F90-L94 HydrophobicContact CE1-CD1 3.8Å; F90-L94 HydrophobicContact CE1-CG 4.37Å; F90-L94 HydrophobicContact CZ-CD1 4.22Å; F90-L94 HydrophobicContact CZ-CD2 4.29Å; F90-L94 HydrophobicContact CZ-CG 4.37Å; F90-L94 WeakPolarHBondContact O-CG 3.4Å; F90-L94 PolarHBondContact O-N 3.21Å; Q91-L94 PolarHBondContact O-N 3.26Å; L94-V96 VanDerWaalsContact C-N 3.29Å; L94-V96 PolarHBondContact O-N 3.15Å; L94-G97 WeakPolarHBondContact O-CA 3.35Å; L94-G97 PolarHBondContact O-N 3.06Å; L94-I100 HydrophobicContact CD2-CD1 3.75Å; L94-I100 HydrophobicContact CD2-CG1 3.65Å
95	K	94.1	Very high	92.4	Very high	163 Å²	163	52.5 Å²	52.5	71%	0.709	26%	0.255	S	S	*	.	H	α-helix	trans	-57.9	-36.2	-179.6	-170.4	168.3	-177	169.5	0	113.2	Q91 K92 G97 H729	Q91-K95 WeakPolarHBondContact O-CB 3.41Å; Q91-K95 PolarHBondContact O-N 3.39Å; K92-K95 PolarHBondContact O-N 2.76Å; K95-G97 VanDerWaalsContact C-N 3.31Å; K95-H729 PolarHBondContact O-NE2 3.19Å
96	V	89.8	Confident	91.1	Very high	47 Å²	47	55.2 Å²	55.2	29%	0.285	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	6.6	174.8	-52.7	0	0	0	0	114.3	P34 V35 L47 K92 C93 L94	P34-V96 HydrophobicContact CB-CB 4.36Å; P34-V96 HydrophobicContact CB-CG1 4.18Å; P34-V96 HydrophobicContact CG-CB 4.36Å; P34-V96 HydrophobicContact CG-CG2 4.27Å; V35-V96 HydrophobicContact CG2-CG2 3.6Å; L47-V96 HydrophobicContact CD1-CB 4.42Å; L47-V96 HydrophobicContact CD1-CG2 3.82Å; L47-V96 WeakPolarHBondContact CD2-O 3.47Å; K92-V96 WeakPolarHBondContact O-CG1 3.39Å; K92-V96 WeakPolarHBondContact O-CG2 3.42Å; K92-V96 PolarHBondContact O-N 3.29Å; K92-V96 VanDerWaalsContact O-N 3.09Å; C93-V96 WeakPolarHBondContact O-CG2 3.47Å; L94-V96 VanDerWaalsContact C-N 3.29Å; L94-V96 PolarHBondContact O-N 3.15Å
97	G	88.1	Confident	89.9	Confident	16 Å²	16	60.5 Å²	60.5	17%	0.165	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	94	21.3	172.7	0	0	0	0	0	116.3	L47 C93 L94 K95 K99	L47-G97 VanDerWaalsContact CD2-O 3.27Å; L47-G97 WeakPolarHBondContact CD2-O 3.42Å; C93-G97 PolarHBondContact O-N 3.38Å; L94-G97 WeakPolarHBondContact O-CA 3.35Å; L94-G97 PolarHBondContact O-N 3.06Å; K95-G97 VanDerWaalsContact C-N 3.31Å; G97-K99 PolarHBondContact O-N 3.35Å
98	M	93.3	Very high	88.4	Confident	4 Å²	4	66 Å²	66	2%	0.02	31%	0.31	C	S	.	.			trans	-71.2	118	171.2	-62.9	-167	82.3	0	0	110	V35 Y45 L47 T49 F57 C93	V35-M98 HydrophobicContact CG2-SD 4.23Å; Y45-M98 HydrophobicContact CD2-CE 3.96Å; Y45-M98 CarbonylContact O-C 3.6Å; Y45-M98 WeakPolarHBondContact O-CA 3.42Å; L47-M98 HydrophobicContact CD2-CB 4.31Å; L47-M98 HydrophobicContact CD2-CG 3.63Å; L47-M98 HydrophobicContact CG-CG 4.35Å; T49-M98 HydrophobicContact CG2-CE 4.39Å; T49-M98 HydrophobicContact CG2-SD 4.29Å; F57-M98 HydrophobicContact CB-CE 3.84Å; F57-M98 HydrophobicContact CB-SD 4.15Å; F57-M98 HydrophobicContact CD1-CB 4.31Å; F57-M98 HydrophobicContact CD1-CE 4.16Å; F57-M98 HydrophobicContact CD2-CB 3.79Å; F57-M98 HydrophobicContact CD2-CE 4.49Å; F57-M98 HydrophobicContact CD2-SD 4.11Å; F57-M98 HydrophobicContact CE1-CB 4.06Å; F57-M98 HydrophobicContact CE2-CB 3.51Å; F57-M98 HydrophobicContact CG-CB 4.19Å; F57-M98 HydrophobicContact CG-CE 3.91Å; F57-M98 HydrophobicContact CG-SD 4.1Å; F57-M98 HydrophobicContact CZ-CB 3.66Å; F57-M98 VanDerWaalsContact CZ-O 3.22Å; F57-M98 WeakPolarHBondContact CZ-O 3.4Å; C93-M98 HydrophobicContact CB-CB 4.18Å; C93-M98 HydrophobicContact CB-CG 4.14Å; C93-M98 HydrophobicContact CB-SD 3.7Å; C93-M98 VanDerWaalsContact O-CB 3.25Å; C93-M98 WeakPolarHBondContact O-CB 3.41Å; C93-M98 WeakPolarHBondContact O-CG 3.39Å; C93-M98 PolarHBondContact O-N 3.04Å
99	K	88.6	Confident	87	Confident	39 Å²	39	78.1 Å²	78.1	17%	0.17	36%	0.355	C	S	.	.			trans	-85.9	117.2	-169.7	-80.8	176.3	163.7	-77.5	0	112.3	Y45 F57 G97 E101 A102 M118	Y45-K99 PolarHBondContact O-N 3.05Å; F57-K99 WeakPolarHBondContact CE1-O 3.39Å; G97-K99 PolarHBondContact O-N 3.35Å; K99-E101 VanDerWaalsContact C-N 3.29Å; K99-E101 WeakPolarHBondContact CA-OE2 2.92Å; K99-E101 HydrophobicContact CB-CG 4.48Å; K99-E101 VanDerWaalsContact CB-OE2 3.28Å; K99-E101 WeakPolarHBondContact CB-OE2 3.49Å; K99-E101 VanDerWaalsContact CD-OE1 3.28Å; K99-E101 WeakPolarHBondContact CD-OE1 3.35Å; K99-E101 VanDerWaalsContact CG-OE1 3.26Å; K99-E101 WeakPolarHBondContact CG-OE1 3.43Å; K99-E101 IonicContact NZ-OE1 3.95Å; K99-E101 PolarHBondContact NZ-OE1 3.36Å; K99-E101 PolarHBondContact O-N 3.18Å; K99-A102 HydrophobicContact CB-CB 4Å; K99-A102 WeakPolarHBondContact O-CB 3.45Å; K99-A102 PolarHBondContact O-N 2.82Å; K99-M118 HydrophobicContact CD-CE 4.14Å; K99-M118 HydrophobicContact CD-SD 4.31Å
100	I	91.8	Very high	85.1	Confident	83 Å²	83	80.3 Å²	80.3	43%	0.426	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-62.4	-40.8	177.9	-61.6	179.9	0	0	0	109.9	F57 V61 L94 A102 V103	F57-I100 HydrophobicContact CZ-CG1 4.05Å; V61-I100 HydrophobicContact CG1-CG2 3.74Å; V61-I100 HydrophobicContact CG2-CG1 4.32Å; V61-I100 HydrophobicContact CG2-CG2 4.14Å; L94-I100 HydrophobicContact CD2-CD1 3.75Å; L94-I100 HydrophobicContact CD2-CG1 3.65Å; I100-A102 PolarHBondContact O-N 2.96Å; I100-A102 VanDerWaalsContact O-N 3.16Å; I100-V103 WeakPolarHBondContact O-CB 3.47Å; I100-V103 PolarHBondContact O-N 3.04Å
101	E	86.6	Confident	83.1	Confident	95 Å²	95	81.8 Å²	81.8	44%	0.444	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-63.9	-17.9	179.1	73.9	-81.2	-161.1	0	0	113.8	K99 V103 F115	K99-E101 VanDerWaalsContact C-N 3.29Å; K99-E101 WeakPolarHBondContact CA-OE2 2.92Å; K99-E101 HydrophobicContact CB-CG 4.48Å; K99-E101 VanDerWaalsContact CB-OE2 3.28Å; K99-E101 WeakPolarHBondContact CB-OE2 3.49Å; K99-E101 VanDerWaalsContact CD-OE1 3.28Å; K99-E101 WeakPolarHBondContact CD-OE1 3.35Å; K99-E101 VanDerWaalsContact CG-OE1 3.26Å; K99-E101 WeakPolarHBondContact CG-OE1 3.43Å; K99-E101 IonicContact NZ-OE1 3.95Å; K99-E101 PolarHBondContact NZ-OE1 3.36Å; K99-E101 PolarHBondContact O-N 3.18Å; E101-V103 PolarHBondContact O-N 3.45Å; E101-F115 HydrophobicContact CB-CZ 4.15Å; E101-F115 HydrophobicContact CG-CE1 3.99Å; E101-F115 HydrophobicContact CG-CE2 4.44Å; E101-F115 HydrophobicContact CG-CZ 3.69Å; E101-F115 WeakPolarHBondContact O-CE2 3.45Å
102	A	86.2	Confident	81.2	Confident	17 Å²	17	88.8 Å²	88.8	14%	0.14	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-76.8	-9.8	172.8	0	0	0	0	0	113.5	Y45 K99 I100 Y119	Y45-A102 HydrophobicContact CD1-CB 3.93Å; K99-A102 HydrophobicContact CB-CB 4Å; K99-A102 WeakPolarHBondContact O-CB 3.45Å; K99-A102 PolarHBondContact O-N 2.82Å; I100-A102 PolarHBondContact O-N 2.96Å; I100-A102 VanDerWaalsContact O-N 3.16Å; A102-Y119 WeakPolarHBondContact CB-OH 3.36Å
103	V	88.2	Confident	79.6	Confident	12 Å²	12	89.6 Å²	89.6	7%	0.073	44%	0.438	C	S	.	.	S	Bend	trans	-98.8	111.7	179.3	-173.1	0	0	0	0	109.6	Y45 F57 K58 V61 Q62 I100 E101	Y45-V103 HydrophobicContact CD1-CG2 3.65Å; Y45-V103 HydrophobicContact CE1-CG2 3.82Å; Y45-V103 HydrophobicContact CG-CG2 4.2Å; F57-V103 HydrophobicContact CD1-CG2 3.89Å; F57-V103 HydrophobicContact CE1-CG2 3.69Å; K58-V103 HydrophobicContact CG-CG1 4.45Å; V61-V103 HydrophobicContact CB-CB 4.14Å; V61-V103 HydrophobicContact CB-CG1 4.03Å; V61-V103 HydrophobicContact CB-CG2 4.14Å; V61-V103 HydrophobicContact CG1-CB 3.76Å; V61-V103 HydrophobicContact CG1-CG1 3.9Å; V61-V103 HydrophobicContact CG1-CG2 4.21Å; V61-V103 HydrophobicContact CG2-CG2 4.3Å; Q62-V103 HydrophobicContact CG-CG1 3.4Å; I100-V103 WeakPolarHBondContact O-CB 3.47Å; I100-V103 PolarHBondContact O-N 3.04Å; E101-V103 PolarHBondContact O-N 3.45Å
104	R	82	Confident	78.1	Confident	122 Å²	122	98.9 Å²	98.9	46%	0.46	48%	0.479	S	S	.	.			trans	-66.8	133.9	177.5	-52.1	177.8	68.4	110.6	6.6	110.9	Q62 D106	Q62-R104 PolarHBondContact NE2-O 3.46Å; R104-D106 VanDerWaalsContact CB-OD1 3.3Å; R104-D106 WeakPolarHBondContact CB-OD1 3.15Å; R104-D106 IonicContact CZ-OD2 2.61Å; R104-D106 IonicContact NE-OD1 3.69Å; R104-D106 PolarHBondContact NE-OD1 3.49Å; R104-D106 IonicContact NE-OD2 2.68Å; R104-D106 PolarHBondContact NE-OD2 3.28Å; R104-D106 IonicContact NH2-OD2 3.57Å; R104-D106 PolarHBondContact NH2-OD2 3.11Å
105	E	77.7	Confident	76.7	Confident	140 Å²	140	99.5 Å²	99.5	65%	0.654	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-32.4	172.4	-69.2	-165.1	113.8	0	0	112.5	K64 R107	K64-E105 WeakPolarHBondContact CE-OE1 3.43Å; K64-E105 IonicContact NZ-OE1 3.89Å; K64-E105 PolarHBondContact NZ-OE1 3.31Å; E105-R107 PolarHBondContact O-N 2.71Å
106	D	70.1	Confident	75.5	Confident	68 Å²	68	92.8 Å²	92.8	36%	0.364	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.4	-173.1	61.3	27.2	0	0	0	116.2	R104 M108	R104-D106 VanDerWaalsContact CB-OD1 3.3Å; R104-D106 WeakPolarHBondContact CB-OD1 3.15Å; R104-D106 IonicContact CZ-OD2 2.61Å; R104-D106 IonicContact NE-OD1 3.69Å; R104-D106 PolarHBondContact NE-OD1 3.49Å; R104-D106 IonicContact NE-OD2 2.68Å; R104-D106 PolarHBondContact NE-OD2 3.28Å; R104-D106 IonicContact NH2-OD2 3.57Å; R104-D106 PolarHBondContact NH2-OD2 3.11Å; D106-M108 HydrophobicContact CB-CG 4.14Å; D106-M108 PolarHBondContact O-N 3.31Å; D106-M108 PolarHBondContact OD1-N 2.71Å
107	R	71.5	Confident	74.7	Confident	155 Å²	155	94.7 Å²	94.7	59%	0.585	47%	0.472	S	S	*	.			trans	56	4.8	-173.4	-60.2	-179.3	176.8	-167.4	-5.8	115.3	Q62 N63 E105	Q62-R107 PolarHBondContact O-NH2 2.93Å; Q62-R107 VanDerWaalsContact O-NH2 3.1Å; N63-R107 PolarHBondContact OD1-NH2 3.47Å; E105-R107 PolarHBondContact O-N 2.71Å
108	M	67.1	Low	73.9	Confident	145 Å²	145	96.7 Å²	96.7	71%	0.714	48%	0.478	S	S	*	.			trans	-70.5	150.1	-172.9	-68.3	-170.8	178.4	0	0	112.2	D106	D106-M108 HydrophobicContact CB-CG 4.14Å; D106-M108 PolarHBondContact O-N 3.31Å; D106-M108 PolarHBondContact OD1-N 2.71Å
109	R	68.5	Low	72.9	Confident	259 Å²	259	98.3 Å²	98.3	98%	0.977	48%	0.484	S	S	*	.	S	Bend	trans	-104	88.7	-172.8	-169.7	-177.1	-176.3	-169	0.5	111.4
110	G	58.4	Low	72.2	Confident	61 Å²	61	104.6 Å²	104.6	63%	0.629	51%	0.511	S	S	*	.			trans	126.9	166	174.1	0	0	0	0	0	113.1
111	G	57	Low	71.5	Confident	70 Å²	70	108.3 Å²	108.3	72%	0.722	52%	0.52	S	S	*	.			trans	118.5	144.7	179.9	0	0	0	0	0	113.6	N113	G111-N113 PolarHBondContact O-N 3.03Å
112	R	57.2	Low	70.6	Confident	244 Å²	244	105 Å²	105	92%	0.921	51%	0.505	S	S	*	.			trans	-60.9	132.1	179	-124.5	172.8	-170.7	148.8	2.7	109.8
113	N	62.3	Low	69.9	Low	87 Å²	87	111.7 Å²	111.7	47%	0.465	53%	0.527	S	S	.	.			trans	-78.6	128.8	178.5	48.1	1.9	0	0	0	110.5	G111 F115 G116 Y119	G111-N113 PolarHBondContact O-N 3.03Å; N113-F115 PolarHBondContact O-N 3.45Å; N113-F115 VanDerWaalsContact O-N 3.16Å; N113-G116 PolarHBondContact O-N 2.95Å; N113-G116 VanDerWaalsContact OD1-CA 3.28Å; N113-G116 WeakPolarHBondContact OD1-CA 3.07Å; N113-Y119 WeakPolarHBondContact ND2-CD2 3.43Å
114	K	65.8	Low	69.3	Low	195 Å²	195	113.5 Å²	113.5	85%	0.848	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.2	176	-168	179.1	-178.4	-177.9	0	112	G116	K114-G116 VanDerWaalsContact C-N 3.27Å; K114-G116 PolarHBondContact O-N 3.26Å
115	F	66.9	Low	68.9	Low	67 Å²	67	111.6 Å²	111.6	29%	0.294	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	6	175.4	-51.3	-76.7	0	0	0	114.5	E101 N113 S117 M118 Y119	E101-F115 HydrophobicContact CB-CZ 4.15Å; E101-F115 HydrophobicContact CG-CE1 3.99Å; E101-F115 HydrophobicContact CG-CE2 4.44Å; E101-F115 HydrophobicContact CG-CZ 3.69Å; E101-F115 WeakPolarHBondContact O-CE2 3.45Å; N113-F115 PolarHBondContact O-N 3.45Å; N113-F115 VanDerWaalsContact O-N 3.16Å; F115-S117 VanDerWaalsContact C-N 3.28Å; F115-S117 PolarHBondContact O-N 3.46Å; F115-M118 WeakPolarHBondContact O-CA 3.38Å; F115-M118 WeakPolarHBondContact O-CB 3.34Å; F115-M118 PolarHBondContact O-N 3.44Å; F115-Y119 HydrophobicContact CB-CD2 4.18Å; F115-Y119 HydrophobicContact CB-CE2 3.58Å; F115-Y119 VanDerWaalsContact O-CD2 3.22Å; F115-Y119 WeakPolarHBondContact O-CD2 3.27Å; F115-Y119 PolarHBondContact O-N 2.87Å
116	G	68.5	Low	68.5	Low	23 Å²	23	108.4 Å²	108.4	24%	0.237	52%	0.518	C	S	.	.	H	α-helix	trans	-57.5	-37.3	-177.1	0	0	0	0	0	113.7	N113 K114 K120	N113-G116 PolarHBondContact O-N 2.95Å; N113-G116 VanDerWaalsContact OD1-CA 3.28Å; N113-G116 WeakPolarHBondContact OD1-CA 3.07Å; K114-G116 VanDerWaalsContact C-N 3.27Å; K114-G116 PolarHBondContact O-N 3.26Å; G116-K120 WeakPolarHBondContact O-CB 3.12Å; G116-K120 PolarHBondContact O-N 3.47Å
117	S	72.2	Confident	68.5	Low	87 Å²	87	110.2 Å²	110.2	61%	0.608	53%	0.525	S	S	*	.	H	α-helix	trans	-65.7	-41.2	172.9	52.7	0	0	0	0	112.5	F115 K120 R121	F115-S117 VanDerWaalsContact C-N 3.28Å; F115-S117 PolarHBondContact O-N 3.46Å; S117-K120 PolarHBondContact O-N 2.94Å; S117-R121 WeakPolarHBondContact O-CB 3.24Å; S117-R121 PolarHBondContact O-N 3.44Å
118	M	72.8	Confident	68.7	Low	58 Å²	58	107.4 Å²	107.4	29%	0.286	52%	0.519	S	S	.	.	H	α-helix	trans	-60.7	-49.5	174.6	-173.4	-147.9	158.1	0	0	110.7	K99 F115 K120 R121 D122	K99-M118 HydrophobicContact CD-CE 4.14Å; K99-M118 HydrophobicContact CD-SD 4.31Å; F115-M118 WeakPolarHBondContact O-CA 3.38Å; F115-M118 WeakPolarHBondContact O-CB 3.34Å; F115-M118 PolarHBondContact O-N 3.44Å; M118-K120 VanDerWaalsContact C-N 3.32Å; M118-K120 PolarHBondContact O-N 3.4Å; M118-R121 PolarHBondContact O-N 2.57Å; M118-D122 WeakPolarHBondContact O-CB 3.41Å; M118-D122 PolarHBondContact O-N 2.97Å
119	Y	71.6	Confident	68.6	Low	37 Å²	37	102.7 Å²	102.7	15%	0.145	50%	0.503	C	S	.	.	H	α-helix	trans	-63.3	-37.2	179	-59.6	-48.6	0	0	0	112.7	Y43 A102 N113 F115 R123	Y43-Y119 HydrophobicContact CD1-CD1 4.1Å; Y43-Y119 HydrophobicContact CE1-CD1 4.36Å; A102-Y119 WeakPolarHBondContact CB-OH 3.36Å; N113-Y119 WeakPolarHBondContact ND2-CD2 3.43Å; F115-Y119 HydrophobicContact CB-CD2 4.18Å; F115-Y119 HydrophobicContact CB-CE2 3.58Å; F115-Y119 VanDerWaalsContact O-CD2 3.22Å; F115-Y119 WeakPolarHBondContact O-CD2 3.27Å; F115-Y119 PolarHBondContact O-N 2.87Å; Y119-R123 WeakPolarHBondContact O-CB 3.48Å; Y119-R123 PolarHBondContact O-N 2.77Å
120	K	73	Confident	68.2	Low	172 Å²	172	92.2 Å²	92.2	75%	0.748	46%	0.464	S	S	*	.	H	α-helix	trans	-64	-42	175.9	-144.6	-178.4	-173.9	-167.3	0	111.1	G116 S117 M118 A124	G116-K120 WeakPolarHBondContact O-CB 3.12Å; G116-K120 PolarHBondContact O-N 3.47Å; S117-K120 PolarHBondContact O-N 2.94Å; M118-K120 VanDerWaalsContact C-N 3.32Å; M118-K120 PolarHBondContact O-N 3.4Å; K120-A124 WeakPolarHBondContact O-CB 3.24Å; K120-A124 PolarHBondContact O-N 2.97Å; K120-A124 VanDerWaalsContact O-N 3.08Å
121	R	77.5	Confident	68.6	Low	161 Å²	161	96.2 Å²	96.2	61%	0.608	47%	0.466	S	S	*	.	H	α-helix	trans	-72.4	-43.2	179.7	-170.2	-178.6	-72.1	162.8	-6.7	113.2	S117 M118 A124 R125	S117-R121 WeakPolarHBondContact O-CB 3.24Å; S117-R121 PolarHBondContact O-N 3.44Å; M118-R121 PolarHBondContact O-N 2.57Å; R121-A124 PolarHBondContact O-N 2.85Å; R121-R125 WeakPolarHBondContact O-CB 3.48Å; R121-R125 PolarHBondContact O-N 3.03Å
122	D	69.1	Low	68.9	Low	25 Å²	25	103.2 Å²	103.2	13%	0.134	47%	0.471	C	S	.	.	H	α-helix	trans	-66.1	-43.6	176.6	-178.7	35.8	0	0	0	111.2	Y43 M118 A124 R125 R126	Y43-D122 WeakPolarHBondContact CE1-OD2 3.22Å; Y43-D122 PolarHBondContact OH-OD2 2.88Å; M118-D122 WeakPolarHBondContact O-CB 3.41Å; M118-D122 PolarHBondContact O-N 2.97Å; D122-A124 PolarHBondContact O-N 3.48Å; D122-R125 PolarHBondContact O-N 2.67Å; D122-R126 WeakPolarHBondContact O-CG 3.31Å; D122-R126 PolarHBondContact O-N 2.82Å; D122-R126 IonicContact OD1-CZ 2.9Å; D122-R126 IonicContact OD1-NE 2.67Å; D122-R126 PolarHBondContact OD1-NE 3.49Å; D122-R126 IonicContact OD1-NH2 2.67Å; D122-R126 PolarHBondContact OD1-NH2 3Å; D122-R126 IonicContact OD2-CZ 2.65Å; D122-R126 IonicContact OD2-NE 2.67Å; D122-R126 PolarHBondContact OD2-NE 2.92Å; D122-R126 IonicContact OD2-NH2 3.17Å; D122-R126 PolarHBondContact OD2-NH2 2.94Å
123	R	70.6	Confident	69.2	Low	158 Å²	158	96.4 Å²	96.4	60%	0.596	45%	0.452	S	S	*	.	H	α-helix	trans	-61	-44.1	174.4	-171.7	177.2	-173.9	179.6	1.4	112.4	Y43 Y119 R126 M127	Y43-R123 HydrophobicContact CE2-CB 4.18Å; Y43-R123 HydrophobicContact CE2-CG 4.33Å; Y119-R123 WeakPolarHBondContact O-CB 3.48Å; Y119-R123 PolarHBondContact O-N 2.77Å; R123-R126 PolarHBondContact O-N 3.03Å; R123-M127 WeakPolarHBondContact O-CB 3.47Å; R123-M127 PolarHBondContact O-N 2.77Å
124	A	75.2	Confident	68.4	Low	49 Å²	49	95.6 Å²	95.6	41%	0.405	46%	0.464	S	S	.	.	H	α-helix	trans	-62.1	-43.8	175.7	0	0	0	0	0	111.9	K120 R121 D122 R126 M127 Q128	K120-A124 WeakPolarHBondContact O-CB 3.24Å; K120-A124 PolarHBondContact O-N 2.97Å; K120-A124 VanDerWaalsContact O-N 3.08Å; R121-A124 PolarHBondContact O-N 2.85Å; D122-A124 PolarHBondContact O-N 3.48Å; A124-R126 PolarHBondContact O-N 2.94Å; A124-M127 PolarHBondContact O-N 3.22Å; A124-Q128 WeakPolarHBondContact O-CG 3.37Å; A124-Q128 PolarHBondContact O-N 2.73Å
125	R	74.4	Confident	67.6	Low	82 Å²	82	90.8 Å²	90.8	31%	0.309	45%	0.446	S	S	.	.	H	α-helix	trans	-63.8	-39.6	178.4	-171.7	-178.6	-70.4	-166	-1	112.5	R121 D122 Q128 A129	R121-R125 WeakPolarHBondContact O-CB 3.48Å; R121-R125 PolarHBondContact O-N 3.03Å; D122-R125 PolarHBondContact O-N 2.67Å; R125-Q128 PolarHBondContact O-N 2.94Å; R125-A129 PolarHBondContact O-N 3.26Å
126	R	69.8	Low	66.1	Low	74 Å²	74	90.8 Å²	90.8	28%	0.279	47%	0.465	S	S	.	.	H	α-helix	trans	-68.4	-39.2	175.5	-67.1	-175	-159	-157.5	15.1	112.2	Y43 G46 D122 R123 A124 Q128 A129 Y130	Y43-R126 WeakPolarHBondContact OH-CD 3.5Å; Y43-R126 VanDerWaalsContact OH-CZ 3.26Å; Y43-R126 PolarHBondContact OH-NE 3.37Å; Y43-R126 PolarHBondContact OH-NH2 2.95Å; G46-R126 PolarHBondContact O-NH2 2.79Å; D122-R126 WeakPolarHBondContact O-CG 3.31Å; D122-R126 PolarHBondContact O-N 2.82Å; D122-R126 IonicContact OD1-CZ 2.9Å; D122-R126 IonicContact OD1-NE 2.67Å; D122-R126 PolarHBondContact OD1-NE 3.49Å; D122-R126 IonicContact OD1-NH2 2.67Å; D122-R126 PolarHBondContact OD1-NH2 3Å; D122-R126 IonicContact OD2-CZ 2.65Å; D122-R126 IonicContact OD2-NE 2.67Å; D122-R126 PolarHBondContact OD2-NE 2.92Å; D122-R126 IonicContact OD2-NH2 3.17Å; D122-R126 PolarHBondContact OD2-NH2 2.94Å; R123-R126 PolarHBondContact O-N 3.03Å; A124-R126 PolarHBondContact O-N 2.94Å; R126-Q128 PolarHBondContact O-N 2.89Å; R126-A129 WeakPolarHBondContact O-CB 3.27Å; R126-A129 PolarHBondContact O-N 3.21Å; R126-Y130 PolarHBondContact O-N 3.04Å
127	M	69.6	Low	64.8	Low	105 Å²	105	95.9 Å²	95.9	52%	0.517	49%	0.492	S	S	.	.	H	α-helix	trans	-62.5	-40.4	174	-174.3	166.7	-83.8	0	0	112.1	R123 A124 Y130 Q131	R123-M127 WeakPolarHBondContact O-CB 3.47Å; R123-M127 PolarHBondContact O-N 2.77Å; A124-M127 PolarHBondContact O-N 3.22Å; M127-Y130 WeakPolarHBondContact O-CB 3.4Å; M127-Y130 PolarHBondContact O-N 3.41Å; M127-Q131 WeakPolarHBondContact O-CG 3.41Å; M127-Q131 PolarHBondContact O-N 3.09Å
128	Q	74.3	Confident	63	Low	96 Å²	96	100.4 Å²	100.4	45%	0.449	51%	0.505	S	S	.	.	H	α-helix	trans	-64.9	-39.8	171.6	-74	174.6	-25.1	0	0	112.8	A124 R125 R126 Y130 Q131 R132	A124-Q128 WeakPolarHBondContact O-CG 3.37Å; A124-Q128 PolarHBondContact O-N 2.73Å; R125-Q128 PolarHBondContact O-N 2.94Å; R126-Q128 PolarHBondContact O-N 2.89Å; Q128-Y130 VanDerWaalsContact C-N 3.29Å; Q128-Y130 PolarHBondContact O-N 3.49Å; Q128-Q131 PolarHBondContact O-N 3.42Å; Q128-R132 PolarHBondContact O-N 2.88Å
129	A	66.5	Low	60.9	Low	47 Å²	47	106.5 Å²	106.5	39%	0.388	53%	0.533	S	S	.	.	H	α-helix	trans	-63	-38.4	174.2	0	0	0	0	0	111.5	R125 R126 R132 L133	R125-A129 PolarHBondContact O-N 3.26Å; R126-A129 WeakPolarHBondContact O-CB 3.27Å; R126-A129 PolarHBondContact O-N 3.21Å; A129-R132 PolarHBondContact O-N 3.05Å; A129-L133 WeakPolarHBondContact O-CD1 3.38Å; A129-L133 VanDerWaalsContact O-CG 3.31Å; A129-L133 WeakPolarHBondContact O-CG 3.45Å; A129-L133 PolarHBondContact O-N 2.95Å
130	Y	59.8	Low	58.9	Low	38 Å²	38	110.2 Å²	110.2	15%	0.149	56%	0.56	C	S	.	*	H	α-helix	trans	-62.1	-47.6	175.3	-130.5	-88.5	0	0	0	112.6	L29 E30 R126 M127 Q128 R132 L133 M135	L29-Y130 HydrophobicContact CB-CE2 3.57Å; L29-Y130 WeakPolarHBondContact CB-OH 3.38Å; L29-Y130 HydrophobicContact CD1-CE2 4.49Å; L29-Y130 HydrophobicContact CD2-CD2 4.06Å; L29-Y130 HydrophobicContact CD2-CE2 3.78Å; L29-Y130 HydrophobicContact CG-CE2 4.12Å; E30-Y130 HydrophobicContact CB-CE2 3.92Å; E30-Y130 WeakPolarHBondContact CB-OH 3.43Å; E30-Y130 VanDerWaalsContact CD-CE2 3.41Å; E30-Y130 HydrophobicContact CG-CD2 4.26Å; E30-Y130 HydrophobicContact CG-CE2 3.53Å; E30-Y130 PolarHBondContact N-OH 3.45Å; R126-Y130 PolarHBondContact O-N 3.04Å; M127-Y130 WeakPolarHBondContact O-CB 3.4Å; M127-Y130 PolarHBondContact O-N 3.41Å; Q128-Y130 VanDerWaalsContact C-N 3.29Å; Q128-Y130 PolarHBondContact O-N 3.49Å; Y130-R132 VanDerWaalsContact C-N 3.28Å; Y130-R132 PolarHBondContact O-N 3.16Å; Y130-L133 PolarHBondContact O-N 2.91Å; Y130-M135 HydrophobicContact CD1-CB 4.21Å; Y130-M135 HydrophobicContact CE1-CB 3.82Å; Y130-M135 HydrophobicContact CE1-SD 4.33Å
131	Q	65.6	Low	56.7	Low	145 Å²	145	105 Å²	105	68%	0.678	56%	0.555	S	S	*	*	H	α-helix	trans	-59.1	-38.9	175.6	-71.5	168.1	-19.3	0	0	111.9	M127 Q128 L133	M127-Q131 WeakPolarHBondContact O-CG 3.41Å; M127-Q131 PolarHBondContact O-N 3.09Å; Q128-Q131 PolarHBondContact O-N 3.42Å; Q131-L133 VanDerWaalsContact C-N 3.28Å; Q131-L133 PolarHBondContact O-N 3.37Å
132	R	64.3	Low	54.4	Low	217 Å²	217	105.5 Å²	105.5	82%	0.819	56%	0.564	S	S	*	*	H	α-helix	trans	-70.3	-17.4	175.1	-78	-171.5	171.2	-157.3	-3.3	114.7	Q128 A129 Y130	Q128-R132 PolarHBondContact O-N 2.88Å; A129-R132 PolarHBondContact O-N 3.05Å; Y130-R132 VanDerWaalsContact C-N 3.28Å; Y130-R132 PolarHBondContact O-N 3.16Å
133	L	63.6	Low	52.5	Low	102 Å²	102	112.8 Å²	112.8	53%	0.534	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.8	11.6	-178	-73.1	162.2	0	0	0	113.2	L29 A129 Y130 Q131 M135	L29-L133 HydrophobicContact CD1-CB 4.28Å; L29-L133 HydrophobicContact CD1-CD1 3.81Å; L29-L133 HydrophobicContact CD2-CD1 3.93Å; L29-L133 HydrophobicContact CG-CD1 4.49Å; A129-L133 WeakPolarHBondContact O-CD1 3.38Å; A129-L133 VanDerWaalsContact O-CG 3.31Å; A129-L133 WeakPolarHBondContact O-CG 3.45Å; A129-L133 PolarHBondContact O-N 2.95Å; Y130-L133 PolarHBondContact O-N 2.91Å; Q131-L133 VanDerWaalsContact C-N 3.28Å; Q131-L133 PolarHBondContact O-N 3.37Å; L133-M135 PolarHBondContact O-N 3.25Å
134	G	45.7	Very low	50.5	Low	69 Å²	69	109.8 Å²	109.8	71%	0.711	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.2	0.1	168.6	0	0	0	0	0	115.7	G136	G134-G136 VanDerWaalsContact C-N 3.26Å; G134-G136 PolarHBondContact O-N 3.24Å
135	M	48.6	Very low	48.1	Very low	94 Å²	94	117 Å²	117	46%	0.463	63%	0.628	S	S	.	*			trans	-75.6	81.2	174.7	-65.1	-167.2	75.9	0	0	109.6	T27 L29 Y130 L133	T27-M135 HydrophobicContact CG2-SD 3.96Å; L29-M135 HydrophobicContact CB-SD 4.42Å; L29-M135 HydrophobicContact CD1-SD 3.85Å; Y130-M135 HydrophobicContact CD1-CB 4.21Å; Y130-M135 HydrophobicContact CE1-CB 3.82Å; Y130-M135 HydrophobicContact CE1-SD 4.33Å; L133-M135 PolarHBondContact O-N 3.25Å
136	G	35.9	Very low	45.9	Very low	68 Å²	68	118 Å²	118	70%	0.701	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-52.7	143.3	173.9	0	0	0	0	0	111.6	G134 M138	G134-G136 VanDerWaalsContact C-N 3.26Å; G134-G136 PolarHBondContact O-N 3.24Å; G136-M138 PolarHBondContact O-N 2.93Å
137	T	40.3	Very low	43.9	Very low	130 Å²	130	117 Å²	117	80%	0.798	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-54.1	135.7	172.7	45	0	0	0	0	110.3	E139	T137-E139 PolarHBondContact O-N 3.47Å; T137-E139 VanDerWaalsContact O-N 3.15Å
138	M	34.3	Very low	42.1	Very low	181 Å²	181	120.3 Å²	120.3	89%	0.892	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-54.8	123.9	160.5	-67.2	-173.8	77.1	0	0	108	G136 T140	G136-M138 PolarHBondContact O-N 2.93Å; M138-T140 PolarHBondContact O-N 2.82Å
139	E	29.2	Very low	39.9	Very low	187 Å²	187	119.2 Å²	119.2	87%	0.874	70%	0.7	S	S	*	*			trans	-63.7	108.4	175.9	-66.5	-175	123.6	0	0	109.1	T137 G141	T137-E139 PolarHBondContact O-N 3.47Å; T137-E139 VanDerWaalsContact O-N 3.15Å; E139-G141 VanDerWaalsContact C-N 3.27Å; E139-G141 PolarHBondContact O-N 2.81Å
140	T	29.6	Very low	38.1	Very low	114 Å²	114	124.6 Å²	124.6	70%	0.699	72%	0.722	S	S	*	*			trans	-67.5	96.7	157.6	46.6	0	0	0	0	106.6	M138 H142	M138-T140 PolarHBondContact O-N 2.82Å; T140-H142 VanDerWaalsContact C-N 3.27Å; T140-H142 PolarHBondContact O-N 2.66Å
141	G	27.1	Very low	36.9	Very low	63 Å²	63	130.5 Å²	130.5	65%	0.649	75%	0.75	S	S	*	*			trans	-61.2	79.8	-174.4	0	0	0	0	0	113.4	E139 H143	E139-G141 VanDerWaalsContact C-N 3.27Å; E139-G141 PolarHBondContact O-N 2.81Å; G141-H143 VanDerWaalsContact C-N 3.32Å; G141-H143 PolarHBondContact O-N 2.88Å
142	H	28.1	Very low	35	Very low	171 Å²	171	131.7 Å²	131.7	79%	0.792	76%	0.756	S	S	*	*			trans	-70.4	91.8	163.6	-69.5	142.8	0	0	0	108.2	T140 A144	T140-H142 VanDerWaalsContact C-N 3.27Å; T140-H142 PolarHBondContact O-N 2.66Å; H142-A144 VanDerWaalsContact C-N 3.31Å; H142-A144 PolarHBondContact O-N 2.98Å
143	H	30.4	Very low	33.6	Very low	179 Å²	179	130.1 Å²	130.1	83%	0.829	76%	0.758	S	S	*	*			trans	-58.9	97	164.4	-84.3	-88.7	0	0	0	109.1	G141 F145	G141-H143 VanDerWaalsContact C-N 3.32Å; G141-H143 PolarHBondContact O-N 2.88Å; H143-F145 PolarHBondContact O-N 3.15Å
144	A	27.2	Very low	32	Very low	94 Å²	94	131.7 Å²	131.7	78%	0.777	77%	0.767	S	S	*	*			trans	-69.9	91.8	173.9	0	0	0	0	0	109.3	H142 A146	H142-A144 VanDerWaalsContact C-N 3.31Å; H142-A144 PolarHBondContact O-N 2.98Å; A144-A146 PolarHBondContact O-N 3.06Å
145	F	26	Very low	31.2	Very low	202 Å²	202	135.7 Å²	135.7	89%	0.886	77%	0.767	S	S	*	*			trans	-74.4	76.7	174.5	-126.6	-79.8	0	0	0	110.1	H143	H143-F145 PolarHBondContact O-N 3.15Å
146	A	27.1	Very low	30.4	Very low	102 Å²	102	138.4 Å²	138.4	84%	0.843	78%	0.782	S	S	*	*			trans	-103.4	89.4	172.4	0	0	0	0	0	108.6	A144	A144-A146 PolarHBondContact O-N 3.06Å
147	G	28.1	Very low	30	Very low	52 Å²	52	141.1 Å²	141.1	54%	0.536	78%	0.784	S	S	.	*			trans	-165	41.5	-163.9	0	0	0	0	0	116.3
148	N	33.1	Very low	29.4	Very low	176 Å²	176	139.8 Å²	139.8	94%	0.941	78%	0.78	S	S	*	*			trans	166.3	136.7	139.9	-84.6	-19.8	0	0	0	109.3
149	G	26.5	Very low	29	Very low	72 Å²	72	136.3 Å²	136.3	74%	0.742	77%	0.774	S	S	*	*			trans	-122.4	158.8	178.9	0	0	0	0	0	112.1
150	L	30.2	Very low	29.1	Very low	161 Å²	161	133.2 Å²	133.2	84%	0.843	77%	0.773	S	S	*	*			trans	-159.7	138.9	156.7	-114.6	164.7	0	0	0	111.2
151	H	33.5	Very low	29.2	Very low	162 Å²	162	133.2 Å²	133.2	75%	0.75	78%	0.777	S	S	*	*			trans	45.2	101.8	161.3	-101.3	69.7	0	0	0	120.9
152	Q	26.6	Very low	29.8	Very low	169 Å²	169	135.3 Å²	135.3	79%	0.79	78%	0.78	S	S	*	*			trans	-31.3	128.7	131.4	165.1	-174.4	73.1	0	0	113.8
153	Q	33.7	Very low	29.7	Very low	185 Å²	185	135.6 Å²	135.6	86%	0.864	79%	0.786	S	S	*	*				-159.5	-167.1	113.1	-154.5	133.7	23.3	0	0	110.1
154	N	30.9	Very low	29.7	Very low	135 Å²	135	130.9 Å²	130.9	72%	0.722	79%	0.786	S	S	*	*			trans	-135.4	162.4	-151.9	-160.7	2.1	0	0	0	113.2
155	Q	29.4	Very low	29.9	Very low	152 Å²	152	130 Å²	130	71%	0.71	79%	0.786	S	S	*	*			trans	81.4	150.7	155.1	-82.6	-180	41.8	0	0	123.4
156	I	31.5	Very low	29.9	Very low	151 Å²	151	127.9 Å²	127.9	77%	0.774	78%	0.784	S	S	*	*			trans	84.9	161.3	159.8	-67	150	0	0	0	116.7
157	V	27.4	Very low	30.5	Very low	125 Å²	125	128.9 Å²	128.9	76%	0.758	78%	0.782	S	S	*	*			trans	-134.3	166	-134.3	-67.7	0	0	0	0	115.8
158	S	26.7	Very low	30.6	Very low	102 Å²	102	134 Å²	134	71%	0.713	80%	0.796	S	S	*	*			trans	84.4	99.5	153.4	-58.9	0	0	0	0	120.6
159	S	27.6	Very low	30.7	Very low	109 Å²	109	132.6 Å²	132.6	76%	0.762	79%	0.794	S	S	*	*				50.8	116	128.4	64.1	0	0	0	0	122.2
160	S	31.4	Very low	31.1	Very low	121 Å²	121	133.5 Å²	133.5	85%	0.846	80%	0.795	S	S	*	*				-177.7	137.2	113.7	57.9	0	0	0	0	113.6
161	S	31	Very low	31.2	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	79%	0.788	S	S	*	*			trans	-93.4	-179	156.4	-43.4	0	0	0	0	108.9
162	P	38.7	Very low	31.3	Very low	108 Å²	108	131.9 Å²	131.9	70%	0.701	79%	0.785	S	S	*	*			cis	-145.5	-176.1	4.1	45.1	-26.4	0	0	0	117.7
163	L	27.9	Very low	31.7	Very low	177 Å²	177	129.6 Å²	129.6	93%	0.927	78%	0.783	S	S	*	*			trans	74.6	141	147.4	-79.7	163.9	0	0	0	123
164	G	28.9	Very low	31.7	Very low	80 Å²	80	125.6 Å²	125.6	83%	0.825	78%	0.781	S	S	*	*			trans	109.5	124.1	166.4	0	0	0	0	0	114.7
165	G	31.4	Very low	31.7	Very low	76 Å²	76	122.9 Å²	122.9	78%	0.784	79%	0.785	S	S	*	*			cis	-173.3	165.7	-5.9	0	0	0	0	0	113.6
166	D	26.9	Very low	31.9	Very low	156 Å²	156	122.4 Å²	122.4	83%	0.834	79%	0.793	S	S	*	*			trans	-68.7	176.5	176.6	-70.1	-69.4	0	0	0	113.4
167	P	39.6	Very low	32	Very low	124 Å²	124	121.1 Å²	121.1	81%	0.805	80%	0.796	S	S	*	*			cis	-150.3	-169.9	29.8	45	-22	0	0	0	120.1
168	L	29	Very low	32	Very low	159 Å²	159	120.3 Å²	120.3	83%	0.832	80%	0.802	S	S	*	*			trans	-86.2	165.4	-170.3	-57.1	162.5	0	0	0	115.2
169	T	35.7	Very low	32.2	Very low	147 Å²	147	119 Å²	119	90%	0.902	81%	0.805	S	S	*	*			trans	-124.4	151.4	150.5	51.8	0	0	0	0	110
170	A	34.3	Very low	32.5	Very low	91 Å²	91	124.1 Å²	124.1	75%	0.752	81%	0.813	S	S	*	*			trans	-148.8	160	-165.1	0	0	0	0	0	114
171	D	33	Very low	32.4	Very low	131 Å²	131	126.8 Å²	126.8	70%	0.701	81%	0.814	S	S	*	*			trans	178.9	153.8	162.3	-96.9	-8.2	0	0	0	107.3
172	K	35.8	Very low	32.6	Very low	157 Å²	157	126.7 Å²	126.7	68%	0.683	81%	0.814	S	S	*	*			cis	-164.7	159.9	-10.3	-108.5	174.2	179.5	77.8	0	105.8
173	T	34.8	Very low	32.6	Very low	122 Å²	122	126.9 Å²	126.9	75%	0.748	82%	0.815	S	S	*	*			cis	-153.3	141.1	7.4	-14.4	0	0	0	0	110.9
174	A	33.4	Very low	32.7	Very low	101 Å²	101	127.2 Å²	127.2	84%	0.835	81%	0.81	S	S	*	*			trans	46.9	136.7	131.6	0	0	0	0	0	123.9
175	G	31.7	Very low	32.5	Very low	78 Å²	78	133.8 Å²	133.8	80%	0.804	81%	0.81	S	S	*	*			trans	172.3	55.7	171.8	0	0	0	0	0	115.6
176	T	32.8	Very low	32.3	Very low	141 Å²	141	136 Å²	136	87%	0.865	81%	0.813	S	S	*	*			trans	-72.3	144.9	178.1	-8.7	0	0	0	0	111.6
177	C	33.3	Very low	32.4	Very low	124 Å²	124	134.7 Å²	134.7	84%	0.838	82%	0.816	S	S	*	*				-165.4	171.1	84.2	62.2	0	0	0	0	113
178	A	27.9	Very low	31.8	Very low	108 Å²	108	134 Å²	134	89%	0.893	81%	0.814	S	S	*	*			trans	-113.2	152.9	-175.4	0	0	0	0	0	113.4
179	G	31.3	Very low	31.7	Very low	74 Å²	74	133.1 Å²	133.1	76%	0.763	82%	0.815	S	S	*	*			trans	-169	80.1	-176.6	0	0	0	0	0	119.1
180	K	33.8	Very low	31.4	Very low	217 Å²	217	131.4 Å²	131.4	94%	0.943	81%	0.809	S	S	*	*			trans	69.9	164.9	151.7	-64.6	179.2	177.9	176	0	120.1
181	M	29.5	Very low	30.9	Very low	177 Å²	177	133 Å²	133	87%	0.872	82%	0.815	S	S	*	*			trans	-90.2	163.3	-178.2	-48.6	171.9	85.4	0	0	109.2
182	S	34.1	Very low	30.7	Very low	112 Å²	112	132.9 Å²	132.9	78%	0.783	83%	0.825	S	S	*	*			cis	-163.3	172.5	49	-73.8	0	0	0	0	110.8
183	P	39.4	Very low	30.2	Very low	113 Å²	113	130.2 Å²	130.2	73%	0.734	83%	0.825	S	S	*	*			trans	-96.1	157.4	-160.8	36.9	-35.9	0	0	0	115.6
184	F	30.1	Very low	29.8	Very low	184 Å²	184	135.6 Å²	135.6	81%	0.807	83%	0.834	S	S	*	*			trans	-161.4	135.7	131.6	-119.3	-82.4	0	0	0	113.3
185	R	24.6	Very low	29.5	Very low	218 Å²	218	134.2 Å²	134.2	82%	0.823	83%	0.83	S	S	*	*			trans	16.9	116.7	163.6	-68.1	174.1	179	-141.2	-0.2	120.5
186	S	26.9	Very low	29.5	Very low	121 Å²	121	139.7 Å²	139.7	85%	0.846	83%	0.834	S	S	*	*				-169.6	139.2	116.2	-83.4	0	0	0	0	111.3
187	S	28.8	Very low	29.3	Very low	130 Å²	130	138.9 Å²	138.9	91%	0.909	82%	0.824	S	S	*	*			trans	-157.5	97.5	175.7	-61.6	0	0	0	0	111.7
188	S	28.7	Very low	29.1	Very low	108 Å²	108	140.1 Å²	140.1	76%	0.755	82%	0.821	S	S	*	*			trans	-123.4	102.6	171.6	54.7	0	0	0	0	110.8
189	T	25.4	Very low	29.1	Very low	141 Å²	141	142.8 Å²	142.8	87%	0.865	82%	0.815	S	S	*	*			trans	35.8	104.3	149.9	55.8	0	0	0	0	119.5
190	S	29	Very low	28.8	Very low	111 Å²	111	144.1 Å²	144.1	78%	0.776	81%	0.813	S	S	*	*			trans	-139.2	119	137.5	52.8	0	0	0	0	107.1
191	S	24.6	Very low	28.6	Very low	124 Å²	124	139.8 Å²	139.8	87%	0.867	81%	0.807	S	S	*	*				76.6	88.7	79.3	-59.6	0	0	0	0	113
192	S	29.2	Very low	28.5	Very low	130 Å²	130	137.5 Å²	137.5	91%	0.909	80%	0.803	S	S	*	*			trans	-132.3	150.9	148.6	-169.8	0	0	0	0	108.7
193	S	25	Very low	28.3	Very low	100 Å²	100	140.2 Å²	140.2	70%	0.699	81%	0.808	S	S	*	*			trans	-120.8	144.8	-172.1	-178.7	0	0	0	0	109.5
194	Y	27.1	Very low	27.7	Very low	235 Å²	235	140.2 Å²	140.2	92%	0.922	81%	0.81	S	S	*	*			trans	178.1	150.7	135.3	-102.9	-69.2	0	0	0	111.8
195	G	27.1	Very low	27.5	Very low	73 Å²	73	136.6 Å²	136.6	75%	0.753	81%	0.808	S	S	*	*			trans	75.2	67.5	148	0	0	0	0	0	119.7
196	H	30.1	Very low	27.6	Very low	192 Å²	192	131.6 Å²	131.6	89%	0.889	81%	0.806	S	S	*	*			trans	-90.7	96.9	161.4	-109.5	-50	0	0	0	111.4
197	N	29.3	Very low	27.6	Very low	125 Å²	125	131.5 Å²	131.5	67%	0.668	80%	0.801	S	S	*	*			trans	-83.5	134.6	164.2	-168.9	-11.6	0	0	0	109.4
198	I	29.5	Very low	27.6	Very low	149 Å²	149	134.7 Å²	134.7	76%	0.764	80%	0.801	S	S	*	*			trans	-106.2	73.1	-179.2	-51.7	-177.9	0	0	0	109.6
199	Q	28.4	Very low	27.7	Very low	164 Å²	164	134.4 Å²	134.4	77%	0.766	80%	0.799	S	S	*	*			trans	-82.5	141.3	165	-75.8	-177.1	-26.2	0	0	110.8
200	S	23.9	Very low	28.6	Very low	102 Å²	102	133.5 Å²	133.5	71%	0.713	80%	0.795	S	S	*	*			trans	-93.2	123.1	174.2	-64.5	0	0	0	0	109.5	T202	S200-T202 PolarHBondContact O-N 3.42Å
201	P	30.3	Very low	29.2	Very low	127 Å²	127	134 Å²	134	83%	0.825	80%	0.796	S	S	*	*			trans	-74.2	101.8	177.7	28.6	-32.9	0	0	0	110.7
202	T	27	Very low	29.6	Very low	128 Å²	128	134.7 Å²	134.7	79%	0.785	79%	0.79	S	S	*	*			trans	-80	120.1	160.9	46.8	0	0	0	0	109.3	S200	S200-T202 PolarHBondContact O-N 3.42Å
203	L	29.2	Very low	29.8	Very low	170 Å²	170	131.7 Å²	131.7	89%	0.89	78%	0.78	S	S	*	*			trans	-142.5	137.7	166	-78.5	-179.8	0	0	0	110.9
204	S	26.7	Very low	30.1	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	78%	0.781	S	S	*	*			trans	-127	138.7	168.1	-67.2	0	0	0	0	108.8
205	S	26.9	Very low	30.5	Very low	108 Å²	108	130.7 Å²	130.7	76%	0.755	77%	0.77	S	S	*	*			trans	62.2	110.1	154.6	-52.8	0	0	0	0	120.4
206	S	26.1	Very low	30.8	Very low	113 Å²	113	134.5 Å²	134.5	79%	0.79	77%	0.768	S	S	*	*			trans	67.7	143.1	133.3	-45	0	0	0	0	118.5
207	T	26.8	Very low	30.9	Very low	119 Å²	119	132.7 Å²	132.7	73%	0.73	76%	0.763	S	S	*	*			cis	-155.5	167.1	35	45.4	0	0	0	0	111.9
208	H	29	Very low	30.8	Very low	197 Å²	197	135 Å²	135	91%	0.912	77%	0.77	S	S	*	*			trans	-148.3	145.4	147.1	-102.8	-79.4	0	0	0	108.6
209	S	31	Very low	31.4	Very low	103 Å²	103	132.9 Å²	132.9	72%	0.72	77%	0.766	S	S	*	*			trans	-126.3	159.3	-172.7	-65.5	0	0	0	0	112.4
210	P	44.2	Very low	31.5	Very low	121 Å²	121	128.4 Å²	128.4	79%	0.786	76%	0.764	S	S	*	*			trans	-92.5	-179.8	-171.5	41.3	-39	0	0	0	112.8
211	P	42.7	Very low	31.8	Very low	121 Å²	121	130.5 Å²	130.5	79%	0.786	77%	0.766	S	S	*	*				-135.1	-161.8	86.5	41.7	-27.5	0	0	0	111
212	N	32.5	Very low	31.9	Very low	139 Å²	139	131.8 Å²	131.8	74%	0.743	76%	0.76	S	S	*	*			cis	-155.8	169.8	4.5	-158.1	-5.2	0	0	0	110.7
213	G	34.1	Very low	32.2	Very low	68 Å²	68	133.3 Å²	133.3	70%	0.701	76%	0.759	S	S	*	*			trans	162.4	125.8	167.6	0	0	0	0	0	114.9
214	F	29.4	Very low	32.2	Very low	165 Å²	165	130.4 Å²	130.4	72%	0.724	75%	0.752	S	S	*	*			trans	-90.6	160.7	-177.3	-79	-107.2	0	0	0	111.7
215	H	36.1	Very low	32.3	Very low	149 Å²	149	128.8 Å²	128.8	69%	0.69	75%	0.753	S	S	*	*				-160.4	153.1	50.6	-84.7	-98	0	0	0	114.5
216	H	33	Very low	32.5	Very low	153 Å²	153	129.4 Å²	129.4	71%	0.708	76%	0.757	S	S	*	*			trans	53.8	147.8	145.2	-60.9	-43.2	0	0	0	121.1
217	I	32.2	Very low	33.3	Very low	153 Å²	153	130 Å²	130	79%	0.785	76%	0.759	S	S	*	*			cis	-149.4	170.5	2.5	-119.1	158.1	0	0	0	110
218	H	28.7	Very low	33.5	Very low	174 Å²	174	127.7 Å²	127.7	81%	0.806	76%	0.759	S	S	*	*			trans	-125.5	177.7	-172.5	-133.2	-132.1	0	0	0	109.5
219	P	42.3	Very low	33.5	Very low	105 Å²	105	126.9 Å²	126.9	68%	0.682	76%	0.761	S	S	*	*			cis	-139	-172.2	-49.9	40.2	-23.4	0	0	0	114.1
220	G	30.4	Very low	33.4	Very low	70 Å²	70	125 Å²	125	72%	0.722	76%	0.758	S	S	*	*			trans	156.5	161.7	148.6	0	0	0	0	0	114.9
221	L	30.6	Very low	32.6	Very low	146 Å²	146	126.8 Å²	126.8	76%	0.764	76%	0.76	S	S	*	*			cis	-178.3	137.8	-43.6	-111.6	169.9	0	0	0	106.9
222	H	30.6	Very low	31.9	Very low	153 Å²	153	127.3 Å²	127.3	71%	0.708	75%	0.752	S	S	*	*			trans	64.3	162.8	176.5	-69.6	-122.1	0	0	0	115.7
223	H	33.1	Very low	31.8	Very low	161 Å²	161	130.8 Å²	130.8	75%	0.745	76%	0.756	S	S	*	*			cis	-140.6	172.5	1	-128.5	-60.9	0	0	0	111.8
224	S	29.9	Very low	31.6	Very low	108 Å²	108	135.9 Å²	135.9	76%	0.755	76%	0.759	S	S	*	*			trans	-79.8	151.1	177.2	50.2	0	0	0	0	115.3
225	G	29.7	Very low	31.6	Very low	78 Å²	78	131.3 Å²	131.3	80%	0.804	76%	0.758	S	S	*	*			trans	-165.4	147.9	171.1	0	0	0	0	0	116.9
226	S	29.5	Very low	31.3	Very low	121 Å²	121	131.8 Å²	131.8	85%	0.846	77%	0.765	S	S	*	*			trans	-174.5	169.8	176.6	-112.1	0	0	0	0	108.8
227	P	43.9	Very low	31.1	Very low	126 Å²	126	128.6 Å²	128.6	82%	0.818	77%	0.765	S	S	*	*			cis	-134	-169	-25.1	40.8	-23.6	0	0	0	113.3
228	G	30.4	Very low	31	Very low	71 Å²	71	127.2 Å²	127.2	73%	0.732	76%	0.764	S	S	*	*			trans	97.3	175.4	161.3	0	0	0	0	0	117
229	N	29.1	Very low	31.1	Very low	180 Å²	180	126.1 Å²	126.1	96%	0.963	76%	0.764	S	S	*	*			cis	-170.5	152.9	-29.3	-127.7	11.2	0	0	0	109.8
230	G	30.1	Very low	30.7	Very low	63 Å²	63	127.5 Å²	127.5	65%	0.649	77%	0.77	S	S	*	*			trans	130.7	134.4	176.6	0	0	0	0	0	112.4
231	L	27.2	Very low	30.7	Very low	159 Å²	159	128 Å²	128	83%	0.832	78%	0.776	S	S	*	*			cis	68.1	136.2	28.2	-54.6	170.5	0	0	0	113.2
232	E	28.3	Very low	30.7	Very low	131 Å²	131	124.3 Å²	124.3	61%	0.612	77%	0.773	S	S	*	*			cis	-155.3	-162.5	12.7	-145.3	167.2	-128.2	0	0	114	F234	E232-F234 HydrophobicContact CG-CD2 4.44Å
233	Y	28.5	Very low	30.8	Very low	212 Å²	212	124.7 Å²	124.7	83%	0.831	78%	0.78	S	S	*	*			trans	83.7	145.1	175.3	-73.2	-96.2	0	0	0	119.4
234	F	30	Very low	30.7	Very low	176 Å²	176	121.4 Å²	121.4	77%	0.772	78%	0.775	S	S	*	*			cis	171.1	141.3	-49	-117.9	-77.9	0	0	0	106.8	E232	E232-F234 HydrophobicContact CG-CD2 4.44Å
235	G	30	Very low	30.8	Very low	68 Å²	68	126.2 Å²	126.2	70%	0.701	78%	0.783	S	S	*	*			trans	-180	124.8	173.6	0	0	0	0	0	113.9
236	L	30.5	Very low	30.9	Very low	159 Å²	159	130 Å²	130	83%	0.832	79%	0.785	S	S	*	*			trans	-65.9	147.7	-176.9	-77.2	62.1	0	0	0	111.6
237	A	28.6	Very low	31	Very low	86 Å²	86	128.1 Å²	128.1	71%	0.711	78%	0.784	S	S	*	*			cis	81	122.5	36	0	0	0	0	0	115.3
238	T	30.4	Very low	30.4	Very low	125 Å²	125	127.6 Å²	127.6	77%	0.767	79%	0.79	S	S	*	*			trans	168.6	116.4	147.9	-75.4	0	0	0	0	112.5
239	L	30.5	Very low	30.3	Very low	151 Å²	151	127 Å²	127	79%	0.791	79%	0.785	S	S	*	*			trans	35.2	160.5	132.5	-44.4	177.8	0	0	0	122
240	T	32.8	Very low	30.4	Very low	133 Å²	133	124.8 Å²	124.8	82%	0.816	78%	0.783	S	S	*	*			cis	-161.1	150.8	14.4	-20.8	0	0	0	0	113.5
241	G	30.4	Very low	30.3	Very low	81 Å²	81	126.4 Å²	126.4	84%	0.835	79%	0.79	S	S	*	*			trans	85.1	144.4	145.1	0	0	0	0	0	119.6
242	G	30.8	Very low	30.3	Very low	68 Å²	68	127.2 Å²	127.2	70%	0.701	79%	0.79	S	S	*	*			cis	159.5	133.4	-15.3	0	0	0	0	0	116
243	N	34	Very low	30.2	Very low	161 Å²	161	128.6 Å²	128.6	86%	0.861	80%	0.801	S	S	*	*			trans	59.4	159.4	153.5	-62.9	2.2	0	0	0	120.1
244	S	30.9	Very low	30	Very low	93 Å²	93	126.4 Å²	126.4	65%	0.65	80%	0.803	S	S	*	*			cis	-177.2	153.5	-26.4	-85.4	0	0	0	0	107.9
245	F	31.9	Very low	29.7	Very low	208 Å²	208	123.9 Å²	123.9	91%	0.912	81%	0.807	S	S	*	*			trans	-170.9	166.4	136.7	-111.3	-72.5	0	0	0	112.1
246	N	32.2	Very low	29.3	Very low	159 Å²	159	126.7 Å²	126.7	85%	0.85	82%	0.816	S	S	*	*			trans	-112.3	159.5	-158.7	-62.5	-46.7	0	0	0	115.2
247	G	29.9	Very low	29	Very low	81 Å²	81	122.4 Å²	122.4	84%	0.835	81%	0.809	S	S	*	*			trans	-163.8	133	163	0	0	0	0	0	111.5
248	A	31.9	Very low	28.6	Very low	114 Å²	114	128.6 Å²	128.6	94%	0.942	82%	0.816	S	S	*	*			trans	-90.8	162.6	-171.9	0	0	0	0	0	113.5
249	G	29.1	Very low	28.3	Very low	60 Å²	60	129.2 Å²	129.2	62%	0.619	82%	0.819	S	S	*	*			cis	165.4	-170.9	-4.3	0	0	0	0	0	113.3
250	S	30.3	Very low	28.1	Very low	132 Å²	132	126.7 Å²	126.7	92%	0.923	81%	0.812	S	S	*	*			trans	62.2	144.6	174.7	44.5	0	0	0	0	118.5
251	A	29.2	Very low	27.9	Very low	97 Å²	97	126.1 Å²	126.1	80%	0.802	80%	0.804	S	S	*	*			cis	-156.7	169	-15.4	0	0	0	0	0	111.4
252	Q	26.2	Very low	27.6	Very low	177 Å²	177	127 Å²	127	83%	0.827	80%	0.796	S	S	*	*			trans	-64.5	162.7	-175.7	-60.4	162.3	-40.6	0	0	113.2
253	L	27	Very low	27.5	Very low	160 Å²	160	131.2 Å²	131.2	84%	0.838	80%	0.802	S	S	*	*				-154.8	178.2	51.2	-89.4	169.6	0	0	0	114.8
254	L	23.3	Very low	27.3	Very low	166 Å²	166	127.2 Å²	127.2	87%	0.869	78%	0.781	S	S	*	*			trans	-92.1	149.2	-174.2	-60.9	137	0	0	0	114.2
255	S	23.8	Very low	27.1	Very low	123 Å²	123	128.8 Å²	128.8	86%	0.86	79%	0.786	S	S	*	*				-166.7	164.4	128	63	0	0	0	0	112.1
256	S	22.3	Very low	26.9	Very low	127 Å²	127	123.4 Å²	123.4	89%	0.888	78%	0.78	S	S	*	*			trans	-86.5	144	-177.7	-173.7	0	0	0	0	112.2
257	G	23.2	Very low	26.7	Very low	68 Å²	68	119.7 Å²	119.7	70%	0.701	77%	0.772	S	S	*	*			trans	-156	99.2	-179.3	0	0	0	0	0	113.3
258	Y	20.8	Very low	26.7	Very low	217 Å²	217	118.8 Å²	118.8	85%	0.851	75%	0.748	S	S	*	*			trans	-77.8	126	178.3	-175.7	-89.6	0	0	0	110.8
259	V	24.3	Very low	26.4	Very low	137 Å²	137	120.2 Å²	120.2	83%	0.83	74%	0.739	S	S	*	*			trans	-129.9	116.1	177.2	-178.5	0	0	0	0	110.6
260	P	26.5	Very low	26.5	Very low	98 Å²	98	122.5 Å²	122.5	64%	0.636	75%	0.745	S	S	*	*			trans	-84.4	152.5	174.9	33.6	-33.6	0	0	0	112.9
261	N	28.3	Very low	26.8	Very low	121 Å²	121	118 Å²	118	65%	0.647	72%	0.716	S	S	*	*			trans	-77.6	127.1	-178.6	166.7	19.9	0	0	0	113.4
262	C	23.8	Very low	27.1	Very low	99 Å²	99	116 Å²	116	67%	0.669	71%	0.705	S	S	*	*			trans	-161	103.8	148.2	52.1	0	0	0	0	113.2
263	D	28.9	Very low	27.8	Very low	157 Å²	157	107.9 Å²	107.9	84%	0.84	67%	0.668	S	S	*	*			trans	-148.1	46.5	160.3	-112.2	-32.2	0	0	0	111.8
264	N	29	Very low	28.5	Very low	77 Å²	77	101 Å²	101	41%	0.412	63%	0.632	S	S	.	*			trans	-95.8	93.6	175	-92.4	12.2	0	0	0	110.8	D756	N264-D756 WeakPolarHBondContact CB-OD2 3.33Å
265	V	26.5	Very low	29.5	Very low	126 Å²	126	97.9 Å²	97.9	76%	0.764	61%	0.613	S	S	*	*	S	Bend	trans	-148	-33.3	156.2	-162.4	0	0	0	0	111.4	A267	V265-A267 VanDerWaalsContact C-N 3.33Å; V265-A267 PolarHBondContact O-N 3.04Å
266	A	27.9	Very low	30.5	Very low	95 Å²	95	96.4 Å²	96.4	79%	0.785	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-74.9	-11.1	-171.7	0	0	0	0	0	115.8	L268	A266-L268 VanDerWaalsContact C-N 3.32Å; A266-L268 PolarHBondContact O-N 3.37Å
267	A	29	Very low	31.4	Very low	82 Å²	82	91.1 Å²	91.1	68%	0.678	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-75.3	-10.7	-167.5	0	0	0	0	0	115.9	V265	V265-A267 VanDerWaalsContact C-N 3.33Å; V265-A267 PolarHBondContact O-N 3.04Å
268	L	29.2	Very low	32.3	Very low	61 Å²	61	96.3 Å²	96.3	32%	0.319	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-129.4	4.5	-162.9	-66.6	-175.5	0	0	0	116.6	A266 Q749 E752	A266-L268 VanDerWaalsContact C-N 3.32Å; A266-L268 PolarHBondContact O-N 3.37Å; L268-Q749 HydrophobicContact CD1-CB 3.93Å; L268-Q749 HydrophobicContact CD1-CG 3.95Å; L268-Q749 HydrophobicContact CD2-CG 3.75Å; L268-Q749 HydrophobicContact CG-CG 4.41Å; L268-E752 HydrophobicContact CD1-CB 4.37Å; L268-E752 WeakPolarHBondContact CD1-OE2 3.19Å
269	L	27	Very low	33.4	Very low	144 Å²	144	91.9 Å²	91.9	75%	0.754	55%	0.547	S	S	*	.	S	Bend	trans	-112	114.2	175.8	-70.2	175.6	0	0	0	110.7
270	S	30.5	Very low	34.1	Very low	109 Å²	109	90 Å²	90	76%	0.762	53%	0.525	S	S	*	.	S	Bend	trans	60.7	148.8	-171.8	19.1	0	0	0	0	114.3	G272	S270-G272 PolarHBondContact O-N 2.9Å
271	A	37.1	Very low	34.3	Very low	36 Å²	36	90.5 Å²	90.5	30%	0.298	53%	0.53	S	S	.	.			trans	-73.3	112.6	179.8	0	0	0	0	0	109.9	C273	A271-C273 HydrophobicContact CB-CB 4.44Å; A271-C273 PolarHBondContact O-N 3.22Å
272	G	34.5	Very low	34.4	Very low	57 Å²	57	90.7 Å²	90.7	59%	0.588	54%	0.536	S	S	*	.	S	Bend	trans	-66.6	38.2	172.6	0	0	0	0	0	114.4	S270 L274	S270-G272 PolarHBondContact O-N 2.9Å; G272-L274 PolarHBondContact O-N 2.8Å
273	C	41.4	Very low	34.5	Very low	6 Å²	6	91.2 Å²	91.2	4%	0.041	54%	0.539	C	S	.	.	S	Bend	trans	-76.7	-0.4	174.8	-140.3	0	0	0	0	110.9	A271 R676	A271-C273 HydrophobicContact CB-CB 4.44Å; A271-C273 PolarHBondContact O-N 3.22Å; C273-R676 PolarHBondContact O-NH2 3.32Å; C273-R676 VanDerWaalsContact SG-CZ 3.59Å; C273-R676 PolarHBondContact SG-NH2 3.13Å
274	L	41.3	Very low	34.4	Very low	16 Å²	16	87.3 Å²	87.3	8%	0.084	54%	0.536	C	S	.	.			trans	-161.4	-6.5	-141.1	-129	130.6	0	0	0	120.7	G272 D276 L277 R278 Q704 I707	G272-L274 PolarHBondContact O-N 2.8Å; L274-D276 PolarHBondContact O-N 3.46Å; L274-L277 HydrophobicContact CD1-CD1 4.19Å; L274-L277 HydrophobicContact CD2-CB 3.67Å; L274-L277 HydrophobicContact CD2-CD1 3.88Å; L274-L277 HydrophobicContact CD2-CG 4.2Å; L274-L277 HydrophobicContact CG-CB 4.19Å; L274-L277 HydrophobicContact CG-CD1 3.89Å; L274-L277 HydrophobicContact CG-CG 4.25Å; L274-L277 PolarHBondContact O-N 2.94Å; L274-R278 PolarHBondContact O-N 3.5Å; L274-Q704 HydrophobicContact CD2-CB 4.12Å; L274-Q704 HydrophobicContact CD2-CG 3.26Å; L274-I707 HydrophobicContact CD1-CG2 4.43Å
275	E	44.2	Very low	34.4	Very low	100 Å²	100	87.4 Å²	87.4	47%	0.467	56%	0.555	S	S	.	*	H	α-helix	trans	-45	-36.6	161.4	-87.6	54.7	-137.2	0	0	111.1	L277 R278 N279	E275-L277 VanDerWaalsContact C-N 3.35Å; E275-L277 PolarHBondContact O-N 3.48Å; E275-R278 PolarHBondContact O-N 3.28Å; E275-R278 VanDerWaalsContact O-N 3.08Å; E275-N279 WeakPolarHBondContact O-CB 3.48Å; E275-N279 VanDerWaalsContact O-CG 3.28Å; E275-N279 PolarHBondContact O-N 3.48Å; E275-N279 PolarHBondContact O-ND2 3.31Å
276	D	44.6	Very low	34.2	Very low	91 Å²	91	85.8 Å²	85.8	49%	0.487	56%	0.564	S	S	.	*	H	α-helix	trans	-56.5	-31.9	173.7	-62.3	-20.2	0	0	0	116.1	L274 R680	L274-D276 PolarHBondContact O-N 3.46Å; D276-R680 VanDerWaalsContact C-NH2 3.29Å; D276-R680 PolarHBondContact O-NH2 3.25Å
277	L	41	Very low	34.4	Very low	16 Å²	16	85.4 Å²	85.4	8%	0.084	56%	0.561	C	S	.	*	H	α-helix	trans	-86.8	-19.4	176.1	-70.2	177	0	0	0	111.7	L274 E275 W280 R680 P700	L274-L277 HydrophobicContact CD1-CD1 4.19Å; L274-L277 HydrophobicContact CD2-CB 3.67Å; L274-L277 HydrophobicContact CD2-CD1 3.88Å; L274-L277 HydrophobicContact CD2-CG 4.2Å; L274-L277 HydrophobicContact CG-CB 4.19Å; L274-L277 HydrophobicContact CG-CD1 3.89Å; L274-L277 HydrophobicContact CG-CG 4.25Å; L274-L277 PolarHBondContact O-N 2.94Å; E275-L277 VanDerWaalsContact C-N 3.35Å; E275-L277 PolarHBondContact O-N 3.48Å; L277-W280 HydrophobicContact CD2-CE3 4.2Å; L277-W280 HydrophobicContact CD2-CZ3 4.19Å; L277-R680 VanDerWaalsContact CD2-CZ 3.46Å; L277-P700 HydrophobicContact CB-CG 4Å; L277-P700 HydrophobicContact CD2-CB 4.2Å; L277-P700 HydrophobicContact CD2-CG 3.64Å; L277-P700 HydrophobicContact CG-CG 4.31Å
278	R	43.6	Very low	34.3	Very low	178 Å²	178	89.7 Å²	89.7	67%	0.672	57%	0.573	S	S	*	*	H	α-helix	trans	-78	-34.6	170.4	-71.1	-174.8	172.5	-172.5	-0.1	112.4	L274 E275 W280	L274-R278 PolarHBondContact O-N 3.5Å; E275-R278 PolarHBondContact O-N 3.28Å; E275-R278 VanDerWaalsContact O-N 3.08Å; R278-W280 PolarHBondContact O-N 2.91Å; R278-W280 VanDerWaalsContact O-N 3.16Å
279	N	43.8	Very low	34.3	Very low	124 Å²	124	91.9 Å²	91.9	66%	0.663	60%	0.599	S	S	*	*	S	Bend	trans	-79.8	15.7	-175.7	-69.5	-16.3	0	0	0	114.4	E275	E275-N279 WeakPolarHBondContact O-CB 3.48Å; E275-N279 VanDerWaalsContact O-CG 3.28Å; E275-N279 PolarHBondContact O-N 3.48Å; E275-N279 PolarHBondContact O-ND2 3.31Å
280	W	37.6	Very low	34.4	Very low	98 Å²	98	89.9 Å²	89.9	37%	0.371	60%	0.604	S	S	.	*			trans	-100.7	92.1	-177.3	-125.1	-28.3	0	0	0	112.5	L277 R278 C283 R680 L684	L277-W280 HydrophobicContact CD2-CE3 4.2Å; L277-W280 HydrophobicContact CD2-CZ3 4.19Å; R278-W280 PolarHBondContact O-N 2.91Å; R278-W280 VanDerWaalsContact O-N 3.16Å; W280-C283 PolarHBondContact NE1-SG 3.21Å; W280-C283 VanDerWaalsContact NE1-SG 3.45Å; W280-R680 VanDerWaalsContact CZ3-CZ 3.45Å; W280-L684 HydrophobicContact CE3-CD1 4.5Å; W280-L684 HydrophobicContact CH2-CD1 3.14Å; W280-L684 HydrophobicContact CH2-CD2 4.49Å; W280-L684 HydrophobicContact CH2-CG 4.42Å; W280-L684 HydrophobicContact CZ2-CD1 4.14Å; W280-L684 HydrophobicContact CZ3-CD1 3.33Å; W280-L684 HydrophobicContact CZ3-CD2 3.9Å; W280-L684 HydrophobicContact CZ3-CG 4.25Å
281	S	30.7	Very low	34.1	Very low	107 Å²	107	89.7 Å²	89.7	75%	0.748	61%	0.609	S	S	*	*			trans	-132	3.9	177.7	-47.8	0	0	0	0	114.3
282	T	31	Very low	33.7	Very low	125 Å²	125	92.6 Å²	92.6	77%	0.767	63%	0.633	S	S	*	*			trans	-138	60.7	-169.1	58.4	0	0	0	0	113.6
283	C	25.5	Very low	33.3	Very low	110 Å²	110	94.9 Å²	94.9	74%	0.743	65%	0.646	S	S	*	*			trans	-128.4	48.9	167.4	-69.9	0	0	0	0	111.7	W280	W280-C283 PolarHBondContact NE1-SG 3.21Å; W280-C283 VanDerWaalsContact NE1-SG 3.45Å
284	G	27.8	Very low	32.8	Very low	75 Å²	75	100.7 Å²	100.7	77%	0.773	68%	0.681	S	S	*	*			trans	-114.1	109.9	177.9	0	0	0	0	0	113.3
285	G	27.7	Very low	32.1	Very low	79 Å²	79	106.9 Å²	106.9	81%	0.814	72%	0.715	S	S	*	*			trans	54.9	76.6	152.6	0	0	0	0	0	119.3	A287	G285-A287 PolarHBondContact O-N 2.96Å
286	G	23.2	Very low	31.4	Very low	92 Å²	92	107.9 Å²	107.9	95%	0.948	73%	0.727	S	S	*	*			trans	-83.5	85	165.5	0	0	0	0	0	113
287	A	31.9	Very low	30.6	Very low	88 Å²	88	109 Å²	109	73%	0.727	74%	0.738	S	S	*	*			trans	-150.8	91.6	175.5	0	0	0	0	0	114.3	G285	G285-A287 PolarHBondContact O-N 2.96Å
288	N	27.4	Very low	30.2	Very low	172 Å²	172	113.3 Å²	113.3	92%	0.92	77%	0.769	S	S	*	*			trans	27.1	104.9	153.6	-59.8	-16	0	0	0	120.4
289	A	29.5	Very low	29.7	Very low	106 Å²	106	110.1 Å²	110.1	88%	0.876	77%	0.774	S	S	*	*			trans	-149.4	147.9	144.3	0	0	0	0	0	111.9
290	A	28.2	Very low	29.6	Very low	103 Å²	103	110.6 Å²	110.6	85%	0.851	78%	0.784	S	S	*	*			trans	-55.3	159.1	-166.7	0	0	0	0	0	118.1
291	A	24.8	Very low	29.2	Very low	105 Å²	105	109.9 Å²	109.9	87%	0.868	81%	0.806	S	S	*	*			trans	-72.7	145.1	171.7	0	0	0	0	0	113.1
292	A	29	Very low	29.1	Very low	96 Å²	96	108.8 Å²	108.8	79%	0.793	81%	0.812	S	S	*	*			trans	-150.5	110.2	155.9	0	0	0	0	0	109.7
293	A	24.3	Very low	29.1	Very low	106 Å²	106	109 Å²	109	88%	0.876	82%	0.819	S	S	*	*			trans	-92.9	117.9	168.1	0	0	0	0	0	108.9
294	V	30.9	Very low	29.3	Very low	128 Å²	128	107.8 Å²	107.8	78%	0.776	83%	0.825	S	S	*	*			trans	-133.2	120.9	169.1	179.6	0	0	0	0	108.4	V296	V294-V296 HydrophobicContact CG1-CG2 3.98Å
295	N	26.6	Very low	29.3	Very low	146 Å²	146	108 Å²	108	78%	0.781	83%	0.827	S	S	*	*			trans	-113.6	121.3	176.4	-175.3	15.6	0	0	0	107.8
296	V	30.8	Very low	29.6	Very low	121 Å²	121	110.1 Å²	110.1	73%	0.733	83%	0.829	S	S	*	*			trans	-134.5	120.6	175.7	177.8	0	0	0	0	109.3	V294	V294-V296 HydrophobicContact CG1-CG2 3.98Å
297	T	28.1	Very low	29.8	Very low	115 Å²	115	113.1 Å²	113.1	71%	0.706	82%	0.824	S	S	*	*			trans	-117.5	115.4	-177	51.7	0	0	0	0	111.6
298	S	32.1	Very low	29.7	Very low	105 Å²	105	116.8 Å²	116.8	73%	0.734	83%	0.83	S	S	*	*			trans	-158.9	111.8	157.9	51.7	0	0	0	0	107.8
299	S	32.2	Very low	29.8	Very low	112 Å²	112	114.6 Å²	114.6	78%	0.783	82%	0.823	S	S	*	*				81.8	140.9	53.2	-64.4	0	0	0	0	113.3
300	P	42.4	Very low	29.8	Very low	134 Å²	134	119 Å²	119	87%	0.87	82%	0.823	S	S	*	*				-134.9	179.6	-123.1	42.7	-28	0	0	0	115.7
301	G	28.6	Very low	30.1	Very low	82 Å²	82	119.3 Å²	119.3	85%	0.845	82%	0.816	S	S	*	*			trans	139.9	143.2	158.2	0	0	0	0	0	114.8
302	G	29.6	Very low	30.2	Very low	85 Å²	85	121.7 Å²	121.7	88%	0.876	82%	0.815	S	S	*	*			trans	150.1	107.7	173.8	0	0	0	0	0	112.9
303	S	30.3	Very low	30.4	Very low	129 Å²	129	122 Å²	122	90%	0.902	82%	0.817	S	S	*	*			trans	-120.3	132	-172.3	56.9	0	0	0	0	113.4
304	G	30.7	Very low	30.8	Very low	84 Å²	84	121.3 Å²	121.3	87%	0.866	81%	0.811	S	S	*	*			trans	159.2	146.5	166.7	0	0	0	0	0	112.1
305	G	27.2	Very low	30.8	Very low	80 Å²	80	122.5 Å²	122.5	83%	0.825	81%	0.813	S	S	*	*			cis	151.7	67.4	-6.1	0	0	0	0	0	114.5
306	S	33.1	Very low	30.9	Very low	123 Å²	123	119.9 Å²	119.9	86%	0.86	81%	0.807	S	S	*	*			trans	-155.3	143.5	174.1	49.1	0	0	0	0	113.5
307	N	27.7	Very low	30.5	Very low	156 Å²	156	125.1 Å²	125.1	83%	0.834	82%	0.815	S	S	*	*			trans	-86.2	146	175.1	-67.7	-69.4	0	0	0	111.3
308	L	30.7	Very low	30.4	Very low	165 Å²	165	125.9 Å²	125.9	86%	0.864	82%	0.823	S	S	*	*			trans	-145.2	106.6	148.1	-80.5	-173.3	0	0	0	112.6
309	T	29	Very low	30.3	Very low	126 Å²	126	126 Å²	126	77%	0.773	82%	0.822	S	S	*	*			trans	16.7	121.1	140	41.7	0	0	0	0	122.1
310	F	28.5	Very low	30.1	Very low	198 Å²	198	128.7 Å²	128.7	87%	0.868	83%	0.826	S	S	*	*			trans	-58.4	164	134.8	-84.9	-68.8	0	0	0	111.3
311	P	35.7	Very low	29.3	Very low	109 Å²	109	125.9 Å²	125.9	71%	0.708	82%	0.821	S	S	*	*			cis	-153.7	178.9	42.5	44	-22.8	0	0	0	120.1
312	N	27.1	Very low	29.2	Very low	156 Å²	156	129.2 Å²	129.2	83%	0.834	82%	0.82	S	S	*	*			trans	55.4	121.4	147.8	-75.7	-5.8	0	0	0	122.6
313	A	33	Very low	29.7	Very low	102 Å²	102	129.7 Å²	129.7	84%	0.843	81%	0.807	S	S	*	*			trans	-136.4	148.1	134.1	0	0	0	0	0	109.5
314	A	31.8	Very low	29.4	Very low	91 Å²	91	131.2 Å²	131.2	75%	0.752	80%	0.804	S	S	*	*			trans	-79.6	174.4	177.6	0	0	0	0	0	111.1
315	N	30.9	Very low	29.5	Very low	153 Å²	153	138.3 Å²	138.3	82%	0.818	81%	0.805	S	S	*	*			cis	-157.9	170	13.9	-126.1	-17.8	0	0	0	106.5
316	S	29.4	Very low	29.5	Very low	92 Å²	92	140.5 Å²	140.5	64%	0.643	80%	0.797	S	S	*	*			cis	-164.2	137.4	1.6	44.3	0	0	0	0	109.3
317	Y	23.4	Very low	29.1	Very low	230 Å²	230	141.9 Å²	141.9	90%	0.902	79%	0.794	S	S	*	*			trans	-151.1	122.2	163.7	-120.2	-80.1	0	0	0	109
318	C	24	Very low	29.1	Very low	131 Å²	131	144.2 Å²	144.2	89%	0.885	80%	0.797	S	S	*	*			trans	-151.8	130.7	169.1	-86.6	0	0	0	0	109.2
319	P	30.5	Very low	28.8	Very low	109 Å²	109	144.8 Å²	144.8	71%	0.708	80%	0.795	S	S	*	*			trans	-135.2	179.9	131.1	38.6	-28.8	0	0	0	112.8
320	I	28.1	Very low	29.3	Very low	168 Å²	168	143.4 Å²	143.4	86%	0.862	79%	0.788	S	S	*	*			trans	82.8	112	174	-51.1	172.1	0	0	0	115.2
321	G	25.9	Very low	29.3	Very low	75 Å²	75	140.4 Å²	140.4	77%	0.773	78%	0.781	S	S	*	*			trans	-154.9	126.5	160.6	0	0	0	0	0	107.9
322	D	27.2	Very low	29.1	Very low	152 Å²	152	143 Å²	143	81%	0.813	79%	0.787	S	S	*	*			trans	-161.4	163.4	-166.6	-132.3	2.3	0	0	0	107.2
323	P	40	Very low	29.4	Very low	95 Å²	95	140.6 Å²	140.6	62%	0.617	78%	0.778	S	S	*	*			cis	-138.1	-170.3	-20.3	41.7	-24.7	0	0	0	114.2
324	L	24.2	Very low	29.3	Very low	161 Å²	161	143.9 Å²	143.9	84%	0.843	77%	0.773	S	S	*	*			trans	70.5	119.4	153.7	-65.1	178.9	0	0	0	122.9
325	R	31.2	Very low	29.3	Very low	232 Å²	232	146.2 Å²	146.2	88%	0.875	78%	0.778	S	S	*	*			trans	147.5	144.4	135.1	-81.7	-173.4	162.8	-171.8	-3.3	109.5
326	L	28.1	Very low	29.2	Very low	127 Å²	127	147 Å²	147	67%	0.665	78%	0.777	S	S	*	*			cis	-160	152.5	-12	-106.4	163.3	0	0	0	109
327	L	24.7	Very low	29.5	Very low	151 Å²	151	147.9 Å²	147.9	79%	0.791	78%	0.78	S	S	*	*			trans	33.9	109.6	151.4	-64.7	167.3	0	0	0	120.7
328	K	27.7	Very low	29.7	Very low	206 Å²	206	142.6 Å²	142.6	90%	0.896	77%	0.772	S	S	*	*				176.9	152.6	100.3	-103.3	-175.9	175.2	-176.5	0	115.5
329	Q	23.8	Very low	30.3	Very low	177 Å²	177	147.6 Å²	147.6	83%	0.827	77%	0.774	S	S	*	*			trans	-143	166.2	159.8	-98.7	-171.2	-9.9	0	0	106.3
330	P	39.9	Very low	30.2	Very low	96 Å²	96	149.1 Å²	149.1	62%	0.623	78%	0.776	S	S	*	*			cis	-135.2	-153.2	-25.1	31.3	-7.7	0	0	0	111.8
331	D	28.4	Very low	30.6	Very low	135 Å²	135	150 Å²	150	72%	0.722	78%	0.779	S	S	*	*			trans	82.5	115.7	151.7	-57.3	-22.6	0	0	0	123.3
332	I	32.3	Very low	30.9	Very low	163 Å²	163	153.4 Å²	153.4	84%	0.836	78%	0.779	S	S	*	*				-157.6	109.7	127.5	-94.2	156.2	0	0	0	104.2
333	V	32.5	Very low	31.7	Very low	106 Å²	106	150.5 Å²	150.5	64%	0.642	77%	0.769	S	S	*	*				68.5	121.4	69.6	177.4	0	0	0	0	110.4
334	K	30.3	Very low	31.1	Very low	172 Å²	172	151.9 Å²	151.9	75%	0.748	78%	0.781	S	S	*	*			cis	-139	174.4	26.2	-112	138.1	-169.7	176.6	0	110.1
335	T	32	Very low	31.4	Very low	139 Å²	139	147.5 Å²	147.5	85%	0.853	78%	0.775	S	S	*	*			cis	-132.8	169.7	27.8	44.3	0	0	0	0	114.5
336	E	30.4	Very low	31.6	Very low	171 Å²	171	143.4 Å²	143.4	80%	0.799	78%	0.776	S	S	*	*			trans	-105.8	168.5	-167.3	-66.9	168.8	125.9	0	0	114.7
337	P	35.6	Very low	31.5	Very low	109 Å²	109	141.8 Å²	141.8	71%	0.708	78%	0.78	S	S	*	*			trans	-115.5	-170.5	-176.2	43.8	-34.2	0	0	0	115.1
338	T	27.8	Very low	32.4	Very low	119 Å²	119	140.2 Å²	140.2	73%	0.73	78%	0.78	S	S	*	*			trans	71.1	125.9	158.1	47.5	0	0	0	0	121.3
339	Y	36.2	Very low	32.6	Very low	237 Å²	237	134.7 Å²	134.7	93%	0.929	77%	0.772	S	S	*	*			trans	-142.1	141.3	134.8	-117.4	-86.7	0	0	0	107.8
340	D	27.7	Very low	33	Very low	140 Å²	140	134.3 Å²	134.3	75%	0.749	78%	0.775	S	S	*	*			trans	-83.9	157.7	-179.5	-66.1	-69.5	0	0	0	113.1
341	M	37	Very low	32.6	Very low	186 Å²	186	134.3 Å²	134.3	92%	0.916	78%	0.783	S	S	*	*				-168.9	152.3	121.4	-97.8	-58.4	155.1	0	0	111.1
342	D	31.6	Very low	32.7	Very low	147 Å²	147	132.1 Å²	132.1	79%	0.786	78%	0.784	S	S	*	*			trans	-112.1	-154.6	-167.8	-156.5	29.6	0	0	0	111
343	P	43.3	Very low	32.8	Very low	91 Å²	91	129.7 Å²	129.7	59%	0.591	78%	0.777	S	S	*	*				-123.6	175.3	-106.5	39.7	-26.1	0	0	0	117.7
344	S	28.2	Very low	32.9	Very low	125 Å²	125	134.7 Å²	134.7	87%	0.874	79%	0.79	S	S	*	*			trans	78.4	136.4	148.2	76.7	0	0	0	0	120
345	G	31.4	Very low	32.8	Very low	69 Å²	69	130.2 Å²	130.2	71%	0.711	79%	0.792	S	S	*	*			trans	-149.8	84.4	177.5	0	0	0	0	0	113.1
346	T	34.3	Very low	32.7	Very low	145 Å²	145	128.4 Å²	128.4	89%	0.89	79%	0.785	S	S	*	*			trans	33.6	124	145	56.1	0	0	0	0	122.5
347	A	26.7	Very low	32.8	Very low	93 Å²	93	126.2 Å²	126.2	77%	0.769	78%	0.779	S	S	*	*			trans	-105.2	-158.8	146.3	0	0	0	0	0	108.4
348	P	43.9	Very low	32.6	Very low	119 Å²	119	131.4 Å²	131.4	77%	0.773	79%	0.786	S	S	*	*			cis	-140	-169.1	-13.5	42.8	-24.3	0	0	0	115.4
349	A	30.5	Very low	32.7	Very low	89 Å²	89	130.4 Å²	130.4	74%	0.736	78%	0.784	S	S	*	*			trans	71.7	160.6	154.8	0	0	0	0	0	118.1
350	L	32	Very low	32.4	Very low	170 Å²	170	124.9 Å²	124.9	89%	0.89	78%	0.775	S	S	*	*			cis	-124.4	178.8	5.2	-74.7	161.2	0	0	0	109.6
351	A	32.8	Very low	32.4	Very low	95 Å²	95	123.4 Å²	123.4	79%	0.785	78%	0.776	S	S	*	*			cis	-150.1	-171.5	19.4	0	0	0	0	0	113.5
352	A	30.7	Very low	32.1	Very low	90 Å²	90	119.4 Å²	119.4	74%	0.744	77%	0.773	S	S	*	*			trans	-76.5	171.1	-177.1	0	0	0	0	0	113.1
353	T	33.3	Very low	32	Very low	112 Å²	112	119.9 Å²	119.9	69%	0.687	78%	0.775	S	S	*	*				-167.7	144.9	64.5	44	0	0	0	0	115.3
354	F	34.2	Very low	31.4	Very low	211 Å²	211	124 Å²	124	93%	0.925	79%	0.791	S	S	*	*			trans	55	162.3	160.9	-53.8	-60.7	0	0	0	117.5
355	G	30.1	Very low	31.6	Very low	77 Å²	77	123 Å²	123	79%	0.794	79%	0.785	S	S	*	*			cis	-154.8	-171.5	-3.9	0	0	0	0	0	109.6
356	S	29.8	Very low	32.5	Very low	101 Å²	101	124.9 Å²	124.9	71%	0.706	78%	0.784	S	S	*	*			trans	-111.4	169.1	-168	55.8	0	0	0	0	115.7
357	D	30.8	Very low	32.5	Very low	126 Å²	126	129.3 Å²	129.3	67%	0.674	79%	0.786	S	S	*	*			trans	95.7	118.5	146.4	-63.4	-50	0	0	0	122.8
358	Y	32.1	Very low	32.9	Very low	217 Å²	217	128.2 Å²	128.2	85%	0.851	78%	0.784	S	S	*	*			trans	75.4	150.3	139.4	-86.5	-100.3	0	0	0	123.9
359	S	29.3	Very low	32.5	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	78%	0.784	S	S	*	*			trans	-59.7	163.9	170.4	-44.1	0	0	0	0	112.5
360	T	30.7	Very low	32.8	Very low	121 Å²	121	131.2 Å²	131.2	74%	0.742	79%	0.785	S	S	*	*			cis	-166.4	153.7	37.8	-35.5	0	0	0	0	111.6
361	S	28.6	Very low	33	Very low	109 Å²	109	128.2 Å²	128.2	76%	0.762	77%	0.774	S	S	*	*			trans	43.5	125.4	150.3	60.4	0	0	0	0	122.3
362	A	30.4	Very low	33.1	Very low	103 Å²	103	132.3 Å²	132.3	85%	0.851	78%	0.777	S	S	*	*				-164	158.4	122.5	0	0	0	0	0	112.4
363	N	28.6	Very low	33.3	Very low	157 Å²	157	131.7 Å²	131.7	84%	0.84	78%	0.779	S	S	*	*			trans	-70.8	163.2	176.4	-59.5	-65.4	0	0	0	113.2
364	L	32.1	Very low	33.4	Very low	176 Å²	176	130.6 Å²	130.6	92%	0.921	79%	0.79	S	S	*	*				-164.5	151.4	116.6	-104.2	164.3	0	0	0	111.8
365	S	31.9	Very low	33.4	Very low	106 Å²	106	124.3 Å²	124.3	74%	0.741	79%	0.786	S	S	*	*			trans	-142.7	140.8	175.6	-176.1	0	0	0	0	109.6
366	P	50	Low	33.6	Very low	108 Å²	108	124.9 Å²	124.9	70%	0.701	79%	0.791	S	S	*	*			trans	-106	132.3	-175.3	36.1	-30.1	0	0	0	115.8
367	Y	34	Very low	33.9	Very low	237 Å²	237	124 Å²	124	93%	0.929	80%	0.798	S	S	*	*			trans	56.1	136.3	143.6	-76.3	-92.6	0	0	0	123.4
368	G	34.5	Very low	34.1	Very low	70 Å²	70	122.3 Å²	122.3	72%	0.722	81%	0.81	S	S	*	*			trans	158.2	70.9	153.8	0	0	0	0	0	121
369	N	36.9	Very low	34.3	Very low	146 Å²	146	115.2 Å²	115.2	78%	0.781	80%	0.804	S	S	*	*			trans	48.5	123.1	141.5	-75.1	13.9	0	0	0	122.8
370	V	35.5	Very low	34.6	Very low	125 Å²	125	119.4 Å²	119.4	76%	0.758	81%	0.81	S	S	*	*				86.2	134.7	75.6	152.2	0	0	0	0	113
371	T	37.3	Very low	34.9	Very low	107 Å²	107	120.3 Å²	120.3	66%	0.656	82%	0.815	S	S	*	*			cis	-148.1	-179.5	14	-9.6	0	0	0	0	114.5
372	E	35.4	Very low	35.5	Very low	181 Å²	181	122.5 Å²	122.5	85%	0.846	81%	0.812	S	S	*	*			trans	67.4	144.6	148.5	-74.2	151.6	-125.3	0	0	122
373	G	34.5	Very low	35.8	Very low	77 Å²	77	121.8 Å²	121.8	79%	0.794	80%	0.802	S	S	*	*			cis	174.2	143.9	-10.3	0	0	0	0	0	115.8
374	G	33.9	Very low	36.2	Very low	89 Å²	89	120 Å²	120	92%	0.918	80%	0.797	S	S	*	*			trans	78.5	152.7	168.5	0	0	0	0	0	118.4
375	G	34.4	Very low	36.5	Very low	80 Å²	80	116 Å²	116	83%	0.825	79%	0.789	S	S	*	*			cis	169.9	130.2	-13.4	0	0	0	0	0	115.1
376	G	34.9	Very low	36.7	Very low	89 Å²	89	115.3 Å²	115.3	92%	0.918	79%	0.789	S	S	*	*			trans	77.6	156.4	169	0	0	0	0	0	118
377	G	35.2	Very low	36	Very low	82 Å²	82	117 Å²	117	85%	0.845	80%	0.797	S	S	*	*			cis	167.2	125.1	-14.1	0	0	0	0	0	115.6
378	G	35.7	Very low	36.1	Very low	90 Å²	90	113.7 Å²	113.7	93%	0.928	79%	0.79	S	S	*	*			trans	79.3	155.2	166.7	0	0	0	0	0	118.2
379	G	36	Very low	36.2	Very low	69 Å²	69	115.9 Å²	115.9	71%	0.711	79%	0.794	S	S	*	*			cis	168.7	143.1	-13.4	0	0	0	0	0	115.4
380	F	37	Very low	36	Very low	185 Å²	185	112.5 Å²	112.5	81%	0.811	79%	0.794	S	S	*	*			trans	57.3	141.8	161.7	-75.1	-95.2	0	0	0	120.1
381	V	35.8	Very low	35.8	Very low	140 Å²	140	113 Å²	113	85%	0.848	80%	0.797	S	S	*	*				-145.8	171.1	53.9	-77.2	0	0	0	0	116.2
382	H	42.1	Very low	35.7	Very low	155 Å²	155	115 Å²	115	72%	0.718	80%	0.804	S	S	*	*			trans	-49.9	167.7	179.8	-88.5	-120.8	0	0	0	117.3
383	S	36.9	Very low	35.6	Very low	89 Å²	89	113.4 Å²	113.4	62%	0.622	80%	0.8	S	S	*	*			cis	-170.1	172.2	21.4	-133	0	0	0	0	110.3
384	T	36.8	Very low	35.5	Very low	120 Å²	120	114.2 Å²	114.2	74%	0.736	80%	0.799	S	S	*	*			cis	-161.3	159.6	-13.3	-7.2	0	0	0	0	111.6
385	A	37.2	Very low	35.2	Very low	91 Å²	91	113.4 Å²	113.4	75%	0.752	79%	0.79	S	S	*	*			trans	24.2	142.7	135.9	0	0	0	0	0	123
386	A	36.7	Very low	35.1	Very low	91 Å²	91	115.6 Å²	115.6	75%	0.752	79%	0.793	S	S	*	*			cis	-160.9	-150.5	-3.2	0	0	0	0	0	108.9
387	V	35.4	Very low	34.9	Very low	143 Å²	143	122.3 Å²	122.3	87%	0.867	79%	0.792	S	S	*	*			cis	-142.4	-150.9	19.8	-175.9	0	0	0	0	109.9
388	H	36.7	Very low	35.4	Very low	169 Å²	169	123.2 Å²	123.2	78%	0.782	78%	0.783	S	S	*	*			trans	-125.9	152.8	-153.3	-113.4	-93.3	0	0	0	118.1
389	S	36.5	Very low	35.2	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	78%	0.782	S	S	*	*			trans	82.8	132.4	137.9	-65.7	0	0	0	0	124.6
390	G	31.8	Very low	35	Very low	76 Å²	76	129.9 Å²	129.9	78%	0.784	78%	0.783	S	S	*	*			trans	155.6	105.5	153.2	0	0	0	0	0	117.2
391	T	31.7	Very low	34.8	Very low	134 Å²	134	129.9 Å²	129.9	82%	0.822	78%	0.783	S	S	*	*			trans	-152.2	170.2	178.8	-49.1	0	0	0	0	111.9
392	L	35.3	Very low	34.5	Very low	151 Å²	151	133.9 Å²	133.9	79%	0.791	78%	0.782	S	S	*	*			trans	94.1	145.8	170.5	-51.1	176.8	0	0	0	115.2
393	L	33.7	Very low	33.9	Very low	147 Å²	147	137.4 Å²	137.4	77%	0.77	79%	0.789	S	S	*	*			cis	-161.4	156.9	-2.8	-122.1	168.5	0	0	0	113
394	A	32.3	Very low	33.7	Very low	94 Å²	94	139.2 Å²	139.2	78%	0.777	80%	0.797	S	S	*	*			trans	57.4	157.9	157.6	0	0	0	0	0	121
395	G	26.7	Very low	33.3	Very low	71 Å²	71	139.6 Å²	139.6	73%	0.732	80%	0.804	S	S	*	*			cis	129.9	88.9	-22.8	0	0	0	0	0	118.1
396	S	31.7	Very low	33.1	Very low	127 Å²	127	138.3 Å²	138.3	89%	0.888	80%	0.8	S	S	*	*			trans	176.5	156.3	145.8	-83.1	0	0	0	0	114.8
397	Y	30.9	Very low	32.6	Very low	229 Å²	229	144.4 Å²	144.4	90%	0.898	81%	0.805	S	S	*	*			trans	-123	-173.5	171.1	-89.1	-82.1	0	0	0	108.1
398	P	46.9	Very low	32.5	Very low	101 Å²	101	142.6 Å²	142.6	66%	0.656	79%	0.791	S	S	*	*			cis	-149.5	-175.8	14	46.3	-25.8	0	0	0	120
399	Y	30.4	Very low	32.3	Very low	228 Å²	228	142 Å²	142	89%	0.894	79%	0.788	S	S	*	*			trans	68.6	133.5	150.2	-85.3	-66.1	0	0	0	123.6
400	G	32.1	Very low	31.9	Very low	72 Å²	72	141.5 Å²	141.5	74%	0.742	78%	0.783	S	S	*	*			trans	-164.4	-15.2	179.2	0	0	0	0	0	125.3
401	K	33	Very low	32.1	Very low	184 Å²	184	145.3 Å²	145.3	80%	0.8	79%	0.785	S	S	*	*			trans	53.5	127.1	167.8	-77.4	174.7	-177.7	163.6	0	123
402	R	30.7	Very low	32.2	Very low	224 Å²	224	146.5 Å²	146.5	85%	0.845	79%	0.786	S	S	*	*			trans	86.6	110.2	136.2	-72.7	-179.2	178.8	-169.3	2	124.7
403	R	29.2	Very low	32.1	Very low	229 Å²	229	142.2 Å²	142.2	86%	0.864	78%	0.779	S	S	*	*				73	145.1	121.3	-83.6	-169.9	175	-164.8	-1.6	124.7
404	T	32.3	Very low	32.1	Very low	128 Å²	128	139.9 Å²	139.9	79%	0.785	78%	0.781	S	S	*	*			trans	83.5	105.3	149.4	42	0	0	0	0	124
405	S	29.1	Very low	32.2	Very low	127 Å²	127	141 Å²	141	89%	0.888	78%	0.781	S	S	*	*				72	126.4	121.7	-155.4	0	0	0	0	123.3
406	G	31.6	Very low	32.6	Very low	64 Å²	64	144.2 Å²	144.2	66%	0.66	79%	0.787	S	S	*	*			trans	154.4	128.4	169.3	0	0	0	0	0	108.8
407	Y	27.2	Very low	32.6	Very low	220 Å²	220	140.8 Å²	140.8	86%	0.863	77%	0.772	S	S	*	*				58.6	127.8	56.6	-87.4	-106.4	0	0	0	112.9
408	D	32	Very low	32.7	Very low	104 Å²	104	137.1 Å²	137.1	56%	0.556	77%	0.774	S	S	*	*			cis	-164.7	170.5	2.2	-154.5	-0.8	0	0	0	113.1
409	Q	34.3	Very low	32	Very low	156 Å²	156	136.8 Å²	136.8	73%	0.729	78%	0.78	S	S	*	*			trans	59.5	162.5	150.9	-81.4	170.6	60.2	0	0	120.6
410	C	27.6	Very low	32.1	Very low	105 Å²	105	131.2 Å²	131.2	71%	0.709	77%	0.774	S	S	*	*			cis	-166.6	-176.7	-34.4	-122.5	0	0	0	0	110.3
411	L	34.6	Very low	32	Very low	157 Å²	157	136 Å²	136	82%	0.822	78%	0.779	S	S	*	*			trans	118.6	146.6	161	-65.7	169.7	0	0	0	115.6
412	N	34.3	Very low	32.2	Very low	158 Å²	158	133.2 Å²	133.2	85%	0.845	78%	0.78	S	S	*	*			cis	-166.1	161.2	-47.1	-127.4	-10.8	0	0	0	112.3
413	G	32.9	Very low	32.2	Very low	62 Å²	62	126 Å²	126	64%	0.639	78%	0.775	S	S	*	*			trans	131	108.6	170.3	0	0	0	0	0	112.6
414	A	35.5	Very low	32.1	Very low	98 Å²	98	121.3 Å²	121.3	81%	0.81	77%	0.772	S	S	*	*			cis	75.5	136.5	43.9	0	0	0	0	0	113.4
415	C	32.7	Very low	32.2	Very low	116 Å²	116	122 Å²	122	78%	0.784	78%	0.776	S	S	*	*			cis	-164.2	171.2	-10.2	-106	0	0	0	0	107
416	T	35.1	Very low	32.2	Very low	140 Å²	140	123.6 Å²	123.6	86%	0.859	77%	0.774	S	S	*	*			cis	-157.5	-177.3	7	-2.1	0	0	0	0	106.6
417	G	32.8	Very low	32.2	Very low	55 Å²	55	123.8 Å²	123.8	57%	0.567	78%	0.776	S	S	*	*			cis	151.1	156.2	-0.8	0	0	0	0	0	112.4
418	T	33.1	Very low	32.1	Very low	151 Å²	151	121.6 Å²	121.6	93%	0.926	78%	0.779	S	S	*	*			trans	61.2	133.4	162.2	58	0	0	0	0	119.7
419	A	32.4	Very low	32.1	Very low	95 Å²	95	122.1 Å²	122.1	79%	0.785	79%	0.788	S	S	*	*			cis	-156.6	-162.6	-3.5	0	0	0	0	0	108.1
420	S	31.4	Very low	31.9	Very low	110 Å²	110	122.1 Å²	122.1	77%	0.769	79%	0.792	S	S	*	*			cis	-158.4	-172.6	5.5	-155.9	0	0	0	0	111.8
421	M	29.4	Very low	32.1	Very low	172 Å²	172	123.3 Å²	123.3	85%	0.847	80%	0.798	S	S	*	*			trans	-149.4	176.5	179.3	-88.8	-69.3	167	0	0	109.1
422	P	38.3	Very low	31.9	Very low	126 Å²	126	123.5 Å²	123.5	82%	0.818	80%	0.8	S	S	*	*			cis	-137.2	-178.1	13	43.6	-26	0	0	0	116.9
423	G	29.6	Very low	31.5	Very low	72 Å²	72	121.4 Å²	121.4	74%	0.742	80%	0.796	S	S	*	*			trans	177.6	131.3	162.5	0	0	0	0	0	113
424	V	27.8	Very low	31.4	Very low	132 Å²	132	124.3 Å²	124.3	80%	0.8	80%	0.803	S	S	*	*			trans	-128.4	126.4	-173.1	176.8	0	0	0	0	112
425	V	35	Very low	31.1	Very low	143 Å²	143	126.3 Å²	126.3	87%	0.867	80%	0.799	S	S	*	*			trans	-142.9	145.6	159.9	-168.1	0	0	0	0	109.3
426	N	28	Very low	31.1	Very low	160 Å²	160	126.6 Å²	126.6	86%	0.856	80%	0.799	S	S	*	*			trans	-79.2	146.1	-176.4	-67	-66.4	0	0	0	113.6
427	G	32	Very low	30.9	Very low	68 Å²	68	124.9 Å²	124.9	70%	0.701	79%	0.789	S	S	*	*			trans	-178.8	95.3	168.5	0	0	0	0	0	113.8	P429	G427-P429 WeakPolarHBondContact O-CD 3.44Å
428	N	25.6	Very low	30.8	Very low	174 Å²	174	127.3 Å²	127.3	93%	0.93	80%	0.797	S	S	*	*			trans	-93.3	114.8	175.4	-89.6	-27	0	0	0	111.9
429	P	31.8	Very low	30.7	Very low	114 Å²	114	131 Å²	131	74%	0.74	79%	0.794	S	S	*	*			trans	-98.5	154.1	151.1	34.7	-30.8	0	0	0	111.7	G427	G427-P429 WeakPolarHBondContact O-CD 3.44Å
430	L	30.1	Very low	30.6	Very low	157 Å²	157	129.4 Å²	129.4	82%	0.822	78%	0.781	S	S	*	*			trans	-65	150.6	-175.6	-61.9	164.2	0	0	0	112.7	L432	L430-L432 PolarHBondContact O-N 2.94Å
431	P	31.7	Very low	30.7	Very low	129 Å²	129	129.5 Å²	129.5	84%	0.838	77%	0.768	S	S	*	*			trans	-70.3	95.5	171.9	30	-34.1	0	0	0	110.3
432	L	29.9	Very low	30.7	Very low	162 Å²	162	130 Å²	130	85%	0.848	77%	0.768	S	S	*	*			trans	-57.5	141.8	162.1	-70.8	170.5	0	0	0	109.1	L430	L430-L432 PolarHBondContact O-N 2.94Å
433	C	26.5	Very low	30.4	Very low	114 Å²	114	131.6 Å²	131.6	77%	0.77	77%	0.766	S	S	*	*			trans	-58.7	133	171.9	-64.3	0	0	0	0	109.1	I435	C433-I435 PolarHBondContact O-N 3.14Å
434	P	29.9	Very low	30.2	Very low	122 Å²	122	134.3 Å²	134.3	79%	0.792	76%	0.764	S	S	*	*			trans	-64.2	109.2	175	26.1	-32.9	0	0	0	109.2
435	I	31	Very low	30.3	Very low	140 Å²	140	135.7 Å²	135.7	72%	0.718	77%	0.766	S	S	*	*			trans	-58.5	129.9	158.9	-59.7	170.4	0	0	0	105.8	C433 T437	C433-I435 PolarHBondContact O-N 3.14Å; I435-T437 VanDerWaalsContact C-N 3.28Å; I435-T437 PolarHBondContact O-N 3.23Å
436	P	30.7	Very low	30	Very low	122 Å²	122	132.7 Å²	132.7	79%	0.792	75%	0.751	S	S	*	*			trans	-71.1	86	177.4	29.1	-34	0	0	0	110	S438	P436-S438 PolarHBondContact O-N 3.03Å
437	T	32.3	Very low	29.9	Very low	104 Å²	104	135.1 Å²	135.1	64%	0.638	75%	0.75	S	S	*	*			trans	-67	97.1	175.6	52.4	0	0	0	0	110.2	I435 R439	I435-T437 VanDerWaalsContact C-N 3.28Å; I435-T437 PolarHBondContact O-N 3.23Å; T437-R439 WeakPolarHBondContact O-CB 3.39Å; T437-R439 PolarHBondContact O-N 3.1Å
438	S	30.2	Very low	29.9	Very low	106 Å²	106	143 Å²	143	74%	0.741	76%	0.76	S	S	*	*	S	Bend	trans	48.3	-1.7	154.8	56.3	0	0	0	0	120.9	P436	P436-S438 PolarHBondContact O-N 3.03Å
439	R	30.5	Very low	29.9	Very low	229 Å²	229	138.1 Å²	138.1	86%	0.864	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-98.2	3.5	-168.6	-136.6	169.6	-173.2	157.6	2.1	114.5	T437	T437-R439 WeakPolarHBondContact O-CB 3.39Å; T437-R439 PolarHBondContact O-N 3.1Å
440	A	30.6	Very low	29.6	Very low	62 Å²	62	138.3 Å²	138.3	51%	0.512	76%	0.755	S	S	.	*	G	3₁₀ helix	trans	-79.6	-19.9	176.4	0	0	0	0	0	113.4	H442	A440-H442 PolarHBondContact O-N 3.24Å
441	F	33.8	Very low	29.5	Very low	112 Å²	112	138.6 Å²	138.6	49%	0.491	76%	0.757	S	S	.	*	G	3₁₀ helix	trans	-77.8	5.6	-177	-94.1	-77.9	0	0	0	115.5	M443 M580	F441-M443 PolarHBondContact O-N 2.96Å; F441-M580 HydrophobicContact CD2-CE 4.38Å; F441-M580 HydrophobicContact CD2-SD 3.83Å; F441-M580 HydrophobicContact CE2-CE 3.79Å; F441-M580 HydrophobicContact CE2-CG 4.19Å; F441-M580 HydrophobicContact CE2-SD 3.54Å; F441-M580 VanDerWaalsContact CE2-SD 3.54Å; F441-M580 HydrophobicContact CZ-SD 4.43Å
442	H	29.4	Very low	29.3	Very low	183 Å²	183	138 Å²	138	85%	0.847	75%	0.753	S	S	*	*			trans	-90.4	47.4	168.1	-118.5	-76.7	0	0	0	112	A440 N444	A440-H442 PolarHBondContact O-N 3.24Å; H442-N444 PolarHBondContact O-N 3.43Å; H442-N444 VanDerWaalsContact O-N 3.1Å
443	M	31.9	Very low	29.3	Very low	159 Å²	159	139.2 Å²	139.2	78%	0.783	75%	0.754	S	S	*	*			trans	-67.1	105.7	169.5	-81.8	-68.1	-176.1	0	0	109.4	F441 L445	F441-M443 PolarHBondContact O-N 2.96Å; M443-L445 PolarHBondContact O-N 3.19Å; M443-L445 VanDerWaalsContact O-N 3.17Å
444	N	26.5	Very low	29.5	Very low	128 Å²	128	140.1 Å²	140.1	68%	0.684	76%	0.756	S	S	*	*			trans	-72.3	106.5	178.6	-175.4	8.6	0	0	0	110	H442 S446	H442-N444 PolarHBondContact O-N 3.43Å; H442-N444 VanDerWaalsContact O-N 3.1Å; N444-S446 PolarHBondContact ND2-OG 3.23Å; N444-S446 PolarHBondContact O-N 3.09Å; N444-S446 WeakPolarHBondContact OD1-CB 3.46Å; N444-S446 PolarHBondContact OD1-OG 3.2Å
445	L	29.5	Very low	29.7	Very low	161 Å²	161	139.9 Å²	139.9	84%	0.843	76%	0.755	S	S	*	*			trans	-74.1	10.4	-173.1	-141.2	75.7	0	0	0	114.3	M443 Y447	M443-L445 PolarHBondContact O-N 3.19Å; M443-L445 VanDerWaalsContact O-N 3.17Å; L445-Y447 PolarHBondContact O-N 3.39Å; L445-Y447 VanDerWaalsContact O-N 3.09Å
446	S	27.3	Very low	29.5	Very low	80 Å²	80	141.1 Å²	141.1	56%	0.559	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	18.7	-170.1	74.6	0	0	0	0	115.8	N444	N444-S446 PolarHBondContact ND2-OG 3.23Å; N444-S446 PolarHBondContact O-N 3.09Å; N444-S446 WeakPolarHBondContact OD1-CB 3.46Å; N444-S446 PolarHBondContact OD1-OG 3.2Å
447	Y	27.4	Very low	29.5	Very low	212 Å²	212	143.2 Å²	143.2	83%	0.831	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121	10.9	-176.3	-137.4	-93	0	0	0	115.5	L445	L445-Y447 PolarHBondContact O-N 3.39Å; L445-Y447 VanDerWaalsContact O-N 3.09Å
448	Y	30.6	Very low	29.2	Very low	232 Å²	232	142.7 Å²	142.7	91%	0.91	77%	0.773	S	S	*	*	S	Bend	trans	-127.6	32.6	166.8	-91.3	-81.3	0	0	0	112.6	S450	Y448-S450 PolarHBondContact O-N 2.98Å
449	G	25.5	Very low	29	Very low	73 Å²	73	142.6 Å²	142.6	75%	0.753	78%	0.779	S	S	*	*			trans	-91.7	65.9	177.6	0	0	0	0	0	114.1
450	S	26	Very low	28.9	Very low	118 Å²	118	136.2 Å²	136.2	83%	0.825	77%	0.774	S	S	*	*			trans	-151.5	72.9	173.1	-78	0	0	0	0	112.5	Y448	Y448-S450 PolarHBondContact O-N 2.98Å
451	L	27.3	Very low	28.8	Very low	163 Å²	163	137.6 Å²	137.6	85%	0.853	79%	0.786	S	S	*	*			trans	-108.2	135	157.5	-115.1	108.4	0	0	0	108.5
452	P	29.5	Very low	28.4	Very low	116 Å²	116	137.5 Å²	137.5	75%	0.753	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69.5	139.8	-178.4	28.4	-34.1	0	0	0	111.4	T454	P452-T454 PolarHBondContact O-N 3.34Å
453	Q	28	Very low	28.4	Very low	188 Å²	188	136.8 Å²	136.8	88%	0.879	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72.1	123.5	-179.9	-64.3	171.6	-6.7	0	0	111
454	T	31	Very low	28.3	Very low	132 Å²	132	133.6 Å²	133.6	81%	0.81	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-92.3	119.6	162.2	52	0	0	0	0	109	P452	P452-T454 PolarHBondContact O-N 3.34Å
455	P	34.2	Very low	28.1	Very low	118 Å²	118	138.3 Å²	138.3	77%	0.766	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.4	142.5	-177.9	29.3	-34.3	0	0	0	112.1
456	N	27.9	Very low	28.6	Very low	165 Å²	165	136.7 Å²	136.7	88%	0.882	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-70.2	135.8	168	-79.7	-40.6	0	0	0	110.8
457	L	30.3	Very low	28.8	Very low	167 Å²	167	136.5 Å²	136.5	87%	0.874	82%	0.819	S	S	*	*			trans	-143	141.8	150	-97.4	117.6	0	0	0	109.4
458	A	25.4	Very low	29.1	Very low	93 Å²	93	135.2 Å²	135.2	77%	0.769	82%	0.82	S	S	*	*			trans	-136	153.8	178.2	0	0	0	0	0	109.7
459	A	27.4	Very low	28.8	Very low	104 Å²	104	128.8 Å²	128.8	86%	0.86	81%	0.809	S	S	*	*			trans	67.2	146.2	-175.4	0	0	0	0	0	114.4
460	A	28	Very low	29.1	Very low	94 Å²	94	135.7 Å²	135.7	78%	0.777	82%	0.819	S	S	*	*			cis	-154.3	166.5	7.8	0	0	0	0	0	113.3
461	A	28.5	Very low	29.2	Very low	91 Å²	91	134.1 Å²	134.1	75%	0.752	81%	0.813	S	S	*	*			trans	58.2	102.6	148.4	0	0	0	0	0	122.1
462	S	24.5	Very low	29.2	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	82%	0.817	S	S	*	*				34.3	132.4	121.2	-47.4	0	0	0	0	122.8
463	I	29.4	Very low	29.3	Very low	168 Å²	168	137 Å²	137	86%	0.862	82%	0.818	S	S	*	*				177.7	136.9	113.5	-91.4	158.2	0	0	0	113.4
464	A	29	Very low	29.5	Very low	93 Å²	93	134.1 Å²	134.1	77%	0.769	82%	0.816	S	S	*	*			trans	54.6	139.4	155.9	0	0	0	0	0	125.1
465	Y	24.2	Very low	29.4	Very low	227 Å²	227	133 Å²	133	89%	0.89	81%	0.813	S	S	*	*			trans	-92.5	-171.6	160.9	-90	-88.6	0	0	0	110.5
466	P	38.3	Very low	29.7	Very low	127 Å²	127	133 Å²	133	83%	0.825	81%	0.813	S	S	*	*			cis	-131.4	179.6	-2.5	25.7	-1.2	0	0	0	116.1
467	G	32	Very low	29.8	Very low	76 Å²	76	129.5 Å²	129.5	78%	0.784	81%	0.807	S	S	*	*			trans	-168.4	76	174.5	0	0	0	0	0	117.5
468	Q	33.4	Very low	29.9	Very low	185 Å²	185	127.5 Å²	127.5	86%	0.864	81%	0.807	S	S	*	*			trans	32	104.5	154.6	-74.2	177.1	-7.8	0	0	122.4
469	S	26	Very low	30.1	Very low	96 Å²	96	130.2 Å²	130.2	67%	0.671	82%	0.815	S	S	*	*				39.9	124.1	121.9	62.5	0	0	0	0	122.5
470	F	30.7	Very low	30.3	Very low	218 Å²	218	128.8 Å²	128.8	96%	0.956	81%	0.81	S	S	*	*				-136.7	148.9	122.3	-91.1	-75.3	0	0	0	109.6
471	A	27.3	Very low	30.3	Very low	86 Å²	86	130.3 Å²	130.3	71%	0.711	82%	0.815	S	S	*	*			trans	-126.6	138.9	-176.4	0	0	0	0	0	111.3
472	F	28.8	Very low	30.3	Very low	212 Å²	212	130.7 Å²	130.7	93%	0.93	82%	0.818	S	S	*	*			trans	-142.5	123.1	159.8	-101.4	-79.3	0	0	0	109.4
473	T	30.2	Very low	30.5	Very low	126 Å²	126	134.7 Å²	134.7	77%	0.773	82%	0.824	S	S	*	*			trans	-117	157	161	57.2	0	0	0	0	107.4
474	P	32.9	Very low	30.5	Very low	129 Å²	129	130.5 Å²	130.5	84%	0.838	82%	0.815	S	S	*	*				-130	176.4	91.8	37.4	-29	0	0	0	113.8
475	S	30.2	Very low	30.5	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	82%	0.817	S	S	*	*			trans	-102.8	-169.9	-174.2	-140.9	0	0	0	0	110.9
476	P	39.6	Very low	30.6	Very low	117 Å²	117	129 Å²	129	76%	0.76	81%	0.813	S	S	*	*				-132.2	-152.1	-116.2	41.3	-20	0	0	0	113.7
477	A	29	Very low	30.3	Very low	93 Å²	93	134 Å²	134	77%	0.769	82%	0.815	S	S	*	*			trans	85.3	104.3	160.3	0	0	0	0	0	119.1
478	S	33.3	Very low	30.2	Very low	124 Å²	124	135.7 Å²	135.7	87%	0.867	82%	0.815	S	S	*	*				-138.8	146.8	120.4	62.6	0	0	0	0	109.3
479	T	30.1	Very low	30	Very low	151 Å²	151	133.5 Å²	133.5	93%	0.926	81%	0.805	S	S	*	*			trans	-101.7	119.1	-167.4	34.9	0	0	0	0	112.7
480	G	31.3	Very low	30.1	Very low	74 Å²	74	133.4 Å²	133.4	76%	0.763	81%	0.81	S	S	*	*			trans	-124.7	116.8	166	0	0	0	0	0	109.8	A482	G480-A482 PolarHBondContact O-N 3.18Å
481	S	28.4	Very low	30	Very low	126 Å²	126	127.8 Å²	127.8	88%	0.881	80%	0.804	S	S	*	*			trans	-80.8	102.4	-166.9	54.1	0	0	0	0	113.4
482	A	27.2	Very low	30	Very low	98 Å²	98	131.8 Å²	131.8	81%	0.81	81%	0.812	S	S	*	*			trans	-126.6	58.9	165.6	0	0	0	0	0	110.6	G480 A484	G480-A482 PolarHBondContact O-N 3.18Å; A482-A484 PolarHBondContact O-N 3.14Å
483	Q	30.1	Very low	30.1	Very low	195 Å²	195	126.2 Å²	126.2	91%	0.911	81%	0.806	S	S	*	*			trans	-73.2	107.7	175.8	-88.9	-174.1	-36.1	0	0	110.9
484	A	28.2	Very low	30	Very low	79 Å²	79	124.9 Å²	124.9	65%	0.653	81%	0.807	S	S	*	*			trans	-66.3	132.6	168.4	0	0	0	0	0	110.6	A482 L486	A482-A484 PolarHBondContact O-N 3.14Å; A484-L486 PolarHBondContact O-N 2.87Å
485	V	28.4	Very low	30	Very low	134 Å²	134	125.2 Å²	125.2	81%	0.812	81%	0.809	S	S	*	*			trans	-80.5	67.4	173.2	-172.7	0	0	0	0	109.6	R487	V485-R487 PolarHBondContact O-N 3.13Å
486	L	26.7	Very low	29.9	Very low	155 Å²	155	125.3 Å²	125.3	81%	0.812	81%	0.81	S	S	*	*			trans	-81	87.1	168.3	-87.7	165.3	0	0	0	109.4	A484 S488	A484-L486 PolarHBondContact O-N 2.87Å; L486-S488 PolarHBondContact O-N 3.12Å
487	R	31.9	Very low	29.4	Very low	232 Å²	232	128.5 Å²	128.5	88%	0.875	82%	0.815	S	S	*	*			trans	-87.5	88.8	168.7	-93	-173.7	169.3	165.2	-2	111	V485	V485-R487 PolarHBondContact O-N 3.13Å
488	S	30.8	Very low	29.5	Very low	111 Å²	111	130.7 Å²	130.7	78%	0.776	82%	0.819	S	S	*	*			trans	-1.7	108.5	157.6	-44.3	0	0	0	0	118.4	L486	L486-S488 PolarHBondContact O-N 3.12Å
489	E	28.6	Very low	29.5	Very low	139 Å²	139	132.4 Å²	132.4	65%	0.65	81%	0.813	S	S	*	*			trans	-103.7	85.9	147.3	-81.7	-156.5	105.6	0	0	108.9	R647	E489-R647 WeakPolarHBondContact OE1-CD 3.5Å; E489-R647 IonicContact OE1-CZ 2.75Å; E489-R647 IonicContact OE1-NE 3.4Å; E489-R647 IonicContact OE1-NH1 3.62Å; E489-R647 PolarHBondContact OE1-NH1 3.08Å; E489-R647 IonicContact OE2-NH1 3.72Å
490	A	27.5	Very low	29.5	Very low	94 Å²	94	135.2 Å²	135.2	78%	0.777	81%	0.813	S	S	*	*			trans	-158.4	57.6	-178.1	0	0	0	0	0	114.4
491	A	30	Very low	29.7	Very low	100 Å²	100	137.7 Å²	137.7	83%	0.826	81%	0.808	S	S	*	*			trans	-166.2	111.4	159.2	0	0	0	0	0	111.6
492	L	27.8	Very low	30	Very low	170 Å²	170	140.6 Å²	140.6	89%	0.89	81%	0.807	S	S	*	*			trans	-146.3	85.1	165	-104.2	174.1	0	0	0	108.8
493	A	29.4	Very low	30.6	Very low	96 Å²	96	142.6 Å²	142.6	79%	0.793	81%	0.805	S	S	*	*			trans	-159.6	135.9	173.5	0	0	0	0	0	111.3
494	A	29.1	Very low	30.9	Very low	98 Å²	98	137.8 Å²	137.8	81%	0.81	81%	0.808	S	S	*	*			trans	61.9	126.6	170.5	0	0	0	0	0	118.6
495	P	31.9	Very low	31.2	Very low	135 Å²	135	144.3 Å²	144.3	88%	0.877	82%	0.815	S	S	*	*			trans	-90.4	146.3	164.3	35.6	-31.4	0	0	0	111.7
496	S	28.6	Very low	31.4	Very low	111 Å²	111	143.7 Å²	143.7	78%	0.776	81%	0.814	S	S	*	*			trans	-146.8	113.1	170.3	60.4	0	0	0	0	112.5
497	E	28.3	Very low	31.9	Very low	183 Å²	183	142.2 Å²	142.2	86%	0.855	81%	0.811	S	S	*	*			trans	31.7	110.9	146.6	-56	-171.5	149.6	0	0	120.6
498	T	31.4	Very low	32.4	Very low	139 Å²	139	135.5 Å²	135.5	85%	0.853	81%	0.806	S	S	*	*			trans	14.8	115.5	143.3	54	0	0	0	0	120.6
499	E	33.5	Very low	33.2	Very low	161 Å²	161	138 Å²	138	75%	0.752	81%	0.805	S	S	*	*			trans	-126.4	139.5	142.7	-77.6	-160.1	142.7	0	0	111.1	N501	E499-N501 PolarHBondContact OE2-ND2 2.91Å
500	K	30.1	Very low	34.4	Very low	210 Å²	210	137.7 Å²	137.7	91%	0.913	81%	0.812	S	S	*	*			trans	-100.8	86.6	168.7	-73.1	-177.1	179	178.3	0	109.3
501	N	35.1	Very low	35.8	Very low	126 Å²	126	141.3 Å²	141.3	67%	0.674	81%	0.806	S	S	*	*			trans	-78	129	175.4	-79	-56.7	0	0	0	110.9	E499	E499-N501 PolarHBondContact OE2-ND2 2.91Å
502	H	35.4	Very low	37.6	Very low	186 Å²	186	138.3 Å²	138.3	86%	0.861	78%	0.779	S	S	*	*			trans	-102.2	26.5	-160.3	-157.1	-51.4	0	0	0	113.3
503	D	39.6	Very low	40.2	Very low	141 Å²	141	137.5 Å²	137.5	75%	0.754	77%	0.77	S	S	*	*			trans	-107.3	128.1	-177.8	-77.3	-62.2	0	0	0	112.2	R505	D503-R505 PolarHBondContact O-N 3.08Å
504	G	36.8	Very low	43	Very low	94 Å²	94	133.7 Å²	133.7	97%	0.969	74%	0.737	S	S	*	*			trans	-73.4	41.6	-175.2	0	0	0	0	0	115.6
505	R	33.7	Very low	46	Very low	215 Å²	215	130.3 Å²	130.3	81%	0.811	71%	0.707	S	S	*	*	S	Bend	trans	-95.2	139.7	174.5	-169.1	175.7	-173.9	-174.3	1.9	109.6	D503 T507	D503-R505 PolarHBondContact O-N 3.08Å; R505-T507 PolarHBondContact O-N 3.19Å
506	P	32.9	Very low	48.9	Very low	122 Å²	122	128.7 Å²	128.7	79%	0.792	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-57.3	117.8	174.8	-23.9	33.8	0	0	0	110.5	A508	P506-A508 PolarHBondContact O-N 3.4Å
507	T	38	Very low	52.1	Low	123 Å²	123	125.5 Å²	125.5	76%	0.755	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-59.8	130.7	170.8	46.6	0	0	0	0	108.6	R505 H509	R505-T507 PolarHBondContact O-N 3.19Å; T507-H509 PolarHBondContact O-N 3.09Å
508	A	42.5	Very low	55.2	Low	91 Å²	91	116.8 Å²	116.8	75%	0.752	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-53.9	126.4	175.2	0	0	0	0	0	109	P506 V510	P506-A508 PolarHBondContact O-N 3.4Å; A508-V510 PolarHBondContact O-N 2.82Å
509	H	46.9	Very low	58.2	Low	164 Å²	164	111.1 Å²	111.1	76%	0.759	59%	0.586	S	S	*	*			trans	-52.2	104.3	-172.6	-84.8	-83.7	0	0	0	110.9	T507 R511 P691	T507-H509 PolarHBondContact O-N 3.09Å; H509-R511 PolarHBondContact O-N 3.29Å; H509-R511 VanDerWaalsContact O-N 3.14Å; H509-P691 HydrophobicContact CB-CG 4.35Å
510	V	53.5	Low	61	Low	132 Å²	132	110.4 Å²	110.4	80%	0.8	58%	0.576	S	S	*	*			trans	-61.1	117.1	170.4	178.7	0	0	0	0	105.9	A508 S512	A508-V510 PolarHBondContact O-N 2.82Å; V510-S512 PolarHBondContact O-N 2.97Å
511	R	58.1	Low	64.1	Low	171 Å²	171	100.4 Å²	100.4	65%	0.645	53%	0.532	S	S	*	.			trans	-58.7	124.2	172.2	-77.4	-176.8	168.4	-153.3	-7.9	107.4	H509 E513	H509-R511 PolarHBondContact O-N 3.29Å; H509-R511 VanDerWaalsContact O-N 3.14Å; R511-E513 PolarHBondContact O-N 3.13Å
512	S	67.8	Low	66.8	Low	37 Å²	37	95 Å²	95	26%	0.259	51%	0.505	S	S	.	.			trans	-45.8	130.8	168.1	50.9	0	0	0	0	110.3	V510 S689	V510-S512 PolarHBondContact O-N 2.97Å; S512-S689 WeakPolarHBondContact CB-OG 2.94Å; S512-S689 WeakPolarHBondContact OG-CB 3.43Å; S512-S689 PolarHBondContact OG-O 2.88Å; S512-S689 VanDerWaalsContact OG-O 3.09Å; S512-S689 PolarHBondContact OG-OG 3.37Å
513	E	81.9	Confident	69.3	Low	153 Å²	153	92.4 Å²	92.4	72%	0.715	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-64.3	132.1	174.6	-169.8	169.4	-166.8	0	0	109.2	R511 L519	R511-E513 PolarHBondContact O-N 3.13Å; E513-L519 HydrophobicContact CG-CD1 4.19Å
514	P	87.6	Confident	71.4	Confident	15 Å²	15	87.6 Å²	87.6	10%	0.097	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-59.2	145	178.9	-18.4	26.8	0	0	0	111.3	E516 L518 L519 Y648 Y686	P514-E516 PolarHBondContact O-N 2.83Å; P514-L518 HydrophobicContact CB-CB 4.39Å; P514-L519 HydrophobicContact CB-CD2 3.95Å; P514-L519 HydrophobicContact CB-CG 4.28Å; P514-L519 HydrophobicContact CG-CD2 3.91Å; P514-L519 WeakPolarHBondContact O-CD1 3.33Å; P514-L519 WeakPolarHBondContact O-CG 3.35Å; P514-Y648 HydrophobicContact CB-CD1 4.2Å; P514-Y648 HydrophobicContact CB-CD2 4.46Å; P514-Y648 HydrophobicContact CB-CE1 4.27Å; P514-Y648 HydrophobicContact CB-CG 4.3Å; P514-Y648 HydrophobicContact CG-CD1 4.14Å; P514-Y648 HydrophobicContact CG-CD2 3.78Å; P514-Y648 HydrophobicContact CG-CE1 3.91Å; P514-Y648 HydrophobicContact CG-CE2 3.51Å; P514-Y648 HydrophobicContact CG-CG 4.09Å; P514-Y686 HydrophobicContact CB-CD2 3.84Å; P514-Y686 HydrophobicContact CB-CE2 3.95Å; P514-Y686 HydrophobicContact CG-CD2 4.13Å; P514-Y686 HydrophobicContact CG-CE2 3.71Å
515	P	92.2	Very high	73.6	Confident	27 Å²	27	84 Å²	84	18%	0.175	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-53.7	138.8	177.1	-28.4	36.9	0	0	0	111.8	L517 L518 L519 A682 D685	P515-L517 CarbonylContact O-C 3.51Å; P515-L517 PolarHBondContact O-N 3.22Å; P515-L518 WeakPolarHBondContact O-CA 3.39Å; P515-L518 PolarHBondContact O-N 2.76Å; P515-L519 PolarHBondContact O-N 2.84Å; P515-A682 HydrophobicContact CB-CB 4.21Å; P515-D685 HydrophobicContact CG-CB 4.23Å; P515-D685 WeakPolarHBondContact CG-OD2 3.21Å
516	E	93.3	Very high	74.8	Confident	101 Å²	101	78 Å²	78	47%	0.472	41%	0.414	S	S	.	.	H	α-helix	trans	-56.4	-21.9	-172.7	167.8	55.4	-158.6	0	0	113.4	P514 L519 R520 R523	P514-E516 PolarHBondContact O-N 2.83Å; E516-L519 PolarHBondContact O-N 3.3Å; E516-R520 WeakPolarHBondContact O-CB 3.41Å; E516-R520 PolarHBondContact O-N 3.19Å; E516-R523 IonicContact OE1-CZ 3.61Å; E516-R523 IonicContact OE1-NH1 2.7Å; E516-R523 PolarHBondContact OE1-NH1 3Å; E516-R523 IonicContact OE1-NH2 3.6Å; E516-R523 IonicContact OE2-CZ 2.72Å; E516-R523 IonicContact OE2-NH1 3.8Å; E516-R523 PolarHBondContact OE2-NH1 2.98Å; E516-R523 IonicContact OE2-NH2 3.91Å; E516-R523 PolarHBondContact OE2-NH2 3.18Å
517	L	95.2	Very high	76.1	Confident	45 Å²	45	74.4 Å²	74.4	24%	0.236	40%	0.399	C	S	.	.	H	α-helix	trans	-62.5	-48.4	168.4	-177.6	58.6	0	0	0	112.1	P515 R520 L521 F570 R678 A682	P515-L517 CarbonylContact O-C 3.51Å; P515-L517 PolarHBondContact O-N 3.22Å; L517-R520 PolarHBondContact O-N 3.1Å; L517-L521 HydrophobicContact CD1-CD1 3.85Å; L517-L521 HydrophobicContact CD1-CG 4.03Å; L517-L521 HydrophobicContact CG-CD1 3.75Å; L517-L521 HydrophobicContact CG-CG 4.38Å; L517-L521 WeakPolarHBondContact O-CB 3.48Å; L517-L521 WeakPolarHBondContact O-CD1 3.32Å; L517-L521 WeakPolarHBondContact O-CG 3.26Å; L517-L521 PolarHBondContact O-N 3.06Å; L517-F570 HydrophobicContact CD1-CE2 4.44Å; L517-F570 HydrophobicContact CD1-CZ 4.3Å; L517-R678 HydrophobicContact CD2-CB 3.87Å; L517-R678 WeakPolarHBondContact CD2-O 3.35Å; L517-A682 HydrophobicContact CB-CB 4.13Å; L517-A682 HydrophobicContact CD2-CB 4.06Å; L517-A682 HydrophobicContact CG-CB 4.42Å
518	L	94.4	Very high	77.3	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-37.7	175.5	-62.4	-174.3	0	0	0	111.8	P514 P515 L521 S522 Y648 A652 A682 Y686	P514-L518 HydrophobicContact CB-CB 4.39Å; P515-L518 WeakPolarHBondContact O-CA 3.39Å; P515-L518 PolarHBondContact O-N 2.76Å; L518-L521 PolarHBondContact O-N 3.17Å; L518-S522 WeakPolarHBondContact O-CB 3.41Å; L518-S522 PolarHBondContact O-N 3.26Å; L518-Y648 HydrophobicContact CB-CD1 4.31Å; L518-A652 HydrophobicContact CD2-CB 4.34Å; L518-A682 HydrophobicContact CD2-CB 4.2Å; L518-A682 HydrophobicContact CG-CB 4.06Å; L518-Y686 HydrophobicContact CD1-CD1 4.28Å; L518-Y686 HydrophobicContact CD1-CG 3.99Å
519	L	93.5	Very high	78.6	Confident	20 Å²	20	71.5 Å²	71.5	11%	0.105	38%	0.376	C	S	.	.	H	α-helix	trans	-59.8	-53	173.9	-62.5	179.3	0	0	0	110.6	E513 P514 P515 E516 L521 S522 R523 Y648	E513-L519 HydrophobicContact CG-CD1 4.19Å; P514-L519 HydrophobicContact CB-CD2 3.95Å; P514-L519 HydrophobicContact CB-CG 4.28Å; P514-L519 HydrophobicContact CG-CD2 3.91Å; P514-L519 WeakPolarHBondContact O-CD1 3.33Å; P514-L519 WeakPolarHBondContact O-CG 3.35Å; P515-L519 PolarHBondContact O-N 2.84Å; E516-L519 PolarHBondContact O-N 3.3Å; L519-L521 VanDerWaalsContact C-N 3.34Å; L519-L521 PolarHBondContact O-N 3.32Å; L519-S522 PolarHBondContact O-N 3Å; L519-S522 VanDerWaalsContact O-N 3.12Å; L519-S522 PolarHBondContact O-OG 2.77Å; L519-R523 WeakPolarHBondContact O-CG 3.19Å; L519-R523 PolarHBondContact O-N 3.4Å; L519-Y648 HydrophobicContact CD2-CE1 3.95Å
520	R	93.3	Very high	80.1	Confident	145 Å²	145	70.5 Å²	70.5	55%	0.547	37%	0.369	S	S	.	.	H	α-helix	trans	-58.2	-41	176.7	179.9	178.6	174.8	-175	-1.2	112.9	E516 L517 R523	E516-R520 WeakPolarHBondContact O-CB 3.41Å; E516-R520 PolarHBondContact O-N 3.19Å; L517-R520 PolarHBondContact O-N 3.1Å; R520-R523 PolarHBondContact O-N 3.23Å
521	L	94.1	Very high	81.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-69.1	-37	176.1	-66.6	165.8	0	0	0	111.1	L517 L518 L519 R523 S524 P569 V651 Y655 V679	L517-L521 HydrophobicContact CD1-CD1 3.85Å; L517-L521 HydrophobicContact CD1-CG 4.03Å; L517-L521 HydrophobicContact CG-CD1 3.75Å; L517-L521 HydrophobicContact CG-CG 4.38Å; L517-L521 WeakPolarHBondContact O-CB 3.48Å; L517-L521 WeakPolarHBondContact O-CD1 3.32Å; L517-L521 WeakPolarHBondContact O-CG 3.26Å; L517-L521 PolarHBondContact O-N 3.06Å; L518-L521 PolarHBondContact O-N 3.17Å; L519-L521 VanDerWaalsContact C-N 3.34Å; L519-L521 PolarHBondContact O-N 3.32Å; L521-R523 VanDerWaalsContact C-N 3.3Å; L521-R523 PolarHBondContact O-N 2.99Å; L521-S524 VanDerWaalsContact O-CB 3.31Å; L521-S524 WeakPolarHBondContact O-CB 3.27Å; L521-S524 PolarHBondContact O-N 3.17Å; L521-S524 PolarHBondContact O-OG 3.5Å; L521-P569 HydrophobicContact CD2-CB 4.27Å; L521-P569 HydrophobicContact CD2-CG 3.96Å; L521-V651 HydrophobicContact CB-CG1 3.52Å; L521-Y655 HydrophobicContact CB-CD2 4.31Å; L521-Y655 HydrophobicContact CB-CE2 3.87Å; L521-Y655 HydrophobicContact CD2-CD1 4Å; L521-Y655 HydrophobicContact CD2-CD2 4.16Å; L521-Y655 HydrophobicContact CD2-CE1 3.53Å; L521-Y655 HydrophobicContact CD2-CE2 3.72Å; L521-Y655 HydrophobicContact CD2-CG 4.3Å; L521-Y655 HydrophobicContact CG-CE2 4.28Å; L521-V679 HydrophobicContact CD1-CG2 3.81Å
522	S	91.8	Very high	82.8	Confident	13 Å²	13	59.9 Å²	59.9	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-32.4	174.5	81.6	0	0	0	0	112.7	L518 L519 S524 L525 R647	L518-S522 WeakPolarHBondContact O-CB 3.41Å; L518-S522 PolarHBondContact O-N 3.26Å; L519-S522 PolarHBondContact O-N 3Å; L519-S522 VanDerWaalsContact O-N 3.12Å; L519-S522 PolarHBondContact O-OG 2.77Å; S522-S524 PolarHBondContact O-N 2.85Å; S522-L525 PolarHBondContact O-N 3.08Å; S522-R647 PolarHBondContact OG-NH2 3.4Å
523	R	89	Confident	83.7	Confident	132 Å²	132	65.9 Å²	65.9	50%	0.498	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-21.9	172	-63.6	171.1	-158.8	133.2	8.6	112.6	E516 L519 R520 L521 L525 S526	E516-R523 IonicContact OE1-CZ 3.61Å; E516-R523 IonicContact OE1-NH1 2.7Å; E516-R523 PolarHBondContact OE1-NH1 3Å; E516-R523 IonicContact OE1-NH2 3.6Å; E516-R523 IonicContact OE2-CZ 2.72Å; E516-R523 IonicContact OE2-NH1 3.8Å; E516-R523 PolarHBondContact OE2-NH1 2.98Å; E516-R523 IonicContact OE2-NH2 3.91Å; E516-R523 PolarHBondContact OE2-NH2 3.18Å; L519-R523 WeakPolarHBondContact O-CG 3.19Å; L519-R523 PolarHBondContact O-N 3.4Å; R520-R523 PolarHBondContact O-N 3.23Å; L521-R523 VanDerWaalsContact C-N 3.3Å; L521-R523 PolarHBondContact O-N 2.99Å; R523-L525 VanDerWaalsContact C-N 3.26Å; R523-L525 PolarHBondContact O-N 3.03Å; R523-S526 PolarHBondContact O-OG 3.16Å
524	S	83.5	Confident	84	Confident	39 Å²	39	61.3 Å²	61.3	27%	0.273	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-17.2	172.9	76.1	0	0	0	0	114.2	L521 S522 W564 Y655	L521-S524 VanDerWaalsContact O-CB 3.31Å; L521-S524 WeakPolarHBondContact O-CB 3.27Å; L521-S524 PolarHBondContact O-N 3.17Å; L521-S524 PolarHBondContact O-OG 3.5Å; S522-S524 PolarHBondContact O-N 2.85Å; S524-W564 PolarHBondContact OG-NE1 2.89Å; S524-Y655 WeakPolarHBondContact CB-OH 3.27Å; S524-Y655 PolarHBondContact OG-OH 3.39Å
525	L	82	Confident	84.1	Confident	18 Å²	18	60.7 Å²	60.7	9%	0.094	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	19	-177.2	-71.7	150	0	0	0	112.5	S522 R523 G527 D528 W564 Y650 V651 K654	S522-L525 PolarHBondContact O-N 3.08Å; R523-L525 VanDerWaalsContact C-N 3.26Å; R523-L525 PolarHBondContact O-N 3.03Å; L525-G527 PolarHBondContact O-N 3.41Å; L525-D528 WeakPolarHBondContact O-CB 3.45Å; L525-D528 PolarHBondContact O-N 2.86Å; L525-W564 HydrophobicContact CD2-CG 4.41Å; L525-Y650 HydrophobicContact CD1-CE1 4.14Å; L525-Y650 HydrophobicContact CD2-CE1 4.38Å; L525-V651 HydrophobicContact CD1-CB 4.44Å; L525-V651 HydrophobicContact CD1-CG2 3.68Å; L525-K654 HydrophobicContact CD1-CD 4.46Å; L525-K654 HydrophobicContact CD2-CD 3.94Å
526	S	59	Low	83.9	Confident	91 Å²	91	61 Å²	61	64%	0.636	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-7.6	-173.6	-61.7	0	0	0	0	115.6	R523	R523-S526 PolarHBondContact O-OG 3.16Å
527	G	59.7	Low	83.8	Confident	46 Å²	46	59.1 Å²	59.1	47%	0.474	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-20.6	171.4	0	0	0	0	0	114.3	L525 S529 K530	L525-G527 PolarHBondContact O-N 3.41Å; G527-S529 PolarHBondContact O-N 3.43Å; G527-S529 VanDerWaalsContact O-N 3.13Å; G527-K530 PolarHBondContact O-N 3.33Å
528	D	64.4	Low	83.6	Confident	32 Å²	32	59.1 Å²	59.1	17%	0.171	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-66.7	-22.4	-167.7	-74.2	-2.1	0	0	0	113.4	L525 K530 W531 R560 Y650	L525-D528 WeakPolarHBondContact O-CB 3.45Å; L525-D528 PolarHBondContact O-N 2.86Å; D528-K530 PolarHBondContact O-N 2.97Å; D528-K530 VanDerWaalsContact O-N 3.15Å; D528-W531 VanDerWaalsContact O-CB 3.3Å; D528-W531 WeakPolarHBondContact O-CB 3.43Å; D528-W531 PolarHBondContact O-N 2.96Å; D528-R560 IonicContact OD1-NH2 2.96Å; D528-R560 PolarHBondContact OD1-NH2 2.92Å; D528-Y650 PolarHBondContact OD2-OH 3.33Å
529	S	68.7	Low	83.4	Confident	120 Å²	120	59.1 Å²	59.1	84%	0.839	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-61.6	-17.7	172.5	-52.6	0	0	0	0	114.3	G527	G527-S529 PolarHBondContact O-N 3.43Å; G527-S529 VanDerWaalsContact O-N 3.13Å
530	K	79	Confident	83.3	Confident	144 Å²	144	63.5 Å²	63.5	63%	0.626	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-107.6	-3.9	173.6	-69	-174	177.9	-179.3	0	113.9	G527 D528 Q532 Y533 D534	G527-K530 PolarHBondContact O-N 3.33Å; D528-K530 PolarHBondContact O-N 2.97Å; D528-K530 VanDerWaalsContact O-N 3.15Å; K530-Q532 PolarHBondContact O-N 3.16Å; K530-Y533 WeakPolarHBondContact O-CB 3.42Å; K530-Y533 PolarHBondContact O-N 3.03Å; K530-D534 VanDerWaalsContact CB-OD2 3.29Å; K530-D534 WeakPolarHBondContact CB-OD2 3.35Å; K530-D534 PolarHBondContact O-N 3.44Å
531	W	86.6	Confident	83.1	Confident	1 Å²	1	62.7 Å²	62.7	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-47.1	-45.1	-173.3	177.2	103.6	0	0	0	112.9	D528 Y533 D534 F535 E557 R560 F595 H598	D528-W531 VanDerWaalsContact O-CB 3.3Å; D528-W531 WeakPolarHBondContact O-CB 3.43Å; D528-W531 PolarHBondContact O-N 2.96Å; W531-Y533 PolarHBondContact O-N 2.89Å; W531-D534 PolarHBondContact O-N 3.44Å; W531-F535 HydrophobicContact CD2-CB 4.28Å; W531-F535 HydrophobicContact CE3-CB 4.48Å; W531-F535 HydrophobicContact CH2-CB 4.18Å; W531-F535 AromaticContact CH2-CD1 3.84Å; W531-F535 HydrophobicContact CH2-CD1 3.84Å; W531-F535 HydrophobicContact CH2-CD2 4.31Å; W531-F535 HydrophobicContact CH2-CE1 4.36Å; W531-F535 AromaticContact CH2-CG 3.83Å; W531-F535 HydrophobicContact CH2-CG 3.83Å; W531-F535 HydrophobicContact CZ2-CB 3.99Å; W531-F535 HydrophobicContact CZ2-CD1 4.21Å; W531-F535 AromaticContact CZ2-CD2 3.84Å; W531-F535 HydrophobicContact CZ2-CD2 3.84Å; W531-F535 HydrophobicContact CZ2-CE2 4.43Å; W531-F535 AromaticContact CZ2-CG 3.72Å; W531-F535 HydrophobicContact CZ2-CG 3.72Å; W531-F535 HydrophobicContact CZ3-CB 4.42Å; W531-F535 HydrophobicContact CZ3-CD1 4.42Å; W531-F535 HydrophobicContact CZ3-CG 4.47Å; W531-F535 WeakPolarHBondContact O-CB 3.31Å; W531-F535 PolarHBondContact O-N 3.42Å; W531-E557 PolarHBondContact NE1-OE2 2.8Å; W531-R560 VanDerWaalsContact CD1-CZ 3.49Å; W531-F595 HydrophobicContact CH2-CD1 4.42Å; W531-F595 HydrophobicContact CH2-CE1 4.11Å; W531-F595 HydrophobicContact CH2-CZ 4.47Å; W531-F595 HydrophobicContact CZ2-CD1 4.25Å; W531-F595 AromaticContact CZ2-CE1 3.82Å; W531-F595 HydrophobicContact CZ2-CE1 3.82Å; W531-F595 HydrophobicContact CZ2-CE2 4.11Å; W531-F595 AromaticContact CZ2-CZ 3.75Å; W531-F595 HydrophobicContact CZ2-CZ 3.75Å; W531-H598 AromaticContact CD1-CD2 3.62Å; W531-H598 AromaticContact CD1-CE1 3.87Å; W531-H598 AromaticContact CD1-NE2 3.13Å; W531-H598 HydrophobicContact CD2-CB 4.49Å; W531-H598 AromaticContact CD2-CD2 3.39Å; W531-H598 AromaticContact CD2-CE1 3.92Å; W531-H598 AromaticContact CD2-CG 3.72Å; W531-H598 AromaticContact CD2-NE2 3.55Å; W531-H598 AromaticContact CE2-CD2 3.46Å; W531-H598 VanDerWaalsContact CE2-CD2 3.46Å; W531-H598 AromaticContact CE2-NE2 3.86Å; W531-H598 HydrophobicContact CE3-CB 4.03Å; W531-H598 AromaticContact CE3-CD2 3.83Å; W531-H598 AromaticContact CE3-CG 3.66Å; W531-H598 AromaticContact CE3-ND1 4Å; W531-H598 AromaticContact CG-CD2 3.66Å; W531-H598 AromaticContact CG-CE1 3.54Å; W531-H598 AromaticContact CG-NE2 3.23Å; W531-H598 HydrophobicContact CH2-CB 4.39Å; W531-H598 HydrophobicContact CZ3-CB 3.99Å; W531-H598 AromaticContact NE1-CD2 3.64Å; W531-H598 AromaticContact NE1-NE2 3.64Å
532	Q	83.2	Confident	82.9	Confident	79 Å²	79	63.3 Å²	63.3	37%	0.369	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-41	-178.8	-174.7	-171.3	71	0	0	112.3	K530 L536 N603	K530-Q532 PolarHBondContact O-N 3.16Å; Q532-L536 HydrophobicContact CG-CD1 3.98Å; Q532-L536 WeakPolarHBondContact O-CB 3.48Å; Q532-L536 WeakPolarHBondContact O-CD1 3.5Å; Q532-L536 WeakPolarHBondContact O-CG 3.43Å; Q532-L536 PolarHBondContact O-N 3.1Å; Q532-L536 VanDerWaalsContact O-N 3.08Å; Q532-N603 VanDerWaalsContact CG-O 3.31Å; Q532-N603 WeakPolarHBondContact CG-O 3.4Å; Q532-N603 PolarHBondContact NE2-O 3.06Å
533	Y	85.6	Confident	82.6	Confident	162 Å²	162	66 Å²	66	64%	0.635	35%	0.345	S	S	*	.	H	α-helix	trans	-67.8	-49.8	178.4	179.5	-91.2	0	0	0	110.5	K530 W531 F535 L536 D537	K530-Y533 WeakPolarHBondContact O-CB 3.42Å; K530-Y533 PolarHBondContact O-N 3.03Å; W531-Y533 PolarHBondContact O-N 2.89Å; Y533-F535 PolarHBondContact O-N 2.66Å; Y533-L536 PolarHBondContact O-N 3.03Å; Y533-D537 WeakPolarHBondContact O-CB 3.12Å; Y533-D537 PolarHBondContact O-N 3.43Å
534	D	88.1	Confident	82.5	Confident	58 Å²	58	61.4 Å²	61.4	31%	0.31	33%	0.333	S	S	.	.	H	α-helix	trans	-65.5	-42.1	-176.4	-55.6	-35.1	0	0	0	111.3	K530 W531 D537 H538	K530-D534 VanDerWaalsContact CB-OD2 3.29Å; K530-D534 WeakPolarHBondContact CB-OD2 3.35Å; K530-D534 PolarHBondContact O-N 3.44Å; W531-D534 PolarHBondContact O-N 3.44Å; D534-D537 PolarHBondContact O-N 3.2Å; D534-H538 WeakPolarHBondContact O-CB 3.26Å; D534-H538 PolarHBondContact O-N 3.16Å
535	F	90.2	Very high	82.8	Confident	1 Å²	1	64.2 Å²	64.2	0%	0.004	35%	0.345	C	S	.	.	H	α-helix	trans	-64	-40.8	174.6	178	-95.7	0	0	0	112.5	W531 Y533 S539 F595 V608 V618 V621	W531-F535 HydrophobicContact CD2-CB 4.28Å; W531-F535 HydrophobicContact CE3-CB 4.48Å; W531-F535 HydrophobicContact CH2-CB 4.18Å; W531-F535 AromaticContact CH2-CD1 3.84Å; W531-F535 HydrophobicContact CH2-CD1 3.84Å; W531-F535 HydrophobicContact CH2-CD2 4.31Å; W531-F535 HydrophobicContact CH2-CE1 4.36Å; W531-F535 AromaticContact CH2-CG 3.83Å; W531-F535 HydrophobicContact CH2-CG 3.83Å; W531-F535 HydrophobicContact CZ2-CB 3.99Å; W531-F535 HydrophobicContact CZ2-CD1 4.21Å; W531-F535 AromaticContact CZ2-CD2 3.84Å; W531-F535 HydrophobicContact CZ2-CD2 3.84Å; W531-F535 HydrophobicContact CZ2-CE2 4.43Å; W531-F535 AromaticContact CZ2-CG 3.72Å; W531-F535 HydrophobicContact CZ2-CG 3.72Å; W531-F535 HydrophobicContact CZ3-CB 4.42Å; W531-F535 HydrophobicContact CZ3-CD1 4.42Å; W531-F535 HydrophobicContact CZ3-CG 4.47Å; W531-F535 WeakPolarHBondContact O-CB 3.31Å; W531-F535 PolarHBondContact O-N 3.42Å; Y533-F535 PolarHBondContact O-N 2.66Å; F535-S539 WeakPolarHBondContact O-CB 3.48Å; F535-S539 PolarHBondContact O-N 2.98Å; F535-S539 PolarHBondContact O-OG 3.21Å; F535-F595 HydrophobicContact CD2-CZ 4.23Å; F535-F595 HydrophobicContact CE2-CE1 4.09Å; F535-F595 AromaticContact CE2-CZ 3.72Å; F535-F595 HydrophobicContact CE2-CZ 3.72Å; F535-F595 HydrophobicContact CZ-CE1 4.15Å; F535-F595 HydrophobicContact CZ-CZ 4.24Å; F535-V608 HydrophobicContact CE1-CG2 3.91Å; F535-V618 HydrophobicContact CE1-CG1 3.78Å; F535-V618 HydrophobicContact CE1-CG2 3.94Å; F535-V618 HydrophobicContact CZ-CG1 3.92Å; F535-V618 HydrophobicContact CZ-CG2 4.49Å; F535-V621 HydrophobicContact CE2-CG1 4.15Å; F535-V621 HydrophobicContact CZ-CB 4.45Å; F535-V621 HydrophobicContact CZ-CG1 4.3Å; F535-V621 HydrophobicContact CZ-CG2 4.37Å
536	L	88.5	Confident	83.3	Confident	34 Å²	34	66.1 Å²	66.1	18%	0.178	36%	0.355	C	S	.	.	H	α-helix	trans	-68.7	-43.5	176.7	-81.2	172.2	0	0	0	112.1	Q532 Y533 S539 K540 P605 V608	Q532-L536 HydrophobicContact CG-CD1 3.98Å; Q532-L536 WeakPolarHBondContact O-CB 3.48Å; Q532-L536 WeakPolarHBondContact O-CD1 3.5Å; Q532-L536 WeakPolarHBondContact O-CG 3.43Å; Q532-L536 PolarHBondContact O-N 3.1Å; Q532-L536 VanDerWaalsContact O-N 3.08Å; Y533-L536 PolarHBondContact O-N 3.03Å; L536-S539 PolarHBondContact O-N 3.44Å; L536-K540 VanDerWaalsContact O-CB 3.3Å; L536-K540 WeakPolarHBondContact O-CB 3.48Å; L536-K540 WeakPolarHBondContact O-CD 3.36Å; L536-K540 WeakPolarHBondContact O-CG 3.38Å; L536-K540 PolarHBondContact O-N 2.83Å; L536-P605 HydrophobicContact CD2-CG 3.96Å; L536-P605 HydrophobicContact CG-CG 4.32Å; L536-V608 HydrophobicContact CD2-CB 4.32Å; L536-V608 HydrophobicContact CD2-CG1 3.85Å; L536-V608 HydrophobicContact CD2-CG2 3.76Å
537	D	90.4	Very high	84.9	Confident	61 Å²	61	63.6 Å²	63.6	33%	0.326	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-46.3	179.1	175.6	70.9	0	0	0	111.5	Y533 D534 K541	Y533-D537 WeakPolarHBondContact O-CB 3.12Å; Y533-D537 PolarHBondContact O-N 3.43Å; D534-D537 PolarHBondContact O-N 3.2Å; D537-K541 WeakPolarHBondContact O-CD 3.37Å; D537-K541 WeakPolarHBondContact O-CG 3.5Å; D537-K541 WeakPolarHBondContact OD1-CE 3.06Å; D537-K541 IonicContact OD1-NZ 3.37Å; D537-K541 PolarHBondContact OD1-NZ 2.81Å; D537-K541 IonicContact OD2-NZ 3.74Å; D537-K541 PolarHBondContact OD2-NZ 3.2Å
538	H	91.4	Very high	86.5	Confident	45 Å²	45	62.5 Å²	62.5	21%	0.208	32%	0.319	C	S	.	.	H	α-helix	trans	-58.4	-53.8	172.2	176.1	81.5	0	0	0	111.4	D534 K540 K541 H556	D534-H538 WeakPolarHBondContact O-CB 3.26Å; D534-H538 PolarHBondContact O-N 3.16Å; H538-K540 VanDerWaalsContact C-N 3.34Å; H538-K540 PolarHBondContact O-N 3.09Å; H538-K541 PolarHBondContact O-N 3.46Å; H538-K541 VanDerWaalsContact O-N 3.11Å; H538-H556 AromaticContact CD2-CG 3.9Å; H538-H556 AromaticContact CE1-CD2 3.75Å; H538-H556 AromaticContact CE1-CG 3.89Å; H538-H556 AromaticContact CG-CD2 3.68Å; H538-H556 AromaticContact CG-CG 3.75Å; H538-H556 AromaticContact CG-NE2 3.94Å; H538-H556 AromaticContact ND1-CD2 3.33Å; H538-H556 PolarHBondContact ND1-CD2 3.21Å; H538-H556 VanDerWaalsContact ND1-CD2 3.33Å; H538-H556 AromaticContact ND1-CG 3.74Å; H538-H556 AromaticContact ND1-NE2 3.87Å
539	S	90.4	Very high	87.9	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-68.5	-29.8	-172.2	-58.7	0	0	0	0	113.3	F535 L536 K541 L542 S553 L610	F535-S539 WeakPolarHBondContact O-CB 3.48Å; F535-S539 PolarHBondContact O-N 2.98Å; F535-S539 PolarHBondContact O-OG 3.21Å; L536-S539 PolarHBondContact O-N 3.44Å; S539-K541 VanDerWaalsContact C-N 3.27Å; S539-K541 PolarHBondContact O-N 3.48Å; S539-L542 PolarHBondContact O-N 2.72Å; S539-S553 PolarHBondContact OG-OG 2.68Å; S539-L610 WeakPolarHBondContact O-CD2 3.37Å
540	K	89.8	Confident	89.2	Confident	112 Å²	112	55.8 Å²	55.8	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-64.8	-28.7	173.5	-78.3	167	-174.6	173.5	0	113.1	L536 H538 L542 V608 E611	L536-K540 VanDerWaalsContact O-CB 3.3Å; L536-K540 WeakPolarHBondContact O-CB 3.48Å; L536-K540 WeakPolarHBondContact O-CD 3.36Å; L536-K540 WeakPolarHBondContact O-CG 3.38Å; L536-K540 PolarHBondContact O-N 2.83Å; H538-K540 VanDerWaalsContact C-N 3.34Å; H538-K540 PolarHBondContact O-N 3.09Å; K540-L542 PolarHBondContact O-N 3Å; K540-V608 HydrophobicContact CG-CG1 3.76Å; K540-E611 WeakPolarHBondContact O-CB 3.47Å; K540-E611 PolarHBondContact O-N 2.84Å; K540-E611 VanDerWaalsContact O-N 3.08Å
541	K	90.6	Very high	90	Very high	129 Å²	129	49.2 Å²	49.2	56%	0.561	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	2.5	-178.4	-67	166.1	-174.7	170.2	0	113.6	D537 H538 S539	D537-K541 WeakPolarHBondContact O-CD 3.37Å; D537-K541 WeakPolarHBondContact O-CG 3.5Å; D537-K541 WeakPolarHBondContact OD1-CE 3.06Å; D537-K541 IonicContact OD1-NZ 3.37Å; D537-K541 PolarHBondContact OD1-NZ 2.81Å; D537-K541 IonicContact OD2-NZ 3.74Å; D537-K541 PolarHBondContact OD2-NZ 3.2Å; H538-K541 PolarHBondContact O-N 3.46Å; H538-K541 VanDerWaalsContact O-N 3.11Å; S539-K541 VanDerWaalsContact C-N 3.27Å; S539-K541 PolarHBondContact O-N 3.48Å
542	L	88.7	Confident	90.4	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.068	26%	0.262	C	S	.	.			trans	-89.5	124.5	177	-55.1	175.4	0	0	0	109.8	S539 K540 A549 Q552 L610 E611	S539-L542 PolarHBondContact O-N 2.72Å; K540-L542 PolarHBondContact O-N 3Å; L542-A549 HydrophobicContact CB-CB 4.46Å; L542-A549 HydrophobicContact CD1-CB 4.04Å; L542-Q552 HydrophobicContact CD1-CB 4.27Å; L542-Q552 HydrophobicContact CD2-CB 4.02Å; L542-L610 HydrophobicContact CB-CD2 4.28Å; L542-L610 WeakPolarHBondContact O-CB 3.34Å; L542-E611 PolarHBondContact O-N 3.28Å; L542-E611 VanDerWaalsContact O-N 3.08Å
543	S	86.1	Confident	91	Very high	69 Å²	69	49 Å²	49	48%	0.483	25%	0.245	S	C	.	.			trans	-111.3	6.9	175.9	27.4	0	0	0	0	114.2	E611 N612	S543-E611 WeakPolarHBondContact CB-OE2 3.48Å; S543-E611 PolarHBondContact OG-OE2 2.96Å; S543-N612 PolarHBondContact O-ND2 3.36Å
544	C	86.7	Confident	91.5	Very high	36 Å²	36	41.2 Å²	41.2	24%	0.243	21%	0.214	C	C	.	.	S	Bend	trans	-81.8	178.9	177.1	61.8	0	0	0	0	113.2	A548 A549 Q552 N612	C544-A548 HydrophobicContact CB-CB 3.9Å; C544-A549 PolarHBondContact SG-N 3.17Å; C544-A549 VanDerWaalsContact SG-N 3.38Å; C544-Q552 PolarHBondContact SG-NE2 3.26Å; C544-N612 PolarHBondContact O-ND2 3Å
545	D	89.9	Confident	91.8	Very high	98 Å²	98	40 Å²	40	52%	0.524	21%	0.208	S	C	.	.			trans	-69.2	156.1	176.6	79.7	59.5	0	0	0	112.6	F547 A548 A549	D545-F547 PolarHBondContact O-N 3.34Å; D545-F547 WeakPolarHBondContact OD1-CA 3.22Å; D545-F547 WeakPolarHBondContact OD1-CB 3.48Å; D545-F547 PolarHBondContact OD1-N 3.34Å; D545-A548 CarbonylContact O-C 3.46Å; D545-A548 PolarHBondContact O-N 3.15Å; D545-A548 PolarHBondContact OD1-N 3.45Å; D545-A548 VanDerWaalsContact OD1-N 3.09Å; D545-A549 WeakPolarHBondContact O-CB 3.49Å; D545-A549 PolarHBondContact O-N 3.02Å
546	N	91.7	Very high	92	Very high	58 Å²	58	42.5 Å²	42.5	31%	0.31	22%	0.219	S	C	.	.	H	α-helix	trans	-50.7	-31.2	-177.3	-85.9	-8	0	0	0	115.4	I550 R615	N546-I550 WeakPolarHBondContact O-CD1 3.36Å; N546-I550 WeakPolarHBondContact O-CG1 3.14Å; N546-I550 PolarHBondContact O-N 3.04Å; N546-I550 VanDerWaalsContact O-N 3.08Å; N546-R615 PolarHBondContact ND2-O 2.89Å
547	F	93.4	Very high	92.2	Very high	37 Å²	37	41 Å²	41	16%	0.162	21%	0.212	C	C	.	.	H	α-helix	trans	-80.1	-41.6	177.4	-177.6	-96.3	0	0	0	111.8	D545 A549 I550 C551 A625 Y720 L721 K724 H729 V730	D545-F547 PolarHBondContact O-N 3.34Å; D545-F547 WeakPolarHBondContact OD1-CA 3.22Å; D545-F547 WeakPolarHBondContact OD1-CB 3.48Å; D545-F547 PolarHBondContact OD1-N 3.34Å; F547-A549 PolarHBondContact O-N 2.73Å; F547-I550 PolarHBondContact O-N 3.44Å; F547-C551 WeakPolarHBondContact CE1-SG 3.49Å; F547-C551 PolarHBondContact O-N 3.47Å; F547-C551 PolarHBondContact O-SG 3.4Å; F547-A625 HydrophobicContact CD2-CB 4.16Å; F547-A625 HydrophobicContact CE2-CB 3.84Å; F547-Y720 HydrophobicContact CE2-CE1 4.39Å; F547-L721 HydrophobicContact CE2-CD2 4.02Å; F547-L721 HydrophobicContact CZ-CD2 3.95Å; F547-K724 HydrophobicContact CE1-CB 4.05Å; F547-K724 HydrophobicContact CE1-CD 4.49Å; F547-K724 HydrophobicContact CE1-CG 4.33Å; F547-K724 HydrophobicContact CE2-CB 4.49Å; F547-K724 HydrophobicContact CE2-CD 4.32Å; F547-K724 HydrophobicContact CE2-CG 4.02Å; F547-K724 HydrophobicContact CZ-CB 3.56Å; F547-K724 HydrophobicContact CZ-CD 4.03Å; F547-K724 HydrophobicContact CZ-CG 3.57Å; F547-H729 HydrophobicContact CD1-CB 4.13Å; F547-H729 HydrophobicContact CE1-CB 3.77Å; F547-H729 WeakPolarHBondContact CE1-O 3.05Å; F547-V730 HydrophobicContact CE1-CG2 4.13Å; F547-V730 HydrophobicContact CZ-CG2 4.19Å
548	A	92.7	Very high	92.5	Very high	23 Å²	23	38.1 Å²	38.1	19%	0.19	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-34.7	171.6	0	0	0	0	0	111.7	C544 D545 C551 Q552	C544-A548 HydrophobicContact CB-CB 3.9Å; D545-A548 CarbonylContact O-C 3.46Å; D545-A548 PolarHBondContact O-N 3.15Å; D545-A548 PolarHBondContact OD1-N 3.45Å; D545-A548 VanDerWaalsContact OD1-N 3.09Å; A548-C551 PolarHBondContact O-N 3.31Å; A548-Q552 PolarHBondContact O-N 2.86Å; A548-Q552 VanDerWaalsContact O-N 3.09Å; A548-Q552 PolarHBondContact O-NE2 3.29Å
549	A	94.5	Very high	92.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.9	-46.9	175.5	0	0	0	0	0	111.5	L542 C544 D545 F547 C551 Q552 S553 L610 L616	L542-A549 HydrophobicContact CB-CB 4.46Å; L542-A549 HydrophobicContact CD1-CB 4.04Å; C544-A549 PolarHBondContact SG-N 3.17Å; C544-A549 VanDerWaalsContact SG-N 3.38Å; D545-A549 WeakPolarHBondContact O-CB 3.49Å; D545-A549 PolarHBondContact O-N 3.02Å; F547-A549 PolarHBondContact O-N 2.73Å; A549-C551 VanDerWaalsContact C-N 3.28Å; A549-C551 PolarHBondContact O-N 3.27Å; A549-Q552 PolarHBondContact O-N 3.03Å; A549-Q552 VanDerWaalsContact O-N 3.13Å; A549-S553 PolarHBondContact O-N 2.87Å; A549-S553 PolarHBondContact O-OG 3.29Å; A549-L610 HydrophobicContact CB-CD1 3.86Å; A549-L616 HydrophobicContact CB-CD2 4.11Å
550	I	95.6	Very high	92.7	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.062	22%	0.221	C	C	.	.	H	α-helix	trans	-53.9	-46.4	172	-69.9	160.1	0	0	0	110.9	N546 F547 Q552 S553 I554 L616 V621 A625	N546-I550 WeakPolarHBondContact O-CD1 3.36Å; N546-I550 WeakPolarHBondContact O-CG1 3.14Å; N546-I550 PolarHBondContact O-N 3.04Å; N546-I550 VanDerWaalsContact O-N 3.08Å; F547-I550 PolarHBondContact O-N 3.44Å; I550-Q552 VanDerWaalsContact C-N 3.33Å; I550-Q552 PolarHBondContact O-N 3.45Å; I550-S553 PolarHBondContact O-N 3.07Å; I550-I554 HydrophobicContact CG2-CD1 3.54Å; I550-I554 HydrophobicContact CG2-CG1 4.34Å; I550-I554 WeakPolarHBondContact O-CD1 3.46Å; I550-I554 VanDerWaalsContact O-CG1 3.23Å; I550-I554 WeakPolarHBondContact O-CG1 3.47Å; I550-I554 PolarHBondContact O-N 3.09Å; I550-L616 HydrophobicContact CD1-CD1 4.18Å; I550-L616 HydrophobicContact CG1-CD1 3.54Å; I550-V621 HydrophobicContact CG1-CG2 4.09Å; I550-A625 HydrophobicContact CD1-CB 4.2Å; I550-A625 HydrophobicContact CG2-CB 4.05Å
551	C	96.1	Very high	92.9	Very high	6 Å²	6	39 Å²	39	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-39.8	179.5	-64.8	0	0	0	0	112.5	F547 A548 A549 I554 D555 L735	F547-C551 WeakPolarHBondContact CE1-SG 3.49Å; F547-C551 PolarHBondContact O-N 3.47Å; F547-C551 PolarHBondContact O-SG 3.4Å; A548-C551 PolarHBondContact O-N 3.31Å; A549-C551 VanDerWaalsContact C-N 3.28Å; A549-C551 PolarHBondContact O-N 3.27Å; C551-I554 PolarHBondContact O-N 3.19Å; C551-D555 PolarHBondContact O-N 2.72Å; C551-L735 HydrophobicContact CB-CD2 4.09Å
552	Q	94.5	Very high	93	Very high	74 Å²	74	33.7 Å²	33.7	35%	0.346	18%	0.177	S	C	.	.	H	α-helix	trans	-72.4	-40.6	178.2	-80.8	160.2	89.6	0	0	112.7	L542 C544 A548 A549 I550 I554 D555 H556	L542-Q552 HydrophobicContact CD1-CB 4.27Å; L542-Q552 HydrophobicContact CD2-CB 4.02Å; C544-Q552 PolarHBondContact SG-NE2 3.26Å; A548-Q552 PolarHBondContact O-N 2.86Å; A548-Q552 VanDerWaalsContact O-N 3.09Å; A548-Q552 PolarHBondContact O-NE2 3.29Å; A549-Q552 PolarHBondContact O-N 3.03Å; A549-Q552 VanDerWaalsContact O-N 3.13Å; I550-Q552 VanDerWaalsContact C-N 3.33Å; I550-Q552 PolarHBondContact O-N 3.45Å; Q552-I554 VanDerWaalsContact C-N 3.27Å; Q552-I554 PolarHBondContact O-N 2.83Å; Q552-D555 WeakPolarHBondContact O-CB 3.28Å; Q552-D555 PolarHBondContact O-N 3.47Å; Q552-H556 PolarHBondContact O-N 2.92Å
553	S	95	Very high	93.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-34.3	172.7	-60.4	0	0	0	0	112.5	S539 A549 I550 E557	S539-S553 PolarHBondContact OG-OG 2.68Å; A549-S553 PolarHBondContact O-N 2.87Å; A549-S553 PolarHBondContact O-OG 3.29Å; I550-S553 PolarHBondContact O-N 3.07Å; S553-E557 PolarHBondContact O-N 3.48Å
554	I	96.3	Very high	93.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-71.9	-40.8	173.2	-65.4	163.2	0	0	0	111	I550 C551 Q552 H556 E557 L558 W587 V621 L624 L721 L735	I550-I554 HydrophobicContact CG2-CD1 3.54Å; I550-I554 HydrophobicContact CG2-CG1 4.34Å; I550-I554 WeakPolarHBondContact O-CD1 3.46Å; I550-I554 VanDerWaalsContact O-CG1 3.23Å; I550-I554 WeakPolarHBondContact O-CG1 3.47Å; I550-I554 PolarHBondContact O-N 3.09Å; C551-I554 PolarHBondContact O-N 3.19Å; Q552-I554 VanDerWaalsContact C-N 3.27Å; Q552-I554 PolarHBondContact O-N 2.83Å; I554-H556 VanDerWaalsContact C-N 3.27Å; I554-H556 PolarHBondContact O-N 2.82Å; I554-E557 PolarHBondContact O-N 2.86Å; I554-L558 HydrophobicContact CG2-CD1 4.16Å; I554-L558 HydrophobicContact CG2-CG 4.47Å; I554-L558 WeakPolarHBondContact O-CB 3.48Å; I554-L558 WeakPolarHBondContact O-CG 3.45Å; I554-L558 PolarHBondContact O-N 3.29Å; I554-W587 HydrophobicContact CG2-CH2 4.5Å; I554-W587 HydrophobicContact CG2-CZ3 3.81Å; I554-V621 HydrophobicContact CG1-CG1 4.18Å; I554-L624 HydrophobicContact CD1-CD2 3.79Å; I554-L624 HydrophobicContact CG1-CD2 4.15Å; I554-L624 HydrophobicContact CG2-CD2 4.17Å; I554-L721 HydrophobicContact CD1-CD1 3.94Å; I554-L735 HydrophobicContact CB-CD2 4.22Å; I554-L735 HydrophobicContact CG2-CD1 3.87Å; I554-L735 HydrophobicContact CG2-CD2 4.05Å; I554-L735 HydrophobicContact CG2-CG 4.45Å
555	D	95.3	Very high	93.9	Very high	31 Å²	31	34.2 Å²	34.2	17%	0.166	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-41.5	175.7	-144	51.9	0	0	0	111.1	C551 Q552 L558 F559 G733 L734 L735	C551-D555 PolarHBondContact O-N 2.72Å; Q552-D555 WeakPolarHBondContact O-CB 3.28Å; Q552-D555 PolarHBondContact O-N 3.47Å; D555-L558 WeakPolarHBondContact O-CB 3.44Å; D555-L558 PolarHBondContact O-N 3.33Å; D555-F559 WeakPolarHBondContact O-CD2 3.47Å; D555-F559 PolarHBondContact O-N 3.48Å; D555-G733 WeakPolarHBondContact OD2-CA 3.46Å; D555-L734 WeakPolarHBondContact OD1-CA 3.31Å; D555-L734 PolarHBondContact OD1-N 2.86Å; D555-L734 PolarHBondContact OD2-N 3.41Å; D555-L735 WeakPolarHBondContact OD1-CB 3.41Å; D555-L735 PolarHBondContact OD1-N 2.69Å
556	H	93.9	Very high	94	Very high	54 Å²	54	34 Å²	34	25%	0.25	16%	0.164	C	C	.	.	H	α-helix	trans	-63	-46.1	175.5	-177.3	-97.4	0	0	0	113.3	H538 Q552 I554 L558 F559 R560	H538-H556 AromaticContact CD2-CG 3.9Å; H538-H556 AromaticContact CE1-CD2 3.75Å; H538-H556 AromaticContact CE1-CG 3.89Å; H538-H556 AromaticContact CG-CD2 3.68Å; H538-H556 AromaticContact CG-CG 3.75Å; H538-H556 AromaticContact CG-NE2 3.94Å; H538-H556 AromaticContact ND1-CD2 3.33Å; H538-H556 PolarHBondContact ND1-CD2 3.21Å; H538-H556 VanDerWaalsContact ND1-CD2 3.33Å; H538-H556 AromaticContact ND1-CG 3.74Å; H538-H556 AromaticContact ND1-NE2 3.87Å; Q552-H556 PolarHBondContact O-N 2.92Å; I554-H556 VanDerWaalsContact C-N 3.27Å; I554-H556 PolarHBondContact O-N 2.82Å; H556-L558 VanDerWaalsContact C-N 3.34Å; H556-F559 PolarHBondContact O-N 2.76Å; H556-R560 PolarHBondContact O-N 3.31Å
557	E	93.8	Very high	93.9	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-69.8	-32.4	177.4	-158.3	67.7	-110.9	0	0	112	W531 S553 I554 F559 R560 Q561 F595	W531-E557 PolarHBondContact NE1-OE2 2.8Å; S553-E557 PolarHBondContact O-N 3.48Å; I554-E557 PolarHBondContact O-N 2.86Å; E557-F559 VanDerWaalsContact C-N 3.31Å; E557-F559 PolarHBondContact O-N 2.95Å; E557-R560 WeakPolarHBondContact O-CB 3.35Å; E557-R560 PolarHBondContact O-N 3.1Å; E557-R560 VanDerWaalsContact O-N 3.08Å; E557-R560 WeakPolarHBondContact OE1-CB 3.4Å; E557-R560 VanDerWaalsContact OE1-CD 3.25Å; E557-R560 WeakPolarHBondContact OE1-CD 3.28Å; E557-R560 IonicContact OE1-CZ 2.91Å; E557-R560 IonicContact OE1-NE 3.25Å; E557-R560 PolarHBondContact OE1-NE 3.44Å; E557-R560 IonicContact OE1-NH1 2.69Å; E557-Q561 PolarHBondContact O-N 3.26Å; E557-F595 HydrophobicContact CG-CE2 4.15Å
558	L	95.5	Very high	93.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-40.3	171.5	-87.3	171.3	0	0	0	112.3	I554 D555 H556 R560 Q561 V562 W587 L734 L735 M738	I554-L558 HydrophobicContact CG2-CD1 4.16Å; I554-L558 HydrophobicContact CG2-CG 4.47Å; I554-L558 WeakPolarHBondContact O-CB 3.48Å; I554-L558 WeakPolarHBondContact O-CG 3.45Å; I554-L558 PolarHBondContact O-N 3.29Å; D555-L558 WeakPolarHBondContact O-CB 3.44Å; D555-L558 PolarHBondContact O-N 3.33Å; H556-L558 VanDerWaalsContact C-N 3.34Å; L558-R560 VanDerWaalsContact C-N 3.33Å; L558-R560 PolarHBondContact O-N 3.07Å; L558-Q561 PolarHBondContact O-N 3.08Å; L558-V562 VanDerWaalsContact O-CG2 3.29Å; L558-V562 WeakPolarHBondContact O-CG2 3.44Å; L558-V562 PolarHBondContact O-N 3.04Å; L558-W587 HydrophobicContact CD1-CE3 4.11Å; L558-W587 HydrophobicContact CD1-CZ3 4.25Å; L558-W587 HydrophobicContact CD2-CB 3.71Å; L558-W587 HydrophobicContact CD2-CD2 3.81Å; L558-W587 HydrophobicContact CD2-CE3 3.57Å; L558-W587 HydrophobicContact CD2-CG 3.9Å; L558-W587 HydrophobicContact CD2-CZ3 4.47Å; L558-W587 HydrophobicContact CG-CE3 4.01Å; L558-W587 HydrophobicContact CG-CZ3 4.48Å; L558-L734 HydrophobicContact CB-CD2 3.81Å; L558-L734 HydrophobicContact CB-CG 4.18Å; L558-L734 HydrophobicContact CD1-CG 4.46Å; L558-L735 HydrophobicContact CD1-CB 3.84Å; L558-L735 HydrophobicContact CD1-CD1 4.05Å; L558-M738 HydrophobicContact CD1-CG 4.16Å; L558-M738 HydrophobicContact CD2-CE 3.77Å; L558-M738 HydrophobicContact CD2-CG 4.15Å
559	F	93.8	Very high	93.8	Very high	119 Å²	119	34.6 Å²	34.6	52%	0.522	17%	0.167	S	C	.	.	H	α-helix	trans	-62.6	-38.9	173	-78.4	-69.4	0	0	0	112.4	D555 H556 E557 V562 D563 L734	D555-F559 WeakPolarHBondContact O-CD2 3.47Å; D555-F559 PolarHBondContact O-N 3.48Å; H556-F559 PolarHBondContact O-N 2.76Å; E557-F559 VanDerWaalsContact C-N 3.31Å; E557-F559 PolarHBondContact O-N 2.95Å; F559-V562 PolarHBondContact O-N 3.36Å; F559-D563 PolarHBondContact O-N 3.04Å; F559-L734 HydrophobicContact CD1-CD2 3.99Å; F559-L734 HydrophobicContact CD2-CD2 4.47Å; F559-L734 HydrophobicContact CE1-CD2 4.01Å; F559-L734 HydrophobicContact CE2-CB 4.21Å; F559-L734 HydrophobicContact CE2-CD2 4.48Å; F559-L734 HydrophobicContact CG-CD2 4.22Å; F559-L734 HydrophobicContact CZ-CB 4.05Å; F559-L734 HydrophobicContact CZ-CD2 4.25Å
560	R	91.9	Very high	93.7	Very high	54 Å²	54	35.9 Å²	35.9	20%	0.204	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-41.8	175.8	-70	-175.8	60	-174.5	-3.5	112.8	D528 W531 H556 E557 L558 V562 D563 W564	D528-R560 IonicContact OD1-NH2 2.96Å; D528-R560 PolarHBondContact OD1-NH2 2.92Å; W531-R560 VanDerWaalsContact CD1-CZ 3.49Å; H556-R560 PolarHBondContact O-N 3.31Å; E557-R560 WeakPolarHBondContact O-CB 3.35Å; E557-R560 PolarHBondContact O-N 3.1Å; E557-R560 VanDerWaalsContact O-N 3.08Å; E557-R560 WeakPolarHBondContact OE1-CB 3.4Å; E557-R560 VanDerWaalsContact OE1-CD 3.25Å; E557-R560 WeakPolarHBondContact OE1-CD 3.28Å; E557-R560 IonicContact OE1-CZ 2.91Å; E557-R560 IonicContact OE1-NE 3.25Å; E557-R560 PolarHBondContact OE1-NE 3.44Å; E557-R560 IonicContact OE1-NH1 2.69Å; L558-R560 VanDerWaalsContact C-N 3.33Å; L558-R560 PolarHBondContact O-N 3.07Å; R560-V562 VanDerWaalsContact C-N 3.34Å; R560-V562 PolarHBondContact O-N 3.41Å; R560-D563 PolarHBondContact O-N 3.08Å; R560-W564 WeakPolarHBondContact O-CB 3.26Å; R560-W564 PolarHBondContact O-N 3.29Å
561	Q	94.1	Very high	93.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-42.2	174.1	-70.5	-178	16	0	0	112.1	E557 L558 A565 W587 H591	E557-Q561 PolarHBondContact O-N 3.26Å; L558-Q561 PolarHBondContact O-N 3.08Å; Q561-A565 VanDerWaalsContact O-CB 3.23Å; Q561-A565 WeakPolarHBondContact O-CB 3.4Å; Q561-A565 PolarHBondContact O-N 3.19Å; Q561-W587 PolarHBondContact OE1-O 3.47Å; Q561-H591 VanDerWaalsContact NE2-N 3.15Å
562	V	94.2	Very high	93.5	Very high	18 Å²	18	40 Å²	40	11%	0.109	19%	0.189	C	C	.	.	H	α-helix	trans	-64.5	-41.7	177.5	168.8	0	0	0	0	111.6	L558 F559 R560 K566 L583 L734	L558-V562 VanDerWaalsContact O-CG2 3.29Å; L558-V562 WeakPolarHBondContact O-CG2 3.44Å; L558-V562 PolarHBondContact O-N 3.04Å; F559-V562 PolarHBondContact O-N 3.36Å; R560-V562 VanDerWaalsContact C-N 3.34Å; R560-V562 PolarHBondContact O-N 3.41Å; V562-K566 HydrophobicContact CG1-CD 4.02Å; V562-K566 WeakPolarHBondContact O-CB 3.3Å; V562-K566 WeakPolarHBondContact O-CD 3.14Å; V562-K566 VanDerWaalsContact O-CG 3.25Å; V562-K566 WeakPolarHBondContact O-CG 3.27Å; V562-K566 PolarHBondContact O-N 2.86Å; V562-K566 VanDerWaalsContact O-N 3.12Å; V562-L583 HydrophobicContact CG2-CD1 4.27Å; V562-L734 HydrophobicContact CG2-CD2 4.08Å
563	D	91.6	Very high	93.5	Very high	106 Å²	106	40.8 Å²	40.8	57%	0.567	20%	0.196	S	C	*	.	H	α-helix	trans	-69.4	-44.6	178.9	-169.9	59.8	0	0	0	112.3	F559 R560 N567	F559-D563 PolarHBondContact O-N 3.04Å; R560-D563 PolarHBondContact O-N 3.08Å; D563-N567 PolarHBondContact O-N 3.44Å; D563-N567 PolarHBondContact O-ND2 2.94Å
564	W	93.5	Very high	93.5	Very high	23 Å²	23	41.3 Å²	41.3	9%	0.087	20%	0.199	C	C	.	.	H	α-helix	trans	-57	-51.4	172.2	165.3	72.6	0	0	0	111.7	S524 L525 R560 K566 N567 S568 L590 K654 Y655 L658	S524-W564 PolarHBondContact OG-NE1 2.89Å; L525-W564 HydrophobicContact CD2-CG 4.41Å; R560-W564 WeakPolarHBondContact O-CB 3.26Å; R560-W564 PolarHBondContact O-N 3.29Å; W564-K566 PolarHBondContact O-N 3.41Å; W564-N567 PolarHBondContact O-N 3.13Å; W564-S568 WeakPolarHBondContact O-CB 3.49Å; W564-S568 PolarHBondContact O-N 2.83Å; W564-S568 VanDerWaalsContact O-N 3.08Å; W564-L590 HydrophobicContact CZ3-CD1 4.2Å; W564-K654 HydrophobicContact CH2-CD 3.97Å; W564-K654 HydrophobicContact CH2-CG 3.64Å; W564-K654 HydrophobicContact CZ2-CD 3.92Å; W564-K654 HydrophobicContact CZ2-CG 3.98Å; W564-K654 HydrophobicContact CZ3-CD 4.36Å; W564-K654 HydrophobicContact CZ3-CG 4.19Å; W564-Y655 HydrophobicContact CZ2-CD2 4.06Å; W564-Y655 HydrophobicContact CZ2-CE1 4.29Å; W564-Y655 AromaticContact CZ2-CE2 3.68Å; W564-Y655 HydrophobicContact CZ2-CE2 3.68Å; W564-Y655 AromaticContact CZ2-CZ 3.8Å; W564-L658 HydrophobicContact CH2-CB 4.41Å; W564-L658 HydrophobicContact CH2-CD2 3.71Å; W564-L658 HydrophobicContact CZ3-CD2 3.8Å
565	A	94.6	Very high	93.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-46.5	-175.8	0	0	0	0	0	111.9	Q561 N567 S568 F571 L583 L658	Q561-A565 VanDerWaalsContact O-CB 3.23Å; Q561-A565 WeakPolarHBondContact O-CB 3.4Å; Q561-A565 PolarHBondContact O-N 3.19Å; A565-N567 PolarHBondContact O-N 3.22Å; A565-N567 VanDerWaalsContact O-N 3.14Å; A565-S568 WeakPolarHBondContact O-CB 3.36Å; A565-S568 PolarHBondContact O-N 2.97Å; A565-S568 PolarHBondContact O-OG 3.18Å; A565-F571 VanDerWaalsContact C-CD1 3.46Å; A565-F571 HydrophobicContact CB-CD1 4.15Å; A565-F571 HydrophobicContact CB-CE1 3.87Å; A565-F571 HydrophobicContact CB-CE2 4.41Å; A565-F571 HydrophobicContact CB-CZ 4.01Å; A565-F571 WeakPolarHBondContact O-CD1 3.41Å; A565-L583 HydrophobicContact CB-CD1 4.14Å; A565-L583 HydrophobicContact CB-CD2 3.83Å; A565-L583 HydrophobicContact CB-CG 4.32Å; A565-L658 HydrophobicContact CB-CD2 4.31Å
566	K	91.9	Very high	93.5	Very high	93 Å²	93	47.8 Å²	47.8	40%	0.404	24%	0.236	S	C	.	.	H	α-helix	trans	-56.1	-30.5	177.8	-79.1	171.9	176.6	176.2	0	114.2	V562 W564 K572	V562-K566 HydrophobicContact CG1-CD 4.02Å; V562-K566 WeakPolarHBondContact O-CB 3.3Å; V562-K566 WeakPolarHBondContact O-CD 3.14Å; V562-K566 VanDerWaalsContact O-CG 3.25Å; V562-K566 WeakPolarHBondContact O-CG 3.27Å; V562-K566 PolarHBondContact O-N 2.86Å; V562-K566 VanDerWaalsContact O-N 3.12Å; W564-K566 PolarHBondContact O-N 3.41Å; K566-K572 WeakPolarHBondContact O-CB 3.44Å
567	N	89.5	Confident	93.5	Very high	110 Å²	110	49.9 Å²	49.9	59%	0.588	25%	0.249	S	C	*	.	H	α-helix	trans	-95.1	-7.5	179.3	-68.1	-71.2	0	0	0	113.1	D563 W564 A565	D563-N567 PolarHBondContact O-N 3.44Å; D563-N567 PolarHBondContact O-ND2 2.94Å; W564-N567 PolarHBondContact O-N 3.13Å; A565-N567 PolarHBondContact O-N 3.22Å; A565-N567 VanDerWaalsContact O-N 3.14Å
568	S	92.3	Very high	93.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-76	143.4	-174.7	72.7	0	0	0	0	113.3	W564 A565 F571 K572 Y655	W564-S568 WeakPolarHBondContact O-CB 3.49Å; W564-S568 PolarHBondContact O-N 2.83Å; W564-S568 VanDerWaalsContact O-N 3.08Å; A565-S568 WeakPolarHBondContact O-CB 3.36Å; A565-S568 PolarHBondContact O-N 2.97Å; A565-S568 PolarHBondContact O-OG 3.18Å; S568-F571 VanDerWaalsContact OG-CB 3.24Å; S568-F571 WeakPolarHBondContact OG-CB 3.32Å; S568-K572 WeakPolarHBondContact O-CB 3.28Å; S568-K572 WeakPolarHBondContact O-CG 3.4Å; S568-K572 PolarHBondContact O-N 2.9Å; S568-K572 VanDerWaalsContact O-N 3.14Å; S568-Y655 VanDerWaalsContact CB-OH 3.29Å; S568-Y655 WeakPolarHBondContact CB-OH 3.42Å
569	P	91.9	Very high	93.6	Very high	21 Å²	21	50.8 Å²	50.8	14%	0.136	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	152.9	174.8	-24.1	36	0	0	0	112.6	L521 F571 Y655	L521-P569 HydrophobicContact CD2-CB 4.27Å; L521-P569 HydrophobicContact CD2-CG 3.96Å; P569-F571 PolarHBondContact O-N 3.4Å; P569-Y655 VanDerWaalsContact CD-OH 3.3Å; P569-Y655 WeakPolarHBondContact CD-OH 3.24Å
570	F	92.2	Very high	93.6	Very high	27 Å²	27	48.3 Å²	48.3	12%	0.118	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	-40.1	-173.9	-40.7	-73.1	0	0	0	114.5	L517 L659 R678 V679	L517-F570 HydrophobicContact CD1-CE2 4.44Å; L517-F570 HydrophobicContact CD1-CZ 4.3Å; F570-L659 HydrophobicContact CB-CD1 4.15Å; F570-L659 HydrophobicContact CB-CD2 4.34Å; F570-L659 HydrophobicContact CD2-CD1 3.95Å; F570-L659 HydrophobicContact CG-CD1 4.37Å; F570-R678 HydrophobicContact CZ-CB 4.17Å; F570-V679 HydrophobicContact CE2-CG2 4.13Å
571	F	94.3	Very high	93.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-46.1	-179.8	-174.1	-84.8	0	0	0	112.9	A565 S568 P569 D573 L574 Q579 L582 L583 L658	A565-F571 VanDerWaalsContact C-CD1 3.46Å; A565-F571 HydrophobicContact CB-CD1 4.15Å; A565-F571 HydrophobicContact CB-CE1 3.87Å; A565-F571 HydrophobicContact CB-CE2 4.41Å; A565-F571 HydrophobicContact CB-CZ 4.01Å; A565-F571 WeakPolarHBondContact O-CD1 3.41Å; S568-F571 VanDerWaalsContact OG-CB 3.24Å; S568-F571 WeakPolarHBondContact OG-CB 3.32Å; P569-F571 PolarHBondContact O-N 3.4Å; F571-D573 PolarHBondContact O-N 3.4Å; F571-L574 HydrophobicContact CD2-CD1 4.31Å; F571-L574 WeakPolarHBondContact O-CB 3.22Å; F571-L574 PolarHBondContact O-N 3.13Å; F571-Q579 HydrophobicContact CD1-CG 3.89Å; F571-Q579 HydrophobicContact CE1-CB 3.61Å; F571-Q579 HydrophobicContact CE1-CG 3.45Å; F571-Q579 VanDerWaalsContact CE1-CG 3.45Å; F571-Q579 HydrophobicContact CE2-CB 4.3Å; F571-Q579 HydrophobicContact CE2-CG 4.44Å; F571-Q579 VanDerWaalsContact CZ-CA 3.48Å; F571-Q579 HydrophobicContact CZ-CB 3.49Å; F571-Q579 VanDerWaalsContact CZ-CB 3.49Å; F571-Q579 HydrophobicContact CZ-CG 3.77Å; F571-Q579 WeakPolarHBondContact CZ-O 3.2Å; F571-L582 HydrophobicContact CD2-CD1 3.89Å; F571-L582 HydrophobicContact CE2-CB 3.96Å; F571-L582 HydrophobicContact CE2-CD1 3.93Å; F571-L583 HydrophobicContact CE1-CD1 4.27Å; F571-L583 HydrophobicContact CE2-CD1 4.46Å; F571-L583 HydrophobicContact CE2-CG 4.14Å; F571-L583 HydrophobicContact CZ-CD1 3.59Å; F571-L583 HydrophobicContact CZ-CG 3.75Å; F571-L658 HydrophobicContact CB-CD2 4.36Å; F571-L658 HydrophobicContact CD2-CD1 3.99Å; F571-L658 HydrophobicContact CD2-CD2 3.69Å; F571-L658 HydrophobicContact CD2-CG 3.92Å; F571-L658 HydrophobicContact CE2-CD1 3.8Å; F571-L658 HydrophobicContact CE2-CD2 4.26Å; F571-L658 HydrophobicContact CE2-CG 4.25Å; F571-L658 HydrophobicContact CG-CD2 4.2Å
572	K	92.7	Very high	93.8	Very high	103 Å²	103	47.5 Å²	47.5	45%	0.448	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.7	-177.7	74	-176.1	-176.2	61.6	0	114	K566 S568	K566-K572 WeakPolarHBondContact O-CB 3.44Å; S568-K572 WeakPolarHBondContact O-CB 3.28Å; S568-K572 WeakPolarHBondContact O-CG 3.4Å; S568-K572 PolarHBondContact O-N 2.9Å; S568-K572 VanDerWaalsContact O-N 3.14Å
573	D	94.5	Very high	93.9	Very high	91 Å²	91	47.2 Å²	47.2	49%	0.487	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	1.6	-175.7	-51.2	-65.2	0	0	0	112	F571 L671	F571-D573 PolarHBondContact O-N 3.4Å; D573-L671 HydrophobicContact CB-CD2 4.02Å
574	L	95.4	Very high	94.1	Very high	12 Å²	12	44.4 Å²	44.4	6%	0.063	23%	0.225	C	C	.	.	S	Bend	trans	-85.2	161.4	173	-65	168.2	0	0	0	112.8	F571 D578 Q579 L582 N668 L671 V672	F571-L574 HydrophobicContact CD2-CD1 4.31Å; F571-L574 WeakPolarHBondContact O-CB 3.22Å; F571-L574 PolarHBondContact O-N 3.13Å; L574-D578 HydrophobicContact CB-CB 4.04Å; L574-D578 HydrophobicContact CD1-CB 4.49Å; L574-D578 HydrophobicContact CD2-CB 4.45Å; L574-Q579 HydrophobicContact CB-CG 3.95Å; L574-Q579 PolarHBondContact O-NE2 3.09Å; L574-L582 HydrophobicContact CD1-CD1 3.52Å; L574-N668 HydrophobicContact CD2-CB 3.99Å; L574-L671 HydrophobicContact CD2-CB 4.27Å; L574-L671 HydrophobicContact CD2-CD2 3.88Å; L574-L671 HydrophobicContact CD2-CG 4.26Å; L574-L671 HydrophobicContact CG-CD2 4.3Å; L574-V672 HydrophobicContact CD1-CG2 3.82Å; L574-V672 HydrophobicContact CD2-CG2 3.74Å; L574-V672 HydrophobicContact CG-CG2 4.42Å
575	S	95.8	Very high	94	Very high	42 Å²	42	43.9 Å²	43.9	29%	0.294	23%	0.225	S	C	.	.			trans	-64.5	155.3	170.6	73.1	0	0	0	0	111.6	D577 D578 Q579 Q667	S575-D577 PolarHBondContact O-N 2.99Å; S575-D578 PolarHBondContact O-N 3.33Å; S575-D578 VanDerWaalsContact O-N 3.13Å; S575-D578 PolarHBondContact OG-N 3.44Å; S575-Q579 WeakPolarHBondContact O-CG 3.47Å; S575-Q579 PolarHBondContact O-N 3.49Å; S575-Q667 PolarHBondContact OG-OE1 3.4Å
576	L	95.3	Very high	94	Very high	124 Å²	124	44 Å²	44	65%	0.649	23%	0.226	S	C	*	.	H	α-helix	trans	-60.9	-32.7	178.9	-68.2	176.4	0	0	0	112.5	M580	L576-M580 WeakPolarHBondContact O-CB 3.36Å; L576-M580 VanDerWaalsContact O-CG 3.28Å; L576-M580 WeakPolarHBondContact O-CG 3.37Å; L576-M580 PolarHBondContact O-N 3.24Å
577	D	94.9	Very high	94.3	Very high	98 Å²	98	39.6 Å²	39.6	52%	0.524	21%	0.207	S	C	.	.	H	α-helix	trans	-63.8	-45.4	174.6	-64	-37.4	0	0	0	111.3	S575 M580 L581 Q667	S575-D577 PolarHBondContact O-N 2.99Å; D577-M580 PolarHBondContact O-N 3.38Å; D577-L581 VanDerWaalsContact O-CB 3.28Å; D577-L581 WeakPolarHBondContact O-CB 3.33Å; D577-L581 PolarHBondContact O-N 2.88Å; D577-Q667 PolarHBondContact OD2-NE2 2.94Å
578	D	96.1	Very high	94.6	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.011	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-44.5	177.4	-79.7	-2.5	0	0	0	111.5	L574 S575 M580 L581 L582 L666 Q667 N668	L574-D578 HydrophobicContact CB-CB 4.04Å; L574-D578 HydrophobicContact CD1-CB 4.49Å; L574-D578 HydrophobicContact CD2-CB 4.45Å; S575-D578 PolarHBondContact O-N 3.33Å; S575-D578 VanDerWaalsContact O-N 3.13Å; S575-D578 PolarHBondContact OG-N 3.44Å; D578-M580 VanDerWaalsContact C-N 3.33Å; D578-M580 PolarHBondContact O-N 2.81Å; D578-L581 PolarHBondContact O-N 3.05Å; D578-L582 WeakPolarHBondContact O-CG 3.47Å; D578-L582 PolarHBondContact O-N 2.9Å; D578-L666 HydrophobicContact CB-CD1 3.73Å; D578-L666 VanDerWaalsContact CG-CD1 3.44Å; D578-Q667 WeakPolarHBondContact OD1-CB 3.44Å; D578-Q667 WeakPolarHBondContact OD1-CG 3.36Å; D578-Q667 PolarHBondContact OD1-N 3.08Å; D578-Q667 PolarHBondContact OD2-N 3.14Å; D578-N668 PolarHBondContact OD2-N 2.88Å
579	Q	96.2	Very high	94.8	Very high	22 Å²	22	35.3 Å²	35.3	10%	0.103	18%	0.184	C	C	.	.	H	α-helix	trans	-57.2	-45.7	174.9	-69.8	-175.5	30.4	0	0	111.4	F571 L574 S575 L583	F571-Q579 HydrophobicContact CD1-CG 3.89Å; F571-Q579 HydrophobicContact CE1-CB 3.61Å; F571-Q579 HydrophobicContact CE1-CG 3.45Å; F571-Q579 VanDerWaalsContact CE1-CG 3.45Å; F571-Q579 HydrophobicContact CE2-CB 4.3Å; F571-Q579 HydrophobicContact CE2-CG 4.44Å; F571-Q579 VanDerWaalsContact CZ-CA 3.48Å; F571-Q579 HydrophobicContact CZ-CB 3.49Å; F571-Q579 VanDerWaalsContact CZ-CB 3.49Å; F571-Q579 HydrophobicContact CZ-CG 3.77Å; F571-Q579 WeakPolarHBondContact CZ-O 3.2Å; L574-Q579 HydrophobicContact CB-CG 3.95Å; L574-Q579 PolarHBondContact O-NE2 3.09Å; S575-Q579 WeakPolarHBondContact O-CG 3.47Å; S575-Q579 PolarHBondContact O-N 3.49Å; Q579-L583 PolarHBondContact O-N 3.18Å
580	M	94	Very high	95.1	Very high	66 Å²	66	34.3 Å²	34.3	33%	0.325	18%	0.177	S	C	.	.	H	α-helix	trans	-65.2	-43.5	175.9	-76.4	-179.2	60.8	0	0	112.1	F441 L576 D577 D578 Q584	F441-M580 HydrophobicContact CD2-CE 4.38Å; F441-M580 HydrophobicContact CD2-SD 3.83Å; F441-M580 HydrophobicContact CE2-CE 3.79Å; F441-M580 HydrophobicContact CE2-CG 4.19Å; F441-M580 HydrophobicContact CE2-SD 3.54Å; F441-M580 VanDerWaalsContact CE2-SD 3.54Å; F441-M580 HydrophobicContact CZ-SD 4.43Å; L576-M580 WeakPolarHBondContact O-CB 3.36Å; L576-M580 VanDerWaalsContact O-CG 3.28Å; L576-M580 WeakPolarHBondContact O-CG 3.37Å; L576-M580 PolarHBondContact O-N 3.24Å; D577-M580 PolarHBondContact O-N 3.38Å; D578-M580 VanDerWaalsContact C-N 3.33Å; D578-M580 PolarHBondContact O-N 2.81Å; M580-Q584 WeakPolarHBondContact O-CB 3.45Å; M580-Q584 WeakPolarHBondContact O-CG 3.43Å; M580-Q584 PolarHBondContact O-N 2.83Å
581	L	94.3	Very high	95.3	Very high	39 Å²	39	33 Å²	33	20%	0.204	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-45.4	-179.7	177	63.2	0	0	0	112	D577 D578 S585 K665 L666	D577-L581 VanDerWaalsContact O-CB 3.28Å; D577-L581 WeakPolarHBondContact O-CB 3.33Å; D577-L581 PolarHBondContact O-N 2.88Å; D578-L581 PolarHBondContact O-N 3.05Å; L581-S585 VanDerWaalsContact O-CB 3.27Å; L581-S585 WeakPolarHBondContact O-CB 3.3Å; L581-S585 PolarHBondContact O-N 2.89Å; L581-S585 PolarHBondContact O-OG 2.95Å; L581-K665 HydrophobicContact CD2-CB 3.98Å; L581-L666 HydrophobicContact CD2-CB 4.01Å; L581-L666 HydrophobicContact CD2-CD1 4.36Å
582	L	95.8	Very high	95.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-56.6	177.1	-68.4	-179.9	0	0	0	110.7	F571 L574 D578 Q584 S585 V586 L658 Y663 L666 V672	F571-L582 HydrophobicContact CD2-CD1 3.89Å; F571-L582 HydrophobicContact CE2-CB 3.96Å; F571-L582 HydrophobicContact CE2-CD1 3.93Å; L574-L582 HydrophobicContact CD1-CD1 3.52Å; D578-L582 WeakPolarHBondContact O-CG 3.47Å; D578-L582 PolarHBondContact O-N 2.9Å; L582-Q584 PolarHBondContact O-N 3.17Å; L582-S585 PolarHBondContact O-N 2.65Å; L582-S585 VanDerWaalsContact O-N 3.07Å; L582-V586 WeakPolarHBondContact O-CG1 3.1Å; L582-V586 PolarHBondContact O-N 2.84Å; L582-L658 HydrophobicContact CB-CD1 4.38Å; L582-Y663 HydrophobicContact CD2-CD2 3.68Å; L582-Y663 HydrophobicContact CD2-CE2 3.82Å; L582-L666 HydrophobicContact CD2-CD1 4.07Å; L582-L666 HydrophobicContact CG-CD1 4.16Å; L582-V672 HydrophobicContact CD1-CG2 4.18Å
583	L	96.2	Very high	95.7	Very high	13 Å²	13	28.3 Å²	28.3	7%	0.068	15%	0.151	C	C	.	.	H	α-helix	trans	-59.8	-47.5	-177.6	-80.4	168.7	0	0	0	112.9	V562 A565 F571 Q579 S585 V586 W587 L658 M738	V562-L583 HydrophobicContact CG2-CD1 4.27Å; A565-L583 HydrophobicContact CB-CD1 4.14Å; A565-L583 HydrophobicContact CB-CD2 3.83Å; A565-L583 HydrophobicContact CB-CG 4.32Å; F571-L583 HydrophobicContact CE1-CD1 4.27Å; F571-L583 HydrophobicContact CE2-CD1 4.46Å; F571-L583 HydrophobicContact CE2-CG 4.14Å; F571-L583 HydrophobicContact CZ-CD1 3.59Å; F571-L583 HydrophobicContact CZ-CG 3.75Å; Q579-L583 PolarHBondContact O-N 3.18Å; L583-S585 PolarHBondContact O-N 3.33Å; L583-S585 VanDerWaalsContact O-N 3.1Å; L583-V586 PolarHBondContact O-N 2.95Å; L583-W587 WeakPolarHBondContact O-CB 3.39Å; L583-W587 PolarHBondContact O-N 3.08Å; L583-W587 VanDerWaalsContact O-N 3.08Å; L583-L658 HydrophobicContact CD2-CD1 4.21Å; L583-M738 HydrophobicContact CB-CE 4.38Å
584	Q	94.2	Very high	95.7	Very high	46 Å²	46	24.2 Å²	24.2	22%	0.215	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-17.1	178.4	-73.2	-179.3	6	0	0	113.6	M580 L582 M738 S741 R745	M580-Q584 WeakPolarHBondContact O-CB 3.45Å; M580-Q584 WeakPolarHBondContact O-CG 3.43Å; M580-Q584 PolarHBondContact O-N 2.83Å; L582-Q584 PolarHBondContact O-N 3.17Å; Q584-M738 HydrophobicContact CB-SD 4.36Å; Q584-M738 HydrophobicContact CG-SD 3.68Å; Q584-S741 PolarHBondContact OE1-OG 3.34Å; Q584-R745 VanDerWaalsContact O-CZ 3.23Å; Q584-R745 PolarHBondContact O-NE 3.09Å; Q584-R745 PolarHBondContact O-NH2 3.39Å
585	S	92.5	Very high	95.7	Very high	13 Å²	13	23.6 Å²	23.6	9%	0.091	13%	0.126	C	C	.	.	H	α-helix	trans	-99.3	-10.9	-178	-57.6	0	0	0	0	114.4	L581 L582 L583 Y663	L581-S585 VanDerWaalsContact O-CB 3.27Å; L581-S585 WeakPolarHBondContact O-CB 3.3Å; L581-S585 PolarHBondContact O-N 2.89Å; L581-S585 PolarHBondContact O-OG 2.95Å; L582-S585 PolarHBondContact O-N 2.65Å; L582-S585 VanDerWaalsContact O-N 3.07Å; L583-S585 PolarHBondContact O-N 3.33Å; L583-S585 VanDerWaalsContact O-N 3.1Å; S585-Y663 VanDerWaalsContact CB-CE1 3.43Å; S585-Y663 WeakPolarHBondContact CB-OH 3.29Å
586	V	94.9	Very high	95.6	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-135.5	-12.2	-172.2	78.1	0	0	0	0	115.6	L582 L583 A588 E589 L590 M657 L658	L582-V586 WeakPolarHBondContact O-CG1 3.1Å; L582-V586 PolarHBondContact O-N 2.84Å; L583-V586 PolarHBondContact O-N 2.95Å; V586-A588 PolarHBondContact O-N 2.91Å; V586-E589 HydrophobicContact CG2-CB 4.16Å; V586-E589 HydrophobicContact CG2-CG 4.41Å; V586-E589 WeakPolarHBondContact O-CA 3.35Å; V586-E589 PolarHBondContact O-N 2.69Å; V586-L590 HydrophobicContact CG1-CD1 3.79Å; V586-L590 HydrophobicContact CG1-CG 3.99Å; V586-L590 HydrophobicContact CG2-CD2 4.49Å; V586-L590 HydrophobicContact CG2-CG 4.21Å; V586-L590 PolarHBondContact O-N 2.97Å; V586-M657 HydrophobicContact CG2-CB 4.04Å; V586-L658 HydrophobicContact CG1-CD1 4.18Å
587	W	96.7	Very high	95.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-48.8	-37.4	-175.4	73.8	-84.8	0	0	0	114.7	I554 L558 Q561 L583 L590 H591 L624 E718 L721 L735 M738 L739	I554-W587 HydrophobicContact CG2-CH2 4.5Å; I554-W587 HydrophobicContact CG2-CZ3 3.81Å; L558-W587 HydrophobicContact CD1-CE3 4.11Å; L558-W587 HydrophobicContact CD1-CZ3 4.25Å; L558-W587 HydrophobicContact CD2-CB 3.71Å; L558-W587 HydrophobicContact CD2-CD2 3.81Å; L558-W587 HydrophobicContact CD2-CE3 3.57Å; L558-W587 HydrophobicContact CD2-CG 3.9Å; L558-W587 HydrophobicContact CD2-CZ3 4.47Å; L558-W587 HydrophobicContact CG-CE3 4.01Å; L558-W587 HydrophobicContact CG-CZ3 4.48Å; Q561-W587 PolarHBondContact OE1-O 3.47Å; L583-W587 WeakPolarHBondContact O-CB 3.39Å; L583-W587 PolarHBondContact O-N 3.08Å; L583-W587 VanDerWaalsContact O-N 3.08Å; W587-L590 PolarHBondContact O-N 3.19Å; W587-H591 VanDerWaalsContact O-CB 3.26Å; W587-H591 WeakPolarHBondContact O-CB 3.47Å; W587-H591 PolarHBondContact O-N 2.82Å; W587-L624 HydrophobicContact CH2-CD1 4.47Å; W587-L624 HydrophobicContact CH2-CD2 4.16Å; W587-L624 HydrophobicContact CZ3-CD1 4.49Å; W587-L624 HydrophobicContact CZ3-CD2 3.76Å; W587-E718 HydrophobicContact CZ2-CB 4.41Å; W587-E718 HydrophobicContact CZ2-CG 4.02Å; W587-E718 PolarHBondContact NE1-OE1 3.42Å; W587-L721 HydrophobicContact CH2-CD1 4.36Å; W587-L735 HydrophobicContact CH2-CD1 3.45Å; W587-L735 VanDerWaalsContact CH2-CD1 3.45Å; W587-L735 HydrophobicContact CZ2-CD1 4.09Å; W587-L735 HydrophobicContact CZ3-CD1 3.96Å; W587-M738 HydrophobicContact CB-CE 3.84Å; W587-M738 HydrophobicContact CD2-CB 4.45Å; W587-M738 HydrophobicContact CG-CE 3.97Å; W587-M738 HydrophobicContact CG-CG 4.46Å; W587-M738 HydrophobicContact CZ2-CB 4.37Å; W587-L739 HydrophobicContact CZ2-CD2 4.09Å
588	A	97.5	Very high	95.4	Very high	4 Å²	4	12.5 Å²	12.5	3%	0.033	6%	0.062	C	C	.	.	H	α-helix	trans	-70.3	-35.6	179.5	0	0	0	0	0	112.5	V586 I592 L624 E718	V586-A588 PolarHBondContact O-N 2.91Å; A588-I592 PolarHBondContact O-N 3.42Å; A588-L624 HydrophobicContact CB-CD1 3.69Å; A588-E718 HydrophobicContact CB-CB 4.1Å
589	E	96.5	Very high	95.1	Very high	16 Å²	16	17.1 Å²	17.1	8%	0.075	8%	0.08	C	C	.	.	H	α-helix	trans	-72.4	-41.4	173.4	-47.3	-170.5	-173.9	0	0	110.4	V586 I592 L593 M657 I710 R711	V586-E589 HydrophobicContact CG2-CB 4.16Å; V586-E589 HydrophobicContact CG2-CG 4.41Å; V586-E589 WeakPolarHBondContact O-CA 3.35Å; V586-E589 PolarHBondContact O-N 2.69Å; E589-I592 PolarHBondContact O-N 2.93Å; E589-L593 PolarHBondContact O-N 3.25Å; E589-M657 HydrophobicContact CB-CE 3.25Å; E589-M657 HydrophobicContact CG-CE 4.45Å; E589-I710 HydrophobicContact CB-CG2 4.31Å; E589-I710 WeakPolarHBondContact O-CG2 3.43Å; E589-R711 WeakPolarHBondContact OE1-CG 3.46Å; E589-R711 IonicContact OE1-CZ 2.8Å; E589-R711 IonicContact OE1-NE 3.38Å; E589-R711 PolarHBondContact OE1-NE 2.99Å; E589-R711 IonicContact OE1-NH2 3.48Å; E589-R711 IonicContact OE2-CZ 3.81Å; E589-R711 IonicContact OE2-NE 2.82Å; E589-R711 PolarHBondContact OE2-NE 3.37Å; E589-R711 IonicContact OE2-NH2 3.62Å; E589-R711 PolarHBondContact OE2-NH2 3.3Å
590	L	96.8	Very high	94.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.4	-41.6	175.7	-64.8	-176.7	0	0	0	112.4	W564 V586 W587 I592 L593 D594 K654 M657 L658	W564-L590 HydrophobicContact CZ3-CD1 4.2Å; V586-L590 HydrophobicContact CG1-CD1 3.79Å; V586-L590 HydrophobicContact CG1-CG 3.99Å; V586-L590 HydrophobicContact CG2-CD2 4.49Å; V586-L590 HydrophobicContact CG2-CG 4.21Å; V586-L590 PolarHBondContact O-N 2.97Å; W587-L590 PolarHBondContact O-N 3.19Å; L590-I592 VanDerWaalsContact C-N 3.3Å; L590-I592 PolarHBondContact O-N 2.91Å; L590-L593 WeakPolarHBondContact O-CB 3.38Å; L590-L593 PolarHBondContact O-N 3.42Å; L590-L593 VanDerWaalsContact O-N 3.16Å; L590-D594 WeakPolarHBondContact O-CB 3.07Å; L590-D594 PolarHBondContact O-N 3.29Å; L590-K654 HydrophobicContact CD2-CG 4.02Å; L590-M657 HydrophobicContact CD2-CB 3.84Å; L590-M657 HydrophobicContact CD2-CE 4.4Å; L590-L658 HydrophobicContact CD1-CD1 4.48Å
591	H	97.3	Very high	94.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58.8	-43.9	177.8	-177.8	92.3	0	0	0	111.3	Q561 W587 F595 V621 A622 L624	Q561-H591 VanDerWaalsContact NE2-N 3.15Å; W587-H591 VanDerWaalsContact O-CB 3.26Å; W587-H591 WeakPolarHBondContact O-CB 3.47Å; W587-H591 PolarHBondContact O-N 2.82Å; H591-F595 AromaticContact CE1-CD2 3.96Å; H591-F595 AromaticContact CE1-CE2 3.39Å; H591-F595 WeakPolarHBondContact CE1-CE2 3.39Å; H591-F595 AromaticContact ND1-CE2 3.97Å; H591-F595 AromaticContact NE2-CD2 3.88Å; H591-F595 AromaticContact NE2-CE2 3.65Å; H591-F595 VanDerWaalsContact O-CD2 3.27Å; H591-F595 WeakPolarHBondContact O-CD2 3.42Å; H591-F595 PolarHBondContact O-N 2.86Å; H591-F595 VanDerWaalsContact O-N 3.15Å; H591-V621 PolarHBondContact NE2-O 3.03Å; H591-A622 PolarHBondContact CD2-O 3.3Å; H591-A622 VanDerWaalsContact CD2-O 3.29Å; H591-L624 HydrophobicContact CB-CD2 4.48Å; H591-L624 VanDerWaalsContact CD2-CD2 3.47Å; H591-L624 WeakPolarHBondContact CD2-CD2 3.18Å
592	I	97.6	Very high	93.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-70.5	-38.2	176.7	-67.2	163.9	0	0	0	110.9	A588 E589 L590 T596 A622 L624 I710 L713	A588-I592 PolarHBondContact O-N 3.42Å; E589-I592 PolarHBondContact O-N 2.93Å; L590-I592 VanDerWaalsContact C-N 3.3Å; L590-I592 PolarHBondContact O-N 2.91Å; I592-T596 VanDerWaalsContact O-CB 3.26Å; I592-T596 WeakPolarHBondContact O-CB 3.31Å; I592-T596 PolarHBondContact O-N 3.14Å; I592-T596 PolarHBondContact O-OG1 2.93Å; I592-A622 VanDerWaalsContact CG1-O 3.29Å; I592-A622 WeakPolarHBondContact CG1-O 3.32Å; I592-L624 HydrophobicContact CD1-CD1 4.22Å; I592-I710 HydrophobicContact CB-CG2 4.12Å; I592-I710 HydrophobicContact CG2-CB 4.42Å; I592-I710 HydrophobicContact CG2-CG1 4.24Å; I592-I710 HydrophobicContact CG2-CG2 3.96Å; I592-L713 HydrophobicContact CD1-CB 3.75Å
593	L	96.5	Very high	92.7	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-59.1	-48.5	174.5	-179.7	71.1	0	0	0	111.9	E589 L590 T596 Y597 Y650 V653 K654 M657 I710	E589-L593 PolarHBondContact O-N 3.25Å; L590-L593 WeakPolarHBondContact O-CB 3.38Å; L590-L593 PolarHBondContact O-N 3.42Å; L590-L593 VanDerWaalsContact O-N 3.16Å; L593-T596 CarbonylContact O-C 3.56Å; L593-T596 WeakPolarHBondContact O-CA 3.34Å; L593-T596 VanDerWaalsContact O-CB 3.3Å; L593-T596 WeakPolarHBondContact O-CB 3.26Å; L593-T596 PolarHBondContact O-N 3.05Å; L593-Y597 PolarHBondContact O-N 2.89Å; L593-Y650 HydrophobicContact CD2-CD2 4.24Å; L593-Y650 HydrophobicContact CD2-CE2 4.42Å; L593-Y650 HydrophobicContact CG-CD2 4.14Å; L593-Y650 HydrophobicContact CG-CE2 4.34Å; L593-V653 HydrophobicContact CD1-CG1 3.85Å; L593-V653 HydrophobicContact CD2-CG1 4.03Å; L593-K654 HydrophobicContact CD2-CB 3.67Å; L593-K654 HydrophobicContact CD2-CG 4.04Å; L593-M657 HydrophobicContact CB-CE 4.41Å; L593-M657 HydrophobicContact CD2-SD 3.89Å; L593-I710 HydrophobicContact CD1-CD1 3.86Å
594	D	94.6	Very high	92.3	Very high	5 Å²	5	25 Å²	25	3%	0.027	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-48	-177.4	-67.8	-4.8	0	0	0	110.6	L590 T596 Y597 H598 Y650 K654	L590-D594 WeakPolarHBondContact O-CB 3.07Å; L590-D594 PolarHBondContact O-N 3.29Å; D594-T596 VanDerWaalsContact C-N 3.29Å; D594-T596 PolarHBondContact O-N 3Å; D594-Y597 PolarHBondContact O-N 2.86Å; D594-H598 PolarHBondContact O-CD2 3.17Å; D594-H598 PolarHBondContact O-N 3.41Å; D594-Y650 WeakPolarHBondContact OD1-CE2 3.43Å; D594-Y650 PolarHBondContact OD1-OH 3.06Å; D594-K654 WeakPolarHBondContact OD1-CE 3.47Å; D594-K654 IonicContact OD1-NZ 3.85Å; D594-K654 PolarHBondContact OD1-NZ 3.5Å; D594-K654 IonicContact OD2-NZ 3.34Å; D594-K654 PolarHBondContact OD2-NZ 3.43Å
595	F	95.4	Very high	92	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-32.2	172.3	-83.1	-106.5	0	0	0	112.3	W531 F535 E557 H591 R599 M604 V618 V621 A622 W633	W531-F595 HydrophobicContact CH2-CD1 4.42Å; W531-F595 HydrophobicContact CH2-CE1 4.11Å; W531-F595 HydrophobicContact CH2-CZ 4.47Å; W531-F595 HydrophobicContact CZ2-CD1 4.25Å; W531-F595 AromaticContact CZ2-CE1 3.82Å; W531-F595 HydrophobicContact CZ2-CE1 3.82Å; W531-F595 HydrophobicContact CZ2-CE2 4.11Å; W531-F595 AromaticContact CZ2-CZ 3.75Å; W531-F595 HydrophobicContact CZ2-CZ 3.75Å; F535-F595 HydrophobicContact CD2-CZ 4.23Å; F535-F595 HydrophobicContact CE2-CE1 4.09Å; F535-F595 AromaticContact CE2-CZ 3.72Å; F535-F595 HydrophobicContact CE2-CZ 3.72Å; F535-F595 HydrophobicContact CZ-CE1 4.15Å; F535-F595 HydrophobicContact CZ-CZ 4.24Å; E557-F595 HydrophobicContact CG-CE2 4.15Å; H591-F595 AromaticContact CE1-CD2 3.96Å; H591-F595 AromaticContact CE1-CE2 3.39Å; H591-F595 WeakPolarHBondContact CE1-CE2 3.39Å; H591-F595 AromaticContact ND1-CE2 3.97Å; H591-F595 AromaticContact NE2-CD2 3.88Å; H591-F595 AromaticContact NE2-CE2 3.65Å; H591-F595 VanDerWaalsContact O-CD2 3.27Å; H591-F595 WeakPolarHBondContact O-CD2 3.42Å; H591-F595 PolarHBondContact O-N 2.86Å; H591-F595 VanDerWaalsContact O-N 3.15Å; F595-R599 WeakPolarHBondContact O-CB 3.12Å; F595-R599 PolarHBondContact O-N 3.4Å; F595-M604 HydrophobicContact CB-CE 3.74Å; F595-M604 HydrophobicContact CD1-CE 3.53Å; F595-M604 HydrophobicContact CD1-SD 4.47Å; F595-M604 HydrophobicContact CG-CE 4.05Å; F595-M604 WeakPolarHBondContact O-CE 3.26Å; F595-V618 HydrophobicContact CD1-CG1 4.13Å; F595-V618 HydrophobicContact CE1-CG1 3.75Å; F595-V621 HydrophobicContact CE1-CB 4.19Å; F595-V621 HydrophobicContact CE1-CG1 4.05Å; F595-V621 HydrophobicContact CZ-CB 4.39Å; F595-V621 HydrophobicContact CZ-CG1 3.75Å; F595-A622 HydrophobicContact CB-CB 3.67Å; F595-A622 HydrophobicContact CD1-CB 3.47Å; F595-A622 VanDerWaalsContact CD1-CB 3.47Å; F595-A622 HydrophobicContact CE1-CB 4.33Å; F595-A622 HydrophobicContact CG-CB 3.77Å; F595-W633 HydrophobicContact CB-CZ2 4.38Å
596	T	95.1	Very high	92	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-65.3	-42.7	174.2	-58.1	0	0	0	0	111.2	I592 L593 D594 R599 F600 W633 L640	I592-T596 VanDerWaalsContact O-CB 3.26Å; I592-T596 WeakPolarHBondContact O-CB 3.31Å; I592-T596 PolarHBondContact O-N 3.14Å; I592-T596 PolarHBondContact O-OG1 2.93Å; L593-T596 CarbonylContact O-C 3.56Å; L593-T596 WeakPolarHBondContact O-CA 3.34Å; L593-T596 VanDerWaalsContact O-CB 3.3Å; L593-T596 WeakPolarHBondContact O-CB 3.26Å; L593-T596 PolarHBondContact O-N 3.05Å; D594-T596 VanDerWaalsContact C-N 3.29Å; D594-T596 PolarHBondContact O-N 3Å; T596-R599 PolarHBondContact O-N 3.24Å; T596-F600 WeakPolarHBondContact O-CB 3.31Å; T596-F600 PolarHBondContact O-N 3.42Å; T596-W633 PolarHBondContact OG1-NE1 3.3Å; T596-L640 HydrophobicContact CG2-CD1 3.53Å
597	Y	93.6	Very high	91.9	Very high	26 Å²	26	30.4 Å²	30.4	10%	0.102	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-45.4	175.5	-179.3	-111.1	0	0	0	111.6	L593 D594 R599 F600 C601 F645 R647 Y650	L593-Y597 PolarHBondContact O-N 2.89Å; D594-Y597 PolarHBondContact O-N 2.86Å; Y597-R599 VanDerWaalsContact C-N 3.3Å; Y597-R599 PolarHBondContact O-N 3.39Å; Y597-F600 WeakPolarHBondContact O-CB 3.26Å; Y597-F600 PolarHBondContact O-N 2.81Å; Y597-F600 VanDerWaalsContact O-N 3.13Å; Y597-C601 VanDerWaalsContact CE2-SG 3.58Å; Y597-C601 VanDerWaalsContact CZ-SG 3.55Å; Y597-C601 PolarHBondContact O-N 3.14Å; Y597-C601 PolarHBondContact O-SG 2.89Å; Y597-F645 HydrophobicContact CD2-CE1 4.05Å; Y597-R647 HydrophobicContact CE2-CB 4.36Å; Y597-R647 VanDerWaalsContact OH-CB 3.29Å; Y597-R647 WeakPolarHBondContact OH-CB 3.46Å; Y597-Y650 AromaticContact CD1-CD1 3.57Å; Y597-Y650 HydrophobicContact CD1-CD1 3.57Å; Y597-Y650 HydrophobicContact CD1-CD2 4.22Å; Y597-Y650 AromaticContact CD1-CE1 3.47Å; Y597-Y650 HydrophobicContact CD1-CE1 3.47Å; Y597-Y650 VanDerWaalsContact CD1-CE1 3.47Å; Y597-Y650 HydrophobicContact CD1-CE2 4.14Å; Y597-Y650 AromaticContact CD1-CG 3.95Å; Y597-Y650 HydrophobicContact CD1-CG 3.95Å; Y597-Y650 AromaticContact CD1-CZ 3.76Å; Y597-Y650 AromaticContact CD2-CD1 3.82Å; Y597-Y650 HydrophobicContact CD2-CD1 3.82Å; Y597-Y650 HydrophobicContact CD2-CD2 4.14Å; Y597-Y650 AromaticContact CD2-CG 3.58Å; Y597-Y650 HydrophobicContact CD2-CG 3.58Å; Y597-Y650 AromaticContact CE1-CD1 3.58Å; Y597-Y650 HydrophobicContact CE1-CD1 3.58Å; Y597-Y650 AromaticContact CE1-CE1 3.58Å; Y597-Y650 HydrophobicContact CE1-CE1 3.58Å; Y597-Y650 HydrophobicContact CE1-CG 4.31Å; Y597-Y650 AromaticContact CE2-CD1 3.82Å; Y597-Y650 HydrophobicContact CE2-CD1 3.82Å; Y597-Y650 AromaticContact CE2-CG 3.96Å; Y597-Y650 HydrophobicContact CE2-CG 3.96Å; Y597-Y650 AromaticContact CG-CD1 3.7Å; Y597-Y650 HydrophobicContact CG-CD1 3.7Å; Y597-Y650 AromaticContact CG-CD2 3.76Å; Y597-Y650 HydrophobicContact CG-CD2 3.76Å; Y597-Y650 AromaticContact CG-CE1 3.98Å; Y597-Y650 HydrophobicContact CG-CE1 3.98Å; Y597-Y650 HydrophobicContact CG-CE2 4.05Å; Y597-Y650 AromaticContact CG-CG 3.57Å; Y597-Y650 HydrophobicContact CG-CG 3.57Å; Y597-Y650 AromaticContact CZ-CD1 3.7Å
598	H	91.5	Very high	91.7	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.014	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-29.4	175.3	-63.8	-51.3	0	0	0	113.5	W531 D594 N603 M604	W531-H598 AromaticContact CD1-CD2 3.62Å; W531-H598 AromaticContact CD1-CE1 3.87Å; W531-H598 AromaticContact CD1-NE2 3.13Å; W531-H598 HydrophobicContact CD2-CB 4.49Å; W531-H598 AromaticContact CD2-CD2 3.39Å; W531-H598 AromaticContact CD2-CE1 3.92Å; W531-H598 AromaticContact CD2-CG 3.72Å; W531-H598 AromaticContact CD2-NE2 3.55Å; W531-H598 AromaticContact CE2-CD2 3.46Å; W531-H598 VanDerWaalsContact CE2-CD2 3.46Å; W531-H598 AromaticContact CE2-NE2 3.86Å; W531-H598 HydrophobicContact CE3-CB 4.03Å; W531-H598 AromaticContact CE3-CD2 3.83Å; W531-H598 AromaticContact CE3-CG 3.66Å; W531-H598 AromaticContact CE3-ND1 4Å; W531-H598 AromaticContact CG-CD2 3.66Å; W531-H598 AromaticContact CG-CE1 3.54Å; W531-H598 AromaticContact CG-NE2 3.23Å; W531-H598 HydrophobicContact CH2-CB 4.39Å; W531-H598 HydrophobicContact CZ3-CB 3.99Å; W531-H598 AromaticContact NE1-CD2 3.64Å; W531-H598 AromaticContact NE1-NE2 3.64Å; D594-H598 PolarHBondContact O-CD2 3.17Å; D594-H598 PolarHBondContact O-N 3.41Å; H598-N603 CarbonylContact O-C 3.56Å; H598-N603 WeakPolarHBondContact O-CA 3.34Å; H598-N603 PolarHBondContact O-N 3.45Å; H598-M604 PolarHBondContact O-N 3.36Å
599	R	90.9	Very high	91.5	Very high	99 Å²	99	34 Å²	34	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-68.4	-43.3	169.6	178.8	162.8	176.8	74.5	-9.6	111.6	F595 T596 Y597 A602 M604 W633 D634	F595-R599 WeakPolarHBondContact O-CB 3.12Å; F595-R599 PolarHBondContact O-N 3.4Å; T596-R599 PolarHBondContact O-N 3.24Å; Y597-R599 VanDerWaalsContact C-N 3.3Å; Y597-R599 PolarHBondContact O-N 3.39Å; R599-A602 PolarHBondContact O-N 3.22Å; R599-M604 HydrophobicContact CB-CB 4.49Å; R599-M604 HydrophobicContact CB-CE 3.95Å; R599-M604 HydrophobicContact CB-SD 4.43Å; R599-W633 HydrophobicContact CB-CH2 4.3Å; R599-W633 HydrophobicContact CB-CZ2 4.26Å; R599-W633 HydrophobicContact CG-CH2 4.45Å; R599-D634 IonicContact CZ-OD1 2.81Å; R599-D634 IonicContact NE-OD1 3.51Å; R599-D634 IonicContact NH2-OD1 3.91Å; R599-D634 PolarHBondContact NH2-OD1 3.35Å
600	F	87.5	Confident	91.4	Very high	74 Å²	74	33.5 Å²	33.5	33%	0.325	18%	0.183	S	C	.	.	H	α-helix	trans	-63.5	-45.1	178.1	177.5	-103.6	0	0	0	112.4	T596 Y597 A602 T641 F645	T596-F600 WeakPolarHBondContact O-CB 3.31Å; T596-F600 PolarHBondContact O-N 3.42Å; Y597-F600 WeakPolarHBondContact O-CB 3.26Å; Y597-F600 PolarHBondContact O-N 2.81Å; Y597-F600 VanDerWaalsContact O-N 3.13Å; F600-A602 PolarHBondContact O-N 2.97Å; F600-T641 HydrophobicContact CE2-CG2 4.49Å; F600-F645 HydrophobicContact CD1-CD1 4.07Å; F600-F645 HydrophobicContact CE1-CD1 4.4Å; F600-F645 WeakPolarHBondContact CE1-O 3.48Å; F600-F645 HydrophobicContact CG-CD1 4.2Å; F600-F645 HydrophobicContact CZ-CB 4.46Å; F600-F645 WeakPolarHBondContact CZ-O 3.4Å
601	C	84.4	Confident	91.1	Very high	43 Å²	43	39.8 Å²	39.8	29%	0.291	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	9.7	175.3	-61.1	0	0	0	0	114.5	Y597 N603	Y597-C601 VanDerWaalsContact CE2-SG 3.58Å; Y597-C601 VanDerWaalsContact CZ-SG 3.55Å; Y597-C601 PolarHBondContact O-N 3.14Å; Y597-C601 PolarHBondContact O-SG 2.89Å; C601-N603 HydrophobicContact CB-CB 4.45Å; C601-N603 PolarHBondContact O-N 3.47Å
602	A	80.2	Confident	90.7	Very high	86 Å²	86	42.9 Å²	42.9	71%	0.711	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	14.9	-172.8	0	0	0	0	0	115.5	R599 F600 M604	R599-A602 PolarHBondContact O-N 3.22Å; F600-A602 PolarHBondContact O-N 2.97Å; A602-M604 VanDerWaalsContact C-N 3.33Å; A602-M604 PolarHBondContact O-N 3.32Å
603	N	77	Confident	90.3	Very high	72 Å²	72	45.3 Å²	45.3	39%	0.385	26%	0.255	S	S	.	.			trans	-85	-2.7	-177.8	-73.6	-32.2	0	0	0	113.3	Q532 H598 C601 P605	Q532-N603 VanDerWaalsContact CG-O 3.31Å; Q532-N603 WeakPolarHBondContact CG-O 3.4Å; Q532-N603 PolarHBondContact NE2-O 3.06Å; H598-N603 CarbonylContact O-C 3.56Å; H598-N603 WeakPolarHBondContact O-CA 3.34Å; H598-N603 PolarHBondContact O-N 3.45Å; C601-N603 HydrophobicContact CB-CB 4.45Å; C601-N603 PolarHBondContact O-N 3.47Å; N603-P605 WeakPolarHBondContact O-CD 3.47Å
604	M	86.8	Confident	90.1	Very high	30 Å²	30	49.2 Å²	49.2	15%	0.148	27%	0.273	C	S	.	.			trans	-92.2	119.4	176.6	-173	-179.7	-59.7	0	0	112.6	F595 H598 R599 A602 V618 W633	F595-M604 HydrophobicContact CB-CE 3.74Å; F595-M604 HydrophobicContact CD1-CE 3.53Å; F595-M604 HydrophobicContact CD1-SD 4.47Å; F595-M604 HydrophobicContact CG-CE 4.05Å; F595-M604 WeakPolarHBondContact O-CE 3.26Å; H598-M604 PolarHBondContact O-N 3.36Å; R599-M604 HydrophobicContact CB-CB 4.49Å; R599-M604 HydrophobicContact CB-CE 3.95Å; R599-M604 HydrophobicContact CB-SD 4.43Å; A602-M604 VanDerWaalsContact C-N 3.33Å; A602-M604 PolarHBondContact O-N 3.32Å; M604-V618 HydrophobicContact CG-CB 4.16Å; M604-V618 HydrophobicContact CG-CG1 3.68Å; M604-V618 HydrophobicContact SD-CB 4.28Å; M604-V618 HydrophobicContact SD-CG1 3.8Å; M604-W633 HydrophobicContact CE-CH2 3.81Å; M604-W633 HydrophobicContact CE-CZ2 4.22Å; M604-W633 HydrophobicContact SD-CH2 3.81Å
605	P	89.5	Confident	90	Very high	30 Å²	30	55.5 Å²	55.5	20%	0.195	30%	0.296	C	S	.	.			trans	-74.4	148.6	171.1	28.6	-29	0	0	0	111.4	L536 N603 S607 V618	L536-P605 HydrophobicContact CD2-CG 3.96Å; L536-P605 HydrophobicContact CG-CG 4.32Å; N603-P605 WeakPolarHBondContact O-CD 3.47Å; P605-S607 VanDerWaalsContact C-N 3.29Å; P605-S607 PolarHBondContact O-N 3.01Å; P605-V618 HydrophobicContact CG-CG2 4.24Å; P605-V618 VanDerWaalsContact O-CB 3.27Å; P605-V618 WeakPolarHBondContact O-CB 3.26Å; P605-V618 WeakPolarHBondContact O-CG2 2.99Å
606	E	91.4	Very high	89.9	Confident	122 Å²	122	55.5 Å²	55.5	57%	0.57	30%	0.296	S	S	*	.	S	Bend	trans	-59.2	-40.1	179.3	-165.7	-137.9	163.4	0	0	112.3	R615 V618	E606-R615 IonicContact OE1-NH2 3.86Å; E606-R615 IonicContact OE2-CZ 2.79Å; E606-R615 IonicContact OE2-NH2 3.41Å; E606-R615 PolarHBondContact OE2-NH2 3.29Å; E606-V618 PolarHBondContact O-N 3.4Å
607	S	93.3	Very high	89.9	Confident	24 Å²	24	61 Å²	61	17%	0.168	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	154.6	-179.2	69.1	0	0	0	0	112.2	P605 R615 L616	P605-S607 VanDerWaalsContact C-N 3.29Å; P605-S607 PolarHBondContact O-N 3.01Å; S607-R615 VanDerWaalsContact OG-CZ 3.28Å; S607-R615 PolarHBondContact OG-NE 3.42Å; S607-R615 PolarHBondContact OG-NH2 3.39Å; S607-L616 CarbonylContact C-O 3.25Å; S607-L616 WeakPolarHBondContact CA-O 3.46Å; S607-L616 VanDerWaalsContact CB-O 3.26Å; S607-L616 WeakPolarHBondContact CB-O 3.39Å
608	V	92.8	Very high	90	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.6	163.7	-162.9	0	0	0	0	109.2	F535 L536 K540 R615 L616 V618	F535-V608 HydrophobicContact CE1-CG2 3.91Å; L536-V608 HydrophobicContact CD2-CB 4.32Å; L536-V608 HydrophobicContact CD2-CG1 3.85Å; L536-V608 HydrophobicContact CD2-CG2 3.76Å; K540-V608 HydrophobicContact CG-CG1 3.76Å; V608-R615 WeakPolarHBondContact O-CA 3.23Å; V608-L616 PolarHBondContact N-O 3.2Å; V608-L616 PolarHBondContact O-N 3.37Å; V608-V618 HydrophobicContact CG2-CG2 3.88Å
609	T	93.7	Very high	90.2	Very high	78 Å²	78	61.7 Å²	61.7	48%	0.479	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	121.8	165.8	-53.1	0	0	0	0	108.6
610	L	93.2	Very high	90.4	Very high	5 Å²	5	58 Å²	58	3%	0.026	32%	0.317	C	S	.	.			trans	-74	162.2	176.9	-61.7	-166.3	0	0	0	111.3	S539 L542 A549 N612 G613 Q614 L616	S539-L610 WeakPolarHBondContact O-CD2 3.37Å; L542-L610 HydrophobicContact CB-CD2 4.28Å; L542-L610 WeakPolarHBondContact O-CB 3.34Å; A549-L610 HydrophobicContact CB-CD1 3.86Å; L610-N612 WeakPolarHBondContact CB-OD1 3.43Å; L610-N612 PolarHBondContact O-N 3.44Å; L610-G613 WeakPolarHBondContact O-CA 3.43Å; L610-G613 PolarHBondContact O-N 2.99Å; L610-Q614 WeakPolarHBondContact CB-O 3.32Å; L610-Q614 HydrophobicContact CD1-CB 4.3Å; L610-Q614 WeakPolarHBondContact CG-O 3.45Å; L610-Q614 PolarHBondContact N-O 3.32Å; L610-L616 HydrophobicContact CD1-CB 4.32Å; L610-L616 HydrophobicContact CD2-CB 3.85Å; L610-L616 HydrophobicContact CD2-CD2 4.05Å; L610-L616 HydrophobicContact CG-CB 4.07Å
611	E	91.2	Very high	90.9	Very high	133 Å²	133	54.5 Å²	54.5	62%	0.621	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.6	178.4	-179.4	-179.4	-136.7	0	0	112	K540 L542 S543 G613	K540-E611 WeakPolarHBondContact O-CB 3.47Å; K540-E611 PolarHBondContact O-N 2.84Å; K540-E611 VanDerWaalsContact O-N 3.08Å; L542-E611 PolarHBondContact O-N 3.28Å; L542-E611 VanDerWaalsContact O-N 3.08Å; S543-E611 WeakPolarHBondContact CB-OE2 3.48Å; S543-E611 PolarHBondContact OG-OE2 2.96Å; E611-G613 PolarHBondContact O-N 3.29Å
612	N	88.9	Confident	91.5	Very high	64 Å²	64	52.4 Å²	52.4	34%	0.342	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	6.9	176.5	67.6	18.5	0	0	0	114.4	S543 C544 L610 Q614	S543-N612 PolarHBondContact O-ND2 3.36Å; C544-N612 PolarHBondContact O-ND2 3Å; L610-N612 WeakPolarHBondContact CB-OD1 3.43Å; L610-N612 PolarHBondContact O-N 3.44Å; N612-Q614 VanDerWaalsContact C-N 3.32Å; N612-Q614 PolarHBondContact O-N 2.86Å; N612-Q614 VanDerWaalsContact OD1-CB 3.26Å; N612-Q614 WeakPolarHBondContact OD1-CB 3.4Å; N612-Q614 VanDerWaalsContact OD1-CG 3.3Å; N612-Q614 WeakPolarHBondContact OD1-CG 3.39Å; N612-Q614 PolarHBondContact OD1-N 2.92Å
613	G	89.8	Confident	92.3	Very high	53 Å²	53	48.4 Å²	48.4	55%	0.546	25%	0.254	S	S	.	.	S	Bend	trans	80.4	-3.6	-179.7	0	0	0	0	0	115.9	L610 E611	L610-G613 WeakPolarHBondContact O-CA 3.43Å; L610-G613 PolarHBondContact O-N 2.99Å; E611-G613 PolarHBondContact O-N 3.29Å
614	Q	90.4	Very high	93.3	Very high	84 Å²	84	45 Å²	45	39%	0.393	24%	0.236	S	C	.	.			trans	-71	144	175.7	-64	-177.7	11.8	0	0	111	L610 N612	L610-Q614 WeakPolarHBondContact CB-O 3.32Å; L610-Q614 HydrophobicContact CD1-CB 4.3Å; L610-Q614 WeakPolarHBondContact CG-O 3.45Å; L610-Q614 PolarHBondContact N-O 3.32Å; N612-Q614 VanDerWaalsContact C-N 3.32Å; N612-Q614 PolarHBondContact O-N 2.86Å; N612-Q614 VanDerWaalsContact OD1-CB 3.26Å; N612-Q614 WeakPolarHBondContact OD1-CB 3.4Å; N612-Q614 VanDerWaalsContact OD1-CG 3.3Å; N612-Q614 WeakPolarHBondContact OD1-CG 3.39Å; N612-Q614 PolarHBondContact OD1-N 2.92Å
615	R	93.2	Very high	93.7	Very high	136 Å²	136	43.9 Å²	43.9	51%	0.513	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	115.4	169.2	-74.3	-177.7	68.9	-160.6	-0.7	110.1	N546 E606 S607 V608	N546-R615 PolarHBondContact ND2-O 2.89Å; E606-R615 IonicContact OE1-NH2 3.86Å; E606-R615 IonicContact OE2-CZ 2.79Å; E606-R615 IonicContact OE2-NH2 3.41Å; E606-R615 PolarHBondContact OE2-NH2 3.29Å; S607-R615 VanDerWaalsContact OG-CZ 3.28Å; S607-R615 PolarHBondContact OG-NE 3.42Å; S607-R615 PolarHBondContact OG-NH2 3.39Å; V608-R615 WeakPolarHBondContact O-CA 3.23Å
616	L	94	Very high	93.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.3	168.1	169.3	57.5	0	0	0	109.1	A549 I550 S607 V608 L610 V621	A549-L616 HydrophobicContact CB-CD2 4.11Å; I550-L616 HydrophobicContact CD1-CD1 4.18Å; I550-L616 HydrophobicContact CG1-CD1 3.54Å; S607-L616 CarbonylContact C-O 3.25Å; S607-L616 WeakPolarHBondContact CA-O 3.46Å; S607-L616 VanDerWaalsContact CB-O 3.26Å; S607-L616 WeakPolarHBondContact CB-O 3.39Å; V608-L616 PolarHBondContact N-O 3.2Å; V608-L616 PolarHBondContact O-N 3.37Å; L610-L616 HydrophobicContact CD1-CB 4.32Å; L610-L616 HydrophobicContact CD2-CB 3.85Å; L610-L616 HydrophobicContact CD2-CD2 4.05Å; L610-L616 HydrophobicContact CG-CB 4.07Å; L616-V621 HydrophobicContact CD1-CG2 4.04Å; L616-V621 HydrophobicContact CD2-CG2 3.96Å; L616-V621 HydrophobicContact CG-CG2 4.15Å
617	K	94.5	Very high	93.9	Very high	117 Å²	117	41.8 Å²	41.8	51%	0.509	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.2	173.3	-68.9	-163.7	174.3	-156.8	0	110.6	T619 S620	K617-T619 VanDerWaalsContact C-N 3.31Å; K617-T619 PolarHBondContact O-N 2.85Å; K617-S620 WeakPolarHBondContact O-CB 3.25Å; K617-S620 PolarHBondContact O-N 2.83Å
618	V	95.2	Very high	93.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70	-30.9	-176.9	-173.9	0	0	0	0	111.6	F535 F595 M604 P605 E606 V608 S620 V621 A622	F535-V618 HydrophobicContact CE1-CG1 3.78Å; F535-V618 HydrophobicContact CE1-CG2 3.94Å; F535-V618 HydrophobicContact CZ-CG1 3.92Å; F535-V618 HydrophobicContact CZ-CG2 4.49Å; F595-V618 HydrophobicContact CD1-CG1 4.13Å; F595-V618 HydrophobicContact CE1-CG1 3.75Å; M604-V618 HydrophobicContact CG-CB 4.16Å; M604-V618 HydrophobicContact CG-CG1 3.68Å; M604-V618 HydrophobicContact SD-CB 4.28Å; M604-V618 HydrophobicContact SD-CG1 3.8Å; P605-V618 HydrophobicContact CG-CG2 4.24Å; P605-V618 VanDerWaalsContact O-CB 3.27Å; P605-V618 WeakPolarHBondContact O-CB 3.26Å; P605-V618 WeakPolarHBondContact O-CG2 2.99Å; E606-V618 PolarHBondContact O-N 3.4Å; V608-V618 HydrophobicContact CG2-CG2 3.88Å; V618-S620 PolarHBondContact O-N 2.99Å; V618-S620 VanDerWaalsContact O-N 3.15Å; V618-V621 WeakPolarHBondContact O-CA 3.23Å; V618-V621 WeakPolarHBondContact O-CB 3.5Å; V618-V621 PolarHBondContact O-N 3.41Å; V618-A622 PolarHBondContact O-N 3.04Å
619	T	96	Very high	94	Very high	42 Å²	42	47.6 Å²	47.6	26%	0.258	25%	0.25	S	S	.	.	H	α-helix	trans	-51.4	-34.6	167.9	-48.3	0	0	0	0	113	K617 V621 L623 A630 W633	K617-T619 VanDerWaalsContact C-N 3.31Å; K617-T619 PolarHBondContact O-N 2.85Å; T619-V621 VanDerWaalsContact C-N 3.35Å; T619-L623 HydrophobicContact CG2-CD1 4.01Å; T619-L623 WeakPolarHBondContact O-CB 3.44Å; T619-L623 WeakPolarHBondContact O-CG 3.45Å; T619-L623 PolarHBondContact O-N 3.14Å; T619-A630 HydrophobicContact CG2-CB 4.41Å; T619-W633 HydrophobicContact CG2-CE3 4.11Å; T619-W633 HydrophobicContact CG2-CZ3 3.89Å
620	S	96.2	Very high	94.2	Very high	22 Å²	22	45.2 Å²	45.2	15%	0.154	24%	0.238	C	C	.	.	H	α-helix	trans	-77	-21.3	178.2	-55.4	0	0	0	0	113.1	K617 V618 A625	K617-S620 WeakPolarHBondContact O-CB 3.25Å; K617-S620 PolarHBondContact O-N 2.83Å; V618-S620 PolarHBondContact O-N 2.99Å; V618-S620 VanDerWaalsContact O-N 3.15Å; S620-A625 VanDerWaalsContact O-CA 3.31Å; S620-A625 WeakPolarHBondContact O-CA 3.21Å; S620-A625 PolarHBondContact O-N 3.37Å
621	V	96.6	Very high	94.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-80.5	-47.9	169.4	-173.9	0	0	0	0	110	F535 I550 I554 H591 F595 L616 V618 T619 L623 L624	F535-V621 HydrophobicContact CE2-CG1 4.15Å; F535-V621 HydrophobicContact CZ-CB 4.45Å; F535-V621 HydrophobicContact CZ-CG1 4.3Å; F535-V621 HydrophobicContact CZ-CG2 4.37Å; I550-V621 HydrophobicContact CG1-CG2 4.09Å; I554-V621 HydrophobicContact CG1-CG1 4.18Å; H591-V621 PolarHBondContact NE2-O 3.03Å; F595-V621 HydrophobicContact CE1-CB 4.19Å; F595-V621 HydrophobicContact CE1-CG1 4.05Å; F595-V621 HydrophobicContact CZ-CB 4.39Å; F595-V621 HydrophobicContact CZ-CG1 3.75Å; L616-V621 HydrophobicContact CD1-CG2 4.04Å; L616-V621 HydrophobicContact CD2-CG2 3.96Å; L616-V621 HydrophobicContact CG-CG2 4.15Å; V618-V621 WeakPolarHBondContact O-CA 3.23Å; V618-V621 WeakPolarHBondContact O-CB 3.5Å; V618-V621 PolarHBondContact O-N 3.41Å; T619-V621 VanDerWaalsContact C-N 3.35Å; V621-L623 VanDerWaalsContact C-N 3.31Å; V621-L623 PolarHBondContact O-N 3.12Å; V621-L624 PolarHBondContact O-N 3.45Å
622	A	96.9	Very high	94.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-51.2	-49.2	177.2	0	0	0	0	0	112	H591 I592 F595 V618 L624 W633	H591-A622 PolarHBondContact CD2-O 3.3Å; H591-A622 VanDerWaalsContact CD2-O 3.29Å; I592-A622 VanDerWaalsContact CG1-O 3.29Å; I592-A622 WeakPolarHBondContact CG1-O 3.32Å; F595-A622 HydrophobicContact CB-CB 3.67Å; F595-A622 HydrophobicContact CD1-CB 3.47Å; F595-A622 VanDerWaalsContact CD1-CB 3.47Å; F595-A622 HydrophobicContact CE1-CB 4.33Å; F595-A622 HydrophobicContact CG-CB 3.77Å; V618-A622 PolarHBondContact O-N 3.04Å; A622-L624 VanDerWaalsContact C-N 3.31Å; A622-L624 PolarHBondContact O-N 2.93Å; A622-W633 HydrophobicContact CB-CH2 3.62Å; A622-W633 HydrophobicContact CB-CZ2 3.93Å; A622-W633 HydrophobicContact CB-CZ3 4.19Å
623	L	97.9	Very high	95	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	24.2	-175.7	-58.9	179.1	0	0	0	113.7	T619 V621 A625 L626 A630 W633 L713	T619-L623 HydrophobicContact CG2-CD1 4.01Å; T619-L623 WeakPolarHBondContact O-CB 3.44Å; T619-L623 WeakPolarHBondContact O-CG 3.45Å; T619-L623 PolarHBondContact O-N 3.14Å; V621-L623 VanDerWaalsContact C-N 3.31Å; V621-L623 PolarHBondContact O-N 3.12Å; L623-A625 PolarHBondContact O-N 3.4Å; L623-A625 VanDerWaalsContact O-N 3.14Å; L623-L626 WeakPolarHBondContact O-CA 3.49Å; L623-L626 WeakPolarHBondContact O-CB 3.37Å; L623-L626 PolarHBondContact O-N 3.02Å; L623-A630 HydrophobicContact CD1-CB 4.23Å; L623-W633 HydrophobicContact CD1-CB 4.14Å; L623-W633 HydrophobicContact CD1-CD2 4.41Å; L623-W633 HydrophobicContact CD1-CE3 4.1Å; L623-W633 HydrophobicContact CD1-CG 4.48Å; L623-W633 HydrophobicContact CD2-CB 3.85Å; L623-W633 HydrophobicContact CD2-CD2 3.84Å; L623-W633 HydrophobicContact CD2-CE3 4.27Å; L623-W633 HydrophobicContact CD2-CG 3.67Å; L623-W633 HydrophobicContact CG-CD2 4.3Å; L623-W633 HydrophobicContact CG-CE3 4.22Å; L623-L713 HydrophobicContact CD2-CD1 4.29Å; L623-L713 HydrophobicContact CD2-CD2 4.41Å
624	L	97.5	Very high	95.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	40.4	172.8	-57	174.3	0	0	0	112.6	I554 W587 A588 H591 I592 V621 A622 L626 L721	I554-L624 HydrophobicContact CD1-CD2 3.79Å; I554-L624 HydrophobicContact CG1-CD2 4.15Å; I554-L624 HydrophobicContact CG2-CD2 4.17Å; W587-L624 HydrophobicContact CH2-CD1 4.47Å; W587-L624 HydrophobicContact CH2-CD2 4.16Å; W587-L624 HydrophobicContact CZ3-CD1 4.49Å; W587-L624 HydrophobicContact CZ3-CD2 3.76Å; A588-L624 HydrophobicContact CB-CD1 3.69Å; H591-L624 HydrophobicContact CB-CD2 4.48Å; H591-L624 VanDerWaalsContact CD2-CD2 3.47Å; H591-L624 WeakPolarHBondContact CD2-CD2 3.18Å; I592-L624 HydrophobicContact CD1-CD1 4.22Å; V621-L624 PolarHBondContact O-N 3.45Å; A622-L624 VanDerWaalsContact C-N 3.31Å; A622-L624 PolarHBondContact O-N 2.93Å; L624-L626 PolarHBondContact O-N 3Å; L624-L721 HydrophobicContact CB-CD1 3.8Å; L624-L721 HydrophobicContact CB-CG 4.42Å; L624-L721 HydrophobicContact CD2-CD1 4.16Å; L624-L721 WeakPolarHBondContact O-CG 3.33Å
625	A	95.8	Very high	95.6	Very high	6 Å²	6	44.8 Å²	44.8	5%	0.05	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	7.4	-171.3	0	0	0	0	0	117.3	F547 I550 S620 L623 T627 Y720 L721	F547-A625 HydrophobicContact CD2-CB 4.16Å; F547-A625 HydrophobicContact CE2-CB 3.84Å; I550-A625 HydrophobicContact CD1-CB 4.2Å; I550-A625 HydrophobicContact CG2-CB 4.05Å; S620-A625 VanDerWaalsContact O-CA 3.31Å; S620-A625 WeakPolarHBondContact O-CA 3.21Å; S620-A625 PolarHBondContact O-N 3.37Å; L623-A625 PolarHBondContact O-N 3.4Å; L623-A625 VanDerWaalsContact O-N 3.14Å; A625-T627 PolarHBondContact O-N 3.42Å; A625-Y720 HydrophobicContact CB-CD1 4.15Å; A625-Y720 HydrophobicContact CB-CE1 3.69Å; A625-Y720 VanDerWaalsContact O-CE1 3.32Å; A625-Y720 WeakPolarHBondContact O-CE1 3.37Å; A625-L721 HydrophobicContact CB-CD2 4.19Å
626	L	94.3	Very high	95.7	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.047	21%	0.209	C	C	.	.			trans	-78.5	74.6	173.9	-169.8	76.3	0	0	0	111.3	L623 L624 E628 G629 L713 R716	L623-L626 WeakPolarHBondContact O-CA 3.49Å; L623-L626 WeakPolarHBondContact O-CB 3.37Å; L623-L626 PolarHBondContact O-N 3.02Å; L624-L626 PolarHBondContact O-N 3Å; L626-E628 HydrophobicContact CD1-CG 3.74Å; L626-E628 HydrophobicContact CG-CG 3.82Å; L626-E628 PolarHBondContact O-N 2.9Å; L626-E628 VanDerWaalsContact O-N 3.14Å; L626-G629 PolarHBondContact O-N 3.49Å; L626-L713 HydrophobicContact CD2-CD2 4.38Å; L626-R716 HydrophobicContact CD1-CB 4.19Å; L626-R716 HydrophobicContact CD2-CB 3.57Å
627	T	91.4	Very high	95.8	Very high	100 Å²	100	39.2 Å²	39.2	61%	0.613	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-61.2	-24.2	-175.3	50.8	0	0	0	0	114.6	A625 G629	A625-T627 PolarHBondContact O-N 3.42Å; T627-G629 VanDerWaalsContact C-N 3.29Å; T627-G629 PolarHBondContact O-N 3.08Å
628	E	92.9	Very high	95.8	Very high	147 Å²	147	39 Å²	39	69%	0.687	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-69.5	-22.1	174.6	58.5	-173.4	-134.8	0	0	113.7	L626 A630	L626-E628 HydrophobicContact CD1-CG 3.74Å; L626-E628 HydrophobicContact CG-CG 3.82Å; L626-E628 PolarHBondContact O-N 2.9Å; L626-E628 VanDerWaalsContact O-N 3.14Å; E628-A630 PolarHBondContact O-N 3.48Å
629	G	95.4	Very high	95.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-73.1	-8.9	179.3	0	0	0	0	0	114.9	L626 T627 A631 E632 W633 L713	L626-G629 PolarHBondContact O-N 3.49Å; T627-G629 VanDerWaalsContact C-N 3.29Å; T627-G629 PolarHBondContact O-N 3.08Å; G629-A631 PolarHBondContact O-N 3.35Å; G629-E632 WeakPolarHBondContact O-CB 3.35Å; G629-E632 PolarHBondContact O-N 3.4Å; G629-E632 VanDerWaalsContact O-N 3.08Å; G629-W633 PolarHBondContact O-N 3.31Å; G629-L713 WeakPolarHBondContact O-CD2 3.5Å
630	A	96.5	Very high	95.5	Very high	28 Å²	28	40 Å²	40	23%	0.231	22%	0.219	C	C	.	.	H	α-helix	trans	-56.8	-47.8	-171.8	0	0	0	0	0	113.4	T619 L623 E628 E632 W633 D634	T619-A630 HydrophobicContact CG2-CB 4.41Å; L623-A630 HydrophobicContact CD1-CB 4.23Å; E628-A630 PolarHBondContact O-N 3.48Å; A630-E632 PolarHBondContact O-N 2.78Å; A630-W633 PolarHBondContact O-N 3.49Å; A630-D634 PolarHBondContact O-N 3.39Å
631	A	96.6	Very high	95.2	Very high	69 Å²	69	42.8 Å²	42.8	57%	0.57	24%	0.236	S	C	*	.	H	α-helix	trans	-72.4	-9.4	-179	0	0	0	0	0	114.4	G629 K635	G629-A631 PolarHBondContact O-N 3.35Å; A631-K635 WeakPolarHBondContact O-CE 3.11Å; A631-K635 WeakPolarHBondContact O-CG 3.44Å
632	E	97.2	Very high	94.9	Very high	57 Å²	57	47.4 Å²	47.4	27%	0.266	27%	0.268	S	S	.	.	H	α-helix	trans	-94.4	-40.5	172.2	-176.1	-179.5	159.1	0	0	110.1	G629 A630 D634 K635 V636 S712 L713 R716	G629-E632 WeakPolarHBondContact O-CB 3.35Å; G629-E632 PolarHBondContact O-N 3.4Å; G629-E632 VanDerWaalsContact O-N 3.08Å; A630-E632 PolarHBondContact O-N 2.78Å; E632-D634 PolarHBondContact O-N 2.95Å; E632-K635 WeakPolarHBondContact O-CB 3.36Å; E632-K635 PolarHBondContact O-N 3.41Å; E632-K635 VanDerWaalsContact O-N 3.15Å; E632-V636 PolarHBondContact O-N 3.08Å; E632-V636 VanDerWaalsContact O-N 3.13Å; E632-S712 WeakPolarHBondContact OE1-CB 3.49Å; E632-S712 PolarHBondContact OE1-OG 2.89Å; E632-L713 HydrophobicContact CB-CD2 4.3Å; E632-L713 HydrophobicContact CG-CD2 4.43Å; E632-R716 IonicContact OE1-NH2 3.48Å; E632-R716 PolarHBondContact OE1-NH2 3.37Å; E632-R716 IonicContact OE2-CZ 2.97Å; E632-R716 IonicContact OE2-NH1 3.63Å; E632-R716 PolarHBondContact OE2-NH1 2.87Å; E632-R716 IonicContact OE2-NH2 2.82Å; E632-R716 PolarHBondContact OE2-NH2 3.4Å
633	W	97.3	Very high	94.6	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-40.5	171.9	-170.9	47.4	0	0	0	112.7	F595 T596 R599 M604 T619 A622 L623 G629 A630 K635 V636 C637 L713	F595-W633 HydrophobicContact CB-CZ2 4.38Å; T596-W633 PolarHBondContact OG1-NE1 3.3Å; R599-W633 HydrophobicContact CB-CH2 4.3Å; R599-W633 HydrophobicContact CB-CZ2 4.26Å; R599-W633 HydrophobicContact CG-CH2 4.45Å; M604-W633 HydrophobicContact CE-CH2 3.81Å; M604-W633 HydrophobicContact CE-CZ2 4.22Å; M604-W633 HydrophobicContact SD-CH2 3.81Å; T619-W633 HydrophobicContact CG2-CE3 4.11Å; T619-W633 HydrophobicContact CG2-CZ3 3.89Å; A622-W633 HydrophobicContact CB-CH2 3.62Å; A622-W633 HydrophobicContact CB-CZ2 3.93Å; A622-W633 HydrophobicContact CB-CZ3 4.19Å; L623-W633 HydrophobicContact CD1-CB 4.14Å; L623-W633 HydrophobicContact CD1-CD2 4.41Å; L623-W633 HydrophobicContact CD1-CE3 4.1Å; L623-W633 HydrophobicContact CD1-CG 4.48Å; L623-W633 HydrophobicContact CD2-CB 3.85Å; L623-W633 HydrophobicContact CD2-CD2 3.84Å; L623-W633 HydrophobicContact CD2-CE3 4.27Å; L623-W633 HydrophobicContact CD2-CG 3.67Å; L623-W633 HydrophobicContact CG-CD2 4.3Å; L623-W633 HydrophobicContact CG-CE3 4.22Å; G629-W633 PolarHBondContact O-N 3.31Å; A630-W633 PolarHBondContact O-N 3.49Å; W633-K635 PolarHBondContact O-N 2.88Å; W633-V636 WeakPolarHBondContact O-CB 3.49Å; W633-V636 PolarHBondContact O-N 3.33Å; W633-V636 VanDerWaalsContact O-N 3.1Å; W633-C637 PolarHBondContact O-N 2.99Å; W633-C637 PolarHBondContact O-SG 3.4Å; W633-C637 VanDerWaalsContact O-SG 3.37Å; W633-L713 HydrophobicContact CB-CD1 3.81Å; W633-L713 HydrophobicContact CG-CD1 4.31Å
634	D	95.9	Very high	94.1	Very high	57 Å²	57	49.7 Å²	49.7	31%	0.305	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-33.8	174.2	-75.3	-34.8	0	0	0	112.2	R599 A630 E632 N638	R599-D634 IonicContact CZ-OD1 2.81Å; R599-D634 IonicContact NE-OD1 3.51Å; R599-D634 IonicContact NH2-OD1 3.91Å; R599-D634 PolarHBondContact NH2-OD1 3.35Å; A630-D634 PolarHBondContact O-N 3.39Å; E632-D634 PolarHBondContact O-N 2.95Å; D634-N638 WeakPolarHBondContact O-CB 3.44Å; D634-N638 PolarHBondContact O-N 3.29Å; D634-N638 PolarHBondContact O-ND2 2.76Å
635	K	96.3	Very high	93.8	Very high	146 Å²	146	50 Å²	50	64%	0.635	29%	0.291	S	S	*	.	H	α-helix	trans	-66.5	-44.3	172.8	-65.5	170.5	-173.9	177.9	0	111.1	A631 E632 W633 N638 Q639	A631-K635 WeakPolarHBondContact O-CE 3.11Å; A631-K635 WeakPolarHBondContact O-CG 3.44Å; E632-K635 WeakPolarHBondContact O-CB 3.36Å; E632-K635 PolarHBondContact O-N 3.41Å; E632-K635 VanDerWaalsContact O-N 3.15Å; W633-K635 PolarHBondContact O-N 2.88Å; K635-N638 PolarHBondContact O-N 3.32Å; K635-Q639 VanDerWaalsContact O-CB 3.24Å; K635-Q639 WeakPolarHBondContact O-CB 3.44Å; K635-Q639 PolarHBondContact O-N 2.74Å
636	V	96.3	Very high	93.6	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.036	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-47.8	175	173.7	0	0	0	0	110.9	E632 W633 N638 Q639 L640 C706 I710	E632-V636 PolarHBondContact O-N 3.08Å; E632-V636 VanDerWaalsContact O-N 3.13Å; W633-V636 WeakPolarHBondContact O-CB 3.49Å; W633-V636 PolarHBondContact O-N 3.33Å; W633-V636 VanDerWaalsContact O-N 3.1Å; V636-N638 PolarHBondContact O-N 3.11Å; V636-Q639 PolarHBondContact O-N 2.78Å; V636-L640 HydrophobicContact CG1-CD1 4.07Å; V636-L640 HydrophobicContact CG1-CG 4.42Å; V636-L640 WeakPolarHBondContact O-CB 3.41Å; V636-L640 WeakPolarHBondContact O-CG 3.43Å; V636-L640 PolarHBondContact O-N 3.23Å; V636-C706 HydrophobicContact CG1-CB 4.05Å; V636-I710 HydrophobicContact CG1-CD1 4.25Å; V636-I710 HydrophobicContact CG1-CG1 3.96Å
637	C	94.9	Very high	93.4	Very high	15 Å²	15	54 Å²	54	10%	0.101	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-45.1	177.4	-66.2	0	0	0	0	112.5	W633 T641	W633-C637 PolarHBondContact O-N 2.99Å; W633-C637 PolarHBondContact O-SG 3.4Å; W633-C637 VanDerWaalsContact O-SG 3.37Å; C637-T641 WeakPolarHBondContact O-CB 3.37Å; C637-T641 PolarHBondContact O-N 2.79Å; C637-T641 PolarHBondContact O-OG1 2.62Å
638	N	94	Very high	93.5	Very high	113 Å²	113	50.8 Å²	50.8	60%	0.604	28%	0.283	S	S	*	.	H	α-helix	trans	-65.6	-39.8	177.9	-68.7	-18.2	0	0	0	111.8	D634 K635 V636 T641 S642	D634-N638 WeakPolarHBondContact O-CB 3.44Å; D634-N638 PolarHBondContact O-N 3.29Å; D634-N638 PolarHBondContact O-ND2 2.76Å; K635-N638 PolarHBondContact O-N 3.32Å; V636-N638 PolarHBondContact O-N 3.11Å; N638-T641 WeakPolarHBondContact O-CB 3.24Å; N638-T641 PolarHBondContact O-N 3.35Å; N638-S642 PolarHBondContact O-N 3Å
639	Q	93.2	Very high	93.5	Very high	55 Å²	55	43.8 Å²	43.8	26%	0.257	25%	0.25	S	S	.	.	H	α-helix	trans	-66.8	-47.8	178	-170.2	172.5	9.4	0	0	111.2	K635 V636 T641 S642 I643 S705 C706	K635-Q639 VanDerWaalsContact O-CB 3.24Å; K635-Q639 WeakPolarHBondContact O-CB 3.44Å; K635-Q639 PolarHBondContact O-N 2.74Å; V636-Q639 PolarHBondContact O-N 2.78Å; Q639-T641 VanDerWaalsContact C-N 3.25Å; Q639-T641 PolarHBondContact O-N 2.96Å; Q639-S642 WeakPolarHBondContact CA-OG 3.49Å; Q639-S642 PolarHBondContact O-N 2.83Å; Q639-S642 VanDerWaalsContact O-N 3.09Å; Q639-S642 PolarHBondContact O-OG 3.43Å; Q639-I643 HydrophobicContact CG-CD1 3.93Å; Q639-I643 WeakPolarHBondContact O-CD1 3.32Å; Q639-I643 VanDerWaalsContact O-CG1 3.26Å; Q639-I643 WeakPolarHBondContact O-CG1 3.46Å; Q639-I643 PolarHBondContact O-N 2.93Å; Q639-S705 VanDerWaalsContact NE2-CB 3.31Å; Q639-S705 PolarHBondContact NE2-OG 3.41Å; Q639-S705 PolarHBondContact OE1-OG 2.58Å; Q639-C706 WeakPolarHBondContact CG-SG 3.48Å
640	L	92.3	Very high	93.5	Very high	6 Å²	6	44 Å²	44	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-56.2	-39.2	171.6	-71.2	175.9	0	0	0	112.3	T596 V636 I643 G644 F645 C706	T596-L640 HydrophobicContact CG2-CD1 3.53Å; V636-L640 HydrophobicContact CG1-CD1 4.07Å; V636-L640 HydrophobicContact CG1-CG 4.42Å; V636-L640 WeakPolarHBondContact O-CB 3.41Å; V636-L640 WeakPolarHBondContact O-CG 3.43Å; V636-L640 PolarHBondContact O-N 3.23Å; L640-I643 PolarHBondContact O-N 3.45Å; L640-G644 PolarHBondContact O-N 2.93Å; L640-F645 HydrophobicContact CB-CB 3.88Å; L640-F645 HydrophobicContact CB-CD1 4.3Å; L640-F645 HydrophobicContact CB-CG 4.13Å; L640-F645 HydrophobicContact CD1-CD1 4.2Å; L640-F645 HydrophobicContact CD1-CE1 4.21Å; L640-F645 HydrophobicContact CD1-CG 4.46Å; L640-F645 HydrophobicContact CD1-CZ 4.49Å; L640-F645 HydrophobicContact CD2-CB 4.25Å; L640-F645 HydrophobicContact CD2-CD2 3.79Å; L640-F645 HydrophobicContact CD2-CE2 4.18Å; L640-F645 HydrophobicContact CD2-CG 3.98Å; L640-F645 HydrophobicContact CG-CG 4.41Å; L640-F645 VanDerWaalsContact O-CB 3.25Å; L640-F645 WeakPolarHBondContact O-CB 3.48Å; L640-F645 PolarHBondContact O-N 3.04Å; L640-C706 HydrophobicContact CD2-CB 3.64Å; L640-C706 HydrophobicContact CG-CB 3.94Å
641	T	91	Very high	93.4	Very high	81 Å²	81	42.8 Å²	42.8	50%	0.497	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-43.8	175.7	-55	0	0	0	0	111.6	F600 C637 N638 Q639 I643 G644	F600-T641 HydrophobicContact CE2-CG2 4.49Å; C637-T641 WeakPolarHBondContact O-CB 3.37Å; C637-T641 PolarHBondContact O-N 2.79Å; C637-T641 PolarHBondContact O-OG1 2.62Å; N638-T641 WeakPolarHBondContact O-CB 3.24Å; N638-T641 PolarHBondContact O-N 3.35Å; Q639-T641 VanDerWaalsContact C-N 3.25Å; Q639-T641 PolarHBondContact O-N 2.96Å; T641-I643 VanDerWaalsContact C-N 3.32Å; T641-I643 PolarHBondContact O-N 3.31Å; T641-G644 PolarHBondContact O-N 2.94Å
642	S	90.1	Very high	93.3	Very high	97 Å²	97	39.5 Å²	39.5	68%	0.678	21%	0.214	S	C	*	.	H	α-helix	trans	-67	-28	177	67.1	0	0	0	0	114.4	N638 Q639 G644	N638-S642 PolarHBondContact O-N 3Å; Q639-S642 WeakPolarHBondContact CA-OG 3.49Å; Q639-S642 PolarHBondContact O-N 2.83Å; Q639-S642 VanDerWaalsContact O-N 3.09Å; Q639-S642 PolarHBondContact O-OG 3.43Å; S642-G644 VanDerWaalsContact C-N 3.27Å; S642-G644 PolarHBondContact O-N 3.34Å
643	I	89.5	Confident	93.2	Very high	10 Å²	10	37 Å²	37	5%	0.051	20%	0.202	C	C	.	.	H	α-helix	trans	-77.1	-15.1	177.4	-68	161.8	0	0	0	112	Q639 L640 T641 R687 P702 F703	Q639-I643 HydrophobicContact CG-CD1 3.93Å; Q639-I643 WeakPolarHBondContact O-CD1 3.32Å; Q639-I643 VanDerWaalsContact O-CG1 3.26Å; Q639-I643 WeakPolarHBondContact O-CG1 3.46Å; Q639-I643 PolarHBondContact O-N 2.93Å; L640-I643 PolarHBondContact O-N 3.45Å; T641-I643 VanDerWaalsContact C-N 3.32Å; T641-I643 PolarHBondContact O-N 3.31Å; I643-R687 PolarHBondContact O-NH2 3.22Å; I643-P702 VanDerWaalsContact CD1-C 3.45Å; I643-P702 HydrophobicContact CD1-CB 3.54Å; I643-P702 WeakPolarHBondContact CD1-O 3.31Å; I643-P702 HydrophobicContact CG1-CB 3.82Å; I643-F703 HydrophobicContact CG2-CD1 4.43Å; I643-F703 HydrophobicContact CG2-CD2 3.65Å; I643-F703 HydrophobicContact CG2-CE1 4.07Å; I643-F703 HydrophobicContact CG2-CE2 3.22Å; I643-F703 HydrophobicContact CG2-CG 4.25Å; I643-F703 HydrophobicContact CG2-CZ 3.46Å; I643-F703 VanDerWaalsContact CG2-CZ 3.46Å
644	G	88.6	Confident	93.1	Very high	41 Å²	41	37.2 Å²	37.2	42%	0.423	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	51.5	-168.6	0	0	0	0	0	111.1	L640 T641 S642 R687	L640-G644 PolarHBondContact O-N 2.93Å; T641-G644 PolarHBondContact O-N 2.94Å; S642-G644 VanDerWaalsContact C-N 3.27Å; S642-G644 PolarHBondContact O-N 3.34Å; G644-R687 PolarHBondContact O-NH1 2.98Å
645	F	91.5	Very high	93.2	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.031	19%	0.189	C	C	.	.			trans	-58.3	143.1	170.7	-174.9	-120.8	0	0	0	111.1	Y597 F600 L640 D649 F703	Y597-F645 HydrophobicContact CD2-CE1 4.05Å; F600-F645 HydrophobicContact CD1-CD1 4.07Å; F600-F645 HydrophobicContact CE1-CD1 4.4Å; F600-F645 WeakPolarHBondContact CE1-O 3.48Å; F600-F645 HydrophobicContact CG-CD1 4.2Å; F600-F645 HydrophobicContact CZ-CB 4.46Å; F600-F645 WeakPolarHBondContact CZ-O 3.4Å; L640-F645 HydrophobicContact CB-CB 3.88Å; L640-F645 HydrophobicContact CB-CD1 4.3Å; L640-F645 HydrophobicContact CB-CG 4.13Å; L640-F645 HydrophobicContact CD1-CD1 4.2Å; L640-F645 HydrophobicContact CD1-CE1 4.21Å; L640-F645 HydrophobicContact CD1-CG 4.46Å; L640-F645 HydrophobicContact CD1-CZ 4.49Å; L640-F645 HydrophobicContact CD2-CB 4.25Å; L640-F645 HydrophobicContact CD2-CD2 3.79Å; L640-F645 HydrophobicContact CD2-CE2 4.18Å; L640-F645 HydrophobicContact CD2-CG 3.98Å; L640-F645 HydrophobicContact CG-CG 4.41Å; L640-F645 VanDerWaalsContact O-CB 3.25Å; L640-F645 WeakPolarHBondContact O-CB 3.48Å; L640-F645 PolarHBondContact O-N 3.04Å; F645-D649 WeakPolarHBondContact CA-OD2 3.48Å; F645-D649 HydrophobicContact CD2-CB 3.37Å; F645-D649 HydrophobicContact CE2-CB 3.5Å; F645-D649 VanDerWaalsContact CE2-CB 3.5Å; F645-D649 HydrophobicContact CG-CB 4.35Å; F645-F703 AromaticContact CD2-CE1 3.97Å; F645-F703 HydrophobicContact CD2-CE1 3.97Å
646	D	90.2	Very high	93.1	Very high	23 Å²	23	28.4 Å²	28.4	12%	0.123	16%	0.163	C	C	.	.			trans	-142.5	-171.3	174.1	73.7	31.6	0	0	0	114.8	Y648 D649 Y650 Y686	D646-Y648 VanDerWaalsContact C-N 3.3Å; D646-Y648 PolarHBondContact O-N 3.39Å; D646-Y648 WeakPolarHBondContact OD1-CA 3.26Å; D646-Y648 WeakPolarHBondContact OD1-CB 3.33Å; D646-Y648 PolarHBondContact OD1-N 2.93Å; D646-D649 PolarHBondContact N-OD2 3.48Å; D646-D649 VanDerWaalsContact N-OD2 3.08Å; D646-D649 WeakPolarHBondContact O-CB 3.29Å; D646-D649 PolarHBondContact O-N 3.35Å; D646-D649 PolarHBondContact OD1-N 3.5Å; D646-D649 VanDerWaalsContact OD1-N 3.13Å; D646-Y650 WeakPolarHBondContact O-CB 3.45Å; D646-Y650 PolarHBondContact O-N 3.11Å; D646-Y686 PolarHBondContact OD2-OH 3.47Å; D646-Y686 VanDerWaalsContact OD2-OH 3.12Å
647	R	91.6	Very high	93	Very high	75 Å²	75	28.4 Å²	28.4	28%	0.283	16%	0.163	S	C	.	.	H	α-helix	trans	-60.4	-33.3	179.7	60.4	176.9	-81.8	163.6	-1.1	113.8	E489 S522 Y597 V651	E489-R647 WeakPolarHBondContact OE1-CD 3.5Å; E489-R647 IonicContact OE1-CZ 2.75Å; E489-R647 IonicContact OE1-NE 3.4Å; E489-R647 IonicContact OE1-NH1 3.62Å; E489-R647 PolarHBondContact OE1-NH1 3.08Å; E489-R647 IonicContact OE2-NH1 3.72Å; S522-R647 PolarHBondContact OG-NH2 3.4Å; Y597-R647 HydrophobicContact CE2-CB 4.36Å; Y597-R647 VanDerWaalsContact OH-CB 3.29Å; Y597-R647 WeakPolarHBondContact OH-CB 3.46Å; R647-V651 WeakPolarHBondContact O-CG2 3.24Å; R647-V651 PolarHBondContact O-N 2.85Å
648	Y	93	Very high	93.1	Very high	32 Å²	32	27.7 Å²	27.7	13%	0.125	16%	0.158	C	C	.	.	H	α-helix	trans	-83	-32.6	-178.6	-57.9	-66.6	0	0	0	111	P514 L518 L519 D646 A652 Y686	P514-Y648 HydrophobicContact CB-CD1 4.2Å; P514-Y648 HydrophobicContact CB-CD2 4.46Å; P514-Y648 HydrophobicContact CB-CE1 4.27Å; P514-Y648 HydrophobicContact CB-CG 4.3Å; P514-Y648 HydrophobicContact CG-CD1 4.14Å; P514-Y648 HydrophobicContact CG-CD2 3.78Å; P514-Y648 HydrophobicContact CG-CE1 3.91Å; P514-Y648 HydrophobicContact CG-CE2 3.51Å; P514-Y648 HydrophobicContact CG-CG 4.09Å; L518-Y648 HydrophobicContact CB-CD1 4.31Å; L519-Y648 HydrophobicContact CD2-CE1 3.95Å; D646-Y648 VanDerWaalsContact C-N 3.3Å; D646-Y648 PolarHBondContact O-N 3.39Å; D646-Y648 WeakPolarHBondContact OD1-CA 3.26Å; D646-Y648 WeakPolarHBondContact OD1-CB 3.33Å; D646-Y648 PolarHBondContact OD1-N 2.93Å; Y648-A652 WeakPolarHBondContact O-CB 3.42Å; Y648-A652 PolarHBondContact O-N 3.49Å; Y648-Y686 HydrophobicContact CD2-CE1 4.03Å; Y648-Y686 HydrophobicContact CD2-CE2 4.43Å; Y648-Y686 AromaticContact CD2-CZ 3.75Å; Y648-Y686 HydrophobicContact CG-CE1 4.25Å
649	D	93.1	Very high	93.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-48.5	164.8	-67	-40.6	0	0	0	111.7	F645 D646 V651 A652 V653 W683 R687 F703	F645-D649 WeakPolarHBondContact CA-OD2 3.48Å; F645-D649 HydrophobicContact CD2-CB 3.37Å; F645-D649 HydrophobicContact CE2-CB 3.5Å; F645-D649 VanDerWaalsContact CE2-CB 3.5Å; F645-D649 HydrophobicContact CG-CB 4.35Å; D646-D649 PolarHBondContact N-OD2 3.48Å; D646-D649 VanDerWaalsContact N-OD2 3.08Å; D646-D649 WeakPolarHBondContact O-CB 3.29Å; D646-D649 PolarHBondContact O-N 3.35Å; D646-D649 PolarHBondContact OD1-N 3.5Å; D646-D649 VanDerWaalsContact OD1-N 3.13Å; D649-V651 PolarHBondContact O-N 2.67Å; D649-A652 PolarHBondContact O-N 3.21Å; D649-V653 WeakPolarHBondContact O-CB 3.3Å; D649-V653 VanDerWaalsContact O-CG2 3.28Å; D649-V653 WeakPolarHBondContact O-CG2 3.44Å; D649-V653 PolarHBondContact O-N 2.96Å; D649-W683 PolarHBondContact OD1-NE1 2.91Å; D649-R687 WeakPolarHBondContact OD1-CD 3.33Å; D649-R687 IonicContact OD1-NH1 3.23Å; D649-R687 IonicContact OD2-CZ 3.65Å; D649-R687 IonicContact OD2-NH1 2.93Å; D649-R687 PolarHBondContact OD2-NH1 2.82Å; D649-F703 HydrophobicContact CB-CE1 3.93Å; D649-F703 HydrophobicContact CB-CZ 4.34Å; D649-F703 WeakPolarHBondContact OD1-CZ 3.17Å
650	Y	94.4	Very high	93.1	Very high	4 Å²	4	20 Å²	20	2%	0.016	12%	0.119	C	C	.	.	H	α-helix	trans	-56.2	-49	175	161.1	-119.3	0	0	0	111.7	L525 D528 L593 D594 Y597 D646 A652 V653 K654	L525-Y650 HydrophobicContact CD1-CE1 4.14Å; L525-Y650 HydrophobicContact CD2-CE1 4.38Å; D528-Y650 PolarHBondContact OD2-OH 3.33Å; L593-Y650 HydrophobicContact CD2-CD2 4.24Å; L593-Y650 HydrophobicContact CD2-CE2 4.42Å; L593-Y650 HydrophobicContact CG-CD2 4.14Å; L593-Y650 HydrophobicContact CG-CE2 4.34Å; D594-Y650 WeakPolarHBondContact OD1-CE2 3.43Å; D594-Y650 PolarHBondContact OD1-OH 3.06Å; Y597-Y650 AromaticContact CD1-CD1 3.57Å; Y597-Y650 HydrophobicContact CD1-CD1 3.57Å; Y597-Y650 HydrophobicContact CD1-CD2 4.22Å; Y597-Y650 AromaticContact CD1-CE1 3.47Å; Y597-Y650 HydrophobicContact CD1-CE1 3.47Å; Y597-Y650 VanDerWaalsContact CD1-CE1 3.47Å; Y597-Y650 HydrophobicContact CD1-CE2 4.14Å; Y597-Y650 AromaticContact CD1-CG 3.95Å; Y597-Y650 HydrophobicContact CD1-CG 3.95Å; Y597-Y650 AromaticContact CD1-CZ 3.76Å; Y597-Y650 AromaticContact CD2-CD1 3.82Å; Y597-Y650 HydrophobicContact CD2-CD1 3.82Å; Y597-Y650 HydrophobicContact CD2-CD2 4.14Å; Y597-Y650 AromaticContact CD2-CG 3.58Å; Y597-Y650 HydrophobicContact CD2-CG 3.58Å; Y597-Y650 AromaticContact CE1-CD1 3.58Å; Y597-Y650 HydrophobicContact CE1-CD1 3.58Å; Y597-Y650 AromaticContact CE1-CE1 3.58Å; Y597-Y650 HydrophobicContact CE1-CE1 3.58Å; Y597-Y650 HydrophobicContact CE1-CG 4.31Å; Y597-Y650 AromaticContact CE2-CD1 3.82Å; Y597-Y650 HydrophobicContact CE2-CD1 3.82Å; Y597-Y650 AromaticContact CE2-CG 3.96Å; Y597-Y650 HydrophobicContact CE2-CG 3.96Å; Y597-Y650 AromaticContact CG-CD1 3.7Å; Y597-Y650 HydrophobicContact CG-CD1 3.7Å; Y597-Y650 AromaticContact CG-CD2 3.76Å; Y597-Y650 HydrophobicContact CG-CD2 3.76Å; Y597-Y650 AromaticContact CG-CE1 3.98Å; Y597-Y650 HydrophobicContact CG-CE1 3.98Å; Y597-Y650 HydrophobicContact CG-CE2 4.05Å; Y597-Y650 AromaticContact CG-CG 3.57Å; Y597-Y650 HydrophobicContact CG-CG 3.57Å; Y597-Y650 AromaticContact CZ-CD1 3.7Å; D646-Y650 WeakPolarHBondContact O-CB 3.45Å; D646-Y650 PolarHBondContact O-N 3.11Å; Y650-A652 PolarHBondContact O-N 2.7Å; Y650-V653 PolarHBondContact O-N 2.77Å; Y650-K654 HydrophobicContact CE2-CD 3.91Å; Y650-K654 WeakPolarHBondContact O-CB 3.47Å; Y650-K654 PolarHBondContact O-N 2.86Å; Y650-K654 PolarHBondContact OH-NZ 3.08Å
651	V	94.8	Very high	93.2	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.024	13%	0.127	C	C	.	.	H	α-helix	trans	-55.7	-53.3	175	171.1	0	0	0	0	110.7	L521 L525 R647 D649 K654 Y655	L521-V651 HydrophobicContact CB-CG1 3.52Å; L525-V651 HydrophobicContact CD1-CB 4.44Å; L525-V651 HydrophobicContact CD1-CG2 3.68Å; R647-V651 WeakPolarHBondContact O-CG2 3.24Å; R647-V651 PolarHBondContact O-N 2.85Å; D649-V651 PolarHBondContact O-N 2.67Å; V651-K654 PolarHBondContact O-N 3.43Å; V651-Y655 HydrophobicContact CG1-CD2 4.2Å; V651-Y655 HydrophobicContact CG1-CE2 4.38Å; V651-Y655 WeakPolarHBondContact O-CD2 3.27Å; V651-Y655 PolarHBondContact O-N 3.49Å; V651-Y655 VanDerWaalsContact O-N 3.1Å
652	A	95.1	Very high	93.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-50.5	-177.8	0	0	0	0	0	111.8	L518 Y648 D649 Y650 K654 Y655 L656 V679 W683	L518-A652 HydrophobicContact CD2-CB 4.34Å; Y648-A652 WeakPolarHBondContact O-CB 3.42Å; Y648-A652 PolarHBondContact O-N 3.49Å; D649-A652 PolarHBondContact O-N 3.21Å; Y650-A652 PolarHBondContact O-N 2.7Å; A652-K654 VanDerWaalsContact C-N 3.34Å; A652-K654 PolarHBondContact O-N 3.4Å; A652-Y655 PolarHBondContact O-N 3.02Å; A652-L656 WeakPolarHBondContact O-CB 3.21Å; A652-L656 WeakPolarHBondContact O-CG 3.11Å; A652-L656 PolarHBondContact O-N 2.94Å; A652-V679 HydrophobicContact CB-CG1 4.43Å; A652-W683 HydrophobicContact CB-CB 3.58Å; A652-W683 HydrophobicContact CB-CD2 3.86Å; A652-W683 HydrophobicContact CB-CG 3.3Å
653	V	94.6	Very high	92.9	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.024	11%	0.107	C	C	.	.	H	α-helix	trans	-60.8	-41.5	179.3	172.7	0	0	0	0	111.2	L593 D649 Y650 Y655 L656 M657 W683 I707	L593-V653 HydrophobicContact CD1-CG1 3.85Å; L593-V653 HydrophobicContact CD2-CG1 4.03Å; D649-V653 WeakPolarHBondContact O-CB 3.3Å; D649-V653 VanDerWaalsContact O-CG2 3.28Å; D649-V653 WeakPolarHBondContact O-CG2 3.44Å; D649-V653 PolarHBondContact O-N 2.96Å; Y650-V653 PolarHBondContact O-N 2.77Å; V653-Y655 PolarHBondContact O-N 2.83Å; V653-L656 CarbonylContact O-C 3.57Å; V653-L656 PolarHBondContact O-N 3.4Å; V653-M657 HydrophobicContact CG1-CG 4.32Å; V653-M657 HydrophobicContact CG1-SD 3.54Å; V653-M657 VanDerWaalsContact CG1-SD 3.54Å; V653-M657 WeakPolarHBondContact O-CB 3.26Å; V653-M657 VanDerWaalsContact O-CG 3.26Å; V653-M657 WeakPolarHBondContact O-CG 3.1Å; V653-M657 PolarHBondContact O-N 3.15Å; V653-W683 HydrophobicContact CG2-CZ2 4.4Å; V653-I707 HydrophobicContact CG1-CD1 4.08Å; V653-I707 HydrophobicContact CG1-CG1 4.02Å; V653-I707 HydrophobicContact CG2-CD1 4.16Å
654	K	95.5	Very high	92.7	Very high	5 Å²	5	21.3 Å²	21.3	2%	0.022	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-44.9	177.6	-163.8	175.2	-174.6	149.7	0	112.2	L525 W564 L590 L593 D594 Y650 V651 A652 M657 L658	L525-K654 HydrophobicContact CD1-CD 4.46Å; L525-K654 HydrophobicContact CD2-CD 3.94Å; W564-K654 HydrophobicContact CH2-CD 3.97Å; W564-K654 HydrophobicContact CH2-CG 3.64Å; W564-K654 HydrophobicContact CZ2-CD 3.92Å; W564-K654 HydrophobicContact CZ2-CG 3.98Å; W564-K654 HydrophobicContact CZ3-CD 4.36Å; W564-K654 HydrophobicContact CZ3-CG 4.19Å; L590-K654 HydrophobicContact CD2-CG 4.02Å; L593-K654 HydrophobicContact CD2-CB 3.67Å; L593-K654 HydrophobicContact CD2-CG 4.04Å; D594-K654 WeakPolarHBondContact OD1-CE 3.47Å; D594-K654 IonicContact OD1-NZ 3.85Å; D594-K654 PolarHBondContact OD1-NZ 3.5Å; D594-K654 IonicContact OD2-NZ 3.34Å; D594-K654 PolarHBondContact OD2-NZ 3.43Å; Y650-K654 HydrophobicContact CE2-CD 3.91Å; Y650-K654 WeakPolarHBondContact O-CB 3.47Å; Y650-K654 PolarHBondContact O-N 2.86Å; Y650-K654 PolarHBondContact OH-NZ 3.08Å; V651-K654 PolarHBondContact O-N 3.43Å; A652-K654 VanDerWaalsContact C-N 3.34Å; A652-K654 PolarHBondContact O-N 3.4Å; K654-M657 PolarHBondContact O-N 2.87Å; K654-L658 PolarHBondContact O-N 3.15Å; K654-L658 VanDerWaalsContact O-N 3.08Å
655	Y	96.6	Very high	92.7	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-71	-34.5	174.5	-83.8	-89.3	0	0	0	112.9	L521 S524 W564 S568 P569 V651 A652 V653 M657 L658 L659	L521-Y655 HydrophobicContact CB-CD2 4.31Å; L521-Y655 HydrophobicContact CB-CE2 3.87Å; L521-Y655 HydrophobicContact CD2-CD1 4Å; L521-Y655 HydrophobicContact CD2-CD2 4.16Å; L521-Y655 HydrophobicContact CD2-CE1 3.53Å; L521-Y655 HydrophobicContact CD2-CE2 3.72Å; L521-Y655 HydrophobicContact CD2-CG 4.3Å; L521-Y655 HydrophobicContact CG-CE2 4.28Å; S524-Y655 WeakPolarHBondContact CB-OH 3.27Å; S524-Y655 PolarHBondContact OG-OH 3.39Å; W564-Y655 HydrophobicContact CZ2-CD2 4.06Å; W564-Y655 HydrophobicContact CZ2-CE1 4.29Å; W564-Y655 AromaticContact CZ2-CE2 3.68Å; W564-Y655 HydrophobicContact CZ2-CE2 3.68Å; W564-Y655 AromaticContact CZ2-CZ 3.8Å; S568-Y655 VanDerWaalsContact CB-OH 3.29Å; S568-Y655 WeakPolarHBondContact CB-OH 3.42Å; P569-Y655 VanDerWaalsContact CD-OH 3.3Å; P569-Y655 WeakPolarHBondContact CD-OH 3.24Å; V651-Y655 HydrophobicContact CG1-CD2 4.2Å; V651-Y655 HydrophobicContact CG1-CE2 4.38Å; V651-Y655 WeakPolarHBondContact O-CD2 3.27Å; V651-Y655 PolarHBondContact O-N 3.49Å; V651-Y655 VanDerWaalsContact O-N 3.1Å; A652-Y655 PolarHBondContact O-N 3.02Å; V653-Y655 PolarHBondContact O-N 2.83Å; Y655-M657 VanDerWaalsContact C-N 3.31Å; Y655-M657 PolarHBondContact O-N 2.86Å; Y655-L658 PolarHBondContact O-N 3.16Å; Y655-L659 HydrophobicContact CD1-CD1 4.25Å; Y655-L659 VanDerWaalsContact O-CB 3.3Å; Y655-L659 WeakPolarHBondContact O-CB 3.49Å; Y655-L659 WeakPolarHBondContact O-CG 3.15Å; Y655-L659 PolarHBondContact O-N 3.4Å
656	L	95	Very high	92.7	Very high	18 Å²	18	26 Å²	26	9%	0.094	15%	0.148	C	C	.	.	H	α-helix	trans	-73.5	-20.2	175.7	-69.2	173.6	0	0	0	113.4	A652 V653 R676 V679 R680 W683	A652-L656 WeakPolarHBondContact O-CB 3.21Å; A652-L656 WeakPolarHBondContact O-CG 3.11Å; A652-L656 PolarHBondContact O-N 2.94Å; V653-L656 CarbonylContact O-C 3.57Å; V653-L656 PolarHBondContact O-N 3.4Å; L656-R676 HydrophobicContact CD2-CG 3.83Å; L656-R676 PolarHBondContact O-NH1 2.91Å; L656-R676 PolarHBondContact O-NH2 3.17Å; L656-V679 HydrophobicContact CD2-CB 4.3Å; L656-V679 HydrophobicContact CD2-CG1 4.06Å; L656-V679 HydrophobicContact CG-CG1 3.9Å; L656-R680 HydrophobicContact CD2-CB 3.98Å; L656-W683 HydrophobicContact CD1-CE3 3.75Å; L656-W683 HydrophobicContact CD1-CZ3 4.12Å
657	M	95.1	Very high	92.9	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.03	17%	0.168	C	C	.	.	H	α-helix	trans	-80.4	-45.6	169	-71.1	167.6	65.3	0	0	110.3	V586 E589 L590 L593 V653 K654 Y655 I710	V586-M657 HydrophobicContact CG2-CB 4.04Å; E589-M657 HydrophobicContact CB-CE 3.25Å; E589-M657 HydrophobicContact CG-CE 4.45Å; L590-M657 HydrophobicContact CD2-CB 3.84Å; L590-M657 HydrophobicContact CD2-CE 4.4Å; L593-M657 HydrophobicContact CB-CE 4.41Å; L593-M657 HydrophobicContact CD2-SD 3.89Å; V653-M657 HydrophobicContact CG1-CG 4.32Å; V653-M657 HydrophobicContact CG1-SD 3.54Å; V653-M657 VanDerWaalsContact CG1-SD 3.54Å; V653-M657 WeakPolarHBondContact O-CB 3.26Å; V653-M657 VanDerWaalsContact O-CG 3.26Å; V653-M657 WeakPolarHBondContact O-CG 3.1Å; V653-M657 PolarHBondContact O-N 3.15Å; K654-M657 PolarHBondContact O-N 2.87Å; Y655-M657 VanDerWaalsContact C-N 3.31Å; Y655-M657 PolarHBondContact O-N 2.86Å; M657-I710 HydrophobicContact CE-CG2 4Å
658	L	96	Very high	93.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-47	178	-175.5	65.5	0	0	0	113.5	W564 A565 F571 L582 L583 V586 L590 K654 Y655 N660	W564-L658 HydrophobicContact CH2-CB 4.41Å; W564-L658 HydrophobicContact CH2-CD2 3.71Å; W564-L658 HydrophobicContact CZ3-CD2 3.8Å; A565-L658 HydrophobicContact CB-CD2 4.31Å; F571-L658 HydrophobicContact CB-CD2 4.36Å; F571-L658 HydrophobicContact CD2-CD1 3.99Å; F571-L658 HydrophobicContact CD2-CD2 3.69Å; F571-L658 HydrophobicContact CD2-CG 3.92Å; F571-L658 HydrophobicContact CE2-CD1 3.8Å; F571-L658 HydrophobicContact CE2-CD2 4.26Å; F571-L658 HydrophobicContact CE2-CG 4.25Å; F571-L658 HydrophobicContact CG-CD2 4.2Å; L582-L658 HydrophobicContact CB-CD1 4.38Å; L583-L658 HydrophobicContact CD2-CD1 4.21Å; V586-L658 HydrophobicContact CG1-CD1 4.18Å; L590-L658 HydrophobicContact CD1-CD1 4.48Å; K654-L658 PolarHBondContact O-N 3.15Å; K654-L658 VanDerWaalsContact O-N 3.08Å; Y655-L658 PolarHBondContact O-N 3.16Å; L658-N660 VanDerWaalsContact C-N 3.31Å; L658-N660 PolarHBondContact O-N 3.03Å
659	L	95.8	Very high	93.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.182	C	C	.	.			trans	-88.1	63.8	-173.2	-60.6	176.8	0	0	0	111.7	F570 Y655 P661 V672 R676	F570-L659 HydrophobicContact CB-CD1 4.15Å; F570-L659 HydrophobicContact CB-CD2 4.34Å; F570-L659 HydrophobicContact CD2-CD1 3.95Å; F570-L659 HydrophobicContact CG-CD1 4.37Å; Y655-L659 HydrophobicContact CD1-CD1 4.25Å; Y655-L659 VanDerWaalsContact O-CB 3.3Å; Y655-L659 WeakPolarHBondContact O-CB 3.49Å; Y655-L659 WeakPolarHBondContact O-CG 3.15Å; Y655-L659 PolarHBondContact O-N 3.4Å; L659-P661 WeakPolarHBondContact O-CD 3.37Å; L659-V672 VanDerWaalsContact C-CG1 3.45Å; L659-V672 HydrophobicContact CB-CG1 4.1Å; L659-R676 HydrophobicContact CB-CB 4.3Å; L659-R676 WeakPolarHBondContact O-CD 3.4Å; L659-R676 PolarHBondContact O-NH1 3Å
660	N	91.9	Very high	93.4	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.043	21%	0.21	C	C	.	.			trans	-97.2	109.7	178.9	177.5	7.8	0	0	0	111.7	L658 G662 Y663	L658-N660 VanDerWaalsContact C-N 3.31Å; L658-N660 PolarHBondContact O-N 3.03Å; N660-G662 VanDerWaalsContact C-N 3.28Å; N660-G662 PolarHBondContact O-N 3.07Å; N660-G662 PolarHBondContact OD1-N 2.75Å; N660-Y663 HydrophobicContact CB-CD2 4.21Å; N660-Y663 HydrophobicContact CB-CE2 3.61Å; N660-Y663 PolarHBondContact ND2-OH 2.86Å; N660-Y663 VanDerWaalsContact O-CD2 3.26Å; N660-Y663 WeakPolarHBondContact O-CD2 3.44Å
661	P	93.4	Very high	93.4	Very high	32 Å²	32	37 Å²	37	21%	0.208	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-8.4	179.3	32.8	-36.8	0	0	0	114	L659 Y663 V672 T673	L659-P661 WeakPolarHBondContact O-CD 3.37Å; P661-Y663 PolarHBondContact O-N 2.86Å; P661-V672 HydrophobicContact CB-CG1 4.25Å; P661-T673 VanDerWaalsContact CB-OG1 3.31Å; P661-T673 WeakPolarHBondContact CB-OG1 3.48Å
662	G	88.8	Confident	93.5	Very high	56 Å²	56	36.8 Å²	36.8	58%	0.577	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-10.6	-176.2	0	0	0	0	0	115	N660 A664	N660-G662 VanDerWaalsContact C-N 3.28Å; N660-G662 PolarHBondContact O-N 3.07Å; N660-G662 PolarHBondContact OD1-N 2.75Å; G662-A664 PolarHBondContact O-N 2.82Å
663	Y	87.5	Confident	93.6	Very high	46 Å²	46	38.8 Å²	38.8	18%	0.18	23%	0.228	C	C	.	.			trans	-70.5	114.3	177	-57.5	-58.9	0	0	0	110.9	L582 S585 N660 P661 K665 L666	L582-Y663 HydrophobicContact CD2-CD2 3.68Å; L582-Y663 HydrophobicContact CD2-CE2 3.82Å; S585-Y663 VanDerWaalsContact CB-CE1 3.43Å; S585-Y663 WeakPolarHBondContact CB-OH 3.29Å; N660-Y663 HydrophobicContact CB-CD2 4.21Å; N660-Y663 HydrophobicContact CB-CE2 3.61Å; N660-Y663 PolarHBondContact ND2-OH 2.86Å; N660-Y663 VanDerWaalsContact O-CD2 3.26Å; N660-Y663 WeakPolarHBondContact O-CD2 3.44Å; P661-Y663 PolarHBondContact O-N 2.86Å; Y663-K665 PolarHBondContact O-N 2.66Å; Y663-L666 VanDerWaalsContact O-CB 3.26Å; Y663-L666 WeakPolarHBondContact O-CB 3.29Å; Y663-L666 PolarHBondContact O-N 2.91Å
664	A	83.5	Confident	93.7	Very high	87 Å²	87	42.3 Å²	42.3	72%	0.719	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.8	-171.8	0	0	0	0	0	114.3	G662 K669	G662-A664 PolarHBondContact O-N 2.82Å; A664-K669 WeakPolarHBondContact O-CE 3.13Å; A664-K669 PolarHBondContact O-NZ 3.42Å
665	K	89.7	Confident	93.7	Very high	138 Å²	138	42.1 Å²	42.1	60%	0.6	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-1.9	-174.5	-67.6	174.7	177.9	173.5	0	115.3	L581 Y663 Q667	L581-K665 HydrophobicContact CD2-CB 3.98Å; Y663-K665 PolarHBondContact O-N 2.66Å; K665-Q667 PolarHBondContact O-N 2.97Å
666	L	92.2	Very high	93.6	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.037	25%	0.246	C	C	.	.			trans	-64.9	126	178.8	-173.6	74	0	0	0	110	D578 L581 L582 Y663 K669 V672	D578-L666 HydrophobicContact CB-CD1 3.73Å; D578-L666 VanDerWaalsContact CG-CD1 3.44Å; L581-L666 HydrophobicContact CD2-CB 4.01Å; L581-L666 HydrophobicContact CD2-CD1 4.36Å; L582-L666 HydrophobicContact CD2-CD1 4.07Å; L582-L666 HydrophobicContact CG-CD1 4.16Å; Y663-L666 VanDerWaalsContact O-CB 3.26Å; Y663-L666 WeakPolarHBondContact O-CB 3.29Å; Y663-L666 PolarHBondContact O-N 2.91Å; L666-K669 HydrophobicContact CB-CG 4.1Å; L666-K669 HydrophobicContact CD2-CG 4.08Å; L666-K669 HydrophobicContact CG-CG 4.23Å; L666-K669 WeakPolarHBondContact O-CE 3.37Å; L666-K669 WeakPolarHBondContact O-CG 3.43Å; L666-V672 HydrophobicContact CD1-CG2 4.29Å; L666-V672 HydrophobicContact CD2-CB 3.87Å; L666-V672 HydrophobicContact CD2-CG1 4.11Å; L666-V672 HydrophobicContact CD2-CG2 3.75Å; L666-V672 HydrophobicContact CG-CG2 4.48Å
667	Q	94.4	Very high	93.7	Very high	117 Å²	117	48 Å²	48	55%	0.547	27%	0.27	S	S	.	.	S	Bend	trans	-74.9	-56.6	-176.3	-58.2	168.3	-3.7	0	0	110	S575 D577 D578 K665 K669	S575-Q667 PolarHBondContact OG-OE1 3.4Å; D577-Q667 PolarHBondContact OD2-NE2 2.94Å; D578-Q667 WeakPolarHBondContact OD1-CB 3.44Å; D578-Q667 WeakPolarHBondContact OD1-CG 3.36Å; D578-Q667 PolarHBondContact OD1-N 3.08Å; D578-Q667 PolarHBondContact OD2-N 3.14Å; K665-Q667 PolarHBondContact O-N 2.97Å; Q667-K669 PolarHBondContact O-N 3.21Å
668	N	94.9	Very high	93.7	Very high	61 Å²	61	54 Å²	54	33%	0.326	29%	0.292	S	S	.	.			trans	-96.7	66.6	-178.4	-167.7	-7	0	0	0	111.9	L574 D578 A670 L671 V672	L574-N668 HydrophobicContact CD2-CB 3.99Å; D578-N668 PolarHBondContact OD2-N 2.88Å; N668-A670 PolarHBondContact O-N 2.81Å; N668-L671 WeakPolarHBondContact ND2-CB 3.49Å; N668-L671 PolarHBondContact O-N 3.49Å; N668-L671 WeakPolarHBondContact OD1-CB 3.4Å; N668-L671 PolarHBondContact OD1-N 2.97Å; N668-V672 PolarHBondContact O-N 3.08Å
669	K	95.5	Very high	93.7	Very high	86 Å²	86	54 Å²	54	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-59.3	-28.6	175.1	-58	-167.6	177.6	173.9	0	112.8	A664 L666 Q667 T673	A664-K669 WeakPolarHBondContact O-CE 3.13Å; A664-K669 PolarHBondContact O-NZ 3.42Å; L666-K669 HydrophobicContact CB-CG 4.1Å; L666-K669 HydrophobicContact CD2-CG 4.08Å; L666-K669 HydrophobicContact CG-CG 4.23Å; L666-K669 WeakPolarHBondContact O-CE 3.37Å; L666-K669 WeakPolarHBondContact O-CG 3.43Å; Q667-K669 PolarHBondContact O-N 3.21Å; K669-T673 VanDerWaalsContact O-CB 3.26Å; K669-T673 WeakPolarHBondContact O-CB 3.25Å; K669-T673 PolarHBondContact O-N 3.25Å; K669-T673 PolarHBondContact O-OG1 3.01Å
670	A	95.9	Very high	93.6	Very high	71 Å²	71	55.3 Å²	55.3	59%	0.587	30%	0.297	S	S	*	.	H	α-helix	trans	-63.8	-54.4	-179.8	0	0	0	0	0	111.9	N668 V672 T673 E674	N668-A670 PolarHBondContact O-N 2.81Å; A670-V672 VanDerWaalsContact C-N 3.34Å; A670-V672 PolarHBondContact O-N 3.49Å; A670-T673 PolarHBondContact O-N 2.83Å; A670-E674 WeakPolarHBondContact O-CB 3.35Å; A670-E674 PolarHBondContact O-N 2.92Å
671	L	95.8	Very high	93.6	Very high	30 Å²	30	57.8 Å²	57.8	16%	0.157	32%	0.318	C	S	.	.	H	α-helix	trans	-63.7	-37.9	-179.1	179.9	59.3	0	0	0	112.6	D573 L574 N668 E674 G675	D573-L671 HydrophobicContact CB-CD2 4.02Å; L574-L671 HydrophobicContact CD2-CB 4.27Å; L574-L671 HydrophobicContact CD2-CD2 3.88Å; L574-L671 HydrophobicContact CD2-CG 4.26Å; L574-L671 HydrophobicContact CG-CD2 4.3Å; N668-L671 WeakPolarHBondContact ND2-CB 3.49Å; N668-L671 PolarHBondContact O-N 3.49Å; N668-L671 WeakPolarHBondContact OD1-CB 3.4Å; N668-L671 PolarHBondContact OD1-N 2.97Å; L671-E674 PolarHBondContact O-N 3.29Å; L671-G675 PolarHBondContact O-N 3.13Å
672	V	96.7	Very high	93.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67.3	-40.7	175.7	178.6	0	0	0	0	111.4	L574 L582 L659 P661 L666 N668 A670 R676	L574-V672 HydrophobicContact CD1-CG2 3.82Å; L574-V672 HydrophobicContact CD2-CG2 3.74Å; L574-V672 HydrophobicContact CG-CG2 4.42Å; L582-V672 HydrophobicContact CD1-CG2 4.18Å; L659-V672 VanDerWaalsContact C-CG1 3.45Å; L659-V672 HydrophobicContact CB-CG1 4.1Å; P661-V672 HydrophobicContact CB-CG1 4.25Å; L666-V672 HydrophobicContact CD1-CG2 4.29Å; L666-V672 HydrophobicContact CD2-CB 3.87Å; L666-V672 HydrophobicContact CD2-CG1 4.11Å; L666-V672 HydrophobicContact CD2-CG2 3.75Å; L666-V672 HydrophobicContact CG-CG2 4.48Å; N668-V672 PolarHBondContact O-N 3.08Å; A670-V672 VanDerWaalsContact C-N 3.34Å; A670-V672 PolarHBondContact O-N 3.49Å; V672-R676 VanDerWaalsContact O-CB 3.24Å; V672-R676 WeakPolarHBondContact O-CB 3.13Å; V672-R676 PolarHBondContact O-N 2.61Å
673	T	96.3	Very high	93.9	Very high	43 Å²	43	54.1 Å²	54.1	26%	0.264	29%	0.285	S	S	.	.	H	α-helix	trans	-65	-44.1	175.4	-57.1	0	0	0	0	111.3	P661 K669 A670 R676 Q677	P661-T673 VanDerWaalsContact CB-OG1 3.31Å; P661-T673 WeakPolarHBondContact CB-OG1 3.48Å; K669-T673 VanDerWaalsContact O-CB 3.26Å; K669-T673 WeakPolarHBondContact O-CB 3.25Å; K669-T673 PolarHBondContact O-N 3.25Å; K669-T673 PolarHBondContact O-OG1 3.01Å; A670-T673 PolarHBondContact O-N 2.83Å; T673-R676 WeakPolarHBondContact O-CB 3.3Å; T673-R676 PolarHBondContact O-N 3.46Å; T673-Q677 HydrophobicContact CG2-CG 4.4Å; T673-Q677 WeakPolarHBondContact O-CB 3.42Å; T673-Q677 VanDerWaalsContact O-CG 3.27Å; T673-Q677 WeakPolarHBondContact O-CG 3.27Å; T673-Q677 PolarHBondContact O-N 3.46Å
674	E	96.4	Very high	94	Very high	78 Å²	78	53.2 Å²	53.2	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-49.6	176.7	176.3	177.3	-159.5	0	0	111.7	A670 L671 R676 Q677 R678	A670-E674 WeakPolarHBondContact O-CB 3.35Å; A670-E674 PolarHBondContact O-N 2.92Å; L671-E674 PolarHBondContact O-N 3.29Å; E674-R676 VanDerWaalsContact C-N 3.34Å; E674-R676 PolarHBondContact O-N 3.08Å; E674-Q677 PolarHBondContact O-N 3.42Å; E674-R678 HydrophobicContact CG-CG 4.37Å; E674-R678 WeakPolarHBondContact O-CB 3.46Å; E674-R678 VanDerWaalsContact O-CG 3.3Å; E674-R678 WeakPolarHBondContact O-CG 3.41Å; E674-R678 PolarHBondContact O-N 2.87Å; E674-R678 IonicContact OE1-CZ 2.76Å; E674-R678 IonicContact OE1-NE 3.37Å; E674-R678 PolarHBondContact OE1-NE 2.75Å; E674-R678 IonicContact OE1-NH2 2.78Å; E674-R678 PolarHBondContact OE1-NH2 3.13Å
675	G	96	Very high	94.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.7	-45.9	176.8	0	0	0	0	0	111.8	L671 Q677 R678 V679	L671-G675 PolarHBondContact O-N 3.13Å; G675-Q677 PolarHBondContact O-N 3.24Å; G675-R678 PolarHBondContact O-N 3.39Å; G675-V679 WeakPolarHBondContact O-CB 3.41Å; G675-V679 WeakPolarHBondContact O-CG2 3.39Å; G675-V679 PolarHBondContact O-N 2.99Å
676	R	95.6	Very high	94.3	Very high	16 Å²	16	47.4 Å²	47.4	6%	0.06	25%	0.247	C	C	.	.	H	α-helix	trans	-56.6	-48.6	174.1	-176.3	-177.3	-162.8	68.4	10.3	112.2	C273 L656 L659 V672 T673 E674 R680	C273-R676 PolarHBondContact O-NH2 3.32Å; C273-R676 VanDerWaalsContact SG-CZ 3.59Å; C273-R676 PolarHBondContact SG-NH2 3.13Å; L656-R676 HydrophobicContact CD2-CG 3.83Å; L656-R676 PolarHBondContact O-NH1 2.91Å; L656-R676 PolarHBondContact O-NH2 3.17Å; L659-R676 HydrophobicContact CB-CB 4.3Å; L659-R676 WeakPolarHBondContact O-CD 3.4Å; L659-R676 PolarHBondContact O-NH1 3Å; V672-R676 VanDerWaalsContact O-CB 3.24Å; V672-R676 WeakPolarHBondContact O-CB 3.13Å; V672-R676 PolarHBondContact O-N 2.61Å; T673-R676 WeakPolarHBondContact O-CB 3.3Å; T673-R676 PolarHBondContact O-N 3.46Å; E674-R676 VanDerWaalsContact C-N 3.34Å; E674-R676 PolarHBondContact O-N 3.08Å; R676-R680 WeakPolarHBondContact O-CB 3.26Å; R676-R680 PolarHBondContact O-N 3.24Å
677	Q	95.5	Very high	94.1	Very high	126 Å²	126	48.3 Å²	48.3	59%	0.589	25%	0.249	S	C	*	.	H	α-helix	trans	-65	-44.2	-179.2	-76	173.8	-9.1	0	0	111.9	T673 E674 G675 R680 A681	T673-Q677 HydrophobicContact CG2-CG 4.4Å; T673-Q677 WeakPolarHBondContact O-CB 3.42Å; T673-Q677 VanDerWaalsContact O-CG 3.27Å; T673-Q677 WeakPolarHBondContact O-CG 3.27Å; T673-Q677 PolarHBondContact O-N 3.46Å; E674-Q677 PolarHBondContact O-N 3.42Å; G675-Q677 PolarHBondContact O-N 3.24Å; Q677-R680 PolarHBondContact O-N 3.49Å; Q677-A681 WeakPolarHBondContact O-CB 3.3Å; Q677-A681 PolarHBondContact O-N 3.21Å
678	R	96.5	Very high	93.7	Very high	131 Å²	131	47.5 Å²	47.5	49%	0.494	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-47.9	176.4	-71.9	170.3	176.3	-106.4	7.8	111.6	L517 F570 E674 G675 A682	L517-R678 HydrophobicContact CD2-CB 3.87Å; L517-R678 WeakPolarHBondContact CD2-O 3.35Å; F570-R678 HydrophobicContact CZ-CB 4.17Å; E674-R678 HydrophobicContact CG-CG 4.37Å; E674-R678 WeakPolarHBondContact O-CB 3.46Å; E674-R678 VanDerWaalsContact O-CG 3.3Å; E674-R678 WeakPolarHBondContact O-CG 3.41Å; E674-R678 PolarHBondContact O-N 2.87Å; E674-R678 IonicContact OE1-CZ 2.76Å; E674-R678 IonicContact OE1-NE 3.37Å; E674-R678 PolarHBondContact OE1-NE 2.75Å; E674-R678 IonicContact OE1-NH2 2.78Å; E674-R678 PolarHBondContact OE1-NH2 3.13Å; G675-R678 PolarHBondContact O-N 3.39Å; R678-A682 PolarHBondContact O-N 3.1Å
679	V	95.9	Very high	93.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-47.6	176.3	173.1	0	0	0	0	110.9	L521 F570 A652 L656 G675 A682 W683	L521-V679 HydrophobicContact CD1-CG2 3.81Å; F570-V679 HydrophobicContact CE2-CG2 4.13Å; A652-V679 HydrophobicContact CB-CG1 4.43Å; L656-V679 HydrophobicContact CD2-CB 4.3Å; L656-V679 HydrophobicContact CD2-CG1 4.06Å; L656-V679 HydrophobicContact CG-CG1 3.9Å; G675-V679 WeakPolarHBondContact O-CB 3.41Å; G675-V679 WeakPolarHBondContact O-CG2 3.39Å; G675-V679 PolarHBondContact O-N 2.99Å; V679-A682 PolarHBondContact O-N 3.32Å; V679-W683 WeakPolarHBondContact O-CB 3.3Å; V679-W683 PolarHBondContact O-N 3.15Å
680	R	92.5	Very high	92.7	Very high	28 Å²	28	44 Å²	44	11%	0.106	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-47.4	179.6	-179.9	166.8	170.7	152.8	-4.9	111.8	D276 L277 W280 L656 R676 Q677 A682 W683 L684	D276-R680 VanDerWaalsContact C-NH2 3.29Å; D276-R680 PolarHBondContact O-NH2 3.25Å; L277-R680 VanDerWaalsContact CD2-CZ 3.46Å; W280-R680 VanDerWaalsContact CZ3-CZ 3.45Å; L656-R680 HydrophobicContact CD2-CB 3.98Å; R676-R680 WeakPolarHBondContact O-CB 3.26Å; R676-R680 PolarHBondContact O-N 3.24Å; Q677-R680 PolarHBondContact O-N 3.49Å; R680-A682 PolarHBondContact O-N 2.89Å; R680-W683 PolarHBondContact O-N 3.37Å; R680-L684 HydrophobicContact CG-CD1 3.78Å; R680-L684 HydrophobicContact CG-CG 4.48Å; R680-L684 VanDerWaalsContact O-CD1 3.29Å; R680-L684 WeakPolarHBondContact O-CD1 3.44Å; R680-L684 WeakPolarHBondContact O-CG 3.39Å; R680-L684 PolarHBondContact O-N 2.88Å
681	A	92.4	Very high	91.5	Very high	60 Å²	60	44.7 Å²	44.7	50%	0.496	24%	0.243	S	C	.	.	H	α-helix	trans	-58.7	-48.9	178.3	0	0	0	0	0	111.8	Q677 W683 L684 D685	Q677-A681 WeakPolarHBondContact O-CB 3.3Å; Q677-A681 PolarHBondContact O-N 3.21Å; A681-W683 VanDerWaalsContact C-N 3.32Å; A681-W683 PolarHBondContact O-N 2.68Å; A681-L684 PolarHBondContact O-N 2.89Å; A681-D685 WeakPolarHBondContact O-CB 3.21Å; A681-D685 PolarHBondContact O-N 3.41Å
682	A	95.1	Very high	90	Very high	10 Å²	10	49.2 Å²	49.2	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-32.2	178.7	0	0	0	0	0	113.4	P515 L517 L518 R678 V679 R680 Y686	P515-A682 HydrophobicContact CB-CB 4.21Å; L517-A682 HydrophobicContact CB-CB 4.13Å; L517-A682 HydrophobicContact CD2-CB 4.06Å; L517-A682 HydrophobicContact CG-CB 4.42Å; L518-A682 HydrophobicContact CD2-CB 4.2Å; L518-A682 HydrophobicContact CG-CB 4.06Å; R678-A682 PolarHBondContact O-N 3.1Å; V679-A682 PolarHBondContact O-N 3.32Å; R680-A682 PolarHBondContact O-N 2.89Å; A682-Y686 WeakPolarHBondContact O-CB 3.19Å; A682-Y686 PolarHBondContact O-N 2.58Å; A682-Y686 VanDerWaalsContact O-N 3.09Å
683	W	93.4	Very high	88	Confident	1 Å²	1	54.1 Å²	54.1	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-70.6	-39.6	175.9	-179.1	45.6	0	0	0	113.3	D649 A652 V653 L656 V679 R680 A681 Y686 R687 F699 F703	D649-W683 PolarHBondContact OD1-NE1 2.91Å; A652-W683 HydrophobicContact CB-CB 3.58Å; A652-W683 HydrophobicContact CB-CD2 3.86Å; A652-W683 HydrophobicContact CB-CG 3.3Å; V653-W683 HydrophobicContact CG2-CZ2 4.4Å; L656-W683 HydrophobicContact CD1-CE3 3.75Å; L656-W683 HydrophobicContact CD1-CZ3 4.12Å; V679-W683 WeakPolarHBondContact O-CB 3.3Å; V679-W683 PolarHBondContact O-N 3.15Å; R680-W683 PolarHBondContact O-N 3.37Å; A681-W683 VanDerWaalsContact C-N 3.32Å; A681-W683 PolarHBondContact O-N 2.68Å; W683-Y686 PolarHBondContact O-N 2.84Å; W683-R687 PolarHBondContact O-N 2.9Å; W683-F699 HydrophobicContact CZ2-CE2 4.38Å; W683-F703 HydrophobicContact CH2-CB 4.15Å; W683-F703 HydrophobicContact CH2-CD1 4.08Å; W683-F703 HydrophobicContact CH2-CD2 4.42Å; W683-F703 AromaticContact CH2-CG 3.99Å; W683-F703 HydrophobicContact CH2-CG 3.99Å; W683-F703 AromaticContact CZ2-CD1 3.67Å; W683-F703 HydrophobicContact CZ2-CD1 3.67Å; W683-F703 HydrophobicContact CZ2-CD2 4.15Å; W683-F703 AromaticContact CZ2-CE1 3.71Å; W683-F703 HydrophobicContact CZ2-CE1 3.71Å; W683-F703 HydrophobicContact CZ2-CE2 4.2Å; W683-F703 AromaticContact CZ2-CG 3.88Å; W683-F703 HydrophobicContact CZ2-CG 3.88Å; W683-F703 AromaticContact CZ2-CZ 3.98Å; W683-F703 HydrophobicContact CZ2-CZ 3.98Å
684	L	89.8	Confident	85.9	Confident	27 Å²	27	57 Å²	57	14%	0.141	31%	0.309	C	S	.	.	H	α-helix	trans	-69.8	-44.8	177.1	-62.3	158.6	0	0	0	110.9	W280 R680 A681 Y686 R687 C688 F699	W280-L684 HydrophobicContact CE3-CD1 4.5Å; W280-L684 HydrophobicContact CH2-CD1 3.14Å; W280-L684 HydrophobicContact CH2-CD2 4.49Å; W280-L684 HydrophobicContact CH2-CG 4.42Å; W280-L684 HydrophobicContact CZ2-CD1 4.14Å; W280-L684 HydrophobicContact CZ3-CD1 3.33Å; W280-L684 HydrophobicContact CZ3-CD2 3.9Å; W280-L684 HydrophobicContact CZ3-CG 4.25Å; R680-L684 HydrophobicContact CG-CD1 3.78Å; R680-L684 HydrophobicContact CG-CG 4.48Å; R680-L684 VanDerWaalsContact O-CD1 3.29Å; R680-L684 WeakPolarHBondContact O-CD1 3.44Å; R680-L684 WeakPolarHBondContact O-CG 3.39Å; R680-L684 PolarHBondContact O-N 2.88Å; A681-L684 PolarHBondContact O-N 2.89Å; L684-Y686 VanDerWaalsContact C-N 3.27Å; L684-Y686 PolarHBondContact O-N 3.26Å; L684-R687 PolarHBondContact O-N 3.45Å; L684-R687 VanDerWaalsContact O-N 3.16Å; L684-C688 VanDerWaalsContact O-CB 3.31Å; L684-C688 WeakPolarHBondContact O-CB 3.49Å; L684-C688 PolarHBondContact O-N 2.87Å; L684-C688 PolarHBondContact O-SG 3.4Å; L684-C688 VanDerWaalsContact O-SG 3.33Å; L684-F699 HydrophobicContact CD2-CE1 3.56Å; L684-F699 HydrophobicContact CD2-CZ 3.93Å
685	D	88.8	Confident	83.7	Confident	99 Å²	99	58.3 Å²	58.3	53%	0.529	32%	0.323	S	S	.	.	H	α-helix	trans	-53.1	-46.8	173.1	-172.1	43.6	0	0	0	110.6	P515 A681 C688 S689	P515-D685 HydrophobicContact CG-CB 4.23Å; P515-D685 WeakPolarHBondContact CG-OD2 3.21Å; A681-D685 WeakPolarHBondContact O-CB 3.21Å; A681-D685 PolarHBondContact O-N 3.41Å; D685-C688 PolarHBondContact O-N 3.29Å; D685-S689 WeakPolarHBondContact O-CB 3.47Å; D685-S689 PolarHBondContact O-N 3.46Å; D685-S689 PolarHBondContact O-OG 3.5Å
686	Y	91	Very high	81.7	Confident	5 Å²	5	60.9 Å²	60.9	2%	0.02	34%	0.335	C	S	.	.	H	α-helix	trans	-60	-48.5	173.7	-178.3	-117.5	0	0	0	114.2	P514 L518 D646 Y648 A682 W683 L684 C688 S689 L690	P514-Y686 HydrophobicContact CB-CD2 3.84Å; P514-Y686 HydrophobicContact CB-CE2 3.95Å; P514-Y686 HydrophobicContact CG-CD2 4.13Å; P514-Y686 HydrophobicContact CG-CE2 3.71Å; L518-Y686 HydrophobicContact CD1-CD1 4.28Å; L518-Y686 HydrophobicContact CD1-CG 3.99Å; D646-Y686 PolarHBondContact OD2-OH 3.47Å; D646-Y686 VanDerWaalsContact OD2-OH 3.12Å; Y648-Y686 HydrophobicContact CD2-CE1 4.03Å; Y648-Y686 HydrophobicContact CD2-CE2 4.43Å; Y648-Y686 AromaticContact CD2-CZ 3.75Å; Y648-Y686 HydrophobicContact CG-CE1 4.25Å; A682-Y686 WeakPolarHBondContact O-CB 3.19Å; A682-Y686 PolarHBondContact O-N 2.58Å; A682-Y686 VanDerWaalsContact O-N 3.09Å; W683-Y686 PolarHBondContact O-N 2.84Å; L684-Y686 VanDerWaalsContact C-N 3.27Å; L684-Y686 PolarHBondContact O-N 3.26Å; Y686-C688 VanDerWaalsContact C-N 3.33Å; Y686-C688 PolarHBondContact O-N 3.41Å; Y686-S689 PolarHBondContact O-N 3.1Å; Y686-S689 PolarHBondContact O-OG 3.49Å; Y686-L690 HydrophobicContact CE1-CD1 4.26Å; Y686-L690 HydrophobicContact CE2-CD2 4.1Å; Y686-L690 PolarHBondContact O-N 2.86Å
687	R	87.8	Confident	79.6	Confident	25 Å²	25	66 Å²	66	9%	0.094	37%	0.369	C	S	.	.	H	α-helix	trans	-70.1	-30.3	-179.6	-71.5	-61.3	-65.2	-154.4	6.9	112.6	I643 G644 D649 W683 L684 S689 F699	I643-R687 PolarHBondContact O-NH2 3.22Å; G644-R687 PolarHBondContact O-NH1 2.98Å; D649-R687 WeakPolarHBondContact OD1-CD 3.33Å; D649-R687 IonicContact OD1-NH1 3.23Å; D649-R687 IonicContact OD2-CZ 3.65Å; D649-R687 IonicContact OD2-NH1 2.93Å; D649-R687 PolarHBondContact OD2-NH1 2.82Å; W683-R687 PolarHBondContact O-N 2.9Å; L684-R687 PolarHBondContact O-N 3.45Å; L684-R687 VanDerWaalsContact O-N 3.16Å; R687-S689 VanDerWaalsContact C-N 3.33Å; R687-F699 HydrophobicContact CB-CE1 3.78Å; R687-F699 HydrophobicContact CB-CE2 3.98Å; R687-F699 HydrophobicContact CB-CZ 3.43Å; R687-F699 VanDerWaalsContact CB-CZ 3.43Å; R687-F699 HydrophobicContact CG-CE1 4.5Å; R687-F699 HydrophobicContact CG-CE2 3.94Å; R687-F699 HydrophobicContact CG-CZ 3.66Å
688	C	85.1	Confident	78.1	Confident	101 Å²	101	64.6 Å²	64.6	68%	0.682	37%	0.365	S	S	*	.	H	α-helix	trans	-72.1	-23.5	171.9	-71.6	0	0	0	0	113.2	L684 D685 Y686	L684-C688 VanDerWaalsContact O-CB 3.31Å; L684-C688 WeakPolarHBondContact O-CB 3.49Å; L684-C688 PolarHBondContact O-N 2.87Å; L684-C688 PolarHBondContact O-SG 3.4Å; L684-C688 VanDerWaalsContact O-SG 3.33Å; D685-C688 PolarHBondContact O-N 3.29Å; Y686-C688 VanDerWaalsContact C-N 3.33Å; Y686-C688 PolarHBondContact O-N 3.41Å
689	S	85.4	Confident	76.6	Confident	47 Å²	47	60.7 Å²	60.7	33%	0.329	35%	0.352	S	S	.	.	H	α-helix	trans	-88.8	-9.1	177.9	75.8	0	0	0	0	114.1	S512 D685 Y686 R687	S512-S689 WeakPolarHBondContact CB-OG 2.94Å; S512-S689 WeakPolarHBondContact OG-CB 3.43Å; S512-S689 PolarHBondContact OG-O 2.88Å; S512-S689 VanDerWaalsContact OG-O 3.09Å; S512-S689 PolarHBondContact OG-OG 3.37Å; D685-S689 WeakPolarHBondContact O-CB 3.47Å; D685-S689 PolarHBondContact O-N 3.46Å; D685-S689 PolarHBondContact O-OG 3.5Å; Y686-S689 PolarHBondContact O-N 3.1Å; Y686-S689 PolarHBondContact O-OG 3.49Å; R687-S689 VanDerWaalsContact C-N 3.33Å
690	L	84.1	Confident	75.5	Confident	27 Å²	27	61 Å²	61	14%	0.141	35%	0.354	C	S	.	.	S	Bend	trans	-72.9	152.1	172.9	-69.6	-177	0	0	0	112.2	Y686 F692	Y686-L690 HydrophobicContact CE1-CD1 4.26Å; Y686-L690 HydrophobicContact CE2-CD2 4.1Å; Y686-L690 PolarHBondContact O-N 2.86Å; L690-F692 PolarHBondContact O-N 3.24Å
691	P	72.4	Confident	75.1	Confident	84 Å²	84	60.9 Å²	60.9	55%	0.545	36%	0.361	S	S	.	.			trans	-60.4	106.3	172.6	-22.7	34.3	0	0	0	111.4	H509 D693	H509-P691 HydrophobicContact CB-CG 4.35Å; P691-D693 PolarHBondContact O-N 3.04Å
692	F	63.9	Low	74.8	Confident	126 Å²	126	59.6 Å²	59.6	55%	0.553	35%	0.348	S	S	*	.			trans	-72.9	119.5	-176.7	-170.8	-97.3	0	0	0	110.8	L690 S694 Q696	L690-F692 PolarHBondContact O-N 3.24Å; F692-S694 PolarHBondContact O-N 2.82Å; F692-Q696 HydrophobicContact CE2-CB 4.02Å; F692-Q696 WeakPolarHBondContact CE2-O 3.41Å; F692-Q696 HydrophobicContact CZ-CB 4.2Å; F692-Q696 WeakPolarHBondContact CZ-O 3.49Å
693	D	54.7	Low	74.5	Confident	102 Å²	102	59.3 Å²	59.3	55%	0.545	35%	0.345	S	S	.	.			trans	-67.3	126	158.5	-174.9	-41.7	0	0	0	107.2	P691 T695 Q696	P691-D693 PolarHBondContact O-N 3.04Å; D693-T695 VanDerWaalsContact CG-OG1 3.24Å; D693-T695 PolarHBondContact O-N 3.37Å; D693-T695 WeakPolarHBondContact OD1-CB 3.34Å; D693-T695 WeakPolarHBondContact OD1-CG2 3.35Å; D693-T695 PolarHBondContact OD1-N 2.92Å; D693-T695 PolarHBondContact OD1-OG1 2.72Å; D693-Q696 PolarHBondContact O-N 2.79Å
694	S	51.9	Low	74.3	Confident	103 Å²	103	59.8 Å²	59.8	72%	0.72	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-10.1	-174.9	52.6	0	0	0	0	114.8	F692	F692-S694 PolarHBondContact O-N 2.82Å
695	T	50.6	Low	74.4	Confident	106 Å²	106	61.5 Å²	61.5	65%	0.65	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-20.9	175.3	57.7	0	0	0	0	115.4	D693 T697	D693-T695 VanDerWaalsContact CG-OG1 3.24Å; D693-T695 PolarHBondContact O-N 3.37Å; D693-T695 WeakPolarHBondContact OD1-CB 3.34Å; D693-T695 WeakPolarHBondContact OD1-CG2 3.35Å; D693-T695 PolarHBondContact OD1-N 2.92Å; D693-T695 PolarHBondContact OD1-OG1 2.72Å; T695-T697 VanDerWaalsContact C-N 3.26Å; T695-T697 PolarHBondContact O-N 2.65Å
696	Q	53	Low	74.6	Confident	54 Å²	54	56.8 Å²	56.8	25%	0.252	34%	0.336	S	S	.	.			trans	-84.4	48.1	-169	-167.3	161.4	78	0	0	114.1	F692 D693 D698	F692-Q696 HydrophobicContact CE2-CB 4.02Å; F692-Q696 WeakPolarHBondContact CE2-O 3.41Å; F692-Q696 HydrophobicContact CZ-CB 4.2Å; F692-Q696 WeakPolarHBondContact CZ-O 3.49Å; D693-Q696 PolarHBondContact O-N 2.79Å; Q696-D698 VanDerWaalsContact C-N 3.28Å; Q696-D698 PolarHBondContact O-N 2.9Å
697	T	52.2	Low	74.7	Confident	125 Å²	125	57.2 Å²	57.2	77%	0.767	34%	0.339	S	S	*	.			trans	-67.2	-25.1	179.7	54.4	0	0	0	0	114.2	T695 F699	T695-T697 VanDerWaalsContact C-N 3.26Å; T695-T697 PolarHBondContact O-N 2.65Å; T697-F699 PolarHBondContact O-N 2.99Å
698	D	63	Low	75	Confident	96 Å²	96	58.7 Å²	58.7	51%	0.513	35%	0.348	S	S	.	.	S	Bend	trans	-89.1	75.3	170.7	-178.4	19	0	0	0	110.6	Q696 G701 P702	Q696-D698 VanDerWaalsContact C-N 3.28Å; Q696-D698 PolarHBondContact O-N 2.9Å; D698-G701 VanDerWaalsContact OD1-CA 3.32Å; D698-G701 WeakPolarHBondContact OD1-CA 3.3Å; D698-G701 PolarHBondContact OD1-N 2.67Å; D698-G701 VanDerWaalsContact OD1-N 3.16Å; D698-P702 WeakPolarHBondContact O-CD 3.48Å
699	F	65.1	Low	75.5	Confident	48 Å²	48	54.4 Å²	54.4	21%	0.211	32%	0.321	C	S	.	.			trans	-111.2	119.9	159.1	177.4	-109.6	0	0	0	107.1	W683 L684 R687 T697 F703	W683-F699 HydrophobicContact CZ2-CE2 4.38Å; L684-F699 HydrophobicContact CD2-CE1 3.56Å; L684-F699 HydrophobicContact CD2-CZ 3.93Å; R687-F699 HydrophobicContact CB-CE1 3.78Å; R687-F699 HydrophobicContact CB-CE2 3.98Å; R687-F699 HydrophobicContact CB-CZ 3.43Å; R687-F699 VanDerWaalsContact CB-CZ 3.43Å; R687-F699 HydrophobicContact CG-CE1 4.5Å; R687-F699 HydrophobicContact CG-CE2 3.94Å; R687-F699 HydrophobicContact CG-CZ 3.66Å; T697-F699 PolarHBondContact O-N 2.99Å; F699-F703 AromaticContact CD2-CD2 3.89Å; F699-F703 HydrophobicContact CD2-CD2 3.89Å; F699-F703 HydrophobicContact CD2-CE2 4.04Å; F699-F703 AromaticContact CE2-CD2 3.62Å; F699-F703 HydrophobicContact CE2-CD2 3.62Å; F699-F703 AromaticContact CE2-CE2 3.63Å; F699-F703 HydrophobicContact CE2-CE2 3.63Å
700	P	72.7	Confident	76	Confident	7 Å²	7	52.3 Å²	52.3	5%	0.045	31%	0.306	C	S	.	.	S	Bend	cis	-112.2	15.5	25.8	40.4	-33	0	0	0	116.7	L277 F703 Q704	L277-P700 HydrophobicContact CB-CG 4Å; L277-P700 HydrophobicContact CD2-CB 4.2Å; L277-P700 HydrophobicContact CD2-CG 3.64Å; L277-P700 HydrophobicContact CG-CG 4.31Å; P700-F703 WeakPolarHBondContact O-CB 3.3Å; P700-F703 PolarHBondContact O-N 2.95Å; P700-Q704 PolarHBondContact O-N 3.33Å
701	G	84.3	Confident	76.6	Confident	26 Å²	26	52 Å²	52	27%	0.268	30%	0.303	S	S	.	.	H	α-helix	trans	-51.3	-47.1	-170.8	0	0	0	0	0	117	D698 F703 Q704 S705	D698-G701 VanDerWaalsContact OD1-CA 3.32Å; D698-G701 WeakPolarHBondContact OD1-CA 3.3Å; D698-G701 PolarHBondContact OD1-N 2.67Å; D698-G701 VanDerWaalsContact OD1-N 3.16Å; G701-F703 PolarHBondContact O-N 3.43Å; G701-Q704 WeakPolarHBondContact O-CB 3.46Å; G701-Q704 PolarHBondContact O-N 2.8Å; G701-S705 PolarHBondContact O-N 3.02Å; G701-S705 VanDerWaalsContact O-N 3.1Å
702	P	86.2	Confident	77.7	Confident	33 Å²	33	50 Å²	50	21%	0.214	29%	0.291	C	S	.	.	H	α-helix	trans	-66.3	-37.2	-178.3	-26.2	37.2	0	0	0	113.4	I643 D698 Q704 S705 C706	I643-P702 VanDerWaalsContact CD1-C 3.45Å; I643-P702 HydrophobicContact CD1-CB 3.54Å; I643-P702 WeakPolarHBondContact CD1-O 3.31Å; I643-P702 HydrophobicContact CG1-CB 3.82Å; D698-P702 WeakPolarHBondContact O-CD 3.48Å; P702-Q704 PolarHBondContact O-N 2.78Å; P702-S705 PolarHBondContact O-N 3.27Å; P702-C706 PolarHBondContact O-N 2.92Å
703	F	89.4	Confident	79.3	Confident	3 Å²	3	44 Å²	44	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-58	-39.7	170.9	-88.7	-83.5	0	0	0	110.8	I643 F645 D649 W683 F699 P700 G701 C706 I707	I643-F703 HydrophobicContact CG2-CD1 4.43Å; I643-F703 HydrophobicContact CG2-CD2 3.65Å; I643-F703 HydrophobicContact CG2-CE1 4.07Å; I643-F703 HydrophobicContact CG2-CE2 3.22Å; I643-F703 HydrophobicContact CG2-CG 4.25Å; I643-F703 HydrophobicContact CG2-CZ 3.46Å; I643-F703 VanDerWaalsContact CG2-CZ 3.46Å; F645-F703 AromaticContact CD2-CE1 3.97Å; F645-F703 HydrophobicContact CD2-CE1 3.97Å; D649-F703 HydrophobicContact CB-CE1 3.93Å; D649-F703 HydrophobicContact CB-CZ 4.34Å; D649-F703 WeakPolarHBondContact OD1-CZ 3.17Å; W683-F703 HydrophobicContact CH2-CB 4.15Å; W683-F703 HydrophobicContact CH2-CD1 4.08Å; W683-F703 HydrophobicContact CH2-CD2 4.42Å; W683-F703 AromaticContact CH2-CG 3.99Å; W683-F703 HydrophobicContact CH2-CG 3.99Å; W683-F703 AromaticContact CZ2-CD1 3.67Å; W683-F703 HydrophobicContact CZ2-CD1 3.67Å; W683-F703 HydrophobicContact CZ2-CD2 4.15Å; W683-F703 AromaticContact CZ2-CE1 3.71Å; W683-F703 HydrophobicContact CZ2-CE1 3.71Å; W683-F703 HydrophobicContact CZ2-CE2 4.2Å; W683-F703 AromaticContact CZ2-CG 3.88Å; W683-F703 HydrophobicContact CZ2-CG 3.88Å; W683-F703 AromaticContact CZ2-CZ 3.98Å; W683-F703 HydrophobicContact CZ2-CZ 3.98Å; F699-F703 AromaticContact CD2-CD2 3.89Å; F699-F703 HydrophobicContact CD2-CD2 3.89Å; F699-F703 HydrophobicContact CD2-CE2 4.04Å; F699-F703 AromaticContact CE2-CD2 3.62Å; F699-F703 HydrophobicContact CE2-CD2 3.62Å; F699-F703 AromaticContact CE2-CE2 3.63Å; F699-F703 HydrophobicContact CE2-CE2 3.63Å; P700-F703 WeakPolarHBondContact O-CB 3.3Å; P700-F703 PolarHBondContact O-N 2.95Å; G701-F703 PolarHBondContact O-N 3.43Å; F703-C706 WeakPolarHBondContact O-CB 3.21Å; F703-C706 PolarHBondContact O-N 2.99Å; F703-I707 WeakPolarHBondContact O-CG1 3.42Å; F703-I707 PolarHBondContact O-N 3.02Å; F703-I707 VanDerWaalsContact O-N 3.13Å
704	Q	88.5	Confident	81.3	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.056	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-40.8	-178.2	177.4	50.4	25.7	0	0	113.2	L274 P700 G701 P702 C706 I707 D708	L274-Q704 HydrophobicContact CD2-CB 4.12Å; L274-Q704 HydrophobicContact CD2-CG 3.26Å; P700-Q704 PolarHBondContact O-N 3.33Å; G701-Q704 WeakPolarHBondContact O-CB 3.46Å; G701-Q704 PolarHBondContact O-N 2.8Å; P702-Q704 PolarHBondContact O-N 2.78Å; Q704-C706 PolarHBondContact O-N 3.34Å; Q704-C706 VanDerWaalsContact O-N 3.17Å; Q704-I707 PolarHBondContact O-N 3.45Å; Q704-D708 PolarHBondContact NE2-OD1 3.06Å; Q704-D708 PolarHBondContact NE2-OD2 3.02Å; Q704-D708 PolarHBondContact O-N 3.45Å
705	S	91.9	Very high	83.3	Confident	62 Å²	62	38 Å²	38	43%	0.434	22%	0.224	S	C	.	.	H	α-helix	trans	-52.2	-37.7	172.7	176.7	0	0	0	0	111.7	Q639 G701 P702 G709	Q639-S705 VanDerWaalsContact NE2-CB 3.31Å; Q639-S705 PolarHBondContact NE2-OG 3.41Å; Q639-S705 PolarHBondContact OE1-OG 2.58Å; G701-S705 PolarHBondContact O-N 3.02Å; G701-S705 VanDerWaalsContact O-N 3.1Å; P702-S705 PolarHBondContact O-N 3.27Å; S705-G709 PolarHBondContact O-N 3Å; S705-G709 VanDerWaalsContact O-N 3.13Å
706	C	94.5	Very high	85.4	Confident	1 Å²	1	36 Å²	36	1%	0.007	20%	0.204	C	C	.	.	H	α-helix	trans	-67.9	-44.7	173.7	-62.1	0	0	0	0	113.2	V636 Q639 L640 P702 F703 Q704 G709 I710	V636-C706 HydrophobicContact CG1-CB 4.05Å; Q639-C706 WeakPolarHBondContact CG-SG 3.48Å; L640-C706 HydrophobicContact CD2-CB 3.64Å; L640-C706 HydrophobicContact CG-CB 3.94Å; P702-C706 PolarHBondContact O-N 2.92Å; F703-C706 WeakPolarHBondContact O-CB 3.21Å; F703-C706 PolarHBondContact O-N 2.99Å; Q704-C706 PolarHBondContact O-N 3.34Å; Q704-C706 VanDerWaalsContact O-N 3.17Å; C706-G709 PolarHBondContact O-N 3.07Å; C706-I710 WeakPolarHBondContact O-CG1 3.29Å; C706-I710 PolarHBondContact O-N 2.88Å
707	I	92.4	Very high	87.5	Confident	14 Å²	14	33.4 Å²	33.4	7%	0.072	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-41.5	-180	-66.9	167	0	0	0	111.5	L274 V653 F703 Q704 G709 I710 R711	L274-I707 HydrophobicContact CD1-CG2 4.43Å; V653-I707 HydrophobicContact CG1-CD1 4.08Å; V653-I707 HydrophobicContact CG1-CG1 4.02Å; V653-I707 HydrophobicContact CG2-CD1 4.16Å; F703-I707 WeakPolarHBondContact O-CG1 3.42Å; F703-I707 PolarHBondContact O-N 3.02Å; F703-I707 VanDerWaalsContact O-N 3.13Å; Q704-I707 PolarHBondContact O-N 3.45Å; I707-G709 VanDerWaalsContact C-N 3.33Å; I707-I710 PolarHBondContact O-N 3.16Å; I707-R711 WeakPolarHBondContact O-CB 3.32Å; I707-R711 PolarHBondContact O-N 3.04Å
708	D	93.2	Very high	89.5	Confident	56 Å²	56	27.7 Å²	27.7	30%	0.299	16%	0.157	S	C	.	.	H	α-helix	trans	-69	-31	174.5	-81.3	-27.5	0	0	0	112.7	Q704 R711 S712	Q704-D708 PolarHBondContact NE2-OD1 3.06Å; Q704-D708 PolarHBondContact NE2-OD2 3.02Å; Q704-D708 PolarHBondContact O-N 3.45Å; D708-R711 PolarHBondContact O-N 3.47Å; D708-R711 IonicContact OD1-NH1 2.83Å; D708-R711 PolarHBondContact OD1-NH1 2.76Å; D708-S712 VanDerWaalsContact O-CB 3.24Å; D708-S712 WeakPolarHBondContact O-CB 3.38Å; D708-S712 PolarHBondContact O-N 3.36Å
709	G	96.1	Very high	91	Very high	11 Å²	11	28.1 Å²	28.1	11%	0.113	16%	0.156	C	C	.	.	H	α-helix	trans	-62.4	-46.1	168.7	0	0	0	0	0	112.6	S705 C706 I707 R711 S712 L713	S705-G709 PolarHBondContact O-N 3Å; S705-G709 VanDerWaalsContact O-N 3.13Å; C706-G709 PolarHBondContact O-N 3.07Å; I707-G709 VanDerWaalsContact C-N 3.33Å; G709-R711 VanDerWaalsContact C-N 3.33Å; G709-R711 PolarHBondContact O-N 3.1Å; G709-S712 WeakPolarHBondContact O-CB 3.48Å; G709-S712 PolarHBondContact O-N 3.26Å; G709-L713 WeakPolarHBondContact O-CD1 3.24Å; G709-L713 VanDerWaalsContact O-CG 3.32Å; G709-L713 WeakPolarHBondContact O-CG 3.46Å; G709-L713 PolarHBondContact O-N 3.32Å
710	I	97	Very high	92.4	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.015	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-43.9	174.8	-69.4	171.9	0	0	0	110.7	E589 I592 L593 V636 M657 C706 I707 L713 G714	E589-I710 HydrophobicContact CB-CG2 4.31Å; E589-I710 WeakPolarHBondContact O-CG2 3.43Å; I592-I710 HydrophobicContact CB-CG2 4.12Å; I592-I710 HydrophobicContact CG2-CB 4.42Å; I592-I710 HydrophobicContact CG2-CG1 4.24Å; I592-I710 HydrophobicContact CG2-CG2 3.96Å; L593-I710 HydrophobicContact CD1-CD1 3.86Å; V636-I710 HydrophobicContact CG1-CD1 4.25Å; V636-I710 HydrophobicContact CG1-CG1 3.96Å; M657-I710 HydrophobicContact CE-CG2 4Å; C706-I710 WeakPolarHBondContact O-CG1 3.29Å; C706-I710 PolarHBondContact O-N 2.88Å; I707-I710 PolarHBondContact O-N 3.16Å; I710-L713 PolarHBondContact O-N 2.84Å; I710-G714 PolarHBondContact O-N 3.48Å
711	R	95	Very high	93.5	Very high	20 Å²	20	29.2 Å²	29.2	8%	0.075	16%	0.158	C	C	.	.	H	α-helix	trans	-63	-45.1	175.8	177.3	166.4	-60.5	114.9	15.6	113.4	E589 I707 D708 G709 L713 G714 M715	E589-R711 WeakPolarHBondContact OE1-CG 3.46Å; E589-R711 IonicContact OE1-CZ 2.8Å; E589-R711 IonicContact OE1-NE 3.38Å; E589-R711 PolarHBondContact OE1-NE 2.99Å; E589-R711 IonicContact OE1-NH2 3.48Å; E589-R711 IonicContact OE2-CZ 3.81Å; E589-R711 IonicContact OE2-NE 2.82Å; E589-R711 PolarHBondContact OE2-NE 3.37Å; E589-R711 IonicContact OE2-NH2 3.62Å; E589-R711 PolarHBondContact OE2-NH2 3.3Å; I707-R711 WeakPolarHBondContact O-CB 3.32Å; I707-R711 PolarHBondContact O-N 3.04Å; D708-R711 PolarHBondContact O-N 3.47Å; D708-R711 IonicContact OD1-NH1 2.83Å; D708-R711 PolarHBondContact OD1-NH1 2.76Å; G709-R711 VanDerWaalsContact C-N 3.33Å; G709-R711 PolarHBondContact O-N 3.1Å; R711-L713 VanDerWaalsContact C-N 3.3Å; R711-L713 PolarHBondContact O-N 3.16Å; R711-G714 PolarHBondContact O-N 3.21Å; R711-M715 HydrophobicContact CG-CG 4.43Å; R711-M715 WeakPolarHBondContact O-CB 3.34Å; R711-M715 WeakPolarHBondContact O-CG 3.47Å; R711-M715 PolarHBondContact O-N 3.36Å
712	S	95.7	Very high	94	Very high	42 Å²	42	29 Å²	29	29%	0.294	15%	0.149	S	C	.	.	H	α-helix	trans	-55.4	-45	175	165.5	0	0	0	0	111.7	E632 D708 G709 R716	E632-S712 WeakPolarHBondContact OE1-CB 3.49Å; E632-S712 PolarHBondContact OE1-OG 2.89Å; D708-S712 VanDerWaalsContact O-CB 3.24Å; D708-S712 WeakPolarHBondContact O-CB 3.38Å; D708-S712 PolarHBondContact O-N 3.36Å; G709-S712 WeakPolarHBondContact O-CB 3.48Å; G709-S712 PolarHBondContact O-N 3.26Å; S712-R716 PolarHBondContact O-N 2.97Å; S712-R716 PolarHBondContact O-NE 2.74Å; S712-R716 PolarHBondContact O-NH2 2.97Å; S712-R716 PolarHBondContact OG-NH2 3.17Å
713	L	97.9	Very high	94.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-70.4	-44.2	177.6	-68	163	0	0	0	111.5	I592 L623 L626 G629 E632 W633 G709 I710 R711 R716 G717	I592-L713 HydrophobicContact CD1-CB 3.75Å; L623-L713 HydrophobicContact CD2-CD1 4.29Å; L623-L713 HydrophobicContact CD2-CD2 4.41Å; L626-L713 HydrophobicContact CD2-CD2 4.38Å; G629-L713 WeakPolarHBondContact O-CD2 3.5Å; E632-L713 HydrophobicContact CB-CD2 4.3Å; E632-L713 HydrophobicContact CG-CD2 4.43Å; W633-L713 HydrophobicContact CB-CD1 3.81Å; W633-L713 HydrophobicContact CG-CD1 4.31Å; G709-L713 WeakPolarHBondContact O-CD1 3.24Å; G709-L713 VanDerWaalsContact O-CG 3.32Å; G709-L713 WeakPolarHBondContact O-CG 3.46Å; G709-L713 PolarHBondContact O-N 3.32Å; I710-L713 PolarHBondContact O-N 2.84Å; R711-L713 VanDerWaalsContact C-N 3.3Å; R711-L713 PolarHBondContact O-N 3.16Å; L713-R716 PolarHBondContact O-N 3.49Å; L713-G717 PolarHBondContact O-N 2.83Å
714	G	96.8	Very high	94.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-61.3	-49	179.9	0	0	0	0	0	113	I710 R711 R716 G717 E718	I710-G714 PolarHBondContact O-N 3.48Å; R711-G714 PolarHBondContact O-N 3.21Å; G714-R716 PolarHBondContact O-N 3.04Å; G714-G717 PolarHBondContact O-N 3.28Å; G714-E718 WeakPolarHBondContact O-CB 3.18Å; G714-E718 PolarHBondContact O-N 3.46Å
715	M	93.7	Very high	94.6	Very high	77 Å²	77	35.2 Å²	35.2	38%	0.379	17%	0.171	S	C	.	.	H	α-helix	trans	-60.1	-41.3	178.1	-77.2	-68.6	-68.3	0	0	112.8	R711 Q719	R711-M715 HydrophobicContact CG-CG 4.43Å; R711-M715 WeakPolarHBondContact O-CB 3.34Å; R711-M715 WeakPolarHBondContact O-CG 3.47Å; R711-M715 PolarHBondContact O-N 3.36Å; M715-Q719 VanDerWaalsContact O-CB 3.28Å; M715-Q719 WeakPolarHBondContact O-CB 3.28Å; M715-Q719 PolarHBondContact O-N 3.2Å
716	R	95.2	Very high	94.4	Very high	64 Å²	64	35.9 Å²	35.9	24%	0.242	17%	0.17	C	C	.	.	H	α-helix	trans	-74.4	-37	177.1	-76.4	178	-66.7	152.3	-1.6	112.7	L626 E632 S712 L713 G714 Q719 Y720	L626-R716 HydrophobicContact CD1-CB 4.19Å; L626-R716 HydrophobicContact CD2-CB 3.57Å; E632-R716 IonicContact OE1-NH2 3.48Å; E632-R716 PolarHBondContact OE1-NH2 3.37Å; E632-R716 IonicContact OE2-CZ 2.97Å; E632-R716 IonicContact OE2-NH1 3.63Å; E632-R716 PolarHBondContact OE2-NH1 2.87Å; E632-R716 IonicContact OE2-NH2 2.82Å; E632-R716 PolarHBondContact OE2-NH2 3.4Å; S712-R716 PolarHBondContact O-N 2.97Å; S712-R716 PolarHBondContact O-NE 2.74Å; S712-R716 PolarHBondContact O-NH2 2.97Å; S712-R716 PolarHBondContact OG-NH2 3.17Å; L713-R716 PolarHBondContact O-N 3.49Å; G714-R716 PolarHBondContact O-N 3.04Å; R716-Q719 PolarHBondContact O-N 3.28Å; R716-Y720 VanDerWaalsContact O-CB 3.3Å; R716-Y720 WeakPolarHBondContact O-CB 3.35Å; R716-Y720 PolarHBondContact O-N 2.99Å
717	G	96.4	Very high	94	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-49.1	173.6	0	0	0	0	0	112	L713 G714 Q719 Y720 L721	L713-G717 PolarHBondContact O-N 2.83Å; G714-G717 PolarHBondContact O-N 3.28Å; G717-Q719 PolarHBondContact O-N 2.89Å; G717-Y720 PolarHBondContact O-N 2.9Å; G717-L721 WeakPolarHBondContact O-CG 3.29Å; G717-L721 PolarHBondContact O-N 2.91Å
718	E	94.9	Very high	93.6	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.023	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-45	174.1	-174.8	167	-133.8	0	0	111.4	W587 A588 G714 Y720 L721 Y722 L739 Y742 R745	W587-E718 HydrophobicContact CZ2-CB 4.41Å; W587-E718 HydrophobicContact CZ2-CG 4.02Å; W587-E718 PolarHBondContact NE1-OE1 3.42Å; A588-E718 HydrophobicContact CB-CB 4.1Å; G714-E718 WeakPolarHBondContact O-CB 3.18Å; G714-E718 PolarHBondContact O-N 3.46Å; E718-Y720 PolarHBondContact O-N 3.33Å; E718-L721 PolarHBondContact O-N 2.91Å; E718-Y722 VanDerWaalsContact O-CB 3.26Å; E718-Y722 WeakPolarHBondContact O-CB 3.33Å; E718-Y722 PolarHBondContact O-N 3.22Å; E718-L739 HydrophobicContact CG-CD2 3.98Å; E718-L739 WeakPolarHBondContact O-CD2 3.18Å; E718-Y742 HydrophobicContact CB-CD2 4.47Å; E718-Y742 HydrophobicContact CG-CD1 4.29Å; E718-Y742 HydrophobicContact CG-CD2 3.55Å; E718-Y742 HydrophobicContact CG-CE2 4.13Å; E718-Y742 HydrophobicContact CG-CG 3.62Å; E718-Y742 WeakPolarHBondContact OE1-CB 3.25Å; E718-Y742 WeakPolarHBondContact OE2-CD2 3.36Å; E718-R745 IonicContact OE1-NH2 3.4Å; E718-R745 PolarHBondContact OE1-NH2 2.76Å; E718-R745 IonicContact OE2-CZ 2.7Å; E718-R745 IonicContact OE2-NH1 2.72Å; E718-R745 PolarHBondContact OE2-NH1 3.13Å; E718-R745 IonicContact OE2-NH2 2.68Å; E718-R745 PolarHBondContact OE2-NH2 3.39Å
719	Q	93.8	Very high	93.2	Very high	105 Å²	105	40.2 Å²	40.2	49%	0.491	21%	0.207	S	C	.	.	H	α-helix	trans	-60.7	-42.4	175.6	-171.4	177.3	33.2	0	0	113	M715 R716 G717 Y722 Y723 Y742	M715-Q719 VanDerWaalsContact O-CB 3.28Å; M715-Q719 WeakPolarHBondContact O-CB 3.28Å; M715-Q719 PolarHBondContact O-N 3.2Å; R716-Q719 PolarHBondContact O-N 3.28Å; G717-Q719 PolarHBondContact O-N 2.89Å; Q719-Y722 PolarHBondContact O-N 3.13Å; Q719-Y723 PolarHBondContact O-N 3.34Å; Q719-Y723 VanDerWaalsContact O-N 3.08Å; Q719-Y742 HydrophobicContact CB-CE1 4.43Å; Q719-Y742 WeakPolarHBondContact CB-OH 3.41Å; Q719-Y742 WeakPolarHBondContact CG-OH 3.5Å
720	Y	94.8	Very high	92.8	Very high	77 Å²	77	40.5 Å²	40.5	30%	0.302	21%	0.206	S	C	.	.	H	α-helix	trans	-67.2	-47.7	179.2	177.2	-108.7	0	0	0	111.5	F547 A625 R716 G717 E718 Y722 Y723 K724	F547-Y720 HydrophobicContact CE2-CE1 4.39Å; A625-Y720 HydrophobicContact CB-CD1 4.15Å; A625-Y720 HydrophobicContact CB-CE1 3.69Å; A625-Y720 VanDerWaalsContact O-CE1 3.32Å; A625-Y720 WeakPolarHBondContact O-CE1 3.37Å; R716-Y720 VanDerWaalsContact O-CB 3.3Å; R716-Y720 WeakPolarHBondContact O-CB 3.35Å; R716-Y720 PolarHBondContact O-N 2.99Å; G717-Y720 PolarHBondContact O-N 2.9Å; E718-Y720 PolarHBondContact O-N 3.33Å; Y720-Y722 VanDerWaalsContact C-N 3.32Å; Y720-Y722 PolarHBondContact O-N 3.42Å; Y720-Y723 WeakPolarHBondContact O-CB 3.48Å; Y720-Y723 PolarHBondContact O-N 2.89Å; Y720-K724 HydrophobicContact CE1-CG 4.37Å; Y720-K724 VanDerWaalsContact CE2-CE 3.46Å; Y720-K724 WeakPolarHBondContact O-CG 3.45Å; Y720-K724 PolarHBondContact O-N 3.49Å; Y720-K724 WeakPolarHBondContact OH-CE 3.35Å; Y720-K724 PolarHBondContact OH-NZ 3.4Å; Y720-K724 VanDerWaalsContact OH-NZ 3.16Å
721	L	95.9	Very high	92.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-37.4	175.7	-68	179.6	0	0	0	111.8	F547 I554 W587 L624 A625 G717 E718 Y723 K724 M725 L735 L739	F547-L721 HydrophobicContact CE2-CD2 4.02Å; F547-L721 HydrophobicContact CZ-CD2 3.95Å; I554-L721 HydrophobicContact CD1-CD1 3.94Å; W587-L721 HydrophobicContact CH2-CD1 4.36Å; L624-L721 HydrophobicContact CB-CD1 3.8Å; L624-L721 HydrophobicContact CB-CG 4.42Å; L624-L721 HydrophobicContact CD2-CD1 4.16Å; L624-L721 WeakPolarHBondContact O-CG 3.33Å; A625-L721 HydrophobicContact CB-CD2 4.19Å; G717-L721 WeakPolarHBondContact O-CG 3.29Å; G717-L721 PolarHBondContact O-N 2.91Å; E718-L721 PolarHBondContact O-N 2.91Å; L721-Y723 VanDerWaalsContact C-N 3.34Å; L721-Y723 PolarHBondContact O-N 3Å; L721-K724 WeakPolarHBondContact O-CB 3.41Å; L721-K724 PolarHBondContact O-N 2.78Å; L721-K724 VanDerWaalsContact O-N 3.16Å; L721-M725 WeakPolarHBondContact O-CB 3.42Å; L721-M725 PolarHBondContact O-N 3.42Å; L721-L735 HydrophobicContact CD1-CD1 4.27Å; L721-L739 HydrophobicContact CB-CD1 3.84Å; L721-L739 HydrophobicContact CB-CD2 3.87Å
722	Y	94.6	Very high	91.7	Very high	23 Å²	23	52.2 Å²	52.2	9%	0.09	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-41	173.6	175.4	-113.3	0	0	0	112.3	E718 Q719 Y720 M725 L726 L739 Y742 G743	E718-Y722 VanDerWaalsContact O-CB 3.26Å; E718-Y722 WeakPolarHBondContact O-CB 3.33Å; E718-Y722 PolarHBondContact O-N 3.22Å; Q719-Y722 PolarHBondContact O-N 3.13Å; Y720-Y722 VanDerWaalsContact C-N 3.32Å; Y720-Y722 PolarHBondContact O-N 3.42Å; Y722-M725 HydrophobicContact CD2-CE 3.55Å; Y722-M725 HydrophobicContact CE2-CE 3.71Å; Y722-M725 PolarHBondContact O-N 2.82Å; Y722-L726 HydrophobicContact CD1-CD1 4.16Å; Y722-L726 HydrophobicContact CE1-CD1 3.64Å; Y722-L726 HydrophobicContact CE2-CD1 4.08Å; Y722-L726 HydrophobicContact CE2-CD2 4.49Å; Y722-L726 HydrophobicContact CE2-CG 4.23Å; Y722-L726 WeakPolarHBondContact O-CG 3.36Å; Y722-L726 PolarHBondContact O-N 3.01Å; Y722-L726 VanDerWaalsContact O-N 3.08Å; Y722-L739 WeakPolarHBondContact CD2-O 3.5Å; Y722-Y742 AromaticContact CD1-CD1 3.81Å; Y722-Y742 HydrophobicContact CD1-CD1 3.81Å; Y722-Y742 AromaticContact CD1-CE1 3.7Å; Y722-Y742 HydrophobicContact CD1-CE1 3.7Å; Y722-Y742 HydrophobicContact CD2-CD1 4.04Å; Y722-Y742 HydrophobicContact CE1-CD1 4.45Å; Y722-Y742 HydrophobicContact CE1-CE1 4.4Å; Y722-Y742 AromaticContact CG-CD1 3.57Å; Y722-Y742 HydrophobicContact CG-CD1 3.57Å; Y722-Y742 AromaticContact CG-CE1 3.89Å; Y722-Y742 HydrophobicContact CG-CE1 3.89Å; Y722-G743 VanDerWaalsContact CZ-CA 3.42Å
723	Y	91.4	Very high	91.5	Very high	101 Å²	101	51.4 Å²	51.4	40%	0.396	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-38.6	173.6	176.5	-103.6	0	0	0	112.5	Q719 Y720 L721 S727	Q719-Y723 PolarHBondContact O-N 3.34Å; Q719-Y723 VanDerWaalsContact O-N 3.08Å; Y720-Y723 WeakPolarHBondContact O-CB 3.48Å; Y720-Y723 PolarHBondContact O-N 2.89Å; L721-Y723 VanDerWaalsContact C-N 3.34Å; L721-Y723 PolarHBondContact O-N 3Å; Y723-S727 WeakPolarHBondContact O-CB 3.42Å; Y723-S727 PolarHBondContact O-N 2.79Å; Y723-S727 VanDerWaalsContact O-N 3.09Å; Y723-S727 PolarHBondContact O-OG 3.06Å
724	K	91.4	Very high	91.3	Very high	49 Å²	49	52.5 Å²	52.5	21%	0.213	27%	0.272	C	S	.	.	H	α-helix	trans	-67.2	-39	174.8	-65.1	-72.9	-177.1	172.2	0	112.5	F547 Y720 L721 S727 G728 H729 V730	F547-K724 HydrophobicContact CE1-CB 4.05Å; F547-K724 HydrophobicContact CE1-CD 4.49Å; F547-K724 HydrophobicContact CE1-CG 4.33Å; F547-K724 HydrophobicContact CE2-CB 4.49Å; F547-K724 HydrophobicContact CE2-CD 4.32Å; F547-K724 HydrophobicContact CE2-CG 4.02Å; F547-K724 HydrophobicContact CZ-CB 3.56Å; F547-K724 HydrophobicContact CZ-CD 4.03Å; F547-K724 HydrophobicContact CZ-CG 3.57Å; Y720-K724 HydrophobicContact CE1-CG 4.37Å; Y720-K724 VanDerWaalsContact CE2-CE 3.46Å; Y720-K724 WeakPolarHBondContact O-CG 3.45Å; Y720-K724 PolarHBondContact O-N 3.49Å; Y720-K724 WeakPolarHBondContact OH-CE 3.35Å; Y720-K724 PolarHBondContact OH-NZ 3.4Å; Y720-K724 VanDerWaalsContact OH-NZ 3.16Å; L721-K724 WeakPolarHBondContact O-CB 3.41Å; L721-K724 PolarHBondContact O-N 2.78Å; L721-K724 VanDerWaalsContact O-N 3.16Å; K724-S727 WeakPolarHBondContact O-CB 3.1Å; K724-S727 PolarHBondContact O-N 3.01Å; K724-G728 PolarHBondContact O-N 3.4Å; K724-G728 VanDerWaalsContact O-N 3.13Å; K724-H729 HydrophobicContact CB-CB 4.34Å; K724-H729 PolarHBondContact O-N 2.86Å; K724-V730 HydrophobicContact CB-CG2 3.92Å
725	M	93.1	Very high	91.3	Very high	28 Å²	28	52.6 Å²	52.6	14%	0.138	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-48	175.1	-177.2	-169.6	71.3	0	0	111	L721 Y722 S727 G728 V730 T736 L739 V740	L721-M725 WeakPolarHBondContact O-CB 3.42Å; L721-M725 PolarHBondContact O-N 3.42Å; Y722-M725 HydrophobicContact CD2-CE 3.55Å; Y722-M725 HydrophobicContact CE2-CE 3.71Å; Y722-M725 PolarHBondContact O-N 2.82Å; M725-S727 PolarHBondContact O-N 3.12Å; M725-G728 PolarHBondContact O-N 2.84Å; M725-V730 HydrophobicContact CB-CB 3.96Å; M725-V730 HydrophobicContact CB-CG2 3.95Å; M725-V730 HydrophobicContact CG-CB 4.32Å; M725-T736 HydrophobicContact SD-CG2 4.02Å; M725-L739 HydrophobicContact CB-CD1 4.22Å; M725-L739 HydrophobicContact CE-CB 4Å; M725-L739 HydrophobicContact SD-CB 3.56Å; M725-L739 VanDerWaalsContact SD-CB 3.56Å; M725-L739 HydrophobicContact SD-CD1 4.3Å; M725-V740 HydrophobicContact CE-CG2 3.93Å; M725-V740 HydrophobicContact SD-CG2 4.11Å
726	L	87.6	Confident	91.3	Very high	76 Å²	76	50.3 Å²	50.3	40%	0.398	26%	0.263	S	S	.	.	H	α-helix	trans	-63.8	-27.6	175.9	-69.2	173.7	0	0	0	113.5	Y722 G728	Y722-L726 HydrophobicContact CD1-CD1 4.16Å; Y722-L726 HydrophobicContact CE1-CD1 3.64Å; Y722-L726 HydrophobicContact CE2-CD1 4.08Å; Y722-L726 HydrophobicContact CE2-CD2 4.49Å; Y722-L726 HydrophobicContact CE2-CG 4.23Å; Y722-L726 WeakPolarHBondContact O-CG 3.36Å; Y722-L726 PolarHBondContact O-N 3.01Å; Y722-L726 VanDerWaalsContact O-N 3.08Å; L726-G728 VanDerWaalsContact C-N 3.28Å
727	S	86.8	Confident	91.2	Very high	33 Å²	33	52.3 Å²	52.3	23%	0.231	28%	0.275	C	S	.	.	H	α-helix	trans	-75.5	-16	173.6	-58.8	0	0	0	0	113.2	Y723 K724 M725 H729	Y723-S727 WeakPolarHBondContact O-CB 3.42Å; Y723-S727 PolarHBondContact O-N 2.79Å; Y723-S727 VanDerWaalsContact O-N 3.09Å; Y723-S727 PolarHBondContact O-OG 3.06Å; K724-S727 WeakPolarHBondContact O-CB 3.1Å; K724-S727 PolarHBondContact O-N 3.01Å; M725-S727 PolarHBondContact O-N 3.12Å; S727-H729 VanDerWaalsContact CB-ND1 3.26Å; S727-H729 WeakPolarHBondContact CB-ND1 3.29Å
728	G	84.8	Confident	91.1	Very high	57 Å²	57	52.7 Å²	52.7	59%	0.588	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	14.2	-178.8	0	0	0	0	0	114.7	K724 M725 L726	K724-G728 PolarHBondContact O-N 3.4Å; K724-G728 VanDerWaalsContact O-N 3.13Å; M725-G728 PolarHBondContact O-N 2.84Å; L726-G728 VanDerWaalsContact C-N 3.28Å
729	H	84.6	Confident	91.1	Very high	72 Å²	72	52.4 Å²	52.4	33%	0.333	28%	0.276	S	S	.	.			trans	-91.8	-15.6	-177.7	-63.1	99.6	0	0	0	114.5	K95 F547 K724 S727	K95-H729 PolarHBondContact O-NE2 3.19Å; F547-H729 HydrophobicContact CD1-CB 4.13Å; F547-H729 HydrophobicContact CE1-CB 3.77Å; F547-H729 WeakPolarHBondContact CE1-O 3.05Å; K724-H729 HydrophobicContact CB-CB 4.34Å; K724-H729 PolarHBondContact O-N 2.86Å; S727-H729 VanDerWaalsContact CB-ND1 3.26Å; S727-H729 WeakPolarHBondContact CB-ND1 3.29Å
730	V	87.9	Confident	91	Very high	17 Å²	17	51 Å²	51	10%	0.103	27%	0.274	C	S	.	.	S	Bend	trans	-94.6	131.6	176.6	-177.6	0	0	0	0	109	F547 K724 M725 L735 L739	F547-V730 HydrophobicContact CE1-CG2 4.13Å; F547-V730 HydrophobicContact CZ-CG2 4.19Å; K724-V730 HydrophobicContact CB-CG2 3.92Å; M725-V730 HydrophobicContact CB-CB 3.96Å; M725-V730 HydrophobicContact CB-CG2 3.95Å; M725-V730 HydrophobicContact CG-CB 4.32Å; V730-L735 HydrophobicContact CG1-CD2 4.08Å; V730-L735 HydrophobicContact CG1-CG 4.29Å; V730-L739 HydrophobicContact CG1-CD1 4.4Å
731	A	83.9	Confident	90.7	Very high	60 Å²	60	48.3 Å²	48.3	50%	0.496	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-75.7	157.5	178.4	0	0	0	0	0	112	G733 T736	A731-G733 PolarHBondContact O-N 3.05Å; A731-T736 PolarHBondContact O-OG1 2.71Å
732	K	84.2	Confident	90.4	Very high	209 Å²	209	49.2 Å²	49.2	91%	0.909	27%	0.27	S	S	*	.	S	Bend	trans	-64	132.2	171.8	-66.6	-174.4	178.8	-175.6	0	109.6
733	G	90.8	Very high	89.9	Confident	24 Å²	24	48.2 Å²	48.2	25%	0.247	27%	0.267	C	S	.	.	S	Bend	trans	173	179.7	-173.1	0	0	0	0	0	109	D555 A731 L735 T736 E737	D555-G733 WeakPolarHBondContact OD2-CA 3.46Å; A731-G733 PolarHBondContact O-N 3.05Å; G733-L735 VanDerWaalsContact C-N 3.25Å; G733-L735 PolarHBondContact O-N 3.31Å; G733-T736 WeakPolarHBondContact O-CB 2.9Å; G733-T736 PolarHBondContact O-N 3.34Å; G733-E737 PolarHBondContact O-N 3.09Å
734	L	94.7	Very high	89.6	Confident	25 Å²	25	45.8 Å²	45.8	13%	0.131	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-37.6	178.6	176.5	55.5	0	0	0	111.7	D555 L558 F559 V562 T736 E737 M738	D555-L734 WeakPolarHBondContact OD1-CA 3.31Å; D555-L734 PolarHBondContact OD1-N 2.86Å; D555-L734 PolarHBondContact OD2-N 3.41Å; L558-L734 HydrophobicContact CB-CD2 3.81Å; L558-L734 HydrophobicContact CB-CG 4.18Å; L558-L734 HydrophobicContact CD1-CG 4.46Å; F559-L734 HydrophobicContact CD1-CD2 3.99Å; F559-L734 HydrophobicContact CD2-CD2 4.47Å; F559-L734 HydrophobicContact CE1-CD2 4.01Å; F559-L734 HydrophobicContact CE2-CB 4.21Å; F559-L734 HydrophobicContact CE2-CD2 4.48Å; F559-L734 HydrophobicContact CG-CD2 4.22Å; F559-L734 HydrophobicContact CZ-CB 4.05Å; F559-L734 HydrophobicContact CZ-CD2 4.25Å; V562-L734 HydrophobicContact CG2-CD2 4.08Å; L734-T736 VanDerWaalsContact C-N 3.3Å; L734-T736 PolarHBondContact O-N 3.13Å; L734-E737 WeakPolarHBondContact O-CB 3.4Å; L734-E737 PolarHBondContact O-N 3.15Å; L734-M738 HydrophobicContact CD1-CG 4.47Å; L734-M738 WeakPolarHBondContact O-CG 3.15Å; L734-M738 PolarHBondContact O-N 2.96Å
735	L	96.4	Very high	89.2	Confident	2 Å²	2	46 Å²	46	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-55.3	-40.4	172.6	177.3	59.5	0	0	0	112.5	C551 I554 D555 L558 W587 L721 V730 G733 E737 M738 L739	C551-L735 HydrophobicContact CB-CD2 4.09Å; I554-L735 HydrophobicContact CB-CD2 4.22Å; I554-L735 HydrophobicContact CG2-CD1 3.87Å; I554-L735 HydrophobicContact CG2-CD2 4.05Å; I554-L735 HydrophobicContact CG2-CG 4.45Å; D555-L735 WeakPolarHBondContact OD1-CB 3.41Å; D555-L735 PolarHBondContact OD1-N 2.69Å; L558-L735 HydrophobicContact CD1-CB 3.84Å; L558-L735 HydrophobicContact CD1-CD1 4.05Å; W587-L735 HydrophobicContact CH2-CD1 3.45Å; W587-L735 VanDerWaalsContact CH2-CD1 3.45Å; W587-L735 HydrophobicContact CZ2-CD1 4.09Å; W587-L735 HydrophobicContact CZ3-CD1 3.96Å; L721-L735 HydrophobicContact CD1-CD1 4.27Å; V730-L735 HydrophobicContact CG1-CD2 4.08Å; V730-L735 HydrophobicContact CG1-CG 4.29Å; G733-L735 VanDerWaalsContact C-N 3.25Å; G733-L735 PolarHBondContact O-N 3.31Å; L735-E737 VanDerWaalsContact C-N 3.3Å; L735-E737 PolarHBondContact O-N 3.45Å; L735-M738 PolarHBondContact O-N 3.43Å; L735-L739 HydrophobicContact CD1-CD1 3.83Å; L735-L739 HydrophobicContact CD1-CG 3.98Å; L735-L739 HydrophobicContact CG-CD1 3.88Å; L735-L739 HydrophobicContact CG-CG 4.44Å; L735-L739 WeakPolarHBondContact O-CB 3.26Å; L735-L739 WeakPolarHBondContact O-CD1 3.31Å; L735-L739 WeakPolarHBondContact O-CG 3.45Å; L735-L739 PolarHBondContact O-N 3.3Å
736	T	94.2	Very high	88.4	Confident	30 Å²	30	45.8 Å²	45.8	18%	0.184	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-37.1	175.3	-78.7	0	0	0	0	111.1	M725 A731 G733 L734 V740	M725-T736 HydrophobicContact SD-CG2 4.02Å; A731-T736 PolarHBondContact O-OG1 2.71Å; G733-T736 WeakPolarHBondContact O-CB 2.9Å; G733-T736 PolarHBondContact O-N 3.34Å; L734-T736 VanDerWaalsContact C-N 3.3Å; L734-T736 PolarHBondContact O-N 3.13Å; T736-V740 VanDerWaalsContact O-CG2 3.27Å; T736-V740 WeakPolarHBondContact O-CG2 3.46Å; T736-V740 PolarHBondContact O-N 3.02Å
737	E	92.8	Very high	87.7	Confident	105 Å²	105	46.3 Å²	46.3	49%	0.491	27%	0.267	S	S	.	.	H	α-helix	trans	-71.4	-43	178.8	-58.6	-171.7	179.6	0	0	111.8	G733 L734 L735 L739 V740 S741	G733-E737 PolarHBondContact O-N 3.09Å; L734-E737 WeakPolarHBondContact O-CB 3.4Å; L734-E737 PolarHBondContact O-N 3.15Å; L735-E737 VanDerWaalsContact C-N 3.3Å; L735-E737 PolarHBondContact O-N 3.45Å; E737-L739 PolarHBondContact O-N 3.31Å; E737-V740 PolarHBondContact O-N 3Å; E737-S741 PolarHBondContact O-N 3.16Å
738	M	95.3	Very high	86.8	Confident	8 Å²	8	48.5 Å²	48.5	4%	0.039	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-45.8	173.2	-64.2	-58.1	-133.2	0	0	111.8	L558 L583 Q584 W587 L734 L735 V740 S741 Y742	L558-M738 HydrophobicContact CD1-CG 4.16Å; L558-M738 HydrophobicContact CD2-CE 3.77Å; L558-M738 HydrophobicContact CD2-CG 4.15Å; L583-M738 HydrophobicContact CB-CE 4.38Å; Q584-M738 HydrophobicContact CB-SD 4.36Å; Q584-M738 HydrophobicContact CG-SD 3.68Å; W587-M738 HydrophobicContact CB-CE 3.84Å; W587-M738 HydrophobicContact CD2-CB 4.45Å; W587-M738 HydrophobicContact CG-CE 3.97Å; W587-M738 HydrophobicContact CG-CG 4.46Å; W587-M738 HydrophobicContact CZ2-CB 4.37Å; L734-M738 HydrophobicContact CD1-CG 4.47Å; L734-M738 WeakPolarHBondContact O-CG 3.15Å; L734-M738 PolarHBondContact O-N 2.96Å; L735-M738 PolarHBondContact O-N 3.43Å; M738-V740 VanDerWaalsContact C-N 3.33Å; M738-V740 PolarHBondContact O-N 2.82Å; M738-S741 WeakPolarHBondContact O-CA 3.32Å; M738-S741 WeakPolarHBondContact O-CB 3.41Å; M738-S741 PolarHBondContact O-N 3.36Å; M738-S741 VanDerWaalsContact O-N 3.1Å; M738-Y742 PolarHBondContact O-N 2.87Å
739	L	94.6	Very high	85.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.8	-27.6	177.7	-66.7	171.7	0	0	0	113.2	W587 E718 L721 Y722 M725 V730 L735 E737 G743	W587-L739 HydrophobicContact CZ2-CD2 4.09Å; E718-L739 HydrophobicContact CG-CD2 3.98Å; E718-L739 WeakPolarHBondContact O-CD2 3.18Å; L721-L739 HydrophobicContact CB-CD1 3.84Å; L721-L739 HydrophobicContact CB-CD2 3.87Å; Y722-L739 WeakPolarHBondContact CD2-O 3.5Å; M725-L739 HydrophobicContact CB-CD1 4.22Å; M725-L739 HydrophobicContact CE-CB 4Å; M725-L739 HydrophobicContact SD-CB 3.56Å; M725-L739 VanDerWaalsContact SD-CB 3.56Å; M725-L739 HydrophobicContact SD-CD1 4.3Å; V730-L739 HydrophobicContact CG1-CD1 4.4Å; L735-L739 HydrophobicContact CD1-CD1 3.83Å; L735-L739 HydrophobicContact CD1-CG 3.98Å; L735-L739 HydrophobicContact CG-CD1 3.88Å; L735-L739 HydrophobicContact CG-CG 4.44Å; L735-L739 WeakPolarHBondContact O-CB 3.26Å; L735-L739 WeakPolarHBondContact O-CD1 3.31Å; L735-L739 WeakPolarHBondContact O-CG 3.45Å; L735-L739 PolarHBondContact O-N 3.3Å; E737-L739 PolarHBondContact O-N 3.31Å; L739-G743 PolarHBondContact O-N 2.81Å
740	V	90.9	Very high	84.5	Confident	76 Å²	76	50.9 Å²	50.9	46%	0.461	27%	0.269	S	S	.	.	H	α-helix	trans	-69.3	-35.4	169.6	165.6	0	0	0	0	111.2	M725 T736 E737 M738 G743 S744	M725-V740 HydrophobicContact CE-CG2 3.93Å; M725-V740 HydrophobicContact SD-CG2 4.11Å; T736-V740 VanDerWaalsContact O-CG2 3.27Å; T736-V740 WeakPolarHBondContact O-CG2 3.46Å; T736-V740 PolarHBondContact O-N 3.02Å; E737-V740 PolarHBondContact O-N 3Å; M738-V740 VanDerWaalsContact C-N 3.33Å; M738-V740 PolarHBondContact O-N 2.82Å; V740-G743 PolarHBondContact O-N 2.73Å; V740-S744 PolarHBondContact O-N 3.08Å; V740-S744 VanDerWaalsContact O-N 3.13Å; V740-S744 PolarHBondContact O-OG 3.32Å
741	S	88.9	Confident	83.1	Confident	19 Å²	19	54 Å²	54	13%	0.133	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-47.2	171	-172.7	0	0	0	0	111.8	Q584 E737 M738 G743 S744 R745	Q584-S741 PolarHBondContact OE1-OG 3.34Å; E737-S741 PolarHBondContact O-N 3.16Å; M738-S741 WeakPolarHBondContact O-CA 3.32Å; M738-S741 WeakPolarHBondContact O-CB 3.41Å; M738-S741 PolarHBondContact O-N 3.36Å; M738-S741 VanDerWaalsContact O-N 3.1Å; S741-G743 VanDerWaalsContact C-N 3.31Å; S741-G743 PolarHBondContact O-N 3.33Å; S741-S744 CarbonylContact O-C 3.57Å; S741-S744 WeakPolarHBondContact O-CA 3.46Å; S741-S744 WeakPolarHBondContact O-CB 3.45Å; S741-S744 PolarHBondContact O-N 3.04Å; S741-R745 PolarHBondContact O-N 3.39Å
742	Y	90	Very high	81.5	Confident	20 Å²	20	54.8 Å²	54.8	8%	0.078	28%	0.282	C	S	.	.	H	α-helix	trans	-52.6	-48	171.3	174.5	-99	0	0	0	112.4	E718 Q719 Y722 M738 S744 R745 A746	E718-Y742 HydrophobicContact CB-CD2 4.47Å; E718-Y742 HydrophobicContact CG-CD1 4.29Å; E718-Y742 HydrophobicContact CG-CD2 3.55Å; E718-Y742 HydrophobicContact CG-CE2 4.13Å; E718-Y742 HydrophobicContact CG-CG 3.62Å; E718-Y742 WeakPolarHBondContact OE1-CB 3.25Å; E718-Y742 WeakPolarHBondContact OE2-CD2 3.36Å; Q719-Y742 HydrophobicContact CB-CE1 4.43Å; Q719-Y742 WeakPolarHBondContact CB-OH 3.41Å; Q719-Y742 WeakPolarHBondContact CG-OH 3.5Å; Y722-Y742 AromaticContact CD1-CD1 3.81Å; Y722-Y742 HydrophobicContact CD1-CD1 3.81Å; Y722-Y742 AromaticContact CD1-CE1 3.7Å; Y722-Y742 HydrophobicContact CD1-CE1 3.7Å; Y722-Y742 HydrophobicContact CD2-CD1 4.04Å; Y722-Y742 HydrophobicContact CE1-CD1 4.45Å; Y722-Y742 HydrophobicContact CE1-CE1 4.4Å; Y722-Y742 AromaticContact CG-CD1 3.57Å; Y722-Y742 HydrophobicContact CG-CD1 3.57Å; Y722-Y742 AromaticContact CG-CE1 3.89Å; Y722-Y742 HydrophobicContact CG-CE1 3.89Å; M738-Y742 PolarHBondContact O-N 2.87Å; Y742-S744 PolarHBondContact O-N 3.33Å; Y742-S744 VanDerWaalsContact O-N 3.12Å; Y742-R745 PolarHBondContact O-N 3.46Å; Y742-R745 VanDerWaalsContact O-N 3.16Å; Y742-A746 HydrophobicContact CE1-CB 4.35Å; Y742-A746 WeakPolarHBondContact O-CB 2.99Å; Y742-A746 PolarHBondContact O-N 3.05Å
743	G	84.6	Confident	79.7	Confident	2 Å²	2	51 Å²	51	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-58.5	-26.3	176.7	0	0	0	0	0	113.7	Y722 L739 V740 S741 Q747	Y722-G743 VanDerWaalsContact CZ-CA 3.42Å; L739-G743 PolarHBondContact O-N 2.81Å; V740-G743 PolarHBondContact O-N 2.73Å; S741-G743 VanDerWaalsContact C-N 3.31Å; S741-G743 PolarHBondContact O-N 3.33Å; G743-Q747 WeakPolarHBondContact O-CG 3.1Å; G743-Q747 PolarHBondContact O-NE2 2.91Å
744	S	83.4	Confident	77.8	Confident	50 Å²	50	54.7 Å²	54.7	35%	0.35	28%	0.283	S	S	.	.	H	α-helix	trans	-85	-39.9	176.7	-54.5	0	0	0	0	112.1	V740 S741 Y742 Q747 Q748	V740-S744 PolarHBondContact O-N 3.08Å; V740-S744 VanDerWaalsContact O-N 3.13Å; V740-S744 PolarHBondContact O-OG 3.32Å; S741-S744 CarbonylContact O-C 3.57Å; S741-S744 WeakPolarHBondContact O-CA 3.46Å; S741-S744 WeakPolarHBondContact O-CB 3.45Å; S741-S744 PolarHBondContact O-N 3.04Å; Y742-S744 PolarHBondContact O-N 3.33Å; Y742-S744 VanDerWaalsContact O-N 3.12Å; S744-Q747 PolarHBondContact O-N 2.77Å; S744-Q748 PolarHBondContact O-N 3.48Å; S744-Q748 PolarHBondContact O-NE2 2.72Å; S744-Q748 VanDerWaalsContact O-NE2 3.14Å
745	R	83.1	Confident	75.9	Confident	54 Å²	54	57.8 Å²	57.8	20%	0.204	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-53.1	171	-69.7	-173.2	-79.8	128.3	0.8	110.7	Q584 E718 S741 Y742 Q747 Q748 Q749	Q584-R745 VanDerWaalsContact O-CZ 3.23Å; Q584-R745 PolarHBondContact O-NE 3.09Å; Q584-R745 PolarHBondContact O-NH2 3.39Å; E718-R745 IonicContact OE1-NH2 3.4Å; E718-R745 PolarHBondContact OE1-NH2 2.76Å; E718-R745 IonicContact OE2-CZ 2.7Å; E718-R745 IonicContact OE2-NH1 2.72Å; E718-R745 PolarHBondContact OE2-NH1 3.13Å; E718-R745 IonicContact OE2-NH2 2.68Å; E718-R745 PolarHBondContact OE2-NH2 3.39Å; S741-R745 PolarHBondContact O-N 3.39Å; Y742-R745 PolarHBondContact O-N 3.46Å; Y742-R745 VanDerWaalsContact O-N 3.16Å; R745-Q747 PolarHBondContact O-N 3.19Å; R745-Q748 PolarHBondContact O-N 2.76Å; R745-Q748 VanDerWaalsContact O-N 3.09Å; R745-Q749 WeakPolarHBondContact O-CG 3.48Å; R745-Q749 PolarHBondContact O-N 2.7Å
746	A	77.1	Confident	73.7	Confident	23 Å²	23	59.3 Å²	59.3	19%	0.19	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-24.5	180	0	0	0	0	0	114	Y742 Q750	Y742-A746 HydrophobicContact CE1-CB 4.35Å; Y742-A746 WeakPolarHBondContact O-CB 2.99Å; Y742-A746 PolarHBondContact O-N 3.05Å; A746-Q750 WeakPolarHBondContact O-CG 3.11Å; A746-Q750 PolarHBondContact O-N 3.37Å
747	Q	72.6	Confident	71.9	Confident	86 Å²	86	62.6 Å²	62.6	40%	0.402	32%	0.324	S	S	.	.	H	α-helix	trans	-77.4	-37.5	173	-83.9	172.8	96	0	0	112.4	G743 S744 R745 Q750 V751	G743-Q747 WeakPolarHBondContact O-CG 3.1Å; G743-Q747 PolarHBondContact O-NE2 2.91Å; S744-Q747 PolarHBondContact O-N 2.77Å; R745-Q747 PolarHBondContact O-N 3.19Å; Q747-Q750 PolarHBondContact O-N 2.96Å; Q747-V751 WeakPolarHBondContact O-CG2 3.2Å; Q747-V751 PolarHBondContact O-N 3.01Å; Q747-V751 VanDerWaalsContact O-N 3.1Å
748	Q	68.9	Low	70	Confident	80 Å²	80	61.3 Å²	61.3	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-62.5	-45.6	176.1	-72.4	157.8	50.1	0	0	110.7	S744 R745 Q750 V751 E752	S744-Q748 PolarHBondContact O-N 3.48Å; S744-Q748 PolarHBondContact O-NE2 2.72Å; S744-Q748 VanDerWaalsContact O-NE2 3.14Å; R745-Q748 PolarHBondContact O-N 2.76Å; R745-Q748 VanDerWaalsContact O-N 3.09Å; Q748-Q750 PolarHBondContact O-N 3.37Å; Q748-V751 PolarHBondContact O-N 3.32Å; Q748-E752 PolarHBondContact O-N 3.49Å; Q748-E752 VanDerWaalsContact O-N 3.14Å
749	Q	63.5	Low	68	Low	78 Å²	78	66.5 Å²	66.5	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-56.7	-36.1	174.6	-63.9	-176.3	-29.9	0	0	113.4	L268 R745 M753	L268-Q749 HydrophobicContact CD1-CB 3.93Å; L268-Q749 HydrophobicContact CD1-CG 3.95Å; L268-Q749 HydrophobicContact CD2-CG 3.75Å; L268-Q749 HydrophobicContact CG-CG 4.41Å; R745-Q749 WeakPolarHBondContact O-CG 3.48Å; R745-Q749 PolarHBondContact O-N 2.7Å; Q749-M753 WeakPolarHBondContact O-CG 3.21Å
750	Q	57.4	Low	66.1	Low	100 Å²	100	71.2 Å²	71.2	47%	0.467	37%	0.371	S	S	.	.	H	α-helix	trans	-75.4	-30.2	176.2	-74.9	-170.3	-36.7	0	0	113.3	A746 Q747 Q748 N754	A746-Q750 WeakPolarHBondContact O-CG 3.11Å; A746-Q750 PolarHBondContact O-N 3.37Å; Q747-Q750 PolarHBondContact O-N 2.96Å; Q748-Q750 PolarHBondContact O-N 3.37Å; Q750-N754 PolarHBondContact O-N 2.99Å; Q750-N754 PolarHBondContact O-ND2 2.99Å
751	V	57.7	Low	64.3	Low	84 Å²	84	72.4 Å²	72.4	51%	0.509	38%	0.375	S	S	.	.	H	α-helix	trans	-69.6	-49.9	177.3	172.7	0	0	0	0	110.2	Q747 Q748 M753 N754 D755	Q747-V751 WeakPolarHBondContact O-CG2 3.2Å; Q747-V751 PolarHBondContact O-N 3.01Å; Q747-V751 VanDerWaalsContact O-N 3.1Å; Q748-V751 PolarHBondContact O-N 3.32Å; V751-M753 VanDerWaalsContact C-N 3.32Å; V751-M753 PolarHBondContact O-N 3.21Å; V751-N754 PolarHBondContact O-N 3.48Å; V751-D755 PolarHBondContact O-N 2.91Å; V751-D755 VanDerWaalsContact O-N 3.11Å
752	E	49.8	Very low	62.3	Low	76 Å²	76	73.4 Å²	73.4	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-55.5	-45	-178.2	-70.3	164.5	-158.2	0	0	111.5	L268 Q748 N754 D755 D756	L268-E752 HydrophobicContact CD1-CB 4.37Å; L268-E752 WeakPolarHBondContact CD1-OE2 3.19Å; Q748-E752 PolarHBondContact O-N 3.49Å; Q748-E752 VanDerWaalsContact O-N 3.14Å; E752-N754 VanDerWaalsContact C-N 3.34Å; E752-N754 PolarHBondContact O-N 3.41Å; E752-D755 PolarHBondContact O-N 3.24Å; E752-D756 PolarHBondContact O-N 2.97Å
753	M	47.6	Very low	60.4	Low	128 Å²	128	78.9 Å²	78.9	63%	0.631	42%	0.418	S	S	*	.	H	α-helix	trans	-59.1	-36.9	174	-70.5	-175.1	71.1	0	0	114.5	Q749 V751 D757	Q749-M753 WeakPolarHBondContact O-CG 3.21Å; V751-M753 VanDerWaalsContact C-N 3.32Å; V751-M753 PolarHBondContact O-N 3.21Å; M753-D757 PolarHBondContact O-N 3.4Å; M753-D757 VanDerWaalsContact O-N 3.15Å
754	N	51	Low	58.7	Low	103 Å²	103	86.5 Å²	86.5	55%	0.551	45%	0.451	S	S	*	.	H	α-helix	trans	-75.4	-31.2	-179.3	-79.7	-84.5	0	0	0	112.3	Q750 V751 E752 S758	Q750-N754 PolarHBondContact O-N 2.99Å; Q750-N754 PolarHBondContact O-ND2 2.99Å; V751-N754 PolarHBondContact O-N 3.48Å; E752-N754 VanDerWaalsContact C-N 3.34Å; E752-N754 PolarHBondContact O-N 3.41Å; N754-S758 WeakPolarHBondContact O-CB 3.41Å; N754-S758 PolarHBondContact O-N 3.12Å; N754-S758 PolarHBondContact O-OG 2.93Å
755	D	53.2	Low	56.9	Low	89 Å²	89	88.5 Å²	88.5	48%	0.476	47%	0.465	S	S	.	.	H	α-helix	trans	-70.8	-37.6	177.1	-73.9	-36	0	0	0	111.3	V751 E752 S758 R759	V751-D755 PolarHBondContact O-N 2.91Å; V751-D755 VanDerWaalsContact O-N 3.11Å; E752-D755 PolarHBondContact O-N 3.24Å; D755-S758 WeakPolarHBondContact O-CB 3.45Å; D755-S758 PolarHBondContact O-N 3.42Å; D755-R759 WeakPolarHBondContact O-CG 3.44Å; D755-R759 PolarHBondContact O-N 3.26Å
756	D	52	Low	54.9	Low	34 Å²	34	88.4 Å²	88.4	18%	0.182	48%	0.481	C	S	.	.	H	α-helix	trans	-77.4	-32.8	177.8	-66.2	-45.9	0	0	0	113.1	N264 E752 S758 R759 N760	N264-D756 WeakPolarHBondContact CB-OD2 3.33Å; E752-D756 PolarHBondContact O-N 2.97Å; D756-S758 VanDerWaalsContact C-N 3.28Å; D756-S758 PolarHBondContact O-N 3.2Å; D756-R759 PolarHBondContact O-N 2.85Å; D756-R759 WeakPolarHBondContact OD1-CD 3.42Å; D756-R759 IonicContact OD1-CZ 2.72Å; D756-R759 IonicContact OD1-NH1 3.14Å; D756-R759 PolarHBondContact OD1-NH1 3.06Å; D756-N760 PolarHBondContact O-N 3.45Å
757	D	55	Low	53.3	Low	99 Å²	99	91.6 Å²	91.6	53%	0.529	51%	0.507	S	S	.	.	H	α-helix	trans	-61.6	-37.1	165	-95.6	-25.5	0	0	0	111.7	M753 N760 N761	M753-D757 PolarHBondContact O-N 3.4Å; M753-D757 VanDerWaalsContact O-N 3.15Å; D757-N760 PolarHBondContact O-N 2.7Å; D757-N761 PolarHBondContact O-N 2.69Å; D757-N761 PolarHBondContact O-ND2 2.96Å
758	S	53.1	Low	51.8	Low	79 Å²	79	95.9 Å²	95.9	55%	0.552	53%	0.527	S	S	*	.	H	α-helix	trans	-67.5	-40.7	176.7	-61.5	0	0	0	0	111.7	N754 D755 D756 G762	N754-S758 WeakPolarHBondContact O-CB 3.41Å; N754-S758 PolarHBondContact O-N 3.12Å; N754-S758 PolarHBondContact O-OG 2.93Å; D755-S758 WeakPolarHBondContact O-CB 3.45Å; D755-S758 PolarHBondContact O-N 3.42Å; D756-S758 VanDerWaalsContact C-N 3.28Å; D756-S758 PolarHBondContact O-N 3.2Å; S758-G762 PolarHBondContact O-N 3.32Å
759	R	54.5	Low	50.5	Low	116 Å²	116	100.3 Å²	100.3	44%	0.438	55%	0.55	S	S	.	.	H	α-helix	trans	-61.9	-46.8	172.8	-76.8	168.8	165.4	156	-5.1	112.4	D755 D756 N761 G762 L763	D755-R759 WeakPolarHBondContact O-CG 3.44Å; D755-R759 PolarHBondContact O-N 3.26Å; D756-R759 PolarHBondContact O-N 2.85Å; D756-R759 WeakPolarHBondContact OD1-CD 3.42Å; D756-R759 IonicContact OD1-CZ 2.72Å; D756-R759 IonicContact OD1-NH1 3.14Å; D756-R759 PolarHBondContact OD1-NH1 3.06Å; R759-N761 VanDerWaalsContact C-N 3.3Å; R759-N761 PolarHBondContact O-N 3.44Å; R759-G762 WeakPolarHBondContact O-CA 3.45Å; R759-G762 PolarHBondContact O-N 3.09Å; R759-L763 VanDerWaalsContact O-CD1 3.27Å; R759-L763 WeakPolarHBondContact O-CD1 3.34Å; R759-L763 PolarHBondContact O-N 3.21Å
760	N	53.6	Low	49.3	Very low	99 Å²	99	104.7 Å²	104.7	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-62.4	-35.5	-178.9	-108.3	-43.1	0	0	0	113	D756 D757 K764	D756-N760 PolarHBondContact O-N 3.45Å; D757-N760 PolarHBondContact O-N 2.7Å; N760-K764 PolarHBondContact O-N 3.18Å
761	N	53.7	Low	48.2	Very low	102 Å²	102	103.7 Å²	103.7	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-75.5	-28	173.1	-72.1	-64.8	0	0	0	113	D757 R759 S765	D757-N761 PolarHBondContact O-N 2.69Å; D757-N761 PolarHBondContact O-ND2 2.96Å; R759-N761 VanDerWaalsContact C-N 3.3Å; R759-N761 PolarHBondContact O-N 3.44Å; N761-S765 PolarHBondContact O-N 3.19Å; N761-S765 PolarHBondContact O-OG 2.83Å
762	G	47.1	Very low	47.2	Very low	40 Å²	40	104.6 Å²	104.6	41%	0.412	61%	0.609	S	S	.	*	H	α-helix	trans	-61.3	-50	169.9	0	0	0	0	0	112.9	S758 R759 K764 S765 G766	S758-G762 PolarHBondContact O-N 3.32Å; R759-G762 WeakPolarHBondContact O-CA 3.45Å; R759-G762 PolarHBondContact O-N 3.09Å; G762-K764 VanDerWaalsContact C-N 3.33Å; G762-K764 PolarHBondContact O-N 3.32Å; G762-S765 PolarHBondContact O-N 3.14Å; G762-S765 PolarHBondContact O-OG 3.18Å; G762-G766 PolarHBondContact O-N 3.06Å
763	L	49.4	Very low	46.6	Very low	134 Å²	134	105.5 Å²	105.5	70%	0.702	63%	0.629	S	S	*	*	H	α-helix	trans	-63.2	-37.9	178.2	-82.5	85.3	0	0	0	112.5	R759 S765 G766	R759-L763 VanDerWaalsContact O-CD1 3.27Å; R759-L763 WeakPolarHBondContact O-CD1 3.34Å; R759-L763 PolarHBondContact O-N 3.21Å; L763-S765 VanDerWaalsContact C-N 3.26Å; L763-S765 PolarHBondContact O-N 3.38Å; L763-G766 PolarHBondContact O-N 3.4Å
764	K	48.2	Very low	46	Very low	162 Å²	162	109.3 Å²	109.3	70%	0.704	64%	0.642	S	S	*	*	H	α-helix	trans	-68.8	-19	178.1	-74.3	-179.9	179.4	175.8	0	114.4	N760 G762	N760-K764 PolarHBondContact O-N 3.18Å; G762-K764 VanDerWaalsContact C-N 3.33Å; G762-K764 PolarHBondContact O-N 3.32Å
765	S	46.1	Very low	45.3	Very low	93 Å²	93	115 Å²	115	65%	0.65	68%	0.681	S	S	*	*	H	α-helix	trans	-93.8	-14.5	177.1	43.6	0	0	0	0	113.9	N761 G762 L763	N761-S765 PolarHBondContact O-N 3.19Å; N761-S765 PolarHBondContact O-OG 2.83Å; G762-S765 PolarHBondContact O-N 3.14Å; G762-S765 PolarHBondContact O-OG 3.18Å; L763-S765 VanDerWaalsContact C-N 3.26Å; L763-S765 PolarHBondContact O-N 3.38Å
766	G	41.6	Very low	44.9	Very low	52 Å²	52	116.4 Å²	116.4	54%	0.536	69%	0.691	S	S	.	*	H	α-helix	trans	-81.2	-28.1	172.9	0	0	0	0	0	114.6	G762 L763 H768	G762-G766 PolarHBondContact O-N 3.06Å; L763-G766 PolarHBondContact O-N 3.4Å; G766-H768 PolarHBondContact O-N 3Å
767	A	43.4	Very low	44.5	Very low	90 Å²	90	120.7 Å²	120.7	74%	0.744	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	21.5	-166	0	0	0	0	0	116.5
768	H	41.9	Very low	44	Very low	176 Å²	176	121.9 Å²	121.9	82%	0.815	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.2	11.9	-170.4	-133.9	-52.6	0	0	0	116.2	G766	G766-H768 PolarHBondContact O-N 3Å
769	M	41.2	Very low	43.4	Very low	172 Å²	172	124.4 Å²	124.4	85%	0.847	74%	0.739	S	S	*	*	S	Bend	trans	-115.7	-8.9	-178.8	-80.9	-70.5	173.4	0	0	115.8	G771	M769-G771 PolarHBondContact O-N 2.82Å
770	D	37.6	Very low	42.7	Very low	171 Å²	171	124.9 Å²	124.9	91%	0.914	76%	0.758	S	S	*	*	S	Bend	trans	-97.5	82.6	174.6	-77.8	-58.4	0	0	0	111.4
771	G	34.5	Very low	42	Very low	79 Å²	79	126.7 Å²	126.7	81%	0.814	77%	0.773	S	S	*	*			trans	-161.5	0.5	-179.4	0	0	0	0	0	117.6	M769	M769-G771 PolarHBondContact O-N 2.82Å
772	A	37.3	Very low	41.2	Very low	103 Å²	103	128.4 Å²	128.4	85%	0.851	79%	0.789	S	S	*	*	S	Bend	trans	-128	45.3	-169.4	0	0	0	0	0	113.6
773	A	35.6	Very low	40.7	Very low	95 Å²	95	135.2 Å²	135.2	79%	0.785	82%	0.818	S	S	*	*	S	Bend	trans	-152.1	37.5	-178.2	0	0	0	0	0	114.9
774	K	35.6	Very low	40	Very low	207 Å²	207	135.3 Å²	135.3	90%	0.9	83%	0.828	S	S	*	*			trans	-165.2	51.7	174.3	-119.7	164.5	-169.3	175.2	0	117.7
775	T	36.9	Very low	39.2	Very low	224 Å²	224	132.9 Å²	132.9	100%	1.374	84%	0.839	S	S	*	*			trans	-155.1	0	154.2	9.7	0	0	0	0	110.5

Retrieved 775 of 775 residues in 1499.3 ms (Link to these results)

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