A0A077Z2D9_TRITR Loading...

Eyes absent homolog

AlphaFold DB , UniProt , Accession A0A077Z2D9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 681 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.6	Very low	29.7	Very low	237 Å²	237	124.9 Å²	124.9	100%	1.167	69%	0.693	S	S	*	*				0	124.3	0	-170.1	171.6	-174.7	0	0	105.9
2	S	26.2	Very low	29.9	Very low	110 Å²	110	123.7 Å²	123.7	77%	0.769	68%	0.684	S	S	*	*			trans	64.4	146.5	-165.7	-48.9	0	0	0	0	114.4
3	L	28.7	Very low	30.4	Very low	153 Å²	153	123.5 Å²	123.5	80%	0.801	69%	0.688	S	S	*	*			cis	-111.3	141.9	-11.1	-76.7	85.4	0	0	0	110.7
4	L	25.1	Very low	31	Very low	173 Å²	173	118.9 Å²	118.9	91%	0.906	66%	0.661	S	S	*	*			trans	-97.7	141.4	154	-80.2	158.8	0	0	0	107.5
5	M	28.4	Very low	31.9	Very low	150 Å²	150	114.5 Å²	114.5	74%	0.739	63%	0.632	S	S	*	*			trans	-116.3	143.7	153.4	-77.4	-167.7	173.7	0	0	108.1	F7	M5-F7 PolarHBondContact O-N 3.19Å
6	P	29.5	Very low	32.4	Very low	133 Å²	133	112.3 Å²	112.3	86%	0.864	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-70	119.6	-172	27.9	-34	0	0	0	110.6
7	F	29.8	Very low	33.2	Very low	125 Å²	125	114.9 Å²	114.9	55%	0.548	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-74.8	144	168.6	-98.8	-104.8	0	0	0	110.4	M5 S9 A11	M5-F7 PolarHBondContact O-N 3.19Å; F7-S9 PolarHBondContact O-N 3.43Å; F7-A11 HydrophobicContact CD1-CB 4.46Å
8	D	33.2	Very low	34.2	Very low	106 Å²	106	113.9 Å²	113.9	57%	0.567	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-57.4	136.3	171.6	-177.1	14.8	0	0	0	110.5	T10 A11	D8-T10 PolarHBondContact O-N 3.38Å; D8-T10 PolarHBondContact OD2-OG1 3.18Å; D8-A11 PolarHBondContact O-N 3.25Å
9	S	31.9	Very low	35.4	Very low	86 Å²	86	109.2 Å²	109.2	60%	0.601	61%	0.608	S	S	*	*	H	α-helix	trans	-61.8	-28.6	-172.8	-162.3	0	0	0	0	112	F7 A11 N12	F7-S9 PolarHBondContact O-N 3.43Å; S9-A11 VanDerWaalsContact C-N 3.3Å; S9-A11 PolarHBondContact O-N 2.86Å; S9-N12 PolarHBondContact O-N 3.49Å
10	T	32.2	Very low	37.2	Very low	84 Å²	84	110.3 Å²	110.3	52%	0.515	61%	0.607	S	S	.	*	H	α-helix	trans	-55.7	-39	176.3	58.8	0	0	0	0	113.3	D8 V13	D8-T10 PolarHBondContact O-N 3.38Å; D8-T10 PolarHBondContact OD2-OG1 3.18Å; T10-V13 PolarHBondContact O-N 2.83Å
11	A	32.9	Very low	38.9	Very low	17 Å²	17	106.7 Å²	106.7	14%	0.14	59%	0.586	C	S	.	*	H	α-helix	trans	-67.5	-43.8	-177.6	0	0	0	0	0	111.9	F7 D8 S9 V13 L14 F15	F7-A11 HydrophobicContact CD1-CB 4.46Å; D8-A11 PolarHBondContact O-N 3.25Å; S9-A11 VanDerWaalsContact C-N 3.3Å; S9-A11 PolarHBondContact O-N 2.86Å; A11-V13 PolarHBondContact O-N 3.2Å; A11-L14 PolarHBondContact O-N 3.45Å; A11-L14 VanDerWaalsContact O-N 3.08Å; A11-F15 HydrophobicContact CB-CE2 4.48Å; A11-F15 WeakPolarHBondContact O-CD2 3.15Å; A11-F15 PolarHBondContact O-N 2.95Å
12	N	32.1	Very low	40.9	Very low	110 Å²	110	95.9 Å²	95.9	59%	0.588	53%	0.533	S	S	*	.	H	α-helix	trans	-67.3	-21.4	-178	-68.7	-36.3	0	0	0	113.1	S9	S9-N12 PolarHBondContact O-N 3.49Å
13	V	36.3	Very low	43	Very low	122 Å²	122	91.5 Å²	91.5	74%	0.739	50%	0.502	S	S	*	.	H	α-helix	trans	-77.1	-27.1	174.2	177.9	0	0	0	0	112.1	T10 A11	T10-V13 PolarHBondContact O-N 2.83Å; A11-V13 PolarHBondContact O-N 3.2Å
14	L	39.6	Very low	45.1	Very low	58 Å²	58	87 Å²	87	30%	0.304	48%	0.476	S	S	.	.	H	α-helix	trans	-82.7	-30.5	177.1	-71.3	156.4	0	0	0	112.5	A11 S16 V679	A11-L14 PolarHBondContact O-N 3.45Å; A11-L14 VanDerWaalsContact O-N 3.08Å; L14-S16 PolarHBondContact O-N 3.12Å; L14-V679 HydrophobicContact CD1-CG1 3.75Å
15	F	44.4	Very low	47.4	Very low	53 Å²	53	78.9 Å²	78.9	23%	0.232	44%	0.435	C	S	.	.			trans	-98.9	63.7	178.7	-56.8	-62.4	0	0	0	112.4	A11 C19 L22 V681	A11-F15 HydrophobicContact CB-CE2 4.48Å; A11-F15 WeakPolarHBondContact O-CD2 3.15Å; A11-F15 PolarHBondContact O-N 2.95Å; F15-C19 HydrophobicContact CD1-CB 4.23Å; F15-L22 HydrophobicContact CE1-CB 4.14Å; F15-V681 HydrophobicContact CZ-CG1 3.91Å; F15-V681 HydrophobicContact CZ-CG2 4.43Å
16	S	40.3	Very low	49.7	Very low	80 Å²	80	72 Å²	72	56%	0.559	40%	0.401	S	S	*	.			trans	-56.8	158	154.8	-168.2	0	0	0	0	110	L14 D18 C19	L14-S16 PolarHBondContact O-N 3.12Å; S16-D18 PolarHBondContact O-N 3.22Å; S16-C19 PolarHBondContact O-N 3.2Å
17	N	45.5	Very low	52	Low	156 Å²	156	70.1 Å²	70.1	83%	0.834	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-51.8	-26.3	-159.6	-67.4	-52.3	0	0	0	116.1	C19	N17-C19 PolarHBondContact O-N 2.9Å
18	D	50.8	Low	54.1	Low	97 Å²	97	67.5 Å²	67.5	52%	0.519	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-49.1	-20.1	177.6	-65.1	32.8	0	0	0	116.6	S16 K600	S16-D18 PolarHBondContact O-N 3.22Å; D18-K600 IonicContact OD2-NZ 3.31Å; D18-K600 PolarHBondContact OD2-NZ 2.84Å
19	C	57.9	Low	55.9	Low	24 Å²	24	62.6 Å²	62.6	16%	0.162	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-129.6	37.8	-163.4	-77.9	0	0	0	0	115	F15 S16 N17 E21 L22 S23	F15-C19 HydrophobicContact CD1-CB 4.23Å; S16-C19 PolarHBondContact O-N 3.2Å; N17-C19 PolarHBondContact O-N 2.9Å; C19-E21 VanDerWaalsContact C-N 3.29Å; C19-E21 PolarHBondContact O-N 3.13Å; C19-L22 HydrophobicContact CB-CB 4.25Å; C19-L22 HydrophobicContact CB-CD1 4.1Å; C19-L22 PolarHBondContact O-N 2.59Å; C19-S23 PolarHBondContact O-N 2.81Å; C19-S23 VanDerWaalsContact O-N 3.13Å
20	F	70	Confident	57.5	Low	131 Å²	131	62.8 Å²	62.8	58%	0.575	33%	0.329	S	S	*	.	H	α-helix	trans	-50.6	-44.6	173	178.6	-95.6	0	0	0	113.2	S23 Q24	F20-S23 WeakPolarHBondContact O-CA 3.46Å; F20-S23 VanDerWaalsContact O-CB 3.29Å; F20-S23 WeakPolarHBondContact O-CB 3.25Å; F20-S23 PolarHBondContact O-N 3.27Å; F20-S23 VanDerWaalsContact O-N 3.1Å; F20-S23 PolarHBondContact O-OG 3.24Å; F20-Q24 HydrophobicContact CD1-CG 4.25Å; F20-Q24 HydrophobicContact CE1-CG 3.95Å; F20-Q24 HydrophobicContact CZ-CG 4.41Å; F20-Q24 PolarHBondContact O-N 2.95Å; F20-Q24 VanDerWaalsContact O-N 3.14Å
21	E	74.1	Confident	58.9	Low	36 Å²	36	62.4 Å²	62.4	17%	0.168	33%	0.327	C	S	.	.	H	α-helix	trans	-66.1	-39.5	-178.4	-60	-73.4	-161.6	0	0	112	C19 S23 Q24 V25 L589 K592 C593 L596	C19-E21 VanDerWaalsContact C-N 3.29Å; C19-E21 PolarHBondContact O-N 3.13Å; E21-S23 PolarHBondContact O-N 3.1Å; E21-Q24 WeakPolarHBondContact O-CA 3.25Å; E21-Q24 WeakPolarHBondContact O-CB 3.33Å; E21-Q24 PolarHBondContact O-N 3.05Å; E21-V25 PolarHBondContact O-N 3.22Å; E21-L589 WeakPolarHBondContact OE2-CD2 3.45Å; E21-K592 HydrophobicContact CG-CB 4.4Å; E21-K592 HydrophobicContact CG-CD 4.18Å; E21-K592 WeakPolarHBondContact OE1-CD 3.26Å; E21-K592 WeakPolarHBondContact OE1-CE 3.32Å; E21-K592 IonicContact OE1-NZ 3.99Å; E21-K592 PolarHBondContact OE1-NZ 2.75Å; E21-K592 IonicContact OE2-NZ 2.66Å; E21-C593 VanDerWaalsContact CB-SG 3.57Å; E21-C593 PolarHBondContact O-SG 2.99Å; E21-L596 HydrophobicContact CB-CD1 4.44Å; E21-L596 HydrophobicContact CG-CD1 4.29Å
22	L	69.2	Low	60.1	Low	10 Å²	10	62.7 Å²	62.7	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-61.5	-35.4	171.7	-77.4	177.3	0	0	0	111.5	F15 C19 Q24 V25 S26 F431 W433 C593 I597	F15-L22 HydrophobicContact CE1-CB 4.14Å; C19-L22 HydrophobicContact CB-CB 4.25Å; C19-L22 HydrophobicContact CB-CD1 4.1Å; C19-L22 PolarHBondContact O-N 2.59Å; L22-Q24 PolarHBondContact O-N 3.37Å; L22-V25 PolarHBondContact O-N 2.81Å; L22-S26 WeakPolarHBondContact O-CB 3.37Å; L22-S26 PolarHBondContact O-N 3.39Å; L22-F431 HydrophobicContact CD1-CE1 3.91Å; L22-F431 HydrophobicContact CD1-CZ 4.45Å; L22-W433 HydrophobicContact CD2-CH2 3.58Å; L22-W433 HydrophobicContact CD2-CZ2 3.88Å; L22-C593 HydrophobicContact CD2-CB 3.68Å; L22-C593 HydrophobicContact CG-CB 4.22Å; L22-C593 PolarHBondContact N-SG 3.19Å; L22-C593 VanDerWaalsContact N-SG 3.42Å; L22-I597 HydrophobicContact CD1-CD1 4.34Å; L22-I597 HydrophobicContact CD2-CD1 4.44Å
23	S	72.1	Confident	61.2	Low	18 Å²	18	62 Å²	62	13%	0.126	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-31.2	172.8	92.7	0	0	0	0	112.2	C19 F20 E21 K27	C19-S23 PolarHBondContact O-N 2.81Å; C19-S23 VanDerWaalsContact O-N 3.13Å; F20-S23 WeakPolarHBondContact O-CA 3.46Å; F20-S23 VanDerWaalsContact O-CB 3.29Å; F20-S23 WeakPolarHBondContact O-CB 3.25Å; F20-S23 PolarHBondContact O-N 3.27Å; F20-S23 VanDerWaalsContact O-N 3.1Å; F20-S23 PolarHBondContact O-OG 3.24Å; E21-S23 PolarHBondContact O-N 3.1Å; S23-K27 WeakPolarHBondContact O-CB 3.45Å; S23-K27 WeakPolarHBondContact O-CD 3.4Å; S23-K27 WeakPolarHBondContact O-CE 3.24Å; S23-K27 WeakPolarHBondContact O-CG 3.46Å; S23-K27 PolarHBondContact O-N 3.49Å; S23-K27 PolarHBondContact OG-NZ 3.33Å
24	Q	71.4	Confident	62	Low	57 Å²	57	59.8 Å²	59.8	27%	0.266	32%	0.316	S	S	.	.	H	α-helix	trans	-75.1	-39.9	176	-59.5	-61.5	-5.2	0	0	111.7	F20 E21 L22 K27 R28	F20-Q24 HydrophobicContact CD1-CG 4.25Å; F20-Q24 HydrophobicContact CE1-CG 3.95Å; F20-Q24 HydrophobicContact CZ-CG 4.41Å; F20-Q24 PolarHBondContact O-N 2.95Å; F20-Q24 VanDerWaalsContact O-N 3.14Å; E21-Q24 WeakPolarHBondContact O-CA 3.25Å; E21-Q24 WeakPolarHBondContact O-CB 3.33Å; E21-Q24 PolarHBondContact O-N 3.05Å; L22-Q24 PolarHBondContact O-N 3.37Å; Q24-K27 PolarHBondContact O-N 2.92Å; Q24-R28 WeakPolarHBondContact O-CG 3.17Å; Q24-R28 PolarHBondContact O-N 3.21Å
25	V	74.1	Confident	62.1	Low	4 Å²	4	60.6 Å²	60.6	2%	0.024	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-51.4	172.8	175.3	0	0	0	0	110.4	E21 L22 K27 R28 L29 W433 L589 V590 C593	E21-V25 PolarHBondContact O-N 3.22Å; L22-V25 PolarHBondContact O-N 2.81Å; V25-K27 VanDerWaalsContact C-N 3.3Å; V25-K27 PolarHBondContact O-N 2.97Å; V25-R28 WeakPolarHBondContact O-CA 3.42Å; V25-R28 PolarHBondContact O-N 2.97Å; V25-L29 HydrophobicContact CG1-CD1 3.9Å; V25-L29 HydrophobicContact CG1-CG 4.24Å; V25-L29 WeakPolarHBondContact O-CG 3.41Å; V25-L29 PolarHBondContact O-N 2.94Å; V25-W433 HydrophobicContact CG1-CZ3 4.48Å; V25-L589 HydrophobicContact CG2-CB 4.3Å; V25-V590 HydrophobicContact CG2-CG2 4.47Å; V25-C593 VanDerWaalsContact CG2-SG 3.58Å
26	S	76.2	Confident	61.7	Low	6 Å²	6	64.1 Å²	64.1	4%	0.042	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-35.5	177	-179.3	0	0	0	0	113	L22 K30 V681	L22-S26 WeakPolarHBondContact O-CB 3.37Å; L22-S26 PolarHBondContact O-N 3.39Å; S26-K30 WeakPolarHBondContact O-CB 3.28Å; S26-K30 WeakPolarHBondContact O-CD 3.26Å; S26-K30 WeakPolarHBondContact O-CG 3.43Å; S26-K30 PolarHBondContact O-N 2.96Å; S26-K30 PolarHBondContact OG-NZ 2.86Å; S26-V681 PolarHBondContact OG-OXT 3.14Å
27	K	77.3	Confident	61.7	Low	92 Å²	92	68.7 Å²	68.7	40%	0.4	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-42.5	171.1	-75.9	159.9	-165.4	150.6	0	112.1	S23 Q24 V25 K30 V31	S23-K27 WeakPolarHBondContact O-CB 3.45Å; S23-K27 WeakPolarHBondContact O-CD 3.4Å; S23-K27 WeakPolarHBondContact O-CE 3.24Å; S23-K27 WeakPolarHBondContact O-CG 3.46Å; S23-K27 PolarHBondContact O-N 3.49Å; S23-K27 PolarHBondContact OG-NZ 3.33Å; Q24-K27 PolarHBondContact O-N 2.92Å; V25-K27 VanDerWaalsContact C-N 3.3Å; V25-K27 PolarHBondContact O-N 2.97Å; K27-K30 PolarHBondContact O-N 3.47Å; K27-V31 WeakPolarHBondContact O-CG2 3.38Å; K27-V31 PolarHBondContact O-N 3.42Å; K27-V31 VanDerWaalsContact O-N 3.15Å
28	R	74.8	Confident	61.1	Low	71 Å²	71	64.6 Å²	64.6	27%	0.268	37%	0.366	S	S	.	.	H	α-helix	trans	-66.2	-46.8	176.7	-74.5	-174.1	176.6	-155.4	2.2	111.6	Q24 V25 K30 V31 E32 T583 D584 W586 L589	Q24-R28 WeakPolarHBondContact O-CG 3.17Å; Q24-R28 PolarHBondContact O-N 3.21Å; V25-R28 WeakPolarHBondContact O-CA 3.42Å; V25-R28 PolarHBondContact O-N 2.97Å; R28-K30 VanDerWaalsContact C-N 3.29Å; R28-K30 PolarHBondContact O-N 3.01Å; R28-V31 CarbonylContact O-C 3.55Å; R28-V31 WeakPolarHBondContact O-CA 3.47Å; R28-V31 WeakPolarHBondContact O-CB 3.44Å; R28-V31 PolarHBondContact O-N 2.73Å; R28-E32 PolarHBondContact O-N 2.77Å; R28-T583 PolarHBondContact NH1-O 3.38Å; R28-D584 PolarHBondContact NH1-O 3.4Å; R28-D584 PolarHBondContact NH2-O 3.19Å; R28-W586 HydrophobicContact CB-CE3 4.32Å; R28-W586 HydrophobicContact CB-CH2 4.01Å; R28-W586 HydrophobicContact CB-CZ3 3.67Å; R28-W586 HydrophobicContact CG-CZ3 4.41Å; R28-L589 VanDerWaalsContact CZ-CD1 3.48Å
29	L	70.7	Confident	60.2	Low	3 Å²	3	67.9 Å²	67.9	2%	0.016	38%	0.379	C	S	.	.	H	α-helix	trans	-57.9	-38.6	174.5	-64.8	171.7	0	0	0	112.5	V25 V31 E32 N33 W586 V662 D664	V25-L29 HydrophobicContact CG1-CD1 3.9Å; V25-L29 HydrophobicContact CG1-CG 4.24Å; V25-L29 WeakPolarHBondContact O-CG 3.41Å; V25-L29 PolarHBondContact O-N 2.94Å; L29-V31 VanDerWaalsContact C-N 3.31Å; L29-V31 PolarHBondContact O-N 3.24Å; L29-E32 WeakPolarHBondContact O-CB 3.44Å; L29-E32 PolarHBondContact O-N 3.09Å; L29-N33 PolarHBondContact O-N 3.37Å; L29-W586 HydrophobicContact CD2-CH2 4.03Å; L29-W586 HydrophobicContact CD2-CZ2 3.92Å; L29-V662 HydrophobicContact CD1-CG1 3.9Å; L29-D664 HydrophobicContact CD2-CB 4.13Å
30	K	66.9	Low	59.1	Low	89 Å²	89	72.9 Å²	72.9	39%	0.387	41%	0.411	S	S	.	.	H	α-helix	trans	-69.8	-27.1	175.3	-76.9	164.2	-177.1	148.3	0	113.2	S26 K27 R28 A34 V681	S26-K30 WeakPolarHBondContact O-CB 3.28Å; S26-K30 WeakPolarHBondContact O-CD 3.26Å; S26-K30 WeakPolarHBondContact O-CG 3.43Å; S26-K30 PolarHBondContact O-N 2.96Å; S26-K30 PolarHBondContact OG-NZ 2.86Å; K27-K30 PolarHBondContact O-N 3.47Å; R28-K30 VanDerWaalsContact C-N 3.29Å; R28-K30 PolarHBondContact O-N 3.01Å; K30-A34 VanDerWaalsContact O-CB 3.25Å; K30-A34 WeakPolarHBondContact O-CB 3.43Å; K30-A34 PolarHBondContact O-N 3.43Å; K30-A34 VanDerWaalsContact O-N 3.1Å; K30-V681 WeakPolarHBondContact CE-OXT 3.34Å; K30-V681 PolarHBondContact NZ-OXT 3.23Å
31	V	60.2	Low	57.5	Low	76 Å²	76	75 Å²	75	46%	0.461	42%	0.423	S	S	.	.	H	α-helix	trans	-75	-36.2	168.2	173	0	0	0	0	111.3	K27 R28 L29 N33 A34 K453 F454	K27-V31 WeakPolarHBondContact O-CG2 3.38Å; K27-V31 PolarHBondContact O-N 3.42Å; K27-V31 VanDerWaalsContact O-N 3.15Å; R28-V31 CarbonylContact O-C 3.55Å; R28-V31 WeakPolarHBondContact O-CA 3.47Å; R28-V31 WeakPolarHBondContact O-CB 3.44Å; R28-V31 PolarHBondContact O-N 2.73Å; L29-V31 VanDerWaalsContact C-N 3.31Å; L29-V31 PolarHBondContact O-N 3.24Å; V31-N33 PolarHBondContact O-N 2.71Å; V31-A34 PolarHBondContact O-N 2.76Å; V31-K453 WeakPolarHBondContact O-CE 3.36Å; V31-K453 PolarHBondContact O-NZ 3.03Å; V31-F454 HydrophobicContact CG1-CE1 4.11Å; V31-F454 HydrophobicContact CG1-CZ 4.32Å
32	E	58.1	Low	55.6	Low	24 Å²	24	84.8 Å²	84.8	11%	0.112	46%	0.458	C	S	.	.	H	α-helix	trans	-54.6	-49.6	171.8	-150.2	71.4	-122.8	0	0	110.9	R28 L29 S35 K453 W586	R28-E32 PolarHBondContact O-N 2.77Å; L29-E32 WeakPolarHBondContact O-CB 3.44Å; L29-E32 PolarHBondContact O-N 3.09Å; E32-S35 PolarHBondContact O-OG 2.78Å; E32-K453 PolarHBondContact O-NZ 3.3Å; E32-W586 WeakPolarHBondContact OE2-CH2 3.44Å; E32-W586 WeakPolarHBondContact OE2-CZ3 3.16Å
33	N	55.6	Low	53.8	Low	96 Å²	96	87.4 Å²	87.4	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-76.5	-25	179.7	-82	-31.8	0	0	0	114.8	L29 V31 S35 D664	L29-N33 PolarHBondContact O-N 3.37Å; V31-N33 PolarHBondContact O-N 2.71Å; N33-S35 PolarHBondContact O-N 3.44Å; N33-D664 PolarHBondContact ND2-O 2.84Å; N33-D664 PolarHBondContact OD1-O 3.32Å
34	A	53.1	Low	51.9	Low	74 Å²	74	92.3 Å²	92.3	61%	0.612	52%	0.522	S	S	*	.			trans	-75.4	62.3	173.1	0	0	0	0	0	112.1	K30 V31	K30-A34 VanDerWaalsContact O-CB 3.25Å; K30-A34 WeakPolarHBondContact O-CB 3.43Å; K30-A34 PolarHBondContact O-N 3.43Å; K30-A34 VanDerWaalsContact O-N 3.1Å; V31-A34 PolarHBondContact O-N 2.76Å
35	S	41.1	Very low	50.3	Low	75 Å²	75	95.5 Å²	95.5	52%	0.524	55%	0.545	S	S	.	.			trans	-86.5	127.8	171.9	-67.9	0	0	0	0	110.4	E32 N33 L37 K453	E32-S35 PolarHBondContact O-OG 2.78Å; N33-S35 PolarHBondContact O-N 3.44Å; S35-L37 PolarHBondContact O-N 3.34Å; S35-K453 PolarHBondContact OG-NZ 2.95Å
36	P	37	Very low	48.3	Very low	127 Å²	127	105.1 Å²	105.1	83%	0.825	59%	0.587	S	S	*	*			trans	-76.4	91.6	-173.2	30.4	-35.1	0	0	0	111.6	G38	P36-G38 VanDerWaalsContact C-N 3.26Å; P36-G38 PolarHBondContact O-N 3.05Å
37	L	39	Very low	46.4	Very low	176 Å²	176	111.7 Å²	111.7	92%	0.921	62%	0.621	S	S	*	*			trans	-65.7	91.4	156.4	-88.2	166.7	0	0	0	108.3	S35 E39	S35-L37 PolarHBondContact O-N 3.34Å; L37-E39 PolarHBondContact O-N 2.85Å
38	G	34.3	Very low	44.3	Very low	70 Å²	70	112.4 Å²	112.4	72%	0.722	64%	0.638	S	S	*	*			trans	-63.9	117.8	177.9	0	0	0	0	0	111.1	P36	P36-G38 VanDerWaalsContact C-N 3.26Å; P36-G38 PolarHBondContact O-N 3.05Å
39	E	31.9	Very low	42.4	Very low	167 Å²	167	116.9 Å²	116.9	78%	0.78	67%	0.666	S	S	*	*			trans	-58.7	140.9	164.2	-67.4	-171.4	124.5	0	0	109.7	L37 Q41	L37-E39 PolarHBondContact O-N 2.85Å; E39-Q41 VanDerWaalsContact C-N 3.29Å; E39-Q41 PolarHBondContact O-N 3.28Å
40	P	35	Very low	40.5	Very low	128 Å²	128	121.7 Å²	121.7	83%	0.831	70%	0.701	S	S	*	*			trans	-71.5	87	174.4	30	-33.9	0	0	0	109.9	R42	P40-R42 PolarHBondContact O-N 3.31Å
41	Q	35	Very low	39	Very low	176 Å²	176	121 Å²	121	82%	0.822	72%	0.718	S	S	*	*			trans	-49.6	107.9	166.2	-87.2	-75.8	-25.9	0	0	109	E39 G43	E39-Q41 VanDerWaalsContact C-N 3.29Å; E39-Q41 PolarHBondContact O-N 3.28Å; Q41-G43 VanDerWaalsContact C-N 3.29Å; Q41-G43 PolarHBondContact O-N 2.81Å
42	R	34.6	Very low	37.7	Very low	242 Å²	242	124.8 Å²	124.8	91%	0.913	73%	0.734	S	S	*	*			trans	-75.5	82.4	-172.9	-168.4	-172.3	-130.7	-155.8	3.8	109.5	P40 S44	P40-R42 PolarHBondContact O-N 3.31Å; R42-S44 PolarHBondContact O-N 3.42Å
43	G	32.7	Very low	36.7	Very low	64 Å²	64	130.1 Å²	130.1	66%	0.66	76%	0.762	S	S	*	*			trans	-51.2	123.2	-176.4	0	0	0	0	0	112.6	Q41 T45	Q41-G43 VanDerWaalsContact C-N 3.29Å; Q41-G43 PolarHBondContact O-N 2.81Å; G43-T45 PolarHBondContact O-N 2.8Å
44	S	30.9	Very low	35.8	Very low	122 Å²	122	132.6 Å²	132.6	85%	0.853	78%	0.775	S	S	*	*			trans	-72.6	119.8	173.2	53.8	0	0	0	0	110.1	R42	R42-S44 PolarHBondContact O-N 3.42Å
45	T	38.3	Very low	35.1	Very low	123 Å²	123	134.5 Å²	134.5	76%	0.755	78%	0.782	S	S	*	*			trans	-134.2	128.4	173.8	45.4	0	0	0	0	112.4	G43	G43-T45 PolarHBondContact O-N 2.8Å
46	F	32.7	Very low	34.9	Very low	206 Å²	206	139.7 Å²	139.7	90%	0.904	80%	0.803	S	S	*	*			trans	74.3	122.8	162.2	-89.9	-94.1	0	0	0	120.3
47	D	34.8	Very low	34.9	Very low	144 Å²	144	143 Å²	143	77%	0.77	80%	0.804	S	S	*	*			trans	-80.5	175.5	174.2	-53.7	-91.6	0	0	0	113.9
48	S	34.9	Very low	35.2	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	79%	0.791	S	S	*	*			trans	97.3	141.9	147.8	-55.7	0	0	0	0	118.9
49	L	33.5	Very low	35.4	Very low	164 Å²	164	142.3 Å²	142.3	86%	0.859	79%	0.786	S	S	*	*			trans	72	131.3	172	-50.6	179.1	0	0	0	116.9
50	S	31.8	Very low	35.7	Very low	105 Å²	105	144.7 Å²	144.7	73%	0.734	79%	0.788	S	S	*	*			cis	176.3	128	-41.2	42.3	0	0	0	0	108.7
51	G	34.6	Very low	35.9	Very low	73 Å²	73	142.3 Å²	142.3	75%	0.753	79%	0.787	S	S	*	*			trans	85.4	163.4	173.5	0	0	0	0	0	115.4
52	I	34	Very low	35.8	Very low	157 Å²	157	144 Å²	144	81%	0.805	79%	0.792	S	S	*	*			cis	-154.9	139.6	0.7	-124.1	163.9	0	0	0	111.6
53	I	37.1	Very low	36.5	Very low	136 Å²	136	137.8 Å²	137.8	70%	0.697	78%	0.783	S	S	*	*			trans	62.5	99.8	156.5	-59.9	171.8	0	0	0	119.7
54	D	36.3	Very low	36.8	Very low	147 Å²	147	139.6 Å²	139.6	79%	0.786	79%	0.791	S	S	*	*				58.3	138.3	123.8	-50.5	-28.5	0	0	0	124.9
55	P	37.8	Very low	37.3	Very low	115 Å²	115	137.3 Å²	137.3	75%	0.747	79%	0.787	S	S	*	*			trans	-108.2	169.4	175.5	41.9	-35.1	0	0	0	114.8
56	L	37.7	Very low	37.4	Very low	184 Å²	184	136.4 Å²	136.4	96%	0.963	79%	0.792	S	S	*	*			trans	-131.1	158.6	156.9	-76.1	177.4	0	0	0	111.7
57	K	37.1	Very low	37.8	Very low	197 Å²	197	131.3 Å²	131.3	86%	0.857	78%	0.782	S	S	*	*			trans	-146.7	-174.6	-160.8	-151.1	-169.8	-178.2	-178.2	0	109.2
58	P	43.6	Very low	38	Very low	99 Å²	99	130.6 Å²	130.6	64%	0.643	78%	0.778	S	S	*	*				-96.8	-164.3	-85.2	32.3	-13.8	0	0	0	112.7
59	E	38.8	Very low	38.3	Very low	131 Å²	131	132.3 Å²	132.3	61%	0.612	78%	0.777	S	S	*	*				175.4	145.5	117.3	-85.6	-114.6	93.3	0	0	115.5
60	R	37.4	Very low	38.4	Very low	217 Å²	217	129.1 Å²	129.1	82%	0.819	77%	0.769	S	S	*	*			trans	42.6	129.6	153.9	-57.7	178.4	-144	-117.4	-6.2	123
61	G	39.2	Very low	38.7	Very low	79 Å²	79	130.5 Å²	130.5	81%	0.814	77%	0.773	S	S	*	*			trans	175.1	101.7	158.7	0	0	0	0	0	115.2
62	F	34.6	Very low	38.7	Very low	211 Å²	211	134.7 Å²	134.7	93%	0.925	77%	0.773	S	S	*	*			trans	-150.2	171.6	179.4	-101.9	-55.5	0	0	0	108
63	P	48.5	Very low	38.6	Very low	112 Å²	112	134.2 Å²	134.2	73%	0.727	78%	0.777	S	S	*	*			cis	-135.3	-162.7	-24.1	39.8	-21.1	0	0	0	112.8
64	A	39.3	Very low	38.3	Very low	101 Å²	101	132.2 Å²	132.2	84%	0.835	77%	0.771	S	S	*	*			trans	132.4	145.3	133.7	0	0	0	0	0	118.4
65	G	41	Very low	38.2	Very low	74 Å²	74	132 Å²	132	76%	0.763	77%	0.774	S	S	*	*			trans	103.6	96.3	176	0	0	0	0	0	113.3
66	A	40	Very low	37.9	Very low	104 Å²	104	133.9 Å²	133.9	86%	0.86	77%	0.773	S	S	*	*				65.5	118.7	70.3	0	0	0	0	0	113.1
67	S	41.4	Very low	37.6	Very low	99 Å²	99	130.9 Å²	130.9	69%	0.692	77%	0.768	S	S	*	*			cis	-154.9	-165.9	1.2	58.6	0	0	0	0	109.8
68	D	40.3	Very low	37.5	Very low	129 Å²	129	128.3 Å²	128.3	69%	0.69	76%	0.762	S	S	*	*			cis	-161.5	179.9	15.9	-132.4	-44.6	0	0	0	115.4
69	I	39.3	Very low	36.9	Very low	145 Å²	145	131.4 Å²	131.4	74%	0.744	77%	0.773	S	S	*	*			trans	-31.4	151.7	164.7	-73.3	162.2	0	0	0	117.3
70	S	36	Very low	36.8	Very low	97 Å²	97	134.1 Å²	134.1	68%	0.678	79%	0.786	S	S	*	*			cis	-171.1	156.9	-18.6	-82.4	0	0	0	0	106.7
71	T	39.4	Very low	36.6	Very low	134 Å²	134	128.3 Å²	128.3	82%	0.822	78%	0.778	S	S	*	*				-169.7	140	57.7	-49.7	0	0	0	0	110
72	E	33.4	Very low	36.4	Very low	160 Å²	160	131.2 Å²	131.2	75%	0.748	78%	0.775	S	S	*	*			trans	-106.6	163.9	175.5	-72.4	-170.3	116.3	0	0	113.4
73	V	32.9	Very low	36.5	Very low	147 Å²	147	129.6 Å²	129.6	89%	0.891	77%	0.771	S	S	*	*			trans	-134.8	111	141.5	179.7	0	0	0	0	108.7
74	V	30.3	Very low	35.8	Very low	95 Å²	95	129.2 Å²	129.2	58%	0.576	77%	0.771	S	S	*	*			trans	-139.7	137.2	175.4	177.6	0	0	0	0	109.7
75	V	33.8	Very low	35.7	Very low	141 Å²	141	129.1 Å²	129.1	86%	0.855	76%	0.764	S	S	*	*			trans	-139.4	85.9	164.8	-176.7	0	0	0	0	105.5
76	Q	31.5	Very low	35.6	Very low	155 Å²	155	131.2 Å²	131.2	72%	0.724	77%	0.767	S	S	*	*				71.1	105.8	65	-159.9	176.7	54.4	0	0	112.4
77	S	31.1	Very low	35.4	Very low	122 Å²	122	130.2 Å²	130.2	85%	0.853	76%	0.759	S	S	*	*			trans	-97.2	146.2	174.4	-50.7	0	0	0	0	110.4
78	I	35.2	Very low	34.9	Very low	142 Å²	142	131.4 Å²	131.4	73%	0.728	77%	0.766	S	S	*	*			trans	-120.2	124.4	175	-62	175.1	0	0	0	109.4
79	N	31.3	Very low	34.6	Very low	164 Å²	164	130 Å²	130	88%	0.877	77%	0.766	S	S	*	*			trans	-113.3	130	160.5	-99.1	-13.6	0	0	0	107.6
80	Q	36.1	Very low	34.4	Very low	188 Å²	188	129.4 Å²	129.4	88%	0.879	78%	0.775	S	S	*	*			trans	-137	164.5	158.8	-78.2	-163.3	-5.2	0	0	109.2
81	S	33.7	Very low	34.3	Very low	95 Å²	95	128.5 Å²	128.5	66%	0.664	78%	0.78	S	S	*	*			trans	-126.8	173.5	-146.8	46.7	0	0	0	0	114.7
82	D	35.6	Very low	34.1	Very low	140 Å²	140	127.6 Å²	127.6	75%	0.749	78%	0.78	S	S	*	*			trans	107.2	153.9	142.9	-61.3	-53.8	0	0	0	121
83	Q	36.6	Very low	33.9	Very low	177 Å²	177	125.2 Å²	125.2	83%	0.827	78%	0.78	S	S	*	*			trans	85.1	81	162.5	-45.5	-157.2	26.8	0	0	118.5
84	S	33.8	Very low	34	Very low	104 Å²	104	126.5 Å²	126.5	73%	0.727	78%	0.78	S	S	*	*				16.2	139.5	123.7	59.8	0	0	0	0	118.5
85	S	37.2	Very low	33.9	Very low	99 Å²	99	127.3 Å²	127.3	69%	0.692	79%	0.79	S	S	*	*				175.8	151.2	70.4	42.9	0	0	0	0	114
86	S	38	Very low	34.1	Very low	119 Å²	119	125.1 Å²	125.1	83%	0.832	79%	0.787	S	S	*	*			trans	62.3	160	155.1	71.3	0	0	0	0	119.7
87	A	35.8	Very low	34.1	Very low	83 Å²	83	126 Å²	126	69%	0.686	80%	0.797	S	S	*	*			cis	-167.8	157.8	-34.8	0	0	0	0	0	109.4
88	C	31.8	Very low	34.3	Very low	124 Å²	124	123.5 Å²	123.5	84%	0.838	79%	0.791	S	S	*	*			trans	65.9	161.5	165.3	-60.1	0	0	0	0	118.3
89	S	33.7	Very low	34.4	Very low	100 Å²	100	122.7 Å²	122.7	70%	0.699	80%	0.798	S	S	*	*			cis	176.8	143.6	-45.1	-98.8	0	0	0	0	109.4
90	S	36.1	Very low	34.6	Very low	132 Å²	132	120.4 Å²	120.4	92%	0.923	79%	0.794	S	S	*	*			trans	66.2	154.4	168.1	76.8	0	0	0	0	118.6
91	G	33.7	Very low	34.6	Very low	77 Å²	77	115 Å²	115	79%	0.794	78%	0.782	S	S	*	*			trans	150.1	74.3	172.9	0	0	0	0	0	116.5
92	S	34.6	Very low	34.7	Very low	116 Å²	116	119.2 Å²	119.2	81%	0.811	79%	0.789	S	S	*	*			trans	-49.7	142.1	-176.6	-47.6	0	0	0	0	118.3
93	S	29.7	Very low	34.6	Very low	109 Å²	109	118.1 Å²	118.1	76%	0.762	79%	0.787	S	S	*	*			trans	7.8	134.7	146.7	61.1	0	0	0	0	121.6
94	I	33.9	Very low	34.5	Very low	174 Å²	174	114.4 Å²	114.4	89%	0.892	78%	0.781	S	S	*	*			trans	-156	153.7	140.8	-106.3	153.3	0	0	0	109.9
95	S	29.4	Very low	34.6	Very low	112 Å²	112	116.2 Å²	116.2	78%	0.783	79%	0.787	S	S	*	*			trans	-101.1	143	177.5	178.4	0	0	0	0	111.8
96	A	37.5	Very low	34.6	Very low	96 Å²	96	114.5 Å²	114.5	79%	0.793	79%	0.785	S	S	*	*			trans	-149.2	132	170	0	0	0	0	0	111.7
97	N	30.9	Very low	34.6	Very low	172 Å²	172	116 Å²	116	92%	0.92	78%	0.783	S	S	*	*			trans	-89.6	152.3	171.4	-79.7	-32.3	0	0	0	111.2
98	G	35.7	Very low	34.7	Very low	71 Å²	71	118.3 Å²	118.3	73%	0.732	79%	0.785	S	S	*	*			trans	-176	120.4	165.3	0	0	0	0	0	114.9
99	S	36.9	Very low	34.8	Very low	124 Å²	124	119.9 Å²	119.9	87%	0.867	78%	0.784	S	S	*	*			trans	31.3	141.4	143.7	-52.5	0	0	0	0	121.3
100	S	36.7	Very low	34.7	Very low	116 Å²	116	120.4 Å²	120.4	81%	0.811	79%	0.786	S	S	*	*			cis	-172.2	-163.2	-3.2	51.9	0	0	0	0	107.4
101	A	36.3	Very low	34.5	Very low	75 Å²	75	121.2 Å²	121.2	62%	0.62	78%	0.78	S	S	*	*			cis	-165.1	167.5	4.5	0	0	0	0	0	112.1
102	F	34.3	Very low	34.5	Very low	184 Å²	184	122 Å²	122	81%	0.807	78%	0.779	S	S	*	*			trans	51	107.4	145.5	-84.4	-108.4	0	0	0	121.9
103	T	34.5	Very low	34.5	Very low	116 Å²	116	120 Å²	120	71%	0.712	78%	0.776	S	S	*	*				83.9	150.6	92.7	55.6	0	0	0	0	117
104	S	33.8	Very low	34.7	Very low	100 Å²	100	121.7 Å²	121.7	70%	0.699	78%	0.777	S	S	*	*			cis	-172.4	-159.1	-18	62.1	0	0	0	0	110
105	V	35.7	Very low	34.7	Very low	142 Å²	142	120.2 Å²	120.2	86%	0.861	77%	0.771	S	S	*	*			trans	73.5	132.6	-175.5	-168	0	0	0	0	112.9
106	G	37.6	Very low	35	Very low	62 Å²	62	119.8 Å²	119.8	64%	0.639	77%	0.768	S	S	*	*			cis	156.9	159.6	0.5	0	0	0	0	0	108.3
107	N	37.7	Very low	34.8	Very low	150 Å²	150	120 Å²	120	80%	0.802	76%	0.763	S	S	*	*			cis	-156.8	-174.1	-2.5	-80.4	-12.2	0	0	0	106.2
108	N	37.7	Very low	35	Very low	133 Å²	133	117.4 Å²	117.4	71%	0.711	75%	0.754	S	S	*	*			cis	-157.3	141.1	7.7	-142.5	13	0	0	0	112.4
109	L	35.3	Very low	35	Very low	157 Å²	157	120.6 Å²	120.6	82%	0.822	76%	0.755	S	S	*	*			trans	32	153.3	146.2	-91.9	63.7	0	0	0	126.8
110	C	30	Very low	35	Very low	111 Å²	111	120.6 Å²	120.6	75%	0.75	75%	0.75	S	S	*	*			trans	-81.4	-175.6	171.6	55.7	0	0	0	0	113.2
111	N	32.9	Very low	35	Very low	149 Å²	149	120 Å²	120	80%	0.797	75%	0.752	S	S	*	*			cis	-159.4	175.6	21.8	-160	12.9	0	0	0	113.8
112	A	33.1	Very low	34.7	Very low	92 Å²	92	120 Å²	120	76%	0.76	76%	0.759	S	S	*	*			trans	-19.5	154.5	172.4	0	0	0	0	0	122.4
113	G	34	Very low	35	Very low	74 Å²	74	120.7 Å²	120.7	76%	0.763	77%	0.765	S	S	*	*			trans	166.9	100.3	160.5	0	0	0	0	0	118
114	D	35.7	Very low	34.8	Very low	145 Å²	145	123.3 Å²	123.3	78%	0.775	77%	0.771	S	S	*	*			trans	22.4	123	149.4	-70.2	-55.4	0	0	0	125.8
115	N	33	Very low	34.5	Very low	143 Å²	143	123.3 Å²	123.3	77%	0.765	77%	0.77	S	S	*	*				54.3	145.2	121.5	-74.5	-55.8	0	0	0	125.6
116	S	35.5	Very low	34.4	Very low	103 Å²	103	124.8 Å²	124.8	72%	0.72	77%	0.767	S	S	*	*			trans	93.6	93.1	144.7	73	0	0	0	0	122.5
117	S	33.6	Very low	34.1	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	77%	0.772	S	S	*	*				69.1	134.6	120.8	61.9	0	0	0	0	124.9
118	T	34.9	Very low	33.9	Very low	119 Å²	119	126.5 Å²	126.5	73%	0.73	77%	0.766	S	S	*	*			trans	87.5	144.9	138	43.1	0	0	0	0	123.2
119	N	36.6	Very low	33.6	Very low	138 Å²	138	127.4 Å²	127.4	74%	0.738	77%	0.771	S	S	*	*			trans	79.6	134.6	154.9	-65.8	-10.7	0	0	0	119.1
120	T	35.4	Very low	33.3	Very low	124 Å²	124	125.3 Å²	125.3	76%	0.761	76%	0.764	S	S	*	*			cis	-164.6	171.5	-18.4	2.7	0	0	0	0	110.6
121	A	38	Very low	33.5	Very low	104 Å²	104	127.7 Å²	127.7	86%	0.86	77%	0.77	S	S	*	*			trans	72.1	138.7	166.6	0	0	0	0	0	117.4
122	G	30.2	Very low	33.3	Very low	75 Å²	75	126.5 Å²	126.5	77%	0.773	76%	0.763	S	S	*	*			cis	125	106.1	-17.1	0	0	0	0	0	115.3
123	E	39.4	Very low	33.3	Very low	198 Å²	198	129.2 Å²	129.2	93%	0.925	77%	0.77	S	S	*	*			trans	-135.3	153.3	161.9	-95.9	-175.8	143.5	0	0	109.4
124	M	31.3	Very low	33	Very low	170 Å²	170	131.1 Å²	131.1	84%	0.837	77%	0.767	S	S	*	*			trans	-131.7	144.5	-163	-82.2	176.3	54.1	0	0	114.7
125	C	27.4	Very low	32.9	Very low	101 Å²	101	130.9 Å²	130.9	68%	0.682	76%	0.761	S	S	*	*			trans	27.3	124.1	141.3	-55.2	0	0	0	0	120.4
126	H	33.8	Very low	32.7	Very low	172 Å²	172	134.1 Å²	134.1	80%	0.796	76%	0.763	S	S	*	*			trans	-148.5	110.1	142.7	-104.8	-71.6	0	0	0	112.9
127	P	30.6	Very low	32.3	Very low	114 Å²	114	138.7 Å²	138.7	74%	0.74	77%	0.766	S	S	*	*			trans	-107.5	121.6	162.2	34.2	-24.7	0	0	0	111.1
128	I	33.4	Very low	32.2	Very low	134 Å²	134	141 Å²	141	69%	0.687	77%	0.765	S	S	*	*			trans	-149	137.3	-179.3	-64.3	-178.5	0	0	0	106.7
129	L	32	Very low	31.9	Very low	153 Å²	153	143.2 Å²	143.2	80%	0.801	77%	0.768	S	S	*	*			cis	-163.3	159.3	-29.1	-122.7	163.2	0	0	0	105.4
130	T	28	Very low	31.4	Very low	112 Å²	112	141.1 Å²	141.1	69%	0.687	77%	0.769	S	S	*	*			trans	-72.6	150.1	173.2	49.7	0	0	0	0	111.7
131	D	34.2	Very low	31.2	Very low	162 Å²	162	142.2 Å²	142.2	87%	0.866	78%	0.776	S	S	*	*			trans	-142	150.5	147	-133.6	-28.1	0	0	0	112.7
132	N	28.8	Very low	30.7	Very low	124 Å²	124	144.1 Å²	144.1	66%	0.663	78%	0.777	S	S	*	*			trans	-119.2	131.3	-170.5	-66.4	-92.4	0	0	0	111.5
133	V	34.1	Very low	30.7	Very low	148 Å²	148	146.2 Å²	146.2	90%	0.897	78%	0.78	S	S	*	*			trans	-134.2	98.7	155.7	-173.9	0	0	0	0	111
134	T	27.9	Very low	30	Very low	115 Å²	115	142.6 Å²	142.6	71%	0.706	78%	0.776	S	S	*	*			trans	-81.1	136.1	168	-57.9	0	0	0	0	110.3
135	Q	32.7	Very low	29.8	Very low	139 Å²	139	140.9 Å²	140.9	65%	0.65	78%	0.78	S	S	*	*			trans	-177.1	131.7	136.7	-105.8	173.6	89.7	0	0	115
136	R	29.8	Very low	29.6	Very low	211 Å²	211	141.1 Å²	141.1	80%	0.796	78%	0.783	S	S	*	*			trans	56.1	146.7	134.8	-68.8	170.8	-171.4	175.4	0.6	120.7
137	Y	26.4	Very low	29.3	Very low	200 Å²	200	141.2 Å²	141.2	78%	0.784	79%	0.788	S	S	*	*			cis	-169	169.8	-23.6	-146.7	-122.7	0	0	0	107.9
138	Q	30.9	Very low	29	Very low	147 Å²	147	145.7 Å²	145.7	69%	0.687	79%	0.791	S	S	*	*			trans	64.5	113.2	161.4	-87	156.5	-30.6	0	0	122
139	Q	28.6	Very low	28.9	Very low	167 Å²	167	149.2 Å²	149.2	78%	0.78	80%	0.802	S	S	*	*				66.1	93.5	125.3	-68.4	175.5	-41.1	0	0	121.2
140	A	26.1	Very low	28.6	Very low	93 Å²	93	147.5 Å²	147.5	77%	0.769	80%	0.803	S	S	*	*				38.2	123.5	118.2	0	0	0	0	0	120.9
141	T	31.9	Very low	28.7	Very low	147 Å²	147	147.1 Å²	147.1	90%	0.902	81%	0.811	S	S	*	*				-157.2	163.5	120.7	12.5	0	0	0	0	110.1
142	T	26.9	Very low	28.6	Very low	144 Å²	144	143.2 Å²	143.2	88%	0.883	81%	0.809	S	S	*	*			trans	-93.1	118.5	-171.9	49.7	0	0	0	0	113.1
143	S	31.3	Very low	28.5	Very low	120 Å²	120	146.5 Å²	146.5	84%	0.839	82%	0.82	S	S	*	*			trans	-159.4	153	157.6	56	0	0	0	0	112.3
144	S	25.1	Very low	28.5	Very low	121 Å²	121	147.8 Å²	147.8	85%	0.846	82%	0.822	S	S	*	*			trans	-82.6	136.5	-177.2	-41.9	0	0	0	0	112.1
145	C	25.2	Very low	28.4	Very low	135 Å²	135	147.6 Å²	147.6	91%	0.912	83%	0.826	S	S	*	*			trans	-170	155.2	140.3	-116	0	0	0	0	112.8
146	S	24.6	Very low	28.3	Very low	106 Å²	106	149.2 Å²	149.2	74%	0.741	84%	0.836	S	S	*	*			trans	-78.8	151	175	-51.6	0	0	0	0	112
147	L	27.6	Very low	28.2	Very low	173 Å²	173	144.6 Å²	144.6	91%	0.906	84%	0.836	S	S	*	*			trans	-131.6	139.6	157.9	-78.8	177.8	0	0	0	111.3
148	Y	24	Very low	28.4	Very low	208 Å²	208	143.7 Å²	143.7	82%	0.816	84%	0.836	S	S	*	*			trans	-82.3	158.2	172.4	-78.2	-109.8	0	0	0	110.6
149	F	30.2	Very low	28.4	Very low	209 Å²	209	142.2 Å²	142.2	92%	0.917	84%	0.839	S	S	*	*			trans	-131.3	151.9	142.8	-97.9	-83.3	0	0	0	110.1
150	S	25.5	Very low	28.3	Very low	117 Å²	117	139.7 Å²	139.7	82%	0.818	85%	0.847	S	S	*	*			trans	-151.1	137.1	-171.4	176.4	0	0	0	0	110.1
151	A	31.5	Very low	28.5	Very low	103 Å²	103	138.4 Å²	138.4	85%	0.851	84%	0.842	S	S	*	*			trans	-165.8	150.7	165.4	0	0	0	0	0	111.6
152	G	31.1	Very low	28.3	Very low	80 Å²	80	139.3 Å²	139.3	83%	0.825	84%	0.842	S	S	*	*			trans	91.8	79.2	153	0	0	0	0	0	118
153	Q	27.2	Very low	28.4	Very low	193 Å²	193	138.7 Å²	138.7	90%	0.902	84%	0.842	S	S	*	*			trans	-85.7	140.8	151	-71.8	-175.2	-5.9	0	0	109.9
154	N	33.4	Very low	28.1	Very low	175 Å²	175	138 Å²	138	94%	0.936	84%	0.837	S	S	*	*			trans	-163.5	138.8	138	-104.3	-28.6	0	0	0	110.1
155	S	27.4	Very low	28.2	Very low	112 Å²	112	139.8 Å²	139.8	78%	0.783	84%	0.836	S	S	*	*			trans	-108.5	130.4	-172.5	55.6	0	0	0	0	112.1
156	M	29.9	Very low	28.3	Very low	173 Å²	173	144 Å²	144	85%	0.852	83%	0.834	S	S	*	*			trans	-137.7	129.3	153.2	-71.8	-164.9	179.6	0	0	109.7	F158	M156-F158 HydrophobicContact CB-CE2 4.27Å
157	S	26.5	Very low	28.3	Very low	114 Å²	114	143.1 Å²	143.1	80%	0.797	83%	0.834	S	S	*	*			trans	-101.3	131.9	178.4	52.8	0	0	0	0	110.4
158	F	31.3	Very low	28.4	Very low	180 Å²	180	140.7 Å²	140.7	79%	0.789	83%	0.831	S	S	*	*			trans	-129	149.7	168.9	-77.7	-78.3	0	0	0	110.3	M156	M156-F158 HydrophobicContact CB-CE2 4.27Å
159	P	30.7	Very low	28.7	Very low	116 Å²	116	138.6 Å²	138.6	75%	0.753	83%	0.834	S	S	*	*			trans	-79.6	156.2	-166.1	32.3	-36.3	0	0	0	112.9	G161	P159-G161 PolarHBondContact O-N 3.09Å
160	A	27.9	Very low	28.7	Very low	114 Å²	114	136.4 Å²	136.4	94%	0.942	83%	0.831	S	S	*	*			trans	-70	127.1	165.5	0	0	0	0	0	109.9
161	G	29.5	Very low	29	Very low	66 Å²	66	141.7 Å²	141.7	68%	0.68	83%	0.833	S	S	*	*			trans	-149	152.7	175.7	0	0	0	0	0	109.6	P159	P159-G161 PolarHBondContact O-N 3.09Å
162	D	27.3	Very low	29.1	Very low	166 Å²	166	148.4 Å²	148.4	89%	0.888	84%	0.837	S	S	*	*			trans	-61.6	135.9	-160.7	-55.2	-72.4	0	0	0	115.5
163	C	28.8	Very low	29.2	Very low	132 Å²	132	150 Å²	150	89%	0.892	83%	0.833	S	S	*	*			trans	-145.9	101.1	155.3	-93.3	0	0	0	0	110
164	S	25.9	Very low	29.5	Very low	104 Å²	104	148.6 Å²	148.6	73%	0.727	83%	0.83	S	S	*	*			trans	-77.5	175.2	156.5	62.2	0	0	0	0	110
165	L	25.9	Very low	29.6	Very low	159 Å²	159	148.5 Å²	148.5	83%	0.832	83%	0.825	S	S	*	*			trans	72.7	103	-173.3	-45.3	168.4	0	0	0	112.3
166	Y	27.6	Very low	30.1	Very low	223 Å²	223	148.3 Å²	148.3	88%	0.875	82%	0.82	S	S	*	*				-154.3	161.8	72.7	-133.9	-102.5	0	0	0	113.7
167	A	25.8	Very low	30	Very low	88 Å²	88	147 Å²	147	73%	0.727	83%	0.826	S	S	*	*			trans	-81.7	125.9	170	0	0	0	0	0	110.7
168	S	30.1	Very low	30.3	Very low	122 Å²	122	144.6 Å²	144.6	85%	0.853	82%	0.82	S	S	*	*			trans	-113.5	112.5	169.6	-77.4	0	0	0	0	109.9
169	L	30.3	Very low	30.4	Very low	165 Å²	165	141.6 Å²	141.6	86%	0.864	82%	0.822	S	S	*	*			trans	-64.9	156.6	-176.1	-76.3	141.3	0	0	0	113.3	R171	L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 PolarHBondContact O-N 3.4Å
170	N	29.9	Very low	30.5	Very low	163 Å²	163	145.5 Å²	145.5	87%	0.872	83%	0.83	S	S	*	*	S	Bend	trans	-57.8	87.8	162.3	-76.8	-36.8	0	0	0	111.4
171	R	30.7	Very low	30.9	Very low	228 Å²	228	151.2 Å²	151.2	86%	0.86	83%	0.827	S	S	*	*			trans	-160	84.2	166.1	-120	174.8	-169	-94.9	0.3	112.7	L169	L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 PolarHBondContact O-N 3.4Å
172	W	33.7	Very low	31.1	Very low	243 Å²	243	154.6 Å²	154.6	92%	0.92	84%	0.837	S	S	*	*			trans	-68.9	131.1	155.1	-72.1	102.9	0	0	0	109.1	L174	W172-L174 PolarHBondContact O-N 2.74Å
173	P	33.4	Very low	31.5	Very low	115 Å²	115	150.1 Å²	150.1	75%	0.747	83%	0.83	S	S	*	*			trans	-64	123.6	168.5	-19.4	32.5	0	0	0	109.9	E175	P173-E175 PolarHBondContact O-N 3.37Å; P173-E175 VanDerWaalsContact O-N 3.14Å
174	L	34.5	Very low	31.9	Very low	162 Å²	162	150.6 Å²	150.6	85%	0.848	83%	0.828	S	S	*	*			trans	-78.5	93.2	169.4	-74.4	172	0	0	0	109	W172 P176	W172-L174 PolarHBondContact O-N 2.74Å; L174-P176 WeakPolarHBondContact O-CD 3.25Å
175	E	35.6	Very low	32	Very low	174 Å²	174	156 Å²	156	81%	0.813	83%	0.834	S	S	*	*			trans	-54.8	118.7	163.4	-96.6	-73.3	113.1	0	0	109.5	P173 C177	P173-E175 PolarHBondContact O-N 3.37Å; P173-E175 VanDerWaalsContact O-N 3.14Å; E175-C177 PolarHBondContact O-N 2.98Å; E175-C177 VanDerWaalsContact O-N 3.15Å
176	P	37.3	Very low	32.5	Very low	107 Å²	107	154.4 Å²	154.4	70%	0.695	83%	0.834	S	S	*	*			trans	-78.4	102.8	-178.8	30.8	-32.3	0	0	0	109.8	L174 G178	L174-P176 WeakPolarHBondContact O-CD 3.25Å; P176-G178 VanDerWaalsContact C-N 3.32Å; P176-G178 PolarHBondContact O-N 3.01Å
177	C	27.8	Very low	32.7	Very low	145 Å²	145	153.4 Å²	153.4	98%	0.98	83%	0.834	S	S	*	*			trans	-67.7	88.3	174.9	-164.1	0	0	0	0	110.5	E175	E175-C177 PolarHBondContact O-N 2.98Å; E175-C177 VanDerWaalsContact O-N 3.15Å
178	G	31.6	Very low	33	Very low	65 Å²	65	154.8 Å²	154.8	67%	0.67	84%	0.838	S	S	*	*			trans	175.8	91	-179	0	0	0	0	0	115.1	P176	P176-G178 VanDerWaalsContact C-N 3.32Å; P176-G178 PolarHBondContact O-N 3.01Å
179	S	33.8	Very low	33.2	Very low	117 Å²	117	153.6 Å²	153.6	82%	0.818	84%	0.836	S	S	*	*			trans	-163.9	105.3	144.4	43.1	0	0	0	0	111.1
180	E	33.8	Very low	33.4	Very low	197 Å²	197	154.1 Å²	154.1	92%	0.921	84%	0.839	S	S	*	*			trans	-70.1	140.5	166.4	-62.4	-176.5	128.7	0	0	109.7
181	R	35.7	Very low	33.6	Very low	235 Å²	235	151.6 Å²	151.6	89%	0.887	83%	0.831	S	S	*	*			trans	-115.1	125.7	162.5	-70.8	-167	-177.4	-157.5	3.5	109.1
182	P	32.8	Very low	33.6	Very low	136 Å²	136	147.6 Å²	147.6	88%	0.883	83%	0.827	S	S	*	*			trans	-73.5	135.8	-180	29.5	-34.1	0	0	0	111.6
183	G	36.3	Very low	33.6	Very low	72 Å²	72	144 Å²	144	74%	0.742	82%	0.824	S	S	*	*			trans	-147.9	67.2	-171.6	0	0	0	0	0	114.9
184	V	37.6	Very low	33.4	Very low	142 Å²	142	149.7 Å²	149.7	86%	0.861	83%	0.831	S	S	*	*			trans	34.9	109.7	154.3	-169.3	0	0	0	0	118.8
185	Y	27.1	Very low	33.3	Very low	217 Å²	217	149.6 Å²	149.6	85%	0.851	83%	0.83	S	S	*	*			trans	-69.3	163.9	169.3	-67.5	-84.5	0	0	0	114.4
186	P	36.6	Very low	33.1	Very low	127 Å²	127	149.6 Å²	149.6	83%	0.825	83%	0.827	S	S	*	*				-127.5	176.3	107.9	37.1	-31.6	0	0	0	114.7
187	K	31.6	Very low	32.6	Very low	202 Å²	202	153.3 Å²	153.3	88%	0.878	84%	0.835	S	S	*	*			trans	-103.9	137	-162.2	-60.1	171	177.4	174.8	0	115.4
188	S	33.6	Very low	32.6	Very low	116 Å²	116	156.5 Å²	156.5	81%	0.811	83%	0.828	S	S	*	*			trans	-164.3	112.6	141.4	42.8	0	0	0	0	108.5
189	A	34.5	Very low	32.5	Very low	98 Å²	98	158.1 Å²	158.1	81%	0.81	83%	0.829	S	S	*	*				84.3	91.7	65.6	0	0	0	0	0	114
190	L	33.4	Very low	32.4	Very low	176 Å²	176	158.3 Å²	158.3	92%	0.921	83%	0.826	S	S	*	*			trans	-171.5	162.1	147.4	-95.5	168.7	0	0	0	107.8
191	P	35	Very low	32.1	Very low	110 Å²	110	155.8 Å²	155.8	71%	0.714	82%	0.817	S	S	*	*			trans	-105.5	173.2	-141.9	40	-40.2	0	0	0	118.7
192	D	31	Very low	31.9	Very low	143 Å²	143	153.9 Å²	153.9	77%	0.765	82%	0.816	S	S	*	*			trans	-34.9	135.3	178.1	-68.7	-76.8	0	0	0	119
193	L	32.1	Very low	31.7	Very low	167 Å²	167	152 Å²	152	87%	0.874	81%	0.805	S	S	*	*			trans	-121.6	118.2	134.5	-89.4	89.6	0	0	0	109.8	I195	L193-I195 PolarHBondContact O-N 2.75Å
194	R	28.9	Very low	31.5	Very low	236 Å²	236	157.4 Å²	157.4	89%	0.891	81%	0.811	S	S	*	*			trans	-72.3	123.3	170.5	-68.6	-174.3	-177.6	-171.8	1.9	110.5
195	I	33.5	Very low	31.2	Very low	159 Å²	159	157.3 Å²	157.3	82%	0.815	81%	0.811	S	S	*	*			trans	-114.1	138.2	157.2	-62.7	-178.3	0	0	0	107.9	L193	L193-I195 PolarHBondContact O-N 2.75Å
196	K	30.8	Very low	31.5	Very low	175 Å²	175	152.1 Å²	152.1	76%	0.761	81%	0.806	S	S	*	*			trans	-73	132.9	-170.1	-62.5	177.4	-179.4	178.4	0	111.1
197	Q	28.1	Very low	31.2	Very low	184 Å²	184	152.6 Å²	152.6	86%	0.86	81%	0.807	S	S	*	*			trans	-64.7	137.3	159	-69.8	175.2	-66.5	0	0	109.4
198	Y	28	Very low	31.1	Very low	212 Å²	212	146.7 Å²	146.7	83%	0.831	80%	0.803	S	S	*	*			trans	-108.4	104	154.4	-83.2	-80.1	0	0	0	107.9	T200	Y198-T200 PolarHBondContact O-N 2.67Å
199	S	29.4	Very low	31	Very low	100 Å²	100	152.6 Å²	152.6	70%	0.699	81%	0.807	S	S	*	*			trans	-87.5	95.9	173.4	52.8	0	0	0	0	109.6	I201	S199-I201 PolarHBondContact O-N 3.34Å; S199-I201 VanDerWaalsContact O-N 3.1Å
200	T	30.4	Very low	30.9	Very low	120 Å²	120	151.2 Å²	151.2	74%	0.736	80%	0.803	S	S	*	*			trans	-79.6	91	172.4	-51.2	0	0	0	0	109.4	Y198 F202	Y198-T200 PolarHBondContact O-N 2.67Å; T200-F202 HydrophobicContact CG2-CD2 3.92Å; T200-F202 HydrophobicContact CG2-CE2 4.33Å
201	I	28.1	Very low	30.9	Very low	145 Å²	145	149.3 Å²	149.3	74%	0.744	80%	0.799	S	S	*	*			trans	-76.9	121.4	164	-58.8	174.8	0	0	0	107.1	S199	S199-I201 PolarHBondContact O-N 3.34Å; S199-I201 VanDerWaalsContact O-N 3.1Å
202	F	30.8	Very low	30.8	Very low	195 Å²	195	150 Å²	150	86%	0.855	80%	0.801	S	S	*	*			trans	-118.3	129.9	154.1	-100	-77.5	0	0	0	109.2	T200	T200-F202 HydrophobicContact CG2-CD2 3.92Å; T200-F202 HydrophobicContact CG2-CE2 4.33Å
203	S	30.2	Very low	30.8	Very low	95 Å²	95	148.5 Å²	148.5	66%	0.664	80%	0.801	S	S	*	*			trans	-80.2	143.6	-168.3	48	0	0	0	0	112.7	V205	S203-V205 PolarHBondContact O-N 3.48Å
204	E	31.8	Very low	30.7	Very low	186 Å²	186	148.1 Å²	148.1	87%	0.869	80%	0.799	S	S	*	*			trans	-57.5	132.5	164	-59.9	-178.8	130.2	0	0	110.4	S206	E204-S206 PolarHBondContact O-N 3.38Å
205	V	30.1	Very low	30.9	Very low	140 Å²	140	141.4 Å²	141.4	85%	0.848	79%	0.794	S	S	*	*			trans	-85.7	103.3	171.6	177.8	0	0	0	0	108.3	S203	S203-V205 PolarHBondContact O-N 3.48Å
206	S	33.5	Very low	31	Very low	108 Å²	108	137.7 Å²	137.7	76%	0.755	80%	0.795	S	S	*	*			trans	-65.5	142.5	176.9	-49.4	0	0	0	0	112	E204 G208	E204-S206 PolarHBondContact O-N 3.38Å; S206-G208 PolarHBondContact O-N 3.06Å
207	V	29.9	Very low	31.3	Very low	138 Å²	138	136.7 Å²	136.7	84%	0.836	80%	0.798	S	S	*	*			trans	-71.2	109.8	-176.8	179.1	0	0	0	0	111.5	R209	V207-R209 PolarHBondContact O-N 3.32Å
208	G	31	Very low	31.7	Very low	78 Å²	78	133.4 Å²	133.4	80%	0.804	80%	0.795	S	S	*	*			trans	-73	100.5	171.4	0	0	0	0	0	111.9	S206 G210	S206-G208 PolarHBondContact O-N 3.06Å; G208-G210 PolarHBondContact O-N 3.02Å
209	R	31.8	Very low	32.1	Very low	239 Å²	239	127.9 Å²	127.9	90%	0.902	79%	0.788	S	S	*	*			trans	-87.2	103.6	-177.7	-163.6	179.5	-166.4	177.5	4.8	111.5	V207	V207-R209 PolarHBondContact O-N 3.32Å
210	G	32.3	Very low	32.4	Very low	70 Å²	70	131.2 Å²	131.2	72%	0.722	80%	0.797	S	S	*	*			trans	-69.5	139.8	171.7	0	0	0	0	0	112.8	G208	G208-G210 PolarHBondContact O-N 3.02Å
211	T	31.7	Very low	32.7	Very low	136 Å²	136	131 Å²	131	83%	0.834	80%	0.801	S	S	*	*			trans	-65.7	155.9	162.4	31.7	0	0	0	0	109.9
212	V	33.8	Very low	33.5	Very low	123 Å²	123	129.6 Å²	129.6	75%	0.745	80%	0.801	S	S	*	*				-164.5	156.4	74.6	156.6	0	0	0	0	111.3
213	C	30.1	Very low	33.6	Very low	113 Å²	113	130.9 Å²	130.9	76%	0.764	80%	0.801	S	S	*	*			trans	61.9	100.2	161.8	75.4	0	0	0	0	122.2
214	N	30.3	Very low	33.8	Very low	159 Å²	159	131.6 Å²	131.6	85%	0.85	81%	0.805	S	S	*	*				112.4	141.2	109.9	-150	16.4	0	0	0	120.2
215	A	34.1	Very low	34	Very low	95 Å²	95	127.8 Å²	127.8	79%	0.785	81%	0.806	S	S	*	*			trans	54.3	121.9	164.4	0	0	0	0	0	120.7
216	G	35.7	Very low	34.2	Very low	80 Å²	80	125 Å²	125	83%	0.825	81%	0.806	S	S	*	*			trans	155.3	90.1	164.6	0	0	0	0	0	116.5
217	N	35.5	Very low	34.4	Very low	154 Å²	154	123.9 Å²	123.9	82%	0.824	81%	0.811	S	S	*	*			trans	-39.6	153.5	-179.8	-67.2	-17.1	0	0	0	119.8
218	S	37.7	Very low	34.4	Very low	115 Å²	115	121.7 Å²	121.7	80%	0.804	81%	0.807	S	S	*	*			trans	73.4	148.4	150.8	-60.6	0	0	0	0	119.2
219	S	35.7	Very low	34.5	Very low	97 Å²	97	129.7 Å²	129.7	68%	0.678	82%	0.815	S	S	*	*			cis	-171.3	162.9	-19.6	53.4	0	0	0	0	111.4
220	L	36.3	Very low	34.5	Very low	170 Å²	170	125.2 Å²	125.2	89%	0.89	81%	0.809	S	S	*	*			trans	84.6	130.4	158.8	-68	158.8	0	0	0	121.4
221	S	35.6	Very low	35	Very low	116 Å²	116	125.4 Å²	125.4	81%	0.811	81%	0.81	S	S	*	*			trans	-69.6	174.2	-168.4	-69.3	0	0	0	0	119.8
222	P	45.6	Very low	35.3	Very low	115 Å²	115	126.9 Å²	126.9	75%	0.747	81%	0.808	S	S	*	*			trans	-105.3	-173.8	-176.8	43	-37	0	0	0	114.6
223	Y	33.6	Very low	35.6	Very low	221 Å²	221	129 Å²	129	87%	0.867	82%	0.815	S	S	*	*			trans	-137.9	109.6	167.9	-111.6	-89.6	0	0	0	115.1
224	C	32.9	Very low	35.9	Very low	110 Å²	110	128 Å²	128	74%	0.743	81%	0.81	S	S	*	*			trans	27.3	147.8	138.1	-53.4	0	0	0	0	125.6
225	A	37.4	Very low	36.4	Very low	107 Å²	107	127.9 Å²	127.9	88%	0.884	81%	0.808	S	S	*	*			trans	76	146.8	153.9	0	0	0	0	0	119.2
226	G	34	Very low	36.7	Very low	82 Å²	82	128.7 Å²	128.7	85%	0.845	81%	0.805	S	S	*	*			cis	153.7	127.7	-10.7	0	0	0	0	0	114.1
227	G	37.4	Very low	36.5	Very low	84 Å²	84	131.6 Å²	131.6	87%	0.866	80%	0.802	S	S	*	*			trans	162.5	132.7	173.5	0	0	0	0	0	113
228	A	29.7	Very low	36.5	Very low	92 Å²	92	134.1 Å²	134.1	76%	0.76	80%	0.801	S	S	*	*			trans	-145	144.8	-179.2	0	0	0	0	0	111.3
229	Y	32.9	Very low	36.2	Very low	246 Å²	246	135.4 Å²	135.4	97%	0.965	80%	0.799	S	S	*	*			trans	-137.9	146.5	165.4	-83	-79.7	0	0	0	109.6
230	N	33.1	Very low	36.2	Very low	145 Å²	145	140.4 Å²	140.4	78%	0.775	81%	0.809	S	S	*	*			trans	-124.4	147.3	-170.8	-173.7	8.5	0	0	0	109.8
231	G	42.6	Very low	36.2	Very low	73 Å²	73	137.9 Å²	137.9	75%	0.753	80%	0.801	S	S	*	*			trans	-154.9	105.6	-179.7	0	0	0	0	0	110.9
232	Q	36.4	Very low	36.2	Very low	167 Å²	167	137.4 Å²	137.4	78%	0.78	80%	0.797	S	S	*	*			trans	-88.3	143.7	-176.4	-60	166.2	-69.9	0	0	111.6
233	N	41	Very low	35.7	Very low	167 Å²	167	137.8 Å²	137.8	89%	0.893	80%	0.803	S	S	*	*			trans	-164.1	168.1	138.7	-100.4	-37.2	0	0	0	110.4
234	S	37	Very low	35.8	Very low	94 Å²	94	134.5 Å²	134.5	66%	0.657	81%	0.806	S	S	*	*			trans	-147.2	174	-147	61.4	0	0	0	0	116
235	L	39.9	Very low	36.1	Very low	156 Å²	156	133 Å²	133	82%	0.817	81%	0.809	S	S	*	*			trans	79.2	153.5	167.9	-56	165.4	0	0	0	117.3
236	P	40.1	Very low	35.8	Very low	111 Å²	111	132.8 Å²	132.8	72%	0.721	81%	0.807	S	S	*	*			cis	-132.9	166.7	-41.9	37.2	-23.1	0	0	0	113.1
237	N	32.1	Very low	36	Very low	141 Å²	141	133.5 Å²	133.5	75%	0.754	81%	0.806	S	S	*	*			trans	-100	150.3	177.9	-164.4	13.6	0	0	0	111.8
238	Y	35.7	Very low	35.8	Very low	207 Å²	207	139.6 Å²	139.6	81%	0.812	80%	0.804	S	S	*	*			trans	-121.6	118.8	174.4	-108	-81.2	0	0	0	110.3
239	N	30.6	Very low	36.1	Very low	142 Å²	142	140.3 Å²	140.3	76%	0.759	80%	0.803	S	S	*	*			trans	-119.3	150.1	169.1	-93.9	-18.6	0	0	0	108.8
240	F	36.7	Very low	36.3	Very low	202 Å²	202	133.2 Å²	133.2	89%	0.886	79%	0.79	S	S	*	*			trans	-128.1	128.5	167.6	-138.8	-97.1	0	0	0	110.5
241	T	35.2	Very low	36.5	Very low	117 Å²	117	133.9 Å²	133.9	72%	0.718	79%	0.788	S	S	*	*			trans	-83.1	174.6	174.1	54	0	0	0	0	109.3
242	S	36.2	Very low	36.2	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	79%	0.789	S	S	*	*			cis	-173.6	151.6	7.9	21.3	0	0	0	0	108
243	S	36.1	Very low	36.2	Very low	123 Å²	123	135 Å²	135	86%	0.86	79%	0.785	S	S	*	*			trans	-169.7	153.1	134.9	51.6	0	0	0	0	111
244	T	35.1	Very low	35.8	Very low	152 Å²	152	136.3 Å²	136.3	93%	0.933	79%	0.785	S	S	*	*			trans	-125.7	154.1	-172.7	45.1	0	0	0	0	111.9
245	G	38.1	Very low	35.7	Very low	79 Å²	79	137.8 Å²	137.8	81%	0.814	80%	0.796	S	S	*	*			trans	-166.2	128.7	169.1	0	0	0	0	0	110.2
246	A	32.6	Very low	35.2	Very low	102 Å²	102	136 Å²	136	84%	0.843	79%	0.791	S	S	*	*			trans	-154.5	138.1	-173.5	0	0	0	0	0	112.8
247	A	38.1	Very low	34.7	Very low	98 Å²	98	141.6 Å²	141.6	81%	0.81	80%	0.8	S	S	*	*			trans	-169	164.8	166.1	0	0	0	0	0	110.1
248	Y	32.4	Very low	34.9	Very low	211 Å²	211	140.8 Å²	140.8	83%	0.827	80%	0.802	S	S	*	*				-174.3	139.7	-52	-132.2	-77.9	0	0	0	106.6
249	S	35.7	Very low	34.8	Very low	107 Å²	107	135.6 Å²	135.6	75%	0.748	80%	0.802	S	S	*	*			trans	63.1	156.5	167.2	23.8	0	0	0	0	118.6
250	S	36.9	Very low	35	Very low	97 Å²	97	136 Å²	136	68%	0.678	81%	0.809	S	S	*	*			cis	-168.7	143.9	-12.6	45.3	0	0	0	0	114.3
251	Q	37.3	Very low	34.6	Very low	160 Å²	160	134.3 Å²	134.3	75%	0.748	81%	0.809	S	S	*	*			trans	65.6	128.4	140.7	-70	178.7	1.7	0	0	124.4
252	Q	37.7	Very low	34.5	Very low	166 Å²	166	132.8 Å²	132.8	78%	0.776	81%	0.808	S	S	*	*			trans	69.6	148.8	133.6	-68	175.4	15.4	0	0	120
253	S	36.4	Very low	34.4	Very low	98 Å²	98	134 Å²	134	69%	0.685	81%	0.813	S	S	*	*			cis	-161.9	145.9	-3.2	41.6	0	0	0	0	114.6
254	Q	32.4	Very low	34.1	Very low	193 Å²	193	133.2 Å²	133.2	90%	0.902	81%	0.814	S	S	*	*			trans	44.4	120.8	146.8	-61.5	-178.5	2.5	0	0	122.9
255	S	33.6	Very low	33.9	Very low	125 Å²	125	131.9 Å²	131.9	87%	0.874	81%	0.809	S	S	*	*				-159	169.8	115.9	66	0	0	0	0	110.1
256	T	29.5	Very low	33.4	Very low	119 Å²	119	131.9 Å²	131.9	73%	0.73	81%	0.809	S	S	*	*			trans	-140.8	129.3	-161.5	-57.3	0	0	0	0	114.4
257	Y	30.6	Very low	33.5	Very low	229 Å²	229	134 Å²	134	90%	0.898	81%	0.805	S	S	*	*			trans	-144.7	147.3	149.9	-74.1	-68	0	0	0	110.4
258	P	35.3	Very low	33.1	Very low	123 Å²	123	134.7 Å²	134.7	80%	0.799	80%	0.804	S	S	*	*			trans	-93.7	145.8	-168.8	35.5	-34.9	0	0	0	114.5
259	A	34	Very low	32.9	Very low	99 Å²	99	133.1 Å²	133.1	82%	0.818	80%	0.802	S	S	*	*			trans	-136	149	161	0	0	0	0	0	109.2
260	V	35.2	Very low	32.7	Very low	149 Å²	149	135.1 Å²	135.1	90%	0.903	80%	0.803	S	S	*	*			trans	-76.5	131	-167.4	178.4	0	0	0	0	112.1
261	L	29	Very low	32.4	Very low	168 Å²	168	134 Å²	134	88%	0.88	79%	0.794	S	S	*	*			trans	-78.7	125.8	171.1	-84.8	158.2	0	0	0	111.3
262	A	33.1	Very low	32.1	Very low	84 Å²	84	134.3 Å²	134.3	69%	0.694	80%	0.8	S	S	*	*			trans	-119.6	139.7	155.4	0	0	0	0	0	108.1
263	P	32.8	Very low	31.8	Very low	132 Å²	132	132.4 Å²	132.4	86%	0.857	79%	0.791	S	S	*	*			trans	-77.4	142.7	-166.6	30.3	-35.5	0	0	0	113
264	A	29.8	Very low	31.4	Very low	106 Å²	106	130.7 Å²	130.7	88%	0.876	79%	0.788	S	S	*	*			trans	-75.1	133.5	173.5	0	0	0	0	0	111.7
265	C	30.6	Very low	31.5	Very low	124 Å²	124	126.7 Å²	126.7	84%	0.838	77%	0.772	S	S	*	*			trans	-114.9	124.3	156.6	-171.1	0	0	0	0	107.5
266	G	29	Very low	31.6	Very low	79 Å²	79	125.9 Å²	125.9	81%	0.814	75%	0.753	S	S	*	*			trans	-84	120.4	-171.1	0	0	0	0	0	112.9
267	I	34.8	Very low	31.5	Very low	148 Å²	148	125.1 Å²	125.1	76%	0.759	75%	0.748	S	S	*	*			trans	-120.7	131.5	159.6	-59.4	-179.2	0	0	0	107.3	F269	I267-F269 PolarHBondContact O-N 3.15Å
268	S	29.4	Very low	31.7	Very low	112 Å²	112	120.5 Å²	120.5	78%	0.783	73%	0.73	S	S	*	*			trans	-70.3	112.4	-174.5	-169.4	0	0	0	0	111.3	I270	S268-I270 PolarHBondContact O-N 2.52Å
269	F	28.9	Very low	31.3	Very low	178 Å²	178	125.9 Å²	125.9	78%	0.781	73%	0.734	S	S	*	*			trans	-74.3	92	175	-99	-103.1	0	0	0	111.1	I267 C271	I267-F269 PolarHBondContact O-N 3.15Å; F269-C271 HydrophobicContact CD1-CB 4.1Å; F269-C271 HydrophobicContact CE1-CB 4.4Å
270	I	30.9	Very low	31.3	Very low	149 Å²	149	128.9 Å²	128.9	76%	0.764	73%	0.725	S	S	*	*			trans	-116	67.7	145.3	-52.9	-177.7	0	0	0	107	S268 L272	S268-I270 PolarHBondContact O-N 2.52Å; I270-L272 PolarHBondContact O-N 3.4Å
271	C	31.2	Very low	30.8	Very low	72 Å²	72	128.6 Å²	128.6	49%	0.486	72%	0.718	S	S	.	*			trans	-79.8	105.7	169.5	-172.6	0	0	0	0	107.8	F269 H273	F269-C271 HydrophobicContact CD1-CB 4.1Å; F269-C271 HydrophobicContact CE1-CB 4.4Å; C271-H273 PolarHBondContact O-N 3.37Å; C271-H273 PolarHBondContact O-ND1 3.44Å; C271-H273 PolarHBondContact SG-CE1 3.07Å; C271-H273 PolarHBondContact SG-ND1 2.87Å; C271-H273 VanDerWaalsContact SG-ND1 3.42Å
272	L	31	Very low	30.9	Very low	167 Å²	167	127.6 Å²	127.6	87%	0.874	71%	0.711	S	S	*	*			trans	-66.1	79.7	167.3	-95.1	165.7	0	0	0	108.6	I270 G274	I270-L272 PolarHBondContact O-N 3.4Å; L272-G274 PolarHBondContact O-N 3.01Å
273	H	29.9	Very low	30.8	Very low	127 Å²	127	132 Å²	132	59%	0.588	71%	0.714	S	S	*	*			trans	-67.8	79.2	173.2	-79.3	95	0	0	0	109.7	C271 I275	C271-H273 PolarHBondContact O-N 3.37Å; C271-H273 PolarHBondContact O-ND1 3.44Å; C271-H273 PolarHBondContact SG-CE1 3.07Å; C271-H273 PolarHBondContact SG-ND1 2.87Å; C271-H273 VanDerWaalsContact SG-ND1 3.42Å; H273-I275 HydrophobicContact CB-CD1 4.49Å; H273-I275 HydrophobicContact CB-CG1 3.94Å; H273-I275 PolarHBondContact O-N 2.92Å
274	G	29.4	Very low	30.6	Very low	62 Å²	62	130.7 Å²	130.7	64%	0.639	71%	0.708	S	S	*	*			trans	-69.5	59	162.6	0	0	0	0	0	110.5	L272 F276	L272-G274 PolarHBondContact O-N 3.01Å; G274-F276 PolarHBondContact O-N 2.99Å
275	I	34.3	Very low	30.5	Very low	108 Å²	108	131.8 Å²	131.8	55%	0.554	70%	0.699	S	S	*	*			trans	-59.1	116.2	179.6	-47.2	-176.5	0	0	0	107.3	H273 T277	H273-I275 HydrophobicContact CB-CD1 4.49Å; H273-I275 HydrophobicContact CB-CG1 3.94Å; H273-I275 PolarHBondContact O-N 2.92Å; I275-T277 HydrophobicContact CG2-CG2 3.73Å; I275-T277 WeakPolarHBondContact CG2-OG1 3.38Å; I275-T277 PolarHBondContact O-N 3.24Å; I275-T277 PolarHBondContact O-OG1 2.89Å
276	F	34.3	Very low	30.6	Very low	108 Å²	108	131.1 Å²	131.1	47%	0.474	69%	0.694	S	S	.	*			trans	-71.6	25.1	-179.8	-129.3	-87.4	0	0	0	113.6	G274 Y278 P612	G274-F276 PolarHBondContact O-N 2.99Å; F276-Y278 PolarHBondContact O-N 3.29Å; F276-P612 HydrophobicContact CE1-CG 4.41Å; F276-P612 HydrophobicContact CZ-CG 4.01Å
277	T	28.7	Very low	30.6	Very low	103 Å²	103	137.3 Å²	137.3	63%	0.632	69%	0.694	S	S	*	*			trans	-67.5	78.3	161.9	45.7	0	0	0	0	109.6	I275 R279	I275-T277 HydrophobicContact CG2-CG2 3.73Å; I275-T277 WeakPolarHBondContact CG2-OG1 3.38Å; I275-T277 PolarHBondContact O-N 3.24Å; I275-T277 PolarHBondContact O-OG1 2.89Å; T277-R279 PolarHBondContact O-N 3.06Å
278	Y	35.3	Very low	30.5	Very low	132 Å²	132	135.4 Å²	135.4	52%	0.518	69%	0.691	S	S	.	*			trans	-71.9	45.2	169.4	-163.5	-101.2	0	0	0	111.7	F276 R280	F276-Y278 PolarHBondContact O-N 3.29Å; Y278-R280 HydrophobicContact CE1-CG 4.48Å; Y278-R280 HydrophobicContact CE2-CG 4.23Å; Y278-R280 PolarHBondContact O-N 3.17Å; Y278-R280 PolarHBondContact OH-NH1 3.5Å; Y278-R280 VanDerWaalsContact OH-NH1 3.09Å
279	R	26.5	Very low	30.4	Very low	236 Å²	236	137.6 Å²	137.6	89%	0.891	69%	0.693	S	S	*	*			trans	-83.8	55.7	176.6	-139.2	-179.5	-161.1	-145.5	4.3	110	T277 N281	T277-R279 PolarHBondContact O-N 3.06Å; R279-N281 PolarHBondContact O-N 3.05Å
280	R	32.7	Very low	30.5	Very low	162 Å²	162	134.4 Å²	134.4	61%	0.611	68%	0.684	S	S	*	*			trans	-59.8	103.4	173.7	-88.8	-167.6	-179.2	174	1.8	109.1	Y278 M282	Y278-R280 HydrophobicContact CE1-CG 4.48Å; Y278-R280 HydrophobicContact CE2-CG 4.23Å; Y278-R280 PolarHBondContact O-N 3.17Å; Y278-R280 PolarHBondContact OH-NH1 3.5Å; Y278-R280 VanDerWaalsContact OH-NH1 3.09Å; R280-M282 HydrophobicContact CB-CG 4.11Å; R280-M282 PolarHBondContact O-N 3.31Å
281	N	25	Very low	30.4	Very low	143 Å²	143	131.4 Å²	131.4	77%	0.765	68%	0.682	S	S	*	*			trans	-74.5	65	173.1	-164.3	-27.6	0	0	0	109.9	R279 K283	R279-N281 PolarHBondContact O-N 3.05Å; N281-K283 VanDerWaalsContact C-N 3.35Å; N281-K283 PolarHBondContact O-N 2.81Å; N281-K283 VanDerWaalsContact O-N 3.07Å
282	M	32.6	Very low	30.2	Very low	148 Å²	148	139.1 Å²	139.1	73%	0.729	70%	0.702	S	S	*	*			trans	-81.4	82.1	179.3	-78.5	-68	177.9	0	0	109.9	R280 S284	R280-M282 HydrophobicContact CB-CG 4.11Å; R280-M282 PolarHBondContact O-N 3.31Å; M282-S284 PolarHBondContact O-N 2.97Å
283	K	30.1	Very low	30.3	Very low	175 Å²	175	139.3 Å²	139.3	76%	0.761	70%	0.703	S	S	*	*			trans	-59.1	117.4	159.5	-73.3	-177.2	175.5	-179	0	108.9	N281	N281-K283 VanDerWaalsContact C-N 3.35Å; N281-K283 PolarHBondContact O-N 2.81Å; N281-K283 VanDerWaalsContact O-N 3.07Å
284	S	27.5	Very low	30.3	Very low	106 Å²	106	139.1 Å²	139.1	74%	0.741	72%	0.716	S	S	*	*			trans	44.1	95.1	155.9	59.5	0	0	0	0	117.4	M282	M282-S284 PolarHBondContact O-N 2.97Å
285	N	28.6	Very low	30.4	Very low	128 Å²	128	141.1 Å²	141.1	68%	0.684	73%	0.727	S	S	*	*			trans	-149.9	109.6	134.8	-146.1	18.3	0	0	0	111.1
286	P	32.5	Very low	30.3	Very low	111 Å²	111	142.9 Å²	142.9	72%	0.721	74%	0.743	S	S	*	*			trans	-79.5	123.9	174.9	31.4	-31	0	0	0	109.9	P288	P286-P288 VanDerWaalsContact O-CD 3.24Å; P286-P288 WeakPolarHBondContact O-CD 3.38Å
287	Y	28.4	Very low	30.4	Very low	209 Å²	209	142.4 Å²	142.4	82%	0.82	76%	0.759	S	S	*	*			trans	-88.3	108.8	166.3	-78.8	-77.1	0	0	0	109.5
288	P	33.7	Very low	30.6	Very low	107 Å²	107	141.6 Å²	141.6	70%	0.695	77%	0.771	S	S	*	*			trans	-73.7	129.6	177.2	30.3	-34.2	0	0	0	110.7	P286	P286-P288 VanDerWaalsContact O-CD 3.24Å; P286-P288 WeakPolarHBondContact O-CD 3.38Å
289	L	27.9	Very low	30.4	Very low	158 Å²	158	139 Å²	139	83%	0.827	79%	0.785	S	S	*	*	S	Bend	trans	-74	128.4	172.8	-164.7	158.2	0	0	0	109
290	N	29.8	Very low	30.9	Very low	111 Å²	111	135.5 Å²	135.5	59%	0.594	78%	0.782	S	S	*	*			trans	87.3	93.9	-168.9	-53.5	-91	0	0	0	115.6
291	A	29.1	Very low	31.1	Very low	86 Å²	86	133.4 Å²	133.4	71%	0.711	79%	0.789	S	S	*	*			trans	-153.1	49	161.4	0	0	0	0	0	113.1
292	Y	26.6	Very low	31.6	Very low	234 Å²	234	132.9 Å²	132.9	92%	0.918	79%	0.793	S	S	*	*			trans	-114.1	62	176.9	-101.4	-79.4	0	0	0	112.6
293	L	32.9	Very low	31.8	Very low	172 Å²	172	131 Å²	131	90%	0.901	80%	0.801	S	S	*	*	S	Bend	trans	-145.4	144.6	161.8	-75.6	179.9	0	0	0	109.1
294	S	30.8	Very low	32.1	Very low	122 Å²	122	130 Å²	130	85%	0.853	80%	0.804	S	S	*	*			trans	68.3	86.7	173.7	-170.8	0	0	0	0	117.8
295	A	30.8	Very low	32.5	Very low	104 Å²	104	129.9 Å²	129.9	86%	0.86	80%	0.799	S	S	*	*			trans	-155.1	46.6	162.1	0	0	0	0	0	113.7
296	T	33.3	Very low	32.8	Very low	145 Å²	145	132.3 Å²	132.3	89%	0.89	80%	0.8	S	S	*	*			trans	-112.5	83.4	179.4	39.2	0	0	0	0	113.1
297	A	35	Very low	33	Very low	99 Å²	99	136.2 Å²	136.2	82%	0.818	80%	0.802	S	S	*	*			trans	-161.8	114.3	155.3	0	0	0	0	0	109.9
298	G	33.3	Very low	33.4	Very low	85 Å²	85	129.6 Å²	129.6	88%	0.876	80%	0.797	S	S	*	*			trans	-75	143.7	168.3	0	0	0	0	0	110.8
299	G	32.1	Very low	33.6	Very low	79 Å²	79	131 Å²	131	81%	0.814	81%	0.806	S	S	*	*			trans	-84.3	164	-173.3	0	0	0	0	0	115.4
300	I	35.6	Very low	34.2	Very low	161 Å²	161	127 Å²	127	83%	0.826	80%	0.803	S	S	*	*			trans	-127.4	135.7	163.1	-63.8	-178.9	0	0	0	106.6
301	P	37	Very low	34.6	Very low	118 Å²	118	132.9 Å²	132.9	77%	0.766	82%	0.819	S	S	*	*			trans	-74	165.2	-169.8	29	-35.9	0	0	0	114.5
302	P	35	Very low	35.1	Very low	132 Å²	132	133.4 Å²	133.4	86%	0.857	82%	0.823	S	S	*	*			trans	-92.1	153.9	-156	35.3	-37.1	0	0	0	115.7
303	A	36.8	Very low	35.6	Very low	108 Å²	108	127.1 Å²	127.1	89%	0.893	82%	0.82	S	S	*	*			trans	-132.2	153	160.7	0	0	0	0	0	109.8
304	N	37.6	Very low	35.8	Very low	154 Å²	154	124.4 Å²	124.4	82%	0.824	82%	0.815	S	S	*	*			trans	-102.8	159.2	-154.7	-158.9	8.7	0	0	0	114
305	T	35.3	Very low	36.6	Very low	104 Å²	104	123 Å²	123	64%	0.638	80%	0.803	S	S	*	*			trans	82.1	127	149.2	-35.6	0	0	0	0	121.3
306	Y	35	Very low	36.9	Very low	180 Å²	180	127.4 Å²	127.4	71%	0.706	80%	0.803	S	S	*	*			trans	87.2	111.8	147.5	-106.6	-125.1	0	0	0	124.5
307	Y	37.6	Very low	37.1	Very low	192 Å²	192	125 Å²	125	75%	0.753	80%	0.798	S	S	*	*				60.3	131	129	-86.5	-119	0	0	0	123
308	G	36.3	Very low	37.2	Very low	70 Å²	70	124.6 Å²	124.6	72%	0.722	80%	0.795	S	S	*	*			trans	113.6	101.5	140.7	0	0	0	0	0	117.3
309	P	36.9	Very low	37.3	Very low	136 Å²	136	126.8 Å²	126.8	88%	0.883	80%	0.796	S	S	*	*			trans	-85	141.1	171.3	33.6	-32.6	0	0	0	112.5
310	G	41.3	Very low	37.6	Very low	74 Å²	74	126.9 Å²	126.9	76%	0.763	80%	0.797	S	S	*	*			trans	-144.4	125.4	178.2	0	0	0	0	0	112.9
311	Y	38.8	Very low	37.4	Very low	235 Å²	235	126.9 Å²	126.9	92%	0.922	80%	0.797	S	S	*	*			trans	-68.4	145.1	-175.5	-49.8	-100.3	0	0	0	114.1
312	A	38.9	Very low	37.4	Very low	97 Å²	97	128.4 Å²	128.4	80%	0.802	80%	0.804	S	S	*	*				171	152	119.8	0	0	0	0	0	115.9
313	A	37.1	Very low	37.3	Very low	103 Å²	103	126 Å²	126	85%	0.851	80%	0.796	S	S	*	*			trans	61.2	101.1	147.3	0	0	0	0	0	122.2
314	S	36.9	Very low	37.1	Very low	114 Å²	114	127.3 Å²	127.3	80%	0.797	79%	0.793	S	S	*	*			trans	-76.3	-167.2	151.7	-140.9	0	0	0	0	110.9
315	P	47.4	Very low	37	Very low	93 Å²	93	128.5 Å²	128.5	60%	0.604	79%	0.794	S	S	*	*			cis	-137.8	-176	-7.9	41	-23	0	0	0	115.3
316	F	37.1	Very low	36.7	Very low	196 Å²	196	130.2 Å²	130.2	86%	0.86	80%	0.799	S	S	*	*				-173.3	130	124.6	-98.8	-63.1	0	0	0	113.1
317	A	38.6	Very low	36.5	Very low	96 Å²	96	131.7 Å²	131.7	79%	0.793	81%	0.809	S	S	*	*			trans	40.6	138.6	152.5	0	0	0	0	0	122.6
318	A	37.5	Very low	36.2	Very low	90 Å²	90	127.7 Å²	127.7	74%	0.744	81%	0.805	S	S	*	*			cis	-163.2	144.6	-9.5	0	0	0	0	0	113.8
319	S	34.6	Very low	35.9	Very low	130 Å²	130	132.8 Å²	132.8	91%	0.909	81%	0.812	S	S	*	*			trans	48.7	122.8	143.6	-55.8	0	0	0	0	123.1
320	G	39.2	Very low	35.6	Very low	81 Å²	81	131.9 Å²	131.9	84%	0.835	80%	0.804	S	S	*	*			trans	171.2	49.8	165	0	0	0	0	0	116.6
321	I	30.7	Very low	35.1	Very low	161 Å²	161	136.4 Å²	136.4	83%	0.826	81%	0.811	S	S	*	*			trans	-109.6	136.7	-170.9	-61	171.4	0	0	0	112.6
322	V	37.3	Very low	34.9	Very low	150 Å²	150	133.8 Å²	133.8	91%	0.909	81%	0.807	S	S	*	*			trans	-133	132.6	148.7	-178.6	0	0	0	0	109.2
323	A	33.3	Very low	34.5	Very low	83 Å²	83	133.6 Å²	133.6	69%	0.686	81%	0.805	S	S	*	*			trans	-54	142.4	-164.3	0	0	0	0	0	117.9
324	T	31.8	Very low	34.4	Very low	135 Å²	135	137 Å²	137	83%	0.828	81%	0.808	S	S	*	*			trans	-90.1	139.4	145.8	37	0	0	0	0	110.1
325	Q	35.6	Very low	34.1	Very low	179 Å²	179	138.8 Å²	138.8	84%	0.836	81%	0.809	S	S	*	*			trans	-106.4	127.9	167	-83.9	-76.4	6.1	0	0	108.4
326	N	28.6	Very low	33.3	Very low	140 Å²	140	145 Å²	145	75%	0.749	82%	0.822	S	S	*	*			trans	-85.1	141.4	170.4	-79.2	-21.3	0	0	0	109.6
327	F	30.9	Very low	32.9	Very low	210 Å²	210	141.3 Å²	141.3	92%	0.921	82%	0.82	S	S	*	*			trans	-132.6	146.6	154.3	-125.5	-91.8	0	0	0	109.7
328	T	30.7	Very low	32.6	Very low	108 Å²	108	139.1 Å²	139.1	66%	0.663	81%	0.807	S	S	*	*			trans	-119	157.3	-162.1	35.4	0	0	0	0	112.7
329	M	30.4	Very low	32.5	Very low	177 Å²	177	145.6 Å²	145.6	87%	0.872	81%	0.814	S	S	*	*			trans	69.1	151.3	174.2	-51.2	-60.2	-179	0	0	114.9
330	T	31.3	Very low	32.5	Very low	118 Å²	118	144.6 Å²	144.6	72%	0.724	81%	0.807	S	S	*	*			cis	-123.7	155.7	0.9	45.8	0	0	0	0	111.6
331	N	30.8	Very low	32.2	Very low	169 Å²	169	145.9 Å²	145.9	90%	0.904	81%	0.81	S	S	*	*			trans	-109.1	133.8	153.1	-95	-57.7	0	0	0	107.4
332	Q	33.2	Very low	32.4	Very low	180 Å²	180	147.6 Å²	147.6	84%	0.841	82%	0.817	S	S	*	*			trans	-110.1	115.9	165.9	-78.5	-174.4	-26.8	0	0	108.8
333	A	31.1	Very low	32.2	Very low	92 Å²	92	143.4 Å²	143.4	76%	0.76	80%	0.803	S	S	*	*			trans	-79.5	149	162	0	0	0	0	0	109.1
334	L	36.4	Very low	32.2	Very low	175 Å²	175	145.2 Å²	145.2	92%	0.916	81%	0.811	S	S	*	*			trans	-124.1	113.3	164	-79	171.8	0	0	0	107.7
335	D	29.3	Very low	32.3	Very low	152 Å²	152	149.1 Å²	149.1	81%	0.813	81%	0.812	S	S	*	*			trans	-69.5	142.3	173	-77.2	-67.1	0	0	0	111.2
336	Y	30.6	Very low	32.2	Very low	224 Å²	224	145.8 Å²	145.8	88%	0.878	81%	0.806	S	S	*	*			trans	-143.1	100.6	148.8	-154.8	-91.2	0	0	0	109.8
337	S	28.5	Very low	32.6	Very low	117 Å²	117	147.4 Å²	147.4	82%	0.818	81%	0.809	S	S	*	*			trans	-123.4	137.1	-179.4	-174.2	0	0	0	0	110.4
338	G	33	Very low	32.7	Very low	50 Å²	50	142.9 Å²	142.9	52%	0.515	80%	0.799	S	S	.	*			trans	107.8	109.7	173.7	0	0	0	0	0	114.6
339	Y	35.3	Very low	32.7	Very low	226 Å²	226	148.1 Å²	148.1	89%	0.886	81%	0.808	S	S	*	*				-158	151.9	108.8	-120.1	-82.4	0	0	0	111.7
340	S	33.5	Very low	32.8	Very low	110 Å²	110	143.9 Å²	143.9	77%	0.769	79%	0.794	S	S	*	*			trans	53.9	92.2	165.7	-63.4	0	0	0	0	118.9
341	A	33.4	Very low	32.6	Very low	107 Å²	107	146.1 Å²	146.1	88%	0.884	80%	0.796	S	S	*	*			trans	-95.2	125	145	0	0	0	0	0	109.7
342	M	34.6	Very low	32.6	Very low	198 Å²	198	147.3 Å²	147.3	98%	0.975	79%	0.789	S	S	*	*			trans	-161.6	145.7	160.8	-167.8	178.8	179.7	0	0	110.2
343	G	34.9	Very low	32.5	Very low	61 Å²	61	149.5 Å²	149.5	63%	0.629	79%	0.792	S	S	*	*			trans	107.2	60.8	161.3	0	0	0	0	0	116.7
344	S	31.3	Very low	32.5	Very low	122 Å²	122	150.7 Å²	150.7	85%	0.853	79%	0.79	S	S	*	*			trans	-74.2	126.9	166	-57	0	0	0	0	111.3
345	Y	33.9	Very low	32.3	Very low	216 Å²	216	149.3 Å²	149.3	85%	0.847	78%	0.783	S	S	*	*			trans	-135.2	125.4	162	-77.8	-82.6	0	0	0	109.6
346	P	34.5	Very low	32.5	Very low	110 Å²	110	149.6 Å²	149.6	71%	0.714	78%	0.784	S	S	*	*			trans	-82	142.5	176	33.1	-32.9	0	0	0	110.9
347	Q	37.4	Very low	32.6	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.813	77%	0.773	S	S	*	*			trans	-132.2	123.7	161.2	-84.7	-63.3	-8.7	0	0	110.2
348	T	32.2	Very low	32.8	Very low	115 Å²	115	143.8 Å²	143.8	71%	0.706	78%	0.775	S	S	*	*			trans	-119.9	110.4	-172.1	49.6	0	0	0	0	109.8
349	Y	31.9	Very low	32.8	Very low	218 Å²	218	151.4 Å²	151.4	86%	0.855	79%	0.79	S	S	*	*			trans	-131.8	152.1	162.6	-98.3	-93.1	0	0	0	110.3
350	P	31.4	Very low	32.9	Very low	88 Å²	88	145.8 Å²	145.8	57%	0.571	78%	0.781	S	S	*	*			trans	-93.9	155.2	-142.4	34.5	-37.1	0	0	0	115.7	Y352	P350-Y352 HydrophobicContact CB-CD2 4.47Å; P350-Y352 HydrophobicContact CB-CE2 4.3Å; P350-Y352 HydrophobicContact CG-CD2 4.08Å; P350-Y352 HydrophobicContact CG-CE2 3.78Å
351	Q	27.3	Very low	32.8	Very low	165 Å²	165	146.7 Å²	146.7	77%	0.771	78%	0.782	S	S	*	*			trans	-62.9	130.9	162.7	-72.5	-82	-43	0	0	110.9
352	Y	31.7	Very low	32.8	Very low	194 Å²	194	151.3 Å²	151.3	76%	0.761	78%	0.778	S	S	*	*			trans	-131.6	153.2	161.4	-86.5	-91.4	0	0	0	108.7	P350	P350-Y352 HydrophobicContact CB-CD2 4.47Å; P350-Y352 HydrophobicContact CB-CE2 4.3Å; P350-Y352 HydrophobicContact CG-CD2 4.08Å; P350-Y352 HydrophobicContact CG-CE2 3.78Å
353	Y	31.1	Very low	33	Very low	226 Å²	226	148.5 Å²	148.5	89%	0.886	77%	0.766	S	S	*	*			trans	73.4	67.7	-169.8	-65.3	-79.8	0	0	0	117.1
354	T	29.8	Very low	32.8	Very low	117 Å²	117	149 Å²	149	72%	0.718	77%	0.771	S	S	*	*			trans	-120.8	71	153.8	43.4	0	0	0	0	111.3
355	N	32	Very low	33.4	Very low	145 Å²	145	148.7 Å²	148.7	78%	0.775	77%	0.767	S	S	*	*			trans	-163.4	107.1	162.1	-123.9	-90.2	0	0	0	112.6
356	L	34.9	Very low	33.6	Very low	159 Å²	159	143.8 Å²	143.8	83%	0.832	77%	0.771	S	S	*	*				-177.3	151.2	117	-121.7	62.6	0	0	0	112.5
357	A	31.4	Very low	33.7	Very low	79 Å²	79	141.9 Å²	141.9	65%	0.653	77%	0.771	S	S	*	*			trans	52.7	86.2	157.5	0	0	0	0	0	119.3	Y359	A357-Y359 PolarHBondContact O-N 3.32Å
358	T	33.4	Very low	33.4	Very low	140 Å²	140	140.1 Å²	140.1	86%	0.859	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-58.8	126.3	151.8	-53	0	0	0	0	110.4
359	Y	32.2	Very low	33.5	Very low	210 Å²	210	138.2 Å²	138.2	82%	0.824	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-93.5	137.3	163.6	-101.7	-95.7	0	0	0	110.4	A357	A357-Y359 PolarHBondContact O-N 3.32Å
360	P	37.2	Very low	33.6	Very low	107 Å²	107	133.8 Å²	133.8	70%	0.695	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-80.2	134.8	-171.9	30.6	-34.9	0	0	0	113.2	Y362	P360-Y362 PolarHBondContact O-N 3.19Å
361	T	31.8	Very low	33.7	Very low	129 Å²	129	133.6 Å²	133.6	79%	0.791	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-66.3	126.1	164.1	-47.9	0	0	0	0	109.7
362	Y	34	Very low	34	Very low	205 Å²	205	129.3 Å²	129.3	80%	0.804	80%	0.795	S	S	*	*			trans	-109.1	103.9	174.8	-151.6	-84.9	0	0	0	111.1	P360	P360-Y362 PolarHBondContact O-N 3.19Å
363	N	39.2	Very low	34.1	Very low	138 Å²	138	126.2 Å²	126.2	74%	0.738	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-73.1	133.4	171	-73.9	-11.7	0	0	0	109.8
364	G	29.5	Very low	34.2	Very low	71 Å²	71	125.4 Å²	125.4	73%	0.732	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-75.2	135.9	175.7	0	0	0	0	0	112.5
365	P	44.4	Very low	34.4	Very low	117 Å²	117	127.7 Å²	127.7	76%	0.76	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-79.7	133.6	166.1	-6.4	24	0	0	0	110.6
366	A	38.2	Very low	34.5	Very low	113 Å²	113	125.2 Å²	125.2	93%	0.934	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-82.4	127.3	161.9	0	0	0	0	0	109.2
367	G	36.2	Very low	34.5	Very low	70 Å²	70	124.2 Å²	124.2	72%	0.722	81%	0.806	S	S	*	*			trans	-166.7	123.3	-177.5	0	0	0	0	0	112.3
368	C	32.4	Very low	34.8	Very low	137 Å²	137	126.9 Å²	126.9	93%	0.926	81%	0.814	S	S	*	*			trans	-33.9	151.8	177.8	49.1	0	0	0	0	119.2
369	G	33.5	Very low	34.9	Very low	75 Å²	75	123.8 Å²	123.8	77%	0.773	80%	0.802	S	S	*	*			trans	124	84.6	138.9	0	0	0	0	0	119
370	S	35.1	Very low	35.1	Very low	125 Å²	125	119.3 Å²	119.3	87%	0.874	80%	0.799	S	S	*	*			trans	46.1	109.8	142.5	-167.2	0	0	0	0	121.3
371	G	33	Very low	35	Very low	84 Å²	84	123.1 Å²	123.1	87%	0.866	81%	0.805	S	S	*	*			trans	73.2	91.1	131	0	0	0	0	0	119.6
372	G	33.3	Very low	34.9	Very low	75 Å²	75	127.7 Å²	127.7	77%	0.773	81%	0.809	S	S	*	*			trans	-174.8	117.2	162.8	0	0	0	0	0	111.9
373	V	32.9	Very low	34.9	Very low	129 Å²	129	126.7 Å²	126.7	78%	0.782	81%	0.812	S	S	*	*			trans	-107.9	109.6	-175	-178.6	0	0	0	0	110.8
374	F	34.3	Very low	34.8	Very low	209 Å²	209	128.2 Å²	128.2	92%	0.917	82%	0.819	S	S	*	*			trans	-143.2	136.3	162.9	-77.3	-71.5	0	0	0	111
375	N	33.9	Very low	35	Very low	165 Å²	165	131 Å²	131	88%	0.882	82%	0.822	S	S	*	*			trans	-84.6	149.9	-173.2	-76.8	-15.7	0	0	0	113.1
376	A	34.6	Very low	34.6	Very low	92 Å²	92	136.1 Å²	136.1	76%	0.76	83%	0.826	S	S	*	*			trans	-99.9	130	175.4	0	0	0	0	0	113.1
377	T	34.7	Very low	34.8	Very low	139 Å²	139	136.8 Å²	136.8	85%	0.853	82%	0.818	S	S	*	*			trans	41.6	110.5	143	-37.2	0	0	0	0	120.2
378	T	36.7	Very low	35	Very low	134 Å²	134	138.5 Å²	138.5	82%	0.822	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-85.4	125.4	170.7	-30.7	0	0	0	0	112.4
379	A	36.8	Very low	35.3	Very low	75 Å²	75	137 Å²	137	62%	0.62	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-82.9	151.8	163.5	0	0	0	0	0	111.1	K381	A379-K381 PolarHBondContact O-N 3.48Å
380	P	35.9	Very low	35.3	Very low	117 Å²	117	139.7 Å²	139.7	76%	0.76	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.5	126.2	-171.8	26.9	-34.5	0	0	0	113
381	K	35	Very low	35.4	Very low	186 Å²	186	140.2 Å²	140.2	81%	0.809	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-88.1	120.9	169.7	-69	-179.6	178.3	178.3	0	110	A379 Q383	A379-K381 PolarHBondContact O-N 3.48Å; K381-Q383 PolarHBondContact O-N 3.03Å
382	Y	30.4	Very low	35.4	Very low	226 Å²	226	141.8 Å²	141.8	89%	0.886	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-70.3	121.7	162.7	-70.2	-89.4	0	0	0	109.2
383	Q	33.1	Very low	35.6	Very low	184 Å²	184	145.1 Å²	145.1	86%	0.86	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-88.1	128.4	172.1	-67.6	-173.2	1.2	0	0	109.6	K381	K381-Q383 PolarHBondContact O-N 3.03Å
384	L	36.3	Very low	35.8	Very low	170 Å²	170	144.2 Å²	144.2	89%	0.89	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-77.9	123	171.7	-174.8	66.9	0	0	0	109.3	R386	L384-R386 PolarHBondContact O-N 2.63Å
385	T	34.5	Very low	35.7	Very low	128 Å²	128	139.6 Å²	139.6	79%	0.785	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-61.7	120.8	-176.8	-43.9	0	0	0	0	111.3	V387	T385-V387 PolarHBondContact O-N 2.98Å
386	R	36.7	Very low	36	Very low	226 Å²	226	140.8 Å²	140.8	85%	0.853	81%	0.805	S	S	*	*			trans	-76.5	110.3	-175	-171.6	-177.7	-169.5	178.2	4.8	111.2	L384	L384-R386 PolarHBondContact O-N 2.63Å
387	V	42.7	Very low	36	Very low	126 Å²	126	145.7 Å²	145.7	76%	0.764	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69.3	142.7	168.3	-175.3	0	0	0	0	109.3	T385	T385-V387 PolarHBondContact O-N 2.98Å
388	P	38.9	Very low	36	Very low	107 Å²	107	145.1 Å²	145.1	70%	0.695	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-63.3	146.4	-175.7	-24.5	35.4	0	0	0	114
389	P	38.5	Very low	36	Very low	106 Å²	106	144.7 Å²	144.7	69%	0.688	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-77.4	127.2	174.9	31.3	-32.8	0	0	0	111.4
390	C	34	Very low	35.8	Very low	130 Å²	130	147 Å²	147	88%	0.878	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-69.9	149	168.5	-65.4	0	0	0	0	111.2
391	T	36.6	Very low	35.9	Very low	137 Å²	137	148.1 Å²	148.1	84%	0.84	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-76.2	153.3	-167.9	42.3	0	0	0	0	114.9
392	S	33.6	Very low	36	Very low	117 Å²	117	143.6 Å²	143.6	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-58	144.3	-178.4	53	0	0	0	0	115.6
393	V	38.5	Very low	35.9	Very low	144 Å²	144	138.4 Å²	138.4	87%	0.873	80%	0.801	S	S	*	*			trans	-104.3	148.3	159.8	-170.4	0	0	0	0	109.2
394	S	36.6	Very low	36.1	Very low	111 Å²	111	139.1 Å²	139.1	78%	0.776	80%	0.802	S	S	*	*			trans	-66.7	141.6	-164.3	-175.3	0	0	0	0	115.4
395	S	32.6	Very low	36	Very low	112 Å²	112	136.2 Å²	136.2	78%	0.783	79%	0.791	S	S	*	*			trans	-60	145.2	168.8	-44.2	0	0	0	0	113
396	Q	40.1	Very low	36	Very low	190 Å²	190	136.6 Å²	136.6	89%	0.888	79%	0.793	S	S	*	*			trans	-126.8	148.2	157	-70.1	-169.2	-9.5	0	0	109.7
397	K	34.1	Very low	36.1	Very low	195 Å²	195	130.7 Å²	130.7	85%	0.848	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-84.7	137	-172.2	-63.4	177.1	-179.6	177	0	111.2
398	P	34.9	Very low	35.6	Very low	127 Å²	127	130.1 Å²	130.1	83%	0.825	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.5	137.8	165.8	30.3	-33.1	0	0	0	110.4
399	V	36.9	Very low	35.5	Very low	124 Å²	124	128.9 Å²	128.9	75%	0.752	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-95.9	131.7	173.1	178.4	0	0	0	0	108.6
400	P	31.4	Very low	35.3	Very low	123 Å²	123	134.4 Å²	134.4	80%	0.799	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-75.8	135.2	177.2	31	-33.8	0	0	0	111
401	V	38.7	Very low	35.4	Very low	141 Å²	141	131.6 Å²	131.6	86%	0.855	81%	0.814	S	S	*	*			trans	-118.3	144.3	170.6	178.8	0	0	0	0	109.1
402	S	36.3	Very low	35.4	Very low	91 Å²	91	135.6 Å²	135.6	64%	0.636	82%	0.82	S	S	*	*			trans	-80.5	149.1	-156.5	54.3	0	0	0	0	116.1
403	T	30.1	Very low	35.8	Very low	117 Å²	117	141.3 Å²	141.3	72%	0.718	82%	0.823	S	S	*	*			trans	-39.8	132.5	167.4	-37.5	0	0	0	0	115	T405	T403-T405 HydrophobicContact CG2-CG2 3.89Å
404	F	37.2	Very low	35.8	Very low	200 Å²	200	144.4 Å²	144.4	88%	0.877	82%	0.82	S	S	*	*			trans	-131.9	140.2	150.8	-85.2	-82	0	0	0	109.3
405	T	32.6	Very low	36	Very low	109 Å²	109	148.6 Å²	148.6	67%	0.669	82%	0.824	S	S	*	*			trans	-120.2	165.9	-168.9	46.6	0	0	0	0	113.2	T403	T403-T405 HydrophobicContact CG2-CG2 3.89Å
406	T	34.8	Very low	36.4	Very low	135 Å²	135	148.5 Å²	148.5	83%	0.828	82%	0.82	S	S	*	*			trans	95.5	166	160.3	77.6	0	0	0	0	119
407	A	39	Very low	36.4	Very low	102 Å²	102	143.1 Å²	143.1	84%	0.843	81%	0.809	S	S	*	*			trans	71	103.9	-178.9	0	0	0	0	0	117.3
408	A	32.6	Very low	37.1	Very low	115 Å²	115	137.3 Å²	137.3	95%	0.95	79%	0.787	S	S	*	*			trans	-84	146.9	177.1	0	0	0	0	0	113.2
409	G	36.3	Very low	38	Very low	80 Å²	80	136.2 Å²	136.2	83%	0.825	77%	0.773	S	S	*	*			trans	-137.6	127.6	171.8	0	0	0	0	0	112.1
410	K	34.6	Very low	38.9	Very low	223 Å²	223	130.8 Å²	130.8	97%	0.97	74%	0.741	S	S	*	*			trans	-80.2	124.9	180	-68.9	173.5	178.7	172.8	0	110.7
411	G	36.1	Very low	40.2	Very low	70 Å²	70	130.3 Å²	130.3	72%	0.722	74%	0.737	S	S	*	*			trans	-172.6	69.1	178.1	0	0	0	0	0	114.9	R413	G411-R413 PolarHBondContact O-N 3.09Å
412	K	37.6	Very low	41.4	Very low	221 Å²	221	128 Å²	128	96%	0.961	73%	0.728	S	S	*	*			trans	-77.6	57.6	-176	-159.7	175.2	-174.4	178.2	0	113
413	R	41	Very low	43	Very low	237 Å²	237	125 Å²	125	89%	0.894	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-88.9	116.2	180	-165	173.4	-176.7	-177.3	0.3	109.8	G411 K415	G411-R413 PolarHBondContact O-N 3.09Å; R413-K415 PolarHBondContact O-N 2.84Å
414	R	39.2	Very low	44.6	Very low	210 Å²	210	129.1 Å²	129.1	79%	0.792	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-54.9	123.6	174.4	-77	173.4	163	171.1	-11.4	109.3
415	K	39.1	Very low	46	Very low	198 Å²	198	121 Å²	121	86%	0.861	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-69.4	137.7	164.8	-70.3	-177.1	176.8	-178.7	0	108.3	R413	R413-K415 PolarHBondContact O-N 2.84Å
416	P	41.7	Very low	48.5	Very low	110 Å²	110	123.4 Å²	123.4	71%	0.714	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-64.5	138.9	164	29.1	-32.8	0	0	0	109
417	A	39.5	Very low	51.1	Low	78 Å²	78	119.9 Å²	119.9	65%	0.645	67%	0.671	S	S	*	*	S	Bend	trans	-82.8	153.9	179.5	0	0	0	0	0	111.4	I419	A417-I419 PolarHBondContact O-N 3.3Å
418	N	49	Very low	53.6	Low	73 Å²	73	119.3 Å²	119.3	39%	0.39	65%	0.65	S	S	.	*			trans	38.3	67.9	171.2	-70.5	16.2	0	0	0	116.7	D494 A498	N418-D494 PolarHBondContact ND2-O 3.03Å; N418-A498 PolarHBondContact ND2-N 3.34Å
419	I	53.7	Low	56.5	Low	103 Å²	103	115.9 Å²	115.9	53%	0.528	61%	0.613	S	S	.	*			trans	-81.5	114.7	141.7	-59.3	174.1	0	0	0	105.5	A417 R652	A417-I419 PolarHBondContact O-N 3.3Å; I419-R652 HydrophobicContact CG2-CB 4.45Å
420	S	57	Low	59.3	Low	11 Å²	11	112 Å²	112	8%	0.077	57%	0.574	C	S	.	*	P	Polyproline II helix	trans	-48.2	138.4	169.2	57.5	0	0	0	0	109.5	S422 D494 R652	S420-S422 PolarHBondContact O-N 3.03Å; S420-D494 WeakPolarHBondContact CB-OD2 3.39Å; S420-R652 WeakPolarHBondContact OG-CD 3.39Å; S420-R652 VanDerWaalsContact OG-CZ 3.31Å; S420-R652 PolarHBondContact OG-NE 2.97Å; S420-R652 VanDerWaalsContact OG-NE 3.16Å; S420-R652 PolarHBondContact OG-NH1 3.5Å; S420-R652 VanDerWaalsContact OG-NH1 3.08Å
421	P	57.3	Low	62.2	Low	112 Å²	112	101.9 Å²	101.9	73%	0.727	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-47	131.6	-166.3	17.2	-31.5	0	0	0	112.5	P423	P421-P423 VanDerWaalsContact O-N 3.07Å
422	S	64.4	Low	65.1	Low	93 Å²	93	98.7 Å²	98.7	65%	0.65	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-51.3	117.5	-179.7	-175.7	0	0	0	0	108.5	S420 E424	S420-S422 PolarHBondContact O-N 3.03Å; S422-E424 PolarHBondContact O-N 3.29Å
423	P	69.5	Low	68	Low	29 Å²	29	88.2 Å²	88.2	19%	0.188	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-68.4	133.4	-168.8	29	-34.7	0	0	0	109.1	P421 G425 Y427 R652 Y653	P421-P423 VanDerWaalsContact O-N 3.07Å; P423-G425 PolarHBondContact O-N 3.31Å; P423-Y427 HydrophobicContact CB-CE2 3.86Å; P423-Y427 HydrophobicContact CG-CD2 4.39Å; P423-Y427 HydrophobicContact CG-CE2 3.87Å; P423-R652 HydrophobicContact CG-CG 4.46Å; P423-Y653 HydrophobicContact CB-CE1 4.34Å; P423-Y653 HydrophobicContact CG-CD1 3.67Å; P423-Y653 HydrophobicContact CG-CE1 3.54Å; P423-Y653 HydrophobicContact CG-CG 4.34Å
424	E	63.4	Low	70.7	Confident	203 Å²	203	77.4 Å²	77.4	95%	0.949	41%	0.41	S	S	*	.	S	Bend	trans	-73.1	6.6	-165.3	-56.6	-174.8	150	0	0	114.4	S422	S422-E424 PolarHBondContact O-N 3.29Å
425	G	67.9	Low	73.4	Confident	30 Å²	30	67.4 Å²	67.4	31%	0.309	37%	0.372	S	S	.	.	S	Bend	trans	-85.7	140.5	178.7	0	0	0	0	0	113.5	P423 Y427	P423-G425 PolarHBondContact O-N 3.31Å; G425-Y427 WeakPolarHBondContact O-CD2 3.1Å; G425-Y427 PolarHBondContact O-N 2.83Å
426	N	83.8	Confident	76.1	Confident	159 Å²	159	59 Å²	59	85%	0.85	34%	0.337	S	S	*	.			trans	-77.6	75.4	167.4	-72.3	-62	0	0	0	109.8
427	Y	90	Very high	78.6	Confident	61 Å²	61	54.7 Å²	54.7	24%	0.239	31%	0.307	C	S	.	.			trans	-72.5	133.5	-175.4	-65.1	-78.2	0	0	0	113.2	P423 G425 I430 N602 Y603 A604 Y653 C657	P423-Y427 HydrophobicContact CB-CE2 3.86Å; P423-Y427 HydrophobicContact CG-CD2 4.39Å; P423-Y427 HydrophobicContact CG-CE2 3.87Å; G425-Y427 WeakPolarHBondContact O-CD2 3.1Å; G425-Y427 PolarHBondContact O-N 2.83Å; Y427-I430 HydrophobicContact CD1-CD1 4.07Å; Y427-I430 HydrophobicContact CG-CD1 3.92Å; Y427-N602 CarbonylContact C-O 3.53Å; Y427-N602 VanDerWaalsContact CA-O 3.27Å; Y427-N602 WeakPolarHBondContact CA-O 3.5Å; Y427-Y603 WeakPolarHBondContact CE1-O 3.26Å; Y427-A604 HydrophobicContact CD1-CB 4.01Å; Y427-A604 HydrophobicContact CE1-CB 3.78Å; Y427-Y653 HydrophobicContact CD1-CE1 4.5Å; Y427-Y653 AromaticContact CD2-CD1 3.6Å; Y427-Y653 HydrophobicContact CD2-CD1 3.6Å; Y427-Y653 AromaticContact CD2-CE1 3.8Å; Y427-Y653 HydrophobicContact CD2-CE1 3.8Å; Y427-Y653 HydrophobicContact CE1-CE1 4.43Å; Y427-Y653 AromaticContact CE2-CD1 3.97Å; Y427-Y653 HydrophobicContact CE2-CD1 3.97Å; Y427-Y653 AromaticContact CE2-CE1 3.71Å; Y427-Y653 HydrophobicContact CE2-CE1 3.71Å; Y427-Y653 AromaticContact CG-CD1 4Å; Y427-Y653 HydrophobicContact CG-CD1 4Å; Y427-Y653 HydrophobicContact CG-CE1 4.21Å; Y427-C657 PolarHBondContact O-SG 2.83Å
428	E	91.2	Very high	81.2	Confident	89 Å²	89	51 Å²	51	42%	0.416	28%	0.276	S	S	.	.	S	Bend	trans	-98.3	-40.6	173.7	-175.4	-161.3	124.8	0	0	111.2	N602 Y603 C657 T658	E428-N602 HydrophobicContact CB-CB 4.23Å; E428-N602 PolarHBondContact N-O 3.12Å; E428-N602 PolarHBondContact OE2-ND2 2.88Å; E428-Y603 HydrophobicContact CB-CD1 4.47Å; E428-Y603 HydrophobicContact CB-CE1 4.23Å; E428-Y603 HydrophobicContact CG-CE1 4.49Å; E428-C657 CarbonylContact O-C 3.55Å; E428-C657 WeakPolarHBondContact O-CA 3.45Å; E428-T658 PolarHBondContact O-N 3.07Å
429	R	93.4	Very high	83.5	Confident	43 Å²	43	47.5 Å²	47.5	16%	0.162	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	129.8	-173.2	-167.9	178.8	-67.7	-97.9	0.9	112.3	F431 Y603 A604 T658 V660	R429-F431 HydrophobicContact CB-CE2 4.35Å; R429-F431 HydrophobicContact CG-CD2 4.29Å; R429-F431 HydrophobicContact CG-CE2 3.75Å; R429-F431 HydrophobicContact CG-CZ 4.05Å; R429-Y603 HydrophobicContact CB-CD1 3.6Å; R429-Y603 HydrophobicContact CB-CE1 3.64Å; R429-Y603 HydrophobicContact CB-CG 4.19Å; R429-Y603 VanDerWaalsContact O-CA 3.27Å; R429-Y603 WeakPolarHBondContact O-CA 3.43Å; R429-A604 PolarHBondContact O-N 2.96Å; R429-T658 CarbonylContact C-O 3.54Å; R429-T658 VanDerWaalsContact CA-O 3.29Å; R429-T658 WeakPolarHBondContact CA-O 3.3Å; R429-V660 HydrophobicContact CG-CG2 3.92Å
430	I	95.2	Very high	85.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127	177	-50	-60.5	0	0	0	108.4	Y427 L432 A604 V606 V649 Y653 C657 T658 Y659 V660	Y427-I430 HydrophobicContact CD1-CD1 4.07Å; Y427-I430 HydrophobicContact CG-CD1 3.92Å; I430-L432 HydrophobicContact CG2-CD2 3.81Å; I430-A604 HydrophobicContact CD1-CB 3.86Å; I430-V606 HydrophobicContact CG2-CB 4.36Å; I430-V606 HydrophobicContact CG2-CG2 3.76Å; I430-V649 HydrophobicContact CG2-CG1 4.34Å; I430-Y653 HydrophobicContact CD1-CD1 3.36Å; I430-Y653 HydrophobicContact CD1-CD2 4.44Å; I430-Y653 HydrophobicContact CD1-CE1 3.71Å; I430-Y653 HydrophobicContact CD1-CG 3.76Å; I430-Y653 HydrophobicContact CG1-CD1 4.19Å; I430-Y653 HydrophobicContact CG1-CG 4.09Å; I430-C657 HydrophobicContact CG1-CB 3.93Å; I430-T658 PolarHBondContact N-O 2.86Å; I430-Y659 HydrophobicContact CB-CD1 3.71Å; I430-Y659 HydrophobicContact CB-CE1 3.77Å; I430-Y659 HydrophobicContact CG1-CD1 4.12Å; I430-Y659 HydrophobicContact CG1-CE1 3.67Å; I430-Y659 HydrophobicContact CG2-CD1 4.16Å; I430-Y659 HydrophobicContact CG2-CE1 4.16Å; I430-Y659 WeakPolarHBondContact O-CA 3.43Å; I430-V660 PolarHBondContact O-N 3.39Å
431	F	96.6	Very high	87.3	Confident	10 Å²	10	42.2 Å²	42.2	4%	0.044	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.1	175.8	-65.7	-99.5	0	0	0	109.4	L22 R429 I597 Y603 A604 V606 V660	L22-F431 HydrophobicContact CD1-CE1 3.91Å; L22-F431 HydrophobicContact CD1-CZ 4.45Å; R429-F431 HydrophobicContact CB-CE2 4.35Å; R429-F431 HydrophobicContact CG-CD2 4.29Å; R429-F431 HydrophobicContact CG-CE2 3.75Å; R429-F431 HydrophobicContact CG-CZ 4.05Å; F431-I597 HydrophobicContact CB-CD1 4.25Å; F431-I597 HydrophobicContact CD1-CD1 3.76Å; F431-I597 HydrophobicContact CD2-CB 4.44Å; F431-I597 HydrophobicContact CD2-CD1 3.87Å; F431-I597 HydrophobicContact CD2-CG1 4.03Å; F431-I597 HydrophobicContact CD2-CG2 3.52Å; F431-I597 HydrophobicContact CE1-CD1 3.97Å; F431-I597 HydrophobicContact CE1-CG1 4.38Å; F431-I597 HydrophobicContact CE2-CB 4.47Å; F431-I597 HydrophobicContact CE2-CD1 4.08Å; F431-I597 HydrophobicContact CE2-CG1 3.86Å; F431-I597 HydrophobicContact CE2-CG2 3.8Å; F431-I597 HydrophobicContact CG-CD1 3.7Å; F431-I597 HydrophobicContact CG-CG1 4.36Å; F431-I597 HydrophobicContact CG-CG2 4.29Å; F431-I597 HydrophobicContact CZ-CD1 4.11Å; F431-I597 HydrophobicContact CZ-CG1 4.03Å; F431-Y603 AromaticContact CE2-CD2 3.76Å; F431-Y603 HydrophobicContact CE2-CD2 3.76Å; F431-Y603 HydrophobicContact CE2-CE2 4.27Å; F431-Y603 HydrophobicContact CE2-CG 4.19Å; F431-Y603 HydrophobicContact CZ-CD2 4.4Å; F431-A604 PolarHBondContact N-O 3.39Å; F431-V606 PolarHBondContact O-N 2.86Å; F431-V606 VanDerWaalsContact O-O 3.09Å; F431-V660 CarbonylContact C-O 3.39Å; F431-V660 WeakPolarHBondContact CA-O 3.33Å; F431-V660 HydrophobicContact CD1-CB 3.85Å; F431-V660 HydrophobicContact CD1-CG1 3.97Å; F431-V660 HydrophobicContact CD1-CG2 4.44Å; F431-V660 HydrophobicContact CE1-CB 4.14Å; F431-V660 HydrophobicContact CE1-CG1 4.14Å; F431-V660 HydrophobicContact CE1-CG2 4.29Å; F431-V660 HydrophobicContact CG-CB 4.45Å
432	L	97.3	Very high	89.1	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	97.9	-178.5	-53.1	178.4	0	0	0	108.2	I430 V606 F646 V649 Y659 V660 V661 V662	I430-L432 HydrophobicContact CG2-CD2 3.81Å; L432-V606 HydrophobicContact CD2-CB 4.01Å; L432-V606 HydrophobicContact CD2-CG1 4.04Å; L432-F646 HydrophobicContact CB-CE1 4.25Å; L432-F646 HydrophobicContact CD1-CD1 3.88Å; L432-F646 HydrophobicContact CD1-CE1 4.2Å; L432-F646 HydrophobicContact CD1-CG 4.15Å; L432-V649 HydrophobicContact CD2-CB 4.38Å; L432-V649 HydrophobicContact CD2-CG1 3.75Å; L432-Y659 HydrophobicContact CD1-CD1 4.07Å; L432-Y659 HydrophobicContact CD2-CD1 4.4Å; L432-Y659 HydrophobicContact CG-CD1 4.41Å; L432-V660 PolarHBondContact N-O 2.95Å; L432-V661 HydrophobicContact CB-CG2 4.13Å; L432-V661 HydrophobicContact CD1-CG2 3.85Å; L432-V661 HydrophobicContact CG-CG2 4.48Å; L432-V661 WeakPolarHBondContact O-CA 3.42Å; L432-V662 PolarHBondContact O-N 3.18Å
433	W	97.9	Very high	90.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	140.3	-175.3	-66.2	90.1	0	0	0	111.8	L22 V25 T438 C593 L594 I597 N605 V606 L607 V608 F629 V662	L22-W433 HydrophobicContact CD2-CH2 3.58Å; L22-W433 HydrophobicContact CD2-CZ2 3.88Å; V25-W433 HydrophobicContact CG1-CZ3 4.48Å; W433-T438 HydrophobicContact CE3-CG2 4.07Å; W433-C593 HydrophobicContact CH2-CB 4.16Å; W433-L594 HydrophobicContact CD2-CD2 4.01Å; W433-L594 VanDerWaalsContact CE2-CD2 3.44Å; W433-L594 HydrophobicContact CG-CD2 4.32Å; W433-L594 HydrophobicContact CH2-CD2 4.46Å; W433-L594 HydrophobicContact CZ2-CD2 3.71Å; W433-L594 HydrophobicContact CZ2-CG 4.41Å; W433-I597 HydrophobicContact CZ2-CD1 3.71Å; W433-N605 PolarHBondContact NE1-OD1 2.93Å; W433-V606 PolarHBondContact N-O 3.34Å; W433-L607 HydrophobicContact CB-CD1 4.06Å; W433-L607 WeakPolarHBondContact O-CA 3.42Å; W433-V608 PolarHBondContact O-N 3.01Å; W433-F629 HydrophobicContact CB-CE1 4.4Å; W433-F629 HydrophobicContact CB-CZ 4.19Å; W433-F629 HydrophobicContact CG-CE1 4.4Å; W433-F629 HydrophobicContact CG-CZ 4.14Å; W433-V662 WeakPolarHBondContact CA-O 3.3Å; W433-V662 HydrophobicContact CD2-CB 4.19Å; W433-V662 HydrophobicContact CD2-CG2 4.46Å; W433-V662 HydrophobicContact CE3-CB 3.81Å; W433-V662 HydrophobicContact CE3-CG1 3.78Å; W433-V662 HydrophobicContact CE3-CG2 4.42Å; W433-V662 HydrophobicContact CH2-CG1 4.32Å; W433-V662 HydrophobicContact CZ3-CB 4.11Å; W433-V662 HydrophobicContact CZ3-CG1 3.63Å
434	D	97.2	Very high	91.7	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.048	18%	0.181	C	C	.	.			trans	-77	162.9	151.3	-158.7	86.2	0	0	0	110.8	D436 T438 C439 T609 K642 V662 E668	D434-D436 PolarHBondContact OD2-N 3.14Å; D434-T438 HydrophobicContact CB-CG2 4.46Å; D434-T438 WeakPolarHBondContact O-CG2 3.48Å; D434-C439 PolarHBondContact O-SG 3.26Å; D434-C439 VanDerWaalsContact O-SG 3.35Å; D434-T609 WeakPolarHBondContact OD1-CA 3.44Å; D434-K642 WeakPolarHBondContact OD1-CE 3.36Å; D434-K642 IonicContact OD1-NZ 2.83Å; D434-K642 PolarHBondContact OD1-NZ 2.71Å; D434-V662 PolarHBondContact N-O 2.99Å; D434-E668 WeakPolarHBondContact CB-OE1 3.49Å
435	L	97.1	Very high	93.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.			trans	-92.3	-57.7	178	-179.3	59.5	0	0	0	112.8	C439 I440 L607 T609 T616 K619 L620 I625	L435-C439 HydrophobicContact CD1-CB 4.37Å; L435-C439 PolarHBondContact O-N 3.37Å; L435-I440 HydrophobicContact CD1-CD1 3.92Å; L435-I440 HydrophobicContact CD1-CG1 3.9Å; L435-I440 HydrophobicContact CD1-CG2 4.28Å; L435-I440 HydrophobicContact CG-CD1 3.99Å; L435-I440 HydrophobicContact CG-CG1 4.03Å; L435-I440 WeakPolarHBondContact O-CG1 3.26Å; L435-I440 PolarHBondContact O-N 3.37Å; L435-L607 HydrophobicContact CB-CD1 4.06Å; L435-L607 HydrophobicContact CB-CD2 4.22Å; L435-L607 HydrophobicContact CB-CG 4.45Å; L435-L607 HydrophobicContact CD1-CD1 4.46Å; L435-L607 HydrophobicContact CD1-CD2 4.31Å; L435-L607 HydrophobicContact CD2-CD2 4.43Å; L435-T609 HydrophobicContact CB-CG2 4.3Å; L435-T609 HydrophobicContact CD2-CG2 4.37Å; L435-T616 HydrophobicContact CD2-CG2 4.04Å; L435-K619 HydrophobicContact CD2-CB 4.12Å; L435-K619 HydrophobicContact CD2-CD 3.65Å; L435-L620 HydrophobicContact CD1-CD2 3.81Å; L435-L620 HydrophobicContact CD1-CG 4.47Å; L435-I625 HydrophobicContact CD1-CD1 4.43Å
436	D	94.8	Very high	94.7	Very high	22 Å²	22	26.9 Å²	26.9	12%	0.118	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-89.8	129.7	-161.8	-73.5	-71	0	0	0	109.7	D434 T438 S611 K619	D434-D436 PolarHBondContact OD2-N 3.14Å; D436-T438 PolarHBondContact O-N 3.15Å; D436-S611 PolarHBondContact OD2-OG 2.82Å; D436-K619 IonicContact OD1-NZ 3.47Å; D436-K619 PolarHBondContact OD1-NZ 3.3Å; D436-K619 IonicContact OD2-NZ 3.63Å; D436-K619 PolarHBondContact OD2-NZ 3.09Å
437	E	93.9	Very high	95.2	Very high	19 Å²	19	23 Å²	23	9%	0.089	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	-5.5	-167.1	-42.6	-42.4	142	0	0	115.9	I440 L441 F442 H443 S444 W586	E437-I440 VanDerWaalsContact CA-O 3.27Å; E437-I440 WeakPolarHBondContact CA-O 3.28Å; E437-I440 PolarHBondContact N-O 2.85Å; E437-L441 WeakPolarHBondContact OE2-CA 3.31Å; E437-L441 VanDerWaalsContact OE2-CD2 3.26Å; E437-L441 WeakPolarHBondContact OE2-CD2 3.35Å; E437-F442 PolarHBondContact OE1-N 2.8Å; E437-F442 PolarHBondContact OE2-N 3.03Å; E437-H443 WeakPolarHBondContact OE1-CA 3.32Å; E437-H443 WeakPolarHBondContact OE1-CB 3.4Å; E437-H443 PolarHBondContact OE1-N 3.1Å; E437-S444 VanDerWaalsContact CD-CB 3.47Å; E437-S444 VanDerWaalsContact CD-OG 3.29Å; E437-S444 PolarHBondContact OE1-N 2.99Å; E437-S444 WeakPolarHBondContact OE2-CB 3.47Å; E437-S444 PolarHBondContact OE2-OG 3.18Å; E437-W586 VanDerWaalsContact O-CZ2 3.23Å; E437-W586 WeakPolarHBondContact O-CZ2 3.35Å
438	T	95.3	Very high	95.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-74	172.6	-67.6	0	0	0	0	112.5	W433 D434 D436 W586 V662 G663 D664	W433-T438 HydrophobicContact CE3-CG2 4.07Å; D434-T438 HydrophobicContact CB-CG2 4.46Å; D434-T438 WeakPolarHBondContact O-CG2 3.48Å; D436-T438 PolarHBondContact O-N 3.15Å; T438-W586 PolarHBondContact O-NE1 2.9Å; T438-W586 VanDerWaalsContact O-NE1 3.11Å; T438-V662 HydrophobicContact CG2-CG1 4.45Å; T438-G663 VanDerWaalsContact OG1-CA 3.28Å; T438-G663 WeakPolarHBondContact OG1-CA 3.34Å; T438-D664 PolarHBondContact OG1-N 3.38Å; T438-D664 PolarHBondContact OG1-OD1 3.18Å
439	C	95.9	Very high	95.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-30	177.2	-76.9	0	0	0	0	113.1	D434 L435 V590 I625	D434-C439 PolarHBondContact O-SG 3.26Å; D434-C439 VanDerWaalsContact O-SG 3.35Å; L435-C439 HydrophobicContact CD1-CB 4.37Å; L435-C439 PolarHBondContact O-N 3.37Å; C439-V590 HydrophobicContact CB-CG1 4.01Å; C439-I625 HydrophobicContact CB-CD1 4.09Å
440	I	95.7	Very high	95.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-136.7	142.4	-179.2	66	169.7	0	0	0	110.2	L435 E437 F442 K619 Y623 I625	L435-I440 HydrophobicContact CD1-CD1 3.92Å; L435-I440 HydrophobicContact CD1-CG1 3.9Å; L435-I440 HydrophobicContact CD1-CG2 4.28Å; L435-I440 HydrophobicContact CG-CD1 3.99Å; L435-I440 HydrophobicContact CG-CG1 4.03Å; L435-I440 WeakPolarHBondContact O-CG1 3.26Å; L435-I440 PolarHBondContact O-N 3.37Å; E437-I440 VanDerWaalsContact CA-O 3.27Å; E437-I440 WeakPolarHBondContact CA-O 3.28Å; E437-I440 PolarHBondContact N-O 2.85Å; I440-F442 HydrophobicContact CD1-CB 4.32Å; I440-K619 HydrophobicContact CD1-CB 4.02Å; I440-K619 HydrophobicContact CD1-CD 4.07Å; I440-K619 HydrophobicContact CD1-CG 4.15Å; I440-Y623 HydrophobicContact CB-CD1 3.65Å; I440-Y623 HydrophobicContact CB-CD2 4.37Å; I440-Y623 HydrophobicContact CB-CE1 3.66Å; I440-Y623 HydrophobicContact CB-CE2 4.41Å; I440-Y623 HydrophobicContact CB-CG 4Å; I440-Y623 HydrophobicContact CD1-CD2 3.89Å; I440-Y623 HydrophobicContact CD1-CE2 3.76Å; I440-Y623 HydrophobicContact CD1-CG 4.33Å; I440-Y623 HydrophobicContact CG2-CD1 3.42Å; I440-Y623 VanDerWaalsContact CG2-CD1 3.42Å; I440-Y623 HydrophobicContact CG2-CD2 4.1Å; I440-Y623 HydrophobicContact CG2-CE1 4Å; I440-Y623 HydrophobicContact CG2-CG 3.45Å; I440-Y623 VanDerWaalsContact CG2-CG 3.45Å; I440-I625 HydrophobicContact CG2-CD1 3.79Å
441	L	95.8	Very high	95.7	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.021	9%	0.094	C	C	.	.			trans	-89.5	125.4	168	-61.8	166.2	0	0	0	108.3	E437 L445 Y450 T583 W586 Y623	E437-L441 WeakPolarHBondContact OE2-CA 3.31Å; E437-L441 VanDerWaalsContact OE2-CD2 3.26Å; E437-L441 WeakPolarHBondContact OE2-CD2 3.35Å; L441-L445 HydrophobicContact CB-CD1 4.39Å; L441-L445 HydrophobicContact CB-CD2 4.12Å; L441-L445 HydrophobicContact CB-CG 4.23Å; L441-L445 WeakPolarHBondContact O-CD1 3.37Å; L441-Y450 HydrophobicContact CD1-CD2 3.88Å; L441-Y450 HydrophobicContact CD1-CE2 3.41Å; L441-Y450 VanDerWaalsContact CD1-CE2 3.41Å; L441-Y450 HydrophobicContact CD2-CD2 3.89Å; L441-Y450 HydrophobicContact CD2-CE2 3.99Å; L441-Y450 HydrophobicContact CG-CD2 4.46Å; L441-Y450 HydrophobicContact CG-CE2 4.34Å; L441-T583 HydrophobicContact CD1-CG2 3.48Å; L441-T583 VanDerWaalsContact CD1-CG2 3.48Å; L441-W586 HydrophobicContact CD1-CB 3.7Å; L441-W586 HydrophobicContact CD1-CD2 3.77Å; L441-W586 HydrophobicContact CD1-CE3 3.98Å; L441-W586 HydrophobicContact CD1-CG 3.62Å; L441-W586 HydrophobicContact CD2-CD2 4.07Å; L441-W586 HydrophobicContact CD2-CE3 4.22Å; L441-W586 HydrophobicContact CD2-CH2 4.39Å; L441-W586 HydrophobicContact CD2-CZ2 4.27Å; L441-W586 HydrophobicContact CD2-CZ3 4.35Å; L441-W586 HydrophobicContact CG-CB 4.47Å; L441-W586 HydrophobicContact CG-CD2 3.94Å; L441-W586 HydrophobicContact CG-CE3 4.41Å; L441-W586 HydrophobicContact CG-CG 3.92Å; L441-Y623 PolarHBondContact O-OH 2.9Å
442	F	95.8	Very high	95.6	Very high	16 Å²	16	20.8 Å²	20.8	7%	0.07	12%	0.121	C	C	.	.			trans	-149.8	-63.1	-174.7	179.9	-116.3	0	0	0	114	E437 I440 S444 L445 L446 M468 E469 I472	E437-F442 PolarHBondContact OE1-N 2.8Å; E437-F442 PolarHBondContact OE2-N 3.03Å; I440-F442 HydrophobicContact CD1-CB 4.32Å; F442-S444 VanDerWaalsContact C-N 3.34Å; F442-L445 WeakPolarHBondContact O-CB 3.42Å; F442-L445 PolarHBondContact O-N 2.86Å; F442-L445 VanDerWaalsContact O-N 3.15Å; F442-L446 HydrophobicContact CD1-CD1 4.4Å; F442-L446 HydrophobicContact CE1-CD1 3.87Å; F442-L446 HydrophobicContact CE2-CD1 4.02Å; F442-L446 HydrophobicContact CE2-CG 4.49Å; F442-L446 HydrophobicContact CZ-CD1 3.65Å; F442-L446 PolarHBondContact O-N 3.32Å; F442-M468 HydrophobicContact CD2-CG 4.15Å; F442-M468 HydrophobicContact CE2-CB 4.28Å; F442-M468 HydrophobicContact CE2-CG 4.06Å; F442-E469 HydrophobicContact CE2-CB 4.11Å; F442-E469 HydrophobicContact CZ-CB 3.94Å; F442-E469 HydrophobicContact CZ-CG 4.26Å; F442-I472 HydrophobicContact CD2-CD1 4.1Å; F442-I472 HydrophobicContact CE1-CD1 4.14Å; F442-I472 HydrophobicContact CE2-CD1 3.48Å; F442-I472 VanDerWaalsContact CE2-CD1 3.48Å; F442-I472 HydrophobicContact CZ-CD1 3.5Å
443	H	93	Very high	95.4	Very high	84 Å²	84	23.5 Å²	23.5	39%	0.389	13%	0.133	S	C	.	.	H	α-helix	trans	-67.3	-35.7	177.4	-170.8	69.2	0	0	0	111.8	E437 L445 L446 T447	E437-H443 WeakPolarHBondContact OE1-CA 3.32Å; E437-H443 WeakPolarHBondContact OE1-CB 3.4Å; E437-H443 PolarHBondContact OE1-N 3.1Å; H443-L445 PolarHBondContact O-N 3.19Å; H443-L446 PolarHBondContact O-N 2.99Å; H443-T447 WeakPolarHBondContact O-CB 3.4Å; H443-T447 WeakPolarHBondContact O-CG2 3.29Å; H443-T447 PolarHBondContact O-N 3.47Å; H443-T447 PolarHBondContact O-OG1 3Å
444	S	95.3	Very high	95.2	Very high	10 Å²	10	26.3 Å²	26.3	7%	0.07	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-23	172.8	71.7	0	0	0	0	113.3	E437 F442 T447 G448 A449 Y450	E437-S444 VanDerWaalsContact CD-CB 3.47Å; E437-S444 VanDerWaalsContact CD-OG 3.29Å; E437-S444 PolarHBondContact OE1-N 2.99Å; E437-S444 WeakPolarHBondContact OE2-CB 3.47Å; E437-S444 PolarHBondContact OE2-OG 3.18Å; F442-S444 VanDerWaalsContact C-N 3.34Å; S444-T447 WeakPolarHBondContact CA-OG1 3.39Å; S444-G448 CarbonylContact O-C 3.27Å; S444-G448 PolarHBondContact O-N 3.27Å; S444-A449 PolarHBondContact O-N 3.01Å; S444-Y450 PolarHBondContact O-N 3.04Å
445	L	96.5	Very high	95	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-80.7	-49.2	174.3	-49.4	-172.6	0	0	0	110.5	L441 F442 H443 T447 G448 Y450 L461 V462 I579 T583	L441-L445 HydrophobicContact CB-CD1 4.39Å; L441-L445 HydrophobicContact CB-CD2 4.12Å; L441-L445 HydrophobicContact CB-CG 4.23Å; L441-L445 WeakPolarHBondContact O-CD1 3.37Å; F442-L445 WeakPolarHBondContact O-CB 3.42Å; F442-L445 PolarHBondContact O-N 2.86Å; F442-L445 VanDerWaalsContact O-N 3.15Å; H443-L445 PolarHBondContact O-N 3.19Å; L445-T447 VanDerWaalsContact C-N 3.3Å; L445-T447 PolarHBondContact O-N 3.46Å; L445-G448 PolarHBondContact O-N 2.68Å; L445-G448 VanDerWaalsContact O-N 3.09Å; L445-Y450 HydrophobicContact CD2-CD1 4.28Å; L445-Y450 HydrophobicContact CD2-CG 4.17Å; L445-L461 HydrophobicContact CD2-CD2 4.12Å; L445-V462 WeakPolarHBondContact O-CA 3.46Å; L445-V462 WeakPolarHBondContact O-CG2 3.34Å; L445-I579 HydrophobicContact CD1-CD1 4.08Å; L445-I579 HydrophobicContact CD1-CG1 4.04Å; L445-I579 HydrophobicContact CD1-CG2 4.11Å; L445-T583 HydrophobicContact CD2-CG2 4.2Å
446	L	96.6	Very high	94.9	Very high	33 Å²	33	35.5 Å²	35.5	17%	0.173	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-40.2	177.1	-71.6	169.9	0	0	0	112.7	F442 H443 G448 G465 L466 E469	F442-L446 HydrophobicContact CD1-CD1 4.4Å; F442-L446 HydrophobicContact CE1-CD1 3.87Å; F442-L446 HydrophobicContact CE2-CD1 4.02Å; F442-L446 HydrophobicContact CE2-CG 4.49Å; F442-L446 HydrophobicContact CZ-CD1 3.65Å; F442-L446 PolarHBondContact O-N 3.32Å; H443-L446 PolarHBondContact O-N 2.99Å; L446-G448 VanDerWaalsContact C-N 3.35Å; L446-G465 VanDerWaalsContact CD2-C 3.42Å; L446-L466 HydrophobicContact CD2-CD2 3.81Å; L446-L466 HydrophobicContact CD2-CG 4.03Å; L446-E469 HydrophobicContact CD2-CB 4.26Å
447	T	95.7	Very high	94.9	Very high	78 Å²	78	38 Å²	38	48%	0.479	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.6	178.2	54.4	0	0	0	0	113.9	H443 S444 L445 A449	H443-T447 WeakPolarHBondContact O-CB 3.4Å; H443-T447 WeakPolarHBondContact O-CG2 3.29Å; H443-T447 PolarHBondContact O-N 3.47Å; H443-T447 PolarHBondContact O-OG1 3Å; S444-T447 WeakPolarHBondContact CA-OG1 3.39Å; L445-T447 VanDerWaalsContact C-N 3.3Å; L445-T447 PolarHBondContact O-N 3.46Å; T447-A449 PolarHBondContact O-N 3.15Å; T447-A449 WeakPolarHBondContact OG1-CB 3.41Å
448	G	95.1	Very high	95	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.021	22%	0.219	C	C	.	.	S	Bend	trans	67.7	6.4	-171.5	0	0	0	0	0	114.7	S444 L445 L446 A451 T452	S444-G448 CarbonylContact O-C 3.27Å; S444-G448 PolarHBondContact O-N 3.27Å; L445-G448 PolarHBondContact O-N 2.68Å; L445-G448 VanDerWaalsContact O-N 3.09Å; L446-G448 VanDerWaalsContact C-N 3.35Å; G448-A451 PolarHBondContact O-N 2.89Å; G448-T452 WeakPolarHBondContact O-CB 3.37Å; G448-T452 PolarHBondContact O-N 3.43Å; G448-T452 PolarHBondContact O-OG1 3.29Å
449	A	95.1	Very high	95	Very high	50 Å²	50	44.3 Å²	44.3	41%	0.413	25%	0.249	S	C	.	.	H	α-helix	trans	-62	-45.1	-178.2	0	0	0	0	0	112	S444 T447 A451 T452 K453	S444-A449 PolarHBondContact O-N 3.01Å; T447-A449 PolarHBondContact O-N 3.15Å; T447-A449 WeakPolarHBondContact OG1-CB 3.41Å; A449-A451 PolarHBondContact O-N 2.86Å; A449-T452 PolarHBondContact O-N 2.96Å; A449-K453 VanDerWaalsContact O-CB 3.25Å; A449-K453 WeakPolarHBondContact O-CB 3.45Å; A449-K453 PolarHBondContact O-N 3.01Å
450	Y	94.4	Very high	95	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-46.5	176.1	-174.6	-85.7	0	0	0	111.4	L441 S444 L445 T452 K453 F454 K456 L461 T583	L441-Y450 HydrophobicContact CD1-CD2 3.88Å; L441-Y450 HydrophobicContact CD1-CE2 3.41Å; L441-Y450 VanDerWaalsContact CD1-CE2 3.41Å; L441-Y450 HydrophobicContact CD2-CD2 3.89Å; L441-Y450 HydrophobicContact CD2-CE2 3.99Å; L441-Y450 HydrophobicContact CG-CD2 4.46Å; L441-Y450 HydrophobicContact CG-CE2 4.34Å; S444-Y450 PolarHBondContact O-N 3.04Å; L445-Y450 HydrophobicContact CD2-CD1 4.28Å; L445-Y450 HydrophobicContact CD2-CG 4.17Å; Y450-T452 VanDerWaalsContact C-N 3.32Å; Y450-T452 PolarHBondContact O-N 3.41Å; Y450-K453 PolarHBondContact O-N 3.48Å; Y450-F454 HydrophobicContact CD1-CD2 4Å; Y450-F454 AromaticContact CD2-CD2 3.54Å; Y450-F454 HydrophobicContact CD2-CD2 3.54Å; Y450-F454 AromaticContact CD2-CE2 3.55Å; Y450-F454 HydrophobicContact CD2-CE2 3.55Å; Y450-F454 HydrophobicContact CE1-CB 4.31Å; Y450-F454 AromaticContact CE1-CD2 3.87Å; Y450-F454 HydrophobicContact CE1-CD2 3.87Å; Y450-F454 HydrophobicContact CE1-CG 4.37Å; Y450-F454 AromaticContact CE2-CD2 3.38Å; Y450-F454 HydrophobicContact CE2-CD2 3.38Å; Y450-F454 AromaticContact CE2-CE2 3.34Å; Y450-F454 HydrophobicContact CE2-CE2 3.34Å; Y450-F454 HydrophobicContact CE2-CG 4.38Å; Y450-F454 HydrophobicContact CE2-CZ 4.3Å; Y450-F454 AromaticContact CG-CD2 3.84Å; Y450-F454 HydrophobicContact CG-CD2 3.84Å; Y450-F454 HydrophobicContact CG-CE2 4.29Å; Y450-F454 AromaticContact CZ-CD2 3.55Å; Y450-F454 AromaticContact CZ-CE2 3.94Å; Y450-F454 WeakPolarHBondContact O-CD2 3.18Å; Y450-F454 PolarHBondContact O-N 3.18Å; Y450-K456 HydrophobicContact CE1-CG 4.36Å; Y450-L461 HydrophobicContact CD1-CD1 3.9Å; Y450-L461 HydrophobicContact CE1-CD1 4.47Å; Y450-T583 HydrophobicContact CD1-CG2 4.37Å; Y450-T583 HydrophobicContact CE1-CG2 3.87Å; Y450-T583 WeakPolarHBondContact OH-CA 3.25Å; Y450-T583 PolarHBondContact OH-O 2.84Å
451	A	95	Very high	95	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-43.4	-179.1	0	0	0	0	0	111.8	G448 A449 N455 K456 V458 L461	G448-A451 PolarHBondContact O-N 2.89Å; A449-A451 PolarHBondContact O-N 2.86Å; A451-N455 PolarHBondContact O-N 2.93Å; A451-N455 VanDerWaalsContact O-N 3.13Å; A451-K456 HydrophobicContact CB-CB 4.36Å; A451-K456 PolarHBondContact O-N 3.11Å; A451-V458 HydrophobicContact CB-CB 4.18Å; A451-V458 HydrophobicContact CB-CG2 3.86Å; A451-L461 HydrophobicContact CB-CB 4.16Å; A451-L461 HydrophobicContact CB-CD1 3.7Å
452	T	94.5	Very high	95	Very high	99 Å²	99	47.9 Å²	47.9	61%	0.607	27%	0.271	S	S	*	.	H	α-helix	trans	-65.3	-41.2	176.2	-52.5	0	0	0	0	111.8	G448 A449 Y450	G448-T452 WeakPolarHBondContact O-CB 3.37Å; G448-T452 PolarHBondContact O-N 3.43Å; G448-T452 PolarHBondContact O-OG1 3.29Å; A449-T452 PolarHBondContact O-N 2.96Å; Y450-T452 VanDerWaalsContact C-N 3.32Å; Y450-T452 PolarHBondContact O-N 3.41Å
453	K	93	Very high	95.1	Very high	60 Å²	60	49.8 Å²	49.8	26%	0.261	29%	0.286	S	S	.	.	H	α-helix	trans	-71.9	-35.3	-177.4	-179.3	168.9	179.8	132.9	0	113.9	V31 E32 S35 A449 Y450	V31-K453 WeakPolarHBondContact O-CE 3.36Å; V31-K453 PolarHBondContact O-NZ 3.03Å; E32-K453 PolarHBondContact O-NZ 3.3Å; S35-K453 PolarHBondContact OG-NZ 2.95Å; A449-K453 VanDerWaalsContact O-CB 3.25Å; A449-K453 WeakPolarHBondContact O-CB 3.45Å; A449-K453 PolarHBondContact O-N 3.01Å; Y450-K453 PolarHBondContact O-N 3.48Å
454	F	92.6	Very high	95.3	Very high	60 Å²	60	45.8 Å²	45.8	26%	0.263	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	19.3	-176.8	-63.6	-75.9	0	0	0	113.4	V31 Y450 K456	V31-F454 HydrophobicContact CG1-CE1 4.11Å; V31-F454 HydrophobicContact CG1-CZ 4.32Å; Y450-F454 HydrophobicContact CD1-CD2 4Å; Y450-F454 AromaticContact CD2-CD2 3.54Å; Y450-F454 HydrophobicContact CD2-CD2 3.54Å; Y450-F454 AromaticContact CD2-CE2 3.55Å; Y450-F454 HydrophobicContact CD2-CE2 3.55Å; Y450-F454 HydrophobicContact CE1-CB 4.31Å; Y450-F454 AromaticContact CE1-CD2 3.87Å; Y450-F454 HydrophobicContact CE1-CD2 3.87Å; Y450-F454 HydrophobicContact CE1-CG 4.37Å; Y450-F454 AromaticContact CE2-CD2 3.38Å; Y450-F454 HydrophobicContact CE2-CD2 3.38Å; Y450-F454 AromaticContact CE2-CE2 3.34Å; Y450-F454 HydrophobicContact CE2-CE2 3.34Å; Y450-F454 HydrophobicContact CE2-CG 4.38Å; Y450-F454 HydrophobicContact CE2-CZ 4.3Å; Y450-F454 AromaticContact CG-CD2 3.84Å; Y450-F454 HydrophobicContact CG-CD2 3.84Å; Y450-F454 HydrophobicContact CG-CE2 4.29Å; Y450-F454 AromaticContact CZ-CD2 3.55Å; Y450-F454 AromaticContact CZ-CE2 3.94Å; Y450-F454 WeakPolarHBondContact O-CD2 3.18Å; Y450-F454 PolarHBondContact O-N 3.18Å; F454-K456 VanDerWaalsContact C-N 3.26Å; F454-K456 HydrophobicContact CB-CG 4.15Å; F454-K456 WeakPolarHBondContact O-CE 3.32Å; F454-K456 PolarHBondContact O-N 2.73Å
455	N	94.5	Very high	95.4	Very high	152 Å²	152	45.3 Å²	45.3	81%	0.813	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	41.2	178.3	-65.9	52.7	0	0	0	114	A451	A451-N455 PolarHBondContact O-N 2.93Å; A451-N455 VanDerWaalsContact O-N 3.13Å
456	K	94.8	Very high	95.4	Very high	51 Å²	51	49.7 Å²	49.7	22%	0.222	29%	0.287	C	S	.	.			trans	-93.8	169.3	175.4	-47.2	-65.1	-179.4	175	0	110.4	Y450 A451 F454 V458 L461 Y582 D584	Y450-K456 HydrophobicContact CE1-CG 4.36Å; A451-K456 HydrophobicContact CB-CB 4.36Å; A451-K456 PolarHBondContact O-N 3.11Å; F454-K456 VanDerWaalsContact C-N 3.26Å; F454-K456 HydrophobicContact CB-CG 4.15Å; F454-K456 WeakPolarHBondContact O-CE 3.32Å; F454-K456 PolarHBondContact O-N 2.73Å; K456-V458 PolarHBondContact O-N 3.49Å; K456-L461 HydrophobicContact CB-CD1 3.76Å; K456-L461 HydrophobicContact CG-CD1 4.14Å; K456-Y582 WeakPolarHBondContact CD-O 3.41Å; K456-Y582 VanDerWaalsContact CE-O 3.28Å; K456-Y582 WeakPolarHBondContact CE-O 3.38Å; K456-D584 IonicContact NZ-OD1 2.73Å; K456-D584 PolarHBondContact NZ-OD1 3.11Å; K456-D584 IonicContact NZ-OD2 2.71Å; K456-D584 PolarHBondContact NZ-OD2 2.87Å
457	D	94.6	Very high	95.5	Very high	74 Å²	74	51.2 Å²	51.2	40%	0.396	29%	0.291	S	S	.	.			trans	-68.7	116.9	171	175.9	39.5	0	0	0	111.5	S459 T460 L461	D457-S459 VanDerWaalsContact C-N 3.34Å; D457-S459 PolarHBondContact OD1-N 2.82Å; D457-S459 VanDerWaalsContact OD1-N 3.12Å; D457-T460 WeakPolarHBondContact OD2-CB 3.26Å; D457-T460 PolarHBondContact OD2-N 3.49Å; D457-T460 PolarHBondContact OD2-OG1 2.87Å; D457-L461 PolarHBondContact O-N 2.63Å
458	V	95.4	Very high	95.6	Very high	63 Å²	63	47.5 Å²	47.5	38%	0.382	27%	0.268	S	S	.	.	H	α-helix	trans	-65	-38.7	178.4	-173.8	0	0	0	0	111	A451 K456 V462	A451-V458 HydrophobicContact CB-CB 4.18Å; A451-V458 HydrophobicContact CB-CG2 3.86Å; K456-V458 PolarHBondContact O-N 3.49Å; V458-V462 HydrophobicContact CG1-CG2 4.01Å; V458-V462 WeakPolarHBondContact O-CB 3.49Å; V458-V462 VanDerWaalsContact O-CG2 3.25Å; V458-V462 WeakPolarHBondContact O-CG2 3.07Å; V458-V462 PolarHBondContact O-N 2.98Å
459	S	96.1	Very high	95.7	Very high	88 Å²	88	49.7 Å²	49.7	62%	0.615	28%	0.277	S	S	*	.	H	α-helix	trans	-64.3	-48.7	-175.4	-172.2	0	0	0	0	111.7	D457 S463	D457-S459 VanDerWaalsContact C-N 3.34Å; D457-S459 PolarHBondContact OD1-N 2.82Å; D457-S459 VanDerWaalsContact OD1-N 3.12Å; S459-S463 WeakPolarHBondContact O-CB 3.4Å; S459-S463 PolarHBondContact O-N 3.39Å
460	T	95.2	Very high	95.8	Very high	42 Å²	42	51.7 Å²	51.7	26%	0.258	28%	0.278	S	S	.	.	H	α-helix	trans	-69.3	-39	-179.8	-56.5	0	0	0	0	112.1	D457 S463 A464 Y582	D457-T460 WeakPolarHBondContact OD2-CB 3.26Å; D457-T460 PolarHBondContact OD2-N 3.49Å; D457-T460 PolarHBondContact OD2-OG1 2.87Å; T460-S463 PolarHBondContact O-N 3.37Å; T460-A464 WeakPolarHBondContact O-CB 3.49Å; T460-A464 PolarHBondContact O-N 3.12Å; T460-Y582 HydrophobicContact CG2-CD2 4.05Å; T460-Y582 HydrophobicContact CG2-CE2 3.38Å
461	L	95.4	Very high	96	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-71.2	-41.3	178.8	-85.6	179.9	0	0	0	113.4	L445 Y450 A451 K456 D457 S463 A464 G465 Y582	L445-L461 HydrophobicContact CD2-CD2 4.12Å; Y450-L461 HydrophobicContact CD1-CD1 3.9Å; Y450-L461 HydrophobicContact CE1-CD1 4.47Å; A451-L461 HydrophobicContact CB-CB 4.16Å; A451-L461 HydrophobicContact CB-CD1 3.7Å; K456-L461 HydrophobicContact CB-CD1 3.76Å; K456-L461 HydrophobicContact CG-CD1 4.14Å; D457-L461 PolarHBondContact O-N 2.63Å; L461-S463 VanDerWaalsContact C-N 3.33Å; L461-A464 PolarHBondContact O-N 3.24Å; L461-G465 PolarHBondContact O-N 3.47Å; L461-Y582 VanDerWaalsContact CD2-CB 3.46Å; L461-Y582 HydrophobicContact CD2-CG 4.21Å; L461-Y582 HydrophobicContact CG-CG 4.28Å
462	V	97.2	Very high	96.1	Very high	38 Å²	38	51.7 Å²	51.7	23%	0.23	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-41.9	172.8	173.3	0	0	0	0	110.2	L445 V458 A464 G465 L466	L445-V462 WeakPolarHBondContact O-CA 3.46Å; L445-V462 WeakPolarHBondContact O-CG2 3.34Å; V458-V462 HydrophobicContact CG1-CG2 4.01Å; V458-V462 WeakPolarHBondContact O-CB 3.49Å; V458-V462 VanDerWaalsContact O-CG2 3.25Å; V458-V462 WeakPolarHBondContact O-CG2 3.07Å; V458-V462 PolarHBondContact O-N 2.98Å; V462-A464 VanDerWaalsContact C-N 3.33Å; V462-A464 PolarHBondContact O-N 3.29Å; V462-G465 PolarHBondContact O-N 3.39Å; V462-L466 HydrophobicContact CG1-CD1 3.9Å; V462-L466 HydrophobicContact CG1-CG 4.37Å; V462-L466 WeakPolarHBondContact O-CG 3.13Å; V462-L466 PolarHBondContact O-N 3.36Å
463	S	97.4	Very high	96.1	Very high	55 Å²	55	50.7 Å²	50.7	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-36	173.7	176	0	0	0	0	113.3	S459 T460 L461 R467	S459-S463 WeakPolarHBondContact O-CB 3.4Å; S459-S463 PolarHBondContact O-N 3.39Å; T460-S463 PolarHBondContact O-N 3.37Å; L461-S463 VanDerWaalsContact C-N 3.33Å; S463-R467 WeakPolarHBondContact O-CB 3.46Å; S463-R467 VanDerWaalsContact O-CG 3.24Å; S463-R467 WeakPolarHBondContact O-CG 3.4Å; S463-R467 PolarHBondContact O-N 3.13Å; S463-R467 PolarHBondContact O-NE 3.11Å
464	A	96.8	Very high	96.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70.4	-41.4	173.2	0	0	0	0	0	112.2	T460 L461 V462 R467 M468 I575 D578 I579	T460-A464 WeakPolarHBondContact O-CB 3.49Å; T460-A464 PolarHBondContact O-N 3.12Å; L461-A464 PolarHBondContact O-N 3.24Å; V462-A464 VanDerWaalsContact C-N 3.33Å; V462-A464 PolarHBondContact O-N 3.29Å; A464-R467 PolarHBondContact O-N 2.96Å; A464-M468 PolarHBondContact O-N 3.03Å; A464-I575 WeakPolarHBondContact O-CG2 3.45Å; A464-D578 HydrophobicContact CB-CB 4.38Å; A464-I579 HydrophobicContact CB-CG1 3.95Å
465	G	97.3	Very high	96.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-52.1	174.6	0	0	0	0	0	112.5	L446 L461 V462 R467 M468 E469	L446-G465 VanDerWaalsContact CD2-C 3.42Å; L461-G465 PolarHBondContact O-N 3.47Å; V462-G465 PolarHBondContact O-N 3.39Å; G465-R467 VanDerWaalsContact C-N 3.33Å; G465-R467 PolarHBondContact O-N 2.9Å; G465-M468 WeakPolarHBondContact O-CB 3.5Å; G465-M468 PolarHBondContact O-N 2.84Å; G465-E469 PolarHBondContact O-N 3.47Å
466	L	97.8	Very high	96.6	Very high	94 Å²	94	41.4 Å²	41.4	49%	0.492	22%	0.216	S	C	.	.	H	α-helix	trans	-61.4	-38.5	179.5	-70.2	167.7	0	0	0	112.4	L446 V462 E469 E470	L446-L466 HydrophobicContact CD2-CD2 3.81Å; L446-L466 HydrophobicContact CD2-CG 4.03Å; V462-L466 HydrophobicContact CG1-CD1 3.9Å; V462-L466 HydrophobicContact CG1-CG 4.37Å; V462-L466 WeakPolarHBondContact O-CG 3.13Å; V462-L466 PolarHBondContact O-N 3.36Å; L466-E469 PolarHBondContact O-N 2.73Å; L466-E470 PolarHBondContact O-N 3.47Å
467	R	97.7	Very high	96.6	Very high	64 Å²	64	41.8 Å²	41.8	24%	0.242	22%	0.221	C	C	.	.	H	α-helix	trans	-69	-31	174.4	-73.9	-179.5	-68.1	141.8	-1.7	112.9	S463 A464 G465 L471 I575 D578	S463-R467 WeakPolarHBondContact O-CB 3.46Å; S463-R467 VanDerWaalsContact O-CG 3.24Å; S463-R467 WeakPolarHBondContact O-CG 3.4Å; S463-R467 PolarHBondContact O-N 3.13Å; S463-R467 PolarHBondContact O-NE 3.11Å; A464-R467 PolarHBondContact O-N 2.96Å; G465-R467 VanDerWaalsContact C-N 3.33Å; G465-R467 PolarHBondContact O-N 2.9Å; R467-L471 PolarHBondContact O-N 3.46Å; R467-I575 HydrophobicContact CB-CD1 3.63Å; R467-I575 HydrophobicContact CB-CG1 3.73Å; R467-I575 HydrophobicContact CB-CG2 4.47Å; R467-I575 WeakPolarHBondContact O-CD1 3.48Å; R467-D578 IonicContact CZ-OD2 3.24Å; R467-D578 VanDerWaalsContact CZ-OD2 3.24Å; R467-D578 IonicContact NH1-OD2 2.77Å; R467-D578 PolarHBondContact NH1-OD2 3.24Å; R467-D578 IonicContact NH2-OD2 2.76Å; R467-D578 PolarHBondContact NH2-OD2 2.67Å
468	M	97.8	Very high	96.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-71.5	-41.7	172.2	-177.9	59.8	74.7	0	0	111.2	F442 A464 G465 E470 L471 I472 I575 R576 I579 L622 Y623	F442-M468 HydrophobicContact CD2-CG 4.15Å; F442-M468 HydrophobicContact CE2-CB 4.28Å; F442-M468 HydrophobicContact CE2-CG 4.06Å; A464-M468 PolarHBondContact O-N 3.03Å; G465-M468 WeakPolarHBondContact O-CB 3.5Å; G465-M468 PolarHBondContact O-N 2.84Å; M468-E470 PolarHBondContact O-N 3.18Å; M468-L471 PolarHBondContact O-N 3.32Å; M468-L471 VanDerWaalsContact O-N 3.11Å; M468-I472 HydrophobicContact CG-CD1 3.93Å; M468-I472 HydrophobicContact CG-CG1 4.47Å; M468-I472 WeakPolarHBondContact O-CG1 3.14Å; M468-I472 PolarHBondContact O-N 2.91Å; M468-I575 HydrophobicContact CB-CG2 4.05Å; M468-I575 HydrophobicContact CE-CG2 3.94Å; M468-R576 HydrophobicContact CE-CG 3.98Å; M468-I579 HydrophobicContact CB-CD1 4.4Å; M468-I579 HydrophobicContact CE-CD1 3.9Å; M468-L622 HydrophobicContact SD-CB 3.87Å; M468-L622 HydrophobicContact SD-CD1 4.28Å; M468-Y623 HydrophobicContact CE-CD2 4.44Å; M468-Y623 HydrophobicContact CE-CE2 3.99Å; M468-Y623 HydrophobicContact CG-CE2 3.78Å; M468-Y623 HydrophobicContact SD-CD2 4.4Å; M468-Y623 HydrophobicContact SD-CE2 3.88Å
469	E	97.7	Very high	96.6	Very high	48 Å²	48	40.5 Å²	40.5	22%	0.224	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-44.2	175.7	-176.5	171.6	-121.2	0	0	112	F442 L446 G465 L466 L471 I472 F473	F442-E469 HydrophobicContact CE2-CB 4.11Å; F442-E469 HydrophobicContact CZ-CB 3.94Å; F442-E469 HydrophobicContact CZ-CG 4.26Å; L446-E469 HydrophobicContact CD2-CB 4.26Å; G465-E469 PolarHBondContact O-N 3.47Å; L466-E469 PolarHBondContact O-N 2.73Å; E469-L471 VanDerWaalsContact C-N 3.27Å; E469-L471 PolarHBondContact O-N 3.3Å; E469-I472 PolarHBondContact O-N 3.14Å; E469-F473 HydrophobicContact CG-CD2 3.71Å; E469-F473 HydrophobicContact CG-CE2 3.51Å; E469-F473 WeakPolarHBondContact O-CD2 3.44Å; E469-F473 PolarHBondContact O-N 2.94Å
470	E	97.1	Very high	96.5	Very high	92 Å²	92	36.3 Å²	36.3	43%	0.43	18%	0.184	S	C	.	.	H	α-helix	trans	-54	-42.5	172.5	-165.9	-136.6	138.6	0	0	112	L466 M468 Y474 K568 Q571	L466-E470 PolarHBondContact O-N 3.47Å; M468-E470 PolarHBondContact O-N 3.18Å; E470-Y474 WeakPolarHBondContact O-CB 3.33Å; E470-Y474 PolarHBondContact O-N 3.43Å; E470-K568 IonicContact OE1-NZ 2.63Å; E470-K568 PolarHBondContact OE1-NZ 3Å; E470-Q571 PolarHBondContact OE2-NE2 2.75Å
471	L	97.3	Very high	96.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-73.6	-35.6	178.8	-68.7	-179.3	0	0	0	113.1	R467 M468 E469 Y474 I475 L564 K568 W572 I575 L622	R467-L471 PolarHBondContact O-N 3.46Å; M468-L471 PolarHBondContact O-N 3.32Å; M468-L471 VanDerWaalsContact O-N 3.11Å; E469-L471 VanDerWaalsContact C-N 3.27Å; E469-L471 PolarHBondContact O-N 3.3Å; L471-Y474 PolarHBondContact O-N 2.78Å; L471-I475 PolarHBondContact O-N 2.61Å; L471-L564 HydrophobicContact CD2-CD2 4.41Å; L471-K568 HydrophobicContact CD2-CB 4.32Å; L471-K568 HydrophobicContact CD2-CD 3.99Å; L471-K568 HydrophobicContact CD2-CG 4.31Å; L471-W572 HydrophobicContact CD1-CB 3.75Å; L471-W572 HydrophobicContact CD1-CG 4.34Å; L471-I575 HydrophobicContact CD1-CD1 3.53Å; L471-I575 HydrophobicContact CG-CD1 4.29Å; L471-L622 VanDerWaalsContact C-CD1 3.48Å; L471-L622 HydrophobicContact CB-CD1 3.82Å; L471-L622 HydrophobicContact CB-CD2 4.04Å; L471-L622 HydrophobicContact CD1-CD2 4.3Å
472	I	97.4	Very high	96.3	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-55.3	176	-70.9	161.8	0	0	0	109.3	F442 M468 E469 Y474 I475 S476 P615 A618 K619 L622	F442-I472 HydrophobicContact CD2-CD1 4.1Å; F442-I472 HydrophobicContact CE1-CD1 4.14Å; F442-I472 HydrophobicContact CE2-CD1 3.48Å; F442-I472 VanDerWaalsContact CE2-CD1 3.48Å; F442-I472 HydrophobicContact CZ-CD1 3.5Å; M468-I472 HydrophobicContact CG-CD1 3.93Å; M468-I472 HydrophobicContact CG-CG1 4.47Å; M468-I472 WeakPolarHBondContact O-CG1 3.14Å; M468-I472 PolarHBondContact O-N 2.91Å; E469-I472 PolarHBondContact O-N 3.14Å; I472-Y474 VanDerWaalsContact C-N 3.34Å; I472-Y474 PolarHBondContact O-N 2.82Å; I472-I475 PolarHBondContact O-N 3.14Å; I472-S476 WeakPolarHBondContact O-CB 3.49Å; I472-S476 PolarHBondContact O-N 3.33Å; I472-S476 PolarHBondContact O-OG 2.78Å; I472-P615 HydrophobicContact CG2-CB 4.34Å; I472-A618 HydrophobicContact CG2-CB 4.15Å; I472-K619 HydrophobicContact CD1-CG 3.73Å; I472-K619 HydrophobicContact CG1-CG 4.16Å; I472-K619 HydrophobicContact CG2-CG 4.37Å; I472-L622 HydrophobicContact CB-CD1 4.24Å; I472-L622 HydrophobicContact CG1-CD1 3.59Å
473	F	96.2	Very high	96	Very high	79 Å²	79	41.5 Å²	41.5	35%	0.346	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-39.8	178	-73.2	-62.7	0	0	0	112.1	E469 I475 S476 D477 F482	E469-F473 HydrophobicContact CG-CD2 3.71Å; E469-F473 HydrophobicContact CG-CE2 3.51Å; E469-F473 WeakPolarHBondContact O-CD2 3.44Å; E469-F473 PolarHBondContact O-N 2.94Å; F473-I475 PolarHBondContact O-N 2.86Å; F473-S476 PolarHBondContact O-N 3.09Å; F473-D477 WeakPolarHBondContact O-CB 3.41Å; F473-D477 PolarHBondContact O-N 2.76Å; F473-F482 HydrophobicContact CD1-CE1 4.3Å; F473-F482 HydrophobicContact CE1-CE1 4.13Å
474	Y	96.3	Very high	95.6	Very high	76 Å²	76	44 Å²	44	30%	0.298	21%	0.211	S	C	.	.	H	α-helix	trans	-55.9	-45.3	175.1	175	-100.4	0	0	0	112.8	E470 L471 I472 T478 L564 K568	E470-Y474 WeakPolarHBondContact O-CB 3.33Å; E470-Y474 PolarHBondContact O-N 3.43Å; L471-Y474 PolarHBondContact O-N 2.78Å; I472-Y474 VanDerWaalsContact C-N 3.34Å; I472-Y474 PolarHBondContact O-N 2.82Å; Y474-T478 HydrophobicContact CE2-CG2 4.44Å; Y474-T478 WeakPolarHBondContact CE2-OG1 3.24Å; Y474-T478 WeakPolarHBondContact O-CB 3.26Å; Y474-T478 PolarHBondContact O-N 3Å; Y474-T478 PolarHBondContact O-OG1 2.75Å; Y474-L564 HydrophobicContact CD1-CD2 4.11Å; Y474-L564 HydrophobicContact CE1-CD2 4.19Å; Y474-K568 HydrophobicContact CD1-CD 3.66Å; Y474-K568 HydrophobicContact CD2-CD 4.28Å; Y474-K568 HydrophobicContact CE1-CD 3.53Å; Y474-K568 HydrophobicContact CE2-CD 4.17Å; Y474-K568 HydrophobicContact CG-CD 4.04Å
475	I	96.5	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.1	-46.2	176.2	-69.8	-177.6	0	0	0	111.1	L471 I472 F473 D477 H479 F480 V560 L563 L564 A618 L622	L471-I475 PolarHBondContact O-N 2.61Å; I472-I475 PolarHBondContact O-N 3.14Å; F473-I475 PolarHBondContact O-N 2.86Å; I475-D477 VanDerWaalsContact C-N 3.31Å; I475-D477 PolarHBondContact O-N 2.84Å; I475-H479 WeakPolarHBondContact O-CB 3.18Å; I475-H479 PolarHBondContact O-N 2.92Å; I475-F480 HydrophobicContact CG2-CD2 3.94Å; I475-F480 HydrophobicContact CG2-CE2 3.63Å; I475-F480 HydrophobicContact CG2-CZ 4.17Å; I475-F480 PolarHBondContact O-N 2.85Å; I475-V560 HydrophobicContact CD1-CG1 4.3Å; I475-L563 HydrophobicContact CD1-CD2 4.36Å; I475-L563 HydrophobicContact CG2-CD2 4.12Å; I475-L564 HydrophobicContact CD1-CD2 3.82Å; I475-L564 HydrophobicContact CD1-CG 4.31Å; I475-L564 HydrophobicContact CG1-CD2 3.87Å; I475-A618 HydrophobicContact CB-CB 4.04Å; I475-A618 HydrophobicContact CG2-CB 3.87Å; I475-L622 HydrophobicContact CD1-CD1 3.98Å; I475-L622 HydrophobicContact CD1-CD2 3.79Å; I475-L622 HydrophobicContact CD1-CG 3.76Å
476	S	96.7	Very high	94.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-43.4	-178.8	-71.1	0	0	0	0	112.3	I472 F473 F480 F481 F482	I472-S476 WeakPolarHBondContact O-CB 3.49Å; I472-S476 PolarHBondContact O-N 3.33Å; I472-S476 PolarHBondContact O-OG 2.78Å; F473-S476 PolarHBondContact O-N 3.09Å; S476-F480 CarbonylContact O-C 3.53Å; S476-F480 WeakPolarHBondContact O-CA 3.46Å; S476-F480 WeakPolarHBondContact O-CB 3.27Å; S476-F480 PolarHBondContact O-N 3.49Å; S476-F481 PolarHBondContact O-N 2.83Å; S476-F481 VanDerWaalsContact O-N 3.07Å; S476-F482 VanDerWaalsContact O-CB 3.29Å; S476-F482 WeakPolarHBondContact O-CB 3.35Å; S476-F482 PolarHBondContact O-N 2.69Å
477	D	95.2	Very high	94	Very high	59 Å²	59	49.1 Å²	49.1	32%	0.316	24%	0.235	S	C	.	.	H	α-helix	trans	-78	-51.3	178	-77.6	-15.4	0	0	0	113	F473 I475 H479 F482 N483	F473-D477 WeakPolarHBondContact O-CB 3.41Å; F473-D477 PolarHBondContact O-N 2.76Å; I475-D477 VanDerWaalsContact C-N 3.31Å; I475-D477 PolarHBondContact O-N 2.84Å; D477-H479 VanDerWaalsContact C-N 3.34Å; D477-H479 PolarHBondContact O-N 2.9Å; D477-F482 WeakPolarHBondContact OD1-CB 3.38Å; D477-N483 PolarHBondContact OD1-N 2.96Å; D477-N483 PolarHBondContact OD1-ND2 3.37Å; D477-N483 PolarHBondContact OD2-ND2 2.66Å
478	T	94.9	Very high	93.3	Very high	73 Å²	73	47.2 Å²	47.2	45%	0.448	23%	0.232	S	C	.	.	H	α-helix	trans	-70.2	-30.5	-171	-49.2	0	0	0	0	112.6	Y474	Y474-T478 HydrophobicContact CE2-CG2 4.44Å; Y474-T478 WeakPolarHBondContact CE2-OG1 3.24Å; Y474-T478 WeakPolarHBondContact O-CB 3.26Å; Y474-T478 PolarHBondContact O-N 3Å; Y474-T478 PolarHBondContact O-OG1 2.75Å
479	H	94	Very high	92.5	Very high	38 Å²	38	48.5 Å²	48.5	18%	0.176	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-29.6	-171	-55	-57.2	0	0	0	114.4	I475 D477 L552 L563	I475-H479 WeakPolarHBondContact O-CB 3.18Å; I475-H479 PolarHBondContact O-N 2.92Å; D477-H479 VanDerWaalsContact C-N 3.34Å; D477-H479 PolarHBondContact O-N 2.9Å; H479-L552 WeakPolarHBondContact O-CD1 3.49Å; H479-L563 HydrophobicContact CB-CD1 4.08Å; H479-L563 PolarHBondContact NE2-O 2.91Å
480	F	94.9	Very high	92.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	10.8	-178.1	-57.1	-32.4	0	0	0	114.7	I475 S476 F482 I549 L552 I614 A618 L621	I475-F480 HydrophobicContact CG2-CD2 3.94Å; I475-F480 HydrophobicContact CG2-CE2 3.63Å; I475-F480 HydrophobicContact CG2-CZ 4.17Å; I475-F480 PolarHBondContact O-N 2.85Å; S476-F480 CarbonylContact O-C 3.53Å; S476-F480 WeakPolarHBondContact O-CA 3.46Å; S476-F480 WeakPolarHBondContact O-CB 3.27Å; S476-F480 PolarHBondContact O-N 3.49Å; F480-F482 VanDerWaalsContact C-N 3.25Å; F480-F482 PolarHBondContact O-N 2.67Å; F480-I549 HydrophobicContact CB-CD1 4.16Å; F480-I549 HydrophobicContact CB-CG1 3.96Å; F480-I549 HydrophobicContact CD1-CB 4.27Å; F480-I549 HydrophobicContact CD1-CG1 3.93Å; F480-I549 HydrophobicContact CD1-CG2 3.98Å; F480-I549 HydrophobicContact CE1-CG2 4.28Å; F480-I549 HydrophobicContact CG-CG1 4.24Å; F480-I549 HydrophobicContact CG-CG2 4.3Å; F480-I549 WeakPolarHBondContact O-CD1 3.44Å; F480-L552 HydrophobicContact CD1-CD1 4.28Å; F480-L552 HydrophobicContact CE1-CB 3.82Å; F480-L552 HydrophobicContact CE1-CD1 4.32Å; F480-I614 HydrophobicContact CB-CG2 3.55Å; F480-I614 HydrophobicContact CD2-CG2 4.36Å; F480-I614 HydrophobicContact CG-CG2 4.44Å; F480-A618 HydrophobicContact CE2-CB 4.4Å; F480-L621 HydrophobicContact CE2-CD1 3.9Å; F480-L621 HydrophobicContact CZ-CD1 3.54Å
481	F	93.1	Very high	91.8	Very high	46 Å²	46	44.4 Å²	44.4	20%	0.202	22%	0.221	C	C	.	.			trans	57.5	33.3	171.6	-36.4	-73.3	0	0	0	113.9	S476 N483 E484 L485 R545 R548 I549	S476-F481 PolarHBondContact O-N 2.83Å; S476-F481 VanDerWaalsContact O-N 3.07Å; F481-N483 PolarHBondContact O-N 3.24Å; F481-E484 HydrophobicContact CB-CB 4.33Å; F481-E484 WeakPolarHBondContact O-CA 3.36Å; F481-E484 WeakPolarHBondContact O-CB 3.27Å; F481-E484 PolarHBondContact O-N 2.9Å; F481-L485 HydrophobicContact CB-CD1 4.28Å; F481-L485 HydrophobicContact CB-CG 4.49Å; F481-L485 PolarHBondContact O-N 3.43Å; F481-R545 HydrophobicContact CD2-CB 3.84Å; F481-R545 HydrophobicContact CD2-CG 3.88Å; F481-R545 VanDerWaalsContact CE1-NH1 3.27Å; F481-R545 HydrophobicContact CE2-CB 4.28Å; F481-R545 HydrophobicContact CE2-CG 4.27Å; F481-R545 HydrophobicContact CG-CG 4.27Å; F481-R545 VanDerWaalsContact CG-NH1 3.32Å; F481-R548 HydrophobicContact CE2-CB 4.13Å; F481-R548 HydrophobicContact CE2-CG 4Å; F481-R548 HydrophobicContact CZ-CG 4.03Å; F481-I549 HydrophobicContact CD2-CG1 4.4Å
482	F	93	Very high	91.6	Very high	33 Å²	33	44.8 Å²	44.8	15%	0.145	22%	0.223	C	C	.	.	H	α-helix	trans	-56.6	-47.3	-172.6	178.7	-119	0	0	0	113.2	F473 S476 D477 F480 E484 L485 E486 I614 P615	F473-F482 HydrophobicContact CD1-CE1 4.3Å; F473-F482 HydrophobicContact CE1-CE1 4.13Å; S476-F482 VanDerWaalsContact O-CB 3.29Å; S476-F482 WeakPolarHBondContact O-CB 3.35Å; S476-F482 PolarHBondContact O-N 2.69Å; D477-F482 WeakPolarHBondContact OD1-CB 3.38Å; F480-F482 VanDerWaalsContact C-N 3.25Å; F480-F482 PolarHBondContact O-N 2.67Å; F482-E484 PolarHBondContact O-N 3.2Å; F482-L485 PolarHBondContact O-N 2.9Å; F482-E486 PolarHBondContact O-N 2.93Å; F482-I614 HydrophobicContact CB-CG2 3.85Å; F482-I614 HydrophobicContact CD2-CB 3.98Å; F482-I614 HydrophobicContact CD2-CD1 4.45Å; F482-I614 HydrophobicContact CD2-CG2 3.91Å; F482-I614 HydrophobicContact CG-CG2 4.25Å; F482-P615 HydrophobicContact CD2-CG 4.33Å; F482-P615 HydrophobicContact CE2-CG 3.85Å; F482-P615 HydrophobicContact CZ-CG 4.03Å
483	N	90.6	Very high	91.3	Very high	109 Å²	109	44.7 Å²	44.7	58%	0.583	22%	0.222	S	C	*	.	H	α-helix	trans	-52.7	-18.5	168.8	-75.5	-55.3	0	0	0	116	D477 F481	D477-N483 PolarHBondContact OD1-N 2.96Å; D477-N483 PolarHBondContact OD1-ND2 3.37Å; D477-N483 PolarHBondContact OD2-ND2 2.66Å; F481-N483 PolarHBondContact O-N 3.24Å
484	E	88.5	Confident	90.9	Very high	108 Å²	108	41.9 Å²	41.9	51%	0.505	21%	0.211	S	C	.	.	H	α-helix	trans	-100.9	-8.9	175.2	-67.8	-167.9	-115.1	0	0	113.7	F481 F482 R545	F481-E484 HydrophobicContact CB-CB 4.33Å; F481-E484 WeakPolarHBondContact O-CA 3.36Å; F481-E484 WeakPolarHBondContact O-CB 3.27Å; F481-E484 PolarHBondContact O-N 2.9Å; F482-E484 PolarHBondContact O-N 3.2Å; E484-R545 IonicContact OE1-CZ 3.45Å; E484-R545 IonicContact OE1-NE 3.68Å; E484-R545 IonicContact OE1-NH1 2.76Å; E484-R545 IonicContact OE1-NH2 3.69Å; E484-R545 PolarHBondContact OE1-NH2 2.96Å; E484-R545 IonicContact OE2-CZ 3.11Å; E484-R545 IonicContact OE2-NE 3.45Å; E484-R545 PolarHBondContact OE2-NE 3.26Å; E484-R545 IonicContact OE2-NH2 2.75Å; E484-R545 PolarHBondContact OE2-NH2 2.86Å
485	L	90.5	Very high	90.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-126.9	-6.1	-169	-66.6	-179.5	0	0	0	114.4	F481 F482 D487 C488 D489 V542 R545 Y546 I549 I614	F481-L485 HydrophobicContact CB-CD1 4.28Å; F481-L485 HydrophobicContact CB-CG 4.49Å; F481-L485 PolarHBondContact O-N 3.43Å; F482-L485 PolarHBondContact O-N 2.9Å; L485-D487 PolarHBondContact O-N 3.35Å; L485-C488 CarbonylContact O-C 3.16Å; L485-C488 VanDerWaalsContact O-C 3.27Å; L485-C488 VanDerWaalsContact O-CA 3.29Å; L485-C488 WeakPolarHBondContact O-CA 3.28Å; L485-C488 PolarHBondContact O-N 2.98Å; L485-D489 PolarHBondContact O-N 2.95Å; L485-V542 HydrophobicContact CD2-CB 4.44Å; L485-V542 HydrophobicContact CD2-CG1 4.1Å; L485-V542 HydrophobicContact CD2-CG2 4.17Å; L485-R545 HydrophobicContact CD1-CB 3.91Å; L485-R545 HydrophobicContact CD2-CB 4.29Å; L485-Y546 HydrophobicContact CB-CE2 4.48Å; L485-Y546 HydrophobicContact CD1-CD2 4.02Å; L485-Y546 HydrophobicContact CD1-CE2 3.78Å; L485-Y546 HydrophobicContact CD2-CD2 4.29Å; L485-Y546 HydrophobicContact CD2-CE2 3.94Å; L485-Y546 HydrophobicContact CG-CE2 4.3Å; L485-I549 HydrophobicContact CD1-CD1 3.79Å; L485-I614 HydrophobicContact CB-CD1 3.51Å; L485-I614 HydrophobicContact CD1-CD1 3.58Å; L485-I614 HydrophobicContact CG-CD1 4.21Å
486	E	86	Confident	89.5	Confident	102 Å²	102	41 Å²	41	48%	0.477	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-50.9	-47.8	178.2	48	166.2	-159.5	0	0	113.5	F482 C488	F482-E486 PolarHBondContact O-N 2.93Å; E486-C488 PolarHBondContact O-N 2.88Å
487	D	82.7	Confident	87.5	Confident	98 Å²	98	43.3 Å²	43.3	52%	0.524	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-64.6	-21.1	174.8	-78.3	-51.9	0	0	0	113	L485 R533	L485-D487 PolarHBondContact O-N 3.35Å; D487-R533 IonicContact OD2-CZ 2.6Å; D487-R533 IonicContact OD2-NH1 2.72Å; D487-R533 PolarHBondContact OD2-NH1 2.72Å; D487-R533 IonicContact OD2-NH2 2.62Å; D487-R533 PolarHBondContact OD2-NH2 3.31Å
488	C	83.8	Confident	85.4	Confident	24 Å²	24	42.5 Å²	42.5	16%	0.162	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-109.3	21	-171.4	-62.7	0	0	0	0	113.8	L485 E486 Q490 F538 V542 Y546	L485-C488 CarbonylContact O-C 3.16Å; L485-C488 VanDerWaalsContact O-C 3.27Å; L485-C488 VanDerWaalsContact O-CA 3.29Å; L485-C488 WeakPolarHBondContact O-CA 3.28Å; L485-C488 PolarHBondContact O-N 2.98Å; E486-C488 PolarHBondContact O-N 2.88Å; C488-Q490 PolarHBondContact O-N 3.38Å; C488-Q490 PolarHBondContact O-NE2 3.14Å; C488-F538 VanDerWaalsContact SG-CZ 3.58Å; C488-V542 HydrophobicContact CB-CG1 4.29Å; C488-V542 HydrophobicContact CB-CG2 4.46Å; C488-Y546 PolarHBondContact O-OH 3.28Å
489	D	80.4	Confident	83.2	Confident	27 Å²	27	42.4 Å²	42.4	14%	0.144	23%	0.228	C	C	.	.			trans	-44.7	132.1	175	-111.9	-17.5	0	0	0	112.9	L485 K639	L485-D489 PolarHBondContact O-N 2.95Å; D489-K639 HydrophobicContact CB-CD 4.45Å; D489-K639 VanDerWaalsContact CB-CE 3.49Å; D489-K639 PolarHBondContact O-NZ 3.37Å
490	Q	88.5	Confident	81	Confident	44 Å²	44	44.6 Å²	44.6	21%	0.206	24%	0.242	C	C	.	.			trans	-111.4	161.9	179.5	-59.4	-58.8	-51.8	0	0	112.2	C488 I496 Y546 L613 C636	C488-Q490 PolarHBondContact O-N 3.38Å; C488-Q490 PolarHBondContact O-NE2 3.14Å; Q490-I496 HydrophobicContact CG-CD1 3.45Å; Q490-I496 VanDerWaalsContact CG-CD1 3.45Å; Q490-I496 HydrophobicContact CG-CG1 3.7Å; Q490-Y546 HydrophobicContact CG-CE1 4.26Å; Q490-Y546 HydrophobicContact CG-CE2 4.2Å; Q490-L613 HydrophobicContact CB-CD2 4.09Å; Q490-C636 WeakPolarHBondContact O-CB 3.43Å
491	A	91.5	Very high	78.6	Confident	10 Å²	10	48.5 Å²	48.5	8%	0.083	27%	0.274	C	S	.	.	S	Bend	trans	-83.5	-28.4	169.9	0	0	0	0	0	111.8	D495 Y635 C636 I640	A491-D495 WeakPolarHBondContact CB-OD2 3.41Å; A491-D495 PolarHBondContact N-OD2 3.34Å; A491-Y635 WeakPolarHBondContact O-CA 3.29Å; A491-C636 WeakPolarHBondContact CA-O 3.47Å; A491-C636 PolarHBondContact O-N 3.03Å; A491-I640 HydrophobicContact CB-CD1 3.8Å; A491-I640 HydrophobicContact CB-CG1 4.34Å
492	H	93.4	Very high	76.5	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.037	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-148.4	156.2	-178	-171.3	-100.4	0	0	0	113.4	D494 D495 E632 I634 Y635 R652	H492-D494 VanDerWaalsContact C-N 3.26Å; H492-D494 IonicContact CE1-OD2 2.38Å; H492-D494 PolarHBondContact CE1-OD2 3.48Å; H492-D494 PolarHBondContact ND1-N 2.69Å; H492-D494 VanDerWaalsContact ND1-N 3.1Å; H492-D494 IonicContact ND1-OD2 3.85Å; H492-D494 PolarHBondContact O-N 3.1Å; H492-D495 PolarHBondContact N-OD2 3.13Å; H492-D495 PolarHBondContact O-N 2.94Å; H492-E632 WeakPolarHBondContact NE2-CA 3.23Å; H492-E632 CovalentContact NE2-O 1.79Å; H492-E632 PolarHBondContact NE2-O 3.36Å; H492-I634 PolarHBondContact CD2-O 3.36Å; H492-Y635 HydrophobicContact CB-CD1 4.35Å; H492-Y635 HydrophobicContact CB-CE1 4.5Å; H492-Y635 AromaticContact CD2-CD1 3.6Å; H492-Y635 AromaticContact CD2-CE1 3.35Å; H492-Y635 WeakPolarHBondContact CD2-CE1 3.49Å; H492-Y635 AromaticContact CD2-CZ 3.69Å; H492-Y635 AromaticContact NE2-CE2 3.98Å; H492-Y635 AromaticContact NE2-CZ 3.62Å; H492-R652 PolarHBondContact NE2-NH1 3.26Å
493	I	91.6	Very high	74	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.015	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.5	-177	-165.9	57.3	0	0	0	114.4	Y546 R550 Y617 I631	I493-Y546 HydrophobicContact CD1-CD1 3.88Å; I493-R550 HydrophobicContact CG1-CB 4.41Å; I493-R550 HydrophobicContact CG1-CG 4.31Å; I493-R550 PolarHBondContact O-NH2 2.64Å; I493-Y617 HydrophobicContact CD1-CE2 4.39Å; I493-I631 HydrophobicContact CB-CG1 4.39Å; I493-I631 HydrophobicContact CD1-CD1 4.38Å; I493-I631 HydrophobicContact CG1-CD1 4.28Å; I493-I631 HydrophobicContact CG1-CG1 4.1Å; I493-I631 HydrophobicContact CG2-CG1 4.44Å
494	D	87.2	Confident	71.9	Confident	21 Å²	21	58.7 Å²	58.7	11%	0.112	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-6.9	177.7	-68.3	-48	0	0	0	114	N418 S420 H492 I496 A497 R550	N418-D494 PolarHBondContact ND2-O 3.03Å; S420-D494 WeakPolarHBondContact CB-OD2 3.39Å; H492-D494 VanDerWaalsContact C-N 3.26Å; H492-D494 IonicContact CE1-OD2 2.38Å; H492-D494 PolarHBondContact CE1-OD2 3.48Å; H492-D494 PolarHBondContact ND1-N 2.69Å; H492-D494 VanDerWaalsContact ND1-N 3.1Å; H492-D494 IonicContact ND1-OD2 3.85Å; H492-D494 PolarHBondContact O-N 3.1Å; D494-I496 PolarHBondContact O-N 2.92Å; D494-I496 VanDerWaalsContact O-N 3.11Å; D494-A497 PolarHBondContact O-N 3.26Å; D494-R550 IonicContact OD1-CZ 3.19Å; D494-R550 IonicContact OD1-NH1 2.79Å; D494-R550 PolarHBondContact OD1-NH1 3Å; D494-R550 IonicContact OD1-NH2 2.68Å; D494-R550 PolarHBondContact OD1-NH2 3.46Å; D494-R550 IonicContact OD2-NH1 3.94Å
495	D	87.3	Confident	69.9	Low	46 Å²	46	58.9 Å²	58.9	25%	0.246	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.6	-177	-80.5	-31.4	0	0	0	112.4	A491 H492 R648	A491-D495 WeakPolarHBondContact CB-OD2 3.41Å; A491-D495 PolarHBondContact N-OD2 3.34Å; H492-D495 PolarHBondContact N-OD2 3.13Å; H492-D495 PolarHBondContact O-N 2.94Å; D495-R648 IonicContact OD1-CZ 3.03Å; D495-R648 IonicContact OD1-NH1 3.54Å; D495-R648 PolarHBondContact OD1-NH1 3.23Å; D495-R648 IonicContact OD1-NH2 2.7Å; D495-R648 IonicContact OD2-NH1 3.53Å; D495-R648 PolarHBondContact OD2-NH1 3.31Å
496	I	75.6	Confident	67.9	Low	12 Å²	12	60.8 Å²	60.8	6%	0.062	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-19.4	-178.6	-56.1	154.3	0	0	0	112.9	Q490 D494 A498 V542 A543 Y546	Q490-I496 HydrophobicContact CG-CD1 3.45Å; Q490-I496 VanDerWaalsContact CG-CD1 3.45Å; Q490-I496 HydrophobicContact CG-CG1 3.7Å; D494-I496 PolarHBondContact O-N 2.92Å; D494-I496 VanDerWaalsContact O-N 3.11Å; I496-A498 PolarHBondContact O-N 3.27Å; I496-V542 HydrophobicContact CD1-CG1 3.74Å; I496-V542 HydrophobicContact CG1-CG1 4.39Å; I496-V542 HydrophobicContact CG2-CG1 4.39Å; I496-A543 HydrophobicContact CG2-CB 3.62Å; I496-Y546 HydrophobicContact CD1-CD1 4.17Å; I496-Y546 HydrophobicContact CD1-CD2 3.09Å; I496-Y546 HydrophobicContact CD1-CE1 4.5Å; I496-Y546 HydrophobicContact CD1-CE2 3.49Å; I496-Y546 VanDerWaalsContact CD1-CE2 3.49Å; I496-Y546 HydrophobicContact CD1-CG 3.45Å; I496-Y546 VanDerWaalsContact CD1-CG 3.45Å
497	A	54.6	Low	66.1	Low	47 Å²	47	59.3 Å²	59.3	39%	0.388	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-3.8	-174.2	0	0	0	0	0	114	D494	D494-A497 PolarHBondContact O-N 3.26Å
498	A	50.8	Low	64.6	Low	42 Å²	42	58.9 Å²	58.9	35%	0.347	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-23.4	-175.7	0	0	0	0	0	114.6	N418 I496	N418-A498 PolarHBondContact ND2-N 3.34Å; I496-A498 PolarHBondContact O-N 3.27Å
499	D	50.1	Low	63	Low	71 Å²	71	63.6 Å²	63.6	38%	0.38	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-89.5	-13.1	-172.9	-153	39.4	0	0	0	113.6	A501	D499-A501 PolarHBondContact O-N 3.02Å
500	D	46.2	Very low	62.1	Low	85 Å²	85	65 Å²	65	46%	0.455	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-70.8	-3	171.7	-91.4	-12	0	0	0	112.3	R547	D500-R547 IonicContact OD2-CZ 3.44Å; D500-R547 IonicContact OD2-NH1 3.63Å; D500-R547 IonicContact OD2-NH2 2.83Å; D500-R547 PolarHBondContact OD2-NH2 2.84Å
501	A	45.7	Very low	60.3	Low	82 Å²	82	68.1 Å²	68.1	68%	0.678	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-101	14.8	-172.3	0	0	0	0	0	115.8	D499 D503	D499-A501 PolarHBondContact O-N 3.02Å; A501-D503 PolarHBondContact O-N 2.92Å
502	Q	47.7	Very low	58.9	Low	126 Å²	126	75.8 Å²	75.8	59%	0.589	44%	0.444	S	S	*	.	S	Bend	trans	-81.1	111.6	165.6	-72.2	-164.8	13.6	0	0	110.6	F504	Q502-F504 WeakPolarHBondContact O-CD2 3.43Å; Q502-F504 PolarHBondContact O-N 3.11Å; Q502-F504 VanDerWaalsContact O-N 3.08Å
503	D	42.1	Very low	56.7	Low	148 Å²	148	77.7 Å²	77.7	79%	0.791	47%	0.466	S	S	*	.			trans	-55.4	112.7	175.7	-80.2	-49.6	0	0	0	111.8	A501 S505	A501-D503 PolarHBondContact O-N 2.92Å; D503-S505 PolarHBondContact O-N 3.16Å; D503-S505 PolarHBondContact O-OG 3.42Å; D503-S505 VanDerWaalsContact O-OG 3.12Å
504	F	46.9	Very low	54.7	Low	128 Å²	128	83.5 Å²	83.5	56%	0.561	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-67.2	26.5	178.3	-74.4	-85.8	0	0	0	114.9	Q502 A506 F507	Q502-F504 WeakPolarHBondContact O-CD2 3.43Å; Q502-F504 PolarHBondContact O-N 3.11Å; Q502-F504 VanDerWaalsContact O-N 3.08Å; F504-A506 PolarHBondContact O-N 3.49Å; F504-F507 HydrophobicContact CD1-CD2 4.19Å; F504-F507 PolarHBondContact O-N 2.89Å
505	S	45	Very low	52.9	Low	111 Å²	111	85.7 Å²	85.7	78%	0.776	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-50.6	-21	166.6	60.1	0	0	0	0	114.2	D503	D503-S505 PolarHBondContact O-N 3.16Å; D503-S505 PolarHBondContact O-OG 3.42Å; D503-S505 VanDerWaalsContact O-OG 3.12Å
506	A	49.1	Very low	51.2	Low	41 Å²	41	87.3 Å²	87.3	34%	0.339	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-86	5	174.5	0	0	0	0	0	114.8	F504 A518	F504-A506 PolarHBondContact O-N 3.49Å; A506-A518 WeakPolarHBondContact O-CB 3.49Å; A506-A518 PolarHBondContact O-N 3.49Å
507	F	47.2	Very low	50.2	Low	71 Å²	71	87.9 Å²	87.9	31%	0.311	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.4	-179.6	-91.2	-90.3	0	0	0	112.5	F504 P515 V516 A517	F504-F507 HydrophobicContact CD1-CD2 4.19Å; F504-F507 PolarHBondContact O-N 2.89Å; F507-P515 HydrophobicContact CD1-CB 3.69Å; F507-P515 HydrophobicContact CE1-CB 4.18Å; F507-V516 WeakPolarHBondContact CA-O 3.41Å; F507-V516 VanDerWaalsContact CD1-O 3.27Å; F507-V516 WeakPolarHBondContact CD1-O 3.47Å; F507-A517 HydrophobicContact CE1-CB 4Å; F507-A517 HydrophobicContact CE2-CB 4.4Å; F507-A517 HydrophobicContact CZ-CB 3.92Å
508	T	51.8	Low	50.2	Low	89 Å²	89	88.4 Å²	88.4	55%	0.546	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.2	174.5	-50.1	0	0	0	0	109	V516	T508-V516 PolarHBondContact N-O 2.92Å; T508-V516 PolarHBondContact O-N 3.12Å
509	L	50.4	Low	50.4	Low	123 Å²	123	89.8 Å²	89.8	64%	0.644	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.4	171.7	-67.4	171.7	0	0	0	109.6	P515	L509-P515 HydrophobicContact CD2-CB 4.27Å
510	T	60.4	Low	50.5	Low	58 Å²	58	91.9 Å²	91.9	36%	0.356	55%	0.554	S	S	.	*			trans	-71	166.7	165.9	61.4	0	0	0	0	110.6	E512 G513 M514 V516	T510-E512 PolarHBondContact O-N 3.36Å; T510-E512 VanDerWaalsContact O-N 3.14Å; T510-G513 PolarHBondContact O-N 3.39Å; T510-M514 PolarHBondContact N-O 3.28Å; T510-M514 PolarHBondContact OG1-N 3.08Å; T510-M514 PolarHBondContact OG1-O 2.99Å; T510-V516 HydrophobicContact CG2-CB 4.49Å; T510-V516 HydrophobicContact CG2-CG2 3.62Å
511	A	52.4	Low	50.8	Low	108 Å²	108	91.7 Å²	91.7	89%	0.893	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-25.3	172.7	0	0	0	0	0	113.1	G513	A511-G513 VanDerWaalsContact C-N 3.27Å; A511-G513 PolarHBondContact O-N 3.22Å
512	E	62	Low	51	Low	171 Å²	171	89.3 Å²	89.3	80%	0.799	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	5.5	174.8	-53.6	-57	140.9	0	0	113.6	T510 M514	T510-E512 PolarHBondContact O-N 3.36Å; T510-E512 VanDerWaalsContact O-N 3.14Å; E512-M514 VanDerWaalsContact C-N 3.34Å; E512-M514 PolarHBondContact O-N 3.05Å
513	G	47.2	Very low	51	Low	49 Å²	49	85.2 Å²	85.2	51%	0.505	53%	0.526	S	S	.	.	S	Bend	trans	76.3	10.2	176.6	0	0	0	0	0	115.9	T510 A511	T510-G513 PolarHBondContact O-N 3.39Å; A511-G513 VanDerWaalsContact C-N 3.27Å; A511-G513 PolarHBondContact O-N 3.22Å
514	M	48.4	Very low	51.1	Low	124 Å²	124	83.6 Å²	83.6	61%	0.611	52%	0.521	S	S	*	.			trans	-89.7	134.9	176.4	-87.3	-64.1	-61.9	0	0	111.9	T510 E512 V516	T510-M514 PolarHBondContact N-O 3.28Å; T510-M514 PolarHBondContact OG1-N 3.08Å; T510-M514 PolarHBondContact OG1-O 2.99Å; E512-M514 VanDerWaalsContact C-N 3.34Å; E512-M514 PolarHBondContact O-N 3.05Å; M514-V516 PolarHBondContact O-N 3.2Å
515	P	51	Low	51.1	Low	68 Å²	68	83.3 Å²	83.3	44%	0.442	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.1	175.4	29.6	-34.4	0	0	0	111.6	F507 L509	F507-P515 HydrophobicContact CD1-CB 3.69Å; F507-P515 HydrophobicContact CE1-CB 4.18Å; L509-P515 HydrophobicContact CD2-CB 4.27Å
516	V	50.5	Low	51.1	Low	80 Å²	80	81.3 Å²	81.3	49%	0.485	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.7	173	173.4	0	0	0	0	109.6	F507 T508 T510 M514 A518	F507-V516 WeakPolarHBondContact CA-O 3.41Å; F507-V516 VanDerWaalsContact CD1-O 3.27Å; F507-V516 WeakPolarHBondContact CD1-O 3.47Å; T508-V516 PolarHBondContact N-O 2.92Å; T508-V516 PolarHBondContact O-N 3.12Å; T510-V516 HydrophobicContact CG2-CB 4.49Å; T510-V516 HydrophobicContact CG2-CG2 3.62Å; M514-V516 PolarHBondContact O-N 3.2Å; V516-A518 PolarHBondContact O-N 3.01Å
517	A	53.9	Low	50.7	Low	24 Å²	24	83.3 Å²	83.3	20%	0.198	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.4	179.7	0	0	0	0	0	110.8	F507 T519 A523	F507-A517 HydrophobicContact CE1-CB 4Å; F507-A517 HydrophobicContact CE2-CB 4.4Å; F507-A517 HydrophobicContact CZ-CB 3.92Å; A517-T519 PolarHBondContact O-N 3.38Å; A517-T519 VanDerWaalsContact O-N 3.14Å; A517-A523 HydrophobicContact CB-CB 4.33Å
518	A	56	Low	50.7	Low	57 Å²	57	86.5 Å²	86.5	47%	0.471	54%	0.538	S	S	.	.	S	Bend	trans	-69.7	-10.1	-172.9	0	0	0	0	0	114.2	A506 V516	A506-A518 WeakPolarHBondContact O-CB 3.49Å; A506-A518 PolarHBondContact O-N 3.49Å; V516-A518 PolarHBondContact O-N 3.01Å
519	T	54.3	Low	50.3	Low	72 Å²	72	86.8 Å²	86.8	44%	0.442	54%	0.539	S	S	.	.	S	Bend	trans	-143.9	143.6	172	35.6	0	0	0	0	111.2	A517 S521 S522	A517-T519 PolarHBondContact O-N 3.38Å; A517-T519 VanDerWaalsContact O-N 3.14Å; T519-S521 PolarHBondContact O-N 3.23Å; T519-S522 WeakPolarHBondContact O-CB 3.36Å; T519-S522 PolarHBondContact O-N 3.37Å
520	P	52.3	Low	50.2	Low	114 Å²	114	87 Å²	87	74%	0.74	55%	0.548	S	S	*	.	H	α-helix	trans	-65.1	-24.7	-178	25.3	-34.1	0	0	0	113.6	S522 A523	P520-S522 VanDerWaalsContact C-N 3.33Å; P520-A523 PolarHBondContact O-N 2.99Å
521	S	51.5	Low	49.7	Very low	82 Å²	82	87.8 Å²	87.8	57%	0.573	57%	0.568	S	S	*	*	H	α-helix	trans	-71.8	-23.1	172.5	48.7	0	0	0	0	113.9	T519 T524 T525	T519-S521 PolarHBondContact O-N 3.23Å; S521-T524 PolarHBondContact O-OG1 3.06Å; S521-T525 PolarHBondContact O-OG1 2.94Å
522	S	50.6	Low	49.8	Very low	32 Å²	32	86.5 Å²	86.5	22%	0.224	55%	0.548	C	S	.	.	H	α-helix	trans	-75.6	-37.3	174.3	-176.8	0	0	0	0	111.1	T519 P520 T524 T525	T519-S522 WeakPolarHBondContact O-CB 3.36Å; T519-S522 PolarHBondContact O-N 3.37Å; P520-S522 VanDerWaalsContact C-N 3.33Å; S522-T524 PolarHBondContact O-N 3.21Å; S522-T525 PolarHBondContact O-N 3.07Å
523	A	48.5	Very low	49.7	Very low	40 Å²	40	86.8 Å²	86.8	33%	0.331	54%	0.542	S	S	.	.	H	α-helix	trans	-58.2	-50	177.8	0	0	0	0	0	112.4	A517 P520 T525 F526 C527	A517-A523 HydrophobicContact CB-CB 4.33Å; P520-A523 PolarHBondContact O-N 2.99Å; A523-T525 PolarHBondContact O-N 2.82Å; A523-F526 PolarHBondContact O-N 2.97Å; A523-C527 PolarHBondContact O-N 3.44Å; A523-C527 PolarHBondContact O-SG 3.09Å
524	T	44.4	Very low	50.4	Low	114 Å²	114	87.5 Å²	87.5	70%	0.699	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.1	-174.8	46.6	0	0	0	0	115.3	S521 S522	S521-T524 PolarHBondContact O-OG1 3.06Å; S522-T524 PolarHBondContact O-N 3.21Å
525	T	46.8	Very low	51.5	Low	121 Å²	121	83.2 Å²	83.2	74%	0.742	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-10.1	178.8	-46.2	0	0	0	0	112.5	S521 S522 A523	S521-T525 PolarHBondContact O-OG1 2.94Å; S522-T525 PolarHBondContact O-N 3.07Å; A523-T525 PolarHBondContact O-N 2.82Å
526	F	43.9	Very low	52.7	Low	69 Å²	69	82.7 Å²	82.7	30%	0.303	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	7.9	-167.9	-126	-87.3	0	0	0	114	A523 L528 I536	A523-F526 PolarHBondContact O-N 2.97Å; F526-L528 PolarHBondContact O-N 3.38Å; F526-I536 HydrophobicContact CE1-CB 4.1Å; F526-I536 HydrophobicContact CE1-CD1 3.87Å; F526-I536 HydrophobicContact CE1-CG2 4.16Å; F526-I536 HydrophobicContact CE2-CD1 3.64Å; F526-I536 HydrophobicContact CZ-CB 4.23Å; F526-I536 HydrophobicContact CZ-CD1 3.27Å; F526-I536 HydrophobicContact CZ-CG1 4.32Å; F526-I536 HydrophobicContact CZ-CG2 4.12Å
527	C	40.8	Very low	54	Low	83 Å²	83	81.6 Å²	81.6	56%	0.561	52%	0.516	S	S	*	.			trans	-66.5	85.9	-173.9	-77.9	0	0	0	0	114.7	A523 V529	A523-C527 PolarHBondContact O-N 3.44Å; A523-C527 PolarHBondContact O-SG 3.09Å; C527-V529 PolarHBondContact O-N 3.37Å
528	L	48	Very low	55.2	Low	139 Å²	139	83 Å²	83	73%	0.728	52%	0.517	S	S	*	.				42.5	54.8	115	-58.3	174.4	0	0	0	117	F526 P530	F526-L528 PolarHBondContact O-N 3.38Å; L528-P530 WeakPolarHBondContact O-CD 3.29Å
529	V	42.4	Very low	56.5	Low	94 Å²	94	83.8 Å²	83.8	57%	0.57	51%	0.512	S	S	*	.			trans	-100.9	104.8	159.6	-177.4	0	0	0	0	108.8	C527 G531 V532	C527-V529 PolarHBondContact O-N 3.37Å; V529-G531 PolarHBondContact O-N 3.4Å; V529-V532 HydrophobicContact CB-CG2 4.01Å; V529-V532 HydrophobicContact CG1-CG2 3.8Å
530	P	48.1	Very low	58	Low	128 Å²	128	84.2 Å²	84.2	83%	0.831	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	123.1	176	-21.7	33.8	0	0	0	111	L528	L528-P530 WeakPolarHBondContact O-CD 3.29Å
531	G	51.4	Low	59.6	Low	75 Å²	75	85.3 Å²	85.3	77%	0.773	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.6	-9.6	172.8	0	0	0	0	0	116.3	V529 R533	V529-G531 PolarHBondContact O-N 3.4Å; G531-R533 PolarHBondContact O-N 2.6Å
532	V	53.5	Low	61.4	Low	80 Å²	80	81.6 Å²	81.6	49%	0.485	47%	0.473	S	S	.	.			trans	-74.2	117.7	176.3	-176.3	0	0	0	0	110.4	V529 G534 S535	V529-V532 HydrophobicContact CB-CG2 4.01Å; V529-V532 HydrophobicContact CG1-CG2 3.8Å; V532-G534 PolarHBondContact O-N 2.69Å; V532-S535 PolarHBondContact O-N 3.15Å; V532-S535 VanDerWaalsContact O-N 3.09Å; V532-S535 PolarHBondContact O-OG 2.62Å
533	R	60	Low	63.2	Low	178 Å²	178	80.6 Å²	80.6	67%	0.672	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	5.5	-177.8	-90	-180	159.5	-142	-10.9	116.5	D487 G531 F538	D487-R533 IonicContact OD2-CZ 2.6Å; D487-R533 IonicContact OD2-NH1 2.72Å; D487-R533 PolarHBondContact OD2-NH1 2.72Å; D487-R533 IonicContact OD2-NH2 2.62Å; D487-R533 PolarHBondContact OD2-NH2 3.31Å; G531-R533 PolarHBondContact O-N 2.6Å; R533-F538 WeakPolarHBondContact O-CD1 3.46Å
534	G	62.8	Low	65.2	Low	64 Å²	64	84.9 Å²	84.9	66%	0.66	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	13	176.7	0	0	0	0	0	114.1	V532	V532-G534 PolarHBondContact O-N 2.69Å
535	S	70.2	Confident	67.4	Low	33 Å²	33	81.8 Å²	81.8	23%	0.231	45%	0.453	C	S	.	.	S	Bend	trans	-77	156	176.7	73.8	0	0	0	0	111.9	V532 D537 F538 M539	V532-S535 PolarHBondContact O-N 3.15Å; V532-S535 VanDerWaalsContact O-N 3.09Å; V532-S535 PolarHBondContact O-OG 2.62Å; S535-D537 PolarHBondContact O-N 3.33Å; S535-F538 WeakPolarHBondContact O-CA 3.37Å; S535-F538 VanDerWaalsContact O-CB 3.3Å; S535-F538 WeakPolarHBondContact O-CB 3.4Å; S535-F538 PolarHBondContact O-N 3.36Å; S535-F538 PolarHBondContact OG-N 3.33Å; S535-M539 PolarHBondContact O-N 3.02Å; S535-M539 VanDerWaalsContact O-N 3.11Å
536	I	77.4	Confident	69.6	Low	57 Å²	57	76.2 Å²	76.2	29%	0.292	42%	0.419	S	S	.	.	H	α-helix	trans	-66.8	-24.3	177.9	-66.3	166.5	0	0	0	110.8	F526 F538 M539 R540	F526-I536 HydrophobicContact CE1-CB 4.1Å; F526-I536 HydrophobicContact CE1-CD1 3.87Å; F526-I536 HydrophobicContact CE1-CG2 4.16Å; F526-I536 HydrophobicContact CE2-CD1 3.64Å; F526-I536 HydrophobicContact CZ-CB 4.23Å; F526-I536 HydrophobicContact CZ-CD1 3.27Å; F526-I536 HydrophobicContact CZ-CG1 4.32Å; F526-I536 HydrophobicContact CZ-CG2 4.12Å; I536-F538 VanDerWaalsContact C-N 3.33Å; I536-M539 PolarHBondContact O-N 3.35Å; I536-R540 WeakPolarHBondContact O-CB 3.39Å; I536-R540 VanDerWaalsContact O-CG 3.23Å; I536-R540 WeakPolarHBondContact O-CG 3.1Å; I536-R540 PolarHBondContact O-N 3.02Å
537	D	77.3	Confident	71.9	Confident	57 Å²	57	78.3 Å²	78.3	31%	0.305	43%	0.425	S	S	.	.	H	α-helix	trans	-72.4	-22.3	169.8	-60.4	-43.5	0	0	0	113.8	S535 R540 K541	S535-D537 PolarHBondContact O-N 3.33Å; D537-R540 IonicContact OD1-CZ 3.81Å; D537-R540 IonicContact OD1-NH1 2.74Å; D537-R540 PolarHBondContact OD1-NH1 3.19Å; D537-K541 WeakPolarHBondContact O-CD 3.45Å; D537-K541 VanDerWaalsContact O-CG 3.29Å; D537-K541 WeakPolarHBondContact O-CG 3.42Å; D537-K541 PolarHBondContact O-N 3.18Å
538	F	79.4	Confident	74.4	Confident	53 Å²	53	78.9 Å²	78.9	23%	0.232	42%	0.415	C	S	.	.	H	α-helix	trans	-73.8	-46.8	166.5	177.1	-101.3	0	0	0	110.6	C488 R533 S535 I536 R540 K541 V542	C488-F538 VanDerWaalsContact SG-CZ 3.58Å; R533-F538 WeakPolarHBondContact O-CD1 3.46Å; S535-F538 WeakPolarHBondContact O-CA 3.37Å; S535-F538 VanDerWaalsContact O-CB 3.3Å; S535-F538 WeakPolarHBondContact O-CB 3.4Å; S535-F538 PolarHBondContact O-N 3.36Å; S535-F538 PolarHBondContact OG-N 3.33Å; I536-F538 VanDerWaalsContact C-N 3.33Å; F538-R540 VanDerWaalsContact C-N 3.34Å; F538-R540 PolarHBondContact O-N 3.05Å; F538-K541 WeakPolarHBondContact O-CB 3.38Å; F538-K541 PolarHBondContact O-N 2.79Å; F538-V542 HydrophobicContact CD1-CG2 4.29Å; F538-V542 HydrophobicContact CE1-CG2 3.86Å; F538-V542 HydrophobicContact CE2-CG2 4.32Å; F538-V542 HydrophobicContact CZ-CG2 3.87Å; F538-V542 PolarHBondContact O-N 3.4Å
539	M	83.3	Confident	76.6	Confident	74 Å²	74	72.2 Å²	72.2	37%	0.365	38%	0.38	S	S	.	.	H	α-helix	trans	-57.9	-42.9	175.5	-69.5	-57.8	-63.5	0	0	112.5	S535 I536 K541 V542 A543	S535-M539 PolarHBondContact O-N 3.02Å; S535-M539 VanDerWaalsContact O-N 3.11Å; I536-M539 PolarHBondContact O-N 3.35Å; M539-K541 VanDerWaalsContact C-N 3.31Å; M539-K541 PolarHBondContact O-N 2.89Å; M539-V542 PolarHBondContact O-N 3.24Å; M539-A543 WeakPolarHBondContact O-CB 3.43Å; M539-A543 PolarHBondContact O-N 3.44Å
540	R	85.5	Confident	79.1	Confident	82 Å²	82	70.1 Å²	70.1	31%	0.309	36%	0.362	S	S	.	.	H	α-helix	trans	-58.6	-37.8	173.2	-72.9	164.9	-177.9	156.1	0.5	113	I536 D537 F538 F544	I536-R540 WeakPolarHBondContact O-CB 3.39Å; I536-R540 VanDerWaalsContact O-CG 3.23Å; I536-R540 WeakPolarHBondContact O-CG 3.1Å; I536-R540 PolarHBondContact O-N 3.02Å; D537-R540 IonicContact OD1-CZ 3.81Å; D537-R540 IonicContact OD1-NH1 2.74Å; D537-R540 PolarHBondContact OD1-NH1 3.19Å; F538-R540 VanDerWaalsContact C-N 3.34Å; F538-R540 PolarHBondContact O-N 3.05Å; R540-F544 WeakPolarHBondContact O-CB 3.41Å; R540-F544 PolarHBondContact O-N 3.35Å
541	K	86.1	Confident	81.4	Confident	137 Å²	137	68.1 Å²	68.1	60%	0.596	34%	0.344	S	S	*	.	H	α-helix	trans	-67.9	-44.3	174.7	-73.4	168.9	-176.8	-179.9	0	111.5	D537 F538 M539 A543 F544 R545	D537-K541 WeakPolarHBondContact O-CD 3.45Å; D537-K541 VanDerWaalsContact O-CG 3.29Å; D537-K541 WeakPolarHBondContact O-CG 3.42Å; D537-K541 PolarHBondContact O-N 3.18Å; F538-K541 WeakPolarHBondContact O-CB 3.38Å; F538-K541 PolarHBondContact O-N 2.79Å; M539-K541 VanDerWaalsContact C-N 3.31Å; M539-K541 PolarHBondContact O-N 2.89Å; K541-A543 VanDerWaalsContact C-N 3.35Å; K541-A543 PolarHBondContact O-N 2.92Å; K541-F544 PolarHBondContact O-N 3.23Å; K541-R545 WeakPolarHBondContact O-CG 3.33Å; K541-R545 PolarHBondContact O-N 3.08Å
542	V	88.9	Confident	83.5	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.024	31%	0.31	C	S	.	.	H	α-helix	trans	-59.4	-46.6	175	175.9	0	0	0	0	110.2	L485 C488 I496 F538 M539 F544 R545 Y546	L485-V542 HydrophobicContact CD2-CB 4.44Å; L485-V542 HydrophobicContact CD2-CG1 4.1Å; L485-V542 HydrophobicContact CD2-CG2 4.17Å; C488-V542 HydrophobicContact CB-CG1 4.29Å; C488-V542 HydrophobicContact CB-CG2 4.46Å; I496-V542 HydrophobicContact CD1-CG1 3.74Å; I496-V542 HydrophobicContact CG1-CG1 4.39Å; I496-V542 HydrophobicContact CG2-CG1 4.39Å; F538-V542 HydrophobicContact CD1-CG2 4.29Å; F538-V542 HydrophobicContact CE1-CG2 3.86Å; F538-V542 HydrophobicContact CE2-CG2 4.32Å; F538-V542 HydrophobicContact CZ-CG2 3.87Å; F538-V542 PolarHBondContact O-N 3.4Å; M539-V542 PolarHBondContact O-N 3.24Å; V542-F544 VanDerWaalsContact C-N 3.35Å; V542-F544 PolarHBondContact O-N 2.99Å; V542-R545 PolarHBondContact O-N 3.19Å; V542-R545 VanDerWaalsContact O-N 3.17Å; V542-Y546 HydrophobicContact CG1-CD2 3.92Å; V542-Y546 HydrophobicContact CG1-CE2 3.99Å; V542-Y546 WeakPolarHBondContact O-CD2 3.27Å; V542-Y546 PolarHBondContact O-N 3.37Å
543	A	89.1	Confident	85.6	Confident	10 Å²	10	61.3 Å²	61.3	8%	0.083	29%	0.287	C	S	.	.	H	α-helix	trans	-59.5	-39.7	175.2	0	0	0	0	0	113.4	I496 M539 K541 R547	I496-A543 HydrophobicContact CG2-CB 3.62Å; M539-A543 WeakPolarHBondContact O-CB 3.43Å; M539-A543 PolarHBondContact O-N 3.44Å; K541-A543 VanDerWaalsContact C-N 3.35Å; K541-A543 PolarHBondContact O-N 2.92Å; A543-R547 WeakPolarHBondContact O-CB 3.16Å; A543-R547 WeakPolarHBondContact O-CG 3.17Å; A543-R547 PolarHBondContact O-N 3.43Å; A543-R547 VanDerWaalsContact O-N 3.14Å; A543-R547 PolarHBondContact O-NE 3.38Å
544	F	89.5	Confident	87.3	Confident	131 Å²	131	56 Å²	56	58%	0.575	27%	0.273	S	S	*	.	H	α-helix	trans	-66.3	-42.4	174.5	178.5	-95.6	0	0	0	111.9	R540 K541 V542 R547 R548	R540-F544 WeakPolarHBondContact O-CB 3.41Å; R540-F544 PolarHBondContact O-N 3.35Å; K541-F544 PolarHBondContact O-N 3.23Å; V542-F544 VanDerWaalsContact C-N 3.35Å; V542-F544 PolarHBondContact O-N 2.99Å; F544-R547 PolarHBondContact O-N 3.29Å; F544-R548 WeakPolarHBondContact O-CB 3.13Å; F544-R548 PolarHBondContact O-N 3.19Å
545	R	91.6	Very high	88.9	Confident	49 Å²	49	58.2 Å²	58.2	19%	0.185	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-45.5	179.3	-69.8	-172.2	-179.9	-58.3	-4.1	112.4	F481 E484 L485 K541 V542 R547 R548 I549	F481-R545 HydrophobicContact CD2-CB 3.84Å; F481-R545 HydrophobicContact CD2-CG 3.88Å; F481-R545 VanDerWaalsContact CE1-NH1 3.27Å; F481-R545 HydrophobicContact CE2-CB 4.28Å; F481-R545 HydrophobicContact CE2-CG 4.27Å; F481-R545 HydrophobicContact CG-CG 4.27Å; F481-R545 VanDerWaalsContact CG-NH1 3.32Å; E484-R545 IonicContact OE1-CZ 3.45Å; E484-R545 IonicContact OE1-NE 3.68Å; E484-R545 IonicContact OE1-NH1 2.76Å; E484-R545 IonicContact OE1-NH2 3.69Å; E484-R545 PolarHBondContact OE1-NH2 2.96Å; E484-R545 IonicContact OE2-CZ 3.11Å; E484-R545 IonicContact OE2-NE 3.45Å; E484-R545 PolarHBondContact OE2-NE 3.26Å; E484-R545 IonicContact OE2-NH2 2.75Å; E484-R545 PolarHBondContact OE2-NH2 2.86Å; L485-R545 HydrophobicContact CD1-CB 3.91Å; L485-R545 HydrophobicContact CD2-CB 4.29Å; K541-R545 WeakPolarHBondContact O-CG 3.33Å; K541-R545 PolarHBondContact O-N 3.08Å; V542-R545 PolarHBondContact O-N 3.19Å; V542-R545 VanDerWaalsContact O-N 3.17Å; R545-R547 PolarHBondContact O-N 3.07Å; R545-R548 CarbonylContact O-C 3.58Å; R545-R548 WeakPolarHBondContact O-CA 3.43Å; R545-R548 PolarHBondContact O-N 3.36Å; R545-R548 VanDerWaalsContact O-N 3.07Å; R545-I549 VanDerWaalsContact O-CG1 3.32Å; R545-I549 WeakPolarHBondContact O-CG1 3.19Å; R545-I549 PolarHBondContact O-N 3.4Å
546	Y	92.6	Very high	90.2	Very high	3 Å²	3	59.4 Å²	59.4	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-67.3	-33.2	176.9	-83.4	-88.5	0	0	0	113.2	L485 C488 Q490 I493 I496 V542 I549 R550 L613 I614	L485-Y546 HydrophobicContact CB-CE2 4.48Å; L485-Y546 HydrophobicContact CD1-CD2 4.02Å; L485-Y546 HydrophobicContact CD1-CE2 3.78Å; L485-Y546 HydrophobicContact CD2-CD2 4.29Å; L485-Y546 HydrophobicContact CD2-CE2 3.94Å; L485-Y546 HydrophobicContact CG-CE2 4.3Å; C488-Y546 PolarHBondContact O-OH 3.28Å; Q490-Y546 HydrophobicContact CG-CE1 4.26Å; Q490-Y546 HydrophobicContact CG-CE2 4.2Å; I493-Y546 HydrophobicContact CD1-CD1 3.88Å; I496-Y546 HydrophobicContact CD1-CD1 4.17Å; I496-Y546 HydrophobicContact CD1-CD2 3.09Å; I496-Y546 HydrophobicContact CD1-CE1 4.5Å; I496-Y546 HydrophobicContact CD1-CE2 3.49Å; I496-Y546 VanDerWaalsContact CD1-CE2 3.49Å; I496-Y546 HydrophobicContact CD1-CG 3.45Å; I496-Y546 VanDerWaalsContact CD1-CG 3.45Å; V542-Y546 HydrophobicContact CG1-CD2 3.92Å; V542-Y546 HydrophobicContact CG1-CE2 3.99Å; V542-Y546 WeakPolarHBondContact O-CD2 3.27Å; V542-Y546 PolarHBondContact O-N 3.37Å; Y546-I549 HydrophobicContact CD1-CD1 4.2Å; Y546-I549 HydrophobicContact CG-CD1 4.41Å; Y546-I549 PolarHBondContact O-N 2.98Å; Y546-R550 PolarHBondContact O-N 3.46Å; Y546-L613 HydrophobicContact CE1-CD2 4.24Å; Y546-I614 HydrophobicContact CE1-CD1 4.37Å; Y546-I614 HydrophobicContact CE1-CG1 4.29Å
547	R	91.4	Very high	91.1	Very high	114 Å²	114	59.8 Å²	59.8	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-45.8	165.5	-80.2	-175.8	-77.9	-169.3	-21	111.9	D500 A543 F544 R545 I549 R550 D551	D500-R547 IonicContact OD2-CZ 3.44Å; D500-R547 IonicContact OD2-NH1 3.63Å; D500-R547 IonicContact OD2-NH2 2.83Å; D500-R547 PolarHBondContact OD2-NH2 2.84Å; A543-R547 WeakPolarHBondContact O-CB 3.16Å; A543-R547 WeakPolarHBondContact O-CG 3.17Å; A543-R547 PolarHBondContact O-N 3.43Å; A543-R547 VanDerWaalsContact O-N 3.14Å; A543-R547 PolarHBondContact O-NE 3.38Å; F544-R547 PolarHBondContact O-N 3.29Å; R545-R547 PolarHBondContact O-N 3.07Å; R547-I549 VanDerWaalsContact C-N 3.33Å; R547-I549 PolarHBondContact O-N 3.31Å; R547-R550 WeakPolarHBondContact O-CA 3.43Å; R547-R550 WeakPolarHBondContact O-CB 3.27Å; R547-R550 PolarHBondContact O-N 3.36Å; R547-D551 PolarHBondContact O-N 3.48Å
548	R	93.5	Very high	91.9	Very high	94 Å²	94	63.9 Å²	63.9	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-65.6	-34.2	179.3	-175.7	56.6	-174.6	157.4	3.1	113.3	F481 F544 R545 R550 D551 L552	F481-R548 HydrophobicContact CE2-CB 4.13Å; F481-R548 HydrophobicContact CE2-CG 4Å; F481-R548 HydrophobicContact CZ-CG 4.03Å; F544-R548 WeakPolarHBondContact O-CB 3.13Å; F544-R548 PolarHBondContact O-N 3.19Å; R545-R548 CarbonylContact O-C 3.58Å; R545-R548 WeakPolarHBondContact O-CA 3.43Å; R545-R548 PolarHBondContact O-N 3.36Å; R545-R548 VanDerWaalsContact O-N 3.07Å; R548-R550 VanDerWaalsContact C-N 3.31Å; R548-D551 IonicContact NH1-OD2 2.66Å; R548-D551 PolarHBondContact NH1-OD2 3.44Å; R548-D551 PolarHBondContact O-N 3.04Å; R548-L552 HydrophobicContact CG-CD1 4.13Å; R548-L552 WeakPolarHBondContact O-CB 3.5Å; R548-L552 VanDerWaalsContact O-CG 3.26Å; R548-L552 WeakPolarHBondContact O-CG 3.31Å; R548-L552 PolarHBondContact O-N 3.47Å
549	I	95	Very high	92.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.2	-42.6	170.5	-67.4	165.8	0	0	0	110	F480 F481 L485 R545 Y546 R547 L552 Y553 I614 Y617	F480-I549 HydrophobicContact CB-CD1 4.16Å; F480-I549 HydrophobicContact CB-CG1 3.96Å; F480-I549 HydrophobicContact CD1-CB 4.27Å; F480-I549 HydrophobicContact CD1-CG1 3.93Å; F480-I549 HydrophobicContact CD1-CG2 3.98Å; F480-I549 HydrophobicContact CE1-CG2 4.28Å; F480-I549 HydrophobicContact CG-CG1 4.24Å; F480-I549 HydrophobicContact CG-CG2 4.3Å; F480-I549 WeakPolarHBondContact O-CD1 3.44Å; F481-I549 HydrophobicContact CD2-CG1 4.4Å; L485-I549 HydrophobicContact CD1-CD1 3.79Å; R545-I549 VanDerWaalsContact O-CG1 3.32Å; R545-I549 WeakPolarHBondContact O-CG1 3.19Å; R545-I549 PolarHBondContact O-N 3.4Å; Y546-I549 HydrophobicContact CD1-CD1 4.2Å; Y546-I549 HydrophobicContact CG-CD1 4.41Å; Y546-I549 PolarHBondContact O-N 2.98Å; R547-I549 VanDerWaalsContact C-N 3.33Å; R547-I549 PolarHBondContact O-N 3.31Å; I549-L552 PolarHBondContact O-N 3.18Å; I549-Y553 WeakPolarHBondContact O-CB 3.49Å; I549-Y553 PolarHBondContact O-N 3.05Å; I549-I614 HydrophobicContact CD1-CD1 4.2Å; I549-I614 HydrophobicContact CD1-CG1 4.16Å; I549-Y617 HydrophobicContact CG2-CD2 3.55Å; I549-Y617 HydrophobicContact CG2-CE2 3.79Å; I549-Y617 HydrophobicContact CG2-CG 4.49Å
550	R	95.2	Very high	93	Very high	49 Å²	49	62.6 Å²	62.6	19%	0.185	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-47.9	175.5	-156.8	-172.1	-56.3	-146	4	112.5	I493 D494 Y546 R547 R548 L552 N554 I631 E632	I493-R550 HydrophobicContact CG1-CB 4.41Å; I493-R550 HydrophobicContact CG1-CG 4.31Å; I493-R550 PolarHBondContact O-NH2 2.64Å; D494-R550 IonicContact OD1-CZ 3.19Å; D494-R550 IonicContact OD1-NH1 2.79Å; D494-R550 PolarHBondContact OD1-NH1 3Å; D494-R550 IonicContact OD1-NH2 2.68Å; D494-R550 PolarHBondContact OD1-NH2 3.46Å; D494-R550 IonicContact OD2-NH1 3.94Å; Y546-R550 PolarHBondContact O-N 3.46Å; R547-R550 WeakPolarHBondContact O-CA 3.43Å; R547-R550 WeakPolarHBondContact O-CB 3.27Å; R547-R550 PolarHBondContact O-N 3.36Å; R548-R550 VanDerWaalsContact C-N 3.31Å; R550-L552 VanDerWaalsContact C-N 3.34Å; R550-L552 PolarHBondContact O-N 3.13Å; R550-N554 WeakPolarHBondContact O-CB 3.49Å; R550-N554 PolarHBondContact O-N 3.41Å; R550-I631 HydrophobicContact CB-CD1 4.5Å; R550-I631 HydrophobicContact CG-CD1 4.3Å; R550-I631 HydrophobicContact CG-CG2 3.64Å; R550-E632 IonicContact NH1-OE1 3.79Å
551	D	95.5	Very high	93.4	Very high	86 Å²	86	58.9 Å²	58.9	46%	0.46	27%	0.27	S	S	.	.	H	α-helix	trans	-58	-47.3	175.8	-55.5	-26.7	0	0	0	111.5	R547 R548 L555	R547-D551 PolarHBondContact O-N 3.48Å; R548-D551 IonicContact NH1-OD2 2.66Å; R548-D551 PolarHBondContact NH1-OD2 3.44Å; R548-D551 PolarHBondContact O-N 3.04Å; D551-L555 WeakPolarHBondContact O-CB 3.42Å; D551-L555 PolarHBondContact O-N 3.14Å
552	L	96.3	Very high	93.7	Very high	12 Å²	12	54.3 Å²	54.3	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-44.3	-176.1	-74.2	168.8	0	0	0	111.7	H479 F480 R548 I549 R550 L555 Y556	H479-L552 WeakPolarHBondContact O-CD1 3.49Å; F480-L552 HydrophobicContact CD1-CD1 4.28Å; F480-L552 HydrophobicContact CE1-CB 3.82Å; F480-L552 HydrophobicContact CE1-CD1 4.32Å; R548-L552 HydrophobicContact CG-CD1 4.13Å; R548-L552 WeakPolarHBondContact O-CB 3.5Å; R548-L552 VanDerWaalsContact O-CG 3.26Å; R548-L552 WeakPolarHBondContact O-CG 3.31Å; R548-L552 PolarHBondContact O-N 3.47Å; I549-L552 PolarHBondContact O-N 3.18Å; R550-L552 VanDerWaalsContact C-N 3.34Å; R550-L552 PolarHBondContact O-N 3.13Å; L552-L555 PolarHBondContact O-N 3.49Å; L552-Y556 HydrophobicContact CD2-CD2 4.12Å; L552-Y556 HydrophobicContact CD2-CE2 3.74Å; L552-Y556 WeakPolarHBondContact O-CB 3.46Å; L552-Y556 VanDerWaalsContact O-CD2 3.28Å; L552-Y556 WeakPolarHBondContact O-CD2 3.36Å; L552-Y556 PolarHBondContact O-N 3.48Å
553	Y	97.5	Very high	93.8	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-50.4	175	-176.6	-87.4	0	0	0	110.7	I549 L555 Y556 K557 Y617 L620 L621 S626 F629 I631 I634	I549-Y553 WeakPolarHBondContact O-CB 3.49Å; I549-Y553 PolarHBondContact O-N 3.05Å; Y553-L555 VanDerWaalsContact C-N 3.3Å; Y553-L555 PolarHBondContact O-N 2.93Å; Y553-Y556 PolarHBondContact O-N 3.13Å; Y553-K557 WeakPolarHBondContact O-CA 3.29Å; Y553-K557 VanDerWaalsContact O-CB 3.28Å; Y553-K557 WeakPolarHBondContact O-CB 3.48Å; Y553-K557 PolarHBondContact O-N 2.98Å; Y553-Y617 HydrophobicContact CD2-CD1 4.04Å; Y553-Y617 HydrophobicContact CD2-CG 4.27Å; Y553-Y617 HydrophobicContact CE2-CD1 4.05Å; Y553-L620 HydrophobicContact CE2-CB 4.31Å; Y553-L620 HydrophobicContact CE2-CD1 4.4Å; Y553-L621 HydrophobicContact CD2-CD1 4.15Å; Y553-L621 HydrophobicContact CD2-CD2 4.44Å; Y553-L621 HydrophobicContact CD2-CG 4.18Å; Y553-L621 HydrophobicContact CE2-CG 4.34Å; Y553-S626 VanDerWaalsContact OH-CA 3.27Å; Y553-S626 WeakPolarHBondContact OH-CA 3.12Å; Y553-S626 PolarHBondContact OH-O 3.12Å; Y553-S626 VanDerWaalsContact OH-O 3.11Å; Y553-F629 PolarHBondContact OH-O 3.32Å; Y553-I631 HydrophobicContact CD1-CB 3.68Å; Y553-I631 HydrophobicContact CD1-CD1 3.95Å; Y553-I631 HydrophobicContact CD1-CG1 4.31Å; Y553-I631 HydrophobicContact CD1-CG2 4.39Å; Y553-I631 HydrophobicContact CD2-CD1 4.39Å; Y553-I631 HydrophobicContact CE1-CB 3.87Å; Y553-I631 HydrophobicContact CG-CB 4.37Å; Y553-I631 HydrophobicContact CG-CD1 3.76Å; Y553-I634 HydrophobicContact CE2-CD1 4.38Å
554	N	96.2	Very high	94.1	Very high	67 Å²	67	54.8 Å²	54.8	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-66.7	-28.2	-179.2	-74.3	-22.5	0	0	0	113.5	R550	R550-N554 WeakPolarHBondContact O-CB 3.49Å; R550-N554 PolarHBondContact O-N 3.41Å
555	L	96.4	Very high	94.1	Very high	110 Å²	110	50.1 Å²	50.1	58%	0.576	25%	0.251	S	S	*	.	H	α-helix	trans	-76.3	-35.2	174.7	179.8	61.4	0	0	0	113.2	D551 L552 Y553	D551-L555 WeakPolarHBondContact O-CB 3.42Å; D551-L555 PolarHBondContact O-N 3.14Å; L552-L555 PolarHBondContact O-N 3.49Å; Y553-L555 VanDerWaalsContact C-N 3.3Å; Y553-L555 PolarHBondContact O-N 2.93Å
556	Y	96.8	Very high	93.9	Very high	57 Å²	57	52.5 Å²	52.5	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-110	-1.1	-171.8	-66.8	-69.5	0	0	0	115	L552 Y553 E558 N559 V560 G562 L563	L552-Y556 HydrophobicContact CD2-CD2 4.12Å; L552-Y556 HydrophobicContact CD2-CE2 3.74Å; L552-Y556 WeakPolarHBondContact O-CB 3.46Å; L552-Y556 VanDerWaalsContact O-CD2 3.28Å; L552-Y556 WeakPolarHBondContact O-CD2 3.36Å; L552-Y556 PolarHBondContact O-N 3.48Å; Y553-Y556 PolarHBondContact O-N 3.13Å; Y556-E558 PolarHBondContact O-N 3.37Å; Y556-N559 WeakPolarHBondContact CD1-O 3.36Å; Y556-N559 CarbonylContact O-C 3.57Å; Y556-N559 PolarHBondContact O-N 2.85Å; Y556-V560 WeakPolarHBondContact O-CG2 3.36Å; Y556-V560 PolarHBondContact O-N 3.42Å; Y556-G562 VanDerWaalsContact CE1-C 3.44Å; Y556-G562 WeakPolarHBondContact CE1-O 3.39Å; Y556-L563 HydrophobicContact CD1-CB 3.92Å; Y556-L563 HydrophobicContact CD2-CB 4.19Å; Y556-L563 HydrophobicContact CD2-CD1 3.81Å; Y556-L563 HydrophobicContact CD2-CD2 4.39Å; Y556-L563 HydrophobicContact CD2-CG 4.36Å; Y556-L563 HydrophobicContact CE1-CB 4.22Å; Y556-L563 HydrophobicContact CE2-CB 4.49Å; Y556-L563 HydrophobicContact CE2-CD1 3.76Å; Y556-L563 HydrophobicContact CG-CB 3.88Å; Y556-L563 HydrophobicContact CG-CD1 4.38Å; Y556-L563 HydrophobicContact CG-CD2 4.47Å; Y556-L563 HydrophobicContact CG-CG 4.48Å
557	K	95.9	Very high	93.7	Very high	65 Å²	65	57.3 Å²	57.3	28%	0.283	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-22	-179.6	61.9	178.8	-179.9	106.9	0	116.3	Y553 S626	Y553-K557 WeakPolarHBondContact O-CA 3.29Å; Y553-K557 VanDerWaalsContact O-CB 3.28Å; Y553-K557 WeakPolarHBondContact O-CB 3.48Å; Y553-K557 PolarHBondContact O-N 2.98Å; K557-S626 WeakPolarHBondContact CA-OG 3.32Å; K557-S626 PolarHBondContact O-OG 3.26Å
558	E	93.8	Very high	93.8	Very high	143 Å²	143	53.4 Å²	53.4	67%	0.668	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-4.8	178.5	-73.5	154.8	-139.2	0	0	112.8	Y556 A627	Y556-E558 PolarHBondContact O-N 3.37Å; E558-A627 HydrophobicContact CG-CB 3.79Å
559	N	93.2	Very high	93.9	Very high	94 Å²	94	51.7 Å²	51.7	50%	0.503	29%	0.291	S	S	.	.			trans	-142.2	56.3	-174.6	-172.9	9.4	0	0	0	112.5	Y556 G561 G562	Y556-N559 WeakPolarHBondContact CD1-O 3.36Å; Y556-N559 CarbonylContact O-C 3.57Å; Y556-N559 PolarHBondContact O-N 2.85Å; N559-G561 PolarHBondContact O-N 2.87Å; N559-G562 PolarHBondContact O-N 3.28Å; N559-G562 PolarHBondContact OD1-N 2.9Å
560	V	93.7	Very high	93.9	Very high	6 Å²	6	59.1 Å²	59.1	4%	0.036	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.8	-178.6	-172.7	0	0	0	0	112.5	I475 Y556 G562 L563 L564 W572 L621	I475-V560 HydrophobicContact CD1-CG1 4.3Å; Y556-V560 WeakPolarHBondContact O-CG2 3.36Å; Y556-V560 PolarHBondContact O-N 3.42Å; V560-G562 VanDerWaalsContact C-N 3.28Å; V560-G562 PolarHBondContact O-N 3.3Å; V560-L563 WeakPolarHBondContact O-CB 3.48Å; V560-L563 PolarHBondContact O-N 2.77Å; V560-L564 HydrophobicContact CG1-CD1 4.26Å; V560-L564 HydrophobicContact CG1-CG 4.38Å; V560-L564 PolarHBondContact O-N 2.94Å; V560-W572 HydrophobicContact CB-CH2 3.8Å; V560-W572 HydrophobicContact CB-CZ2 4.1Å; V560-W572 HydrophobicContact CB-CZ3 4.28Å; V560-W572 HydrophobicContact CG1-CH2 4.43Å; V560-W572 HydrophobicContact CG1-CZ2 4.36Å; V560-L621 HydrophobicContact CG1-CB 4.11Å; V560-L621 HydrophobicContact CG2-CB 3.8Å; V560-L621 HydrophobicContact CG2-CD2 3.67Å; V560-L621 HydrophobicContact CG2-CG 4.35Å; V560-L621 WeakPolarHBondContact CG2-O 3.49Å
561	G	92.5	Very high	93.9	Very high	5 Å²	5	59.5 Å²	59.5	5%	0.052	33%	0.327	C	S	.	.	H	α-helix	trans	-59.3	-36.4	169.9	0	0	0	0	0	113.3	N559 L563 L564 G565	N559-G561 PolarHBondContact O-N 2.87Å; G561-L563 PolarHBondContact O-N 2.7Å; G561-L564 PolarHBondContact O-N 3.19Å; G561-G565 PolarHBondContact O-N 3.27Å
562	G	92.2	Very high	94	Very high	41 Å²	41	56.8 Å²	56.8	42%	0.423	31%	0.31	S	S	.	.	H	α-helix	trans	-70.4	-15	174.1	0	0	0	0	0	114.9	Y556 N559 V560	Y556-G562 VanDerWaalsContact CE1-C 3.44Å; Y556-G562 WeakPolarHBondContact CE1-O 3.39Å; N559-G562 PolarHBondContact O-N 3.28Å; N559-G562 PolarHBondContact OD1-N 2.9Å; V560-G562 VanDerWaalsContact C-N 3.28Å; V560-G562 PolarHBondContact O-N 3.3Å
563	L	92.3	Very high	93.9	Very high	14 Å²	14	60.7 Å²	60.7	7%	0.073	33%	0.328	C	S	.	.	H	α-helix	trans	-89.9	-45.9	172.5	-174.5	60.6	0	0	0	110.9	I475 H479 Y556 V560 G561 L621	I475-L563 HydrophobicContact CD1-CD2 4.36Å; I475-L563 HydrophobicContact CG2-CD2 4.12Å; H479-L563 HydrophobicContact CB-CD1 4.08Å; H479-L563 PolarHBondContact NE2-O 2.91Å; Y556-L563 HydrophobicContact CD1-CB 3.92Å; Y556-L563 HydrophobicContact CD2-CB 4.19Å; Y556-L563 HydrophobicContact CD2-CD1 3.81Å; Y556-L563 HydrophobicContact CD2-CD2 4.39Å; Y556-L563 HydrophobicContact CD2-CG 4.36Å; Y556-L563 HydrophobicContact CE1-CB 4.22Å; Y556-L563 HydrophobicContact CE2-CB 4.49Å; Y556-L563 HydrophobicContact CE2-CD1 3.76Å; Y556-L563 HydrophobicContact CG-CB 3.88Å; Y556-L563 HydrophobicContact CG-CD1 4.38Å; Y556-L563 HydrophobicContact CG-CD2 4.47Å; Y556-L563 HydrophobicContact CG-CG 4.48Å; V560-L563 WeakPolarHBondContact O-CB 3.48Å; V560-L563 PolarHBondContact O-N 2.77Å; G561-L563 PolarHBondContact O-N 2.7Å; L563-L621 HydrophobicContact CD2-CD1 4.4Å
564	L	94	Very high	93.8	Very high	10 Å²	10	65.8 Å²	65.8	5%	0.052	35%	0.352	C	S	.	.	H	α-helix	trans	-71.7	-29.1	-179.6	-73.3	175.1	0	0	0	114.6	L471 Y474 I475 V560 G561 K568 W572 L622	L471-L564 HydrophobicContact CD2-CD2 4.41Å; Y474-L564 HydrophobicContact CD1-CD2 4.11Å; Y474-L564 HydrophobicContact CE1-CD2 4.19Å; I475-L564 HydrophobicContact CD1-CD2 3.82Å; I475-L564 HydrophobicContact CD1-CG 4.31Å; I475-L564 HydrophobicContact CG1-CD2 3.87Å; V560-L564 HydrophobicContact CG1-CD1 4.26Å; V560-L564 HydrophobicContact CG1-CG 4.38Å; V560-L564 PolarHBondContact O-N 2.94Å; G561-L564 PolarHBondContact O-N 3.19Å; L564-K568 HydrophobicContact CB-CB 4.19Å; L564-K568 HydrophobicContact CD2-CB 4.25Å; L564-W572 HydrophobicContact CD1-CB 3.66Å; L564-W572 HydrophobicContact CD1-CD2 3.75Å; L564-W572 HydrophobicContact CD1-CE3 3.88Å; L564-W572 HydrophobicContact CD1-CG 3.68Å; L564-L622 HydrophobicContact CD1-CD2 4.02Å
565	G	91.1	Very high	93.8	Very high	33 Å²	33	62.6 Å²	62.6	34%	0.34	33%	0.334	S	S	.	.	H	α-helix	trans	72.6	160.8	-171.5	0	0	0	0	0	114	G561 S567 K568 Q569	G561-G565 PolarHBondContact O-N 3.27Å; G565-S567 PolarHBondContact O-N 3.09Å; G565-K568 PolarHBondContact O-N 2.8Å; G565-Q569 VanDerWaalsContact O-CB 3.27Å; G565-Q569 WeakPolarHBondContact O-CB 3.39Å; G565-Q569 PolarHBondContact O-N 2.85Å
566	C	86.6	Confident	93.8	Very high	99 Å²	99	59 Å²	59	67%	0.669	31%	0.313	S	S	*	.	H	α-helix	trans	-58.5	-20.4	-165.2	-53.7	0	0	0	0	116.1
567	S	88.9	Confident	93.8	Very high	103 Å²	103	59.2 Å²	59.2	72%	0.72	32%	0.323	S	S	*	.	H	α-helix	trans	-78.3	-63.6	176.2	-177.1	0	0	0	0	111.1	G565 Q569 K570	G565-S567 PolarHBondContact O-N 3.09Å; S567-Q569 VanDerWaalsContact C-N 3.27Å; S567-Q569 PolarHBondContact O-N 3.09Å; S567-K570 PolarHBondContact O-N 2.86Å; S567-K570 VanDerWaalsContact O-N 3.14Å
568	K	93.8	Very high	93.8	Very high	32 Å²	32	57.3 Å²	57.3	14%	0.139	32%	0.316	C	S	.	.	H	α-helix	trans	-68.1	-24	-179.9	-78.6	-172.2	162.8	-68.6	0	113.1	E470 L471 Y474 L564 G565 K570 Q571 W572	E470-K568 IonicContact OE1-NZ 2.63Å; E470-K568 PolarHBondContact OE1-NZ 3Å; L471-K568 HydrophobicContact CD2-CB 4.32Å; L471-K568 HydrophobicContact CD2-CD 3.99Å; L471-K568 HydrophobicContact CD2-CG 4.31Å; Y474-K568 HydrophobicContact CD1-CD 3.66Å; Y474-K568 HydrophobicContact CD2-CD 4.28Å; Y474-K568 HydrophobicContact CE1-CD 3.53Å; Y474-K568 HydrophobicContact CE2-CD 4.17Å; Y474-K568 HydrophobicContact CG-CD 4.04Å; L564-K568 HydrophobicContact CB-CB 4.19Å; L564-K568 HydrophobicContact CD2-CB 4.25Å; G565-K568 PolarHBondContact O-N 2.8Å; K568-K570 VanDerWaalsContact C-N 3.29Å; K568-K570 PolarHBondContact O-N 2.95Å; K568-Q571 VanDerWaalsContact NZ-OE1 3.11Å; K568-Q571 WeakPolarHBondContact O-CB 3.33Å; K568-Q571 PolarHBondContact O-N 3.38Å; K568-W572 VanDerWaalsContact O-CB 3.26Å; K568-W572 WeakPolarHBondContact O-CB 3.46Å; K568-W572 PolarHBondContact O-N 2.66Å
569	Q	95.2	Very high	93.9	Very high	59 Å²	59	50.7 Å²	50.7	28%	0.276	29%	0.285	S	S	.	.	H	α-helix	trans	-58	-38.2	170.8	-175.3	-178.3	8	0	0	112.7	G565 S567 W572 H573	G565-Q569 VanDerWaalsContact O-CB 3.27Å; G565-Q569 WeakPolarHBondContact O-CB 3.39Å; G565-Q569 PolarHBondContact O-N 2.85Å; S567-Q569 VanDerWaalsContact C-N 3.27Å; S567-Q569 PolarHBondContact O-N 3.09Å; Q569-W572 HydrophobicContact CG-CE3 4.15Å; Q569-W572 HydrophobicContact CG-CZ3 4.49Å; Q569-H573 PolarHBondContact NE2-NE2 2.78Å; Q569-H573 PolarHBondContact O-CD2 3.17Å; Q569-H573 PolarHBondContact O-N 2.8Å
570	K	94.3	Very high	94	Very high	155 Å²	155	47.2 Å²	47.2	67%	0.674	27%	0.266	S	S	*	.	H	α-helix	trans	-70	-43.6	176.7	-68.9	179.2	-179.9	-177.7	0	111.7	S567 K568 W572 H573 Q574	S567-K570 PolarHBondContact O-N 2.86Å; S567-K570 VanDerWaalsContact O-N 3.14Å; K568-K570 VanDerWaalsContact C-N 3.29Å; K568-K570 PolarHBondContact O-N 2.95Å; K570-W572 VanDerWaalsContact C-N 3.33Å; K570-W572 PolarHBondContact O-N 3.35Å; K570-H573 PolarHBondContact O-N 3.38Å; K570-Q574 PolarHBondContact O-N 2.88Å; K570-Q574 VanDerWaalsContact O-N 3.14Å
571	Q	95	Very high	94	Very high	58 Å²	58	51.7 Å²	51.7	27%	0.271	29%	0.293	S	S	.	.	H	α-helix	trans	-55.7	-49	173.3	-175.8	-172.1	3.1	0	0	110.5	E470 K568 Q574 I575	E470-Q571 PolarHBondContact OE2-NE2 2.75Å; K568-Q571 VanDerWaalsContact NZ-OE1 3.11Å; K568-Q571 WeakPolarHBondContact O-CB 3.33Å; K568-Q571 PolarHBondContact O-N 3.38Å; Q571-Q574 PolarHBondContact O-N 2.86Å; Q571-I575 HydrophobicContact CG-CD1 3.87Å; Q571-I575 WeakPolarHBondContact O-CD1 3.37Å; Q571-I575 VanDerWaalsContact O-CG1 3.26Å; Q571-I575 WeakPolarHBondContact O-CG1 3.43Å; Q571-I575 PolarHBondContact O-N 3.01Å
572	W	97.3	Very high	94	Very high	28 Å²	28	55.3 Å²	55.3	11%	0.106	31%	0.306	C	S	.	.	H	α-helix	trans	-58.8	-50.5	178.7	171.7	51.7	0	0	0	113.6	L471 V560 L564 K568 Q569 K570 Q574 I575 R576 L622	L471-W572 HydrophobicContact CD1-CB 3.75Å; L471-W572 HydrophobicContact CD1-CG 4.34Å; V560-W572 HydrophobicContact CB-CH2 3.8Å; V560-W572 HydrophobicContact CB-CZ2 4.1Å; V560-W572 HydrophobicContact CB-CZ3 4.28Å; V560-W572 HydrophobicContact CG1-CH2 4.43Å; V560-W572 HydrophobicContact CG1-CZ2 4.36Å; L564-W572 HydrophobicContact CD1-CB 3.66Å; L564-W572 HydrophobicContact CD1-CD2 3.75Å; L564-W572 HydrophobicContact CD1-CE3 3.88Å; L564-W572 HydrophobicContact CD1-CG 3.68Å; K568-W572 VanDerWaalsContact O-CB 3.26Å; K568-W572 WeakPolarHBondContact O-CB 3.46Å; K568-W572 PolarHBondContact O-N 2.66Å; Q569-W572 HydrophobicContact CG-CE3 4.15Å; Q569-W572 HydrophobicContact CG-CZ3 4.49Å; K570-W572 VanDerWaalsContact C-N 3.33Å; K570-W572 PolarHBondContact O-N 3.35Å; W572-Q574 VanDerWaalsContact C-N 3.3Å; W572-Q574 PolarHBondContact O-N 2.93Å; W572-I575 PolarHBondContact O-N 2.9Å; W572-R576 PolarHBondContact O-N 2.85Å; W572-L622 HydrophobicContact CG-CD2 4.11Å; W572-L622 PolarHBondContact NE1-O 3.21Å
573	H	95.5	Very high	94.1	Very high	95 Å²	95	53.4 Å²	53.4	44%	0.44	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-37.8	177.7	-74.3	-47.5	0	0	0	112.4	Q569 K570 S577	Q569-H573 PolarHBondContact NE2-NE2 2.78Å; Q569-H573 PolarHBondContact O-CD2 3.17Å; Q569-H573 PolarHBondContact O-N 2.8Å; K570-H573 PolarHBondContact O-N 3.38Å; H573-S577 WeakPolarHBondContact O-CB 3.4Å; H573-S577 PolarHBondContact O-N 2.77Å
574	Q	95.6	Very high	94.1	Very high	107 Å²	107	56.4 Å²	56.4	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-50.2	174.5	-172.4	63.3	53.6	0	0	111.4	K570 Q571 W572 R576 S577 D578	K570-Q574 PolarHBondContact O-N 2.88Å; K570-Q574 VanDerWaalsContact O-N 3.14Å; Q571-Q574 PolarHBondContact O-N 2.86Å; W572-Q574 VanDerWaalsContact C-N 3.3Å; W572-Q574 PolarHBondContact O-N 2.93Å; Q574-R576 VanDerWaalsContact C-N 3.3Å; Q574-R576 PolarHBondContact O-N 2.84Å; Q574-S577 WeakPolarHBondContact O-CB 3.43Å; Q574-S577 PolarHBondContact O-N 2.7Å; Q574-S577 VanDerWaalsContact O-N 3.12Å; Q574-D578 PolarHBondContact NE2-OD1 2.94Å; Q574-D578 PolarHBondContact O-N 3.23Å
575	I	96.6	Very high	94	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-42.3	179.8	-59.5	153	0	0	0	110.9	A464 R467 M468 L471 Q571 W572 D578 I579	A464-I575 WeakPolarHBondContact O-CG2 3.45Å; R467-I575 HydrophobicContact CB-CD1 3.63Å; R467-I575 HydrophobicContact CB-CG1 3.73Å; R467-I575 HydrophobicContact CB-CG2 4.47Å; R467-I575 WeakPolarHBondContact O-CD1 3.48Å; M468-I575 HydrophobicContact CB-CG2 4.05Å; M468-I575 HydrophobicContact CE-CG2 3.94Å; L471-I575 HydrophobicContact CD1-CD1 3.53Å; L471-I575 HydrophobicContact CG-CD1 4.29Å; Q571-I575 HydrophobicContact CG-CD1 3.87Å; Q571-I575 WeakPolarHBondContact O-CD1 3.37Å; Q571-I575 VanDerWaalsContact O-CG1 3.26Å; Q571-I575 WeakPolarHBondContact O-CG1 3.43Å; Q571-I575 PolarHBondContact O-N 3.01Å; W572-I575 PolarHBondContact O-N 2.9Å; I575-D578 PolarHBondContact O-N 3.24Å; I575-I579 HydrophobicContact CG2-CD1 3.88Å; I575-I579 HydrophobicContact CG2-CG1 4.44Å; I575-I579 WeakPolarHBondContact O-CG1 3.3Å; I575-I579 PolarHBondContact O-N 3.01Å
576	R	96.4	Very high	94.1	Very high	34 Å²	34	57.2 Å²	57.2	13%	0.128	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-39.6	176.8	-77.2	-69.1	-71.5	100.6	0.4	112.2	M468 W572 Q574 E580 H587 L622 Y623	M468-R576 HydrophobicContact CE-CG 3.98Å; W572-R576 PolarHBondContact O-N 2.85Å; Q574-R576 VanDerWaalsContact C-N 3.3Å; Q574-R576 PolarHBondContact O-N 2.84Å; R576-E580 IonicContact CZ-OE2 3.1Å; R576-E580 IonicContact NH1-OE2 2.82Å; R576-E580 PolarHBondContact NH1-OE2 2.82Å; R576-E580 IonicContact NH2-OE2 2.65Å; R576-E580 PolarHBondContact NH2-OE2 3.42Å; R576-E580 WeakPolarHBondContact O-CB 3.46Å; R576-E580 PolarHBondContact O-N 2.97Å; R576-H587 PolarHBondContact NH2-CD2 3.33Å; R576-H587 PolarHBondContact NH2-NE2 2.87Å; R576-L622 WeakPolarHBondContact CD-O 3.25Å; R576-Y623 PolarHBondContact NE-O 3.11Å; R576-Y623 PolarHBondContact NH2-O 2.88Å
577	S	95.5	Very high	94.4	Very high	62 Å²	62	53 Å²	53	43%	0.434	27%	0.273	S	S	.	.	H	α-helix	trans	-63.8	-43.2	173	-174.3	0	0	0	0	112.2	H573 Q574 E580 V581	H573-S577 WeakPolarHBondContact O-CB 3.4Å; H573-S577 PolarHBondContact O-N 2.77Å; Q574-S577 WeakPolarHBondContact O-CB 3.43Å; Q574-S577 PolarHBondContact O-N 2.7Å; Q574-S577 VanDerWaalsContact O-N 3.12Å; S577-E580 PolarHBondContact O-N 2.98Å; S577-V581 WeakPolarHBondContact O-CG2 3.41Å; S577-V581 PolarHBondContact O-N 2.89Å
578	D	95.2	Very high	94.6	Very high	26 Å²	26	51.3 Å²	51.3	14%	0.139	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-52.8	177.3	-59.4	-22.4	0	0	0	109.7	A464 R467 Q574 I575 E580 V581 Y582	A464-D578 HydrophobicContact CB-CB 4.38Å; R467-D578 IonicContact CZ-OD2 3.24Å; R467-D578 VanDerWaalsContact CZ-OD2 3.24Å; R467-D578 IonicContact NH1-OD2 2.77Å; R467-D578 PolarHBondContact NH1-OD2 3.24Å; R467-D578 IonicContact NH2-OD2 2.76Å; R467-D578 PolarHBondContact NH2-OD2 2.67Å; Q574-D578 PolarHBondContact NE2-OD1 2.94Å; Q574-D578 PolarHBondContact O-N 3.23Å; I575-D578 PolarHBondContact O-N 3.24Å; D578-E580 PolarHBondContact O-N 2.87Å; D578-V581 PolarHBondContact O-N 2.87Å; D578-Y582 VanDerWaalsContact O-CD2 3.26Å; D578-Y582 WeakPolarHBondContact O-CD2 3.28Å; D578-Y582 PolarHBondContact O-N 2.66Å; D578-Y582 VanDerWaalsContact O-N 3.09Å
579	I	96.1	Very high	94.6	Very high	3 Å²	3	51 Å²	51	2%	0.015	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-47.2	-179.8	-67.6	171.4	0	0	0	111.1	L445 A464 M468 I575 V581 Y582 T583	L445-I579 HydrophobicContact CD1-CD1 4.08Å; L445-I579 HydrophobicContact CD1-CG1 4.04Å; L445-I579 HydrophobicContact CD1-CG2 4.11Å; A464-I579 HydrophobicContact CB-CG1 3.95Å; M468-I579 HydrophobicContact CB-CD1 4.4Å; M468-I579 HydrophobicContact CE-CD1 3.9Å; I575-I579 HydrophobicContact CG2-CD1 3.88Å; I575-I579 HydrophobicContact CG2-CG1 4.44Å; I575-I579 WeakPolarHBondContact O-CG1 3.3Å; I575-I579 PolarHBondContact O-N 3.01Å; I579-V581 VanDerWaalsContact C-N 3.29Å; I579-V581 PolarHBondContact O-N 3.22Å; I579-Y582 PolarHBondContact O-N 2.97Å; I579-T583 HydrophobicContact CG2-CG2 4.06Å; I579-T583 VanDerWaalsContact O-CB 3.31Å; I579-T583 WeakPolarHBondContact O-CB 3.31Å; I579-T583 VanDerWaalsContact O-CG2 3.28Å; I579-T583 WeakPolarHBondContact O-CG2 3.16Å; I579-T583 PolarHBondContact O-N 3.11Å; I579-T583 PolarHBondContact O-OG1 2.79Å
580	E	95.2	Very high	94.6	Very high	22 Å²	22	48.1 Å²	48.1	10%	0.103	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-34.3	-176.8	-153.5	71.9	-133.2	0	0	113	R576 S577 D578 S585 H587 N588	R576-E580 IonicContact CZ-OE2 3.1Å; R576-E580 IonicContact NH1-OE2 2.82Å; R576-E580 PolarHBondContact NH1-OE2 2.82Å; R576-E580 IonicContact NH2-OE2 2.65Å; R576-E580 PolarHBondContact NH2-OE2 3.42Å; R576-E580 WeakPolarHBondContact O-CB 3.46Å; R576-E580 PolarHBondContact O-N 2.97Å; S577-E580 PolarHBondContact O-N 2.98Å; D578-E580 PolarHBondContact O-N 2.87Å; E580-S585 PolarHBondContact O-N 3.33Å; E580-S585 VanDerWaalsContact O-N 3.09Å; E580-S585 WeakPolarHBondContact OE1-CA 3.46Å; E580-H587 PolarHBondContact OE1-N 3.5Å; E580-H587 WeakPolarHBondContact OE2-CB 3.43Å; E580-H587 IonicContact OE2-CD2 2.67Å; E580-H587 IonicContact OE2-CG 3.78Å; E580-N588 VanDerWaalsContact CD-ND2 3.32Å; E580-N588 VanDerWaalsContact CG-ND2 3.29Å; E580-N588 WeakPolarHBondContact CG-ND2 3.43Å; E580-N588 PolarHBondContact OE1-N 2.95Å; E580-N588 PolarHBondContact OE1-ND2 3.33Å; E580-N588 VanDerWaalsContact OE1-ND2 3.12Å
581	V	94.2	Very high	94.6	Very high	100 Å²	100	42.7 Å²	42.7	61%	0.606	22%	0.222	S	C	*	.	H	α-helix	trans	-73	-47.2	177.3	169.2	0	0	0	0	111.6	S577 D578 I579	S577-V581 WeakPolarHBondContact O-CG2 3.41Å; S577-V581 PolarHBondContact O-N 2.89Å; D578-V581 PolarHBondContact O-N 2.87Å; I579-V581 VanDerWaalsContact C-N 3.29Å; I579-V581 PolarHBondContact O-N 3.22Å
582	Y	93.5	Very high	94.6	Very high	80 Å²	80	44.6 Å²	44.6	31%	0.314	23%	0.229	S	C	.	.	H	α-helix	trans	-77.7	-17.9	-177.2	-75.4	-73.9	0	0	0	114.1	K456 T460 L461 D578 I579	K456-Y582 WeakPolarHBondContact CD-O 3.41Å; K456-Y582 VanDerWaalsContact CE-O 3.28Å; K456-Y582 WeakPolarHBondContact CE-O 3.38Å; T460-Y582 HydrophobicContact CG2-CD2 4.05Å; T460-Y582 HydrophobicContact CG2-CE2 3.38Å; L461-Y582 VanDerWaalsContact CD2-CB 3.46Å; L461-Y582 HydrophobicContact CD2-CG 4.21Å; L461-Y582 HydrophobicContact CG-CG 4.28Å; D578-Y582 VanDerWaalsContact O-CD2 3.26Å; D578-Y582 WeakPolarHBondContact O-CD2 3.28Å; D578-Y582 PolarHBondContact O-N 2.66Å; D578-Y582 VanDerWaalsContact O-N 3.09Å; I579-Y582 PolarHBondContact O-N 2.97Å
583	T	93.2	Very high	94.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	19.6	-179.5	63.5	0	0	0	0	114.5	R28 L441 L445 Y450 I579 S585 W586	R28-T583 PolarHBondContact NH1-O 3.38Å; L441-T583 HydrophobicContact CD1-CG2 3.48Å; L441-T583 VanDerWaalsContact CD1-CG2 3.48Å; L445-T583 HydrophobicContact CD2-CG2 4.2Å; Y450-T583 HydrophobicContact CD1-CG2 4.37Å; Y450-T583 HydrophobicContact CE1-CG2 3.87Å; Y450-T583 WeakPolarHBondContact OH-CA 3.25Å; Y450-T583 PolarHBondContact OH-O 2.84Å; I579-T583 HydrophobicContact CG2-CG2 4.06Å; I579-T583 VanDerWaalsContact O-CB 3.31Å; I579-T583 WeakPolarHBondContact O-CB 3.31Å; I579-T583 VanDerWaalsContact O-CG2 3.28Å; I579-T583 WeakPolarHBondContact O-CG2 3.16Å; I579-T583 PolarHBondContact O-N 3.11Å; I579-T583 PolarHBondContact O-OG1 2.79Å; T583-S585 PolarHBondContact O-N 3.26Å; T583-W586 PolarHBondContact O-N 3.33Å
584	D	92.2	Very high	94.6	Very high	77 Å²	77	38.8 Å²	38.8	41%	0.412	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	46	179.1	-56.9	-27.7	0	0	0	112.5	R28 K456 W586	R28-D584 PolarHBondContact NH1-O 3.4Å; R28-D584 PolarHBondContact NH2-O 3.19Å; K456-D584 IonicContact NZ-OD1 2.73Å; K456-D584 PolarHBondContact NZ-OD1 3.11Å; K456-D584 IonicContact NZ-OD2 2.71Å; K456-D584 PolarHBondContact NZ-OD2 2.87Å; D584-W586 VanDerWaalsContact C-N 3.31Å; D584-W586 PolarHBondContact O-N 2.93Å
585	S	92.7	Very high	94.5	Very high	54 Å²	54	36 Å²	36	38%	0.378	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	35.1	-179.5	-66	0	0	0	0	115.4	E580 T583 H587 N588 L589	E580-S585 PolarHBondContact O-N 3.33Å; E580-S585 VanDerWaalsContact O-N 3.09Å; E580-S585 WeakPolarHBondContact OE1-CA 3.46Å; T583-S585 PolarHBondContact O-N 3.26Å; S585-H587 VanDerWaalsContact C-N 3.33Å; S585-H587 PolarHBondContact O-N 3.36Å; S585-N588 PolarHBondContact O-N 3.15Å; S585-L589 PolarHBondContact O-N 3.34Å
586	W	93.8	Very high	94.4	Very high	6 Å²	6	39.8 Å²	39.8	2%	0.023	22%	0.216	C	C	.	.	H	α-helix	trans	-49.1	-53.1	176	-179.4	-74.9	0	0	0	112.5	R28 L29 E32 E437 T438 L441 T583 D584 N588 L589 V590	R28-W586 HydrophobicContact CB-CE3 4.32Å; R28-W586 HydrophobicContact CB-CH2 4.01Å; R28-W586 HydrophobicContact CB-CZ3 3.67Å; R28-W586 HydrophobicContact CG-CZ3 4.41Å; L29-W586 HydrophobicContact CD2-CH2 4.03Å; L29-W586 HydrophobicContact CD2-CZ2 3.92Å; E32-W586 WeakPolarHBondContact OE2-CH2 3.44Å; E32-W586 WeakPolarHBondContact OE2-CZ3 3.16Å; E437-W586 VanDerWaalsContact O-CZ2 3.23Å; E437-W586 WeakPolarHBondContact O-CZ2 3.35Å; T438-W586 PolarHBondContact O-NE1 2.9Å; T438-W586 VanDerWaalsContact O-NE1 3.11Å; L441-W586 HydrophobicContact CD1-CB 3.7Å; L441-W586 HydrophobicContact CD1-CD2 3.77Å; L441-W586 HydrophobicContact CD1-CE3 3.98Å; L441-W586 HydrophobicContact CD1-CG 3.62Å; L441-W586 HydrophobicContact CD2-CD2 4.07Å; L441-W586 HydrophobicContact CD2-CE3 4.22Å; L441-W586 HydrophobicContact CD2-CH2 4.39Å; L441-W586 HydrophobicContact CD2-CZ2 4.27Å; L441-W586 HydrophobicContact CD2-CZ3 4.35Å; L441-W586 HydrophobicContact CG-CB 4.47Å; L441-W586 HydrophobicContact CG-CD2 3.94Å; L441-W586 HydrophobicContact CG-CE3 4.41Å; L441-W586 HydrophobicContact CG-CG 3.92Å; T583-W586 PolarHBondContact O-N 3.33Å; D584-W586 VanDerWaalsContact C-N 3.31Å; D584-W586 PolarHBondContact O-N 2.93Å; W586-N588 PolarHBondContact O-N 3.39Å; W586-L589 WeakPolarHBondContact O-CB 3.49Å; W586-L589 PolarHBondContact O-N 3Å; W586-L589 VanDerWaalsContact O-N 3.11Å; W586-V590 PolarHBondContact O-N 2.89Å; W586-V590 VanDerWaalsContact O-N 3.13Å
587	H	92.9	Very high	94.3	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.046	21%	0.21	C	C	.	.	H	α-helix	trans	-68.5	-38.8	-173.2	169.5	94.9	0	0	0	111.7	R576 E580 S585 L589 V590 V591 Y623	R576-H587 PolarHBondContact NH2-CD2 3.33Å; R576-H587 PolarHBondContact NH2-NE2 2.87Å; E580-H587 PolarHBondContact OE1-N 3.5Å; E580-H587 WeakPolarHBondContact OE2-CB 3.43Å; E580-H587 IonicContact OE2-CD2 2.67Å; E580-H587 IonicContact OE2-CG 3.78Å; S585-H587 VanDerWaalsContact C-N 3.33Å; S585-H587 PolarHBondContact O-N 3.36Å; H587-L589 PolarHBondContact O-N 2.92Å; H587-V590 PolarHBondContact O-N 3.48Å; H587-V590 VanDerWaalsContact O-N 3.11Å; H587-V591 WeakPolarHBondContact NE2-CG2 3.48Å; H587-V591 WeakPolarHBondContact O-CG2 3.49Å; H587-V591 PolarHBondContact O-N 2.79Å; H587-Y623 PolarHBondContact CE1-O 3.29Å; H587-Y623 AromaticContact ND1-CD1 3.99Å; H587-Y623 PolarHBondContact NE2-O 3.45Å; H587-Y623 VanDerWaalsContact NE2-O 3.12Å
588	N	93.1	Very high	94.2	Very high	69 Å²	69	38.1 Å²	38.1	37%	0.369	21%	0.209	S	C	.	.	H	α-helix	trans	-56.5	-35.8	171.3	-80.1	-46.4	0	0	0	112.8	E580 S585 W586 K592	E580-N588 VanDerWaalsContact CD-ND2 3.32Å; E580-N588 VanDerWaalsContact CG-ND2 3.29Å; E580-N588 WeakPolarHBondContact CG-ND2 3.43Å; E580-N588 PolarHBondContact OE1-N 2.95Å; E580-N588 PolarHBondContact OE1-ND2 3.33Å; E580-N588 VanDerWaalsContact OE1-ND2 3.12Å; S585-N588 PolarHBondContact O-N 3.15Å; W586-N588 PolarHBondContact O-N 3.39Å; N588-K592 WeakPolarHBondContact O-CG 3.39Å; N588-K592 PolarHBondContact O-N 2.83Å
589	L	93.8	Very high	94.1	Very high	24 Å²	24	40.9 Å²	40.9	13%	0.126	24%	0.235	C	C	.	.	H	α-helix	trans	-68.3	-42.9	174	-62.3	174.6	0	0	0	111.7	E21 V25 R28 S585 W586 H587 K592 C593	E21-L589 WeakPolarHBondContact OE2-CD2 3.45Å; V25-L589 HydrophobicContact CG2-CB 4.3Å; R28-L589 VanDerWaalsContact CZ-CD1 3.48Å; S585-L589 PolarHBondContact O-N 3.34Å; W586-L589 WeakPolarHBondContact O-CB 3.49Å; W586-L589 PolarHBondContact O-N 3Å; W586-L589 VanDerWaalsContact O-N 3.11Å; H587-L589 PolarHBondContact O-N 2.92Å; L589-K592 PolarHBondContact O-N 3.34Å; L589-C593 PolarHBondContact O-N 3.19Å; L589-C593 PolarHBondContact O-SG 2.91Å
590	V	94.8	Very high	94	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-47	175.3	174.1	0	0	0	0	111.3	V25 C439 W586 H587 K592 C593 L594	V25-V590 HydrophobicContact CG2-CG2 4.47Å; C439-V590 HydrophobicContact CB-CG1 4.01Å; W586-V590 PolarHBondContact O-N 2.89Å; W586-V590 VanDerWaalsContact O-N 3.13Å; H587-V590 PolarHBondContact O-N 3.48Å; H587-V590 VanDerWaalsContact O-N 3.11Å; V590-K592 VanDerWaalsContact C-N 3.32Å; V590-K592 PolarHBondContact O-N 2.97Å; V590-C593 WeakPolarHBondContact O-CB 3.47Å; V590-C593 PolarHBondContact O-N 3.26Å; V590-C593 VanDerWaalsContact O-N 3.08Å; V590-L594 HydrophobicContact CG1-CD1 3.7Å; V590-L594 HydrophobicContact CG1-CG 4.11Å; V590-L594 WeakPolarHBondContact O-CG 3.37Å; V590-L594 PolarHBondContact O-N 3.38Å
591	V	95.2	Very high	93.8	Very high	40 Å²	40	47.8 Å²	47.8	24%	0.242	28%	0.279	C	S	.	.	H	α-helix	trans	-56.9	-44.7	177.9	168.5	0	0	0	0	111.4	H587 S595 I625	H587-V591 WeakPolarHBondContact NE2-CG2 3.48Å; H587-V591 WeakPolarHBondContact O-CG2 3.49Å; H587-V591 PolarHBondContact O-N 2.79Å; V591-S595 VanDerWaalsContact O-CB 3.25Å; V591-S595 WeakPolarHBondContact O-CB 3.45Å; V591-S595 PolarHBondContact O-N 2.82Å; V591-S595 PolarHBondContact O-OG 3.25Å; V591-I625 HydrophobicContact CG2-CG2 3.69Å
592	K	95	Very high	93.7	Very high	98 Å²	98	45.3 Å²	45.3	43%	0.426	26%	0.262	S	S	.	.	H	α-helix	trans	-59.3	-47.5	174.1	-71.4	173.1	177.1	-177.3	0	111.7	E21 N588 L589 V590 S595 L596	E21-K592 HydrophobicContact CG-CB 4.4Å; E21-K592 HydrophobicContact CG-CD 4.18Å; E21-K592 WeakPolarHBondContact OE1-CD 3.26Å; E21-K592 WeakPolarHBondContact OE1-CE 3.32Å; E21-K592 IonicContact OE1-NZ 3.99Å; E21-K592 PolarHBondContact OE1-NZ 2.75Å; E21-K592 IonicContact OE2-NZ 2.66Å; N588-K592 WeakPolarHBondContact O-CG 3.39Å; N588-K592 PolarHBondContact O-N 2.83Å; L589-K592 PolarHBondContact O-N 3.34Å; V590-K592 VanDerWaalsContact C-N 3.32Å; V590-K592 PolarHBondContact O-N 2.97Å; K592-S595 PolarHBondContact O-N 3.44Å; K592-L596 WeakPolarHBondContact O-CB 3.38Å; K592-L596 VanDerWaalsContact O-CG 3.3Å; K592-L596 WeakPolarHBondContact O-CG 3.45Å; K592-L596 PolarHBondContact O-N 2.85Å
593	C	94.6	Very high	93.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-51.8	-179.6	-67.5	0	0	0	0	111.8	E21 L22 V25 W433 L589 V590 S595 L596 I597	E21-C593 VanDerWaalsContact CB-SG 3.57Å; E21-C593 PolarHBondContact O-SG 2.99Å; L22-C593 HydrophobicContact CD2-CB 3.68Å; L22-C593 HydrophobicContact CG-CB 4.22Å; L22-C593 PolarHBondContact N-SG 3.19Å; L22-C593 VanDerWaalsContact N-SG 3.42Å; V25-C593 VanDerWaalsContact CG2-SG 3.58Å; W433-C593 HydrophobicContact CH2-CB 4.16Å; L589-C593 PolarHBondContact O-N 3.19Å; L589-C593 PolarHBondContact O-SG 2.91Å; V590-C593 WeakPolarHBondContact O-CB 3.47Å; V590-C593 PolarHBondContact O-N 3.26Å; V590-C593 VanDerWaalsContact O-N 3.08Å; C593-S595 VanDerWaalsContact C-N 3.31Å; C593-S595 PolarHBondContact O-N 3.23Å; C593-L596 PolarHBondContact O-N 3.2Å; C593-I597 WeakPolarHBondContact O-CG1 3.22Å; C593-I597 PolarHBondContact O-N 3.46Å; C593-I597 VanDerWaalsContact O-N 3.12Å
594	L	96.3	Very high	93.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-41.5	177.2	-68.4	173.4	0	0	0	111.4	W433 V590 I597 S598 N605 I625 L628 F629	W433-L594 HydrophobicContact CD2-CD2 4.01Å; W433-L594 VanDerWaalsContact CE2-CD2 3.44Å; W433-L594 HydrophobicContact CG-CD2 4.32Å; W433-L594 HydrophobicContact CH2-CD2 4.46Å; W433-L594 HydrophobicContact CZ2-CD2 3.71Å; W433-L594 HydrophobicContact CZ2-CG 4.41Å; V590-L594 HydrophobicContact CG1-CD1 3.7Å; V590-L594 HydrophobicContact CG1-CG 4.11Å; V590-L594 WeakPolarHBondContact O-CG 3.37Å; V590-L594 PolarHBondContact O-N 3.38Å; L594-I597 PolarHBondContact O-N 2.85Å; L594-S598 WeakPolarHBondContact O-CB 3.43Å; L594-S598 PolarHBondContact O-N 3.23Å; L594-S598 PolarHBondContact O-OG 3.38Å; L594-N605 HydrophobicContact CD2-CB 4.39Å; L594-N605 WeakPolarHBondContact CD2-OD1 3.27Å; L594-N605 PolarHBondContact O-ND2 3.41Å; L594-I625 HydrophobicContact CD1-CB 4.32Å; L594-I625 HydrophobicContact CD1-CG2 3.93Å; L594-L628 HydrophobicContact CB-CB 4.22Å; L594-L628 HydrophobicContact CB-CD1 3.54Å; L594-L628 HydrophobicContact CB-CG 4.44Å; L594-L628 HydrophobicContact CD1-CD1 4.22Å; L594-F629 HydrophobicContact CD1-CE2 3.63Å; L594-F629 HydrophobicContact CD1-CZ 4.11Å; L594-F629 HydrophobicContact CD2-CE1 4.34Å; L594-F629 HydrophobicContact CD2-CE2 3.94Å; L594-F629 HydrophobicContact CD2-CZ 3.55Å; L594-F629 HydrophobicContact CG-CE2 4.46Å
595	S	95.4	Very high	94	Very high	48 Å²	48	40 Å²	40	34%	0.336	24%	0.238	S	C	.	.	H	α-helix	trans	-67.2	-40	178.4	-56.9	0	0	0	0	112.9	V591 K592 C593 I597 S598 A599	V591-S595 VanDerWaalsContact O-CB 3.25Å; V591-S595 WeakPolarHBondContact O-CB 3.45Å; V591-S595 PolarHBondContact O-N 2.82Å; V591-S595 PolarHBondContact O-OG 3.25Å; K592-S595 PolarHBondContact O-N 3.44Å; C593-S595 VanDerWaalsContact C-N 3.31Å; C593-S595 PolarHBondContact O-N 3.23Å; S595-I597 VanDerWaalsContact C-N 3.27Å; S595-I597 PolarHBondContact O-N 2.94Å; S595-S598 PolarHBondContact O-N 2.98Å; S595-A599 WeakPolarHBondContact O-CB 3.38Å; S595-A599 PolarHBondContact O-N 3.36Å
596	L	94.3	Very high	94.3	Very high	81 Å²	81	37.4 Å²	37.4	42%	0.424	22%	0.22	S	C	.	.	H	α-helix	trans	-64	-32.6	175.3	-74.2	169.1	0	0	0	112.2	E21 K592 C593	E21-L596 HydrophobicContact CB-CD1 4.44Å; E21-L596 HydrophobicContact CG-CD1 4.29Å; K592-L596 WeakPolarHBondContact O-CB 3.38Å; K592-L596 VanDerWaalsContact O-CG 3.3Å; K592-L596 WeakPolarHBondContact O-CG 3.45Å; K592-L596 PolarHBondContact O-N 2.85Å; C593-L596 PolarHBondContact O-N 3.2Å
597	I	94.3	Very high	94.5	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-72.6	-50.3	172.5	-65.1	161.2	0	0	0	110.3	L22 F431 W433 C593 L594 S595 A599 K600 N605	L22-I597 HydrophobicContact CD1-CD1 4.34Å; L22-I597 HydrophobicContact CD2-CD1 4.44Å; F431-I597 HydrophobicContact CB-CD1 4.25Å; F431-I597 HydrophobicContact CD1-CD1 3.76Å; F431-I597 HydrophobicContact CD2-CB 4.44Å; F431-I597 HydrophobicContact CD2-CD1 3.87Å; F431-I597 HydrophobicContact CD2-CG1 4.03Å; F431-I597 HydrophobicContact CD2-CG2 3.52Å; F431-I597 HydrophobicContact CE1-CD1 3.97Å; F431-I597 HydrophobicContact CE1-CG1 4.38Å; F431-I597 HydrophobicContact CE2-CB 4.47Å; F431-I597 HydrophobicContact CE2-CD1 4.08Å; F431-I597 HydrophobicContact CE2-CG1 3.86Å; F431-I597 HydrophobicContact CE2-CG2 3.8Å; F431-I597 HydrophobicContact CG-CD1 3.7Å; F431-I597 HydrophobicContact CG-CG1 4.36Å; F431-I597 HydrophobicContact CG-CG2 4.29Å; F431-I597 HydrophobicContact CZ-CD1 4.11Å; F431-I597 HydrophobicContact CZ-CG1 4.03Å; W433-I597 HydrophobicContact CZ2-CD1 3.71Å; C593-I597 WeakPolarHBondContact O-CG1 3.22Å; C593-I597 PolarHBondContact O-N 3.46Å; C593-I597 VanDerWaalsContact O-N 3.12Å; L594-I597 PolarHBondContact O-N 2.85Å; S595-I597 VanDerWaalsContact C-N 3.27Å; S595-I597 PolarHBondContact O-N 2.94Å; I597-A599 PolarHBondContact O-N 3.43Å; I597-K600 PolarHBondContact O-N 2.65Å; I597-N605 WeakPolarHBondContact CD1-OD1 3.28Å; I597-N605 WeakPolarHBondContact CG2-OD1 3.44Å
598	S	93.1	Very high	94.7	Very high	58 Å²	58	36.7 Å²	36.7	41%	0.406	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-20.2	-179.6	-66.3	0	0	0	0	113.9	L594 S595 K600 N605	L594-S598 WeakPolarHBondContact O-CB 3.43Å; L594-S598 PolarHBondContact O-N 3.23Å; L594-S598 PolarHBondContact O-OG 3.38Å; S595-S598 PolarHBondContact O-N 2.98Å; S598-K600 VanDerWaalsContact C-N 3.27Å; S598-K600 PolarHBondContact O-N 3Å; S598-N605 PolarHBondContact OG-ND2 3.44Å
599	A	93.4	Very high	94.9	Very high	83 Å²	83	33.4 Å²	33.4	69%	0.686	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-14.4	172.8	0	0	0	0	0	113.8	S595 I597	S595-A599 WeakPolarHBondContact O-CB 3.38Å; S595-A599 PolarHBondContact O-N 3.36Å; I597-A599 PolarHBondContact O-N 3.43Å
600	K	93.1	Very high	95	Very high	58 Å²	58	35.2 Å²	35.2	25%	0.252	21%	0.211	S	C	.	.			trans	-101.9	111.1	179.2	-73.2	-177.3	171.4	-174	0	110.3	D18 I597 S598 N602 Y603	D18-K600 IonicContact OD2-NZ 3.31Å; D18-K600 PolarHBondContact OD2-NZ 2.84Å; I597-K600 PolarHBondContact O-N 2.65Å; S598-K600 VanDerWaalsContact C-N 3.27Å; S598-K600 PolarHBondContact O-N 3Å; K600-N602 PolarHBondContact O-N 3.32Å; K600-Y603 HydrophobicContact CB-CD2 3.85Å; K600-Y603 HydrophobicContact CB-CE2 4.47Å; K600-Y603 HydrophobicContact CB-CG 3.93Å; K600-Y603 HydrophobicContact CD-CD2 3.58Å; K600-Y603 HydrophobicContact CD-CE2 3.4Å; K600-Y603 VanDerWaalsContact CD-CE2 3.4Å; K600-Y603 HydrophobicContact CD-CG 4.37Å; K600-Y603 HydrophobicContact CG-CD2 4.33Å; K600-Y603 PolarHBondContact O-N 3.21Å
601	S	90.1	Very high	94.9	Very high	113 Å²	113	35.6 Å²	35.6	79%	0.79	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.2	-173.9	55.8	0	0	0	0	115.2
602	N	92.7	Very high	94.8	Very high	47 Å²	47	34.6 Å²	34.6	25%	0.251	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.1	171.5	60.1	-33	0	0	0	113.4	Y427 E428 K600	Y427-N602 CarbonylContact C-O 3.53Å; Y427-N602 VanDerWaalsContact CA-O 3.27Å; Y427-N602 WeakPolarHBondContact CA-O 3.5Å; E428-N602 HydrophobicContact CB-CB 4.23Å; E428-N602 PolarHBondContact N-O 3.12Å; E428-N602 PolarHBondContact OE2-ND2 2.88Å; K600-N602 PolarHBondContact O-N 3.32Å
603	Y	94.6	Very high	94.8	Very high	37 Å²	37	29.9 Å²	29.9	15%	0.145	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	158.6	-179.5	-65.2	-1.1	0	0	0	111.5	Y427 E428 R429 F431 K600	Y427-Y603 WeakPolarHBondContact CE1-O 3.26Å; E428-Y603 HydrophobicContact CB-CD1 4.47Å; E428-Y603 HydrophobicContact CB-CE1 4.23Å; E428-Y603 HydrophobicContact CG-CE1 4.49Å; R429-Y603 HydrophobicContact CB-CD1 3.6Å; R429-Y603 HydrophobicContact CB-CE1 3.64Å; R429-Y603 HydrophobicContact CB-CG 4.19Å; R429-Y603 VanDerWaalsContact O-CA 3.27Å; R429-Y603 WeakPolarHBondContact O-CA 3.43Å; F431-Y603 AromaticContact CE2-CD2 3.76Å; F431-Y603 HydrophobicContact CE2-CD2 3.76Å; F431-Y603 HydrophobicContact CE2-CE2 4.27Å; F431-Y603 HydrophobicContact CE2-CG 4.19Å; F431-Y603 HydrophobicContact CZ-CD2 4.4Å; K600-Y603 HydrophobicContact CB-CD2 3.85Å; K600-Y603 HydrophobicContact CB-CE2 4.47Å; K600-Y603 HydrophobicContact CB-CG 3.93Å; K600-Y603 HydrophobicContact CD-CD2 3.58Å; K600-Y603 HydrophobicContact CD-CE2 3.4Å; K600-Y603 VanDerWaalsContact CD-CE2 3.4Å; K600-Y603 HydrophobicContact CD-CG 4.37Å; K600-Y603 HydrophobicContact CG-CD2 4.33Å; K600-Y603 PolarHBondContact O-N 3.21Å
604	A	95	Very high	94.8	Very high	7 Å²	7	29.9 Å²	29.9	6%	0.058	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	142.9	173.4	0	0	0	0	0	112.5	Y427 R429 I430 F431 Y653	Y427-A604 HydrophobicContact CD1-CB 4.01Å; Y427-A604 HydrophobicContact CE1-CB 3.78Å; R429-A604 PolarHBondContact O-N 2.96Å; I430-A604 HydrophobicContact CD1-CB 3.86Å; F431-A604 PolarHBondContact N-O 3.39Å; A604-Y653 HydrophobicContact CB-CE1 4.16Å
605	N	96.9	Very high	94.8	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.3	163.8	-70	-55	0	0	0	110	W433 L594 I597 S598 F629 N633	W433-N605 PolarHBondContact NE1-OD1 2.93Å; L594-N605 HydrophobicContact CD2-CB 4.39Å; L594-N605 WeakPolarHBondContact CD2-OD1 3.27Å; L594-N605 PolarHBondContact O-ND2 3.41Å; I597-N605 WeakPolarHBondContact CD1-OD1 3.28Å; I597-N605 WeakPolarHBondContact CG2-OD1 3.44Å; S598-N605 PolarHBondContact OG-ND2 3.44Å; N605-F629 HydrophobicContact CB-CD1 4.05Å; N605-F629 HydrophobicContact CB-CE1 3.84Å; N605-N633 PolarHBondContact O-ND2 3.11Å
606	V	97.7	Very high	94.9	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.1	175.9	175.5	0	0	0	0	108	I430 F431 L432 W433 V608 N633 Y635 V649 Y653	I430-V606 HydrophobicContact CG2-CB 4.36Å; I430-V606 HydrophobicContact CG2-CG2 3.76Å; F431-V606 PolarHBondContact O-N 2.86Å; F431-V606 VanDerWaalsContact O-O 3.09Å; L432-V606 HydrophobicContact CD2-CB 4.01Å; L432-V606 HydrophobicContact CD2-CG1 4.04Å; W433-V606 PolarHBondContact N-O 3.34Å; V606-V608 HydrophobicContact CG1-CG2 4.22Å; V606-N633 WeakPolarHBondContact CA-O 3.42Å; V606-N633 WeakPolarHBondContact CG1-O 3.48Å; V606-N633 HydrophobicContact CG2-CB 4.25Å; V606-Y635 HydrophobicContact CG1-CD2 3.84Å; V606-Y635 HydrophobicContact CG1-CE2 3.78Å; V606-V649 HydrophobicContact CG1-CG1 4.2Å; V606-V649 HydrophobicContact CG1-CG2 3.91Å; V606-V649 HydrophobicContact CG2-CG1 4.43Å; V606-Y653 HydrophobicContact CG2-CE2 3.96Å
607	L	98.3	Very high	95.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.7	179.9	-166.6	78.4	0	0	0	110.1	W433 L435 T609 T616 L620 F629 N633 I634 Y635	W433-L607 HydrophobicContact CB-CD1 4.06Å; W433-L607 WeakPolarHBondContact O-CA 3.42Å; L435-L607 HydrophobicContact CB-CD1 4.06Å; L435-L607 HydrophobicContact CB-CD2 4.22Å; L435-L607 HydrophobicContact CB-CG 4.45Å; L435-L607 HydrophobicContact CD1-CD1 4.46Å; L435-L607 HydrophobicContact CD1-CD2 4.31Å; L435-L607 HydrophobicContact CD2-CD2 4.43Å; L607-T609 HydrophobicContact CD2-CG2 4.46Å; L607-T616 HydrophobicContact CD2-CG2 3.94Å; L607-L620 HydrophobicContact CD2-CD1 3.88Å; L607-L620 HydrophobicContact CD2-CD2 4.01Å; L607-L620 HydrophobicContact CD2-CG 4.29Å; L607-F629 HydrophobicContact CB-CD1 3.83Å; L607-F629 HydrophobicContact CB-CE1 3.81Å; L607-F629 HydrophobicContact CB-CG 4.45Å; L607-F629 HydrophobicContact CB-CZ 4.41Å; L607-F629 HydrophobicContact CD1-CE1 4.06Å; L607-F629 HydrophobicContact CD1-CE2 4.28Å; L607-F629 HydrophobicContact CD1-CZ 3.83Å; L607-N633 PolarHBondContact N-O 3.07Å; L607-I634 HydrophobicContact CB-CG1 4.29Å; L607-I634 HydrophobicContact CD2-CG2 4.3Å; L607-Y635 PolarHBondContact O-N 2.93Å
608	V	97.7	Very high	95.2	Very high	1 Å²	1	24 Å²	24	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	96.6	178.4	-171.3	0	0	0	0	109	W433 V606 Y635 K642 C645 F646	W433-V608 PolarHBondContact O-N 3.01Å; V606-V608 HydrophobicContact CG1-CG2 4.22Å; V608-Y635 WeakPolarHBondContact CA-O 3.38Å; V608-K642 HydrophobicContact CG1-CD 3.84Å; V608-K642 WeakPolarHBondContact O-CE 3.43Å; V608-C645 HydrophobicContact CG1-CB 3.32Å; V608-F646 HydrophobicContact CB-CD1 4.49Å; V608-F646 HydrophobicContact CB-CE1 4.01Å; V608-F646 HydrophobicContact CG1-CD1 4.23Å; V608-F646 HydrophobicContact CG1-CE1 3.96Å; V608-F646 HydrophobicContact CG2-CD1 4.22Å; V608-F646 HydrophobicContact CG2-CE1 4.1Å
609	T	97	Very high	95.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	154.3	-173.1	-178.4	0	0	0	0	112.9	D434 L435 L607 S611 T616 Y635 A637	D434-T609 WeakPolarHBondContact OD1-CA 3.44Å; L435-T609 HydrophobicContact CB-CG2 4.3Å; L435-T609 HydrophobicContact CD2-CG2 4.37Å; L607-T609 HydrophobicContact CD2-CG2 4.46Å; T609-S611 VanDerWaalsContact C-N 3.3Å; T609-S611 PolarHBondContact OG1-N 3.04Å; T609-S611 VanDerWaalsContact OG1-N 3.15Å; T609-T616 HydrophobicContact CG2-CG2 3.92Å; T609-Y635 PolarHBondContact N-O 2.99Å; T609-Y635 VanDerWaalsContact N-O 3.11Å; T609-A637 WeakPolarHBondContact O-CB 3.28Å; T609-A637 PolarHBondContact O-N 3.26Å
610	T	94.7	Very high	95.7	Very high	62 Å²	62	18 Å²	18	38%	0.38	10%	0.104	S	C	.	.	S	Bend	trans	-79.2	-10.6	169.5	56.7	0	0	0	0	113.3	A638 E667	T610-A638 WeakPolarHBondContact O-CB 3.48Å; T610-E667 WeakPolarHBondContact CG2-OE2 3.4Å
611	S	93.1	Very high	95.9	Very high	7 Å²	7	15.2 Å²	15.2	5%	0.049	9%	0.092	C	C	.	.	S	Bend	trans	-63.7	141.2	172.5	-87.1	0	0	0	0	112.1	D436 T609 T616 K619 C636	D436-S611 PolarHBondContact OD2-OG 2.82Å; T609-S611 VanDerWaalsContact C-N 3.3Å; T609-S611 PolarHBondContact OG1-N 3.04Å; T609-S611 VanDerWaalsContact OG1-N 3.15Å; S611-T616 VanDerWaalsContact CB-OG1 3.31Å; S611-T616 WeakPolarHBondContact CB-OG1 3.36Å; S611-T616 PolarHBondContact O-OG1 3.45Å; S611-K619 PolarHBondContact OG-NZ 3.39Å; S611-C636 PolarHBondContact O-SG 3.11Å; S611-C636 VanDerWaalsContact O-SG 3.38Å
612	P	93.6	Very high	96.3	Very high	19 Å²	19	9.8 Å²	9.8	12%	0.123	6%	0.055	C	C	.	.			trans	-55.9	149.5	171.8	-27.1	36.4	0	0	0	112.9	F276 I614 P615 T616	F276-P612 HydrophobicContact CE1-CG 4.41Å; F276-P612 HydrophobicContact CZ-CG 4.01Å; P612-I614 PolarHBondContact O-N 3.07Å; P612-P615 HydrophobicContact CB-CG 4.27Å; P612-P615 WeakPolarHBondContact O-CD 3.42Å; P612-T616 WeakPolarHBondContact O-CB 3.37Å; P612-T616 PolarHBondContact O-N 3.48Å; P612-T616 PolarHBondContact O-OG1 3.29Å
613	L	94.8	Very high	96.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-68.1	-34.8	-163.1	-169.9	61.3	0	0	0	113	Q490 Y546 T616 Y617 I634 C636	Q490-L613 HydrophobicContact CB-CD2 4.09Å; Y546-L613 HydrophobicContact CE1-CD2 4.24Å; L613-T616 WeakPolarHBondContact O-CB 3.28Å; L613-T616 PolarHBondContact O-N 2.98Å; L613-Y617 HydrophobicContact CD1-CE1 4.24Å; L613-Y617 HydrophobicContact CD1-CE2 4.33Å; L613-Y617 WeakPolarHBondContact CD1-OH 3.36Å; L613-Y617 HydrophobicContact CD2-CE2 4.46Å; L613-Y617 HydrophobicContact CG-CE2 3.83Å; L613-Y617 VanDerWaalsContact O-CD2 3.26Å; L613-Y617 WeakPolarHBondContact O-CD2 3.29Å; L613-Y617 PolarHBondContact O-N 3.04Å; L613-I634 HydrophobicContact CD1-CG2 3.9Å; L613-C636 HydrophobicContact CB-CB 3.97Å; L613-C636 HydrophobicContact CD1-CB 4.02Å; L613-C636 HydrophobicContact CG-CB 4.5Å
614	I	95.4	Very high	96.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-75.8	-48.3	-177.9	-67.4	168.4	0	0	0	112.8	F480 F482 L485 Y546 I549 P612 T616 Y617 A618	F480-I614 HydrophobicContact CB-CG2 3.55Å; F480-I614 HydrophobicContact CD2-CG2 4.36Å; F480-I614 HydrophobicContact CG-CG2 4.44Å; F482-I614 HydrophobicContact CB-CG2 3.85Å; F482-I614 HydrophobicContact CD2-CB 3.98Å; F482-I614 HydrophobicContact CD2-CD1 4.45Å; F482-I614 HydrophobicContact CD2-CG2 3.91Å; F482-I614 HydrophobicContact CG-CG2 4.25Å; L485-I614 HydrophobicContact CB-CD1 3.51Å; L485-I614 HydrophobicContact CD1-CD1 3.58Å; L485-I614 HydrophobicContact CG-CD1 4.21Å; Y546-I614 HydrophobicContact CE1-CD1 4.37Å; Y546-I614 HydrophobicContact CE1-CG1 4.29Å; I549-I614 HydrophobicContact CD1-CD1 4.2Å; I549-I614 HydrophobicContact CD1-CG1 4.16Å; P612-I614 PolarHBondContact O-N 3.07Å; I614-T616 PolarHBondContact O-N 2.89Å; I614-Y617 PolarHBondContact O-N 3.43Å; I614-A618 PolarHBondContact O-N 2.87Å
615	P	96.1	Very high	96.7	Very high	9 Å²	9	7.6 Å²	7.6	6%	0.058	5%	0.054	C	C	.	.	H	α-helix	trans	-56.3	-34.5	167	-28.4	36.1	0	0	0	113.5	I472 F482 P612 Y617 A618 K619	I472-P615 HydrophobicContact CG2-CB 4.34Å; F482-P615 HydrophobicContact CD2-CG 4.33Å; F482-P615 HydrophobicContact CE2-CG 3.85Å; F482-P615 HydrophobicContact CZ-CG 4.03Å; P612-P615 HydrophobicContact CB-CG 4.27Å; P612-P615 WeakPolarHBondContact O-CD 3.42Å; P615-Y617 PolarHBondContact O-N 3.04Å; P615-A618 PolarHBondContact O-N 3.25Å; P615-K619 WeakPolarHBondContact O-CG 3.47Å; P615-K619 PolarHBondContact O-N 3.19Å
616	T	97.6	Very high	96.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.9	-44.4	176	-66.4	0	0	0	0	112.2	L435 L607 T609 S611 P612 L613 I614 A618 K619 L620 I634	L435-T616 HydrophobicContact CD2-CG2 4.04Å; L607-T616 HydrophobicContact CD2-CG2 3.94Å; T609-T616 HydrophobicContact CG2-CG2 3.92Å; S611-T616 VanDerWaalsContact CB-OG1 3.31Å; S611-T616 WeakPolarHBondContact CB-OG1 3.36Å; S611-T616 PolarHBondContact O-OG1 3.45Å; P612-T616 WeakPolarHBondContact O-CB 3.37Å; P612-T616 PolarHBondContact O-N 3.48Å; P612-T616 PolarHBondContact O-OG1 3.29Å; L613-T616 WeakPolarHBondContact O-CB 3.28Å; L613-T616 PolarHBondContact O-N 2.98Å; I614-T616 PolarHBondContact O-N 2.89Å; T616-A618 PolarHBondContact O-N 2.8Å; T616-K619 PolarHBondContact O-N 3.48Å; T616-L620 HydrophobicContact CG2-CD1 4.18Å; T616-L620 WeakPolarHBondContact O-CG 3.31Å; T616-L620 PolarHBondContact O-N 3.42Å; T616-I634 HydrophobicContact CG2-CG2 3.77Å
617	Y	97.5	Very high	96.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.1	-40.3	174.9	-60.6	-42.2	0	0	0	112.6	I493 I549 Y553 L613 I614 P615 L620 L621 I631 I634	I493-Y617 HydrophobicContact CD1-CE2 4.39Å; I549-Y617 HydrophobicContact CG2-CD2 3.55Å; I549-Y617 HydrophobicContact CG2-CE2 3.79Å; I549-Y617 HydrophobicContact CG2-CG 4.49Å; Y553-Y617 HydrophobicContact CD2-CD1 4.04Å; Y553-Y617 HydrophobicContact CD2-CG 4.27Å; Y553-Y617 HydrophobicContact CE2-CD1 4.05Å; L613-Y617 HydrophobicContact CD1-CE1 4.24Å; L613-Y617 HydrophobicContact CD1-CE2 4.33Å; L613-Y617 WeakPolarHBondContact CD1-OH 3.36Å; L613-Y617 HydrophobicContact CD2-CE2 4.46Å; L613-Y617 HydrophobicContact CG-CE2 3.83Å; L613-Y617 VanDerWaalsContact O-CD2 3.26Å; L613-Y617 WeakPolarHBondContact O-CD2 3.29Å; L613-Y617 PolarHBondContact O-N 3.04Å; I614-Y617 PolarHBondContact O-N 3.43Å; P615-Y617 PolarHBondContact O-N 3.04Å; Y617-L620 PolarHBondContact O-N 2.86Å; Y617-L621 WeakPolarHBondContact O-CD1 3.35Å; Y617-L621 WeakPolarHBondContact O-CG 3.43Å; Y617-L621 PolarHBondContact O-N 3.1Å; Y617-I631 HydrophobicContact CD1-CD1 4.11Å; Y617-I631 HydrophobicContact CD1-CG1 4.36Å; Y617-I631 HydrophobicContact CE1-CD1 3.71Å; Y617-I631 HydrophobicContact CE1-CG1 3.62Å; Y617-I631 HydrophobicContact CE2-CD1 4.18Å; Y617-I634 HydrophobicContact CD1-CD1 3.89Å; Y617-I634 HydrophobicContact CE1-CB 4.1Å; Y617-I634 HydrophobicContact CE1-CD1 3.7Å; Y617-I634 HydrophobicContact CE1-CG2 3.88Å
618	A	97.7	Very high	96.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.3	-42	176.5	0	0	0	0	0	112.3	I472 I475 F480 I614 P615 T616 L621 L622	I472-A618 HydrophobicContact CG2-CB 4.15Å; I475-A618 HydrophobicContact CB-CB 4.04Å; I475-A618 HydrophobicContact CG2-CB 3.87Å; F480-A618 HydrophobicContact CE2-CB 4.4Å; I614-A618 PolarHBondContact O-N 2.87Å; P615-A618 PolarHBondContact O-N 3.25Å; T616-A618 PolarHBondContact O-N 2.8Å; A618-L621 PolarHBondContact O-N 3.46Å; A618-L622 WeakPolarHBondContact O-CB 3.48Å; A618-L622 WeakPolarHBondContact O-CG 3.41Å; A618-L622 PolarHBondContact O-N 2.91Å
619	K	97.9	Very high	96.5	Very high	14 Å²	14	11 Å²	11	6%	0.061	8%	0.079	C	C	.	.	H	α-helix	trans	-56.5	-52.6	172.7	-77	174.7	173.7	-171.8	0	111.7	L435 D436 I440 I472 S611 P615 T616 L621 L622 Y623	L435-K619 HydrophobicContact CD2-CB 4.12Å; L435-K619 HydrophobicContact CD2-CD 3.65Å; D436-K619 IonicContact OD1-NZ 3.47Å; D436-K619 PolarHBondContact OD1-NZ 3.3Å; D436-K619 IonicContact OD2-NZ 3.63Å; D436-K619 PolarHBondContact OD2-NZ 3.09Å; I440-K619 HydrophobicContact CD1-CB 4.02Å; I440-K619 HydrophobicContact CD1-CD 4.07Å; I440-K619 HydrophobicContact CD1-CG 4.15Å; I472-K619 HydrophobicContact CD1-CG 3.73Å; I472-K619 HydrophobicContact CG1-CG 4.16Å; I472-K619 HydrophobicContact CG2-CG 4.37Å; S611-K619 PolarHBondContact OG-NZ 3.39Å; P615-K619 WeakPolarHBondContact O-CG 3.47Å; P615-K619 PolarHBondContact O-N 3.19Å; T616-K619 PolarHBondContact O-N 3.48Å; K619-L621 VanDerWaalsContact C-N 3.31Å; K619-L621 PolarHBondContact O-N 3.24Å; K619-L622 PolarHBondContact O-N 2.79Å; K619-Y623 WeakPolarHBondContact O-CD2 3.4Å; K619-Y623 PolarHBondContact O-N 2.95Å
620	L	98.1	Very high	96.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.6	-39.7	-177.4	-70.8	170.1	0	0	0	113	L435 Y553 L607 T616 Y617 G624 I625 S626 F629 I634	L435-L620 HydrophobicContact CD1-CD2 3.81Å; L435-L620 HydrophobicContact CD1-CG 4.47Å; Y553-L620 HydrophobicContact CE2-CB 4.31Å; Y553-L620 HydrophobicContact CE2-CD1 4.4Å; L607-L620 HydrophobicContact CD2-CD1 3.88Å; L607-L620 HydrophobicContact CD2-CD2 4.01Å; L607-L620 HydrophobicContact CD2-CG 4.29Å; T616-L620 HydrophobicContact CG2-CD1 4.18Å; T616-L620 WeakPolarHBondContact O-CG 3.31Å; T616-L620 PolarHBondContact O-N 3.42Å; Y617-L620 PolarHBondContact O-N 2.86Å; L620-G624 PolarHBondContact O-N 3.32Å; L620-G624 VanDerWaalsContact O-N 3.14Å; L620-I625 HydrophobicContact CD2-CD1 3.62Å; L620-I625 HydrophobicContact CD2-CG1 3.78Å; L620-I625 PolarHBondContact O-N 2.76Å; L620-S626 PolarHBondContact O-N 3.45Å; L620-S626 VanDerWaalsContact O-N 3.13Å; L620-F629 HydrophobicContact CD2-CD2 3.95Å; L620-F629 HydrophobicContact CD2-CE2 4.36Å; L620-I634 HydrophobicContact CD1-CD1 3.31Å; L620-I634 HydrophobicContact CD1-CG1 4.07Å
621	L	97.8	Very high	96.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.9	-55.7	173.3	-71.9	163.1	0	0	0	110.9	F480 Y553 V560 L563 Y617 A618 K619 Y623 G624	F480-L621 HydrophobicContact CE2-CD1 3.9Å; F480-L621 HydrophobicContact CZ-CD1 3.54Å; Y553-L621 HydrophobicContact CD2-CD1 4.15Å; Y553-L621 HydrophobicContact CD2-CD2 4.44Å; Y553-L621 HydrophobicContact CD2-CG 4.18Å; Y553-L621 HydrophobicContact CE2-CG 4.34Å; V560-L621 HydrophobicContact CG1-CB 4.11Å; V560-L621 HydrophobicContact CG2-CB 3.8Å; V560-L621 HydrophobicContact CG2-CD2 3.67Å; V560-L621 HydrophobicContact CG2-CG 4.35Å; V560-L621 WeakPolarHBondContact CG2-O 3.49Å; L563-L621 HydrophobicContact CD2-CD1 4.4Å; Y617-L621 WeakPolarHBondContact O-CD1 3.35Å; Y617-L621 WeakPolarHBondContact O-CG 3.43Å; Y617-L621 PolarHBondContact O-N 3.1Å; A618-L621 PolarHBondContact O-N 3.46Å; K619-L621 VanDerWaalsContact C-N 3.31Å; K619-L621 PolarHBondContact O-N 3.24Å; L621-Y623 VanDerWaalsContact C-N 3.29Å; L621-Y623 PolarHBondContact O-N 3.32Å; L621-G624 PolarHBondContact O-N 3.45Å
622	L	97.7	Very high	96.5	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.1	-28.6	-175.5	-73.3	164.6	0	0	0	113.7	M468 L471 I472 I475 L564 W572 R576 A618 K619	M468-L622 HydrophobicContact SD-CB 3.87Å; M468-L622 HydrophobicContact SD-CD1 4.28Å; L471-L622 VanDerWaalsContact C-CD1 3.48Å; L471-L622 HydrophobicContact CB-CD1 3.82Å; L471-L622 HydrophobicContact CB-CD2 4.04Å; L471-L622 HydrophobicContact CD1-CD2 4.3Å; I472-L622 HydrophobicContact CB-CD1 4.24Å; I472-L622 HydrophobicContact CG1-CD1 3.59Å; I475-L622 HydrophobicContact CD1-CD1 3.98Å; I475-L622 HydrophobicContact CD1-CD2 3.79Å; I475-L622 HydrophobicContact CD1-CG 3.76Å; L564-L622 HydrophobicContact CD1-CD2 4.02Å; W572-L622 HydrophobicContact CG-CD2 4.11Å; W572-L622 PolarHBondContact NE1-O 3.21Å; R576-L622 WeakPolarHBondContact CD-O 3.25Å; A618-L622 WeakPolarHBondContact O-CB 3.48Å; A618-L622 WeakPolarHBondContact O-CG 3.41Å; A618-L622 PolarHBondContact O-N 2.91Å; K619-L622 PolarHBondContact O-N 2.79Å
623	Y	97.3	Very high	96.7	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-81.3	-24.4	172.6	-79.3	-103.9	0	0	0	112.5	I440 L441 M468 R576 H587 K619 L621	I440-Y623 HydrophobicContact CB-CD1 3.65Å; I440-Y623 HydrophobicContact CB-CD2 4.37Å; I440-Y623 HydrophobicContact CB-CE1 3.66Å; I440-Y623 HydrophobicContact CB-CE2 4.41Å; I440-Y623 HydrophobicContact CB-CG 4Å; I440-Y623 HydrophobicContact CD1-CD2 3.89Å; I440-Y623 HydrophobicContact CD1-CE2 3.76Å; I440-Y623 HydrophobicContact CD1-CG 4.33Å; I440-Y623 HydrophobicContact CG2-CD1 3.42Å; I440-Y623 VanDerWaalsContact CG2-CD1 3.42Å; I440-Y623 HydrophobicContact CG2-CD2 4.1Å; I440-Y623 HydrophobicContact CG2-CE1 4Å; I440-Y623 HydrophobicContact CG2-CG 3.45Å; I440-Y623 VanDerWaalsContact CG2-CG 3.45Å; L441-Y623 PolarHBondContact O-OH 2.9Å; M468-Y623 HydrophobicContact CE-CD2 4.44Å; M468-Y623 HydrophobicContact CE-CE2 3.99Å; M468-Y623 HydrophobicContact CG-CE2 3.78Å; M468-Y623 HydrophobicContact SD-CD2 4.4Å; M468-Y623 HydrophobicContact SD-CE2 3.88Å; R576-Y623 PolarHBondContact NE-O 3.11Å; R576-Y623 PolarHBondContact NH2-O 2.88Å; H587-Y623 PolarHBondContact CE1-O 3.29Å; H587-Y623 AromaticContact ND1-CD1 3.99Å; H587-Y623 PolarHBondContact NE2-O 3.45Å; H587-Y623 VanDerWaalsContact NE2-O 3.12Å; K619-Y623 WeakPolarHBondContact O-CD2 3.4Å; K619-Y623 PolarHBondContact O-N 2.95Å; L621-Y623 VanDerWaalsContact C-N 3.29Å; L621-Y623 PolarHBondContact O-N 3.32Å
624	G	96.1	Very high	96.8	Very high	42 Å²	42	12.6 Å²	12.6	43%	0.433	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	14.7	176.2	0	0	0	0	0	114.7	L620 L621	L620-G624 PolarHBondContact O-N 3.32Å; L620-G624 VanDerWaalsContact O-N 3.14Å; L621-G624 PolarHBondContact O-N 3.45Å
625	I	96.8	Very high	96.9	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.086	C	C	.	.			trans	-100.3	-1.1	-179	44.8	170.2	0	0	0	113.4	L435 C439 I440 V591 L594 L620 A627 L628 F629	L435-I625 HydrophobicContact CD1-CD1 4.43Å; C439-I625 HydrophobicContact CB-CD1 4.09Å; I440-I625 HydrophobicContact CG2-CD1 3.79Å; V591-I625 HydrophobicContact CG2-CG2 3.69Å; L594-I625 HydrophobicContact CD1-CB 4.32Å; L594-I625 HydrophobicContact CD1-CG2 3.93Å; L620-I625 HydrophobicContact CD2-CD1 3.62Å; L620-I625 HydrophobicContact CD2-CG1 3.78Å; L620-I625 PolarHBondContact O-N 2.76Å; I625-A627 PolarHBondContact O-N 3.24Å; I625-A627 VanDerWaalsContact O-N 3.13Å; I625-L628 HydrophobicContact CG2-CD1 4.42Å; I625-L628 PolarHBondContact O-N 2.87Å; I625-F629 HydrophobicContact CD1-CE2 4.39Å; I625-F629 PolarHBondContact O-N 3.26Å
626	S	97.1	Very high	96.9	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.007	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.7	176.8	39.9	0	0	0	0	115.1	Y553 K557 L620 L628 F629	Y553-S626 VanDerWaalsContact OH-CA 3.27Å; Y553-S626 WeakPolarHBondContact OH-CA 3.12Å; Y553-S626 PolarHBondContact OH-O 3.12Å; Y553-S626 VanDerWaalsContact OH-O 3.11Å; K557-S626 WeakPolarHBondContact CA-OG 3.32Å; K557-S626 PolarHBondContact O-OG 3.26Å; L620-S626 PolarHBondContact O-N 3.45Å; L620-S626 VanDerWaalsContact O-N 3.13Å; S626-L628 VanDerWaalsContact C-N 3.3Å; S626-F629 VanDerWaalsContact O-O 3.11Å
627	A	96.4	Very high	96.8	Very high	44 Å²	44	12.8 Å²	12.8	36%	0.364	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.6	175	0	0	0	0	0	113.3	E558 I625	E558-A627 HydrophobicContact CG-CB 3.79Å; I625-A627 PolarHBondContact O-N 3.24Å; I625-A627 VanDerWaalsContact O-N 3.13Å
628	L	96.7	Very high	96.5	Very high	32 Å²	32	14.5 Å²	14.5	17%	0.168	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-14.2	-174.9	-56.4	175.7	0	0	0	112.9	L594 I625 S626	L594-L628 HydrophobicContact CB-CB 4.22Å; L594-L628 HydrophobicContact CB-CD1 3.54Å; L594-L628 HydrophobicContact CB-CG 4.44Å; L594-L628 HydrophobicContact CD1-CD1 4.22Å; I625-L628 HydrophobicContact CG2-CD1 4.42Å; I625-L628 PolarHBondContact O-N 2.87Å; S626-L628 VanDerWaalsContact C-N 3.3Å
629	F	97	Very high	96	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-117	102.4	172.9	-68.4	-77.7	0	0	0	110.2	W433 Y553 L594 N605 L607 L620 I625 S626 I634	W433-F629 HydrophobicContact CB-CE1 4.4Å; W433-F629 HydrophobicContact CB-CZ 4.19Å; W433-F629 HydrophobicContact CG-CE1 4.4Å; W433-F629 HydrophobicContact CG-CZ 4.14Å; Y553-F629 PolarHBondContact OH-O 3.32Å; L594-F629 HydrophobicContact CD1-CE2 3.63Å; L594-F629 HydrophobicContact CD1-CZ 4.11Å; L594-F629 HydrophobicContact CD2-CE1 4.34Å; L594-F629 HydrophobicContact CD2-CE2 3.94Å; L594-F629 HydrophobicContact CD2-CZ 3.55Å; L594-F629 HydrophobicContact CG-CE2 4.46Å; N605-F629 HydrophobicContact CB-CD1 4.05Å; N605-F629 HydrophobicContact CB-CE1 3.84Å; L607-F629 HydrophobicContact CB-CD1 3.83Å; L607-F629 HydrophobicContact CB-CE1 3.81Å; L607-F629 HydrophobicContact CB-CG 4.45Å; L607-F629 HydrophobicContact CB-CZ 4.41Å; L607-F629 HydrophobicContact CD1-CE1 4.06Å; L607-F629 HydrophobicContact CD1-CE2 4.28Å; L607-F629 HydrophobicContact CD1-CZ 3.83Å; L620-F629 HydrophobicContact CD2-CD2 3.95Å; L620-F629 HydrophobicContact CD2-CE2 4.36Å; I625-F629 HydrophobicContact CD1-CE2 4.39Å; I625-F629 PolarHBondContact O-N 3.26Å; S626-F629 VanDerWaalsContact O-O 3.11Å; F629-I634 HydrophobicContact CB-CD1 4.35Å; F629-I634 HydrophobicContact CB-CG1 4.29Å
630	P	95.6	Very high	95.7	Very high	59 Å²	59	22.5 Å²	22.5	38%	0.383	14%	0.136	S	C	.	.			trans	-52.3	143.8	166.3	-24.7	34.4	0	0	0	110.6	E632 N633	P630-E632 PolarHBondContact O-N 3.19Å; P630-N633 HydrophobicContact CB-CB 4.33Å; P630-N633 WeakPolarHBondContact O-CA 3.28Å; P630-N633 WeakPolarHBondContact O-CB 3.28Å; P630-N633 PolarHBondContact O-N 3.33Å
631	I	95.7	Very high	95.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-66	-28.4	-173.7	-175.1	155	0	0	0	113.2	I493 R550 Y553 Y617 N633 I634	I493-I631 HydrophobicContact CB-CG1 4.39Å; I493-I631 HydrophobicContact CD1-CD1 4.38Å; I493-I631 HydrophobicContact CG1-CD1 4.28Å; I493-I631 HydrophobicContact CG1-CG1 4.1Å; I493-I631 HydrophobicContact CG2-CG1 4.44Å; R550-I631 HydrophobicContact CB-CD1 4.5Å; R550-I631 HydrophobicContact CG-CD1 4.3Å; R550-I631 HydrophobicContact CG-CG2 3.64Å; Y553-I631 HydrophobicContact CD1-CB 3.68Å; Y553-I631 HydrophobicContact CD1-CD1 3.95Å; Y553-I631 HydrophobicContact CD1-CG1 4.31Å; Y553-I631 HydrophobicContact CD1-CG2 4.39Å; Y553-I631 HydrophobicContact CD2-CD1 4.39Å; Y553-I631 HydrophobicContact CE1-CB 3.87Å; Y553-I631 HydrophobicContact CG-CB 4.37Å; Y553-I631 HydrophobicContact CG-CD1 3.76Å; Y617-I631 HydrophobicContact CD1-CD1 4.11Å; Y617-I631 HydrophobicContact CD1-CG1 4.36Å; Y617-I631 HydrophobicContact CE1-CD1 3.71Å; Y617-I631 HydrophobicContact CE1-CG1 3.62Å; Y617-I631 HydrophobicContact CE2-CD1 4.18Å; I631-N633 PolarHBondContact O-N 2.93Å; I631-I634 PolarHBondContact O-N 2.85Å
632	E	94.3	Very high	95.4	Very high	50 Å²	50	23.7 Å²	23.7	23%	0.234	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-68.2	-16.1	171.4	-59.1	71.1	-156.3	0	0	112.2	H492 R550 P630 R652	H492-E632 WeakPolarHBondContact NE2-CA 3.23Å; H492-E632 CovalentContact NE2-O 1.79Å; H492-E632 PolarHBondContact NE2-O 3.36Å; R550-E632 IonicContact NH1-OE1 3.79Å; P630-E632 PolarHBondContact O-N 3.19Å; E632-R652 PolarHBondContact O-NH1 2.88Å
633	N	96.5	Very high	95.2	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.064	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-97.6	13.9	-179.4	-67.8	13	0	0	0	113	N605 V606 L607 P630 I631 R652 Y653	N605-N633 PolarHBondContact O-ND2 3.11Å; V606-N633 WeakPolarHBondContact CA-O 3.42Å; V606-N633 WeakPolarHBondContact CG1-O 3.48Å; V606-N633 HydrophobicContact CG2-CB 4.25Å; L607-N633 PolarHBondContact N-O 3.07Å; P630-N633 HydrophobicContact CB-CB 4.33Å; P630-N633 WeakPolarHBondContact O-CA 3.28Å; P630-N633 WeakPolarHBondContact O-CB 3.28Å; P630-N633 PolarHBondContact O-N 3.33Å; I631-N633 PolarHBondContact O-N 2.93Å; N633-R652 PolarHBondContact OD1-NH2 3.21Å; N633-Y653 PolarHBondContact ND2-OH 3.42Å; N633-Y653 PolarHBondContact OD1-OH 3.06Å
634	I	97.4	Very high	95	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.1	-178.5	-62.7	166.2	0	0	0	109.7	H492 Y553 L607 L613 T616 Y617 L620 F629 I631	H492-I634 PolarHBondContact CD2-O 3.36Å; Y553-I634 HydrophobicContact CE2-CD1 4.38Å; L607-I634 HydrophobicContact CB-CG1 4.29Å; L607-I634 HydrophobicContact CD2-CG2 4.3Å; L613-I634 HydrophobicContact CD1-CG2 3.9Å; T616-I634 HydrophobicContact CG2-CG2 3.77Å; Y617-I634 HydrophobicContact CD1-CD1 3.89Å; Y617-I634 HydrophobicContact CE1-CB 4.1Å; Y617-I634 HydrophobicContact CE1-CD1 3.7Å; Y617-I634 HydrophobicContact CE1-CG2 3.88Å; L620-I634 HydrophobicContact CD1-CD1 3.31Å; L620-I634 HydrophobicContact CD1-CG1 4.07Å; F629-I634 HydrophobicContact CB-CD1 4.35Å; F629-I634 HydrophobicContact CB-CG1 4.29Å; I631-I634 PolarHBondContact O-N 2.85Å
635	Y	97.5	Very high	95	Very high	8 Å²	8	27 Å²	27	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.7	-178.2	-61.1	-98.8	0	0	0	110.9	A491 H492 V606 L607 V608 T609 V649 R652	A491-Y635 WeakPolarHBondContact O-CA 3.29Å; H492-Y635 HydrophobicContact CB-CD1 4.35Å; H492-Y635 HydrophobicContact CB-CE1 4.5Å; H492-Y635 AromaticContact CD2-CD1 3.6Å; H492-Y635 AromaticContact CD2-CE1 3.35Å; H492-Y635 WeakPolarHBondContact CD2-CE1 3.49Å; H492-Y635 AromaticContact CD2-CZ 3.69Å; H492-Y635 AromaticContact NE2-CE2 3.98Å; H492-Y635 AromaticContact NE2-CZ 3.62Å; V606-Y635 HydrophobicContact CG1-CD2 3.84Å; V606-Y635 HydrophobicContact CG1-CE2 3.78Å; L607-Y635 PolarHBondContact O-N 2.93Å; V608-Y635 WeakPolarHBondContact CA-O 3.38Å; T609-Y635 PolarHBondContact N-O 2.99Å; T609-Y635 VanDerWaalsContact N-O 3.11Å; Y635-V649 HydrophobicContact CD1-CG2 4.49Å; Y635-V649 HydrophobicContact CD2-CG2 3.9Å; Y635-V649 HydrophobicContact CE1-CG2 4.2Å; Y635-V649 HydrophobicContact CE2-CG2 3.59Å; Y635-V649 HydrophobicContact CG-CG2 4.36Å; Y635-R652 PolarHBondContact OH-NH1 3.01Å
636	C	96.2	Very high	94.9	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.8	173.9	171.4	0	0	0	0	109.8	Q490 A491 S611 L613 A638	Q490-C636 WeakPolarHBondContact O-CB 3.43Å; A491-C636 WeakPolarHBondContact CA-O 3.47Å; A491-C636 PolarHBondContact O-N 3.03Å; S611-C636 PolarHBondContact O-SG 3.11Å; S611-C636 VanDerWaalsContact O-SG 3.38Å; L613-C636 HydrophobicContact CB-CB 3.97Å; L613-C636 HydrophobicContact CD1-CB 4.02Å; L613-C636 HydrophobicContact CG-CB 4.5Å; C636-A638 VanDerWaalsContact SG-CB 3.56Å
637	A	95.6	Very high	94.8	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.025	18%	0.183	C	C	.	.			trans	-81.8	-13.5	179	0	0	0	0	0	113.4	T609 K639 I640 G641 K642	T609-A637 WeakPolarHBondContact O-CB 3.28Å; T609-A637 PolarHBondContact O-N 3.26Å; A637-K639 PolarHBondContact O-N 3.07Å; A637-I640 PolarHBondContact O-N 3.28Å; A637-G641 PolarHBondContact O-N 2.96Å; A637-K642 HydrophobicContact CB-CD 4.08Å; A637-K642 HydrophobicContact CB-CG 4.46Å
638	A	90.7	Very high	94.7	Very high	36 Å²	36	34.9 Å²	34.9	30%	0.298	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.1	-168.2	0	0	0	0	0	116.3	T610 C636	T610-A638 WeakPolarHBondContact O-CB 3.48Å; C636-A638 VanDerWaalsContact SG-CB 3.56Å
639	K	88.6	Confident	94.6	Very high	118 Å²	118	33.4 Å²	33.4	51%	0.513	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-13.8	178.5	-67.7	-176.2	177.1	178.8	0	114.8	D489 A637	D489-K639 HydrophobicContact CB-CD 4.45Å; D489-K639 VanDerWaalsContact CB-CE 3.49Å; D489-K639 PolarHBondContact O-NZ 3.37Å; A637-K639 PolarHBondContact O-N 3.07Å
640	I	91.3	Very high	94.4	Very high	63 Å²	63	34.2 Å²	34.2	32%	0.323	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-9.8	-171.5	65.2	172.4	0	0	0	115.4	A491 A637 A644	A491-I640 HydrophobicContact CB-CD1 3.8Å; A491-I640 HydrophobicContact CB-CG1 4.34Å; A637-I640 PolarHBondContact O-N 3.28Å; I640-A644 HydrophobicContact CB-CB 4.09Å; I640-A644 HydrophobicContact CD1-CB 4.2Å; I640-A644 HydrophobicContact CG1-CB 4.22Å; I640-A644 VanDerWaalsContact O-CB 3.28Å; I640-A644 WeakPolarHBondContact O-CB 3.49Å
641	G	93.3	Very high	94.2	Very high	23 Å²	23	36.6 Å²	36.6	24%	0.237	19%	0.185	C	C	.	.	H	α-helix	trans	81.1	153.5	-177.6	0	0	0	0	0	114.1	A637 E643 A644 C645	A637-G641 PolarHBondContact O-N 2.96Å; G641-E643 VanDerWaalsContact C-N 3.26Å; G641-E643 PolarHBondContact O-N 3.18Å; G641-A644 PolarHBondContact O-N 3.49Å; G641-C645 PolarHBondContact O-N 3.34Å
642	K	94.8	Very high	94.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-53.3	-41.9	178	-69	-68.2	-178.4	81.5	0	112.5	D434 V608 A637 A644 C645 F646 E667 E668 A671	D434-K642 WeakPolarHBondContact OD1-CE 3.36Å; D434-K642 IonicContact OD1-NZ 2.83Å; D434-K642 PolarHBondContact OD1-NZ 2.71Å; V608-K642 HydrophobicContact CG1-CD 3.84Å; V608-K642 WeakPolarHBondContact O-CE 3.43Å; A637-K642 HydrophobicContact CB-CD 4.08Å; A637-K642 HydrophobicContact CB-CG 4.46Å; K642-A644 PolarHBondContact O-N 2.92Å; K642-C645 WeakPolarHBondContact O-CB 3.49Å; K642-C645 PolarHBondContact O-N 3.14Å; K642-F646 HydrophobicContact CB-CE2 4.46Å; K642-F646 HydrophobicContact CB-CZ 4.24Å; K642-F646 WeakPolarHBondContact O-CD1 3.4Å; K642-F646 VanDerWaalsContact O-CG 3.32Å; K642-F646 WeakPolarHBondContact O-CG 3.16Å; K642-F646 PolarHBondContact O-N 2.38Å; K642-E667 HydrophobicContact CB-CG 4.18Å; K642-E667 HydrophobicContact CG-CB 4.16Å; K642-E667 HydrophobicContact CG-CG 3.71Å; K642-E667 WeakPolarHBondContact CG-OE1 3.29Å; K642-E667 PolarHBondContact N-OE1 3.48Å; K642-E668 HydrophobicContact CG-CB 4.4Å; K642-E668 IonicContact NZ-OE1 3.54Å; K642-E668 PolarHBondContact NZ-OE1 2.83Å; K642-E668 IonicContact NZ-OE2 2.69Å; K642-E668 PolarHBondContact NZ-OE2 3.39Å; K642-A671 HydrophobicContact CB-CB 3.74Å
643	E	94	Very high	94	Very high	82 Å²	82	36.3 Å²	36.3	38%	0.383	18%	0.182	S	C	.	.	H	α-helix	trans	-55.8	-51.2	-179.3	-175.6	175.6	-155.4	0	0	112.5	G641 C645 F646 E647 A671 Q674 V675	G641-E643 VanDerWaalsContact C-N 3.26Å; G641-E643 PolarHBondContact O-N 3.18Å; E643-C645 VanDerWaalsContact C-N 3.31Å; E643-C645 PolarHBondContact O-N 3.24Å; E643-F646 PolarHBondContact O-N 2.94Å; E643-F646 VanDerWaalsContact O-N 3.15Å; E643-E647 PolarHBondContact O-N 3.39Å; E643-A671 HydrophobicContact CB-CB 4.07Å; E643-Q674 WeakPolarHBondContact OE1-CB 3.27Å; E643-Q674 PolarHBondContact OE1-NE2 2.85Å; E643-Q674 PolarHBondContact OE2-NE2 3.49Å; E643-V675 HydrophobicContact CG-CG2 4Å
644	A	94.3	Very high	93.7	Very high	33 Å²	33	36.9 Å²	36.9	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-68.1	-29.8	179.4	0	0	0	0	0	112.9	I640 G641 K642 R648	I640-A644 HydrophobicContact CB-CB 4.09Å; I640-A644 HydrophobicContact CD1-CB 4.2Å; I640-A644 HydrophobicContact CG1-CB 4.22Å; I640-A644 VanDerWaalsContact O-CB 3.28Å; I640-A644 WeakPolarHBondContact O-CB 3.49Å; G641-A644 PolarHBondContact O-N 3.49Å; K642-A644 PolarHBondContact O-N 2.92Å; A644-R648 WeakPolarHBondContact O-CG 3.24Å; A644-R648 PolarHBondContact O-N 3.32Å; A644-R648 VanDerWaalsContact O-N 3.1Å
645	C	95.7	Very high	93.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-45	169.7	-71.1	0	0	0	0	111.5	V608 G641 K642 E643 E647 R648 V649	V608-C645 HydrophobicContact CG1-CB 3.32Å; G641-C645 PolarHBondContact O-N 3.34Å; K642-C645 WeakPolarHBondContact O-CB 3.49Å; K642-C645 PolarHBondContact O-N 3.14Å; E643-C645 VanDerWaalsContact C-N 3.31Å; E643-C645 PolarHBondContact O-N 3.24Å; C645-E647 VanDerWaalsContact C-N 3.35Å; C645-E647 PolarHBondContact O-N 3.17Å; C645-R648 WeakPolarHBondContact O-CB 3.21Å; C645-R648 PolarHBondContact O-N 3.1Å; C645-V649 WeakPolarHBondContact O-CG2 3.42Å; C645-V649 PolarHBondContact O-N 2.98Å
646	F	95.4	Very high	92.8	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.013	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-43.6	177	-64	-10	0	0	0	111.1	L432 V608 K642 E643 R648 V649 M650 V661 E668 A671 V675	L432-F646 HydrophobicContact CB-CE1 4.25Å; L432-F646 HydrophobicContact CD1-CD1 3.88Å; L432-F646 HydrophobicContact CD1-CE1 4.2Å; L432-F646 HydrophobicContact CD1-CG 4.15Å; V608-F646 HydrophobicContact CB-CD1 4.49Å; V608-F646 HydrophobicContact CB-CE1 4.01Å; V608-F646 HydrophobicContact CG1-CD1 4.23Å; V608-F646 HydrophobicContact CG1-CE1 3.96Å; V608-F646 HydrophobicContact CG2-CD1 4.22Å; V608-F646 HydrophobicContact CG2-CE1 4.1Å; K642-F646 HydrophobicContact CB-CE2 4.46Å; K642-F646 HydrophobicContact CB-CZ 4.24Å; K642-F646 WeakPolarHBondContact O-CD1 3.4Å; K642-F646 VanDerWaalsContact O-CG 3.32Å; K642-F646 WeakPolarHBondContact O-CG 3.16Å; K642-F646 PolarHBondContact O-N 2.38Å; E643-F646 PolarHBondContact O-N 2.94Å; E643-F646 VanDerWaalsContact O-N 3.15Å; F646-R648 PolarHBondContact O-N 3.08Å; F646-V649 PolarHBondContact O-N 2.79Å; F646-M650 WeakPolarHBondContact O-CG 3.46Å; F646-M650 PolarHBondContact O-N 2.68Å; F646-V661 HydrophobicContact CD2-CG2 4.38Å; F646-V661 HydrophobicContact CE2-CG1 4.09Å; F646-V661 HydrophobicContact CE2-CG2 3.78Å; F646-V661 HydrophobicContact CZ-CG1 3.71Å; F646-V661 HydrophobicContact CZ-CG2 3.89Å; F646-E668 HydrophobicContact CZ-CB 4.07Å; F646-A671 HydrophobicContact CD2-CB 3.87Å; F646-A671 HydrophobicContact CE2-CB 3.61Å; F646-V675 HydrophobicContact CB-CG1 4.47Å; F646-V675 HydrophobicContact CB-CG2 4.21Å; F646-V675 HydrophobicContact CD2-CG2 4.48Å
647	E	93.7	Very high	92.5	Very high	109 Å²	109	55 Å²	55	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-58.2	-45.3	172.8	-73.2	-154.1	127	0	0	112.8	E643 C645 V649 M650 H651	E643-E647 PolarHBondContact O-N 3.39Å; C645-E647 VanDerWaalsContact C-N 3.35Å; C645-E647 PolarHBondContact O-N 3.17Å; E647-V649 VanDerWaalsContact C-N 3.33Å; E647-V649 PolarHBondContact O-N 3Å; E647-M650 PolarHBondContact O-N 3.03Å; E647-H651 PolarHBondContact O-N 2.7Å; E647-H651 PolarHBondContact O-ND1 3.37Å
648	R	94.3	Very high	92.3	Very high	98 Å²	98	57.4 Å²	57.4	37%	0.37	28%	0.28	S	S	.	.	H	α-helix	trans	-58.4	-44.5	176.3	-78.5	178.2	174.3	-138.3	4.9	111.4	D495 A644 C645 F646 H651 R652	D495-R648 IonicContact OD1-CZ 3.03Å; D495-R648 IonicContact OD1-NH1 3.54Å; D495-R648 PolarHBondContact OD1-NH1 3.23Å; D495-R648 IonicContact OD1-NH2 2.7Å; D495-R648 IonicContact OD2-NH1 3.53Å; D495-R648 PolarHBondContact OD2-NH1 3.31Å; A644-R648 WeakPolarHBondContact O-CG 3.24Å; A644-R648 PolarHBondContact O-N 3.32Å; A644-R648 VanDerWaalsContact O-N 3.1Å; C645-R648 WeakPolarHBondContact O-CB 3.21Å; C645-R648 PolarHBondContact O-N 3.1Å; F646-R648 PolarHBondContact O-N 3.08Å; R648-H651 PolarHBondContact O-N 3.16Å; R648-R652 PolarHBondContact O-N 1.79Å
649	V	94.6	Very high	92.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.3	-43.7	178.4	179.5	0	0	0	0	111	I430 L432 V606 Y635 C645 F646 E647 H651 R652 Y653 Y659	I430-V649 HydrophobicContact CG2-CG1 4.34Å; L432-V649 HydrophobicContact CD2-CB 4.38Å; L432-V649 HydrophobicContact CD2-CG1 3.75Å; V606-V649 HydrophobicContact CG1-CG1 4.2Å; V606-V649 HydrophobicContact CG1-CG2 3.91Å; V606-V649 HydrophobicContact CG2-CG1 4.43Å; Y635-V649 HydrophobicContact CD1-CG2 4.49Å; Y635-V649 HydrophobicContact CD2-CG2 3.9Å; Y635-V649 HydrophobicContact CE1-CG2 4.2Å; Y635-V649 HydrophobicContact CE2-CG2 3.59Å; Y635-V649 HydrophobicContact CG-CG2 4.36Å; C645-V649 WeakPolarHBondContact O-CG2 3.42Å; C645-V649 PolarHBondContact O-N 2.98Å; F646-V649 PolarHBondContact O-N 2.79Å; E647-V649 VanDerWaalsContact C-N 3.33Å; E647-V649 PolarHBondContact O-N 3Å; V649-H651 VanDerWaalsContact C-N 3.3Å; V649-H651 PolarHBondContact O-N 3.17Å; V649-R652 PolarHBondContact O-N 2.83Å; V649-R652 VanDerWaalsContact O-N 3.07Å; V649-Y653 HydrophobicContact CG1-CD2 3.67Å; V649-Y653 HydrophobicContact CG1-CE2 4Å; V649-Y653 PolarHBondContact O-N 3.44Å; V649-Y659 HydrophobicContact CG1-CE1 4.31Å
650	M	93	Very high	92.9	Very high	17 Å²	17	50.4 Å²	50.4	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-64.1	-31.1	176.1	-71	-173	79.8	0	0	113.6	F646 E647 R652 G654 Y659 V675 S676 Q677	F646-M650 WeakPolarHBondContact O-CG 3.46Å; F646-M650 PolarHBondContact O-N 2.68Å; E647-M650 PolarHBondContact O-N 3.03Å; M650-R652 VanDerWaalsContact C-N 3.34Å; M650-G654 CarbonylContact O-C 3.58Å; M650-G654 WeakPolarHBondContact O-CA 3.39Å; M650-G654 PolarHBondContact O-N 2.9Å; M650-Y659 HydrophobicContact CE-CD2 3.97Å; M650-Y659 HydrophobicContact CE-CE2 3.88Å; M650-Y659 HydrophobicContact CG-CD1 4.13Å; M650-Y659 HydrophobicContact CG-CD2 4.15Å; M650-Y659 HydrophobicContact CG-CE1 3.85Å; M650-Y659 HydrophobicContact CG-CE2 3.88Å; M650-Y659 HydrophobicContact CG-CG 4.29Å; M650-Y659 HydrophobicContact SD-CD2 4.48Å; M650-V675 HydrophobicContact SD-CG1 3.28Å; M650-V675 WeakPolarHBondContact SD-CG1 3.27Å; M650-S676 WeakPolarHBondContact CE-O 3.33Å; M650-Q677 HydrophobicContact CE-CB 3.98Å; M650-Q677 HydrophobicContact CE-CG 4.29Å; M650-Q677 VanDerWaalsContact CE-OE1 3.3Å
651	H	91.5	Very high	93.1	Very high	109 Å²	109	47.5 Å²	47.5	51%	0.505	23%	0.228	S	C	.	.	H	α-helix	trans	-72.4	-26	172.9	-77.8	91.4	0	0	0	113.1	E647 R648 V649	E647-H651 PolarHBondContact O-N 2.7Å; E647-H651 PolarHBondContact O-ND1 3.37Å; R648-H651 PolarHBondContact O-N 3.16Å; V649-H651 VanDerWaalsContact C-N 3.3Å; V649-H651 PolarHBondContact O-N 3.17Å
652	R	92.5	Very high	93.3	Very high	20 Å²	20	46.5 Å²	46.5	8%	0.075	22%	0.218	C	C	.	.	H	α-helix	trans	-82.4	-46.2	176.9	178.2	-179	173.7	-176.6	-21.7	113.4	I419 S420 P423 H492 E632 N633 Y635 R648 V649 M650	I419-R652 HydrophobicContact CG2-CB 4.45Å; S420-R652 WeakPolarHBondContact OG-CD 3.39Å; S420-R652 VanDerWaalsContact OG-CZ 3.31Å; S420-R652 PolarHBondContact OG-NE 2.97Å; S420-R652 VanDerWaalsContact OG-NE 3.16Å; S420-R652 PolarHBondContact OG-NH1 3.5Å; S420-R652 VanDerWaalsContact OG-NH1 3.08Å; P423-R652 HydrophobicContact CG-CG 4.46Å; H492-R652 PolarHBondContact NE2-NH1 3.26Å; E632-R652 PolarHBondContact O-NH1 2.88Å; N633-R652 PolarHBondContact OD1-NH2 3.21Å; Y635-R652 PolarHBondContact OH-NH1 3.01Å; R648-R652 PolarHBondContact O-N 1.79Å; V649-R652 PolarHBondContact O-N 2.83Å; V649-R652 VanDerWaalsContact O-N 3.07Å; M650-R652 VanDerWaalsContact C-N 3.34Å
653	Y	92.5	Very high	93.3	Very high	24 Å²	24	46.5 Å²	46.5	9%	0.094	22%	0.218	C	C	.	.	H	α-helix	trans	-90	-22.9	-177.8	-73.7	-87.3	0	0	0	113.1	P423 Y427 I430 A604 V606 N633 V649 Y659	P423-Y653 HydrophobicContact CB-CE1 4.34Å; P423-Y653 HydrophobicContact CG-CD1 3.67Å; P423-Y653 HydrophobicContact CG-CE1 3.54Å; P423-Y653 HydrophobicContact CG-CG 4.34Å; Y427-Y653 HydrophobicContact CD1-CE1 4.5Å; Y427-Y653 AromaticContact CD2-CD1 3.6Å; Y427-Y653 HydrophobicContact CD2-CD1 3.6Å; Y427-Y653 AromaticContact CD2-CE1 3.8Å; Y427-Y653 HydrophobicContact CD2-CE1 3.8Å; Y427-Y653 HydrophobicContact CE1-CE1 4.43Å; Y427-Y653 AromaticContact CE2-CD1 3.97Å; Y427-Y653 HydrophobicContact CE2-CD1 3.97Å; Y427-Y653 AromaticContact CE2-CE1 3.71Å; Y427-Y653 HydrophobicContact CE2-CE1 3.71Å; Y427-Y653 AromaticContact CG-CD1 4Å; Y427-Y653 HydrophobicContact CG-CD1 4Å; Y427-Y653 HydrophobicContact CG-CE1 4.21Å; I430-Y653 HydrophobicContact CD1-CD1 3.36Å; I430-Y653 HydrophobicContact CD1-CD2 4.44Å; I430-Y653 HydrophobicContact CD1-CE1 3.71Å; I430-Y653 HydrophobicContact CD1-CG 3.76Å; I430-Y653 HydrophobicContact CG1-CD1 4.19Å; I430-Y653 HydrophobicContact CG1-CG 4.09Å; A604-Y653 HydrophobicContact CB-CE1 4.16Å; V606-Y653 HydrophobicContact CG2-CE2 3.96Å; N633-Y653 PolarHBondContact ND2-OH 3.42Å; N633-Y653 PolarHBondContact OD1-OH 3.06Å; V649-Y653 HydrophobicContact CG1-CD2 3.67Å; V649-Y653 HydrophobicContact CG1-CE2 4Å; V649-Y653 PolarHBondContact O-N 3.44Å; Y653-Y659 WeakPolarHBondContact CB-OH 3.35Å
654	G	90.6	Very high	93.2	Very high	24 Å²	24	44.2 Å²	44.2	25%	0.247	21%	0.208	C	C	.	.			trans	91.6	159.7	174.8	0	0	0	0	0	114.6	M650 K656 Y659	M650-G654 CarbonylContact O-C 3.58Å; M650-G654 WeakPolarHBondContact O-CA 3.39Å; M650-G654 PolarHBondContact O-N 2.9Å; G654-K656 PolarHBondContact O-N 2.74Å; G654-Y659 PolarHBondContact O-OH 3.32Å
655	R	87.7	Confident	93	Very high	180 Å²	180	43.4 Å²	43.4	68%	0.679	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	15.1	-172.9	-57.6	-177.4	-171.6	-177.4	-0.8	115	Q677	R655-Q677 PolarHBondContact O-NE2 2.91Å
656	K	88.1	Confident	92.8	Very high	204 Å²	204	52.9 Å²	52.9	89%	0.887	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-24.5	177.1	-70.1	-172.5	178.6	-177.9	0	112.9	G654	G654-K656 PolarHBondContact O-N 2.74Å
657	C	90.4	Very high	92.6	Very high	6 Å²	6	57 Å²	57	4%	0.041	26%	0.259	C	S	.	.	S	Bend	trans	-76.9	152.8	-180	-44.5	0	0	0	0	111.1	Y427 E428 I430 Y659	Y427-C657 PolarHBondContact O-SG 2.83Å; E428-C657 CarbonylContact O-C 3.55Å; E428-C657 WeakPolarHBondContact O-CA 3.45Å; I430-C657 HydrophobicContact CG1-CB 3.93Å; C657-Y659 HydrophobicContact CB-CE2 3.88Å; C657-Y659 WeakPolarHBondContact O-CD2 3.42Å; C657-Y659 VanDerWaalsContact O-CE2 3.3Å; C657-Y659 WeakPolarHBondContact O-CE2 3.4Å
658	T	92	Very high	92.6	Very high	54 Å²	54	52.2 Å²	52.2	33%	0.331	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	129.7	163.8	-58.6	0	0	0	0	109	E428 R429 I430	E428-T658 PolarHBondContact O-N 3.07Å; R429-T658 CarbonylContact C-O 3.54Å; R429-T658 VanDerWaalsContact CA-O 3.29Å; R429-T658 WeakPolarHBondContact CA-O 3.3Å; I430-T658 PolarHBondContact N-O 2.86Å
659	Y	95.2	Very high	92.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.8	179.1	-66	-93.9	0	0	0	109.8	I430 L432 V649 M650 Y653 G654 C657 Q677 T678 V679	I430-Y659 HydrophobicContact CB-CD1 3.71Å; I430-Y659 HydrophobicContact CB-CE1 3.77Å; I430-Y659 HydrophobicContact CG1-CD1 4.12Å; I430-Y659 HydrophobicContact CG1-CE1 3.67Å; I430-Y659 HydrophobicContact CG2-CD1 4.16Å; I430-Y659 HydrophobicContact CG2-CE1 4.16Å; I430-Y659 WeakPolarHBondContact O-CA 3.43Å; L432-Y659 HydrophobicContact CD1-CD1 4.07Å; L432-Y659 HydrophobicContact CD2-CD1 4.4Å; L432-Y659 HydrophobicContact CG-CD1 4.41Å; V649-Y659 HydrophobicContact CG1-CE1 4.31Å; M650-Y659 HydrophobicContact CE-CD2 3.97Å; M650-Y659 HydrophobicContact CE-CE2 3.88Å; M650-Y659 HydrophobicContact CG-CD1 4.13Å; M650-Y659 HydrophobicContact CG-CD2 4.15Å; M650-Y659 HydrophobicContact CG-CE1 3.85Å; M650-Y659 HydrophobicContact CG-CE2 3.88Å; M650-Y659 HydrophobicContact CG-CG 4.29Å; M650-Y659 HydrophobicContact SD-CD2 4.48Å; Y653-Y659 WeakPolarHBondContact CB-OH 3.35Å; G654-Y659 PolarHBondContact O-OH 3.32Å; C657-Y659 HydrophobicContact CB-CE2 3.88Å; C657-Y659 WeakPolarHBondContact O-CD2 3.42Å; C657-Y659 VanDerWaalsContact O-CE2 3.3Å; C657-Y659 WeakPolarHBondContact O-CE2 3.4Å; Y659-Q677 PolarHBondContact N-O 2.89Å; Y659-T678 CarbonylContact O-C 3.6Å; Y659-T678 VanDerWaalsContact O-CA 3.28Å; Y659-T678 WeakPolarHBondContact O-CA 3.35Å; Y659-V679 PolarHBondContact O-N 3.02Å
660	V	95.4	Very high	92.5	Very high	8 Å²	8	53.4 Å²	53.4	5%	0.048	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111	178.6	-177.2	0	0	0	0	108	R429 I430 F431 L432 V662 V679 V681	R429-V660 HydrophobicContact CG-CG2 3.92Å; I430-V660 PolarHBondContact O-N 3.39Å; F431-V660 CarbonylContact C-O 3.39Å; F431-V660 WeakPolarHBondContact CA-O 3.33Å; F431-V660 HydrophobicContact CD1-CB 3.85Å; F431-V660 HydrophobicContact CD1-CG1 3.97Å; F431-V660 HydrophobicContact CD1-CG2 4.44Å; F431-V660 HydrophobicContact CE1-CB 4.14Å; F431-V660 HydrophobicContact CE1-CG1 4.14Å; F431-V660 HydrophobicContact CE1-CG2 4.29Å; F431-V660 HydrophobicContact CG-CB 4.45Å; L432-V660 PolarHBondContact N-O 2.95Å; V660-V662 HydrophobicContact CG1-CG2 4.13Å; V660-V679 CarbonylContact C-O 3.55Å; V660-V679 WeakPolarHBondContact CA-O 3.44Å; V660-V681 HydrophobicContact CG1-CB 4.41Å; V660-V681 HydrophobicContact CG1-CG2 3.54Å
661	V	96.6	Very high	92.5	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	128.7	176	-179.1	0	0	0	0	108.6	L432 F646 E668 A672 T678 V679 F680 V681	L432-V661 HydrophobicContact CB-CG2 4.13Å; L432-V661 HydrophobicContact CD1-CG2 3.85Å; L432-V661 HydrophobicContact CG-CG2 4.48Å; L432-V661 WeakPolarHBondContact O-CA 3.42Å; F646-V661 HydrophobicContact CD2-CG2 4.38Å; F646-V661 HydrophobicContact CE2-CG1 4.09Å; F646-V661 HydrophobicContact CE2-CG2 3.78Å; F646-V661 HydrophobicContact CZ-CG1 3.71Å; F646-V661 HydrophobicContact CZ-CG2 3.89Å; V661-E668 HydrophobicContact CG1-CB 3.85Å; V661-E668 HydrophobicContact CG1-CG 4.42Å; V661-A672 HydrophobicContact CB-CB 4.17Å; V661-A672 HydrophobicContact CG1-CB 4.43Å; V661-A672 HydrophobicContact CG2-CB 3.99Å; V661-T678 HydrophobicContact CG2-CG2 4.27Å; V661-V679 PolarHBondContact N-O 3.12Å; V661-F680 HydrophobicContact CB-CD2 4.02Å; V661-F680 HydrophobicContact CG1-CD2 3.7Å; V661-F680 HydrophobicContact CG1-CE2 4Å; V661-F680 WeakPolarHBondContact O-CA 3.34Å; V661-V681 PolarHBondContact O-N 2.75Å
662	V	96	Very high	92.5	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.6	179.5	-169.2	0	0	0	0	108.3	L29 L432 W433 D434 T438 V660 V681	L29-V662 HydrophobicContact CD1-CG1 3.9Å; L432-V662 PolarHBondContact O-N 3.18Å; W433-V662 WeakPolarHBondContact CA-O 3.3Å; W433-V662 HydrophobicContact CD2-CB 4.19Å; W433-V662 HydrophobicContact CD2-CG2 4.46Å; W433-V662 HydrophobicContact CE3-CB 3.81Å; W433-V662 HydrophobicContact CE3-CG1 3.78Å; W433-V662 HydrophobicContact CE3-CG2 4.42Å; W433-V662 HydrophobicContact CH2-CG1 4.32Å; W433-V662 HydrophobicContact CZ3-CB 4.11Å; W433-V662 HydrophobicContact CZ3-CG1 3.63Å; D434-V662 PolarHBondContact N-O 2.99Å; T438-V662 HydrophobicContact CG2-CG1 4.45Å; V660-V662 HydrophobicContact CG1-CG2 4.13Å; V662-V681 HydrophobicContact CG2-CB 4.27Å
663	G	94.7	Very high	92.5	Very high	2 Å²	2	54.1 Å²	54.1	2%	0.021	25%	0.254	C	S	.	.			trans	-170.8	159	179.4	0	0	0	0	0	112.7	T438 F680	T438-G663 VanDerWaalsContact OG1-CA 3.28Å; T438-G663 WeakPolarHBondContact OG1-CA 3.34Å; G663-F680 VanDerWaalsContact O-CZ 3.24Å; G663-F680 WeakPolarHBondContact O-CZ 3.37Å
664	D	92.3	Very high	92.3	Very high	33 Å²	33	57.8 Å²	57.8	18%	0.176	27%	0.271	C	S	.	.	S	Bend	trans	-81.1	-32.1	164.4	65.4	-69.2	0	0	0	111.4	L29 N33 T438	L29-D664 HydrophobicContact CD2-CB 4.13Å; N33-D664 PolarHBondContact ND2-O 2.84Å; N33-D664 PolarHBondContact OD1-O 3.32Å; T438-D664 PolarHBondContact OG1-N 3.38Å; T438-D664 PolarHBondContact OG1-OD1 3.18Å
665	G	90	Very high	92.1	Very high	17 Å²	17	57.2 Å²	57.2	18%	0.175	26%	0.263	C	S	.	.			trans	-68.2	144.5	-167.6	0	0	0	0	0	115.3	E667 E668 E669	G665-E667 VanDerWaalsContact C-N 3.25Å; G665-E667 PolarHBondContact O-N 3.4Å; G665-E668 VanDerWaalsContact CA-CD 3.42Å; G665-E668 WeakPolarHBondContact CA-OE1 3.33Å; G665-E668 PolarHBondContact N-OE1 3.02Å; G665-E668 VanDerWaalsContact N-OE1 3.09Å; G665-E668 VanDerWaalsContact O-CD 3.24Å; G665-E668 VanDerWaalsContact O-CG 3.27Å; G665-E668 WeakPolarHBondContact O-CG 3.49Å; G665-E669 PolarHBondContact O-N 3.45Å
666	R	91.6	Very high	91.5	Very high	198 Å²	198	53 Å²	53	75%	0.747	26%	0.261	S	S	*	.	H	α-helix	trans	-68.4	-21.6	172.2	-172.3	174.3	178.1	-173.1	-0.1	113.3	V670	R666-V670 HydrophobicContact CG-CG2 4.18Å; R666-V670 WeakPolarHBondContact O-CB 3.22Å; R666-V670 VanDerWaalsContact O-CG2 3.27Å; R666-V670 WeakPolarHBondContact O-CG2 3.13Å; R666-V670 PolarHBondContact O-N 3.02Å; R666-V670 VanDerWaalsContact O-N 3.09Å
667	E	92	Very high	91	Very high	90 Å²	90	47.7 Å²	47.7	42%	0.421	24%	0.24	S	C	.	.	H	α-helix	trans	-67	-46.3	-179.6	-166.9	-176.5	151.3	0	0	110.9	T610 K642 G665 V670 A671	T610-E667 WeakPolarHBondContact CG2-OE2 3.4Å; K642-E667 HydrophobicContact CB-CG 4.18Å; K642-E667 HydrophobicContact CG-CB 4.16Å; K642-E667 HydrophobicContact CG-CG 3.71Å; K642-E667 WeakPolarHBondContact CG-OE1 3.29Å; K642-E667 PolarHBondContact N-OE1 3.48Å; G665-E667 VanDerWaalsContact C-N 3.25Å; G665-E667 PolarHBondContact O-N 3.4Å; E667-V670 PolarHBondContact O-N 2.86Å; E667-A671 VanDerWaalsContact O-CB 3.28Å; E667-A671 WeakPolarHBondContact O-CB 3.11Å; E667-A671 PolarHBondContact O-N 3.08Å
668	E	92.5	Very high	90.9	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-73	-31.2	177	55.1	-91.5	-134	0	0	113.2	D434 K642 F646 V661 G665 V670 A672 F680	D434-E668 WeakPolarHBondContact CB-OE1 3.49Å; K642-E668 HydrophobicContact CG-CB 4.4Å; K642-E668 IonicContact NZ-OE1 3.54Å; K642-E668 PolarHBondContact NZ-OE1 2.83Å; K642-E668 IonicContact NZ-OE2 2.69Å; K642-E668 PolarHBondContact NZ-OE2 3.39Å; F646-E668 HydrophobicContact CZ-CB 4.07Å; V661-E668 HydrophobicContact CG1-CB 3.85Å; V661-E668 HydrophobicContact CG1-CG 4.42Å; G665-E668 VanDerWaalsContact CA-CD 3.42Å; G665-E668 WeakPolarHBondContact CA-OE1 3.33Å; G665-E668 PolarHBondContact N-OE1 3.02Å; G665-E668 VanDerWaalsContact N-OE1 3.09Å; G665-E668 VanDerWaalsContact O-CD 3.24Å; G665-E668 VanDerWaalsContact O-CG 3.27Å; G665-E668 WeakPolarHBondContact O-CG 3.49Å; E668-V670 VanDerWaalsContact C-N 3.34Å; E668-A672 WeakPolarHBondContact O-CB 3.43Å; E668-A672 PolarHBondContact O-N 3.48Å; E668-F680 HydrophobicContact CB-CE2 4.26Å; E668-F680 HydrophobicContact CG-CE2 3.68Å; E668-F680 HydrophobicContact CG-CZ 4.29Å
669	E	93.2	Very high	90.7	Very high	61 Å²	61	48.4 Å²	48.4	29%	0.285	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-44.9	169.7	-168.4	-151.2	172.1	0	0	111.1	G665 K673 F680	G665-E669 PolarHBondContact O-N 3.45Å; E669-K673 HydrophobicContact CG-CD 4.49Å; E669-K673 VanDerWaalsContact O-CG 3.31Å; E669-K673 WeakPolarHBondContact O-CG 3.32Å; E669-K673 PolarHBondContact O-N 3.38Å; E669-K673 IonicContact OE1-NZ 2.98Å; E669-K673 PolarHBondContact OE1-NZ 3.27Å; E669-F680 HydrophobicContact CB-CD1 4.2Å; E669-F680 HydrophobicContact CB-CD2 4.38Å; E669-F680 HydrophobicContact CB-CE1 3.88Å; E669-F680 HydrophobicContact CB-CE2 4.1Å; E669-F680 HydrophobicContact CB-CG 4.44Å; E669-F680 HydrophobicContact CB-CZ 3.82Å; E669-F680 HydrophobicContact CG-CD1 3.84Å; E669-F680 HydrophobicContact CG-CE1 3.85Å; E669-F680 HydrophobicContact CG-CG 4.29Å; E669-F680 HydrophobicContact CG-CZ 4.32Å
670	V	93.5	Very high	90.3	Very high	63 Å²	63	51.3 Å²	51.3	38%	0.382	26%	0.257	S	S	.	.	H	α-helix	trans	-71.1	-46.7	179.6	169.4	0	0	0	0	110.8	R666 E667 E668 A672 K673 Q674	R666-V670 HydrophobicContact CG-CG2 4.18Å; R666-V670 WeakPolarHBondContact O-CB 3.22Å; R666-V670 VanDerWaalsContact O-CG2 3.27Å; R666-V670 WeakPolarHBondContact O-CG2 3.13Å; R666-V670 PolarHBondContact O-N 3.02Å; R666-V670 VanDerWaalsContact O-N 3.09Å; E667-V670 PolarHBondContact O-N 2.86Å; E668-V670 VanDerWaalsContact C-N 3.34Å; V670-A672 VanDerWaalsContact C-N 3.32Å; V670-A672 PolarHBondContact O-N 2.95Å; V670-K673 PolarHBondContact O-N 3.28Å; V670-K673 VanDerWaalsContact O-N 3.09Å; V670-Q674 WeakPolarHBondContact O-CG 3.23Å; V670-Q674 PolarHBondContact O-N 3.49Å; V670-Q674 PolarHBondContact O-OE1 3.19Å
671	A	93.3	Very high	89.8	Confident	2 Å²	2	51.6 Å²	51.6	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-36.6	177	0	0	0	0	0	112.6	K642 E643 F646 E667 Q674 V675	K642-A671 HydrophobicContact CB-CB 3.74Å; E643-A671 HydrophobicContact CB-CB 4.07Å; F646-A671 HydrophobicContact CD2-CB 3.87Å; F646-A671 HydrophobicContact CE2-CB 3.61Å; E667-A671 VanDerWaalsContact O-CB 3.28Å; E667-A671 WeakPolarHBondContact O-CB 3.11Å; E667-A671 PolarHBondContact O-N 3.08Å; A671-Q674 PolarHBondContact O-N 2.9Å; A671-V675 WeakPolarHBondContact O-CB 3.46Å; A671-V675 VanDerWaalsContact O-CG2 3.31Å; A671-V675 WeakPolarHBondContact O-CG2 3.45Å; A671-V675 PolarHBondContact O-N 3Å
672	A	92.8	Very high	89.5	Confident	6 Å²	6	54.1 Å²	54.1	5%	0.05	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-46.7	171.5	0	0	0	0	0	111.2	V661 E668 V670 Q674 V675 T678 F680	V661-A672 HydrophobicContact CB-CB 4.17Å; V661-A672 HydrophobicContact CG1-CB 4.43Å; V661-A672 HydrophobicContact CG2-CB 3.99Å; E668-A672 WeakPolarHBondContact O-CB 3.43Å; E668-A672 PolarHBondContact O-N 3.48Å; V670-A672 VanDerWaalsContact C-N 3.32Å; V670-A672 PolarHBondContact O-N 2.95Å; A672-Q674 PolarHBondContact O-N 3.45Å; A672-V675 CarbonylContact O-C 3.43Å; A672-V675 PolarHBondContact O-N 3.24Å; A672-T678 VanDerWaalsContact C-OG1 3.32Å; A672-T678 VanDerWaalsContact CA-OG1 3.25Å; A672-T678 WeakPolarHBondContact CA-OG1 3.27Å; A672-T678 WeakPolarHBondContact CB-OG1 3.43Å; A672-T678 PolarHBondContact O-OG1 3.34Å; A672-F680 HydrophobicContact CB-CB 4.16Å; A672-F680 HydrophobicContact CB-CD2 4.3Å
673	K	91.5	Very high	89.1	Confident	152 Å²	152	56.8 Å²	56.8	66%	0.661	28%	0.284	S	S	*	.	H	α-helix	trans	-64.4	-25.7	179	-73.6	170	176.8	179.8	0	113.8	E669 V670	E669-K673 HydrophobicContact CG-CD 4.49Å; E669-K673 VanDerWaalsContact O-CG 3.31Å; E669-K673 WeakPolarHBondContact O-CG 3.32Å; E669-K673 PolarHBondContact O-N 3.38Å; E669-K673 IonicContact OE1-NZ 2.98Å; E669-K673 PolarHBondContact OE1-NZ 3.27Å; V670-K673 PolarHBondContact O-N 3.28Å; V670-K673 VanDerWaalsContact O-N 3.09Å
674	Q	88.9	Confident	88.8	Confident	101 Å²	101	59.9 Å²	59.9	47%	0.472	30%	0.299	S	S	.	.	H	α-helix	trans	-79.7	-41	172.5	-66.5	166.8	-87.8	0	0	112.2	E643 V670 A671 A672 S676	E643-Q674 WeakPolarHBondContact OE1-CB 3.27Å; E643-Q674 PolarHBondContact OE1-NE2 2.85Å; E643-Q674 PolarHBondContact OE2-NE2 3.49Å; V670-Q674 WeakPolarHBondContact O-CG 3.23Å; V670-Q674 PolarHBondContact O-N 3.49Å; V670-Q674 PolarHBondContact O-OE1 3.19Å; A671-Q674 PolarHBondContact O-N 2.9Å; A672-Q674 PolarHBondContact O-N 3.45Å; Q674-S676 PolarHBondContact O-N 2.82Å
675	V	86	Confident	88.6	Confident	12 Å²	12	61.5 Å²	61.5	7%	0.073	31%	0.306	C	S	.	.	S	Bend	trans	-87.9	102.3	-175.2	-178.4	0	0	0	0	111.1	E643 F646 M650 A671 A672 T678	E643-V675 HydrophobicContact CG-CG2 4Å; F646-V675 HydrophobicContact CB-CG1 4.47Å; F646-V675 HydrophobicContact CB-CG2 4.21Å; F646-V675 HydrophobicContact CD2-CG2 4.48Å; M650-V675 HydrophobicContact SD-CG1 3.28Å; M650-V675 WeakPolarHBondContact SD-CG1 3.27Å; A671-V675 WeakPolarHBondContact O-CB 3.46Å; A671-V675 VanDerWaalsContact O-CG2 3.31Å; A671-V675 WeakPolarHBondContact O-CG2 3.45Å; A671-V675 PolarHBondContact O-N 3Å; A672-V675 CarbonylContact O-C 3.43Å; A672-V675 PolarHBondContact O-N 3.24Å; V675-T678 HydrophobicContact CB-CG2 4.04Å; V675-T678 HydrophobicContact CG1-CG2 3.82Å; V675-T678 WeakPolarHBondContact O-CG2 3.18Å; V675-T678 PolarHBondContact O-N 3.14Å; V675-T678 PolarHBondContact O-OG1 3.48Å
676	S	74.9	Confident	88.5	Confident	92 Å²	92	64.3 Å²	64.3	64%	0.643	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	148	174.5	68.2	0	0	0	0	112.5	M650 Q674 T678	M650-S676 WeakPolarHBondContact CE-O 3.33Å; Q674-S676 PolarHBondContact O-N 2.82Å; S676-T678 VanDerWaalsContact C-N 3.29Å
677	Q	78.9	Confident	88.3	Confident	92 Å²	92	55.3 Å²	55.3	43%	0.43	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	3.3	-174.8	-41.4	-175.9	-83	0	0	115.9	M650 R655 Y659	M650-Q677 HydrophobicContact CE-CB 3.98Å; M650-Q677 HydrophobicContact CE-CG 4.29Å; M650-Q677 VanDerWaalsContact CE-OE1 3.3Å; R655-Q677 PolarHBondContact O-NE2 2.91Å; Y659-Q677 PolarHBondContact N-O 2.89Å
678	T	86.9	Confident	88.1	Confident	22 Å²	22	52.9 Å²	52.9	14%	0.135	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	159.2	168.3	73.4	0	0	0	0	112.4	Y659 V661 A672 V675 S676	Y659-T678 CarbonylContact O-C 3.6Å; Y659-T678 VanDerWaalsContact O-CA 3.28Å; Y659-T678 WeakPolarHBondContact O-CA 3.35Å; V661-T678 HydrophobicContact CG2-CG2 4.27Å; A672-T678 VanDerWaalsContact C-OG1 3.32Å; A672-T678 VanDerWaalsContact CA-OG1 3.25Å; A672-T678 WeakPolarHBondContact CA-OG1 3.27Å; A672-T678 WeakPolarHBondContact CB-OG1 3.43Å; A672-T678 PolarHBondContact O-OG1 3.34Å; V675-T678 HydrophobicContact CB-CG2 4.04Å; V675-T678 HydrophobicContact CG1-CG2 3.82Å; V675-T678 WeakPolarHBondContact O-CG2 3.18Å; V675-T678 PolarHBondContact O-N 3.14Å; V675-T678 PolarHBondContact O-OG1 3.48Å; S676-T678 VanDerWaalsContact C-N 3.29Å
679	V	88.6	Confident	87.7	Confident	53 Å²	53	56.3 Å²	56.3	32%	0.321	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.2	168.7	-178.7	0	0	0	0	108.9	L14 Y659 V660 V661	L14-V679 HydrophobicContact CD1-CG1 3.75Å; Y659-V679 PolarHBondContact O-N 3.02Å; V660-V679 CarbonylContact C-O 3.55Å; V660-V679 WeakPolarHBondContact CA-O 3.44Å; V661-V679 PolarHBondContact N-O 3.12Å
680	F	87.2	Confident	87.3	Confident	62 Å²	62	55.9 Å²	55.9	27%	0.272	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	144.4	178	-167.9	-106	0	0	0	112	V661 G663 E668 E669 A672	V661-F680 HydrophobicContact CB-CD2 4.02Å; V661-F680 HydrophobicContact CG1-CD2 3.7Å; V661-F680 HydrophobicContact CG1-CE2 4Å; V661-F680 WeakPolarHBondContact O-CA 3.34Å; G663-F680 VanDerWaalsContact O-CZ 3.24Å; G663-F680 WeakPolarHBondContact O-CZ 3.37Å; E668-F680 HydrophobicContact CB-CE2 4.26Å; E668-F680 HydrophobicContact CG-CE2 3.68Å; E668-F680 HydrophobicContact CG-CZ 4.29Å; E669-F680 HydrophobicContact CB-CD1 4.2Å; E669-F680 HydrophobicContact CB-CD2 4.38Å; E669-F680 HydrophobicContact CB-CE1 3.88Å; E669-F680 HydrophobicContact CB-CE2 4.1Å; E669-F680 HydrophobicContact CB-CG 4.44Å; E669-F680 HydrophobicContact CB-CZ 3.82Å; E669-F680 HydrophobicContact CG-CD1 3.84Å; E669-F680 HydrophobicContact CG-CE1 3.85Å; E669-F680 HydrophobicContact CG-CG 4.29Å; E669-F680 HydrophobicContact CG-CZ 4.32Å; A672-F680 HydrophobicContact CB-CB 4.16Å; A672-F680 HydrophobicContact CB-CD2 4.3Å
681	V	84.4	Confident	86.7	Confident	14 Å²	14	55.3 Å²	55.3	9%	0.085	29%	0.287	C	S	.	.			trans	-131.6	0	-167.7	167.3	0	0	0	0	114	F15 S26 K30 V660 V661 V662	F15-V681 HydrophobicContact CZ-CG1 3.91Å; F15-V681 HydrophobicContact CZ-CG2 4.43Å; S26-V681 PolarHBondContact OG-OXT 3.14Å; K30-V681 WeakPolarHBondContact CE-OXT 3.34Å; K30-V681 PolarHBondContact NZ-OXT 3.23Å; V660-V681 HydrophobicContact CG1-CB 4.41Å; V660-V681 HydrophobicContact CG1-CG2 3.54Å; V661-V681 PolarHBondContact O-N 2.75Å; V662-V681 HydrophobicContact CG2-CB 4.27Å

Retrieved 681 of 681 residues in 532.3 ms (Link to these results)

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