A0A077Z1I0_TRITR Loading...

CAP GLY domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1I0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 544 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	H	38	Very low	36.8	Very low	240 Å²	240	131 Å²	131	100%	1.111	78%	0.776	S	S	*	*				0	95.9	0	-110.2	-93.2	0	0	0	107.2
2	E	37.8	Very low	37.5	Very low	186 Å²	186	131.8 Å²	131.8	87%	0.869	79%	0.787	S	S	*	*			trans	42.3	113.8	156.1	-41.6	-150.5	146.1	0	0	118.1
3	G	33.4	Very low	38.1	Very low	65 Å²	65	132 Å²	132	67%	0.67	78%	0.775	S	S	*	*			cis	78.3	119.6	37.5	0	0	0	0	0	109.3
4	H	39.7	Very low	38.8	Very low	190 Å²	190	127.8 Å²	127.8	88%	0.88	75%	0.754	S	S	*	*			cis	-156.4	127.7	33.4	-83.6	-118.7	0	0	0	108.9
5	S	37	Very low	39.5	Very low	96 Å²	96	123.5 Å²	123.5	67%	0.671	73%	0.73	S	S	*	*				38.5	113.8	94.8	-163.5	0	0	0	0	117.9
6	L	38.2	Very low	40.1	Very low	164 Å²	164	122.6 Å²	122.6	86%	0.859	73%	0.725	S	S	*	*				-151.7	96	126.5	-81.5	-172.1	0	0	0	110.3
7	S	29.4	Very low	41.8	Very low	105 Å²	105	119 Å²	119	73%	0.734	71%	0.705	S	S	*	*			trans	-89.9	121.5	158.1	52	0	0	0	0	108.5
8	I	40.5	Very low	44.1	Very low	148 Å²	148	114.1 Å²	114.1	76%	0.759	67%	0.673	S	S	*	*			trans	-122.7	101.6	158.2	-61.4	179.7	0	0	0	107.4	A10	I8-A10 PolarHBondContact O-N 3.44Å
9	S	29.8	Very low	46.5	Very low	121 Å²	121	111.9 Å²	111.9	85%	0.846	66%	0.661	S	S	*	*			trans	-65.5	92.8	163.5	54.7	0	0	0	0	108.9	G11	S9-G11 PolarHBondContact O-N 3.46Å
10	A	42.4	Very low	48.6	Very low	77 Å²	77	112.2 Å²	112.2	64%	0.636	66%	0.655	S	S	*	*			trans	-80.5	107.7	162.9	0	0	0	0	0	107.6	I8	I8-A10 PolarHBondContact O-N 3.44Å
11	G	39.2	Very low	50.7	Low	49 Å²	49	110 Å²	110	51%	0.505	64%	0.636	S	S	.	*			trans	-55.2	162.3	164.4	0	0	0	0	0	110.6	S9 Q13	S9-G11 PolarHBondContact O-N 3.46Å; G11-Q13 PolarHBondContact O-N 3.47Å
12	P	45.3	Very low	53.4	Low	140 Å²	140	102.4 Å²	102.4	91%	0.909	60%	0.603	S	S	*	*			trans	-60.7	105	-176.2	25.8	-31.9	0	0	0	109.4
13	Q	44.5	Very low	56.1	Low	135 Å²	135	94.6 Å²	94.6	63%	0.631	57%	0.572	S	S	*	*			trans	-63.1	156.9	172.2	-68.8	-70.7	-1.1	0	0	109.1	G11 V15	G11-Q13 PolarHBondContact O-N 3.47Å; Q13-V15 PolarHBondContact O-N 3.31Å
14	P	48.4	Very low	59	Low	73 Å²	73	93 Å²	93	47%	0.474	55%	0.551	S	S	.	*	S	Bend	trans	-71.1	39.3	-166.9	29.9	-37.2	0	0	0	115.7	V16 T17	P14-V16 PolarHBondContact O-N 3.49Å; P14-V16 VanDerWaalsContact O-N 3.09Å; P14-T17 PolarHBondContact O-N 3.23Å; P14-T17 PolarHBondContact O-OG1 3.46Å
15	V	48.8	Very low	61.7	Low	64 Å²	64	86.3 Å²	86.3	39%	0.388	53%	0.525	S	S	.	.	H	α-helix	trans	-56.3	-29.5	-177.4	-173.4	0	0	0	0	112.4	Q13 T17 I48	Q13-V15 PolarHBondContact O-N 3.31Å; V15-T17 PolarHBondContact O-N 3.33Å; V15-I48 HydrophobicContact CG1-CD1 4.41Å; V15-I48 HydrophobicContact CG1-CG1 4.35Å; V15-I48 HydrophobicContact CG2-CD1 4.5Å; V15-I48 HydrophobicContact CG2-CG1 3.88Å
16	V	49.4	Very low	64.6	Low	108 Å²	108	81.8 Å²	81.8	66%	0.655	49%	0.493	S	S	*	.	H	α-helix	trans	-68.1	-18.5	-178	-170.4	0	0	0	0	112.4	P14	P14-V16 PolarHBondContact O-N 3.49Å; P14-V16 VanDerWaalsContact O-N 3.09Å
17	T	69.2	Low	67.3	Low	62 Å²	62	74.6 Å²	74.6	38%	0.38	46%	0.456	S	S	.	.	H	α-helix	trans	-86.4	-35.6	-172.2	60	0	0	0	0	114.3	P14 V15 E20 Y21	P14-T17 PolarHBondContact O-N 3.23Å; P14-T17 PolarHBondContact O-OG1 3.46Å; V15-T17 PolarHBondContact O-N 3.33Å; T17-E20 WeakPolarHBondContact O-CG 3.35Å; T17-Y21 WeakPolarHBondContact O-CD2 3.42Å; T17-Y21 WeakPolarHBondContact O-CE2 3.49Å
18	F	82.7	Confident	70.4	Confident	31 Å²	31	70.2 Å²	70.2	14%	0.136	42%	0.424	C	S	.	.	H	α-helix	trans	-79.6	-25.7	-171.6	-84.3	-95	0	0	0	114.5	E20 Y21 L36 V39 V83 I88	F18-E20 PolarHBondContact O-N 3.09Å; F18-Y21 PolarHBondContact O-N 3.23Å; F18-L36 HydrophobicContact CD1-CD2 4.46Å; F18-V39 HydrophobicContact CB-CG1 3.82Å; F18-V39 HydrophobicContact CB-CG2 3.98Å; F18-V83 HydrophobicContact CD1-CG1 4.41Å; F18-V83 HydrophobicContact CD2-CG1 3.3Å; F18-V83 HydrophobicContact CE1-CG1 4.35Å; F18-V83 HydrophobicContact CE2-CG1 3.23Å; F18-V83 HydrophobicContact CG-CG1 3.91Å; F18-V83 HydrophobicContact CZ-CG1 3.78Å; F18-I88 HydrophobicContact CD1-CD1 4.07Å; F18-I88 HydrophobicContact CD1-CG1 4.42Å; F18-I88 HydrophobicContact CE1-CD1 3.85Å; F18-I88 HydrophobicContact CE1-CG1 4.05Å; F18-I88 HydrophobicContact CZ-CD1 4.46Å
19	T	89.1	Confident	72.8	Confident	73 Å²	73	67.2 Å²	67.2	45%	0.448	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-63.6	-28.8	-177	-48.8	0	0	0	0	112.6	Y21 I22	T19-Y21 PolarHBondContact O-N 2.75Å; T19-I22 HydrophobicContact CG2-CD1 3.87Å; T19-I22 WeakPolarHBondContact O-CG1 3.3Å; T19-I22 PolarHBondContact O-N 3.12Å
20	E	89.8	Confident	75.6	Confident	116 Å²	116	64 Å²	64	54%	0.542	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-71.8	-15.5	177	77.4	-164.1	172.7	0	0	113.4	T17 F18	T17-E20 WeakPolarHBondContact O-CG 3.35Å; F18-E20 PolarHBondContact O-N 3.09Å
21	Y	91.8	Very high	78	Confident	67 Å²	67	68.1 Å²	68.1	26%	0.263	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-99.1	11.4	179.3	-58	-82.2	0	0	0	112.9	T17 F18 T19 G23 S24 I88	T17-Y21 WeakPolarHBondContact O-CD2 3.42Å; T17-Y21 WeakPolarHBondContact O-CE2 3.49Å; F18-Y21 PolarHBondContact O-N 3.23Å; T19-Y21 PolarHBondContact O-N 2.75Å; Y21-G23 PolarHBondContact O-N 3.38Å; Y21-G23 VanDerWaalsContact O-N 3.16Å; Y21-S24 WeakPolarHBondContact O-CB 3.38Å; Y21-S24 PolarHBondContact O-N 3.21Å; Y21-S24 PolarHBondContact O-OG 3.16Å; Y21-I88 HydrophobicContact CD1-CD1 3.75Å; Y21-I88 HydrophobicContact CD1-CG1 4.33Å; Y21-I88 HydrophobicContact CD1-CG2 3.83Å; Y21-I88 HydrophobicContact CD2-CD1 3.29Å; Y21-I88 HydrophobicContact CD2-CG1 4.4Å; Y21-I88 HydrophobicContact CE1-CD1 4.04Å; Y21-I88 HydrophobicContact CE1-CG2 4.28Å; Y21-I88 HydrophobicContact CE2-CD1 3.62Å; Y21-I88 HydrophobicContact CG-CD1 3.37Å; Y21-I88 HydrophobicContact CG-CG1 4.07Å; Y21-I88 HydrophobicContact CG-CG2 4.37Å
22	I	94.9	Very high	80.6	Confident	81 Å²	81	68.8 Å²	68.8	42%	0.415	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	122.8	172	-67	171.7	0	0	0	108.2	T19 V39	T19-I22 HydrophobicContact CG2-CD1 3.87Å; T19-I22 WeakPolarHBondContact O-CG1 3.3Å; T19-I22 PolarHBondContact O-N 3.12Å; I22-V39 HydrophobicContact CG1-CG2 4.26Å
23	G	94.8	Very high	83.1	Confident	21 Å²	21	68.3 Å²	68.3	22%	0.216	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	-5	-173.1	0	0	0	0	0	114.9	Y21 R35 L36	Y21-G23 PolarHBondContact O-N 3.38Å; Y21-G23 VanDerWaalsContact O-N 3.16Å; G23-R35 PolarHBondContact O-NE 3.43Å; G23-R35 PolarHBondContact O-NH2 2.96Å; G23-R35 VanDerWaalsContact O-NH2 3.16Å; G23-L36 WeakPolarHBondContact CA-O 3.4Å; G23-L36 PolarHBondContact N-O 2.81Å
24	S	95.2	Very high	85.6	Confident	33 Å²	33	62.1 Å²	62.1	23%	0.231	35%	0.353	C	S	.	.	S	Bend	trans	-81.6	151.7	174.3	-58.8	0	0	0	0	112	Y21 L36	Y21-S24 WeakPolarHBondContact O-CB 3.38Å; Y21-S24 PolarHBondContact O-N 3.21Å; Y21-S24 PolarHBondContact O-OG 3.16Å; S24-L36 PolarHBondContact O-N 3.2Å
25	P	96.1	Very high	87.9	Confident	49 Å²	49	65 Å²	65	32%	0.318	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	137.3	171	29.1	-33	0	0	0	110.2	G34 I89	P25-G34 CarbonylContact C-O 3.55Å; P25-G34 WeakPolarHBondContact CA-O 3.35Å; P25-I89 HydrophobicContact CB-CB 4.22Å; P25-I89 HydrophobicContact CB-CD1 4.42Å; P25-I89 HydrophobicContact CG-CB 4.21Å; P25-I89 PolarHBondContact O-N 3.02Å
26	V	96.5	Very high	90.2	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	155.4	-178.4	-62.5	0	0	0	0	110.5	G34 L36 V52 V86 E87 I88	V26-G34 PolarHBondContact N-O 3.13Å; V26-G34 PolarHBondContact O-N 3.11Å; V26-G34 VanDerWaalsContact O-O 3.09Å; V26-L36 HydrophobicContact CG1-CB 3.85Å; V26-L36 HydrophobicContact CG2-CB 4.31Å; V26-V52 HydrophobicContact CG2-CB 4.38Å; V26-V52 HydrophobicContact CG2-CG1 3.54Å; V26-V52 HydrophobicContact CG2-CG2 3.87Å; V26-V86 HydrophobicContact CB-CG1 3.69Å; V26-V86 HydrophobicContact CG1-CG1 3.97Å; V26-V86 HydrophobicContact CG2-CG1 4.01Å; V26-E87 CarbonylContact C-O 3.58Å; V26-E87 VanDerWaalsContact CA-O 3.23Å; V26-E87 WeakPolarHBondContact CA-O 3.07Å; V26-E87 WeakPolarHBondContact CB-O 3.39Å; V26-I88 HydrophobicContact CG1-CG1 4.2Å
27	C	95.6	Very high	92.5	Very high	13 Å²	13	61.6 Å²	61.6	9%	0.088	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.5	171.5	-166.3	0	0	0	0	109.6	G30 K32 E87 I89	C27-G30 WeakPolarHBondContact SG-CA 3.43Å; C27-K32 CarbonylContact C-O 3.12Å; C27-K32 WeakPolarHBondContact CA-O 3.36Å; C27-E87 PolarHBondContact N-O 3.44Å; C27-E87 PolarHBondContact O-N 3.49Å; C27-I89 HydrophobicContact CB-CD1 4.05Å; C27-I89 HydrophobicContact CB-CG1 4.15Å
28	I	95	Very high	93.8	Very high	13 Å²	13	60 Å²	60	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.1	176.7	-50.2	175	0	0	0	108	G30 E31 K32 V52 L54 V79 A81 S85 V86	I28-G30 PolarHBondContact O-N 3.31Å; I28-E31 PolarHBondContact O-N 2.92Å; I28-K32 HydrophobicContact CB-CB 4.28Å; I28-K32 PolarHBondContact N-O 3.41Å; I28-K32 PolarHBondContact O-N 2.77Å; I28-V52 HydrophobicContact CD1-CB 3.87Å; I28-V52 HydrophobicContact CD1-CG1 4.08Å; I28-V52 HydrophobicContact CD1-CG2 3.88Å; I28-V52 HydrophobicContact CG1-CG2 4.27Å; I28-L54 HydrophobicContact CD1-CD2 3.99Å; I28-V79 HydrophobicContact CD1-CG1 3.21Å; I28-A81 HydrophobicContact CD1-CB 4.22Å; I28-A81 HydrophobicContact CG2-CB 3.88Å; I28-S85 WeakPolarHBondContact CA-O 3.49Å; I28-V86 HydrophobicContact CG1-CG2 4.29Å
29	S	91.1	Very high	94.5	Very high	86 Å²	86	59.5 Å²	59.5	60%	0.601	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	25.4	178.9	-52.5	0	0	0	0	114.6	E31 S85	S29-E31 PolarHBondContact O-N 3.2Å; S29-S85 PolarHBondContact N-O 3.07Å
30	G	88.6	Confident	94.8	Very high	53 Å²	53	56.6 Å²	56.6	55%	0.546	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-4.6	179.8	0	0	0	0	0	116	C27 I28	C27-G30 WeakPolarHBondContact SG-CA 3.43Å; I28-G30 PolarHBondContact O-N 3.31Å
31	E	91.6	Very high	95	Very high	164 Å²	164	55.2 Å²	55.2	77%	0.766	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-49.8	-173.9	-65.8	-178.5	172.4	0	0	112.6	I28 S29	I28-E31 PolarHBondContact O-N 2.92Å; S29-E31 PolarHBondContact O-N 3.2Å
32	K	95.2	Very high	95.2	Very high	63 Å²	63	52.1 Å²	52.1	27%	0.274	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	114.8	-171.9	-52.7	-172.9	178.8	-172	0	110.2	C27 I28 L54 I58	C27-K32 CarbonylContact C-O 3.12Å; C27-K32 WeakPolarHBondContact CA-O 3.36Å; I28-K32 HydrophobicContact CB-CB 4.28Å; I28-K32 PolarHBondContact N-O 3.41Å; I28-K32 PolarHBondContact O-N 2.77Å; K32-L54 HydrophobicContact CB-CD2 3.98Å; K32-L54 HydrophobicContact CD-CD1 4.4Å; K32-I58 HydrophobicContact CB-CD1 4.18Å; K32-I58 HydrophobicContact CD-CD1 3.92Å; K32-I58 HydrophobicContact CD-CG1 4.37Å; K32-I58 HydrophobicContact CG-CD1 3.77Å
33	K	96.2	Very high	95.1	Very high	130 Å²	130	51.4 Å²	51.4	57%	0.565	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	148.4	177.1	-64.4	-178.9	-177.3	178	0	111.1	L54 D55	K33-L54 WeakPolarHBondContact O-CA 3.29Å; K33-D55 PolarHBondContact O-N 3.2Å; K33-D55 VanDerWaalsContact O-N 3.15Å
34	G	96.7	Very high	94.9	Very high	4 Å²	4	56.5 Å²	56.5	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	-162.6	177.3	0	0	0	0	0	112.2	P25 V26 E53	P25-G34 CarbonylContact C-O 3.55Å; P25-G34 WeakPolarHBondContact CA-O 3.35Å; V26-G34 PolarHBondContact N-O 3.13Å; V26-G34 PolarHBondContact O-N 3.11Å; V26-G34 VanDerWaalsContact O-O 3.09Å; G34-E53 CarbonylContact C-O 3.59Å; G34-E53 WeakPolarHBondContact CA-O 3.4Å
35	R	97.1	Very high	94.8	Very high	134 Å²	134	61.4 Å²	61.4	51%	0.506	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.6	-176.1	-155.5	171.3	-173.6	-173.1	1	110.6	G23 R37 V52 E53	G23-R35 PolarHBondContact O-NE 3.43Å; G23-R35 PolarHBondContact O-NH2 2.96Å; G23-R35 VanDerWaalsContact O-NH2 3.16Å; R35-R37 PolarHBondContact O-N 3.48Å; R35-V52 WeakPolarHBondContact O-CA 3.38Å; R35-E53 PolarHBondContact N-O 3.4Å; R35-E53 PolarHBondContact O-N 2.97Å
36	L	97.2	Very high	94.7	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	124	178.5	-171.7	60.6	0	0	0	110.1	F18 G23 S24 V26 V39 C50 V52	F18-L36 HydrophobicContact CD1-CD2 4.46Å; G23-L36 WeakPolarHBondContact CA-O 3.4Å; G23-L36 PolarHBondContact N-O 2.81Å; S24-L36 PolarHBondContact O-N 3.2Å; V26-L36 HydrophobicContact CG1-CB 3.85Å; V26-L36 HydrophobicContact CG2-CB 4.31Å; L36-V39 HydrophobicContact CD1-CG2 3.97Å; L36-V39 HydrophobicContact CD2-CG2 3.7Å; L36-V39 HydrophobicContact CG-CG2 4.01Å; L36-C50 HydrophobicContact CD1-CB 3.59Å; L36-V52 HydrophobicContact CD1-CG2 4.2Å
37	R	97.3	Very high	94.5	Very high	100 Å²	100	70.3 Å²	70.3	38%	0.377	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-27.3	-178.2	-56.3	-63.7	-89.7	145.9	5.3	113.2	R35 G51 E53 F71	R35-R37 PolarHBondContact O-N 3.48Å; R37-G51 PolarHBondContact N-O 3.43Å; R37-E53 WeakPolarHBondContact CD-OE2 3.25Å; R37-E53 HydrophobicContact CG-CB 3.57Å; R37-E53 IonicContact CZ-OE2 3.93Å; R37-E53 IonicContact NE-OE2 2.83Å; R37-E53 PolarHBondContact NE-OE2 3.24Å; R37-E53 IonicContact NH2-OE2 3.4Å; R37-F71 HydrophobicContact CB-CB 3.82Å; R37-F71 HydrophobicContact CB-CD1 4.16Å; R37-F71 HydrophobicContact CB-CD2 3.68Å; R37-F71 HydrophobicContact CB-CE2 4.2Å; R37-F71 HydrophobicContact CB-CG 3.64Å; R37-F71 HydrophobicContact CG-CD2 3.87Å; R37-F71 HydrophobicContact CG-CE2 4.23Å; R37-F71 HydrophobicContact CG-CG 4.34Å
38	Y	97.2	Very high	94.5	Very high	30 Å²	30	72 Å²	72	12%	0.118	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144.8	-177.4	176.2	-98	0	0	0	110.8	G40 V41 V42 C50 G51 Y70 F80 M251	Y38-G40 WeakPolarHBondContact OH-CA 3.4Å; Y38-V41 PolarHBondContact OH-N 3.44Å; Y38-V41 PolarHBondContact OH-O 3.32Å; Y38-V42 HydrophobicContact CE1-CG2 4.27Å; Y38-C50 CarbonylContact O-C 3.59Å; Y38-C50 VanDerWaalsContact O-CA 3.31Å; Y38-C50 WeakPolarHBondContact O-CA 3.4Å; Y38-G51 PolarHBondContact N-O 3.38Å; Y38-G51 PolarHBondContact O-N 3.07Å; Y38-Y70 AromaticContact CD1-CD1 3.98Å; Y38-Y70 HydrophobicContact CD1-CD1 3.98Å; Y38-Y70 HydrophobicContact CD2-CD1 4.16Å; Y38-Y70 AromaticContact CE1-CD1 3.59Å; Y38-Y70 HydrophobicContact CE1-CD1 3.59Å; Y38-Y70 HydrophobicContact CE1-CE1 4.04Å; Y38-Y70 AromaticContact CE2-CD1 3.8Å; Y38-Y70 HydrophobicContact CE2-CD1 3.8Å; Y38-Y70 HydrophobicContact CG-CD1 4.25Å; Y38-Y70 AromaticContact CZ-CD1 3.51Å; Y38-Y70 AromaticContact CZ-CE1 3.9Å; Y38-F80 HydrophobicContact CD1-CE1 4.12Å; Y38-M251 HydrophobicContact CE2-CE 4.19Å
39	V	96.6	Very high	94.5	Very high	19 Å²	19	72.7 Å²	72.7	12%	0.115	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	121.3	170.3	-178.7	0	0	0	0	107.4	F18 I22 L36 I48 F49	F18-V39 HydrophobicContact CB-CG1 3.82Å; F18-V39 HydrophobicContact CB-CG2 3.98Å; I22-V39 HydrophobicContact CG1-CG2 4.26Å; L36-V39 HydrophobicContact CD1-CG2 3.97Å; L36-V39 HydrophobicContact CD2-CG2 3.7Å; L36-V39 HydrophobicContact CG-CG2 4.01Å; V39-I48 HydrophobicContact CG1-CG2 4.12Å; V39-F49 WeakPolarHBondContact CA-O 3.44Å
40	G	95.7	Very high	94.8	Very high	12 Å²	12	68.6 Å²	68.6	12%	0.124	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-168.4	-179.9	0	0	0	0	0	114.4	Y38 F49	Y38-G40 WeakPolarHBondContact OH-CA 3.4Å; G40-F49 PolarHBondContact N-O 3.41Å; G40-F49 PolarHBondContact O-N 3.11Å
41	V	95.6	Very high	95.2	Very high	88 Å²	88	66 Å²	66	53%	0.533	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	131.8	177.7	-179.5	0	0	0	0	109.7	Y38 I48	Y38-V41 PolarHBondContact OH-N 3.44Å; Y38-V41 PolarHBondContact OH-O 3.32Å; V41-I48 HydrophobicContact CG2-CD1 3.7Å
42	V	95.1	Very high	95.4	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-100.6	142.4	174.8	175.6	0	0	0	0	109.1	Y38 R45 F49 F65 Y70 F80	Y38-V42 HydrophobicContact CE1-CG2 4.27Å; V42-R45 HydrophobicContact CB-CB 4.15Å; V42-R45 HydrophobicContact CB-CG 4.27Å; V42-R45 HydrophobicContact CG1-CB 4.43Å; V42-R45 HydrophobicContact CG1-CG 4.03Å; V42-R45 PolarHBondContact O-N 3.02Å; V42-F49 HydrophobicContact CB-CD2 4.35Å; V42-F49 HydrophobicContact CG2-CB 3.71Å; V42-F49 HydrophobicContact CG2-CD2 4.36Å; V42-F49 HydrophobicContact CG2-CG 4.15Å; V42-F65 HydrophobicContact CG1-CB 4.34Å; V42-F65 HydrophobicContact CG1-CD1 3.32Å; V42-F65 HydrophobicContact CG1-CE1 3.79Å; V42-F65 HydrophobicContact CG1-CG 3.91Å; V42-Y70 HydrophobicContact CG1-CE2 4.26Å; V42-Y70 HydrophobicContact CG2-CE1 4.26Å; V42-F80 HydrophobicContact CG2-CD1 3.5Å; V42-F80 VanDerWaalsContact CG2-CD1 3.5Å; V42-F80 HydrophobicContact CG2-CE1 3.85Å; V42-F80 HydrophobicContact CG2-CG 4.07Å
43	H	93.2	Very high	95.6	Very high	66 Å²	66	57.7 Å²	57.7	31%	0.306	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	139.3	-179.2	-166.7	52	0	0	0	109.6	R45 F65 R68 Y70	H43-R45 PolarHBondContact O-N 3.42Å; H43-R45 VanDerWaalsContact O-N 3.1Å; H43-F65 VanDerWaalsContact O-CE1 3.3Å; H43-F65 WeakPolarHBondContact O-CE1 3.38Å; H43-R68 PolarHBondContact CE1-NH2 3.08Å; H43-R68 VanDerWaalsContact CE1-NH2 3.3Å; H43-Y70 WeakPolarHBondContact CB-OH 3.41Å; H43-Y70 PolarHBondContact N-OH 3.21Å
44	D	90.4	Very high	95.6	Very high	127 Å²	127	51.6 Å²	51.6	68%	0.679	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	19.4	-176.4	-52.5	-36.5	0	0	0	115.4
45	R	93	Very high	95.6	Very high	136 Å²	136	56.9 Å²	56.9	51%	0.513	28%	0.28	S	S	.	.			trans	-126.9	131.2	173.6	-62.1	-67	-166.4	-175.6	0.3	110.3	V42 H43 F49 F65	V42-R45 HydrophobicContact CB-CB 4.15Å; V42-R45 HydrophobicContact CB-CG 4.27Å; V42-R45 HydrophobicContact CG1-CB 4.43Å; V42-R45 HydrophobicContact CG1-CG 4.03Å; V42-R45 PolarHBondContact O-N 3.02Å; H43-R45 PolarHBondContact O-N 3.42Å; H43-R45 VanDerWaalsContact O-N 3.1Å; R45-F49 HydrophobicContact CB-CD2 4.2Å; R45-F49 HydrophobicContact CB-CE2 3.55Å; R45-F49 HydrophobicContact CB-CZ 3.85Å; R45-F49 HydrophobicContact CG-CE2 4.43Å; R45-F49 HydrophobicContact CG-CZ 4.35Å; R45-F65 HydrophobicContact CG-CE1 3.98Å; R45-F65 HydrophobicContact CG-CZ 4.17Å
46	E	93.5	Very high	95.6	Very high	191 Å²	191	56.5 Å²	56.5	89%	0.893	28%	0.284	S	S	*	.			trans	-82.6	130.8	174.5	-64.5	-178.2	178.6	0	0	110.7	F49	E46-F49 WeakPolarHBondContact O-CE2 3.3Å
47	G	93.3	Very high	95.5	Very high	46 Å²	46	60.7 Å²	60.7	47%	0.474	31%	0.311	S	S	.	.	S	Bend	trans	105.4	-172.7	178	0	0	0	0	0	114.6
48	I	94.4	Very high	95.4	Very high	48 Å²	48	59.4 Å²	59.4	25%	0.246	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.2	177.6	-53	-62.1	0	0	0	109.1	V15 V39 V41 V83	V15-I48 HydrophobicContact CG1-CD1 4.41Å; V15-I48 HydrophobicContact CG1-CG1 4.35Å; V15-I48 HydrophobicContact CG2-CD1 4.5Å; V15-I48 HydrophobicContact CG2-CG1 3.88Å; V39-I48 HydrophobicContact CG1-CG2 4.12Å; V41-I48 HydrophobicContact CG2-CD1 3.7Å; I48-V83 HydrophobicContact CB-CG2 3.85Å; I48-V83 HydrophobicContact CG2-CG2 3.49Å; I48-V83 VanDerWaalsContact CG2-CG2 3.49Å; I48-V83 WeakPolarHBondContact O-CG2 3.23Å; I48-V83 PolarHBondContact O-N 3.26Å
49	F	95.7	Very high	95.3	Very high	27 Å²	27	58.5 Å²	58.5	12%	0.118	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.7	-179.1	-71.1	-100.3	0	0	0	110.8	V39 G40 V42 R45 E46 F80 A81 P82	V39-F49 WeakPolarHBondContact CA-O 3.44Å; G40-F49 PolarHBondContact N-O 3.41Å; G40-F49 PolarHBondContact O-N 3.11Å; V42-F49 HydrophobicContact CB-CD2 4.35Å; V42-F49 HydrophobicContact CG2-CB 3.71Å; V42-F49 HydrophobicContact CG2-CD2 4.36Å; V42-F49 HydrophobicContact CG2-CG 4.15Å; R45-F49 HydrophobicContact CB-CD2 4.2Å; R45-F49 HydrophobicContact CB-CE2 3.55Å; R45-F49 HydrophobicContact CB-CZ 3.85Å; R45-F49 HydrophobicContact CG-CE2 4.43Å; R45-F49 HydrophobicContact CG-CZ 4.35Å; E46-F49 WeakPolarHBondContact O-CE2 3.3Å; F49-F80 HydrophobicContact CD1-CB 4.32Å; F49-A81 CarbonylContact C-O 3.48Å; F49-A81 WeakPolarHBondContact CA-O 3.47Å; F49-P82 HydrophobicContact CD1-CG 4.37Å; F49-P82 HydrophobicContact CE1-CG 3.86Å; F49-P82 HydrophobicContact CZ-CG 4.48Å
50	C	96.5	Very high	95.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.4	167.7	-69.1	0	0	0	0	108.3	L36 Y38 V52 F80 A81 V86	L36-C50 HydrophobicContact CD1-CB 3.59Å; Y38-C50 CarbonylContact O-C 3.59Å; Y38-C50 VanDerWaalsContact O-CA 3.31Å; Y38-C50 WeakPolarHBondContact O-CA 3.4Å; C50-V52 HydrophobicContact CB-CG2 4.23Å; C50-F80 WeakPolarHBondContact O-CA 3.45Å; C50-A81 PolarHBondContact N-O 2.97Å; C50-A81 PolarHBondContact O-N 2.99Å; C50-V86 HydrophobicContact CB-CB 4.35Å; C50-V86 HydrophobicContact CB-CG1 4.46Å; C50-V86 HydrophobicContact CB-CG2 3.7Å
51	G	97	Very high	95.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	114.9	165.4	0	0	0	0	0	109.2	R37 Y38 F71	R37-G51 PolarHBondContact N-O 3.43Å; Y38-G51 PolarHBondContact N-O 3.38Å; Y38-G51 PolarHBondContact O-N 3.07Å; G51-F71 VanDerWaalsContact CA-CE1 3.47Å
52	V	97.6	Very high	95.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.2	-176.6	-176	0	0	0	0	109	V26 I28 R35 L36 C50 L54 A78 V79	V26-V52 HydrophobicContact CG2-CB 4.38Å; V26-V52 HydrophobicContact CG2-CG1 3.54Å; V26-V52 HydrophobicContact CG2-CG2 3.87Å; I28-V52 HydrophobicContact CD1-CB 3.87Å; I28-V52 HydrophobicContact CD1-CG1 4.08Å; I28-V52 HydrophobicContact CD1-CG2 3.88Å; I28-V52 HydrophobicContact CG1-CG2 4.27Å; R35-V52 WeakPolarHBondContact O-CA 3.38Å; L36-V52 HydrophobicContact CD1-CG2 4.2Å; C50-V52 HydrophobicContact CB-CG2 4.23Å; V52-L54 HydrophobicContact CG1-CD2 4.04Å; V52-A78 WeakPolarHBondContact O-CA 3.44Å; V52-V79 HydrophobicContact CB-CG1 4.03Å; V52-V79 PolarHBondContact N-O 3.37Å; V52-V79 PolarHBondContact O-N 3.07Å
53	E	97.8	Very high	95.2	Very high	51 Å²	51	62.3 Å²	62.3	24%	0.238	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	110.9	167.4	166.5	165.8	-144.2	0	0	108.1	G34 R35 R37 F71 T73 H77	G34-E53 CarbonylContact C-O 3.59Å; G34-E53 WeakPolarHBondContact CA-O 3.4Å; R35-E53 PolarHBondContact N-O 3.4Å; R35-E53 PolarHBondContact O-N 2.97Å; R37-E53 WeakPolarHBondContact CD-OE2 3.25Å; R37-E53 HydrophobicContact CG-CB 3.57Å; R37-E53 IonicContact CZ-OE2 3.93Å; R37-E53 IonicContact NE-OE2 2.83Å; R37-E53 PolarHBondContact NE-OE2 3.24Å; R37-E53 IonicContact NH2-OE2 3.4Å; E53-F71 HydrophobicContact CB-CE2 4.29Å; E53-T73 VanDerWaalsContact CD-OG1 3.23Å; E53-T73 WeakPolarHBondContact CG-OG1 3.46Å; E53-T73 VanDerWaalsContact OE1-CB 3.27Å; E53-T73 WeakPolarHBondContact OE1-CB 3.3Å; E53-T73 PolarHBondContact OE1-OG1 3.33Å; E53-H77 CarbonylContact C-O 3.58Å
54	L	97.7	Very high	95.3	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	149.7	-177.9	-59.2	178	0	0	0	110.8	I28 K32 K33 V52 E56 I58 H77 V79	I28-L54 HydrophobicContact CD1-CD2 3.99Å; K32-L54 HydrophobicContact CB-CD2 3.98Å; K32-L54 HydrophobicContact CD-CD1 4.4Å; K33-L54 WeakPolarHBondContact O-CA 3.29Å; V52-L54 HydrophobicContact CG1-CD2 4.04Å; L54-E56 VanDerWaalsContact C-N 3.31Å; L54-E56 WeakPolarHBondContact CB-O 3.36Å; L54-I58 HydrophobicContact CD1-CG1 3.73Å; L54-H77 WeakPolarHBondContact CB-O 3.28Å; L54-H77 WeakPolarHBondContact CG-O 3.38Å; L54-H77 PolarHBondContact N-O 2.87Å; L54-H77 PolarHBondContact O-ND1 2.76Å; L54-V79 HydrophobicContact CD1-CB 4.2Å; L54-V79 HydrophobicContact CD1-CG1 3.87Å; L54-V79 HydrophobicContact CD2-CG1 3.82Å; L54-V79 HydrophobicContact CG-CG1 3.88Å
55	D	96.5	Very high	95.5	Very high	115 Å²	115	57.2 Å²	57.2	62%	0.615	30%	0.295	S	S	*	.	S	Bend	trans	-72.7	-30	177.2	-58.9	-34.3	0	0	0	111.5	K33 H77	K33-D55 PolarHBondContact O-N 3.2Å; K33-D55 VanDerWaalsContact O-N 3.15Å; D55-H77 PolarHBondContact O-CE1 3.15Å
56	E	96.1	Very high	95.5	Very high	125 Å²	125	53.4 Å²	53.4	58%	0.584	29%	0.292	S	S	*	.	S	Bend	trans	-108.9	152.4	178.3	-65.6	-179.7	-176.8	0	0	111.5	L54 I58	L54-E56 VanDerWaalsContact C-N 3.31Å; L54-E56 WeakPolarHBondContact CB-O 3.36Å; E56-I58 HydrophobicContact CB-CD1 4.44Å; E56-I58 HydrophobicContact CB-CG1 4.3Å; E56-I58 HydrophobicContact CB-CG2 4.14Å; E56-I58 PolarHBondContact O-N 3.09Å
57	P	96.2	Very high	95.6	Very high	88 Å²	88	47.9 Å²	47.9	57%	0.571	29%	0.287	S	S	*	.	S	Bend	trans	-76.3	50.6	-178.8	33.1	-37.5	0	0	0	113	C76	P57-C76 CarbonylContact C-O 3.58Å; P57-C76 VanDerWaalsContact CA-O 3.25Å; P57-C76 WeakPolarHBondContact CA-O 3.44Å; P57-C76 HydrophobicContact CB-CB 4.29Å
58	I	95.5	Very high	95.7	Very high	73 Å²	73	52.2 Å²	52.2	37%	0.374	29%	0.289	S	S	.	.			trans	-107.9	11	-177.8	65.3	175.9	0	0	0	112.7	K32 L54 E56 C76	K32-I58 HydrophobicContact CB-CD1 4.18Å; K32-I58 HydrophobicContact CD-CD1 3.92Å; K32-I58 HydrophobicContact CD-CG1 4.37Å; K32-I58 HydrophobicContact CG-CD1 3.77Å; L54-I58 HydrophobicContact CD1-CG1 3.73Å; E56-I58 HydrophobicContact CB-CD1 4.44Å; E56-I58 HydrophobicContact CB-CG1 4.3Å; E56-I58 HydrophobicContact CB-CG2 4.14Å; E56-I58 PolarHBondContact O-N 3.09Å; I58-C76 PolarHBondContact N-O 3.27Å
59	G	94.9	Very high	95.8	Very high	12 Å²	12	56 Å²	56	12%	0.124	30%	0.3	C	S	.	.	S	Bend	trans	-84.4	-176.1	174.7	0	0	0	0	0	112.6	C76 A78	G59-C76 CarbonylContact C-O 3.37Å; G59-C76 WeakPolarHBondContact CA-O 3.38Å; G59-C76 PolarHBondContact N-O 2.86Å; G59-A78 CarbonylContact C-O 3.47Å; G59-A78 WeakPolarHBondContact CA-O 3.49Å
60	H	93.3	Very high	95.9	Very high	138 Å²	138	56.9 Å²	56.9	64%	0.639	30%	0.303	S	S	*	.	S	Bend	trans	-116.5	-16.6	-173.8	-59.7	81.1	0	0	0	113.1	A78	H60-A78 PolarHBondContact N-O 2.89Å
61	H	94.1	Very high	95.9	Very high	20 Å²	20	57.7 Å²	57.7	9%	0.093	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-141.5	178.1	-175	45.6	97	0	0	0	111.3	G63 C64 C76 H77 A78 V79 F80	H61-G63 PolarHBondContact ND1-N 2.99Å; H61-C64 VanDerWaalsContact CB-O 3.25Å; H61-C64 WeakPolarHBondContact CB-O 3.35Å; H61-C76 PolarHBondContact O-N 3Å; H61-H77 PolarHBondContact O-N 2.99Å; H61-A78 HydrophobicContact CB-CB 4.46Å; H61-A78 PolarHBondContact CD2-O 3.13Å; H61-A78 VanDerWaalsContact CD2-O 3.3Å; H61-A78 WeakPolarHBondContact CE1-CB 3.47Å; H61-A78 PolarHBondContact CE1-O 3.47Å; H61-A78 PolarHBondContact N-O 3.23Å; H61-A78 WeakPolarHBondContact ND1-CB 3.44Å; H61-A78 PolarHBondContact NE2-O 3.32Å; H61-A78 WeakPolarHBondContact O-CA 3.42Å; H61-A78 VanDerWaalsContact O-CB 3.27Å; H61-A78 WeakPolarHBondContact O-CB 3.47Å; H61-A78 PolarHBondContact O-N 3.21Å; H61-V79 VanDerWaalsContact CE1-C 3.43Å; H61-V79 VanDerWaalsContact CE1-CA 3.42Å; H61-V79 WeakPolarHBondContact CE1-CA 3.38Å; H61-V79 PolarHBondContact CE1-N 3.1Å; H61-V79 VanDerWaalsContact NE2-C 3.26Å; H61-V79 WeakPolarHBondContact NE2-CA 3.39Å; H61-V79 PolarHBondContact NE2-N 3.32Å; H61-F80 AromaticContact CD2-CD2 3.94Å; H61-F80 AromaticContact CE1-CD2 3.04Å; H61-F80 WeakPolarHBondContact CE1-CD2 3.47Å; H61-F80 AromaticContact CE1-CE2 2.98Å; H61-F80 WeakPolarHBondContact CE1-CE2 3.5Å; H61-F80 AromaticContact CE1-CG 3.91Å; H61-F80 AromaticContact CE1-CZ 3.88Å; H61-F80 AromaticContact ND1-CD2 3.83Å; H61-F80 AromaticContact ND1-CE2 3.37Å; H61-F80 WeakPolarHBondContact ND1-CE2 3.27Å; H61-F80 AromaticContact NE2-CD2 3.07Å; H61-F80 WeakPolarHBondContact NE2-CD2 3.36Å; H61-F80 AromaticContact NE2-CE2 3.5Å; H61-F80 WeakPolarHBondContact NE2-CE2 3.42Å; H61-F80 AromaticContact NE2-CG 3.94Å; H61-F80 PolarHBondContact NE2-N 3.25Å; H61-F80 VanDerWaalsContact NE2-N 3.11Å
62	D	96.9	Very high	95.9	Very high	43 Å²	43	63 Å²	63	23%	0.23	33%	0.331	C	S	.	.	S	Bend	trans	-102.5	12.8	173.7	71.6	-34	0	0	0	112.1	C64 R69 T73	D62-C64 WeakPolarHBondContact OD1-CB 3.32Å; D62-C64 PolarHBondContact OD1-N 3.38Å; D62-R69 PolarHBondContact O-NH1 3.03Å; D62-R69 IonicContact OD1-NH1 2.99Å; D62-R69 IonicContact OD2-CZ 2.77Å; D62-R69 IonicContact OD2-NH1 2.8Å; D62-R69 PolarHBondContact OD2-NH1 3.43Å; D62-R69 IonicContact OD2-NH2 2.76Å; D62-R69 PolarHBondContact OD2-NH2 3.35Å; D62-T73 WeakPolarHBondContact O-CG2 3.28Å; D62-T73 PolarHBondContact O-N 3.18Å
63	G	95.2	Very high	95.9	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	99.2	-0.8	-172.5	0	0	0	0	0	114.1	H61 Y70 F71	H61-G63 PolarHBondContact ND1-N 2.99Å; G63-Y70 PolarHBondContact O-N 2.87Å; G63-F71 CarbonylContact C-O 3.54Å; G63-F71 VanDerWaalsContact CA-O 3.31Å; G63-F71 WeakPolarHBondContact CA-O 3.29Å; G63-F71 PolarHBondContact O-N 3.33Å
64	C	96.8	Very high	95.8	Very high	36 Å²	36	63.5 Å²	63.5	24%	0.243	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.4	166.7	-168.3	0	0	0	0	111.7	H61 D62 R68	H61-C64 VanDerWaalsContact CB-O 3.25Å; H61-C64 WeakPolarHBondContact CB-O 3.35Å; D62-C64 WeakPolarHBondContact OD1-CB 3.32Å; D62-C64 PolarHBondContact OD1-N 3.38Å; C64-R68 CarbonylContact C-O 3.59Å; C64-R68 WeakPolarHBondContact CA-O 3.33Å; C64-R68 PolarHBondContact SG-O 3.25Å
65	F	94.4	Very high	95.7	Very high	49 Å²	49	68.2 Å²	68.2	22%	0.215	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132	173.1	-173.6	-89.9	0	0	0	110.1	V42 H43 R45 G67 R68 Y70 F80	V42-F65 HydrophobicContact CG1-CB 4.34Å; V42-F65 HydrophobicContact CG1-CD1 3.32Å; V42-F65 HydrophobicContact CG1-CE1 3.79Å; V42-F65 HydrophobicContact CG1-CG 3.91Å; H43-F65 VanDerWaalsContact O-CE1 3.3Å; H43-F65 WeakPolarHBondContact O-CE1 3.38Å; R45-F65 HydrophobicContact CG-CE1 3.98Å; R45-F65 HydrophobicContact CG-CZ 4.17Å; F65-G67 PolarHBondContact O-N 2.89Å; F65-R68 PolarHBondContact N-O 3.36Å; F65-R68 PolarHBondContact O-N 2.86Å; F65-Y70 HydrophobicContact CB-CD2 4.27Å; F65-Y70 HydrophobicContact CB-CE2 3.95Å; F65-F80 HydrophobicContact CB-CD2 3.9Å; F65-F80 HydrophobicContact CB-CE2 3.45Å; F65-F80 VanDerWaalsContact CB-CE2 3.45Å; F65-F80 HydrophobicContact CB-CZ 4.21Å; F65-F80 HydrophobicContact CD2-CD2 4.03Å; F65-F80 HydrophobicContact CD2-CE2 4.4Å; F65-F80 HydrophobicContact CG-CD2 4.13Å; F65-F80 HydrophobicContact CG-CE2 4.19Å
66	A	93.2	Very high	95.7	Very high	56 Å²	56	65.7 Å²	65.7	46%	0.463	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	42	-177.3	0	0	0	0	0	113.5	R68	A66-R68 PolarHBondContact O-N 2.88Å
67	G	94	Very high	95.8	Very high	75 Å²	75	61.6 Å²	61.6	77%	0.773	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	2	-179.1	0	0	0	0	0	115.3	F65	F65-G67 PolarHBondContact O-N 2.89Å
68	R	96.3	Very high	95.8	Very high	137 Å²	137	57.4 Å²	57.4	52%	0.517	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.6	176.8	-60.6	-170.8	-171.7	-143.3	-1.2	111.1	H43 C64 F65 A66 Y70	H43-R68 PolarHBondContact CE1-NH2 3.08Å; H43-R68 VanDerWaalsContact CE1-NH2 3.3Å; C64-R68 CarbonylContact C-O 3.59Å; C64-R68 WeakPolarHBondContact CA-O 3.33Å; C64-R68 PolarHBondContact SG-O 3.25Å; F65-R68 PolarHBondContact N-O 3.36Å; F65-R68 PolarHBondContact O-N 2.86Å; A66-R68 PolarHBondContact O-N 2.88Å; R68-Y70 HydrophobicContact CB-CE2 3.93Å; R68-Y70 VanDerWaalsContact O-CD2 3.28Å; R68-Y70 WeakPolarHBondContact O-CD2 3.39Å; R68-Y70 WeakPolarHBondContact O-CE2 3.45Å
69	R	97.3	Very high	95.9	Very high	128 Å²	128	54.7 Å²	54.7	48%	0.483	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124	175.9	-172.8	167.1	-65	-72.7	1.3	110.7	D62 F71 Q72	D62-R69 PolarHBondContact O-NH1 3.03Å; D62-R69 IonicContact OD1-NH1 2.99Å; D62-R69 IonicContact OD2-CZ 2.77Å; D62-R69 IonicContact OD2-NH1 2.8Å; D62-R69 PolarHBondContact OD2-NH1 3.43Å; D62-R69 IonicContact OD2-NH2 2.76Å; D62-R69 PolarHBondContact OD2-NH2 3.35Å; R69-F71 WeakPolarHBondContact CG-O 3.45Å; R69-Q72 VanDerWaalsContact CZ-OE1 3.24Å
70	Y	97.1	Very high	96	Very high	46 Å²	46	55.4 Å²	55.4	18%	0.18	30%	0.304	C	S	.	.	S	Bend	trans	-102.9	-37.1	177.3	-66.2	-93	0	0	0	111.9	Y38 V42 H43 G63 F65 R68 F80	Y38-Y70 AromaticContact CD1-CD1 3.98Å; Y38-Y70 HydrophobicContact CD1-CD1 3.98Å; Y38-Y70 HydrophobicContact CD2-CD1 4.16Å; Y38-Y70 AromaticContact CE1-CD1 3.59Å; Y38-Y70 HydrophobicContact CE1-CD1 3.59Å; Y38-Y70 HydrophobicContact CE1-CE1 4.04Å; Y38-Y70 AromaticContact CE2-CD1 3.8Å; Y38-Y70 HydrophobicContact CE2-CD1 3.8Å; Y38-Y70 HydrophobicContact CG-CD1 4.25Å; Y38-Y70 AromaticContact CZ-CD1 3.51Å; Y38-Y70 AromaticContact CZ-CE1 3.9Å; V42-Y70 HydrophobicContact CG1-CE2 4.26Å; V42-Y70 HydrophobicContact CG2-CE1 4.26Å; H43-Y70 WeakPolarHBondContact CB-OH 3.41Å; H43-Y70 PolarHBondContact N-OH 3.21Å; G63-Y70 PolarHBondContact O-N 2.87Å; F65-Y70 HydrophobicContact CB-CD2 4.27Å; F65-Y70 HydrophobicContact CB-CE2 3.95Å; R68-Y70 HydrophobicContact CB-CE2 3.93Å; R68-Y70 VanDerWaalsContact O-CD2 3.28Å; R68-Y70 WeakPolarHBondContact O-CD2 3.39Å; R68-Y70 WeakPolarHBondContact O-CE2 3.45Å; Y70-F80 HydrophobicContact CD1-CE1 4.28Å; Y70-F80 HydrophobicContact CD1-CZ 4.49Å; Y70-F80 AromaticContact CD2-CE1 3.97Å; Y70-F80 HydrophobicContact CD2-CE1 3.97Å; Y70-F80 HydrophobicContact CD2-CE2 4.19Å; Y70-F80 AromaticContact CD2-CZ 3.39Å; Y70-F80 HydrophobicContact CD2-CZ 3.39Å; Y70-F80 HydrophobicContact CE2-CZ 4.2Å; Y70-F80 AromaticContact CG-CE1 3.77Å; Y70-F80 HydrophobicContact CG-CE1 3.77Å; Y70-F80 AromaticContact CG-CZ 3.59Å; Y70-F80 HydrophobicContact CG-CZ 3.59Å
71	F	97.3	Very high	96.1	Very high	17 Å²	17	49.1 Å²	49.1	8%	0.075	28%	0.276	C	S	.	.			trans	-153.3	170.2	174.5	55.6	-79.7	0	0	0	109.5	R37 G51 E53 G63 R69 T73 A78 F80	R37-F71 HydrophobicContact CB-CB 3.82Å; R37-F71 HydrophobicContact CB-CD1 4.16Å; R37-F71 HydrophobicContact CB-CD2 3.68Å; R37-F71 HydrophobicContact CB-CE2 4.2Å; R37-F71 HydrophobicContact CB-CG 3.64Å; R37-F71 HydrophobicContact CG-CD2 3.87Å; R37-F71 HydrophobicContact CG-CE2 4.23Å; R37-F71 HydrophobicContact CG-CG 4.34Å; G51-F71 VanDerWaalsContact CA-CE1 3.47Å; E53-F71 HydrophobicContact CB-CE2 4.29Å; G63-F71 CarbonylContact C-O 3.54Å; G63-F71 VanDerWaalsContact CA-O 3.31Å; G63-F71 WeakPolarHBondContact CA-O 3.29Å; G63-F71 PolarHBondContact O-N 3.33Å; R69-F71 WeakPolarHBondContact CG-O 3.45Å; F71-T73 HydrophobicContact CD2-CG2 4.17Å; F71-T73 HydrophobicContact CE2-CG2 3.91Å; F71-A78 HydrophobicContact CE2-CB 3.51Å; F71-A78 HydrophobicContact CZ-CB 3.5Å; F71-F80 HydrophobicContact CD1-CE1 4.46Å; F71-F80 HydrophobicContact CD1-CZ 4.35Å; F71-F80 AromaticContact CE1-CE1 3.78Å; F71-F80 HydrophobicContact CE1-CE1 3.78Å; F71-F80 HydrophobicContact CE1-CE2 4.48Å; F71-F80 AromaticContact CE1-CZ 3.69Å; F71-F80 HydrophobicContact CE1-CZ 3.69Å
72	Q	96.9	Very high	96.1	Very high	110 Å²	110	51.2 Å²	51.2	51%	0.514	29%	0.292	S	S	.	.			trans	-111.6	131	176.8	-174.2	64.7	50.8	0	0	109.4	R69	R69-Q72 VanDerWaalsContact CZ-OE1 3.24Å
73	T	96.1	Very high	96	Very high	14 Å²	14	50 Å²	50	9%	0.086	29%	0.286	C	S	.	.			trans	-153.1	-179.1	171.1	-177.4	0	0	0	0	110	E53 D62 F71 H77 A78	E53-T73 VanDerWaalsContact CD-OG1 3.23Å; E53-T73 WeakPolarHBondContact CG-OG1 3.46Å; E53-T73 VanDerWaalsContact OE1-CB 3.27Å; E53-T73 WeakPolarHBondContact OE1-CB 3.3Å; E53-T73 PolarHBondContact OE1-OG1 3.33Å; D62-T73 WeakPolarHBondContact O-CG2 3.28Å; D62-T73 PolarHBondContact O-N 3.18Å; F71-T73 HydrophobicContact CD2-CG2 4.17Å; F71-T73 HydrophobicContact CE2-CG2 3.91Å; T73-H77 HydrophobicContact CG2-CB 4.17Å; T73-H77 WeakPolarHBondContact OG1-CB 3.49Å; T73-A78 HydrophobicContact CG2-CB 3.56Å
74	A	96.3	Very high	95.9	Very high	48 Å²	48	57.5 Å²	57.5	40%	0.397	33%	0.326	S	S	.	.			trans	-66.7	155.1	173.9	0	0	0	0	0	111.6	C76 H77	A74-C76 PolarHBondContact O-N 3.48Å; A74-H77 HydrophobicContact CB-CB 4.35Å; A74-H77 WeakPolarHBondContact O-CB 3.33Å; A74-H77 PolarHBondContact O-N 3.19Å; A74-H77 VanDerWaalsContact O-N 3.15Å
75	P	95.8	Very high	95.7	Very high	102 Å²	102	57.2 Å²	57.2	66%	0.662	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	138.9	174.8	-23.6	33.9	0	0	0	111.4	H77	P75-H77 PolarHBondContact O-CD2 3.14Å; P75-H77 PolarHBondContact O-N 3.34Å
76	C	96	Very high	95.7	Very high	63 Å²	63	55.2 Å²	55.2	43%	0.426	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	15	-178.2	-55.5	0	0	0	0	114.9	P57 I58 G59 H61 A74	P57-C76 CarbonylContact C-O 3.58Å; P57-C76 VanDerWaalsContact CA-O 3.25Å; P57-C76 WeakPolarHBondContact CA-O 3.44Å; P57-C76 HydrophobicContact CB-CB 4.29Å; I58-C76 PolarHBondContact N-O 3.27Å; G59-C76 CarbonylContact C-O 3.37Å; G59-C76 WeakPolarHBondContact CA-O 3.38Å; G59-C76 PolarHBondContact N-O 2.86Å; H61-C76 PolarHBondContact O-N 3Å; A74-C76 PolarHBondContact O-N 3.48Å
77	H	97.7	Very high	95.8	Very high	39 Å²	39	58.6 Å²	58.6	18%	0.181	32%	0.322	C	S	.	.			trans	-99.3	-11.7	172.8	-80.7	-100.9	0	0	0	113.5	E53 L54 D55 H61 T73 A74 P75	E53-H77 CarbonylContact C-O 3.58Å; L54-H77 WeakPolarHBondContact CB-O 3.28Å; L54-H77 WeakPolarHBondContact CG-O 3.38Å; L54-H77 PolarHBondContact N-O 2.87Å; L54-H77 PolarHBondContact O-ND1 2.76Å; D55-H77 PolarHBondContact O-CE1 3.15Å; H61-H77 PolarHBondContact O-N 2.99Å; T73-H77 HydrophobicContact CG2-CB 4.17Å; T73-H77 WeakPolarHBondContact OG1-CB 3.49Å; A74-H77 HydrophobicContact CB-CB 4.35Å; A74-H77 WeakPolarHBondContact O-CB 3.33Å; A74-H77 PolarHBondContact O-N 3.19Å; A74-H77 VanDerWaalsContact O-N 3.15Å; P75-H77 PolarHBondContact O-CD2 3.14Å; P75-H77 PolarHBondContact O-N 3.34Å
78	A	97.2	Very high	95.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	142.9	-178.4	0	0	0	0	0	113.1	V52 G59 H60 H61 F71 T73	V52-A78 WeakPolarHBondContact O-CA 3.44Å; G59-A78 CarbonylContact C-O 3.47Å; G59-A78 WeakPolarHBondContact CA-O 3.49Å; H60-A78 PolarHBondContact N-O 2.89Å; H61-A78 HydrophobicContact CB-CB 4.46Å; H61-A78 PolarHBondContact CD2-O 3.13Å; H61-A78 VanDerWaalsContact CD2-O 3.3Å; H61-A78 WeakPolarHBondContact CE1-CB 3.47Å; H61-A78 PolarHBondContact CE1-O 3.47Å; H61-A78 PolarHBondContact N-O 3.23Å; H61-A78 WeakPolarHBondContact ND1-CB 3.44Å; H61-A78 PolarHBondContact NE2-O 3.32Å; H61-A78 WeakPolarHBondContact O-CA 3.42Å; H61-A78 VanDerWaalsContact O-CB 3.27Å; H61-A78 WeakPolarHBondContact O-CB 3.47Å; H61-A78 PolarHBondContact O-N 3.21Å; F71-A78 HydrophobicContact CE2-CB 3.51Å; F71-A78 HydrophobicContact CZ-CB 3.5Å; T73-A78 HydrophobicContact CG2-CB 3.56Å
79	V	97	Very high	95.5	Very high	15 Å²	15	53.4 Å²	53.4	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.3	169.7	66.3	0	0	0	0	110.9	I28 V52 L54 H61	I28-V79 HydrophobicContact CD1-CG1 3.21Å; V52-V79 HydrophobicContact CB-CG1 4.03Å; V52-V79 PolarHBondContact N-O 3.37Å; V52-V79 PolarHBondContact O-N 3.07Å; L54-V79 HydrophobicContact CD1-CB 4.2Å; L54-V79 HydrophobicContact CD1-CG1 3.87Å; L54-V79 HydrophobicContact CD2-CG1 3.82Å; L54-V79 HydrophobicContact CG-CG1 3.88Å; H61-V79 VanDerWaalsContact CE1-C 3.43Å; H61-V79 VanDerWaalsContact CE1-CA 3.42Å; H61-V79 WeakPolarHBondContact CE1-CA 3.38Å; H61-V79 PolarHBondContact CE1-N 3.1Å; H61-V79 VanDerWaalsContact NE2-C 3.26Å; H61-V79 WeakPolarHBondContact NE2-CA 3.39Å; H61-V79 PolarHBondContact NE2-N 3.32Å
80	F	96.8	Very high	94.8	Very high	27 Å²	27	54 Å²	54	12%	0.118	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.8	166.6	-68.2	-78	0	0	0	109.3	Y38 V42 F49 C50 H61 F65 Y70 F71	Y38-F80 HydrophobicContact CD1-CE1 4.12Å; V42-F80 HydrophobicContact CG2-CD1 3.5Å; V42-F80 VanDerWaalsContact CG2-CD1 3.5Å; V42-F80 HydrophobicContact CG2-CE1 3.85Å; V42-F80 HydrophobicContact CG2-CG 4.07Å; F49-F80 HydrophobicContact CD1-CB 4.32Å; C50-F80 WeakPolarHBondContact O-CA 3.45Å; H61-F80 AromaticContact CD2-CD2 3.94Å; H61-F80 AromaticContact CE1-CD2 3.04Å; H61-F80 WeakPolarHBondContact CE1-CD2 3.47Å; H61-F80 AromaticContact CE1-CE2 2.98Å; H61-F80 WeakPolarHBondContact CE1-CE2 3.5Å; H61-F80 AromaticContact CE1-CG 3.91Å; H61-F80 AromaticContact CE1-CZ 3.88Å; H61-F80 AromaticContact ND1-CD2 3.83Å; H61-F80 AromaticContact ND1-CE2 3.37Å; H61-F80 WeakPolarHBondContact ND1-CE2 3.27Å; H61-F80 AromaticContact NE2-CD2 3.07Å; H61-F80 WeakPolarHBondContact NE2-CD2 3.36Å; H61-F80 AromaticContact NE2-CE2 3.5Å; H61-F80 WeakPolarHBondContact NE2-CE2 3.42Å; H61-F80 AromaticContact NE2-CG 3.94Å; H61-F80 PolarHBondContact NE2-N 3.25Å; H61-F80 VanDerWaalsContact NE2-N 3.11Å; F65-F80 HydrophobicContact CB-CD2 3.9Å; F65-F80 HydrophobicContact CB-CE2 3.45Å; F65-F80 VanDerWaalsContact CB-CE2 3.45Å; F65-F80 HydrophobicContact CB-CZ 4.21Å; F65-F80 HydrophobicContact CD2-CD2 4.03Å; F65-F80 HydrophobicContact CD2-CE2 4.4Å; F65-F80 HydrophobicContact CG-CD2 4.13Å; F65-F80 HydrophobicContact CG-CE2 4.19Å; Y70-F80 HydrophobicContact CD1-CE1 4.28Å; Y70-F80 HydrophobicContact CD1-CZ 4.49Å; Y70-F80 AromaticContact CD2-CE1 3.97Å; Y70-F80 HydrophobicContact CD2-CE1 3.97Å; Y70-F80 HydrophobicContact CD2-CE2 4.19Å; Y70-F80 AromaticContact CD2-CZ 3.39Å; Y70-F80 HydrophobicContact CD2-CZ 3.39Å; Y70-F80 HydrophobicContact CE2-CZ 4.2Å; Y70-F80 AromaticContact CG-CE1 3.77Å; Y70-F80 HydrophobicContact CG-CE1 3.77Å; Y70-F80 AromaticContact CG-CZ 3.59Å; Y70-F80 HydrophobicContact CG-CZ 3.59Å; F71-F80 HydrophobicContact CD1-CE1 4.46Å; F71-F80 HydrophobicContact CD1-CZ 4.35Å; F71-F80 AromaticContact CE1-CE1 3.78Å; F71-F80 HydrophobicContact CE1-CE1 3.78Å; F71-F80 HydrophobicContact CE1-CE2 4.48Å; F71-F80 AromaticContact CE1-CZ 3.69Å; F71-F80 HydrophobicContact CE1-CZ 3.69Å
81	A	95.7	Very high	93.7	Very high	6 Å²	6	59.4 Å²	59.4	5%	0.05	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.2	-178.9	0	0	0	0	0	110.2	I28 F49 C50 S85 V86	I28-A81 HydrophobicContact CD1-CB 4.22Å; I28-A81 HydrophobicContact CG2-CB 3.88Å; F49-A81 CarbonylContact C-O 3.48Å; F49-A81 WeakPolarHBondContact CA-O 3.47Å; C50-A81 PolarHBondContact N-O 2.97Å; C50-A81 PolarHBondContact O-N 2.99Å; A81-S85 WeakPolarHBondContact CB-OG 3.38Å; A81-V86 HydrophobicContact CB-CG2 3.9Å
82	P	95.1	Very high	91.6	Very high	65 Å²	65	68.1 Å²	68.1	42%	0.422	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	144.2	174.2	-23.3	32.1	0	0	0	110.8	F49 N84 S85	F49-P82 HydrophobicContact CD1-CG 4.37Å; F49-P82 HydrophobicContact CE1-CG 3.86Å; F49-P82 HydrophobicContact CZ-CG 4.48Å; P82-N84 PolarHBondContact O-N 2.98Å; P82-S85 WeakPolarHBondContact CD-OG 3.5Å; P82-S85 PolarHBondContact O-N 3.11Å; P82-S85 PolarHBondContact O-OG 3.2Å
83	V	93.7	Very high	89.2	Confident	18 Å²	18	72.4 Å²	72.4	11%	0.109	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-50.7	-37.2	-178.3	174.5	0	0	0	0	112.5	F18 I48 S85 V86	F18-V83 HydrophobicContact CD1-CG1 4.41Å; F18-V83 HydrophobicContact CD2-CG1 3.3Å; F18-V83 HydrophobicContact CE1-CG1 4.35Å; F18-V83 HydrophobicContact CE2-CG1 3.23Å; F18-V83 HydrophobicContact CG-CG1 3.91Å; F18-V83 HydrophobicContact CZ-CG1 3.78Å; I48-V83 HydrophobicContact CB-CG2 3.85Å; I48-V83 HydrophobicContact CG2-CG2 3.49Å; I48-V83 VanDerWaalsContact CG2-CG2 3.49Å; I48-V83 WeakPolarHBondContact O-CG2 3.23Å; I48-V83 PolarHBondContact O-N 3.26Å; V83-S85 PolarHBondContact O-N 3.37Å; V83-S85 VanDerWaalsContact O-N 3.14Å; V83-V86 PolarHBondContact O-N 3.09Å
84	N	92.5	Very high	86.4	Confident	157 Å²	157	75 Å²	75	84%	0.84	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-67.4	-11.9	-179.8	-61.1	-8.1	0	0	0	114.7	P82	P82-N84 PolarHBondContact O-N 2.98Å
85	S	93.3	Very high	83.6	Confident	29 Å²	29	75.3 Å²	75.3	20%	0.203	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-101.8	-1.4	179.9	66.5	0	0	0	0	113.4	I28 S29 A81 P82 V83	I28-S85 WeakPolarHBondContact CA-O 3.49Å; S29-S85 PolarHBondContact N-O 3.07Å; A81-S85 WeakPolarHBondContact CB-OG 3.38Å; P82-S85 WeakPolarHBondContact CD-OG 3.5Å; P82-S85 PolarHBondContact O-N 3.11Å; P82-S85 PolarHBondContact O-OG 3.2Å; V83-S85 PolarHBondContact O-N 3.37Å; V83-S85 VanDerWaalsContact O-N 3.14Å
86	V	94.9	Very high	81	Confident	7 Å²	7	76.5 Å²	76.5	4%	0.042	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.2	-176.3	-176.2	0	0	0	0	110.1	V26 I28 C50 A81 V83	V26-V86 HydrophobicContact CB-CG1 3.69Å; V26-V86 HydrophobicContact CG1-CG1 3.97Å; V26-V86 HydrophobicContact CG2-CG1 4.01Å; I28-V86 HydrophobicContact CG1-CG2 4.29Å; C50-V86 HydrophobicContact CB-CB 4.35Å; C50-V86 HydrophobicContact CB-CG1 4.46Å; C50-V86 HydrophobicContact CB-CG2 3.7Å; A81-V86 HydrophobicContact CB-CG2 3.9Å; V83-V86 PolarHBondContact O-N 3.09Å
87	E	94.5	Very high	78.4	Confident	128 Å²	128	82.3 Å²	82.3	60%	0.598	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.3	177	-63.5	-179.4	-177.8	0	0	109.6	V26 C27	V26-E87 CarbonylContact C-O 3.58Å; V26-E87 VanDerWaalsContact CA-O 3.23Å; V26-E87 WeakPolarHBondContact CA-O 3.07Å; V26-E87 WeakPolarHBondContact CB-O 3.39Å; C27-E87 PolarHBondContact N-O 3.44Å; C27-E87 PolarHBondContact O-N 3.49Å
88	I	93.2	Very high	75.4	Confident	44 Å²	44	85.9 Å²	85.9	23%	0.226	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.3	177.2	-62.6	151.9	0	0	0	109.1	F18 Y21 V26 L90	F18-I88 HydrophobicContact CD1-CD1 4.07Å; F18-I88 HydrophobicContact CD1-CG1 4.42Å; F18-I88 HydrophobicContact CE1-CD1 3.85Å; F18-I88 HydrophobicContact CE1-CG1 4.05Å; F18-I88 HydrophobicContact CZ-CD1 4.46Å; Y21-I88 HydrophobicContact CD1-CD1 3.75Å; Y21-I88 HydrophobicContact CD1-CG1 4.33Å; Y21-I88 HydrophobicContact CD1-CG2 3.83Å; Y21-I88 HydrophobicContact CD2-CD1 3.29Å; Y21-I88 HydrophobicContact CD2-CG1 4.4Å; Y21-I88 HydrophobicContact CE1-CD1 4.04Å; Y21-I88 HydrophobicContact CE1-CG2 4.28Å; Y21-I88 HydrophobicContact CE2-CD1 3.62Å; Y21-I88 HydrophobicContact CG-CD1 3.37Å; Y21-I88 HydrophobicContact CG-CG1 4.07Å; Y21-I88 HydrophobicContact CG-CG2 4.37Å; V26-I88 HydrophobicContact CG1-CG1 4.2Å; I88-L90 HydrophobicContact CG2-CD2 4.09Å; I88-L90 PolarHBondContact O-N 2.86Å
89	I	91	Very high	72.3	Confident	58 Å²	58	91.8 Å²	91.8	30%	0.297	52%	0.518	S	S	.	.			trans	-83.9	101.9	176.9	-56.2	172.7	0	0	0	107.3	P25 C27 E91	P25-I89 HydrophobicContact CB-CB 4.22Å; P25-I89 HydrophobicContact CB-CD1 4.42Å; P25-I89 HydrophobicContact CG-CB 4.21Å; P25-I89 PolarHBondContact O-N 3.02Å; C27-I89 HydrophobicContact CB-CD1 4.05Å; C27-I89 HydrophobicContact CB-CG1 4.15Å; I89-E91 HydrophobicContact CG2-CG 4.29Å; I89-E91 PolarHBondContact O-N 3.45Å
90	L	82.8	Confident	69.6	Low	142 Å²	142	97.7 Å²	97.7	74%	0.743	55%	0.554	S	S	*	*			trans	-83.6	97.8	169.2	-61.5	177.7	0	0	0	107.9	I88 K92	I88-L90 HydrophobicContact CG2-CD2 4.09Å; I88-L90 PolarHBondContact O-N 2.86Å; L90-K92 PolarHBondContact O-N 3.29Å
91	E	74.6	Confident	66.6	Low	159 Å²	159	104.1 Å²	104.1	74%	0.743	59%	0.589	S	S	*	*			trans	-63	102.8	168.7	-65.7	-174.3	176.9	0	0	107.9	I89 E93	I89-E91 HydrophobicContact CG2-CG 4.29Å; I89-E91 PolarHBondContact O-N 3.45Å; E91-E93 PolarHBondContact O-N 2.91Å
92	K	52.9	Low	63.4	Low	199 Å²	199	107.4 Å²	107.4	87%	0.865	62%	0.615	S	S	*	*			trans	-66.2	115.3	168.9	-173.8	-178.4	-178.1	-176.4	0	105.1	L90 G94	L90-K92 PolarHBondContact O-N 3.29Å; K92-G94 PolarHBondContact O-N 3.45Å
93	E	46	Very low	60.2	Low	201 Å²	201	110.5 Å²	110.5	94%	0.939	63%	0.633	S	S	*	*			trans	-51.7	94.1	176.3	-67.3	-153.8	169.5	0	0	110	E91	E91-E93 PolarHBondContact O-N 2.91Å
94	G	37.8	Very low	57.6	Low	67 Å²	67	115.7 Å²	115.7	69%	0.691	67%	0.665	S	S	*	*			trans	-102.6	111.2	168.5	0	0	0	0	0	104.4	K92	K92-G94 PolarHBondContact O-N 3.45Å
95	G	37.6	Very low	54.9	Low	56 Å²	56	115.7 Å²	115.7	58%	0.577	66%	0.66	S	S	*	*			trans	-53	170.6	173.8	0	0	0	0	0	112.6	E97	G95-E97 VanDerWaalsContact C-N 3.3Å; G95-E97 PolarHBondContact O-N 3.45Å
96	P	41.1	Very low	52.1	Low	127 Å²	127	121.1 Å²	121.1	83%	0.825	68%	0.682	S	S	*	*	S	Bend	trans	-72.7	82.5	-169.7	32.9	-34.4	0	0	0	110.3
97	E	40.8	Very low	49.5	Very low	184 Å²	184	128.3 Å²	128.3	86%	0.86	72%	0.715	S	S	*	*			trans	-138.4	64.7	-178.7	-66	-89.4	156.1	0	0	109	G95	G95-E97 VanDerWaalsContact C-N 3.3Å; G95-E97 PolarHBondContact O-N 3.45Å
98	S	35.3	Very low	46.8	Very low	114 Å²	114	126.1 Å²	126.1	80%	0.797	71%	0.713	S	S	*	*			trans	-138	59.4	149.9	175.7	0	0	0	0	107.4	V100	S98-V100 PolarHBondContact O-N 2.86Å
99	C	32.2	Very low	44.2	Very low	124 Å²	124	131.4 Å²	131.4	84%	0.838	74%	0.742	S	S	*	*			trans	-60.6	124	162.9	-78.3	0	0	0	0	108.4
100	V	39.9	Very low	41.8	Very low	139 Å²	139	134.1 Å²	134.1	84%	0.842	76%	0.761	S	S	*	*			trans	-56.9	140.2	173.5	-176.1	0	0	0	0	109.2	S98	S98-V100 PolarHBondContact O-N 2.86Å
101	L	33.3	Very low	39.7	Very low	163 Å²	163	136 Å²	136	85%	0.853	77%	0.766	S	S	*	*			trans	-39.2	145	-179.1	-99.8	92.9	0	0	0	116.8
102	A	29.3	Very low	37.8	Very low	74 Å²	74	134.1 Å²	134.1	61%	0.612	77%	0.765	S	S	*	*			trans	96.1	98.7	134.5	0	0	0	0	0	119.5
103	T	28.1	Very low	37.1	Very low	130 Å²	130	132.7 Å²	132.7	80%	0.798	77%	0.766	S	S	*	*				92.3	133.8	121.8	53.4	0	0	0	0	120.1
104	V	39.4	Very low	36.5	Very low	127 Å²	127	131.1 Å²	131.1	77%	0.77	76%	0.758	S	S	*	*			trans	88.5	124.1	160.9	-164.8	0	0	0	0	115.1
105	E	34.2	Very low	36.2	Very low	158 Å²	158	133.3 Å²	133.3	74%	0.738	76%	0.763	S	S	*	*			cis	-168.8	147.3	-13.4	-108.7	-173.5	174.8	0	0	106.5
106	H	35.9	Very low	36.1	Very low	143 Å²	143	134.9 Å²	134.9	66%	0.662	77%	0.765	S	S	*	*			trans	71.6	131.8	142.9	-86.9	-79.3	0	0	0	125.5
107	H	39.5	Very low	35.8	Very low	158 Å²	158	137.6 Å²	137.6	73%	0.731	77%	0.767	S	S	*	*			trans	96.7	91.1	155.6	-58	-53.9	0	0	0	117.4
108	S	37.8	Very low	35.5	Very low	82 Å²	82	137.9 Å²	137.9	57%	0.573	77%	0.771	S	S	*	*				62.7	100.4	70.5	77.3	0	0	0	0	114
109	D	39.9	Very low	35.3	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	77%	0.772	S	S	*	*				176.1	139	102.6	-82.1	-28	0	0	0	114.4
110	T	38.9	Very low	35.3	Very low	115 Å²	115	143.1 Å²	143.1	71%	0.706	77%	0.772	S	S	*	*			trans	-52.7	147.6	172.4	35.3	0	0	0	0	116.4
111	H	40.4	Very low	35.1	Very low	183 Å²	183	141.8 Å²	141.8	85%	0.847	77%	0.769	S	S	*	*				-167.7	117.3	117.5	-111.9	-82.1	0	0	0	113.3
112	V	33	Very low	34.8	Very low	119 Å²	119	140.5 Å²	140.5	72%	0.721	77%	0.772	S	S	*	*			trans	-76.1	148.2	161.5	172.1	0	0	0	0	108.4
113	L	39.3	Very low	35.1	Very low	169 Å²	169	145.7 Å²	145.7	89%	0.885	78%	0.784	S	S	*	*			trans	-168.9	135.5	134.3	-96.2	178.7	0	0	0	114
114	H	32.1	Very low	35.1	Very low	167 Å²	167	147.7 Å²	147.7	77%	0.773	79%	0.788	S	S	*	*			trans	-72.2	150.9	179.2	-117.9	105.4	0	0	0	114
115	S	32.9	Very low	34.7	Very low	114 Å²	114	148.6 Å²	148.6	80%	0.797	79%	0.788	S	S	*	*			trans	179.6	106.5	135.2	-128.6	0	0	0	0	109.7
116	S	35.9	Very low	34.6	Very low	88 Å²	88	149 Å²	149	62%	0.615	79%	0.79	S	S	*	*				72.8	115.6	80.8	-75.1	0	0	0	0	116.8
117	Q	34.8	Very low	34.2	Very low	184 Å²	184	149.7 Å²	149.7	86%	0.86	80%	0.798	S	S	*	*			trans	68.9	124.7	144.7	-72.9	174.5	-20.6	0	0	120.5
118	M	34.2	Very low	33.7	Very low	191 Å²	191	148.5 Å²	148.5	94%	0.941	80%	0.802	S	S	*	*				-167.1	154	101.3	-76.2	-139.8	81.2	0	0	111.4
119	M	31.1	Very low	33.3	Very low	169 Å²	169	152.4 Å²	152.4	83%	0.833	81%	0.811	S	S	*	*			trans	-80.7	175	-174.6	-84.1	179.4	176.7	0	0	114.2
120	E	32.7	Very low	32.8	Very low	179 Å²	179	151.3 Å²	151.3	84%	0.836	81%	0.812	S	S	*	*			trans	75.7	112.6	161.5	-80.8	158.3	145.4	0	0	114.6
121	S	35.6	Very low	32.3	Very low	111 Å²	111	152.9 Å²	152.9	78%	0.776	82%	0.816	S	S	*	*				-173	144.6	67.8	-49.6	0	0	0	0	109
122	C	25.8	Very low	31.7	Very low	136 Å²	136	152.1 Å²	152.1	92%	0.919	82%	0.817	S	S	*	*			trans	-73	123.9	166.1	-68.3	0	0	0	0	109.6
123	E	35.2	Very low	31.4	Very low	183 Å²	183	154.5 Å²	154.5	86%	0.855	82%	0.824	S	S	*	*			trans	-132	136.1	153.1	-75.2	-164.3	149.9	0	0	109.9
124	L	28.6	Very low	30.7	Very low	171 Å²	171	150.6 Å²	150.6	90%	0.895	81%	0.81	S	S	*	*			trans	-61.9	125.8	179.2	-70.4	145.8	0	0	0	109.6
125	I	30.7	Very low	30.6	Very low	147 Å²	147	147 Å²	147	75%	0.754	80%	0.804	S	S	*	*			trans	-120	97.3	162.6	-59.2	177.6	0	0	0	106.5
126	E	31.9	Very low	30.3	Very low	167 Å²	167	152.4 Å²	152.4	78%	0.78	81%	0.808	S	S	*	*			trans	-65.2	150.6	152.3	-63.9	-178.2	151.6	0	0	107.9
127	D	28.7	Very low	30.1	Very low	156 Å²	156	159.4 Å²	159.4	83%	0.834	82%	0.823	S	S	*	*			trans	79.2	77.9	175.5	-56.1	-29.2	0	0	0	118.9
128	V	29.4	Very low	29.9	Very low	134 Å²	134	159 Å²	159	81%	0.812	82%	0.819	S	S	*	*			trans	-145.6	120.3	148.5	-170.2	0	0	0	0	111
129	Q	27.9	Very low	29.7	Very low	163 Å²	163	158.9 Å²	158.9	76%	0.762	82%	0.816	S	S	*	*			trans	-61.6	137.2	172.7	-61.1	-153.1	-25	0	0	111.9	L131	Q129-L131 PolarHBondContact O-N 3.44Å; Q129-L131 VanDerWaalsContact O-N 3.08Å
130	P	29.9	Very low	29.8	Very low	131 Å²	131	157.4 Å²	157.4	85%	0.851	81%	0.811	S	S	*	*			trans	-79	98.2	164.6	30.4	-25.9	0	0	0	108.2
131	L	28.7	Very low	29.8	Very low	149 Å²	149	153.7 Å²	153.7	78%	0.78	81%	0.805	S	S	*	*			trans	-49.3	134.8	165.3	-71	169.3	0	0	0	110.6	Q129 I133	Q129-L131 PolarHBondContact O-N 3.44Å; Q129-L131 VanDerWaalsContact O-N 3.08Å; L131-I133 PolarHBondContact O-N 3.39Å
132	L	26.7	Very low	29.6	Very low	167 Å²	167	156.9 Å²	156.9	87%	0.874	81%	0.808	S	S	*	*			trans	-53.3	115.7	169.3	-136.2	87.7	0	0	0	109.3	S134	L132-S134 PolarHBondContact O-N 2.84Å; L132-S134 VanDerWaalsContact O-N 3.09Å
133	I	26.8	Very low	29.8	Very low	169 Å²	169	155.9 Å²	155.9	87%	0.867	80%	0.798	S	S	*	*			trans	-77.5	97	165	-64.6	174.8	0	0	0	106.9	L131	L131-I133 PolarHBondContact O-N 3.39Å
134	S	25.5	Very low	29.5	Very low	86 Å²	86	153.2 Å²	153.2	60%	0.601	79%	0.789	S	S	*	*			trans	-72.9	148.7	163.4	169.7	0	0	0	0	110.6	L132	L132-S134 PolarHBondContact O-N 2.84Å; L132-S134 VanDerWaalsContact O-N 3.09Å
135	S	29	Very low	29.6	Very low	91 Å²	91	152.9 Å²	152.9	64%	0.636	78%	0.783	S	S	*	*			trans	65.9	111.4	149.2	58.1	0	0	0	0	119.9
136	Y	27.1	Very low	29.5	Very low	228 Å²	228	150.1 Å²	150.1	89%	0.894	78%	0.783	S	S	*	*			trans	-140.3	91	137.7	-95	-88	0	0	0	108.7
137	Y	31.3	Very low	29.3	Very low	235 Å²	235	146.4 Å²	146.4	92%	0.922	78%	0.78	S	S	*	*			trans	-139.8	131.6	145.2	-90	-79.8	0	0	0	107.2
138	F	30.5	Very low	29.3	Very low	177 Å²	177	147 Å²	147	78%	0.776	78%	0.782	S	S	*	*			trans	-80.1	125.1	-170.3	-173.6	-93.4	0	0	0	109.3	D140	F138-D140 HydrophobicContact CE1-CB 4.01Å; F138-D140 WeakPolarHBondContact CE1-OD2 3.48Å
139	E	29.7	Very low	29.4	Very low	188 Å²	188	145.8 Å²	145.8	88%	0.879	78%	0.778	S	S	*	*			trans	-98.2	130.5	163.9	-74.3	-161.5	126.7	0	0	108.5
140	D	34.6	Very low	29.4	Very low	137 Å²	137	142.3 Å²	142.3	73%	0.733	77%	0.767	S	S	*	*			trans	-122.7	142.3	156.6	-117.1	-25.6	0	0	0	110	F138	F138-D140 HydrophobicContact CE1-CB 4.01Å; F138-D140 WeakPolarHBondContact CE1-OD2 3.48Å
141	S	31.8	Very low	29.5	Very low	101 Å²	101	140.3 Å²	140.3	71%	0.706	76%	0.756	S	S	*	*			trans	-77.9	153.8	-153.4	-64.4	0	0	0	0	115.6
142	Q	32.1	Very low	29.7	Very low	178 Å²	178	139.1 Å²	139.1	83%	0.832	75%	0.75	S	S	*	*				179.7	108.5	115.8	-97.9	169.6	42.9	0	0	109.6
143	T	29	Very low	29.8	Very low	115 Å²	115	137.2 Å²	137.2	71%	0.706	74%	0.741	S	S	*	*				55.2	126.1	104.5	60.9	0	0	0	0	112.8
144	D	29.2	Very low	29.9	Very low	127 Å²	127	136 Å²	136	68%	0.679	74%	0.741	S	S	*	*			cis	-170.8	150.1	25	-139.8	-1.4	0	0	0	108.8
145	Q	30.8	Very low	30.1	Very low	164 Å²	164	137 Å²	137	77%	0.766	74%	0.744	S	S	*	*			trans	75.4	105.9	149.3	-66.7	176.5	60.3	0	0	122
146	A	29.8	Very low	30.1	Very low	90 Å²	90	141.1 Å²	141.1	74%	0.744	75%	0.751	S	S	*	*				60.7	95.6	127	0	0	0	0	0	117.8
147	A	27.7	Very low	30.2	Very low	88 Å²	88	136.4 Å²	136.4	73%	0.727	75%	0.746	S	S	*	*				49.6	105.4	84.8	0	0	0	0	0	113.7
148	L	27.3	Very low	29.9	Very low	168 Å²	168	132.2 Å²	132.2	88%	0.88	74%	0.738	S	S	*	*				179.1	151.7	94.7	-81.9	176.5	0	0	0	111.7
149	P	31.3	Very low	30.1	Very low	110 Å²	110	129.5 Å²	129.5	71%	0.714	74%	0.741	S	S	*	*			trans	-112	-171.6	-166	29.8	-9.4	0	0	0	113.7
150	V	29.4	Very low	30.2	Very low	89 Å²	89	127.5 Å²	127.5	54%	0.539	74%	0.736	S	S	.	*			trans	121.4	93.5	150.6	-177.1	0	0	0	0	117.3
151	S	31.3	Very low	30.4	Very low	90 Å²	90	129 Å²	129	63%	0.629	74%	0.744	S	S	*	*				61.2	146.6	108.1	91.8	0	0	0	0	126.4
152	L	32.6	Very low	30.6	Very low	123 Å²	123	129.1 Å²	129.1	64%	0.644	75%	0.745	S	S	*	*			trans	105.8	111	140.3	-63.1	168.9	0	0	0	120.5
153	N	29.2	Very low	30.7	Very low	128 Å²	128	126.4 Å²	126.4	68%	0.684	74%	0.741	S	S	*	*				75.3	133.3	120	-57.4	1.2	0	0	0	121.5
154	T	29.5	Very low	31.2	Very low	143 Å²	143	130.1 Å²	130.1	88%	0.877	75%	0.75	S	S	*	*			trans	-151.3	144.9	134.2	-62.9	0	0	0	0	111.2
155	T	29.1	Very low	31.5	Very low	106 Å²	106	130.6 Å²	130.6	65%	0.65	75%	0.752	S	S	*	*			trans	-86.2	175.8	-166.3	-51.4	0	0	0	0	115.2
156	F	28.4	Very low	31.8	Very low	178 Å²	178	129.5 Å²	129.5	78%	0.781	76%	0.757	S	S	*	*			trans	108.5	142.9	151.1	-73.5	-75.5	0	0	0	115.9
157	T	29	Very low	32.1	Very low	129 Å²	129	132.6 Å²	132.6	79%	0.791	76%	0.756	S	S	*	*			cis	-164.6	162.8	16.1	0.6	0	0	0	0	109.7
158	I	26.3	Very low	32.4	Very low	147 Å²	147	135.1 Å²	135.1	75%	0.754	75%	0.754	S	S	*	*			trans	-78.8	151.7	179.5	-62.4	157.8	0	0	0	112.9
159	S	34.7	Very low	32.7	Very low	120 Å²	120	134.6 Å²	134.6	84%	0.839	75%	0.747	S	S	*	*			trans	-155.4	123	147.7	-46.1	0	0	0	0	111.4
160	N	31.3	Very low	32.6	Very low	146 Å²	146	133.4 Å²	133.4	78%	0.781	74%	0.738	S	S	*	*			trans	-100.5	146.8	168	-75.7	-28.4	0	0	0	108.8
161	D	38.5	Very low	32.6	Very low	168 Å²	168	139.8 Å²	139.8	90%	0.898	75%	0.752	S	S	*	*			trans	-172.3	149.9	159.6	-83	-35.3	0	0	0	106.4
162	S	35.5	Very low	32.6	Very low	104 Å²	104	141.7 Å²	141.7	73%	0.727	76%	0.76	S	S	*	*			cis	-169.6	133.9	-14.9	170.9	0	0	0	0	106.9
163	V	35.2	Very low	32.7	Very low	122 Å²	122	140.1 Å²	140.1	74%	0.739	77%	0.765	S	S	*	*			trans	-14.6	139.6	149.8	-172.3	0	0	0	0	119.1
164	E	39.1	Very low	33.1	Very low	193 Å²	193	139.7 Å²	139.7	90%	0.902	77%	0.769	S	S	*	*				-160.3	112.1	127.5	-70	-151.3	152.2	0	0	108.4
165	D	34.9	Very low	33.1	Very low	137 Å²	137	140.7 Å²	140.7	73%	0.733	77%	0.768	S	S	*	*				76	125.8	77.7	-119.5	-8.9	0	0	0	116.6
166	V	37.8	Very low	33.4	Very low	141 Å²	141	141.7 Å²	141.7	86%	0.855	77%	0.774	S	S	*	*			trans	163.9	117.7	132	166.1	0	0	0	0	110.3
167	Q	35.4	Very low	33.6	Very low	155 Å²	155	140.4 Å²	140.4	72%	0.724	78%	0.775	S	S	*	*			trans	-82.1	167.7	179.5	-62.8	174.3	-45.8	0	0	113.9
168	M	34.5	Very low	34.1	Very low	140 Å²	140	139.6 Å²	139.6	69%	0.69	77%	0.772	S	S	*	*				147.1	111.3	118.9	-82.3	-144	-157.5	0	0	111.1
169	E	33.8	Very low	34.5	Very low	157 Å²	157	139.4 Å²	139.4	73%	0.734	77%	0.771	S	S	*	*				81	144.4	97.4	-78.4	-154	97.4	0	0	112.7
170	T	29.6	Very low	34.3	Very low	86 Å²	86	142.8 Å²	142.8	53%	0.528	77%	0.774	S	S	.	*			cis	-175.6	140.9	4.4	-100.4	0	0	0	0	108.1
171	R	27.8	Very low	34.4	Very low	223 Å²	223	139.9 Å²	139.9	84%	0.842	78%	0.778	S	S	*	*			trans	47.2	136.2	149.5	-59.1	170.4	170.2	147.3	-5.7	122.6
172	T	32.8	Very low	34.2	Very low	130 Å²	130	135.3 Å²	135.3	80%	0.798	77%	0.771	S	S	*	*				151.4	126.5	99	-50.1	0	0	0	0	111.4
173	A	34.8	Very low	34.2	Very low	89 Å²	89	135.6 Å²	135.6	74%	0.736	77%	0.773	S	S	*	*			trans	-94.3	156.6	167.4	0	0	0	0	0	111.5
174	P	37.7	Very low	34.3	Very low	120 Å²	120	138.3 Å²	138.3	78%	0.779	78%	0.775	S	S	*	*				-144.6	138.3	119.3	31.1	-13	0	0	0	112.4
175	L	28.8	Very low	34.2	Very low	164 Å²	164	137.7 Å²	137.7	86%	0.859	77%	0.769	S	S	*	*				63.6	128.8	82.3	-154.9	79.1	0	0	0	115.9
176	V	36	Very low	34.5	Very low	127 Å²	127	137.2 Å²	137.2	77%	0.77	77%	0.767	S	S	*	*			trans	120.9	102.3	150.5	-174.4	0	0	0	0	116.6
177	N	33	Very low	34.5	Very low	151 Å²	151	139 Å²	139	81%	0.807	77%	0.765	S	S	*	*			trans	-76.7	179	151.3	-67.4	-41.7	0	0	0	109.5
178	P	39.1	Very low	34.4	Very low	111 Å²	111	141.7 Å²	141.7	72%	0.721	77%	0.77	S	S	*	*			cis	-142.5	-167.3	10.4	31.8	-5.6	0	0	0	114.3
179	I	33.7	Very low	34.5	Very low	144 Å²	144	145 Å²	145	74%	0.738	78%	0.781	S	S	*	*				154.5	114	129.9	-73.4	156.6	0	0	0	113.4
180	E	30.5	Very low	34.3	Very low	191 Å²	191	141.5 Å²	141.5	89%	0.893	78%	0.779	S	S	*	*			trans	33.7	141.7	136.5	-55.6	-178.7	142.5	0	0	125.8
181	G	33.8	Very low	34.8	Very low	85 Å²	85	142.9 Å²	142.9	88%	0.876	79%	0.792	S	S	*	*			trans	122.9	124.4	147.1	0	0	0	0	0	113.4
182	G	33.9	Very low	35	Very low	72 Å²	72	139.5 Å²	139.5	74%	0.742	79%	0.79	S	S	*	*			cis	154.1	121.9	4.9	0	0	0	0	0	109.8
183	S	35.4	Very low	35.4	Very low	109 Å²	109	141 Å²	141	76%	0.762	79%	0.793	S	S	*	*			trans	70.8	127.1	141.9	-81.1	0	0	0	0	125.4
184	K	37.2	Very low	35.5	Very low	179 Å²	179	142 Å²	142	78%	0.778	79%	0.794	S	S	*	*				91.3	123.9	127.3	-72.7	175.1	-177.9	-180	0	121.9
185	K	38	Very low	35.6	Very low	180 Å²	180	139.7 Å²	139.7	78%	0.783	79%	0.793	S	S	*	*				163.2	118.2	103.4	-81	-165.5	176.8	173	0	110
186	D	41.2	Very low	36.2	Very low	128 Å²	128	140.4 Å²	140.4	68%	0.684	79%	0.789	S	S	*	*				72.2	140	87.4	-52.9	-30	0	0	0	112.2
187	E	37.5	Very low	36.5	Very low	178 Å²	178	140.4 Å²	140.4	83%	0.832	79%	0.785	S	S	*	*			cis	-170.1	169.6	11.4	-145.9	172.4	107.7	0	0	111.2
188	Y	32.8	Very low	36.9	Very low	211 Å²	211	142.3 Å²	142.3	83%	0.827	79%	0.789	S	S	*	*			trans	-64.2	159.9	177.6	-101.8	-114.2	0	0	0	117.6
189	K	36.5	Very low	36.9	Very low	211 Å²	211	141.3 Å²	141.3	92%	0.917	79%	0.79	S	S	*	*				-171	143.1	116.8	-139.5	166.9	-178.4	172	0	115.2
190	A	30.1	Very low	37.5	Very low	83 Å²	83	140.4 Å²	140.4	69%	0.686	79%	0.786	S	S	*	*			trans	-115	155	175.2	0	0	0	0	0	111.9
191	S	40.3	Very low	38	Very low	115 Å²	115	139.1 Å²	139.1	80%	0.804	78%	0.778	S	S	*	*			trans	-174.3	113.4	152.2	50	0	0	0	0	109.2
192	N	32.1	Very low	38.2	Very low	151 Å²	151	146.4 Å²	146.4	81%	0.807	78%	0.779	S	S	*	*				81.3	126.6	66.2	-94.2	-11.2	0	0	0	116.8
193	L	42.1	Very low	38.4	Very low	162 Å²	162	148.4 Å²	148.4	85%	0.848	78%	0.779	S	S	*	*			trans	83.1	148.7	153.2	-54.5	160.1	0	0	0	118.9
194	S	37	Very low	38.7	Very low	109 Å²	109	151.4 Å²	151.4	76%	0.762	79%	0.786	S	S	*	*			cis	-179.3	151.9	-33.8	59.9	0	0	0	0	107.5
195	G	39	Very low	38.6	Very low	73 Å²	73	150.4 Å²	150.4	75%	0.753	79%	0.789	S	S	*	*			trans	83	145.7	161	0	0	0	0	0	116.7
196	K	40.2	Very low	38.8	Very low	178 Å²	178	147.5 Å²	147.5	77%	0.774	79%	0.792	S	S	*	*			cis	-175.7	150.2	9.2	-120.7	-179.8	162.6	-176.5	0	108.8
197	D	43.4	Very low	38.5	Very low	127 Å²	127	145.9 Å²	145.9	68%	0.679	80%	0.796	S	S	*	*			trans	62.1	145.5	146.7	-46.7	-29.5	0	0	0	118
198	E	40.5	Very low	38.6	Very low	192 Å²	192	143.5 Å²	143.5	90%	0.897	80%	0.796	S	S	*	*			cis	-165.2	174.5	23.2	-147.6	-179.8	133.8	0	0	110
199	A	40.6	Very low	38.6	Very low	89 Å²	89	142.9 Å²	142.9	74%	0.736	80%	0.797	S	S	*	*			trans	-73.5	165.6	-167.3	0	0	0	0	0	117.3
200	D	44.8	Very low	38.5	Very low	125 Å²	125	141.8 Å²	141.8	67%	0.668	80%	0.796	S	S	*	*				157.9	146.6	103.3	-150.5	9.1	0	0	0	114.3
201	K	42.5	Very low	38.7	Very low	164 Å²	164	144.4 Å²	144.4	71%	0.713	80%	0.803	S	S	*	*			trans	71.4	105.7	155.1	-81.6	157.9	-173.3	138.2	0	125
202	R	36.8	Very low	38.1	Very low	239 Å²	239	148.3 Å²	148.3	90%	0.902	81%	0.806	S	S	*	*				61.9	145	116.3	-88.1	-172	-179	-176.1	0.8	123.1
203	P	38.9	Very low	38.2	Very low	114 Å²	114	147.2 Å²	147.2	74%	0.74	81%	0.807	S	S	*	*			trans	-100.2	163	-175.2	40.6	-32.1	0	0	0	113.2
204	D	42.1	Very low	37.5	Very low	171 Å²	171	144 Å²	144	91%	0.914	80%	0.804	S	S	*	*			trans	-146.1	135.6	161.3	-106.1	-28.5	0	0	0	114.1
205	N	34.7	Very low	37.4	Very low	159 Å²	159	147.1 Å²	147.1	85%	0.85	81%	0.81	S	S	*	*			trans	-77.4	144.2	174.2	-82.3	-44	0	0	0	111.1
206	S	41.3	Very low	36.8	Very low	119 Å²	119	150.7 Å²	150.7	83%	0.832	81%	0.812	S	S	*	*			trans	-166.4	123.4	140.1	44.2	0	0	0	0	112.2
207	A	35	Very low	36.4	Very low	93 Å²	93	147.8 Å²	147.8	77%	0.769	81%	0.81	S	S	*	*			trans	-76.3	165.8	163.1	0	0	0	0	0	110.1
208	P	39.8	Very low	35.8	Very low	129 Å²	129	148.6 Å²	148.6	84%	0.838	81%	0.814	S	S	*	*				-146.7	158.6	100.4	32.8	-14.1	0	0	0	116.5
209	K	32	Very low	35.2	Very low	197 Å²	197	145.2 Å²	145.2	86%	0.857	81%	0.81	S	S	*	*			trans	-55.4	143	171.7	-58.6	165.3	175	176.9	0	113.3
210	Q	35.9	Very low	34.7	Very low	188 Å²	188	151.5 Å²	151.5	88%	0.879	82%	0.816	S	S	*	*			trans	-156.5	112.3	134.5	-65.7	-156.4	9.3	0	0	109.1
211	V	33.6	Very low	34	Very low	139 Å²	139	154 Å²	154	84%	0.842	82%	0.824	S	S	*	*				76.2	113.9	98.9	-179.6	0	0	0	0	114.8
212	F	27.5	Very low	33.6	Very low	197 Å²	197	153.8 Å²	153.8	86%	0.864	83%	0.829	S	S	*	*			trans	-72.4	162.3	172.8	-76.2	-85.7	0	0	0	112.6
213	P	35.1	Very low	33.2	Very low	127 Å²	127	152.8 Å²	152.8	83%	0.825	83%	0.825	S	S	*	*				-149.7	172.2	82.1	34.3	-11.2	0	0	0	117.3
214	A	27.1	Very low	33	Very low	96 Å²	96	152.2 Å²	152.2	79%	0.793	82%	0.824	S	S	*	*			trans	-64.6	151.3	-171	0	0	0	0	0	117.1
215	I	34.4	Very low	32.8	Very low	173 Å²	173	153.6 Å²	153.6	89%	0.887	82%	0.822	S	S	*	*			trans	-146.5	129.5	150.5	-21.7	172.5	0	0	0	109.6
216	N	27.2	Very low	32.8	Very low	149 Å²	149	153.4 Å²	153.4	80%	0.797	82%	0.821	S	S	*	*			trans	-79.5	165	175.6	-107.5	-26.4	0	0	0	111.7
217	T	30.4	Very low	32.6	Very low	117 Å²	117	156 Å²	156	72%	0.718	82%	0.82	S	S	*	*			trans	105.8	127.4	149	68.7	0	0	0	0	120.4
218	N	32.6	Very low	32.9	Very low	144 Å²	144	158.5 Å²	158.5	77%	0.77	82%	0.819	S	S	*	*			trans	106.9	124	136.8	-67.2	-19.4	0	0	0	120.4
219	C	26.8	Very low	32.8	Very low	121 Å²	121	158.6 Å²	158.6	82%	0.818	81%	0.813	S	S	*	*			trans	-57.9	151.3	172.9	-52.6	0	0	0	0	113.5
220	Y	31	Very low	33.2	Very low	221 Å²	221	155.4 Å²	155.4	87%	0.867	81%	0.81	S	S	*	*			trans	-133.2	117.9	154.4	-87.6	-84.2	0	0	0	110
221	E	29.1	Very low	33.2	Very low	176 Å²	176	152 Å²	152	82%	0.822	80%	0.804	S	S	*	*			trans	-93.9	132.1	163.5	-166.1	-179.9	-166.8	0	0	106.6
222	I	34.4	Very low	33.2	Very low	161 Å²	161	152.3 Å²	152.3	83%	0.826	81%	0.806	S	S	*	*			trans	-117.3	125.7	173.2	-61	177.7	0	0	0	108
223	R	28.5	Very low	33.5	Very low	217 Å²	217	148.2 Å²	148.2	82%	0.819	80%	0.797	S	S	*	*			trans	-130	155.4	179.1	-151.9	179	-171.1	162.6	2.5	110.3
224	S	33.9	Very low	33.4	Very low	103 Å²	103	149 Å²	149	72%	0.72	79%	0.794	S	S	*	*			trans	85.5	132.4	172.3	84.8	0	0	0	0	115.4
225	K	39.6	Very low	33.8	Very low	199 Å²	199	149.7 Å²	149.7	87%	0.865	79%	0.793	S	S	*	*				-147.7	156.9	51.7	-80.5	170.3	171.9	176.6	0	114.8
226	N	34.3	Very low	33.8	Very low	156 Å²	156	150.1 Å²	150.1	83%	0.834	79%	0.794	S	S	*	*			trans	-80.9	170.8	178.4	-72.3	-14.3	0	0	0	114.7
227	E	37.5	Very low	34.3	Very low	173 Å²	173	149.5 Å²	149.5	81%	0.808	80%	0.798	S	S	*	*			trans	128.1	105.8	142.2	-70	-171.3	138.4	0	0	113.9
228	L	40.1	Very low	34.5	Very low	145 Å²	145	148.2 Å²	148.2	76%	0.759	80%	0.799	S	S	*	*				71.7	126.3	110.1	-103	73.3	0	0	0	112.6
229	D	37.7	Very low	34.5	Very low	132 Å²	132	147 Å²	147	71%	0.706	80%	0.802	S	S	*	*			cis	-162	148.4	42.8	-93.3	-46	0	0	0	113.7
230	T	39.8	Very low	34.8	Very low	130 Å²	130	145.5 Å²	145.5	80%	0.798	80%	0.798	S	S	*	*			trans	8.9	161.9	154.2	46.6	0	0	0	0	127.1
231	P	36.7	Very low	34.8	Very low	116 Å²	116	139.3 Å²	139.3	75%	0.753	79%	0.793	S	S	*	*			trans	-113.4	164.6	-153.7	41.8	-29.7	0	0	0	115.7
232	V	34.1	Very low	35.2	Very low	145 Å²	145	138 Å²	138	88%	0.879	80%	0.797	S	S	*	*			trans	-141.6	134.6	162.4	-179	0	0	0	0	111.2
233	V	33.8	Very low	35	Very low	112 Å²	112	133.4 Å²	133.4	68%	0.679	79%	0.789	S	S	*	*			trans	-73.1	149.8	179.5	-69.5	0	0	0	0	112.8
234	D	32.5	Very low	35.2	Very low	142 Å²	142	131 Å²	131	76%	0.759	79%	0.792	S	S	*	*				163.8	126.4	115.1	-88.9	-30.4	0	0	0	114.4
235	S	35.4	Very low	35.3	Very low	111 Å²	111	132 Å²	132	78%	0.776	80%	0.796	S	S	*	*			trans	71.5	109.1	133.5	-55.2	0	0	0	0	121.5
236	M	33.9	Very low	35.1	Very low	183 Å²	183	129.5 Å²	129.5	90%	0.901	80%	0.797	S	S	*	*			trans	-66.8	167.9	155.4	-64.4	-178	123.5	0	0	111.7
237	P	38.9	Very low	34.9	Very low	135 Å²	135	125.3 Å²	125.3	88%	0.877	79%	0.791	S	S	*	*				-145.8	-177.9	95.8	35.3	-16	0	0	0	115.5
238	A	33.1	Very low	34.7	Very low	90 Å²	90	126.4 Å²	126.4	74%	0.744	80%	0.796	S	S	*	*			trans	-98.6	176.8	-150.6	0	0	0	0	0	118
239	S	32.7	Very low	34.5	Very low	120 Å²	120	130.4 Å²	130.4	84%	0.839	80%	0.803	S	S	*	*			trans	85.5	142.5	160.6	98.1	0	0	0	0	116.1
240	A	33.9	Very low	34.1	Very low	89 Å²	89	128 Å²	128	74%	0.736	81%	0.809	S	S	*	*			cis	-160.3	150.4	10	0	0	0	0	0	111.7
241	A	31.8	Very low	33.9	Very low	91 Å²	91	128.4 Å²	128.4	75%	0.752	80%	0.803	S	S	*	*			trans	70.2	147.9	139.8	0	0	0	0	0	123.6
242	V	35.8	Very low	33.5	Very low	148 Å²	148	128.6 Å²	128.6	90%	0.897	80%	0.803	S	S	*	*			trans	87.6	114.8	171.2	-162.1	0	0	0	0	114.2
243	G	31.4	Very low	33.5	Very low	64 Å²	64	127.7 Å²	127.7	66%	0.66	80%	0.797	S	S	*	*			cis	134	97.1	5.4	0	0	0	0	0	109.7
244	D	32.1	Very low	33.4	Very low	166 Å²	166	132.1 Å²	132.1	89%	0.888	81%	0.808	S	S	*	*			trans	-157.1	142.6	168.2	-91.1	-35.5	0	0	0	111.8
245	P	36	Very low	33.5	Very low	125 Å²	125	128 Å²	128	81%	0.812	80%	0.798	S	S	*	*			trans	-96.6	138.4	-168.5	36.1	-31	0	0	0	113.9
246	V	34.6	Very low	33.4	Very low	146 Å²	146	128.7 Å²	128.7	89%	0.885	80%	0.803	S	S	*	*			trans	-110.5	130.4	170.9	175.2	0	0	0	0	110
247	G	30.9	Very low	33.3	Very low	69 Å²	69	126 Å²	126	71%	0.711	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-65.7	141.6	-171.4	0	0	0	0	0	115.7
248	Q	33.2	Very low	32.8	Very low	196 Å²	196	127.1 Å²	127.1	92%	0.916	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-89	121.1	173.7	-77.7	175.5	-17.8	0	0	111
249	Y	36.2	Very low	32.8	Very low	229 Å²	229	127.5 Å²	127.5	90%	0.898	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-79.4	118.8	159.4	-83.8	-94.1	0	0	0	108.7
250	G	30.3	Very low	32.6	Very low	80 Å²	80	130.2 Å²	130.2	83%	0.825	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-73.9	131.3	177.9	0	0	0	0	0	112.3
251	M	33.5	Very low	32.6	Very low	139 Å²	139	133.5 Å²	133.5	69%	0.685	79%	0.792	S	S	*	*			trans	-118.4	130.5	168.4	-77.7	-146.2	63.6	0	0	109.8	Y38 V253	Y38-M251 HydrophobicContact CE2-CE 4.19Å; M251-V253 PolarHBondContact O-N 3.28Å
252	T	30.1	Very low	32.5	Very low	121 Å²	121	134 Å²	134	74%	0.742	80%	0.795	S	S	*	*			trans	-76.3	104.8	174.1	-45.9	0	0	0	0	109.1	F254	T252-F254 HydrophobicContact CG2-CD2 4.13Å; T252-F254 HydrophobicContact CG2-CE2 3.94Å
253	V	33.1	Very low	32.5	Very low	125 Å²	125	133 Å²	133	76%	0.758	80%	0.796	S	S	*	*			trans	-99.1	111.7	169.1	179.6	0	0	0	0	107	M251 G255	M251-V253 PolarHBondContact O-N 3.28Å; V253-G255 PolarHBondContact O-N 2.8Å; V253-G255 VanDerWaalsContact O-N 3.16Å
254	F	32.4	Very low	32.7	Very low	206 Å²	206	133.1 Å²	133.1	90%	0.904	80%	0.797	S	S	*	*			trans	-76.8	96.8	166.5	-86.4	-86.1	0	0	0	108.3	T252	T252-F254 HydrophobicContact CG2-CD2 4.13Å; T252-F254 HydrophobicContact CG2-CE2 3.94Å
255	G	34.1	Very low	32.8	Very low	54 Å²	54	133.5 Å²	133.5	56%	0.557	79%	0.792	S	S	*	*			trans	-122.4	124.5	170.3	0	0	0	0	0	109.7	V253 T257	V253-G255 PolarHBondContact O-N 2.8Å; V253-G255 VanDerWaalsContact O-N 3.16Å; G255-T257 PolarHBondContact O-N 3.05Å
256	S	33.9	Very low	32.8	Very low	127 Å²	127	133 Å²	133	89%	0.888	79%	0.792	S	S	*	*			trans	-66.1	119.9	173.3	-53.2	0	0	0	0	110
257	T	31.6	Very low	32.9	Very low	125 Å²	125	130.3 Å²	130.3	77%	0.767	78%	0.78	S	S	*	*			trans	-96	115.3	169	50.5	0	0	0	0	109.5	G255	G255-T257 PolarHBondContact O-N 3.05Å
258	I	29.2	Very low	33.1	Very low	160 Å²	160	131.8 Å²	131.8	82%	0.821	78%	0.779	S	S	*	*			trans	-83.9	119.1	162.6	-49	173.3	0	0	0	105.7
259	V	31.7	Very low	33.1	Very low	97 Å²	97	133.9 Å²	133.9	59%	0.588	78%	0.779	S	S	*	*			trans	-119.2	105.4	170.4	-179.3	0	0	0	0	105.9
260	E	28.6	Very low	32.9	Very low	177 Å²	177	128.5 Å²	128.5	83%	0.827	77%	0.773	S	S	*	*			trans	-87.1	123.4	162.4	-70.5	-166.5	143.6	0	0	107.8
261	D	33.6	Very low	32.9	Very low	159 Å²	159	130.4 Å²	130.4	85%	0.85	77%	0.769	S	S	*	*			trans	-133.2	121.5	158.5	-86.2	-36.8	0	0	0	108
262	A	30.6	Very low	33	Very low	100 Å²	100	131.1 Å²	131.1	83%	0.826	77%	0.774	S	S	*	*			trans	-95.4	142.6	-175	0	0	0	0	0	112.2
263	S	36.2	Very low	33.4	Very low	129 Å²	129	130 Å²	130	90%	0.902	78%	0.777	S	S	*	*			trans	168.1	136.9	147.8	50	0	0	0	0	106.3
264	G	33.9	Very low	33.4	Very low	66 Å²	66	127.4 Å²	127.4	68%	0.68	78%	0.775	S	S	*	*			cis	174.2	169	7.4	0	0	0	0	0	103.7
265	H	35.7	Very low	33.5	Very low	173 Å²	173	128.2 Å²	128.2	80%	0.801	78%	0.778	S	S	*	*			cis	-170.6	162	2.8	-113.5	79	0	0	0	106.5
266	S	36.4	Very low	33.5	Very low	115 Å²	115	130 Å²	130	80%	0.804	79%	0.788	S	S	*	*			trans	87.8	132.4	153	-168.2	0	0	0	0	118.1
267	S	34.9	Very low	33.6	Very low	90 Å²	90	130.8 Å²	130.8	63%	0.629	79%	0.787	S	S	*	*			cis	179.7	147.1	-10.7	-174.4	0	0	0	0	108.2
268	S	36.7	Very low	33.8	Very low	99 Å²	99	128.8 Å²	128.8	69%	0.692	78%	0.783	S	S	*	*			trans	134.4	96.2	137.1	-53.3	0	0	0	0	119.1
269	R	33.2	Very low	34.3	Very low	240 Å²	240	127.5 Å²	127.5	91%	0.906	78%	0.783	S	S	*	*			trans	11.1	141.1	144.2	-66.7	179.3	-167.2	140.2	4.6	124.1
270	C	30.6	Very low	34.8	Very low	116 Å²	116	128.6 Å²	128.6	78%	0.784	79%	0.792	S	S	*	*				-176.1	112.7	106.4	-152.3	0	0	0	0	113.5
271	V	32.1	Very low	35.4	Very low	121 Å²	121	125.5 Å²	125.5	73%	0.733	79%	0.788	S	S	*	*				44.3	125.4	113	-148.7	0	0	0	0	116.9
272	I	35	Very low	35.6	Very low	153 Å²	153	128.4 Å²	128.4	79%	0.785	79%	0.793	S	S	*	*				-176.6	137.3	82.8	-76.7	169	0	0	0	112.6
273	A	38.1	Very low	35.8	Very low	99 Å²	99	127 Å²	127	82%	0.818	79%	0.788	S	S	*	*			trans	35.7	142.9	148.8	0	0	0	0	0	122.3
274	G	33.1	Very low	35.8	Very low	70 Å²	70	126.1 Å²	126.1	72%	0.722	78%	0.782	S	S	*	*			cis	150.5	129.5	4.7	0	0	0	0	0	110.2
275	K	34.8	Very low	35.8	Very low	222 Å²	222	132.2 Å²	132.2	97%	0.965	79%	0.793	S	S	*	*			trans	172.8	140.1	134.3	-108.3	171.6	174.3	172.9	0	112
276	A	34.2	Very low	35.7	Very low	92 Å²	92	126.8 Å²	126.8	76%	0.76	78%	0.783	S	S	*	*			trans	-108	153.6	-170.9	0	0	0	0	0	112.3
277	V	35.5	Very low	35.7	Very low	144 Å²	144	128.2 Å²	128.2	87%	0.873	79%	0.787	S	S	*	*			trans	-157	97.4	147	177.8	0	0	0	0	105.9
278	A	36.6	Very low	35.9	Very low	83 Å²	83	129.2 Å²	129.2	69%	0.686	79%	0.792	S	S	*	*				82.3	94.5	94.5	0	0	0	0	0	116.4
279	T	39.4	Very low	35.8	Very low	132 Å²	132	130.5 Å²	130.5	81%	0.81	80%	0.8	S	S	*	*			trans	10.1	170	132.3	35.9	0	0	0	0	122.4
280	P	42.8	Very low	36.1	Very low	121 Å²	121	125 Å²	125	79%	0.786	80%	0.796	S	S	*	*			cis	-136.4	-176.4	6.5	19.5	9.1	0	0	0	116.7
281	P	40.9	Very low	36.2	Very low	112 Å²	112	125.3 Å²	125.3	73%	0.727	80%	0.798	S	S	*	*			trans	-109.8	163.4	-159.9	40.7	-30.6	0	0	0	116.3
282	F	36.6	Very low	36.3	Very low	220 Å²	220	122.8 Å²	122.8	97%	0.965	80%	0.796	S	S	*	*			trans	-144	143.7	158.4	-84.5	-90.4	0	0	0	105.1
283	G	34.7	Very low	36.1	Very low	69 Å²	69	121.6 Å²	121.6	71%	0.711	80%	0.801	S	S	*	*			cis	-179.4	152.6	5.3	0	0	0	0	0	105
284	S	36.9	Very low	36	Very low	112 Å²	112	124.7 Å²	124.7	78%	0.783	80%	0.804	S	S	*	*			trans	-51.4	152.1	179.2	48	0	0	0	0	115.8
285	E	34.4	Very low	36.1	Very low	194 Å²	194	131 Å²	131	91%	0.907	81%	0.814	S	S	*	*			trans	144.3	125.9	147.2	-80.4	176.9	170.9	0	0	108.1
286	G	33.5	Very low	36	Very low	58 Å²	58	131.2 Å²	131.2	60%	0.598	81%	0.809	S	S	*	*			cis	102.9	95	28.9	0	0	0	0	0	109.5
287	T	36.6	Very low	36	Very low	146 Å²	146	131 Å²	131	90%	0.896	81%	0.807	S	S	*	*			trans	83	170.2	157.8	78.7	0	0	0	0	118
288	P	38.3	Very low	36.1	Very low	111 Å²	111	133.8 Å²	133.8	72%	0.721	81%	0.81	S	S	*	*				-112.2	163.3	-104.4	21.2	2	0	0	0	113.7
289	S	34.5	Very low	35.9	Very low	125 Å²	125	133.7 Å²	133.7	87%	0.874	82%	0.818	S	S	*	*			trans	-53.4	123.3	176.9	-57.6	0	0	0	0	112.9
290	P	39.6	Very low	35.9	Very low	125 Å²	125	132.1 Å²	132.1	81%	0.812	82%	0.818	S	S	*	*			trans	-94.9	122.2	178.1	34.4	-27	0	0	0	110
291	C	32.3	Very low	35.7	Very low	123 Å²	123	136.3 Å²	136.3	83%	0.831	82%	0.824	S	S	*	*			trans	-120.5	76.9	158.3	-151	0	0	0	0	107.4
292	G	33.6	Very low	35.6	Very low	67 Å²	67	137 Å²	137	69%	0.691	83%	0.831	S	S	*	*			trans	-83.6	120.5	172.6	0	0	0	0	0	109.7	L294	G292-L294 PolarHBondContact O-N 3.14Å
293	S	32.7	Very low	35.6	Very low	128 Å²	128	130 Å²	130	90%	0.895	82%	0.822	S	S	*	*			trans	-57.3	117.4	163.4	-64.7	0	0	0	0	109.9
294	L	36.1	Very low	35.8	Very low	165 Å²	165	134.3 Å²	134.3	86%	0.864	83%	0.828	S	S	*	*			trans	-143.2	79.8	167.4	-149	138.2	0	0	0	109.5	G292	G292-L294 PolarHBondContact O-N 3.14Å
295	E	33.1	Very low	35.8	Very low	201 Å²	201	136.7 Å²	136.7	94%	0.939	83%	0.826	S	S	*	*			trans	-107.5	96.1	165.9	-133.9	-170.3	123.7	0	0	108.1
296	R	33.6	Very low	36	Very low	228 Å²	228	136.4 Å²	136.4	86%	0.86	82%	0.822	S	S	*	*			trans	-155.4	116.7	158.9	-168.9	169.3	-82.1	164.8	-4.1	111.7
297	A	35.3	Very low	36.2	Very low	87 Å²	87	144.1 Å²	144.1	72%	0.719	83%	0.833	S	S	*	*			trans	69.4	111.9	152.2	0	0	0	0	0	119
298	Q	37.2	Very low	35.9	Very low	202 Å²	202	146.2 Å²	146.2	94%	0.944	83%	0.83	S	S	*	*				-157.3	114.6	126.9	-103.2	165.6	32	0	0	109.4
299	G	31.5	Very low	36.2	Very low	82 Å²	82	146.7 Å²	146.7	85%	0.845	83%	0.833	S	S	*	*			trans	-94.3	139.2	167.8	0	0	0	0	0	110.5
300	A	38.7	Very low	36.3	Very low	99 Å²	99	149.1 Å²	149.1	82%	0.818	83%	0.831	S	S	*	*			trans	-164.1	101.4	155	0	0	0	0	0	111.3
301	K	39.3	Very low	36.2	Very low	208 Å²	208	155 Å²	155	90%	0.904	84%	0.836	S	S	*	*			trans	23	115.3	138.9	-60.9	177.7	178.6	178.2	0	119.6
302	S	39.7	Very low	36.6	Very low	126 Å²	126	160.4 Å²	160.4	88%	0.881	84%	0.839	S	S	*	*				-176.7	131.7	124.4	50.5	0	0	0	0	106.3
303	G	35	Very low	36.7	Very low	74 Å²	74	166.6 Å²	166.6	76%	0.763	85%	0.85	S	S	*	*			cis	104.2	58.3	30.5	0	0	0	0	0	109.9
304	L	39.5	Very low	36.9	Very low	160 Å²	160	164.4 Å²	164.4	84%	0.838	85%	0.848	S	S	*	*			trans	-150.6	111.3	160.7	-155.2	65.8	0	0	0	113.1
305	E	36.3	Very low	37	Very low	161 Å²	161	161.7 Å²	161.7	75%	0.752	84%	0.843	S	S	*	*			trans	-70.6	124.8	172	-178.9	-165.5	137.6	0	0	111.2
306	K	39.4	Very low	37.4	Very low	189 Å²	189	161.4 Å²	161.4	82%	0.822	84%	0.844	S	S	*	*			trans	-145.8	97.3	157.1	-77	-165.1	-179.2	171.7	0	112.6
307	R	38.2	Very low	37.8	Very low	220 Å²	220	156 Å²	156	83%	0.83	84%	0.835	S	S	*	*			trans	22.7	119.3	135.5	-63.5	-179.4	174.8	178.7	-3.6	119.2
308	K	30.7	Very low	38.3	Very low	190 Å²	190	158.3 Å²	158.3	83%	0.826	84%	0.841	S	S	*	*			trans	-65.1	141.5	158.4	-175.3	-178.3	-175.2	-175.6	0	111.5
309	P	43.8	Very low	38.2	Very low	120 Å²	120	155.6 Å²	155.6	78%	0.779	83%	0.833	S	S	*	*			trans	-109.4	122.2	153.9	31.4	-20.2	0	0	0	110.8
310	E	36.6	Very low	39.1	Very low	177 Å²	177	157.9 Å²	157.9	83%	0.827	84%	0.836	S	S	*	*			trans	-71.1	125.1	165	-164.6	179.8	129.9	0	0	108.6
311	R	38.1	Very low	39.3	Very low	247 Å²	247	162.1 Å²	162.1	93%	0.932	84%	0.836	S	S	*	*			trans	-108.6	111.6	175.1	-162.5	172.3	-176.5	162.9	0.1	110.2
312	R	40.8	Very low	39.6	Very low	237 Å²	237	157.3 Å²	157.3	89%	0.894	83%	0.828	S	S	*	*			trans	-26.7	135.7	169.5	-77.7	171.2	159.2	157.8	-6.4	116.9
313	E	35.4	Very low	39.8	Very low	198 Å²	198	156.4 Å²	156.4	93%	0.925	83%	0.829	S	S	*	*			trans	-54.3	134.9	152.4	-63.2	179.8	149	0	0	111.2
314	G	37.2	Very low	40.1	Very low	82 Å²	82	161.6 Å²	161.6	85%	0.845	83%	0.83	S	S	*	*			trans	-119.5	91.1	168.1	0	0	0	0	0	109.3
315	S	37.9	Very low	40.7	Very low	107 Å²	107	162.4 Å²	162.4	75%	0.748	83%	0.832	S	S	*	*			trans	-90.4	118.5	162.8	173.6	0	0	0	0	107.9
316	M	40.7	Very low	40.8	Very low	196 Å²	196	161.4 Å²	161.4	97%	0.966	83%	0.832	S	S	*	*			trans	-112.3	100.7	167.2	-111.6	-179.7	155.2	0	0	108.7
317	V	41.7	Very low	41	Very low	113 Å²	113	157.7 Å²	157.7	69%	0.685	83%	0.83	S	S	*	*			trans	-81.9	132.5	157.5	170.9	0	0	0	0	106.9
318	T	47.4	Very low	41.1	Very low	136 Å²	136	153 Å²	153	83%	0.834	83%	0.831	S	S	*	*			trans	-169.1	129.5	130.1	43.5	0	0	0	0	112.6
319	N	33.4	Very low	41.7	Very low	145 Å²	145	149.5 Å²	149.5	78%	0.775	83%	0.83	S	S	*	*			trans	-23.7	144.6	161.7	-78.4	-38.5	0	0	0	117.9
320	S	51.3	Low	41.8	Very low	130 Å²	130	148.6 Å²	148.6	91%	0.909	83%	0.827	S	S	*	*			trans	-144.5	127.3	130.2	-76.3	0	0	0	0	110
321	K	42.7	Very low	42.2	Very low	189 Å²	189	151 Å²	151	82%	0.822	83%	0.828	S	S	*	*			trans	-104.7	149.2	-168.4	-156.2	-178.4	-175.3	172.9	0	107.6
322	S	44.9	Very low	42.3	Very low	106 Å²	106	147 Å²	147	74%	0.741	83%	0.825	S	S	*	*			trans	79.1	114.4	152.4	-25.9	0	0	0	0	118.7
323	A	44	Very low	42.2	Very low	108 Å²	108	139 Å²	139	89%	0.893	82%	0.817	S	S	*	*				-162	125.4	126.3	0	0	0	0	0	109.9
324	K	41.6	Very low	42.6	Very low	183 Å²	183	137.4 Å²	137.4	80%	0.796	81%	0.814	S	S	*	*			trans	-108.5	129.1	179	-172.3	177.6	-175.9	177.5	0	105.9
325	M	52.5	Low	43.1	Very low	177 Å²	177	140.9 Å²	140.9	87%	0.872	81%	0.813	S	S	*	*			trans	-140.7	107.8	164.1	-79.7	-160.9	-167.8	0	0	109.5
326	D	39.1	Very low	43.2	Very low	139 Å²	139	145.2 Å²	145.2	74%	0.743	82%	0.818	S	S	*	*			trans	-85.4	138.7	156.9	-62	-54.6	0	0	0	107.4
327	S	44	Very low	43.4	Very low	112 Å²	112	143.1 Å²	143.1	78%	0.783	82%	0.816	S	S	*	*			trans	-146.3	100.2	172.4	-55.2	0	0	0	0	109.9
328	S	38.4	Very low	43.3	Very low	121 Å²	121	147 Å²	147	85%	0.846	82%	0.824	S	S	*	*			trans	-86	132.3	165.1	28.2	0	0	0	0	109.7
329	S	44.2	Very low	43.1	Very low	116 Å²	116	148.8 Å²	148.8	81%	0.811	83%	0.828	S	S	*	*			trans	-170.2	110	148.7	-158.9	0	0	0	0	113.1
330	S	45.4	Very low	43.3	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	83%	0.827	S	S	*	*			trans	24.5	130.9	135.1	-56.1	0	0	0	0	121.8
331	R	45	Very low	42.7	Very low	227 Å²	227	144.4 Å²	144.4	86%	0.857	82%	0.82	S	S	*	*				172.6	121.3	108.4	-93.5	168.2	-175.7	167.1	2.1	114.2
332	N	40.9	Very low	43.2	Very low	162 Å²	162	143.2 Å²	143.2	87%	0.866	82%	0.822	S	S	*	*			trans	58.2	132.4	130.6	-60.7	-8.9	0	0	0	123.9
333	G	39.5	Very low	42.8	Very low	71 Å²	71	146.1 Å²	146.1	73%	0.732	83%	0.829	S	S	*	*			trans	137.8	87.4	146.5	0	0	0	0	0	114.7
334	L	43.8	Very low	42.7	Very low	164 Å²	164	144.7 Å²	144.7	86%	0.859	83%	0.826	S	S	*	*				69.3	113.7	96.4	-146.6	81.7	0	0	0	112
335	L	46.3	Very low	42.6	Very low	155 Å²	155	145.5 Å²	145.5	81%	0.812	83%	0.832	S	S	*	*				-166.6	142.9	59.5	-81.1	158.7	0	0	0	110.2
336	K	40.5	Very low	42.2	Very low	198 Å²	198	141.6 Å²	141.6	86%	0.861	83%	0.828	S	S	*	*			trans	-88.1	144.3	163.4	-86.3	168.2	171.7	165.9	0	109.5
337	T	44.1	Very low	42.5	Very low	151 Å²	151	143.2 Å²	143.2	93%	0.926	84%	0.836	S	S	*	*			trans	-134.2	119	144.3	49.8	0	0	0	0	110.1
338	K	41.1	Very low	42.5	Very low	196 Å²	196	142.2 Å²	142.2	85%	0.852	83%	0.829	S	S	*	*			trans	-105.4	136	161	-91.4	-178.5	170.1	-178.2	0	105.8
339	N	41.8	Very low	43.2	Very low	172 Å²	172	145.3 Å²	145.3	92%	0.92	83%	0.83	S	S	*	*			trans	-165.2	125.3	151.8	-85.2	-18.2	0	0	0	103.7
340	G	38.4	Very low	43.2	Very low	73 Å²	73	147.5 Å²	147.5	75%	0.753	83%	0.832	S	S	*	*			cis	102.6	119.7	28.4	0	0	0	0	0	109.1
341	S	39.3	Very low	43.8	Very low	110 Å²	110	150 Å²	150	77%	0.769	84%	0.837	S	S	*	*			trans	96.7	108.3	158.9	-88.5	0	0	0	0	122.2
342	L	51.8	Low	44.3	Very low	164 Å²	164	145 Å²	145	86%	0.859	83%	0.834	S	S	*	*				108.5	125.8	115.2	-69.8	166.6	0	0	0	120
343	N	37.5	Very low	45	Very low	167 Å²	167	142 Å²	142	89%	0.893	83%	0.832	S	S	*	*			trans	-58.6	146.6	172.2	-74.5	-22.6	0	0	0	113.3
344	G	41.9	Very low	45.7	Very low	79 Å²	79	149.3 Å²	149.3	81%	0.814	84%	0.837	S	S	*	*			trans	-153.8	110.2	160.6	0	0	0	0	0	109.9
345	Q	40	Very low	46.6	Very low	200 Å²	200	146.5 Å²	146.5	94%	0.935	83%	0.829	S	S	*	*			trans	-72.9	138.3	174.9	-66.2	165.9	-53.2	0	0	111
346	A	43.4	Very low	47.6	Very low	95 Å²	95	145.1 Å²	145.1	79%	0.785	83%	0.83	S	S	*	*			trans	-168.2	98.5	148.4	0	0	0	0	0	108.3
347	L	45.3	Very low	49	Very low	172 Å²	172	139.8 Å²	139.8	90%	0.901	82%	0.822	S	S	*	*				61	95.9	95	-107.2	143.7	0	0	0	115.3
348	S	43.4	Very low	50.3	Low	92 Å²	92	142 Å²	142	64%	0.643	82%	0.819	S	S	*	*			trans	52.2	121.1	137.8	-155.2	0	0	0	0	119.9
349	Q	53	Low	52	Low	186 Å²	186	137 Å²	137	87%	0.869	81%	0.806	S	S	*	*				-164.7	128.3	113.1	-99.4	164.4	33.6	0	0	111.9	L351	Q349-L351 PolarHBondContact O-N 2.79Å
350	N	45.3	Very low	53.9	Low	161 Å²	161	132.5 Å²	132.5	86%	0.861	79%	0.789	S	S	*	*			trans	-54.8	122.4	173.6	-90.5	-67.4	0	0	0	111.9
351	L	57.6	Low	56.3	Low	155 Å²	155	137.5 Å²	137.5	81%	0.812	79%	0.789	S	S	*	*			trans	-134.4	140.1	162	-82.4	162.5	0	0	0	108.8	Q349 A353	Q349-L351 PolarHBondContact O-N 2.79Å; L351-A353 PolarHBondContact O-N 3.46Å
352	P	56.3	Low	58.7	Low	121 Å²	121	137.7 Å²	137.7	79%	0.786	78%	0.778	S	S	*	*			trans	-64.4	134.1	-166.2	25.9	-32.9	0	0	0	111.1	R354	P352-R354 PolarHBondContact O-N 2.94Å; P352-R354 VanDerWaalsContact O-N 3.09Å
353	A	54	Low	60.5	Low	101 Å²	101	132.2 Å²	132.2	84%	0.835	76%	0.756	S	S	*	*			trans	-55.1	114.5	-179.3	0	0	0	0	0	110.8	L351	L351-A353 PolarHBondContact O-N 3.46Å
354	R	55.6	Low	62.9	Low	223 Å²	223	128.7 Å²	128.7	84%	0.842	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-58.9	132.2	171.3	-165.5	177.7	-157.8	-132.8	4.2	108.3	P352	P352-R354 PolarHBondContact O-N 2.94Å; P352-R354 VanDerWaalsContact O-N 3.09Å
355	P	62.7	Low	65.2	Low	106 Å²	106	129.6 Å²	129.6	69%	0.688	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-56.8	142.1	176.2	22.9	-32.2	0	0	0	109.6	A357	P355-A357 PolarHBondContact O-N 3.46Å
356	P	67.5	Low	67.6	Low	126 Å²	126	124 Å²	124	82%	0.818	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-59	126.5	-176.8	23.9	-32.5	0	0	0	109.4	K358	P356-K358 PolarHBondContact O-N 2.86Å
357	A	68.5	Low	69.8	Low	85 Å²	85	122.1 Å²	122.1	70%	0.702	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-57	135.4	175.1	0	0	0	0	0	109.2	P355	P355-A357 PolarHBondContact O-N 3.46Å
358	K	72.5	Confident	72	Confident	198 Å²	198	119.8 Å²	119.8	86%	0.861	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-51.7	131.2	176.4	-69.4	-179.4	-179.6	179.1	0	108.9	P356 S360	P356-K358 PolarHBondContact O-N 2.86Å; K358-S360 PolarHBondContact O-N 2.9Å
359	P	75.4	Confident	74.3	Confident	91 Å²	91	119.7 Å²	119.7	59%	0.591	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-59.3	137.7	-178.4	23.2	-31.8	0	0	0	110	A363	P359-A363 HydrophobicContact CB-CB 4.05Å
360	S	83.1	Confident	76.1	Confident	78 Å²	78	120 Å²	120	55%	0.545	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-51.7	145.4	169	155.1	0	0	0	0	110	K358 H362 A363 E364	K358-S360 PolarHBondContact O-N 2.9Å; S360-H362 PolarHBondContact O-N 3.02Å; S360-H362 PolarHBondContact OG-N 3.35Å; S360-A363 WeakPolarHBondContact O-CA 3.39Å; S360-A363 WeakPolarHBondContact O-CB 3.4Å; S360-A363 PolarHBondContact O-N 3.07Å; S360-E364 PolarHBondContact O-N 3.29Å; S360-E364 VanDerWaalsContact O-N 3.11Å
361	K	87.9	Confident	78.3	Confident	177 Å²	177	118.4 Å²	118.4	77%	0.77	63%	0.634	S	S	*	*	H	α-helix	trans	-47.9	-36	173.9	-75.7	-175.7	177.2	178.9	0	112	E364 I365	K361-E364 PolarHBondContact O-N 3.26Å; K361-I365 VanDerWaalsContact O-CG1 3.3Å; K361-I365 WeakPolarHBondContact O-CG1 3.32Å; K361-I365 PolarHBondContact O-N 3.36Å; K361-I365 VanDerWaalsContact O-N 3.08Å
362	H	89.9	Confident	79.6	Confident	114 Å²	114	113.9 Å²	113.9	53%	0.528	62%	0.615	S	S	.	*	H	α-helix	trans	-66.9	-40.9	176.5	-175.8	-9.8	0	0	0	112.3	S360 E364 I365 M366	S360-H362 PolarHBondContact O-N 3.02Å; S360-H362 PolarHBondContact OG-N 3.35Å; H362-E364 VanDerWaalsContact C-N 3.29Å; H362-E364 PolarHBondContact O-N 3.46Å; H362-I365 PolarHBondContact O-N 2.81Å; H362-M366 WeakPolarHBondContact CE1-CE 3.26Å; H362-M366 WeakPolarHBondContact CE1-CG 3.38Å; H362-M366 WeakPolarHBondContact ND1-CG 3.48Å; H362-M366 WeakPolarHBondContact O-CG 3.4Å; H362-M366 PolarHBondContact O-N 2.94Å
363	A	89.3	Confident	81.1	Confident	49 Å²	49	112.7 Å²	112.7	41%	0.405	60%	0.601	S	S	.	*	H	α-helix	trans	-64.3	-36.3	177	0	0	0	0	0	111.5	P359 S360 M366 A367	P359-A363 HydrophobicContact CB-CB 4.05Å; S360-A363 WeakPolarHBondContact O-CA 3.39Å; S360-A363 WeakPolarHBondContact O-CB 3.4Å; S360-A363 PolarHBondContact O-N 3.07Å; A363-M366 PolarHBondContact O-N 3.49Å; A363-A367 WeakPolarHBondContact O-CB 3.42Å; A363-A367 PolarHBondContact O-N 2.88Å
364	E	89.1	Confident	82.7	Confident	94 Å²	94	114.8 Å²	114.8	44%	0.439	59%	0.592	S	S	.	*	H	α-helix	trans	-66.9	-42.3	175	-159.2	-170.3	145.3	0	0	112.3	S360 K361 H362 M366 A367 K368	S360-E364 PolarHBondContact O-N 3.29Å; S360-E364 VanDerWaalsContact O-N 3.11Å; K361-E364 PolarHBondContact O-N 3.26Å; H362-E364 VanDerWaalsContact C-N 3.29Å; H362-E364 PolarHBondContact O-N 3.46Å; E364-M366 VanDerWaalsContact C-N 3.34Å; E364-M366 PolarHBondContact O-N 3.29Å; E364-A367 PolarHBondContact O-N 3.44Å; E364-K368 PolarHBondContact O-N 2.93Å; E364-K368 IonicContact OE1-NZ 2.75Å; E364-K368 PolarHBondContact OE1-NZ 3.04Å
365	I	90.2	Very high	83.9	Confident	98 Å²	98	109.9 Å²	109.9	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-62.2	-42.7	174.9	-67.8	164.6	0	0	0	110.7	K361 H362 K368 L369	K361-I365 VanDerWaalsContact O-CG1 3.3Å; K361-I365 WeakPolarHBondContact O-CG1 3.32Å; K361-I365 PolarHBondContact O-N 3.36Å; K361-I365 VanDerWaalsContact O-N 3.08Å; H362-I365 PolarHBondContact O-N 2.81Å; I365-K368 PolarHBondContact O-N 3.03Å; I365-L369 HydrophobicContact CG2-CD1 4.13Å; I365-L369 WeakPolarHBondContact O-CG 3.46Å; I365-L369 PolarHBondContact O-N 2.89Å
366	M	89.8	Confident	84.6	Confident	83 Å²	83	109 Å²	109	41%	0.409	57%	0.57	S	S	.	*	H	α-helix	trans	-69.2	-32.9	178.4	-70.7	-65.8	155.5	0	0	112.7	H362 A363 E364 L369 R370	H362-M366 WeakPolarHBondContact CE1-CE 3.26Å; H362-M366 WeakPolarHBondContact CE1-CG 3.38Å; H362-M366 WeakPolarHBondContact ND1-CG 3.48Å; H362-M366 WeakPolarHBondContact O-CG 3.4Å; H362-M366 PolarHBondContact O-N 2.94Å; A363-M366 PolarHBondContact O-N 3.49Å; E364-M366 VanDerWaalsContact C-N 3.34Å; E364-M366 PolarHBondContact O-N 3.29Å; M366-L369 HydrophobicContact CE-CD1 4.2Å; M366-L369 HydrophobicContact SD-CD1 4.06Å; M366-R370 WeakPolarHBondContact O-CG 3.37Å; M366-R370 PolarHBondContact O-N 2.9Å; M366-R370 VanDerWaalsContact O-N 3.16Å
367	A	90.5	Very high	85.3	Confident	54 Å²	54	110.9 Å²	110.9	45%	0.446	57%	0.566	S	S	.	*	H	α-helix	trans	-65.6	-46.7	172.2	0	0	0	0	0	111.5	A363 E364 L369 R370 E371	A363-A367 WeakPolarHBondContact O-CB 3.42Å; A363-A367 PolarHBondContact O-N 2.88Å; E364-A367 PolarHBondContact O-N 3.44Å; A367-L369 VanDerWaalsContact C-N 3.34Å; A367-L369 PolarHBondContact O-N 3.21Å; A367-R370 PolarHBondContact O-N 3.46Å; A367-E371 PolarHBondContact O-N 3.46Å; A367-E371 VanDerWaalsContact O-N 3.07Å
368	K	91.6	Very high	85.6	Confident	123 Å²	123	112.5 Å²	112.5	54%	0.535	56%	0.563	S	S	.	*	H	α-helix	trans	-59.9	-40.4	176	-79.1	170.8	170.5	159.2	0	112.6	E364 I365 E371 S372	E364-K368 PolarHBondContact O-N 2.93Å; E364-K368 IonicContact OE1-NZ 2.75Å; E364-K368 PolarHBondContact OE1-NZ 3.04Å; I365-K368 PolarHBondContact O-N 3.03Å; K368-E371 PolarHBondContact O-N 2.85Å; K368-S372 PolarHBondContact O-N 2.99Å
369	L	90.9	Very high	85.5	Confident	90 Å²	90	112.5 Å²	112.5	47%	0.471	56%	0.558	S	S	.	*	H	α-helix	trans	-63.8	-42.2	175.6	-76.3	166.9	0	0	0	112.3	I365 M366 A367 E371 S372 I373	I365-L369 HydrophobicContact CG2-CD1 4.13Å; I365-L369 WeakPolarHBondContact O-CG 3.46Å; I365-L369 PolarHBondContact O-N 2.89Å; M366-L369 HydrophobicContact CE-CD1 4.2Å; M366-L369 HydrophobicContact SD-CD1 4.06Å; A367-L369 VanDerWaalsContact C-N 3.34Å; A367-L369 PolarHBondContact O-N 3.21Å; L369-E371 VanDerWaalsContact C-N 3.35Å; L369-E371 PolarHBondContact O-N 3.43Å; L369-S372 PolarHBondContact O-N 3.19Å; L369-I373 WeakPolarHBondContact O-CD1 3.43Å; L369-I373 VanDerWaalsContact O-CG1 3.29Å; L369-I373 WeakPolarHBondContact O-CG1 3.31Å; L369-I373 PolarHBondContact O-N 3Å; L369-I373 VanDerWaalsContact O-N 3.12Å
370	R	90.6	Very high	85.2	Confident	192 Å²	192	113.5 Å²	113.5	73%	0.725	56%	0.564	S	S	*	*	H	α-helix	trans	-64.6	-38.6	177.7	-73.3	173.5	-176.7	170.4	1.7	112.3	M366 A367 K374	M366-R370 WeakPolarHBondContact O-CG 3.37Å; M366-R370 PolarHBondContact O-N 2.9Å; M366-R370 VanDerWaalsContact O-N 3.16Å; A367-R370 PolarHBondContact O-N 3.46Å; R370-K374 PolarHBondContact O-N 2.94Å
371	E	90.8	Very high	83.8	Confident	129 Å²	129	119.6 Å²	119.6	60%	0.603	58%	0.58	S	S	*	*	H	α-helix	trans	-66.5	-44.5	177.1	-167.6	177.3	-177	0	0	111.9	A367 K368 L369 I373 K374 L375	A367-E371 PolarHBondContact O-N 3.46Å; A367-E371 VanDerWaalsContact O-N 3.07Å; K368-E371 PolarHBondContact O-N 2.85Å; L369-E371 VanDerWaalsContact C-N 3.35Å; L369-E371 PolarHBondContact O-N 3.43Å; E371-I373 VanDerWaalsContact C-N 3.32Å; E371-I373 PolarHBondContact O-N 3.36Å; E371-K374 WeakPolarHBondContact O-CB 3.4Å; E371-K374 PolarHBondContact O-N 3.3Å; E371-K374 VanDerWaalsContact O-N 3.13Å; E371-L375 PolarHBondContact O-N 2.66Å; E371-L375 VanDerWaalsContact O-N 3.11Å
372	S	86.5	Confident	82.1	Confident	60 Å²	60	120.6 Å²	120.6	42%	0.42	59%	0.585	S	S	.	*	H	α-helix	trans	-62	-37.6	176.5	-173.7	0	0	0	0	112.9	K368 L369 K374 D376	K368-S372 PolarHBondContact O-N 2.99Å; L369-S372 PolarHBondContact O-N 3.19Å; S372-K374 VanDerWaalsContact C-N 3.31Å; S372-D376 PolarHBondContact O-N 3.19Å
373	I	86.9	Confident	80	Confident	95 Å²	95	122.8 Å²	122.8	49%	0.487	60%	0.596	S	S	.	*	H	α-helix	trans	-68.1	-33	177.2	-67.6	165.2	0	0	0	111	L369 E371 K377	L369-I373 WeakPolarHBondContact O-CD1 3.43Å; L369-I373 VanDerWaalsContact O-CG1 3.29Å; L369-I373 WeakPolarHBondContact O-CG1 3.31Å; L369-I373 PolarHBondContact O-N 3Å; L369-I373 VanDerWaalsContact O-N 3.12Å; E371-I373 VanDerWaalsContact C-N 3.32Å; E371-I373 PolarHBondContact O-N 3.36Å; I373-K377 WeakPolarHBondContact O-CG 3.46Å; I373-K377 PolarHBondContact O-N 3.29Å
374	K	87.2	Confident	77.7	Confident	146 Å²	146	126.7 Å²	126.7	64%	0.635	61%	0.614	S	S	*	*	H	α-helix	trans	-69.5	-42.8	177.7	-160.5	178.4	179.1	-170.6	0	111.3	R370 E371 S372 D376 K377 D378	R370-K374 PolarHBondContact O-N 2.94Å; E371-K374 WeakPolarHBondContact O-CB 3.4Å; E371-K374 PolarHBondContact O-N 3.3Å; E371-K374 VanDerWaalsContact O-N 3.13Å; S372-K374 VanDerWaalsContact C-N 3.31Å; K374-D376 PolarHBondContact O-N 2.77Å; K374-K377 PolarHBondContact O-N 3.31Å; K374-D378 PolarHBondContact O-N 3.27Å
375	L	81.9	Confident	75.5	Confident	120 Å²	120	131.8 Å²	131.8	63%	0.628	64%	0.635	S	S	*	*	H	α-helix	trans	-63.4	-37.9	176.6	-72.8	171.4	0	0	0	113.4	E371 K377 D378	E371-L375 PolarHBondContact O-N 2.66Å; E371-L375 VanDerWaalsContact O-N 3.11Å; L375-K377 VanDerWaalsContact C-N 3.32Å; L375-K377 PolarHBondContact O-N 2.92Å; L375-D378 PolarHBondContact O-N 2.95Å
376	D	77.3	Confident	73.6	Confident	86 Å²	86	131.8 Å²	131.8	46%	0.46	64%	0.643	S	S	.	*	H	α-helix	trans	-71.7	-25.6	177.8	-85.6	-16.3	0	0	0	112.7	S372 K374 K394	S372-D376 PolarHBondContact O-N 3.19Å; K374-D376 PolarHBondContact O-N 2.77Å; D376-K394 IonicContact OD1-NZ 3.97Å; D376-K394 PolarHBondContact OD1-NZ 3.22Å; D376-K394 IonicContact OD2-NZ 3.67Å; D376-K394 PolarHBondContact OD2-NZ 3.17Å
377	K	81.3	Confident	71.6	Confident	166 Å²	166	137.7 Å²	137.7	72%	0.722	66%	0.661	S	S	*	*	H	α-helix	trans	-75.1	-30.8	175.6	-77	179.5	177.9	-176.7	0	113.2	I373 K374 L375	I373-K377 WeakPolarHBondContact O-CG 3.46Å; I373-K377 PolarHBondContact O-N 3.29Å; K374-K377 PolarHBondContact O-N 3.31Å; L375-K377 VanDerWaalsContact C-N 3.32Å; L375-K377 PolarHBondContact O-N 2.92Å
378	D	74.6	Confident	69.4	Low	119 Å²	119	143.8 Å²	143.8	64%	0.636	68%	0.684	S	S	*	*	S	Bend	trans	-90.3	1.5	-176.6	-67.2	-27.4	0	0	0	113.5	K374 L375 P380	K374-D378 PolarHBondContact O-N 3.27Å; L375-D378 PolarHBondContact O-N 2.95Å; D378-P380 VanDerWaalsContact O-CD 3.3Å; D378-P380 WeakPolarHBondContact O-CD 3.25Å
379	R	70.2	Confident	66.7	Low	199 Å²	199	141.2 Å²	141.2	75%	0.751	69%	0.692	S	S	*	*			trans	-75.1	116.4	-180	-164.7	174.8	-178.1	-142.9	0	111.4
380	P	70	Confident	64.7	Low	112 Å²	112	143.8 Å²	143.8	73%	0.727	71%	0.706	S	S	*	*			trans	-70.4	131.1	-174	26.3	-33.3	0	0	0	112.9	D378 K382	D378-P380 VanDerWaalsContact O-CD 3.3Å; D378-P380 WeakPolarHBondContact O-CD 3.25Å; P380-K382 PolarHBondContact O-N 2.8Å
381	K	53.2	Low	62.7	Low	205 Å²	205	140.6 Å²	140.6	89%	0.891	71%	0.71	S	S	*	*			trans	-83.3	84	175.4	-64.1	178	-178.1	176.8	0	110.8
382	K	53.4	Low	60.3	Low	198 Å²	198	141.2 Å²	141.2	86%	0.861	72%	0.718	S	S	*	*			trans	-139.3	85.4	169.2	-75.5	-174.1	179.6	178.7	0	110.8	P380	P380-K382 PolarHBondContact O-N 2.8Å
383	E	44.5	Very low	58	Low	161 Å²	161	143.9 Å²	143.9	75%	0.752	73%	0.734	S	S	*	*			trans	-169.3	87.2	142.9	-154.4	157.9	-161.3	0	0	108.2
384	V	41.5	Very low	55.7	Low	131 Å²	131	145.9 Å²	145.9	79%	0.794	74%	0.739	S	S	*	*			trans	-104.9	103.7	-179.1	172.8	0	0	0	0	107.3
385	K	42.4	Very low	53.4	Low	200 Å²	200	145.6 Å²	145.6	87%	0.87	75%	0.749	S	S	*	*	S	Bend	trans	156.3	9.5	143.5	-97.1	162.3	171.5	172.2	0	118.2
386	S	50.9	Low	51.6	Low	98 Å²	98	147 Å²	147	69%	0.685	76%	0.757	S	S	*	*	S	Bend	trans	-119.8	9.2	174.9	59.2	0	0	0	0	115.7
387	R	48.2	Very low	49.6	Very low	208 Å²	208	149.5 Å²	149.5	79%	0.785	78%	0.775	S	S	*	*			trans	-133	74.5	-175.6	-61.4	-171.5	-169.1	-149.1	3.7	112.2
388	I	42.5	Very low	47.7	Very low	181 Å²	181	145.7 Å²	145.7	93%	0.928	78%	0.775	S	S	*	*	S	Bend	trans	-108.9	101.3	161.8	-62.9	170	0	0	0	104.8
389	G	36.2	Very low	46.3	Very low	69 Å²	69	145.3 Å²	145.3	71%	0.711	78%	0.779	S	S	*	*	S	Bend	trans	150	2.5	173.8	0	0	0	0	0	118.7
390	L	49.5	Very low	45.3	Very low	145 Å²	145	139.7 Å²	139.7	76%	0.759	77%	0.768	S	S	*	*			trans	-129.1	114.4	-179.3	-81.9	156	0	0	0	112.4
391	P	48.5	Very low	44.4	Very low	124 Å²	124	138.9 Å²	138.9	81%	0.805	76%	0.761	S	S	*	*			trans	-72.7	148.7	173.5	27.8	-29.1	0	0	0	112.2
392	N	39.3	Very low	44.5	Very low	142 Å²	142	140 Å²	140	76%	0.759	76%	0.76	S	S	*	*			trans	-70.8	136.6	-162.2	-159.8	10.8	0	0	0	114.1	K394	N392-K394 PolarHBondContact O-N 2.82Å
393	P	39.5	Very low	44.5	Very low	117 Å²	117	133.4 Å²	133.4	76%	0.76	74%	0.742	S	S	*	*	S	Bend	trans	-92.2	83.6	-176.5	35.6	-30.6	0	0	0	111.2
394	K	37.5	Very low	45	Very low	136 Å²	136	126.7 Å²	126.7	59%	0.591	72%	0.715	S	S	*	*			trans	-156	80	161	-67.3	-165.7	-168.8	-179	0	110.5	D376 N392	D376-K394 IonicContact OD1-NZ 3.97Å; D376-K394 PolarHBondContact OD1-NZ 3.22Å; D376-K394 IonicContact OD2-NZ 3.67Å; D376-K394 PolarHBondContact OD2-NZ 3.17Å; N392-K394 PolarHBondContact O-N 2.82Å
395	T	38.9	Very low	45.7	Very low	140 Å²	140	124.3 Å²	124.3	86%	0.859	70%	0.695	S	S	*	*			trans	-137.8	123	159.2	-42.7	0	0	0	0	109.2
396	L	43.3	Very low	46.6	Very low	151 Å²	151	121.5 Å²	121.5	79%	0.791	68%	0.683	S	S	*	*			trans	-56.1	135.7	179.6	-70.9	91.4	0	0	0	111.9	A398	L396-A398 PolarHBondContact O-N 2.79Å; L396-A398 VanDerWaalsContact O-N 3.15Å
397	T	35.6	Very low	47.1	Very low	138 Å²	138	122.2 Å²	122.2	85%	0.847	68%	0.675	S	S	*	*			trans	25.9	75.8	145.8	52.4	0	0	0	0	116.3
398	A	42.1	Very low	47.8	Very low	85 Å²	85	114.3 Å²	114.3	70%	0.702	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-93.6	144.6	153.1	0	0	0	0	0	108.3	L396	L396-A398 PolarHBondContact O-N 2.79Å; L396-A398 VanDerWaalsContact O-N 3.15Å
399	P	45.5	Very low	48.9	Very low	112 Å²	112	111.6 Å²	111.6	73%	0.727	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-56.8	144.9	174.4	25.2	-32.1	0	0	0	109.4	T401	P399-T401 PolarHBondContact O-N 2.91Å; P399-T401 VanDerWaalsContact O-N 3.09Å
400	P	48.3	Very low	50.5	Low	80 Å²	80	114.9 Å²	114.9	52%	0.519	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-57.2	123.3	-177.1	26.2	-34	0	0	0	108.6	E405	P400-E405 HydrophobicContact CB-CG 3.9Å; P400-E405 HydrophobicContact CG-CG 4.07Å
401	T	51.2	Low	51.4	Low	95 Å²	95	110.7 Å²	110.7	58%	0.583	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-60.4	143.7	172.4	55.4	0	0	0	0	107.8	P399 A403 A404 E405	P399-T401 PolarHBondContact O-N 2.91Å; P399-T401 VanDerWaalsContact O-N 3.09Å; T401-A403 PolarHBondContact O-N 3.14Å; T401-A404 PolarHBondContact O-N 3.03Å; T401-E405 PolarHBondContact O-N 2.66Å
402	R	55.3	Low	52.3	Low	228 Å²	228	105 Å²	105	86%	0.86	56%	0.562	S	S	*	*	H	α-helix	trans	-50.1	-24.3	178.3	-75.5	-177.7	173.3	178.4	-2.5	113.4	K406	R402-K406 WeakPolarHBondContact O-CB 3.45Å; R402-K406 PolarHBondContact O-N 3.22Å
403	A	54.2	Low	53.7	Low	60 Å²	60	101.4 Å²	101.4	50%	0.496	54%	0.543	S	S	.	.	H	α-helix	trans	-68.4	-46.2	173.6	0	0	0	0	0	113.2	T401 E405 K406 E407	T401-A403 PolarHBondContact O-N 3.14Å; A403-E405 VanDerWaalsContact C-N 3.33Å; A403-E405 PolarHBondContact O-N 2.86Å; A403-K406 WeakPolarHBondContact O-CB 3.45Å; A403-K406 PolarHBondContact O-N 2.82Å; A403-K406 VanDerWaalsContact O-N 3.14Å; A403-E407 PolarHBondContact O-N 3.35Å
404	A	54.3	Low	55.4	Low	21 Å²	21	101.2 Å²	101.2	17%	0.174	53%	0.53	C	S	.	.	H	α-helix	trans	-67.6	-31.7	180	0	0	0	0	0	112.8	T401 N408	T401-A404 PolarHBondContact O-N 3.03Å; A404-N408 VanDerWaalsContact O-CG 3.26Å; A404-N408 PolarHBondContact O-N 3.3Å; A404-N408 PolarHBondContact O-ND2 2.84Å
405	E	57.3	Low	57.1	Low	80 Å²	80	95 Å²	95	37%	0.374	50%	0.504	S	S	.	.	H	α-helix	trans	-70.1	-36.1	171.8	-64.2	-171.7	145.9	0	0	112	P400 T401 A403 R409	P400-E405 HydrophobicContact CB-CG 3.9Å; P400-E405 HydrophobicContact CG-CG 4.07Å; T401-E405 PolarHBondContact O-N 2.66Å; A403-E405 VanDerWaalsContact C-N 3.33Å; A403-E405 PolarHBondContact O-N 2.86Å; E405-R409 WeakPolarHBondContact O-CB 3.35Å; E405-R409 PolarHBondContact O-N 3.34Å; E405-R409 VanDerWaalsContact O-N 3.07Å
406	K	59.9	Low	58.6	Low	142 Å²	142	88.5 Å²	88.5	62%	0.617	46%	0.464	S	S	*	.	H	α-helix	trans	-68.6	-38.1	177.9	-165.6	175.3	-176.5	179.2	0	111.8	R402 A403 R409 K410	R402-K406 WeakPolarHBondContact O-CB 3.45Å; R402-K406 PolarHBondContact O-N 3.22Å; A403-K406 WeakPolarHBondContact O-CB 3.45Å; A403-K406 PolarHBondContact O-N 2.82Å; A403-K406 VanDerWaalsContact O-N 3.14Å; K406-R409 PolarHBondContact O-N 3Å; K406-K410 WeakPolarHBondContact O-CG 3.49Å; K406-K410 PolarHBondContact O-N 3.07Å
407	E	62.4	Low	59.9	Low	113 Å²	113	85.9 Å²	85.9	53%	0.528	45%	0.446	S	S	.	.	H	α-helix	trans	-67.7	-44.2	174.1	-74.3	175.4	175.7	0	0	112.7	A403 R409 K410 L411	A403-E407 PolarHBondContact O-N 3.35Å; E407-R409 PolarHBondContact O-N 3.16Å; E407-K410 PolarHBondContact O-N 3.21Å; E407-L411 PolarHBondContact O-N 3.09Å; E407-L411 VanDerWaalsContact O-N 3.1Å
408	N	63	Low	61.7	Low	41 Å²	41	80.4 Å²	80.4	22%	0.219	41%	0.413	C	S	.	.	H	α-helix	trans	-59.1	-37.9	175	-75.1	-19	0	0	0	111.7	A404 L411 C412 R541	A404-N408 VanDerWaalsContact O-CG 3.26Å; A404-N408 PolarHBondContact O-N 3.3Å; A404-N408 PolarHBondContact O-ND2 2.84Å; N408-L411 PolarHBondContact O-N 2.71Å; N408-C412 PolarHBondContact O-N 2.96Å; N408-C412 PolarHBondContact O-SG 3.38Å; N408-R541 PolarHBondContact OD1-NH2 3.09Å
409	R	66	Low	62.9	Low	125 Å²	125	76.9 Å²	76.9	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-63	-47	176.7	-170.8	176.6	-65.6	-97.9	-0.6	111.8	E405 K406 E407 L411 C412 D413	E405-R409 WeakPolarHBondContact O-CB 3.35Å; E405-R409 PolarHBondContact O-N 3.34Å; E405-R409 VanDerWaalsContact O-N 3.07Å; K406-R409 PolarHBondContact O-N 3Å; E407-R409 PolarHBondContact O-N 3.16Å; R409-L411 VanDerWaalsContact C-N 3.27Å; R409-L411 PolarHBondContact O-N 2.95Å; R409-C412 PolarHBondContact O-N 3.26Å; R409-D413 WeakPolarHBondContact O-CB 3.06Å; R409-D413 PolarHBondContact O-N 2.92Å
410	K	67.8	Low	63.9	Low	138 Å²	138	74.6 Å²	74.6	60%	0.6	36%	0.361	S	S	*	.	H	α-helix	trans	-58.1	-39.8	176	-69.9	179.1	177	-172	0	112.5	K406 E407 D413 F414	K406-K410 WeakPolarHBondContact O-CG 3.49Å; K406-K410 PolarHBondContact O-N 3.07Å; E407-K410 PolarHBondContact O-N 3.21Å; K410-D413 PolarHBondContact O-N 3.38Å; K410-F414 WeakPolarHBondContact O-CB 3.27Å; K410-F414 PolarHBondContact O-N 2.9Å
411	L	69.4	Low	64.9	Low	56 Å²	56	74.6 Å²	74.6	29%	0.293	36%	0.356	S	S	.	.	H	α-helix	trans	-72.9	-37.7	-178.7	-140.7	145.1	0	0	0	111.7	E407 N408 R409 L415 F486 L537	E407-L411 PolarHBondContact O-N 3.09Å; E407-L411 VanDerWaalsContact O-N 3.1Å; N408-L411 PolarHBondContact O-N 2.71Å; R409-L411 VanDerWaalsContact C-N 3.27Å; R409-L411 PolarHBondContact O-N 2.95Å; L411-L415 WeakPolarHBondContact O-CG 3.06Å; L411-L415 PolarHBondContact O-N 2.9Å; L411-F486 HydrophobicContact CD2-CD2 3.99Å; L411-F486 HydrophobicContact CD2-CE2 3.38Å; L411-F486 HydrophobicContact CD2-CZ 4.19Å; L411-L537 HydrophobicContact CD2-CB 4.28Å; L411-L537 HydrophobicContact CD2-CD1 4.01Å
412	C	67.5	Low	65.5	Low	4 Å²	4	73.3 Å²	73.3	3%	0.027	35%	0.346	C	S	.	.	H	α-helix	trans	-64.2	-44	170	-68.3	0	0	0	0	111.9	N408 R409 F414 L415 A416 C489	N408-C412 PolarHBondContact O-N 2.96Å; N408-C412 PolarHBondContact O-SG 3.38Å; R409-C412 PolarHBondContact O-N 3.26Å; C412-F414 VanDerWaalsContact C-N 3.32Å; C412-F414 PolarHBondContact O-N 3.28Å; C412-L415 PolarHBondContact O-N 3.48Å; C412-A416 WeakPolarHBondContact O-CB 3.46Å; C412-A416 PolarHBondContact O-N 3.44Å; C412-C489 HydrophobicContact CB-CB 4.32Å; C412-C489 VanDerWaalsContact SG-CB 3.58Å
413	D	69.1	Low	65.8	Low	68 Å²	68	65.4 Å²	65.4	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-61.7	-41.3	177.5	-66.2	-24.5	0	0	0	110.8	R409 K410 A416 F417	R409-D413 WeakPolarHBondContact O-CB 3.06Å; R409-D413 PolarHBondContact O-N 2.92Å; K410-D413 PolarHBondContact O-N 3.38Å; D413-A416 PolarHBondContact O-N 2.96Å; D413-F417 WeakPolarHBondContact O-CB 3.41Å; D413-F417 PolarHBondContact O-N 3.49Å
414	F	74.5	Confident	66.1	Low	113 Å²	113	64.1 Å²	64.1	50%	0.496	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-43.3	175.1	-177.5	-95.1	0	0	0	113.1	K410 C412 F417 S418	K410-F414 WeakPolarHBondContact O-CB 3.27Å; K410-F414 PolarHBondContact O-N 2.9Å; C412-F414 VanDerWaalsContact C-N 3.32Å; C412-F414 PolarHBondContact O-N 3.28Å; F414-F417 PolarHBondContact O-N 3.1Å; F414-S418 WeakPolarHBondContact O-CB 3.22Å; F414-S418 PolarHBondContact O-N 3.23Å; F414-S418 PolarHBondContact O-OG 3.2Å
415	L	73.6	Confident	66.2	Low	5 Å²	5	66.8 Å²	66.8	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-66.5	-39.7	175.9	-74.5	-176.7	0	0	0	112.2	L411 C412 S418 F419 F486 L490 I493	L411-L415 WeakPolarHBondContact O-CG 3.06Å; L411-L415 PolarHBondContact O-N 2.9Å; C412-L415 PolarHBondContact O-N 3.48Å; L415-S418 PolarHBondContact O-N 2.84Å; L415-F419 WeakPolarHBondContact O-CB 3.43Å; L415-F419 PolarHBondContact O-N 3.24Å; L415-F486 HydrophobicContact CD1-CD2 4.25Å; L415-F486 HydrophobicContact CD1-CE2 3.31Å; L415-F486 HydrophobicContact CD1-CZ 3.8Å; L415-F486 HydrophobicContact CG-CE2 4.44Å; L415-L490 HydrophobicContact CD1-CD2 4.05Å; L415-I493 HydrophobicContact CB-CD1 4.24Å
416	A	70.5	Confident	65.7	Low	3 Å²	3	65.7 Å²	65.7	3%	0.025	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-46.5	176	0	0	0	0	0	111.3	C412 D413 F419 F420 F477 L478 V481	C412-A416 WeakPolarHBondContact O-CB 3.46Å; C412-A416 PolarHBondContact O-N 3.44Å; D413-A416 PolarHBondContact O-N 2.96Å; A416-F419 PolarHBondContact O-N 3.13Å; A416-F420 WeakPolarHBondContact O-CB 3.3Å; A416-F420 PolarHBondContact O-N 3.44Å; A416-F477 HydrophobicContact CB-CE1 4.09Å; A416-L478 HydrophobicContact CB-CD2 4.46Å; A416-V481 HydrophobicContact CB-CG1 3.77Å
417	F	71.2	Confident	65.1	Low	97 Å²	97	62.4 Å²	62.4	43%	0.425	34%	0.339	S	S	.	.	H	α-helix	trans	-66	-41.4	178.6	-170.7	-100.9	0	0	0	112.2	D413 F414 F419 F420 L421	D413-F417 WeakPolarHBondContact O-CB 3.41Å; D413-F417 PolarHBondContact O-N 3.49Å; F414-F417 PolarHBondContact O-N 3.1Å; F417-F419 PolarHBondContact O-N 3.44Å; F417-F420 WeakPolarHBondContact O-CB 3.39Å; F417-F420 PolarHBondContact O-N 3.39Å; F417-L421 HydrophobicContact CD1-CD1 3.9Å; F417-L421 HydrophobicContact CD1-CG 4.27Å; F417-L421 HydrophobicContact CE1-CD1 3.53Å; F417-L421 HydrophobicContact CE1-CD2 4.43Å; F417-L421 HydrophobicContact CE1-CG 4Å; F417-L421 HydrophobicContact CZ-CD1 4.29Å; F417-L421 HydrophobicContact CZ-CD2 4.4Å; F417-L421 HydrophobicContact CZ-CG 4.38Å; F417-L421 WeakPolarHBondContact O-CG 3.31Å; F417-L421 PolarHBondContact O-N 2.96Å
418	S	71.6	Confident	63.9	Low	22 Å²	22	64 Å²	64	15%	0.154	35%	0.351	C	S	.	.	H	α-helix	trans	-61.7	-43.8	175.2	-60.3	0	0	0	0	111.6	F414 L415 F420 L421 L422	F414-S418 WeakPolarHBondContact O-CB 3.22Å; F414-S418 PolarHBondContact O-N 3.23Å; F414-S418 PolarHBondContact O-OG 3.2Å; L415-S418 PolarHBondContact O-N 2.84Å; S418-F420 VanDerWaalsContact C-N 3.35Å; S418-L421 PolarHBondContact O-N 2.88Å; S418-L422 WeakPolarHBondContact O-CD1 3.47Å; S418-L422 WeakPolarHBondContact O-CG 3.42Å; S418-L422 PolarHBondContact O-N 3.46Å; S418-L422 VanDerWaalsContact O-N 3.13Å
419	F	68.7	Low	62.6	Low	11 Å²	11	71.4 Å²	71.4	5%	0.048	38%	0.376	C	S	.	.	H	α-helix	trans	-64.7	-38.5	176.2	-172.2	-107.9	0	0	0	112.1	L415 A416 F417 L422 L423 W473 F477 I493 A497 L527 L530	L415-F419 WeakPolarHBondContact O-CB 3.43Å; L415-F419 PolarHBondContact O-N 3.24Å; A416-F419 PolarHBondContact O-N 3.13Å; F417-F419 PolarHBondContact O-N 3.44Å; F419-L422 PolarHBondContact O-N 2.84Å; F419-L423 HydrophobicContact CD1-CD1 3.72Å; F419-L423 HydrophobicContact CD1-CG 4.44Å; F419-L423 HydrophobicContact CE1-CD1 3.37Å; F419-L423 HydrophobicContact CE1-CG 4.17Å; F419-L423 HydrophobicContact CZ-CD1 3.91Å; F419-L423 HydrophobicContact CZ-CG 4.32Å; F419-L423 WeakPolarHBondContact O-CG 3.39Å; F419-L423 PolarHBondContact O-N 3.15Å; F419-W473 HydrophobicContact CE1-CH2 4.27Å; F419-F477 HydrophobicContact CD1-CE1 4.24Å; F419-F477 AromaticContact CD1-CE2 3.91Å; F419-F477 HydrophobicContact CD1-CE2 3.91Å; F419-F477 AromaticContact CD1-CZ 3.47Å; F419-F477 HydrophobicContact CD1-CZ 3.47Å; F419-F477 VanDerWaalsContact CD1-CZ 3.47Å; F419-F477 AromaticContact CE1-CE2 4Å; F419-F477 HydrophobicContact CE1-CE2 4Å; F419-F477 HydrophobicContact CE1-CZ 4.05Å; F419-F477 HydrophobicContact CG-CZ 4.35Å; F419-I493 HydrophobicContact CD2-CG2 3.89Å; F419-I493 HydrophobicContact CE2-CG2 3.97Å; F419-I493 HydrophobicContact CG-CG2 4.2Å; F419-I493 HydrophobicContact CZ-CG2 4.3Å; F419-A497 HydrophobicContact CE2-CB 4.44Å; F419-A497 HydrophobicContact CZ-CB 4.19Å; F419-L527 HydrophobicContact CD2-CD2 4.32Å; F419-L527 HydrophobicContact CE2-CD2 3.77Å; F419-L530 HydrophobicContact CD2-CD1 4.11Å
420	F	66.8	Low	61	Low	64 Å²	64	71.7 Å²	71.7	28%	0.281	39%	0.394	S	S	.	.	H	α-helix	trans	-60.3	-51.6	173.5	170.5	-97.2	0	0	0	112.1	A416 F417 S418 L422 L423 S424 F470	A416-F420 WeakPolarHBondContact O-CB 3.3Å; A416-F420 PolarHBondContact O-N 3.44Å; F417-F420 WeakPolarHBondContact O-CB 3.39Å; F417-F420 PolarHBondContact O-N 3.39Å; S418-F420 VanDerWaalsContact C-N 3.35Å; F420-L422 PolarHBondContact O-N 3.36Å; F420-L423 PolarHBondContact O-N 2.8Å; F420-S424 WeakPolarHBondContact CZ-OG 3.32Å; F420-S424 PolarHBondContact O-N 3.42Å; F420-S424 PolarHBondContact O-OG 3.48Å; F420-F470 AromaticContact CE2-CE1 3.88Å; F420-F470 HydrophobicContact CE2-CE1 3.88Å; F420-F470 HydrophobicContact CE2-CZ 4.19Å
421	L	68.6	Low	59.5	Low	80 Å²	80	71.4 Å²	71.4	42%	0.419	40%	0.404	S	S	.	.	H	α-helix	trans	-57.5	-37.1	178.2	-72.3	179.3	0	0	0	111.9	F417 S418 A425	F417-L421 HydrophobicContact CD1-CD1 3.9Å; F417-L421 HydrophobicContact CD1-CG 4.27Å; F417-L421 HydrophobicContact CE1-CD1 3.53Å; F417-L421 HydrophobicContact CE1-CD2 4.43Å; F417-L421 HydrophobicContact CE1-CG 4Å; F417-L421 HydrophobicContact CZ-CD1 4.29Å; F417-L421 HydrophobicContact CZ-CD2 4.4Å; F417-L421 HydrophobicContact CZ-CG 4.38Å; F417-L421 WeakPolarHBondContact O-CG 3.31Å; F417-L421 PolarHBondContact O-N 2.96Å; S418-L421 PolarHBondContact O-N 2.88Å; L421-A425 WeakPolarHBondContact O-CB 3.43Å; L421-A425 PolarHBondContact O-N 2.88Å
422	L	63.9	Low	57.7	Low	69 Å²	69	76.2 Å²	76.2	36%	0.361	43%	0.429	S	S	.	.	H	α-helix	trans	-67.6	-39.4	176.2	-81.9	159.1	0	0	0	113.2	S418 F419 F420 G426 V526 L530	S418-L422 WeakPolarHBondContact O-CD1 3.47Å; S418-L422 WeakPolarHBondContact O-CG 3.42Å; S418-L422 PolarHBondContact O-N 3.46Å; S418-L422 VanDerWaalsContact O-N 3.13Å; F419-L422 PolarHBondContact O-N 2.84Å; F420-L422 PolarHBondContact O-N 3.36Å; L422-G426 PolarHBondContact O-N 3Å; L422-V526 HydrophobicContact CB-CG1 4.48Å; L422-V526 HydrophobicContact CD1-CG1 3.46Å; L422-V526 VanDerWaalsContact CD1-CG1 3.46Å; L422-V526 HydrophobicContact CD2-CB 4.47Å; L422-V526 HydrophobicContact CD2-CG1 3.38Å; L422-V526 HydrophobicContact CD2-CG2 4.23Å; L422-V526 HydrophobicContact CG-CG1 3.94Å; L422-L530 HydrophobicContact CD1-CD1 3.58Å; L422-L530 HydrophobicContact CD1-CD2 4.09Å; L422-L530 HydrophobicContact CD1-CG 4Å
423	L	61.9	Low	56	Low	61 Å²	61	82.2 Å²	82.2	32%	0.319	47%	0.468	S	S	.	.	H	α-helix	trans	-70.7	-41.2	175	-74	172.2	0	0	0	112.3	F419 F420 G426 A427 W473	F419-L423 HydrophobicContact CD1-CD1 3.72Å; F419-L423 HydrophobicContact CD1-CG 4.44Å; F419-L423 HydrophobicContact CE1-CD1 3.37Å; F419-L423 HydrophobicContact CE1-CG 4.17Å; F419-L423 HydrophobicContact CZ-CD1 3.91Å; F419-L423 HydrophobicContact CZ-CG 4.32Å; F419-L423 WeakPolarHBondContact O-CG 3.39Å; F419-L423 PolarHBondContact O-N 3.15Å; F420-L423 PolarHBondContact O-N 2.8Å; L423-G426 PolarHBondContact O-N 3Å; L423-A427 PolarHBondContact O-N 3.27Å; L423-W473 HydrophobicContact CD1-CH2 3.39Å; L423-W473 HydrophobicContact CD1-CZ3 3.62Å
424	S	60	Low	54.4	Low	34 Å²	34	87.3 Å²	87.3	24%	0.238	49%	0.494	C	S	.	.	H	α-helix	trans	-65.2	-41.3	176.4	-65.7	0	0	0	0	111.9	F420 G426 A427	F420-S424 WeakPolarHBondContact CZ-OG 3.32Å; F420-S424 PolarHBondContact O-N 3.42Å; F420-S424 PolarHBondContact O-OG 3.48Å; S424-G426 PolarHBondContact O-N 2.98Å; S424-A427 PolarHBondContact O-N 3.16Å
425	A	56.1	Low	52.2	Low	76 Å²	76	92.3 Å²	92.3	63%	0.628	51%	0.51	S	S	*	.	H	α-helix	trans	-67.1	-24.3	175	0	0	0	0	0	113.3	L421	L421-A425 WeakPolarHBondContact O-CB 3.43Å; L421-A425 PolarHBondContact O-N 2.88Å
426	G	47.2	Very low	50.1	Low	57 Å²	57	98.1 Å²	98.1	59%	0.588	54%	0.541	S	S	*	.	H	α-helix	trans	-78	-20.2	175	0	0	0	0	0	114.4	L422 L423 S424	L422-G426 PolarHBondContact O-N 3Å; L423-G426 PolarHBondContact O-N 3Å; S424-G426 PolarHBondContact O-N 2.98Å
427	A	46.5	Very low	48.2	Very low	74 Å²	74	103 Å²	103	61%	0.612	58%	0.575	S	S	*	*	H	α-helix	trans	-81.4	-20.1	-178	0	0	0	0	0	113.7	L423 S424 R429	L423-A427 PolarHBondContact O-N 3.27Å; S424-A427 PolarHBondContact O-N 3.16Å; A427-R429 PolarHBondContact O-N 3.35Å
428	D	37.9	Very low	46.3	Very low	145 Å²	145	102.7 Å²	102.7	78%	0.775	58%	0.584	S	S	*	*			trans	-95.3	42.8	-177.3	-78.1	-27.4	0	0	0	113.5
429	R	35.6	Very low	44.4	Very low	198 Å²	198	108 Å²	108	75%	0.747	62%	0.616	S	S	*	*			trans	-83.8	125	160.6	-91.6	-172.6	-168.7	-126.4	0	109.3	A427 T431	A427-R429 PolarHBondContact O-N 3.35Å; R429-T431 PolarHBondContact O-N 3.06Å
430	P	32.1	Very low	42.7	Very low	130 Å²	130	117.8 Å²	117.8	84%	0.844	66%	0.658	S	S	*	*			trans	-72	93.2	-179.1	30.2	-32.5	0	0	0	109.2	L432	P430-L432 PolarHBondContact O-N 2.99Å
431	T	35.8	Very low	41	Very low	132 Å²	132	118.2 Å²	118.2	81%	0.81	68%	0.681	S	S	*	*			trans	-74.5	111.4	157	47.9	0	0	0	0	107.3	R429	R429-T431 PolarHBondContact O-N 3.06Å
432	L	32.2	Very low	39.4	Very low	157 Å²	157	125.7 Å²	125.7	82%	0.822	70%	0.704	S	S	*	*			trans	9.8	135.5	161.2	-63.8	166	0	0	0	117.8	P430 L434	P430-L432 PolarHBondContact O-N 2.99Å; L432-L434 PolarHBondContact O-N 3.4Å
433	P	31.7	Very low	38	Very low	130 Å²	130	132.3 Å²	132.3	84%	0.844	73%	0.73	S	S	*	*			trans	-71.2	102.1	-175.4	32.2	-31.9	0	0	0	109.6	R435	P433-R435 PolarHBondContact O-N 3.44Å
434	L	35.2	Very low	36.7	Very low	176 Å²	176	137 Å²	137	92%	0.921	76%	0.755	S	S	*	*			trans	-81	111.9	160.4	-81.8	168.5	0	0	0	107.9	L432	L432-L434 PolarHBondContact O-N 3.4Å
435	R	29.8	Very low	35.4	Very low	218 Å²	218	140.3 Å²	140.3	82%	0.823	78%	0.776	S	S	*	*			trans	-40.9	136.8	170.2	-104.2	179.1	160.3	174.8	-6.3	113.3	P433	P433-R435 PolarHBondContact O-N 3.44Å
436	D	29.4	Very low	34.5	Very low	126 Å²	126	142.9 Å²	142.9	67%	0.674	78%	0.784	S	S	*	*			trans	74.4	131.8	137	-53.8	-26.9	0	0	0	121.2
437	S	30.9	Very low	34.1	Very low	105 Å²	105	148.1 Å²	148.1	73%	0.734	80%	0.797	S	S	*	*			trans	83.8	85.2	146.6	70.1	0	0	0	0	119.6
438	C	29.7	Very low	33.4	Very low	92 Å²	92	152.4 Å²	152.4	62%	0.622	81%	0.81	S	S	*	*			trans	-126.6	69.6	145.7	-109.6	0	0	0	0	107.7	C461	C438-C461 WeakPolarHBondContact CB-SG 3.4Å; C438-C461 WeakPolarHBondContact SG-CB 3.2Å; C438-C461 CovalentContact SG-SG 2.1Å; C438-C461 PolarHBondContact SG-SG 3.33Å
439	T	33	Very low	33.3	Very low	134 Å²	134	149.8 Å²	149.8	82%	0.822	81%	0.808	S	S	*	*			trans	-91.4	86.7	164.5	48.1	0	0	0	0	108.3
440	F	32.3	Very low	33.5	Very low	215 Å²	215	146.9 Å²	146.9	94%	0.943	81%	0.812	S	S	*	*			trans	-132.2	99.6	170.2	-143.9	-94.5	0	0	0	107.9
441	G	31.8	Very low	33.7	Very low	74 Å²	74	146.8 Å²	146.8	76%	0.763	81%	0.811	S	S	*	*			trans	154.8	29.3	-178.3	0	0	0	0	0	117.5
442	R	34.3	Very low	33.6	Very low	236 Å²	236	146.3 Å²	146.3	89%	0.891	81%	0.813	S	S	*	*			trans	-137.2	115.5	156.1	-77.5	-165.6	-174.9	-171.7	1.8	109	N444	R442-N444 PolarHBondContact O-N 2.8Å
443	K	34.3	Very low	33.5	Very low	209 Å²	209	147.1 Å²	147.1	91%	0.909	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-62.2	123.7	174	-66.3	175.4	177.3	178.7	0	108.5
444	N	34.1	Very low	33.4	Very low	159 Å²	159	147.5 Å²	147.5	85%	0.85	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-103.8	126.3	156.5	-110.9	-21.4	0	0	0	106.8	R442	R442-N444 PolarHBondContact O-N 2.8Å
445	P	34.5	Very low	33.2	Very low	104 Å²	104	144.9 Å²	144.9	68%	0.675	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-76.3	169.8	166.1	34.9	-29.4	0	0	0	108.5
446	V	35.6	Very low	33.2	Very low	130 Å²	130	140.2 Å²	140.2	79%	0.788	80%	0.798	S	S	*	*			trans	94.3	81.5	179	-167.5	0	0	0	0	113.5
447	L	40	Very low	33.3	Very low	166 Å²	166	142.5 Å²	142.5	87%	0.869	80%	0.804	S	S	*	*				171.6	119.2	115.5	-87.1	164.5	0	0	0	110.2
448	D	30.3	Very low	33.4	Very low	165 Å²	165	143.9 Å²	143.9	88%	0.882	80%	0.803	S	S	*	*			trans	-63	136.9	171.3	-68.2	-58.9	0	0	0	112.2
449	A	37.1	Very low	33.5	Very low	89 Å²	89	144.9 Å²	144.9	74%	0.736	81%	0.81	S	S	*	*			trans	177	110.5	133.7	0	0	0	0	0	112.5
450	V	40.4	Very low	33.7	Very low	138 Å²	138	143.7 Å²	143.7	84%	0.836	80%	0.799	S	S	*	*			trans	63.9	123.7	143.5	-166.3	0	0	0	0	119.6
451	P	34.4	Very low	33.6	Very low	127 Å²	127	135.7 Å²	135.7	83%	0.825	77%	0.769	S	S	*	*			trans	-94.8	141.5	-180	36.9	-29.7	0	0	0	112.5
452	S	34.5	Very low	33.6	Very low	122 Å²	122	140 Å²	140	85%	0.853	77%	0.767	S	S	*	*			trans	-145.9	145.1	161.2	65.7	0	0	0	0	110.9
453	E	30.8	Very low	33.6	Very low	174 Å²	174	133 Å²	133	81%	0.813	75%	0.754	S	S	*	*			trans	-67.1	165.5	-157	-56.3	-170.5	130.4	0	0	116.8
454	D	29.2	Very low	33.5	Very low	139 Å²	139	127.2 Å²	127.2	74%	0.743	74%	0.739	S	S	*	*			trans	72.7	94.3	158.2	-58.8	-27.9	0	0	0	119.4
455	T	30.7	Very low	33.6	Very low	121 Å²	121	121.2 Å²	121.2	74%	0.742	71%	0.712	S	S	*	*				165.5	129.2	126.4	34.1	0	0	0	0	111.9	Q457	T455-Q457 PolarHBondContact O-N 2.96Å; T455-Q457 VanDerWaalsContact O-N 3.16Å
456	P	30.4	Very low	33.9	Very low	120 Å²	120	125 Å²	125	78%	0.779	71%	0.713	S	S	*	*			trans	-84.7	90.1	174.4	33.4	-29	0	0	0	109.6	L458	P456-L458 PolarHBondContact O-N 3.26Å; P456-L458 VanDerWaalsContact O-N 3.09Å
457	Q	30.2	Very low	34.1	Very low	174 Å²	174	128.7 Å²	128.7	81%	0.813	71%	0.712	S	S	*	*			trans	-78	89.2	167	-70.3	-138.1	4.6	0	0	110.3	T455 S459	T455-Q457 PolarHBondContact O-N 2.96Å; T455-Q457 VanDerWaalsContact O-N 3.16Å; Q457-S459 VanDerWaalsContact C-N 3.33Å; Q457-S459 PolarHBondContact O-N 2.92Å
458	L	33.3	Very low	34.2	Very low	134 Å²	134	124 Å²	124	70%	0.702	69%	0.694	S	S	*	*			trans	-69.8	85.9	162.7	-91	119.6	0	0	0	109.7	P456 N460	P456-L458 PolarHBondContact O-N 3.26Å; P456-L458 VanDerWaalsContact O-N 3.09Å; L458-N460 PolarHBondContact O-N 3.44Å; L458-N460 VanDerWaalsContact O-N 3.08Å
459	S	32.3	Very low	35	Very low	112 Å²	112	123 Å²	123	78%	0.783	68%	0.683	S	S	*	*			trans	-81	74.4	164.9	53.5	0	0	0	0	110	Q457 C461	Q457-S459 VanDerWaalsContact C-N 3.33Å; Q457-S459 PolarHBondContact O-N 2.92Å; S459-C461 PolarHBondContact O-N 2.96Å; S459-C461 VanDerWaalsContact O-N 3.14Å
460	N	36.3	Very low	35.4	Very low	110 Å²	110	122.6 Å²	122.6	59%	0.588	67%	0.665	S	S	*	*			trans	-68.7	109.4	171.8	-77.3	-25.5	0	0	0	109.7	L458 F462	L458-N460 PolarHBondContact O-N 3.44Å; L458-N460 VanDerWaalsContact O-N 3.08Å; N460-F462 PolarHBondContact O-N 3.34Å
461	C	30.4	Very low	35.9	Very low	46 Å²	46	122.2 Å²	122.2	31%	0.311	65%	0.654	S	S	.	*			trans	-47.6	124	172.7	-157.6	0	0	0	0	108.8	C438 S459 S463 C464 A465	C438-C461 WeakPolarHBondContact CB-SG 3.4Å; C438-C461 WeakPolarHBondContact SG-CB 3.2Å; C438-C461 CovalentContact SG-SG 2.1Å; C438-C461 PolarHBondContact SG-SG 3.33Å; S459-C461 PolarHBondContact O-N 2.96Å; S459-C461 VanDerWaalsContact O-N 3.14Å; C461-S463 PolarHBondContact O-N 3.48Å; C461-C464 WeakPolarHBondContact O-CB 3.22Å; C461-C464 PolarHBondContact O-N 2.82Å; C461-A465 PolarHBondContact O-N 2.91Å
462	F	33.4	Very low	36.8	Very low	165 Å²	165	121.5 Å²	121.5	72%	0.724	64%	0.643	S	S	*	*	H	α-helix	trans	-52.1	-30.3	-173.8	-119	-93.1	0	0	0	113.2	N460 R466	N460-F462 PolarHBondContact O-N 3.34Å; F462-R466 WeakPolarHBondContact O-CG 3.48Å; F462-R466 PolarHBondContact O-N 3.01Å; F462-R466 VanDerWaalsContact O-N 3.14Å
463	S	33.9	Very low	37.9	Very low	89 Å²	89	119.2 Å²	119.2	62%	0.622	62%	0.616	S	S	*	*	H	α-helix	trans	-69.4	-36.2	174.3	-92.6	0	0	0	0	114	C461 R467	C461-S463 PolarHBondContact O-N 3.48Å; S463-R467 PolarHBondContact O-N 2.82Å
464	C	32.1	Very low	39	Very low	87 Å²	87	113.8 Å²	113.8	59%	0.588	59%	0.591	S	S	*	*	H	α-helix	trans	-72.5	-38.2	177.5	-77.1	0	0	0	0	111.6	C461 R467 S468	C461-C464 WeakPolarHBondContact O-CB 3.22Å; C461-C464 PolarHBondContact O-N 2.82Å; C464-R467 PolarHBondContact O-N 3.22Å; C464-S468 PolarHBondContact O-N 3.29Å; C464-S468 VanDerWaalsContact O-N 3.14Å
465	A	36.6	Very low	40.4	Very low	33 Å²	33	111.5 Å²	111.5	27%	0.273	58%	0.581	S	S	.	*	H	α-helix	trans	-64.4	-41.5	173.7	0	0	0	0	0	111.8	C461 R467 S468 H469	C461-A465 PolarHBondContact O-N 2.91Å; A465-R467 VanDerWaalsContact C-N 3.31Å; A465-R467 PolarHBondContact O-N 3.36Å; A465-S468 PolarHBondContact O-N 2.86Å; A465-S468 PolarHBondContact O-OG 3.48Å; A465-H469 WeakPolarHBondContact O-CB 3.27Å; A465-H469 PolarHBondContact O-CD2 3.06Å; A465-H469 VanDerWaalsContact O-CD2 3.23Å; A465-H469 PolarHBondContact O-N 3.28Å
466	R	39	Very low	41.8	Very low	184 Å²	184	108.8 Å²	108.8	69%	0.694	57%	0.565	S	S	*	*	H	α-helix	trans	-60.6	-38.8	175	-79.1	-175.4	-170.8	-168.8	4.8	112.8	F462 F470	F462-R466 WeakPolarHBondContact O-CG 3.48Å; F462-R466 PolarHBondContact O-N 3.01Å; F462-R466 VanDerWaalsContact O-N 3.14Å; R466-F470 VanDerWaalsContact O-CB 3.26Å; R466-F470 WeakPolarHBondContact O-CB 3.25Å; R466-F470 PolarHBondContact O-N 3.02Å; R466-F470 VanDerWaalsContact O-N 3.13Å
467	R	41	Very low	43.2	Very low	207 Å²	207	103.4 Å²	103.4	78%	0.781	53%	0.529	S	S	*	.	H	α-helix	trans	-70.6	-40	-179.9	-118.1	176.1	-175.4	-167.8	0.7	113	S463 C464 A465 H471	S463-R467 PolarHBondContact O-N 2.82Å; C464-R467 PolarHBondContact O-N 3.22Å; A465-R467 VanDerWaalsContact C-N 3.31Å; A465-R467 PolarHBondContact O-N 3.36Å; R467-H471 PolarHBondContact O-N 3.29Å
468	S	42.9	Very low	44.6	Very low	69 Å²	69	98.2 Å²	98.2	48%	0.483	51%	0.507	S	S	.	.	H	α-helix	trans	-72.6	-42.6	179	71.4	0	0	0	0	112.2	C464 A465 F470 H471 N472	C464-S468 PolarHBondContact O-N 3.29Å; C464-S468 VanDerWaalsContact O-N 3.14Å; A465-S468 PolarHBondContact O-N 2.86Å; A465-S468 PolarHBondContact O-OG 3.48Å; S468-F470 VanDerWaalsContact C-N 3.3Å; S468-F470 PolarHBondContact O-N 2.86Å; S468-H471 PolarHBondContact O-N 3.21Å; S468-N472 PolarHBondContact O-N 3.28Å
469	H	46	Very low	45.9	Very low	142 Å²	142	94.8 Å²	94.8	66%	0.657	50%	0.498	S	S	*	.	H	α-helix	trans	-62.4	-38	175.6	-85.2	-87.7	0	0	0	111.8	A465 W473	A465-H469 WeakPolarHBondContact O-CB 3.27Å; A465-H469 PolarHBondContact O-CD2 3.06Å; A465-H469 VanDerWaalsContact O-CD2 3.23Å; A465-H469 PolarHBondContact O-N 3.28Å; H469-W473 WeakPolarHBondContact O-CB 3.41Å; H469-W473 PolarHBondContact O-N 2.8Å
470	F	46.4	Very low	47.1	Very low	82 Å²	82	93.3 Å²	93.3	36%	0.36	48%	0.481	S	S	.	.	H	α-helix	trans	-67.5	-38.9	177.2	-164	-99.4	0	0	0	112.6	F420 R466 S468 H474	F420-F470 AromaticContact CE2-CE1 3.88Å; F420-F470 HydrophobicContact CE2-CE1 3.88Å; F420-F470 HydrophobicContact CE2-CZ 4.19Å; R466-F470 VanDerWaalsContact O-CB 3.26Å; R466-F470 WeakPolarHBondContact O-CB 3.25Å; R466-F470 PolarHBondContact O-N 3.02Å; R466-F470 VanDerWaalsContact O-N 3.13Å; S468-F470 VanDerWaalsContact C-N 3.3Å; S468-F470 PolarHBondContact O-N 2.86Å; F470-H474 VanDerWaalsContact O-CB 3.3Å; F470-H474 WeakPolarHBondContact O-CB 3.16Å; F470-H474 PolarHBondContact O-N 2.76Å
471	H	50.7	Low	48.2	Very low	129 Å²	129	88.2 Å²	88.2	60%	0.597	45%	0.454	S	S	*	.	H	α-helix	trans	-68	-41.2	176.5	-122.2	80	0	0	0	112.5	R467 S468 H474 V475	R467-H471 PolarHBondContact O-N 3.29Å; S468-H471 PolarHBondContact O-N 3.21Å; H471-H474 WeakPolarHBondContact O-CB 3.41Å; H471-H474 PolarHBondContact O-N 2.73Å; H471-V475 WeakPolarHBondContact O-CG2 3.45Å; H471-V475 PolarHBondContact O-N 2.73Å; H471-V475 VanDerWaalsContact O-N 3.09Å
472	N	53	Low	49.5	Very low	113 Å²	113	93.5 Å²	93.5	60%	0.604	47%	0.467	S	S	*	.	H	α-helix	trans	-70	-37.7	178.6	-131.4	-15.6	0	0	0	111.5	S468 H474 T476	S468-N472 PolarHBondContact O-N 3.28Å; N472-H474 VanDerWaalsContact C-N 3.33Å; N472-H474 PolarHBondContact O-N 2.87Å; N472-T476 WeakPolarHBondContact O-CB 3.46Å; N472-T476 PolarHBondContact O-N 2.91Å; N472-T476 VanDerWaalsContact O-N 3.12Å; N472-T476 PolarHBondContact O-OG1 3.39Å
473	W	56.8	Low	50.7	Low	73 Å²	73	87 Å²	87	28%	0.277	44%	0.442	S	S	.	.	H	α-helix	trans	-62.7	-39.4	172	-167	87.3	0	0	0	111.9	F419 L423 H469 T476 F477 Y496	F419-W473 HydrophobicContact CE1-CH2 4.27Å; L423-W473 HydrophobicContact CD1-CH2 3.39Å; L423-W473 HydrophobicContact CD1-CZ3 3.62Å; H469-W473 WeakPolarHBondContact O-CB 3.41Å; H469-W473 PolarHBondContact O-N 2.8Å; W473-T476 PolarHBondContact O-N 3.35Å; W473-F477 WeakPolarHBondContact O-CB 3.35Å; W473-F477 PolarHBondContact O-N 2.74Å; W473-Y496 HydrophobicContact CD2-CD1 4.46Å; W473-Y496 HydrophobicContact CD2-CE1 4.45Å; W473-Y496 AromaticContact CE2-CD1 3.51Å; W473-Y496 AromaticContact CE2-CE1 3.84Å; W473-Y496 HydrophobicContact CH2-CD1 4.19Å; W473-Y496 AromaticContact CZ2-CD1 3.39Å; W473-Y496 HydrophobicContact CZ2-CD1 3.39Å; W473-Y496 HydrophobicContact CZ2-CE1 4.16Å; W473-Y496 HydrophobicContact CZ2-CG 4.23Å; W473-Y496 AromaticContact NE1-CD1 3.58Å; W473-Y496 AromaticContact NE1-CE1 3.65Å
474	H	55	Low	51.7	Low	61 Å²	61	93.1 Å²	93.1	28%	0.282	45%	0.452	S	S	.	.	H	α-helix	trans	-62.9	-48.1	176.3	175.2	-105.7	0	0	0	113.1	F470 H471 N472 T476 F477 L478	F470-H474 VanDerWaalsContact O-CB 3.3Å; F470-H474 WeakPolarHBondContact O-CB 3.16Å; F470-H474 PolarHBondContact O-N 2.76Å; H471-H474 WeakPolarHBondContact O-CB 3.41Å; H471-H474 PolarHBondContact O-N 2.73Å; N472-H474 VanDerWaalsContact C-N 3.33Å; N472-H474 PolarHBondContact O-N 2.87Å; H474-T476 VanDerWaalsContact C-N 3.31Å; H474-T476 PolarHBondContact O-N 2.87Å; H474-F477 PolarHBondContact O-N 2.73Å; H474-L478 WeakPolarHBondContact CE1-CD1 3.08Å; H474-L478 WeakPolarHBondContact NE2-CD1 3.42Å; H474-L478 WeakPolarHBondContact O-CB 3.44Å; H474-L478 WeakPolarHBondContact O-CG 3.5Å; H474-L478 PolarHBondContact O-N 3.16Å
475	V	58.7	Low	53.3	Low	90 Å²	90	91.7 Å²	91.7	55%	0.545	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-42.2	177.9	175.8	0	0	0	0	110.6	H471 A479	H471-V475 WeakPolarHBondContact O-CG2 3.45Å; H471-V475 PolarHBondContact O-N 2.73Å; H471-V475 VanDerWaalsContact O-N 3.09Å; V475-A479 VanDerWaalsContact O-CB 3.3Å; V475-A479 WeakPolarHBondContact O-CB 3.49Å; V475-A479 PolarHBondContact O-N 3.3Å
476	T	60.1	Low	54.6	Low	65 Å²	65	91.1 Å²	91.1	40%	0.399	43%	0.434	S	S	.	.	H	α-helix	trans	-68.2	-40.1	178.5	-48.4	0	0	0	0	111.9	N472 W473 H474 A479 N480 Y496	N472-T476 WeakPolarHBondContact O-CB 3.46Å; N472-T476 PolarHBondContact O-N 2.91Å; N472-T476 VanDerWaalsContact O-N 3.12Å; N472-T476 PolarHBondContact O-OG1 3.39Å; W473-T476 PolarHBondContact O-N 3.35Å; H474-T476 VanDerWaalsContact C-N 3.31Å; H474-T476 PolarHBondContact O-N 2.87Å; T476-A479 PolarHBondContact O-N 3.11Å; T476-N480 WeakPolarHBondContact O-CB 3.5Å; T476-N480 PolarHBondContact O-N 3.39Å; T476-N480 PolarHBondContact O-ND2 3.25Å; T476-Y496 WeakPolarHBondContact CG2-OH 3.27Å; T476-Y496 PolarHBondContact O-OH 3.15Å
477	F	59.3	Low	55.8	Low	6 Å²	6	85.2 Å²	85.2	3%	0.026	42%	0.424	C	S	.	.	H	α-helix	trans	-64.8	-48.3	176.7	177.8	-101.3	0	0	0	111.7	A416 F419 W473 H474 A479 N480 V481 I493 Y496	A416-F477 HydrophobicContact CB-CE1 4.09Å; F419-F477 HydrophobicContact CD1-CE1 4.24Å; F419-F477 AromaticContact CD1-CE2 3.91Å; F419-F477 HydrophobicContact CD1-CE2 3.91Å; F419-F477 AromaticContact CD1-CZ 3.47Å; F419-F477 HydrophobicContact CD1-CZ 3.47Å; F419-F477 VanDerWaalsContact CD1-CZ 3.47Å; F419-F477 AromaticContact CE1-CE2 4Å; F419-F477 HydrophobicContact CE1-CE2 4Å; F419-F477 HydrophobicContact CE1-CZ 4.05Å; F419-F477 HydrophobicContact CG-CZ 4.35Å; W473-F477 WeakPolarHBondContact O-CB 3.35Å; W473-F477 PolarHBondContact O-N 2.74Å; H474-F477 PolarHBondContact O-N 2.73Å; F477-A479 VanDerWaalsContact C-N 3.3Å; F477-A479 PolarHBondContact O-N 2.91Å; F477-N480 PolarHBondContact O-N 3.24Å; F477-N480 VanDerWaalsContact O-N 3.16Å; F477-V481 HydrophobicContact CD1-CG2 4.16Å; F477-V481 HydrophobicContact CD2-CG2 4Å; F477-V481 HydrophobicContact CE1-CG2 3.85Å; F477-V481 HydrophobicContact CE2-CG2 3.67Å; F477-V481 HydrophobicContact CG-CG2 4.24Å; F477-V481 HydrophobicContact CZ-CG2 3.59Å; F477-V481 WeakPolarHBondContact O-CB 3.07Å; F477-V481 VanDerWaalsContact O-CG2 3.26Å; F477-V481 WeakPolarHBondContact O-CG2 3.26Å; F477-V481 PolarHBondContact O-N 3.44Å; F477-I493 HydrophobicContact CE2-CG1 4.34Å; F477-I493 HydrophobicContact CZ-CG1 4.15Å; F477-Y496 HydrophobicContact CB-CE1 4.23Å; F477-Y496 AromaticContact CD2-CD1 3.92Å; F477-Y496 HydrophobicContact CD2-CD1 3.92Å; F477-Y496 AromaticContact CD2-CD2 3.71Å; F477-Y496 HydrophobicContact CD2-CD2 3.71Å; F477-Y496 HydrophobicContact CD2-CE1 4.19Å; F477-Y496 HydrophobicContact CD2-CE2 4.01Å; F477-Y496 AromaticContact CD2-CG 3.64Å; F477-Y496 HydrophobicContact CD2-CG 3.64Å; F477-Y496 HydrophobicContact CE2-CD2 4.17Å; F477-Y496 HydrophobicContact CE2-CG 4.1Å
478	L	60.2	Low	57	Low	65 Å²	65	77.6 Å²	77.6	34%	0.34	40%	0.403	S	S	.	.	H	α-helix	trans	-63.5	-35.4	176.8	-72.3	-179.5	0	0	0	112.4	A416 H474 R482	A416-L478 HydrophobicContact CB-CD2 4.46Å; H474-L478 WeakPolarHBondContact CE1-CD1 3.08Å; H474-L478 WeakPolarHBondContact NE2-CD1 3.42Å; H474-L478 WeakPolarHBondContact O-CB 3.44Å; H474-L478 WeakPolarHBondContact O-CG 3.5Å; H474-L478 PolarHBondContact O-N 3.16Å; L478-R482 WeakPolarHBondContact O-CG 2.98Å; L478-R482 PolarHBondContact O-N 2.88Å
479	A	60.2	Low	58	Low	63 Å²	63	74.3 Å²	74.3	52%	0.521	38%	0.38	S	S	.	.	H	α-helix	trans	-64	-41.7	173.2	0	0	0	0	0	111.9	V475 T476 F477	V475-A479 VanDerWaalsContact O-CB 3.3Å; V475-A479 WeakPolarHBondContact O-CB 3.49Å; V475-A479 PolarHBondContact O-N 3.3Å; T476-A479 PolarHBondContact O-N 3.11Å; F477-A479 VanDerWaalsContact C-N 3.3Å; F477-A479 PolarHBondContact O-N 2.91Å
480	N	57.8	Low	59.1	Low	81 Å²	81	68.7 Å²	68.7	43%	0.433	36%	0.355	S	S	.	.	H	α-helix	trans	-80.5	-25.7	-178	-75.5	-27.4	0	0	0	114.2	T476 F477 T492 Y496	T476-N480 WeakPolarHBondContact O-CB 3.5Å; T476-N480 PolarHBondContact O-N 3.39Å; T476-N480 PolarHBondContact O-ND2 3.25Å; F477-N480 PolarHBondContact O-N 3.24Å; F477-N480 VanDerWaalsContact O-N 3.16Å; N480-T492 HydrophobicContact CB-CG2 3.69Å; N480-T492 PolarHBondContact O-OG1 3.01Å; N480-Y496 HydrophobicContact CB-CE2 4.13Å; N480-Y496 PolarHBondContact ND2-OH 2.65Å
481	V	59.7	Low	60.1	Low	2 Å²	2	69.1 Å²	69.1	1%	0.012	36%	0.361	C	S	.	.	H	α-helix	trans	-79.1	-23.2	177.2	172.4	0	0	0	0	112	A416 F477 S483 C489 T492 I493	A416-V481 HydrophobicContact CB-CG1 3.77Å; F477-V481 HydrophobicContact CD1-CG2 4.16Å; F477-V481 HydrophobicContact CD2-CG2 4Å; F477-V481 HydrophobicContact CE1-CG2 3.85Å; F477-V481 HydrophobicContact CE2-CG2 3.67Å; F477-V481 HydrophobicContact CG-CG2 4.24Å; F477-V481 HydrophobicContact CZ-CG2 3.59Å; F477-V481 WeakPolarHBondContact O-CB 3.07Å; F477-V481 VanDerWaalsContact O-CG2 3.26Å; F477-V481 WeakPolarHBondContact O-CG2 3.26Å; F477-V481 PolarHBondContact O-N 3.44Å; V481-S483 PolarHBondContact O-N 3.06Å; V481-S483 PolarHBondContact O-OG 3.2Å; V481-C489 HydrophobicContact CG1-CB 4.48Å; V481-C489 VanDerWaalsContact CG1-SG 3.52Å; V481-T492 HydrophobicContact CG2-CG2 3.85Å; V481-I493 HydrophobicContact CG2-CG1 4.48Å
482	R	56.3	Low	60.9	Low	157 Å²	157	64 Å²	64	59%	0.592	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	15.1	173.9	-88.5	179.4	164.4	155.7	-2.6	116.1	L478	L478-R482 WeakPolarHBondContact O-CG 2.98Å; L478-R482 PolarHBondContact O-N 2.88Å
483	S	58.1	Low	61.5	Low	28 Å²	28	59.3 Å²	59.3	20%	0.196	31%	0.313	C	S	.	.			trans	-56.3	143.5	172.6	65.8	0	0	0	0	113.3	V481 S485 S488 C489	V481-S483 PolarHBondContact O-N 3.06Å; V481-S483 PolarHBondContact O-OG 3.2Å; S483-S485 PolarHBondContact O-N 2.83Å; S483-S485 VanDerWaalsContact O-N 3.14Å; S483-S485 PolarHBondContact OG-O 3.42Å; S483-S488 VanDerWaalsContact CB-OG 3.28Å; S483-S488 WeakPolarHBondContact CB-OG 3.04Å; S483-S488 VanDerWaalsContact OG-CB 3.3Å; S483-S488 WeakPolarHBondContact OG-CB 3.41Å; S483-S488 PolarHBondContact OG-OG 2.77Å; S483-C489 PolarHBondContact OG-N 2.75Å
484	R	55.6	Low	61.9	Low	219 Å²	219	60.9 Å²	60.9	83%	0.826	32%	0.322	S	S	*	.	S	Bend	trans	-67.6	-11.6	-174.2	-65	-172.5	-177.6	-148.8	4.2	114.5
485	S	65.5	Low	62.3	Low	57 Å²	57	61.6 Å²	61.6	40%	0.399	33%	0.334	S	S	.	.	S	Bend	trans	-127.1	137.8	-179.8	76.7	0	0	0	0	111.4	S483 A487 S488 C489	S483-S485 PolarHBondContact O-N 2.83Å; S483-S485 VanDerWaalsContact O-N 3.14Å; S483-S485 PolarHBondContact OG-O 3.42Å; S485-A487 PolarHBondContact O-N 2.78Å; S485-S488 WeakPolarHBondContact O-CB 3.46Å; S485-S488 PolarHBondContact O-N 3.49Å; S485-S488 WeakPolarHBondContact OG-CB 3.33Å; S485-S488 PolarHBondContact OG-N 3.45Å; S485-C489 PolarHBondContact O-N 3.09Å; S485-C489 VanDerWaalsContact O-N 3.11Å
486	F	63.7	Low	62.4	Low	21 Å²	21	58.8 Å²	58.8	9%	0.092	31%	0.314	C	S	.	.	H	α-helix	trans	-53.3	-35.6	174.1	-177.9	-104.6	0	0	0	112.8	L411 L415 C489 L490 Q538	L411-F486 HydrophobicContact CD2-CD2 3.99Å; L411-F486 HydrophobicContact CD2-CE2 3.38Å; L411-F486 HydrophobicContact CD2-CZ 4.19Å; L415-F486 HydrophobicContact CD1-CD2 4.25Å; L415-F486 HydrophobicContact CD1-CE2 3.31Å; L415-F486 HydrophobicContact CD1-CZ 3.8Å; L415-F486 HydrophobicContact CG-CE2 4.44Å; F486-C489 WeakPolarHBondContact O-CB 3.3Å; F486-C489 PolarHBondContact O-N 3.12Å; F486-L490 HydrophobicContact CD1-CD1 3.92Å; F486-L490 HydrophobicContact CD1-CG 4.49Å; F486-L490 HydrophobicContact CE1-CD1 3.43Å; F486-L490 VanDerWaalsContact CE1-CD1 3.43Å; F486-L490 HydrophobicContact CE1-CG 4.14Å; F486-L490 HydrophobicContact CZ-CD1 3.93Å; F486-L490 HydrophobicContact CZ-CG 4.27Å; F486-L490 PolarHBondContact O-N 3.31Å; F486-Q538 HydrophobicContact CE1-CB 4.34Å
487	A	65.1	Low	62.3	Low	59 Å²	59	56.4 Å²	56.4	49%	0.488	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-38.3	176.1	0	0	0	0	0	112.6	S485 N491	S485-A487 PolarHBondContact O-N 2.78Å; A487-N491 PolarHBondContact O-N 2.95Å; A487-N491 VanDerWaalsContact O-N 3.09Å
488	S	65.9	Low	62.2	Low	47 Å²	47	59.4 Å²	59.4	33%	0.329	33%	0.327	S	S	.	.	H	α-helix	trans	-69.2	-41.1	175.6	-170.4	0	0	0	0	111	S483 S485 L490 N491 T492	S483-S488 VanDerWaalsContact CB-OG 3.28Å; S483-S488 WeakPolarHBondContact CB-OG 3.04Å; S483-S488 VanDerWaalsContact OG-CB 3.3Å; S483-S488 WeakPolarHBondContact OG-CB 3.41Å; S483-S488 PolarHBondContact OG-OG 2.77Å; S485-S488 WeakPolarHBondContact O-CB 3.46Å; S485-S488 PolarHBondContact O-N 3.49Å; S485-S488 WeakPolarHBondContact OG-CB 3.33Å; S485-S488 PolarHBondContact OG-N 3.45Å; S488-L490 PolarHBondContact O-N 2.79Å; S488-N491 PolarHBondContact O-N 3.03Å; S488-T492 PolarHBondContact O-N 3.31Å; S488-T492 PolarHBondContact O-OG1 2.95Å
489	C	64.7	Low	61.9	Low	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-56.7	-48.6	173.8	172.2	0	0	0	0	111.8	C412 V481 S483 S485 F486 N491 T492 I493	C412-C489 HydrophobicContact CB-CB 4.32Å; C412-C489 VanDerWaalsContact SG-CB 3.58Å; V481-C489 HydrophobicContact CG1-CB 4.48Å; V481-C489 VanDerWaalsContact CG1-SG 3.52Å; S483-C489 PolarHBondContact OG-N 2.75Å; S485-C489 PolarHBondContact O-N 3.09Å; S485-C489 VanDerWaalsContact O-N 3.11Å; F486-C489 WeakPolarHBondContact O-CB 3.3Å; F486-C489 PolarHBondContact O-N 3.12Å; C489-N491 VanDerWaalsContact C-N 3.34Å; C489-N491 PolarHBondContact O-N 3.49Å; C489-T492 WeakPolarHBondContact O-CB 3.45Å; C489-T492 PolarHBondContact O-N 3.24Å; C489-I493 WeakPolarHBondContact O-CG1 3.3Å; C489-I493 PolarHBondContact O-N 3.1Å
490	L	68.3	Low	61.1	Low	25 Å²	25	60.2 Å²	60.2	13%	0.131	34%	0.339	C	S	.	.	H	α-helix	trans	-63.8	-36.9	177.5	-74.3	177	0	0	0	112.8	L415 F486 S488 I493 K494	L415-L490 HydrophobicContact CD1-CD2 4.05Å; F486-L490 HydrophobicContact CD1-CD1 3.92Å; F486-L490 HydrophobicContact CD1-CG 4.49Å; F486-L490 HydrophobicContact CE1-CD1 3.43Å; F486-L490 VanDerWaalsContact CE1-CD1 3.43Å; F486-L490 HydrophobicContact CE1-CG 4.14Å; F486-L490 HydrophobicContact CZ-CD1 3.93Å; F486-L490 HydrophobicContact CZ-CG 4.27Å; F486-L490 PolarHBondContact O-N 3.31Å; S488-L490 PolarHBondContact O-N 2.79Å; L490-I493 PolarHBondContact O-N 3.49Å; L490-K494 VanDerWaalsContact O-CG 3.28Å; L490-K494 WeakPolarHBondContact O-CG 3.34Å; L490-K494 PolarHBondContact O-N 3.18Å
491	N	67.8	Low	60.3	Low	90 Å²	90	60.2 Å²	60.2	48%	0.481	34%	0.339	S	S	.	.	H	α-helix	trans	-68.7	-39.8	175.5	-75.7	-16.9	0	0	0	111.7	A487 S488 C489 K494 S495	A487-N491 PolarHBondContact O-N 2.95Å; A487-N491 VanDerWaalsContact O-N 3.09Å; S488-N491 PolarHBondContact O-N 3.03Å; C489-N491 VanDerWaalsContact C-N 3.34Å; C489-N491 PolarHBondContact O-N 3.49Å; N491-K494 WeakPolarHBondContact O-CB 3.5Å; N491-K494 PolarHBondContact O-N 3.22Å; N491-S495 PolarHBondContact O-N 3.34Å; N491-S495 PolarHBondContact O-OG 3.3Å
492	T	67.2	Low	58.9	Low	22 Å²	22	61 Å²	61	14%	0.135	35%	0.347	C	S	.	.	H	α-helix	trans	-58.5	-50.3	171.7	-58.1	0	0	0	0	110.6	N480 V481 S488 C489 K494 S495 Y496	N480-T492 HydrophobicContact CB-CG2 3.69Å; N480-T492 PolarHBondContact O-OG1 3.01Å; V481-T492 HydrophobicContact CG2-CG2 3.85Å; S488-T492 PolarHBondContact O-N 3.31Å; S488-T492 PolarHBondContact O-OG1 2.95Å; C489-T492 WeakPolarHBondContact O-CB 3.45Å; C489-T492 PolarHBondContact O-N 3.24Å; T492-K494 VanDerWaalsContact C-N 3.27Å; T492-K494 PolarHBondContact O-N 3.24Å; T492-S495 PolarHBondContact O-N 3.01Å; T492-S495 VanDerWaalsContact O-N 3.1Å; T492-Y496 HydrophobicContact CG2-CD2 3.59Å; T492-Y496 HydrophobicContact CG2-CE2 3.62Å; T492-Y496 VanDerWaalsContact O-CD2 3.31Å; T492-Y496 WeakPolarHBondContact O-CD2 3.49Å; T492-Y496 PolarHBondContact O-N 3.14Å
493	I	66.4	Low	57.8	Low	15 Å²	15	59 Å²	59	8%	0.077	35%	0.352	C	S	.	.	H	α-helix	trans	-57.2	-40.9	177.2	-66.9	166.4	0	0	0	111	L415 F419 F477 V481 C489 L490 Y496 A497	L415-I493 HydrophobicContact CB-CD1 4.24Å; F419-I493 HydrophobicContact CD2-CG2 3.89Å; F419-I493 HydrophobicContact CE2-CG2 3.97Å; F419-I493 HydrophobicContact CG-CG2 4.2Å; F419-I493 HydrophobicContact CZ-CG2 4.3Å; F477-I493 HydrophobicContact CE2-CG1 4.34Å; F477-I493 HydrophobicContact CZ-CG1 4.15Å; V481-I493 HydrophobicContact CG2-CG1 4.48Å; C489-I493 WeakPolarHBondContact O-CG1 3.3Å; C489-I493 PolarHBondContact O-N 3.1Å; L490-I493 PolarHBondContact O-N 3.49Å; I493-Y496 PolarHBondContact O-N 3.46Å; I493-A497 VanDerWaalsContact O-CB 3.25Å; I493-A497 WeakPolarHBondContact O-CB 3.44Å; I493-A497 PolarHBondContact O-N 2.84Å
494	K	64	Low	56.7	Low	106 Å²	106	61.2 Å²	61.2	46%	0.461	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-45.1	174.8	-74.5	171.7	-177.6	177.9	0	112.8	L490 N491 T492 Y496 A497 A498	L490-K494 VanDerWaalsContact O-CG 3.28Å; L490-K494 WeakPolarHBondContact O-CG 3.34Å; L490-K494 PolarHBondContact O-N 3.18Å; N491-K494 WeakPolarHBondContact O-CB 3.5Å; N491-K494 PolarHBondContact O-N 3.22Å; T492-K494 VanDerWaalsContact C-N 3.27Å; T492-K494 PolarHBondContact O-N 3.24Å; K494-Y496 VanDerWaalsContact C-N 3.35Å; K494-A497 PolarHBondContact O-N 3.21Å; K494-A498 WeakPolarHBondContact O-CB 3.15Å; K494-A498 PolarHBondContact O-N 3.49Å
495	S	64.3	Low	56.1	Low	75 Å²	75	54.8 Å²	54.8	52%	0.524	36%	0.364	S	S	.	.	H	α-helix	trans	-62	-43.5	177.2	-65.9	0	0	0	0	111.1	N491 T492 A498 V499	N491-S495 PolarHBondContact O-N 3.34Å; N491-S495 PolarHBondContact O-OG 3.3Å; T492-S495 PolarHBondContact O-N 3.01Å; T492-S495 VanDerWaalsContact O-N 3.1Å; S495-A498 PolarHBondContact O-N 3.37Å; S495-V499 VanDerWaalsContact O-CG2 3.27Å; S495-V499 WeakPolarHBondContact O-CG2 3.4Å; S495-V499 PolarHBondContact O-N 2.85Å
496	Y	59.5	Low	54.7	Low	31 Å²	31	58.4 Å²	58.4	12%	0.122	38%	0.379	C	S	.	.	H	α-helix	trans	-69.7	-36.1	177.4	-85.3	-85.8	0	0	0	113.1	W473 T476 F477 N480 T492 I493 K494 A498 V499 G500	W473-Y496 HydrophobicContact CD2-CD1 4.46Å; W473-Y496 HydrophobicContact CD2-CE1 4.45Å; W473-Y496 AromaticContact CE2-CD1 3.51Å; W473-Y496 AromaticContact CE2-CE1 3.84Å; W473-Y496 HydrophobicContact CH2-CD1 4.19Å; W473-Y496 AromaticContact CZ2-CD1 3.39Å; W473-Y496 HydrophobicContact CZ2-CD1 3.39Å; W473-Y496 HydrophobicContact CZ2-CE1 4.16Å; W473-Y496 HydrophobicContact CZ2-CG 4.23Å; W473-Y496 AromaticContact NE1-CD1 3.58Å; W473-Y496 AromaticContact NE1-CE1 3.65Å; T476-Y496 WeakPolarHBondContact CG2-OH 3.27Å; T476-Y496 PolarHBondContact O-OH 3.15Å; F477-Y496 HydrophobicContact CB-CE1 4.23Å; F477-Y496 AromaticContact CD2-CD1 3.92Å; F477-Y496 HydrophobicContact CD2-CD1 3.92Å; F477-Y496 AromaticContact CD2-CD2 3.71Å; F477-Y496 HydrophobicContact CD2-CD2 3.71Å; F477-Y496 HydrophobicContact CD2-CE1 4.19Å; F477-Y496 HydrophobicContact CD2-CE2 4.01Å; F477-Y496 AromaticContact CD2-CG 3.64Å; F477-Y496 HydrophobicContact CD2-CG 3.64Å; F477-Y496 HydrophobicContact CE2-CD2 4.17Å; F477-Y496 HydrophobicContact CE2-CG 4.1Å; N480-Y496 HydrophobicContact CB-CE2 4.13Å; N480-Y496 PolarHBondContact ND2-OH 2.65Å; T492-Y496 HydrophobicContact CG2-CD2 3.59Å; T492-Y496 HydrophobicContact CG2-CE2 3.62Å; T492-Y496 VanDerWaalsContact O-CD2 3.31Å; T492-Y496 WeakPolarHBondContact O-CD2 3.49Å; T492-Y496 PolarHBondContact O-N 3.14Å; I493-Y496 PolarHBondContact O-N 3.46Å; K494-Y496 VanDerWaalsContact C-N 3.35Å; Y496-A498 VanDerWaalsContact C-N 3.29Å; Y496-A498 PolarHBondContact O-N 3.2Å; Y496-V499 PolarHBondContact O-N 3.39Å; Y496-G500 PolarHBondContact O-N 2.84Å
497	A	58.9	Low	53.2	Low	15 Å²	15	60.5 Å²	60.5	12%	0.124	41%	0.407	C	S	.	.	H	α-helix	trans	-65.6	-32.7	172.5	0	0	0	0	0	112.4	F419 I493 K494 L527	F419-A497 HydrophobicContact CE2-CB 4.44Å; F419-A497 HydrophobicContact CZ-CB 4.19Å; I493-A497 VanDerWaalsContact O-CB 3.25Å; I493-A497 WeakPolarHBondContact O-CB 3.44Å; I493-A497 PolarHBondContact O-N 2.84Å; K494-A497 PolarHBondContact O-N 3.21Å; A497-L527 HydrophobicContact CB-CD1 3.86Å; A497-L527 HydrophobicContact CB-CD2 4.2Å
498	A	56	Low	51.6	Low	70 Å²	70	66 Å²	66	58%	0.579	42%	0.416	S	S	*	.	H	α-helix	trans	-71.6	-35.4	173.3	0	0	0	0	0	112.4	K494 S495 Y496	K494-A498 WeakPolarHBondContact O-CB 3.15Å; K494-A498 PolarHBondContact O-N 3.49Å; S495-A498 PolarHBondContact O-N 3.37Å; Y496-A498 VanDerWaalsContact C-N 3.29Å; Y496-A498 PolarHBondContact O-N 3.2Å
499	V	54	Low	49.9	Very low	85 Å²	85	68.1 Å²	68.1	52%	0.515	44%	0.436	S	S	.	.	H	α-helix	trans	-76.8	-32.8	177.7	175.1	0	0	0	0	112.2	S495 Y496 I501 G502	S495-V499 VanDerWaalsContact O-CG2 3.27Å; S495-V499 WeakPolarHBondContact O-CG2 3.4Å; S495-V499 PolarHBondContact O-N 2.85Å; Y496-V499 PolarHBondContact O-N 3.39Å; V499-I501 PolarHBondContact O-N 3.43Å; V499-G502 PolarHBondContact O-N 3.27Å
500	G	44.5	Very low	48.3	Very low	59 Å²	59	75.2 Å²	75.2	61%	0.608	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-1.2	178.9	0	0	0	0	0	115.6	Y496	Y496-G500 PolarHBondContact O-N 2.84Å
501	I	41.1	Very low	46.6	Very low	82 Å²	82	80.5 Å²	80.5	42%	0.421	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-5.9	176.8	-63.2	169	0	0	0	112	V499 W510 W523	V499-I501 PolarHBondContact O-N 3.43Å; I501-W510 WeakPolarHBondContact O-CB 3.45Å; I501-W523 HydrophobicContact CD1-CH2 3.36Å; I501-W523 HydrophobicContact CD1-CZ2 3.48Å; I501-W523 VanDerWaalsContact CD1-CZ2 3.48Å; I501-W523 HydrophobicContact CD1-CZ3 4.2Å; I501-W523 HydrophobicContact CG1-CH2 4.32Å; I501-W523 HydrophobicContact CG1-CZ2 4.09Å
502	G	29.9	Very low	45.1	Very low	19 Å²	19	82 Å²	82	20%	0.196	50%	0.502	C	S	.	.			trans	177.6	109.1	173.4	0	0	0	0	0	116.7	V499	V499-G502 PolarHBondContact O-N 3.27Å
503	T	33.2	Very low	43.7	Very low	113 Å²	113	86.5 Å²	86.5	69%	0.693	53%	0.525	S	S	*	.			trans	-150.9	107.9	144.2	55.2	0	0	0	0	107.6
504	D	35.5	Very low	42.2	Very low	76 Å²	76	90.1 Å²	90.1	41%	0.406	55%	0.551	S	S	.	*			trans	-67.7	158.1	149.3	55.2	0.4	0	0	0	108	N506 G507 Y508	D504-N506 PolarHBondContact O-N 3.48Å; D504-G507 PolarHBondContact O-N 3.47Å; D504-Y508 PolarHBondContact OD1-N 2.93Å
505	G	41.8	Very low	40.6	Very low	84 Å²	84	94 Å²	94	87%	0.866	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	12.1	-175.8	0	0	0	0	0	116
506	N	36.6	Very low	38.9	Very low	132 Å²	132	100.6 Å²	100.6	71%	0.706	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	4.6	-178.8	-75.8	-2.9	0	0	0	114.2	D504 Y508	D504-N506 PolarHBondContact O-N 3.48Å; N506-Y508 HydrophobicContact CB-CD2 4.04Å; N506-Y508 HydrophobicContact CB-CE2 4.29Å
507	G	32.6	Very low	37.6	Very low	66 Å²	66	106.6 Å²	106.6	68%	0.68	61%	0.612	S	S	*	*			trans	75.8	23.2	173	0	0	0	0	0	115.5	D504	D504-G507 PolarHBondContact O-N 3.47Å
508	Y	32.1	Very low	36.3	Very low	174 Å²	174	112.8 Å²	112.8	68%	0.682	64%	0.643	S	S	*	*			trans	-92.4	118.3	172.8	-71.5	-80.4	0	0	0	111	D504 N506 W510	D504-Y508 PolarHBondContact OD1-N 2.93Å; N506-Y508 HydrophobicContact CB-CD2 4.04Å; N506-Y508 HydrophobicContact CB-CE2 4.29Å; Y508-W510 PolarHBondContact O-N 3.02Å
509	A	29.8	Very low	35.5	Very low	91 Å²	91	118.8 Å²	118.8	75%	0.752	66%	0.656	S	S	*	*			trans	-64.9	127.6	175.2	0	0	0	0	0	110.5	H511	A509-H511 PolarHBondContact O-N 3.28Å; A509-H511 VanDerWaalsContact O-N 3.14Å
510	W	31.3	Very low	35	Very low	150 Å²	150	119 Å²	119	57%	0.568	66%	0.66	S	S	*	*			trans	-66.9	112.5	173.6	-78.9	65.4	0	0	0	109.7	I501 Y508	I501-W510 WeakPolarHBondContact O-CB 3.45Å; Y508-W510 PolarHBondContact O-N 3.02Å
511	H	32.9	Very low	35.4	Very low	135 Å²	135	119.2 Å²	119.2	63%	0.625	65%	0.65	S	S	*	*			trans	-68.7	132	178.8	-158.8	-85	0	0	0	110.1	A509 N513 S514	A509-H511 PolarHBondContact O-N 3.28Å; A509-H511 VanDerWaalsContact O-N 3.14Å; H511-N513 PolarHBondContact O-N 3.19Å; H511-S514 PolarHBondContact O-N 3.41Å
512	P	36.3	Very low	36.1	Very low	122 Å²	122	121.3 Å²	121.3	79%	0.792	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-1.5	-175.5	-21.3	30.8	0	0	0	116.3
513	N	36	Very low	37.4	Very low	117 Å²	117	126.4 Å²	126.4	63%	0.626	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	7.7	-171.4	-72	-14.3	0	0	0	114.3	H511 F515	H511-N513 PolarHBondContact O-N 3.19Å; N513-F515 PolarHBondContact O-N 3.27Å
514	S	35.1	Very low	38.5	Very low	90 Å²	90	122.8 Å²	122.8	63%	0.629	66%	0.656	S	S	*	*			trans	-90	8.6	-173.1	-160.6	0	0	0	0	116	H511	H511-S514 PolarHBondContact O-N 3.41Å
515	F	30.9	Very low	39.9	Very low	187 Å²	187	123.3 Å²	123.3	82%	0.82	66%	0.66	S	S	*	*			trans	-124.5	79.1	173.5	-96.9	-90.2	0	0	0	111.7	N513 H517	N513-F515 PolarHBondContact O-N 3.27Å; F515-H517 PolarHBondContact O-N 3.21Å
516	Y	28.4	Very low	40.9	Very low	214 Å²	214	121.5 Å²	121.5	84%	0.839	63%	0.632	S	S	*	*			trans	-69.2	99.1	152.2	-89.8	-94.5	0	0	0	108.1
517	H	32.9	Very low	42.4	Very low	157 Å²	157	117.4 Å²	117.4	73%	0.727	61%	0.609	S	S	*	*	S	Bend	trans	158.1	108.4	140.4	-92.7	-77.5	0	0	0	111.7	F515	F515-H517 PolarHBondContact O-N 3.21Å
518	N	32.2	Very low	44.2	Very low	146 Å²	146	120.1 Å²	120.1	78%	0.781	60%	0.602	S	S	*	*	S	Bend	trans	51	73.8	144.6	-62.4	-23.7	0	0	0	119.5
519	K	38.6	Very low	46.1	Very low	195 Å²	195	117.8 Å²	117.8	85%	0.848	60%	0.601	S	S	*	*			trans	155.6	138.9	136.5	-88.4	170.9	-177.6	-177.6	0	108.8
520	P	43.3	Very low	48	Very low	91 Å²	91	114.8 Å²	114.8	59%	0.591	57%	0.572	S	S	*	*			trans	-57.2	140.2	169.8	26.3	-32.5	0	0	0	108.5	L522	P520-L522 PolarHBondContact O-N 2.94Å
521	P	52.5	Low	49.8	Very low	63 Å²	63	110.4 Å²	110.4	41%	0.409	56%	0.557	S	S	.	*			trans	-65.7	134	-178.4	30.3	-36.3	0	0	0	108.8	W523 A524	P521-W523 HydrophobicContact CB-CG 4.23Å; P521-W523 HydrophobicContact CG-CD2 4.22Å; P521-W523 VanDerWaalsContact CG-CE2 3.43Å; P521-W523 HydrophobicContact CG-CG 4.31Å; P521-W523 HydrophobicContact CG-CZ2 3.85Å; P521-W523 PolarHBondContact O-N 3.13Å; P521-A524 WeakPolarHBondContact O-CB 3.34Å; P521-A524 PolarHBondContact O-N 3.3Å
522	L	56	Low	51.7	Low	125 Å²	125	107.4 Å²	107.4	65%	0.654	55%	0.546	S	S	*	.	H	α-helix	trans	-46.3	-24.8	-178.1	-82	144.2	0	0	0	114	P520 A524 V526	P520-L522 PolarHBondContact O-N 2.94Å; L522-A524 VanDerWaalsContact C-N 3.34Å; L522-A524 PolarHBondContact O-N 3.03Å; L522-V526 VanDerWaalsContact O-CG2 3.27Å; L522-V526 WeakPolarHBondContact O-CG2 3.27Å; L522-V526 PolarHBondContact O-N 3.37Å
523	W	57.8	Low	53.5	Low	126 Å²	126	104.9 Å²	104.9	48%	0.477	53%	0.525	S	S	.	.	H	α-helix	trans	-67.6	-28.7	177.4	68	-107.6	0	0	0	113.8	I501 P521 V526 L527	I501-W523 HydrophobicContact CD1-CH2 3.36Å; I501-W523 HydrophobicContact CD1-CZ2 3.48Å; I501-W523 VanDerWaalsContact CD1-CZ2 3.48Å; I501-W523 HydrophobicContact CD1-CZ3 4.2Å; I501-W523 HydrophobicContact CG1-CH2 4.32Å; I501-W523 HydrophobicContact CG1-CZ2 4.09Å; P521-W523 HydrophobicContact CB-CG 4.23Å; P521-W523 HydrophobicContact CG-CD2 4.22Å; P521-W523 VanDerWaalsContact CG-CE2 3.43Å; P521-W523 HydrophobicContact CG-CG 4.31Å; P521-W523 HydrophobicContact CG-CZ2 3.85Å; P521-W523 PolarHBondContact O-N 3.13Å; W523-V526 PolarHBondContact O-N 3.43Å; W523-L527 HydrophobicContact CE3-CD1 3.41Å; W523-L527 VanDerWaalsContact CE3-CD1 3.41Å; W523-L527 HydrophobicContact CE3-CG 4.21Å; W523-L527 HydrophobicContact CZ3-CD1 3.49Å; W523-L527 VanDerWaalsContact CZ3-CD1 3.49Å; W523-L527 WeakPolarHBondContact O-CB 3.33Å; W523-L527 WeakPolarHBondContact O-CG 3.25Å; W523-L527 PolarHBondContact O-N 2.88Å
524	A	56.2	Low	55.2	Low	37 Å²	37	99.3 Å²	99.3	31%	0.306	50%	0.496	S	S	.	.	H	α-helix	trans	-68.5	-40.6	178.3	0	0	0	0	0	111.4	P521 L522 L527 K528	P521-A524 WeakPolarHBondContact O-CB 3.34Å; P521-A524 PolarHBondContact O-N 3.3Å; L522-A524 VanDerWaalsContact C-N 3.34Å; L522-A524 PolarHBondContact O-N 3.03Å; A524-L527 PolarHBondContact O-N 3.09Å; A524-K528 WeakPolarHBondContact O-CB 2.95Å; A524-K528 PolarHBondContact O-N 3.24Å
525	D	63.9	Low	56.9	Low	88 Å²	88	102.3 Å²	102.3	47%	0.471	49%	0.493	S	S	.	.	H	α-helix	trans	-67.3	-39.2	174.7	-68.5	-35.4	0	0	0	111.4	K528 L529	D525-K528 PolarHBondContact O-N 3.08Å; D525-L529 WeakPolarHBondContact O-CB 3.31Å; D525-L529 PolarHBondContact O-N 3.05Å
526	V	63.4	Low	58.9	Low	46 Å²	46	98.3 Å²	98.3	28%	0.279	48%	0.475	S	S	.	.	H	α-helix	trans	-62.4	-46.4	174.3	165.8	0	0	0	0	111.7	L422 L522 W523 K528 L529 L530	L422-V526 HydrophobicContact CB-CG1 4.48Å; L422-V526 HydrophobicContact CD1-CG1 3.46Å; L422-V526 VanDerWaalsContact CD1-CG1 3.46Å; L422-V526 HydrophobicContact CD2-CB 4.47Å; L422-V526 HydrophobicContact CD2-CG1 3.38Å; L422-V526 HydrophobicContact CD2-CG2 4.23Å; L422-V526 HydrophobicContact CG-CG1 3.94Å; L522-V526 VanDerWaalsContact O-CG2 3.27Å; L522-V526 WeakPolarHBondContact O-CG2 3.27Å; L522-V526 PolarHBondContact O-N 3.37Å; W523-V526 PolarHBondContact O-N 3.43Å; V526-K528 VanDerWaalsContact C-N 3.3Å; V526-K528 PolarHBondContact O-N 3.4Å; V526-L529 WeakPolarHBondContact O-CB 3.37Å; V526-L529 PolarHBondContact O-N 2.83Å; V526-L530 PolarHBondContact O-N 3.27Å
527	L	67.8	Low	60.8	Low	46 Å²	46	89.4 Å²	89.4	24%	0.241	44%	0.442	C	S	.	.	H	α-helix	trans	-63.3	-39	177	-78.5	-179.8	0	0	0	111.8	F419 A497 W523 A524 L529 L530 F531	F419-L527 HydrophobicContact CD2-CD2 4.32Å; F419-L527 HydrophobicContact CE2-CD2 3.77Å; A497-L527 HydrophobicContact CB-CD1 3.86Å; A497-L527 HydrophobicContact CB-CD2 4.2Å; W523-L527 HydrophobicContact CE3-CD1 3.41Å; W523-L527 VanDerWaalsContact CE3-CD1 3.41Å; W523-L527 HydrophobicContact CE3-CG 4.21Å; W523-L527 HydrophobicContact CZ3-CD1 3.49Å; W523-L527 VanDerWaalsContact CZ3-CD1 3.49Å; W523-L527 WeakPolarHBondContact O-CB 3.33Å; W523-L527 WeakPolarHBondContact O-CG 3.25Å; W523-L527 PolarHBondContact O-N 2.88Å; A524-L527 PolarHBondContact O-N 3.09Å; L527-L529 VanDerWaalsContact C-N 3.34Å; L527-L530 PolarHBondContact O-N 3.21Å; L527-F531 WeakPolarHBondContact O-CB 3.28Å; L527-F531 PolarHBondContact O-N 3.23Å
528	K	70.6	Confident	62.3	Low	122 Å²	122	87.7 Å²	87.7	53%	0.53	44%	0.435	S	S	.	.	H	α-helix	trans	-62.6	-42.6	173.9	-173.1	-178.5	175.3	-61.8	0	111.1	A524 D525 V526 F531 D532	A524-K528 WeakPolarHBondContact O-CB 2.95Å; A524-K528 PolarHBondContact O-N 3.24Å; D525-K528 PolarHBondContact O-N 3.08Å; V526-K528 VanDerWaalsContact C-N 3.3Å; V526-K528 PolarHBondContact O-N 3.4Å; K528-F531 PolarHBondContact O-N 3.18Å; K528-D532 IonicContact NZ-OD2 2.85Å; K528-D532 PolarHBondContact NZ-OD2 3.14Å; K528-D532 WeakPolarHBondContact O-CB 3.32Å; K528-D532 VanDerWaalsContact O-CG 3.24Å; K528-D532 PolarHBondContact O-N 3.42Å
529	L	71.4	Confident	64	Low	125 Å²	125	84.7 Å²	84.7	65%	0.654	43%	0.43	S	S	*	.	H	α-helix	trans	-61.6	-45.8	175.2	-111.7	139.2	0	0	0	112.5	D525 V526 L527 F531 D532 L533	D525-L529 WeakPolarHBondContact O-CB 3.31Å; D525-L529 PolarHBondContact O-N 3.05Å; V526-L529 WeakPolarHBondContact O-CB 3.37Å; V526-L529 PolarHBondContact O-N 2.83Å; L527-L529 VanDerWaalsContact C-N 3.34Å; L529-F531 VanDerWaalsContact C-N 3.3Å; L529-F531 PolarHBondContact O-N 2.99Å; L529-D532 PolarHBondContact O-N 3.43Å; L529-L533 VanDerWaalsContact O-CB 3.29Å; L529-L533 WeakPolarHBondContact O-CB 3.39Å; L529-L533 PolarHBondContact O-N 3.37Å
530	L	70	Confident	65.4	Low	28 Å²	28	78 Å²	78	15%	0.147	40%	0.403	C	S	.	.	H	α-helix	trans	-62.5	-38.2	175.2	-75.5	176.4	0	0	0	112	F419 L422 V526 L527 G534	F419-L530 HydrophobicContact CD2-CD1 4.11Å; L422-L530 HydrophobicContact CD1-CD1 3.58Å; L422-L530 HydrophobicContact CD1-CD2 4.09Å; L422-L530 HydrophobicContact CD1-CG 4Å; V526-L530 PolarHBondContact O-N 3.27Å; L527-L530 PolarHBondContact O-N 3.21Å; L530-G534 PolarHBondContact O-N 3.14Å
531	F	69.1	Low	66.2	Low	58 Å²	58	79.5 Å²	79.5	25%	0.254	40%	0.398	S	S	.	.	H	α-helix	trans	-69.2	-43.3	177.4	-171.5	-101.5	0	0	0	112.2	L527 K528 L529 L533 G534 R535	L527-F531 WeakPolarHBondContact O-CB 3.28Å; L527-F531 PolarHBondContact O-N 3.23Å; K528-F531 PolarHBondContact O-N 3.18Å; L529-F531 VanDerWaalsContact C-N 3.3Å; L529-F531 PolarHBondContact O-N 2.99Å; F531-L533 VanDerWaalsContact C-N 3.33Å; F531-G534 PolarHBondContact O-N 3.23Å; F531-R535 HydrophobicContact CE1-CG 4.26Å; F531-R535 PolarHBondContact O-N 3.24Å
532	D	73.7	Confident	65.9	Low	73 Å²	73	80.7 Å²	80.7	39%	0.39	41%	0.413	S	S	.	.	H	α-helix	trans	-64.2	-39.5	175.9	-71.7	-22.1	0	0	0	110.4	K528 L529 R535 F536	K528-D532 IonicContact NZ-OD2 2.85Å; K528-D532 PolarHBondContact NZ-OD2 3.14Å; K528-D532 WeakPolarHBondContact O-CB 3.32Å; K528-D532 VanDerWaalsContact O-CG 3.24Å; K528-D532 PolarHBondContact O-N 3.42Å; L529-D532 PolarHBondContact O-N 3.43Å; D532-R535 PolarHBondContact O-N 2.72Å; D532-F536 VanDerWaalsContact O-CB 3.27Å; D532-F536 WeakPolarHBondContact O-CB 3.42Å; D532-F536 PolarHBondContact O-N 3.37Å
533	L	73	Confident	65.8	Low	69 Å²	69	78.9 Å²	78.9	36%	0.361	42%	0.415	S	S	.	.	H	α-helix	trans	-64.5	-44.7	172.5	-175.5	64.8	0	0	0	111.9	L529 F531 R535 F536 L537	L529-L533 VanDerWaalsContact O-CB 3.29Å; L529-L533 WeakPolarHBondContact O-CB 3.39Å; L529-L533 PolarHBondContact O-N 3.37Å; F531-L533 VanDerWaalsContact C-N 3.33Å; L533-R535 VanDerWaalsContact C-N 3.35Å; L533-R535 PolarHBondContact O-N 3.34Å; L533-F536 WeakPolarHBondContact O-CB 3.26Å; L533-F536 PolarHBondContact O-N 3.16Å; L533-L537 HydrophobicContact CD1-CG 4.45Å; L533-L537 HydrophobicContact CG-CD1 4.18Å; L533-L537 WeakPolarHBondContact O-CB 3.42Å; L533-L537 VanDerWaalsContact O-CG 3.32Å; L533-L537 WeakPolarHBondContact O-CG 3.46Å; L533-L537 PolarHBondContact O-N 3.41Å
534	G	72.9	Confident	65	Low	0 Å²	0	82.8 Å²	82.8	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-60.6	-42.2	176.2	0	0	0	0	0	112.5	L530 F531 Q538	L530-G534 PolarHBondContact O-N 3.14Å; F531-G534 PolarHBondContact O-N 3.23Å; G534-Q538 WeakPolarHBondContact O-CB 3.2Å; G534-Q538 PolarHBondContact O-N 3.27Å
535	R	71	Confident	65.5	Low	152 Å²	152	85.1 Å²	85.1	57%	0.574	44%	0.438	S	S	*	.	H	α-helix	trans	-65.7	-40.7	172.8	-77.7	-165.3	175.1	-166.3	2.3	112.4	F531 D532 L533 Q538 A539	F531-R535 HydrophobicContact CE1-CG 4.26Å; F531-R535 PolarHBondContact O-N 3.24Å; D532-R535 PolarHBondContact O-N 2.72Å; L533-R535 VanDerWaalsContact C-N 3.35Å; L533-R535 PolarHBondContact O-N 3.34Å; R535-Q538 PolarHBondContact O-N 3Å; R535-A539 WeakPolarHBondContact O-CB 3.46Å; R535-A539 PolarHBondContact O-N 2.92Å
536	F	72.1	Confident	65.6	Low	103 Å²	103	84.9 Å²	84.9	45%	0.452	44%	0.436	S	S	.	.	H	α-helix	trans	-62.7	-45.3	177.7	178.4	-94.4	0	0	0	111.7	D532 L533 A539 N540 Y544	D532-F536 VanDerWaalsContact O-CB 3.27Å; D532-F536 WeakPolarHBondContact O-CB 3.42Å; D532-F536 PolarHBondContact O-N 3.37Å; L533-F536 WeakPolarHBondContact O-CB 3.26Å; L533-F536 PolarHBondContact O-N 3.16Å; F536-A539 PolarHBondContact O-N 3.14Å; F536-N540 WeakPolarHBondContact CD2-ND2 3.48Å; F536-N540 VanDerWaalsContact CE2-ND2 3.25Å; F536-N540 WeakPolarHBondContact CE2-ND2 3.19Å; F536-N540 WeakPolarHBondContact CZ-ND2 3.3Å; F536-N540 WeakPolarHBondContact O-CB 3.45Å; F536-N540 PolarHBondContact O-N 3.23Å; F536-N540 PolarHBondContact O-ND2 2.1Å; F536-Y544 HydrophobicContact CE1-CE2 4.32Å
537	L	68.1	Low	65.7	Low	27 Å²	27	87.1 Å²	87.1	14%	0.141	45%	0.445	C	S	.	.	H	α-helix	trans	-64.2	-40.4	175.4	-68.7	172.6	0	0	0	111.4	L411 L533 A539 N540 R541 Y544	L411-L537 HydrophobicContact CD2-CB 4.28Å; L411-L537 HydrophobicContact CD2-CD1 4.01Å; L533-L537 HydrophobicContact CD1-CG 4.45Å; L533-L537 HydrophobicContact CG-CD1 4.18Å; L533-L537 WeakPolarHBondContact O-CB 3.42Å; L533-L537 VanDerWaalsContact O-CG 3.32Å; L533-L537 WeakPolarHBondContact O-CG 3.46Å; L533-L537 PolarHBondContact O-N 3.41Å; L537-A539 PolarHBondContact O-N 2.83Å; L537-N540 CarbonylContact O-C 3.5Å; L537-N540 PolarHBondContact O-N 3.08Å; L537-R541 PolarHBondContact O-N 3.44Å; L537-R541 VanDerWaalsContact O-N 3.13Å; L537-Y544 HydrophobicContact CD2-CE2 4.22Å
538	Q	64.1	Low	65.6	Low	121 Å²	121	89.5 Å²	89.5	57%	0.565	46%	0.457	S	S	*	.	H	α-helix	trans	-64	-39	175.8	-170.3	175.9	12.1	0	0	112.5	F486 G534 R535	F486-Q538 HydrophobicContact CE1-CB 4.34Å; G534-Q538 WeakPolarHBondContact O-CB 3.2Å; G534-Q538 PolarHBondContact O-N 3.27Å; R535-Q538 PolarHBondContact O-N 3Å
539	A	69.8	Low	65.3	Low	83 Å²	83	87.5 Å²	87.5	69%	0.686	45%	0.452	S	S	*	.	H	α-helix	trans	-72.7	-31.5	178.5	0	0	0	0	0	113	R535 F536 L537	R535-A539 WeakPolarHBondContact O-CB 3.46Å; R535-A539 PolarHBondContact O-N 2.92Å; F536-A539 PolarHBondContact O-N 3.14Å; L537-A539 PolarHBondContact O-N 2.83Å
540	N	67.1	Low	64.8	Low	54 Å²	54	85 Å²	85	29%	0.289	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	19.3	-178.4	-66.2	-72.2	0	0	0	113.5	F536 L537 A542 A543 Y544	F536-N540 WeakPolarHBondContact CD2-ND2 3.48Å; F536-N540 VanDerWaalsContact CE2-ND2 3.25Å; F536-N540 WeakPolarHBondContact CE2-ND2 3.19Å; F536-N540 WeakPolarHBondContact CZ-ND2 3.3Å; F536-N540 WeakPolarHBondContact O-CB 3.45Å; F536-N540 PolarHBondContact O-N 3.23Å; F536-N540 PolarHBondContact O-ND2 2.1Å; L537-N540 CarbonylContact O-C 3.5Å; L537-N540 PolarHBondContact O-N 3.08Å; N540-A542 PolarHBondContact O-N 3.06Å; N540-A543 HydrophobicContact CB-CB 4.46Å; N540-A543 PolarHBondContact O-N 3.43Å; N540-Y544 HydrophobicContact CB-CD2 4.16Å; N540-Y544 HydrophobicContact CB-CE2 4.31Å; N540-Y544 PolarHBondContact O-N 3.16Å
541	R	60.3	Low	64.5	Low	124 Å²	124	89.1 Å²	89.1	47%	0.468	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-24.1	-179.3	-174.4	178.3	-179.7	176.7	7.8	114.7	N408 L537	N408-R541 PolarHBondContact OD1-NH2 3.09Å; L537-R541 PolarHBondContact O-N 3.44Å; L537-R541 VanDerWaalsContact O-N 3.13Å
542	A	46.5	Very low	64.1	Low	88 Å²	88	91.5 Å²	91.5	73%	0.727	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-9.1	178.9	0	0	0	0	0	114	N540	N540-A542 PolarHBondContact O-N 3.06Å
543	A	52.5	Low	63.3	Low	86 Å²	86	93 Å²	93	71%	0.711	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-23.5	-179.3	0	0	0	0	0	113	N540	N540-A543 HydrophobicContact CB-CB 4.46Å; N540-A543 PolarHBondContact O-N 3.43Å
544	Y	42.6	Very low	62.4	Low	209 Å²	209	95.2 Å²	95.2	82%	0.82	49%	0.494	S	S	*	.			trans	-91.8	0	164.5	-76	-85.8	0	0	0	109.5	F536 L537 N540	F536-Y544 HydrophobicContact CE1-CE2 4.32Å; L537-Y544 HydrophobicContact CD2-CE2 4.22Å; N540-Y544 HydrophobicContact CB-CD2 4.16Å; N540-Y544 HydrophobicContact CB-CE2 4.31Å; N540-Y544 PolarHBondContact O-N 3.16Å

Retrieved 544 of 544 residues in 1083 ms (Link to these results)

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