A0A3Q0KLZ2_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KLZ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 578 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	29.4	Very low	30	Very low	249 Å²	249	129.6 Å²	129.6	100%	1.227	72%	0.724	S	S	*	*				0	132.1	0	-78.2	173.6	162.8	0	0	108.4
2	A	26.6	Very low	30.2	Very low	94 Å²	94	124.9 Å²	124.9	78%	0.777	71%	0.706	S	S	*	*			trans	-14.7	122.6	-165.3	0	0	0	0	0	119.8	I4	A2-I4 PolarHBondContact O-N 3.43Å
3	S	26.3	Very low	30.4	Very low	104 Å²	104	130.5 Å²	130.5	73%	0.727	72%	0.718	S	S	*	*			trans	-69.5	117	164.5	59.5	0	0	0	0	110
4	I	29.8	Very low	30.4	Very low	118 Å²	118	129.6 Å²	129.6	61%	0.605	71%	0.712	S	S	*	*			trans	-114.5	90.4	159	-60.8	175.9	0	0	0	104.9	A2 I6	A2-I4 PolarHBondContact O-N 3.43Å; I4-I6 HydrophobicContact CG2-CD1 3.69Å; I4-I6 HydrophobicContact CG2-CG1 3.68Å
5	D	29.4	Very low	30.2	Very low	103 Å²	103	135.7 Å²	135.7	55%	0.551	72%	0.72	S	S	*	*			trans	-78.9	128.7	167.1	-74.1	-38.1	0	0	0	107.4	F9	D5-F9 VanDerWaalsContact C-CE2 3.44Å; D5-F9 HydrophobicContact CB-CD2 4.39Å; D5-F9 HydrophobicContact CB-CE1 4Å; D5-F9 HydrophobicContact CB-CE2 3.74Å; D5-F9 HydrophobicContact CB-CZ 3.49Å; D5-F9 VanDerWaalsContact CB-CZ 3.49Å; D5-F9 WeakPolarHBondContact O-CE2 2.98Å
6	I	28.7	Very low	30.1	Very low	94 Å²	94	136.5 Å²	136.5	48%	0.482	73%	0.725	S	S	.	*			trans	-135.4	140.9	175.7	-47.9	175.4	0	0	0	103.8	I4 F8	I4-I6 HydrophobicContact CG2-CD1 3.69Å; I4-I6 HydrophobicContact CG2-CG1 3.68Å; I6-F8 PolarHBondContact O-N 3.29Å
7	P	31.7	Very low	30.5	Very low	115 Å²	115	134.2 Å²	134.2	75%	0.747	72%	0.717	S	S	*	*	S	Bend		-55.2	64.9	-128	38.2	-38.7	0	0	0	117.2
8	F	41.4	Very low	30.6	Very low	149 Å²	149	140.3 Å²	140.3	65%	0.654	73%	0.73	S	S	*	*			trans	-76.4	8.6	139.4	-81.6	-91.9	0	0	0	111.4	I6 H10 H163	I6-F8 PolarHBondContact O-N 3.29Å; F8-H10 VanDerWaalsContact C-N 3.32Å; F8-H10 PolarHBondContact O-N 2.99Å; F8-H163 AromaticContact CE1-NE2 3.77Å
9	F	30.6	Very low	30.8	Very low	146 Å²	146	137.5 Å²	137.5	64%	0.64	73%	0.73	S	S	*	*			trans	-68.9	74.3	176.2	-78	-71.9	0	0	0	112.4	D5	D5-F9 VanDerWaalsContact C-CE2 3.44Å; D5-F9 HydrophobicContact CB-CD2 4.39Å; D5-F9 HydrophobicContact CB-CE1 4Å; D5-F9 HydrophobicContact CB-CE2 3.74Å; D5-F9 HydrophobicContact CB-CZ 3.49Å; D5-F9 VanDerWaalsContact CB-CZ 3.49Å; D5-F9 WeakPolarHBondContact O-CE2 2.98Å
10	H	29	Very low	30.9	Very low	187 Å²	187	135.1 Å²	135.1	87%	0.866	72%	0.717	S	S	*	*			trans	-86.1	108.4	147.1	-124.9	-68.1	0	0	0	107.7	F8 S12	F8-H10 VanDerWaalsContact C-N 3.32Å; F8-H10 PolarHBondContact O-N 2.99Å; H10-S12 PolarHBondContact O-N 3.27Å; H10-S12 VanDerWaalsContact O-N 3.09Å
11	G	27.4	Very low	31.2	Very low	67 Å²	67	133.4 Å²	133.4	69%	0.691	71%	0.714	S	S	*	*			trans	-59.3	109.7	171.9	0	0	0	0	0	110.5	K13	G11-K13 PolarHBondContact O-N 3.14Å
12	S	32.7	Very low	31.5	Very low	73 Å²	73	126.2 Å²	126.2	51%	0.51	68%	0.68	S	S	.	*			trans	-68.8	107.4	149	168.8	0	0	0	0	105.8	H10 D14	H10-S12 PolarHBondContact O-N 3.27Å; H10-S12 VanDerWaalsContact O-N 3.09Å; S12-D14 PolarHBondContact O-N 3.17Å
13	K	32.4	Very low	32.2	Very low	198 Å²	198	124 Å²	124	86%	0.861	66%	0.657	S	S	*	*			trans	-59	94.6	162	-84.1	179.5	175.2	175.4	0	107.1	G11 R15	G11-K13 PolarHBondContact O-N 3.14Å; K13-R15 VanDerWaalsContact C-N 3.27Å; K13-R15 PolarHBondContact O-N 2.98Å
14	D	29.8	Very low	32.8	Very low	118 Å²	118	127 Å²	127	63%	0.631	65%	0.653	S	S	*	*			trans	-60.5	95.2	157.7	-72.1	-33.6	0	0	0	107.1	S12	S12-D14 PolarHBondContact O-N 3.17Å
15	R	27.7	Very low	33.6	Very low	221 Å²	221	124.5 Å²	124.5	83%	0.834	64%	0.644	S	S	*	*			trans	-165.7	110.3	163	-99.7	153.8	-160.9	-150.5	6.5	107.9	K13	K13-R15 VanDerWaalsContact C-N 3.27Å; K13-R15 PolarHBondContact O-N 2.98Å
16	N	28.7	Very low	34.6	Very low	148 Å²	148	123.8 Å²	123.8	79%	0.791	65%	0.647	S	S	*	*			trans	92.6	44.5	165.9	-53.7	-9	0	0	0	119.6	Y18	N16-Y18 VanDerWaalsContact C-N 3.31Å; N16-Y18 PolarHBondContact O-N 2.89Å
17	V	36.6	Very low	35.3	Very low	98 Å²	98	122.5 Å²	122.5	59%	0.594	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-2	173.3	-176.7	0	0	0	0	113.8	A19	V17-A19 PolarHBondContact O-N 2.81Å
18	Y	32.7	Very low	35.8	Very low	243 Å²	243	117.8 Å²	117.8	95%	0.953	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	5.6	-175.8	-85.2	-80	0	0	0	116.3	N16	N16-Y18 VanDerWaalsContact C-N 3.31Å; N16-Y18 PolarHBondContact O-N 2.89Å
19	A	34.1	Very low	36.3	Very low	88 Å²	88	111.5 Å²	111.5	73%	0.727	60%	0.596	S	S	*	*	S	Bend	trans	-130.3	3.1	-168.5	0	0	0	0	0	116.8	V17	V17-A19 PolarHBondContact O-N 2.81Å
20	N	32.2	Very low	37.4	Very low	89 Å²	89	106.9 Å²	106.9	48%	0.476	58%	0.58	S	S	.	*			trans	-112.7	112.3	-176.2	-156.8	-6.8	0	0	0	112.7	D22 V23	N20-D22 PolarHBondContact O-N 3.25Å; N20-D22 VanDerWaalsContact O-N 3.07Å; N20-D22 PolarHBondContact OD1-N 2.99Å; N20-D22 PolarHBondContact OD1-OD2 2.64Å; N20-V23 HydrophobicContact CB-CG2 4.4Å; N20-V23 WeakPolarHBondContact O-CG2 3.48Å; N20-V23 PolarHBondContact O-N 2.81Å
21	P	37.6	Very low	38.4	Very low	100 Å²	100	101.5 Å²	101.5	65%	0.649	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-60.2	-14.8	176.5	22.7	-31.8	0	0	0	113.7	V23 Y24	P21-V23 PolarHBondContact O-N 2.89Å; P21-Y24 PolarHBondContact O-N 3.25Å
22	D	36.8	Very low	39.7	Very low	97 Å²	97	101.4 Å²	101.4	52%	0.519	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-69.3	-15.5	175.9	-65.7	-23.7	0	0	0	114.4	N20 Y24 T25	N20-D22 PolarHBondContact O-N 3.25Å; N20-D22 VanDerWaalsContact O-N 3.07Å; N20-D22 PolarHBondContact OD1-N 2.99Å; N20-D22 PolarHBondContact OD1-OD2 2.64Å; D22-Y24 PolarHBondContact O-N 3.45Å; D22-T25 PolarHBondContact O-N 3.19Å; D22-T25 PolarHBondContact O-OG1 2.59Å
23	V	40.6	Very low	41	Very low	48 Å²	48	98.3 Å²	98.3	29%	0.291	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-64.6	-17.8	175.5	178.7	0	0	0	0	112.1	N20 P21	N20-V23 HydrophobicContact CB-CG2 4.4Å; N20-V23 WeakPolarHBondContact O-CG2 3.48Å; N20-V23 PolarHBondContact O-N 2.81Å; P21-V23 PolarHBondContact O-N 2.89Å
24	Y	38.5	Very low	42.5	Very low	166 Å²	166	92.8 Å²	92.8	65%	0.651	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-92.1	-6.6	-178.3	-71.3	-87.9	0	0	0	114.8	P21 D22 R186	P21-Y24 PolarHBondContact O-N 3.25Å; D22-Y24 PolarHBondContact O-N 3.45Å; Y24-R186 PolarHBondContact O-NH1 2.89Å; Y24-R186 VanDerWaalsContact O-NH1 3.14Å
25	T	47.3	Very low	44.2	Very low	66 Å²	66	91.1 Å²	91.1	41%	0.405	50%	0.504	S	S	.	.	S	Bend	trans	-82.4	147.1	174.1	66.3	0	0	0	0	110.6	D22 A27 G28 V29	D22-T25 PolarHBondContact O-N 3.19Å; D22-T25 PolarHBondContact O-OG1 2.59Å; T25-A27 PolarHBondContact O-N 2.79Å; T25-A27 VanDerWaalsContact O-N 3.14Å; T25-G28 PolarHBondContact O-N 3.47Å; T25-G28 PolarHBondContact OG1-N 2.85Å; T25-G28 VanDerWaalsContact OG1-N 3.14Å; T25-V29 PolarHBondContact O-N 3.26Å
26	S	49.1	Very low	46.2	Very low	89 Å²	89	86.6 Å²	86.6	62%	0.622	49%	0.487	S	S	*	.	H	α-helix	trans	-53.3	-34.6	175.8	50.3	0	0	0	0	111.8	V30	S26-V30 WeakPolarHBondContact O-CG2 3.2Å; S26-V30 PolarHBondContact O-N 2.8Å; S26-V30 VanDerWaalsContact O-N 3.07Å
27	A	45.3	Very low	48.2	Very low	67 Å²	67	79.8 Å²	79.8	55%	0.554	45%	0.45	S	S	*	.	H	α-helix	trans	-66.1	-43.1	174.3	0	0	0	0	0	113.5	T25 V30 A31	T25-A27 PolarHBondContact O-N 2.79Å; T25-A27 VanDerWaalsContact O-N 3.14Å; A27-V30 PolarHBondContact O-N 3.41Å; A27-A31 WeakPolarHBondContact O-CB 3.48Å; A27-A31 PolarHBondContact O-N 2.81Å
28	G	41.7	Very low	50	Low	15 Å²	15	78.9 Å²	78.9	16%	0.155	44%	0.438	C	S	.	.	H	α-helix	trans	-66.7	-35.8	176.7	0	0	0	0	0	113.1	T25 T32	T25-G28 PolarHBondContact O-N 3.47Å; T25-G28 PolarHBondContact OG1-N 2.85Å; T25-G28 VanDerWaalsContact OG1-N 3.14Å; G28-T32 WeakPolarHBondContact O-CB 3.41Å; G28-T32 VanDerWaalsContact O-CG2 3.31Å; G28-T32 WeakPolarHBondContact O-CG2 3.2Å; G28-T32 PolarHBondContact O-N 3.06Å; G28-T32 VanDerWaalsContact O-N 3.09Å; G28-T32 PolarHBondContact O-OG1 3.29Å
29	V	50.9	Low	52.1	Low	17 Å²	17	67.8 Å²	67.8	10%	0.103	40%	0.396	C	S	.	.	H	α-helix	trans	-65.8	-41.9	172.9	179	0	0	0	0	110.7	T25 T32 T33	T25-V29 PolarHBondContact O-N 3.26Å; V29-T32 PolarHBondContact O-OG1 3.41Å; V29-T33 HydrophobicContact CG1-CG2 4.47Å; V29-T33 WeakPolarHBondContact O-CB 3.19Å; V29-T33 VanDerWaalsContact O-CG2 3.26Å; V29-T33 WeakPolarHBondContact O-CG2 3.44Å; V29-T33 PolarHBondContact O-N 2.9Å; V29-T33 PolarHBondContact O-OG1 3.2Å
30	V	54.4	Low	54.3	Low	49 Å²	49	65.2 Å²	65.2	30%	0.297	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-46.5	176.7	171.1	0	0	0	0	111	S26 A27 T32 T33 Y34 C175 A179	S26-V30 WeakPolarHBondContact O-CG2 3.2Å; S26-V30 PolarHBondContact O-N 2.8Å; S26-V30 VanDerWaalsContact O-N 3.07Å; A27-V30 PolarHBondContact O-N 3.41Å; V30-T32 PolarHBondContact O-N 3.21Å; V30-T33 PolarHBondContact O-N 3.44Å; V30-Y34 WeakPolarHBondContact O-CB 3.32Å; V30-Y34 PolarHBondContact O-N 3.32Å; V30-C175 HydrophobicContact CG1-CB 4.09Å; V30-C175 HydrophobicContact CG2-CB 4.25Å; V30-A179 HydrophobicContact CG2-CB 4.47Å
31	A	50.4	Low	56.7	Low	75 Å²	75	61.2 Å²	61.2	62%	0.62	35%	0.351	S	S	*	.	H	α-helix	trans	-63.7	-37.5	-178.7	0	0	0	0	0	113.4	A27	A27-A31 WeakPolarHBondContact O-CB 3.48Å; A27-A31 PolarHBondContact O-N 2.81Å
32	T	53.5	Low	58.9	Low	64 Å²	64	61.2 Å²	61.2	39%	0.393	34%	0.338	S	S	.	.	H	α-helix	trans	-80	-20.1	-179.3	52.9	0	0	0	0	113.7	G28 V29 V30	G28-T32 WeakPolarHBondContact O-CB 3.41Å; G28-T32 VanDerWaalsContact O-CG2 3.31Å; G28-T32 WeakPolarHBondContact O-CG2 3.2Å; G28-T32 PolarHBondContact O-N 3.06Å; G28-T32 VanDerWaalsContact O-N 3.09Å; G28-T32 PolarHBondContact O-OG1 3.29Å; V29-T32 PolarHBondContact O-OG1 3.41Å; V30-T32 PolarHBondContact O-N 3.21Å
33	T	60.8	Low	61.3	Low	8 Å²	8	56.6 Å²	56.6	5%	0.049	31%	0.313	C	S	.	.	H	α-helix	trans	-109.7	-19.7	-173	61.4	0	0	0	0	114.1	V29 V30 S35 R36 F37	V29-T33 HydrophobicContact CG1-CG2 4.47Å; V29-T33 WeakPolarHBondContact O-CB 3.19Å; V29-T33 VanDerWaalsContact O-CG2 3.26Å; V29-T33 WeakPolarHBondContact O-CG2 3.44Å; V29-T33 PolarHBondContact O-N 2.9Å; V29-T33 PolarHBondContact O-OG1 3.2Å; V30-T33 PolarHBondContact O-N 3.44Å; T33-S35 VanDerWaalsContact C-N 3.27Å; T33-S35 PolarHBondContact O-N 3.49Å; T33-R36 PolarHBondContact O-N 3.31Å; T33-F37 WeakPolarHBondContact O-CD2 3.38Å; T33-F37 PolarHBondContact O-N 2.93Å
34	Y	63.4	Low	63.5	Low	83 Å²	83	54.5 Å²	54.5	33%	0.325	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-39.5	-179.4	-169.8	-90.9	0	0	0	113.5	V30 R36 R168 R171	V30-Y34 WeakPolarHBondContact O-CB 3.32Å; V30-Y34 PolarHBondContact O-N 3.32Å; Y34-R36 VanDerWaalsContact C-N 3.31Å; Y34-R36 PolarHBondContact O-N 3.32Å; Y34-R168 PolarHBondContact OH-O 3.39Å; Y34-R171 HydrophobicContact CD2-CB 3.96Å; Y34-R171 HydrophobicContact CE1-CB 4.22Å; Y34-R171 HydrophobicContact CE2-CB 3.44Å; Y34-R171 VanDerWaalsContact CE2-CB 3.44Å; Y34-R171 WeakPolarHBondContact O-CD 2.95Å; Y34-R171 PolarHBondContact O-NH1 3Å
35	S	65.7	Low	65.9	Low	82 Å²	82	51.1 Å²	51.1	57%	0.573	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-19.1	179	59.1	0	0	0	0	113.6	T33	T33-S35 VanDerWaalsContact C-N 3.27Å; T33-S35 PolarHBondContact O-N 3.49Å
36	R	69	Low	68	Low	126 Å²	126	51.2 Å²	51.2	48%	0.475	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-15.9	-173.1	-63.1	-175	178	-167.2	-3.5	113.4	T33 Y34 Y514 L515	T33-R36 PolarHBondContact O-N 3.31Å; Y34-R36 VanDerWaalsContact C-N 3.31Å; Y34-R36 PolarHBondContact O-N 3.32Å; R36-Y514 PolarHBondContact O-OH 3.03Å; R36-L515 HydrophobicContact CB-CD1 4.03Å; R36-L515 HydrophobicContact CB-CD2 4.31Å
37	F	70.6	Confident	69.9	Low	6 Å²	6	47 Å²	47	3%	0.026	25%	0.254	C	S	.	.			trans	-70.9	131	-179.1	-74.8	-65.8	0	0	0	112.3	T33 R171 L174 C175 R178 L515 F516	T33-F37 WeakPolarHBondContact O-CD2 3.38Å; T33-F37 PolarHBondContact O-N 2.93Å; F37-R171 HydrophobicContact CB-CG 4.32Å; F37-L174 HydrophobicContact CB-CD1 4.17Å; F37-L174 HydrophobicContact CD1-CB 4.03Å; F37-L174 HydrophobicContact CD1-CD1 4.14Å; F37-L174 HydrophobicContact CD2-CB 4.33Å; F37-L174 HydrophobicContact CE1-CB 4.15Å; F37-L174 HydrophobicContact CE2-CB 4.42Å; F37-L174 HydrophobicContact CG-CB 4.13Å; F37-L174 HydrophobicContact CG-CD1 4.24Å; F37-L174 HydrophobicContact CZ-CB 4.3Å; F37-C175 HydrophobicContact CE2-CB 4.41Å; F37-C175 WeakPolarHBondContact CE2-SG 3.38Å; F37-R178 HydrophobicContact CZ-CB 4Å; F37-R178 HydrophobicContact CZ-CG 4.41Å; F37-L515 HydrophobicContact CD1-CB 4.45Å; F37-L515 HydrophobicContact CD1-CD1 3.44Å; F37-L515 VanDerWaalsContact CD1-CD1 3.44Å; F37-L515 HydrophobicContact CE1-CB 3.87Å; F37-L515 HydrophobicContact CE1-CD1 3.6Å; F37-L515 HydrophobicContact CE1-CG 4.31Å; F37-L515 HydrophobicContact CG-CD1 4.04Å; F37-L515 HydrophobicContact CZ-CD1 4.36Å; F37-F516 AromaticContact CD1-CE2 3.86Å; F37-F516 HydrophobicContact CD1-CE2 3.86Å; F37-F516 HydrophobicContact CD1-CZ 4.25Å; F37-F516 HydrophobicContact CE1-CD2 4.13Å; F37-F516 HydrophobicContact CE1-CE1 4.31Å; F37-F516 AromaticContact CE1-CE2 3.25Å; F37-F516 HydrophobicContact CE1-CE2 3.25Å; F37-F516 AromaticContact CE1-CZ 3.36Å; F37-F516 HydrophobicContact CE1-CZ 3.36Å; F37-F516 HydrophobicContact CZ-CE2 4.19Å; F37-F516 AromaticContact CZ-CZ 3.85Å; F37-F516 HydrophobicContact CZ-CZ 3.85Å
38	K	76.3	Confident	72.1	Confident	79 Å²	79	45.9 Å²	45.9	34%	0.343	24%	0.239	S	C	.	.			trans	-87.4	117.3	171.4	-65.1	178.2	-174.4	170.4	0	109.3	N512	K38-N512 PolarHBondContact N-OD1 3.14Å; K38-N512 PolarHBondContact O-ND2 3.22Å
39	T	75.1	Confident	74.5	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.055	25%	0.247	C	C	.	.			trans	-100.3	-7.8	175.7	53.4	0	0	0	0	113.1	D167 A170 R171	T39-D167 WeakPolarHBondContact CB-OD1 3.39Å; T39-D167 VanDerWaalsContact CG2-OD1 3.25Å; T39-D167 WeakPolarHBondContact CG2-OD1 3.44Å; T39-D167 PolarHBondContact OG1-OD1 2.66Å; T39-A170 HydrophobicContact CG2-CB 3.9Å; T39-R171 HydrophobicContact CG2-CG 3.69Å
40	S	81.3	Confident	76.4	Confident	35 Å²	35	48.5 Å²	48.5	25%	0.245	25%	0.248	C	C	.	.	S	Bend	trans	-110.3	138.4	174.2	55.3	0	0	0	0	110.3
41	F	82.6	Confident	78	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.018	24%	0.235	C	C	.	.			trans	-75.7	161.3	176.6	-65.6	-83.3	0	0	0	110.3	I43 D44 R45 Y348 F504 L507 L508 E511	F41-I43 HydrophobicContact CB-CG2 4.03Å; F41-I43 PolarHBondContact O-N 2.83Å; F41-D44 PolarHBondContact N-OD2 3.26Å; F41-D44 VanDerWaalsContact N-OD2 3.09Å; F41-D44 WeakPolarHBondContact O-CB 3.48Å; F41-D44 PolarHBondContact O-N 3.26Å; F41-D44 VanDerWaalsContact O-N 3.09Å; F41-R45 PolarHBondContact O-N 2.86Å; F41-Y348 HydrophobicContact CD2-CD2 4.08Å; F41-Y348 AromaticContact CD2-CE2 3.36Å; F41-Y348 HydrophobicContact CD2-CE2 3.36Å; F41-Y348 AromaticContact CD2-CZ 3.6Å; F41-Y348 HydrophobicContact CE2-CD2 4.08Å; F41-Y348 AromaticContact CE2-CE2 3.78Å; F41-Y348 HydrophobicContact CE2-CE2 3.78Å; F41-Y348 AromaticContact CE2-CZ 4Å; F41-Y348 HydrophobicContact CG-CE2 4.41Å; F41-F504 HydrophobicContact CE2-CD2 4.42Å; F41-F504 AromaticContact CE2-CE2 3.48Å; F41-F504 HydrophobicContact CE2-CE2 3.48Å; F41-F504 VanDerWaalsContact CE2-CE2 3.48Å; F41-F504 AromaticContact CE2-CZ 3.78Å; F41-F504 HydrophobicContact CE2-CZ 3.78Å; F41-F504 HydrophobicContact CZ-CD2 4.12Å; F41-F504 AromaticContact CZ-CE2 3.53Å; F41-F504 HydrophobicContact CZ-CE2 3.53Å; F41-F504 AromaticContact CZ-CZ 3.83Å; F41-F504 HydrophobicContact CZ-CZ 3.83Å; F41-L507 HydrophobicContact CE1-CB 3.81Å; F41-L508 HydrophobicContact CZ-CB 4.44Å; F41-L508 HydrophobicContact CZ-CD1 4.41Å; F41-E511 HydrophobicContact CD1-CG 3.74Å; F41-E511 HydrophobicContact CE1-CG 4.27Å
42	W	83.2	Confident	80.1	Confident	101 Å²	101	43.5 Å²	43.5	38%	0.383	21%	0.21	S	C	.	.	H	α-helix	trans	-54	-38.7	175.7	69.4	-95	0	0	0	112.6	D44 R45 I46 Y427 E511	W42-D44 VanDerWaalsContact C-N 3.29Å; W42-D44 PolarHBondContact O-N 3.05Å; W42-R45 VanDerWaalsContact CA-NH2 3.33Å; W42-R45 WeakPolarHBondContact O-CB 3.47Å; W42-R45 PolarHBondContact O-N 3.18Å; W42-I46 HydrophobicContact CE3-CD1 3.51Å; W42-I46 HydrophobicContact CE3-CG1 4.33Å; W42-I46 HydrophobicContact CZ3-CD1 3.65Å; W42-I46 PolarHBondContact O-N 3.11Å; W42-Y427 AromaticContact CE2-CD2 3.94Å; W42-Y427 AromaticContact CZ2-CD2 3.68Å; W42-Y427 HydrophobicContact CZ2-CD2 3.68Å; W42-Y427 HydrophobicContact CZ2-CE2 4.31Å; W42-Y427 AromaticContact NE1-CE2 3.76Å; W42-E511 WeakPolarHBondContact CB-OE1 3.42Å; W42-E511 PolarHBondContact N-OE1 3.46Å
43	I	87.1	Confident	81.9	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-37.9	178.7	-169.5	63.6	0	0	0	111.6	F41 R45 I46 L47 Y348 L423 Y427	F41-I43 HydrophobicContact CB-CG2 4.03Å; F41-I43 PolarHBondContact O-N 2.83Å; I43-R45 VanDerWaalsContact C-N 3.3Å; I43-R45 PolarHBondContact O-N 2.86Å; I43-I46 PolarHBondContact O-N 3.06Å; I43-L47 HydrophobicContact CD1-CG 4.46Å; I43-L47 HydrophobicContact CG1-CD1 4.01Å; I43-L47 HydrophobicContact CG1-CG 4.34Å; I43-L47 WeakPolarHBondContact O-CB 3.37Å; I43-L47 VanDerWaalsContact O-CG 3.3Å; I43-L47 WeakPolarHBondContact O-CG 3.2Å; I43-L47 PolarHBondContact O-N 3.13Å; I43-Y348 WeakPolarHBondContact CG2-OH 3.49Å; I43-L423 HydrophobicContact CD1-CB 3.92Å; I43-Y427 HydrophobicContact CB-CD2 3.94Å; I43-Y427 HydrophobicContact CB-CE2 4.26Å; I43-Y427 HydrophobicContact CB-CG 4.15Å; I43-Y427 HydrophobicContact CG1-CD2 4.35Å; I43-Y427 HydrophobicContact CG1-CG 4.11Å; I43-Y427 HydrophobicContact CG2-CD1 4.11Å; I43-Y427 HydrophobicContact CG2-CD2 3.98Å; I43-Y427 HydrophobicContact CG2-CE1 4.03Å; I43-Y427 HydrophobicContact CG2-CE2 3.9Å; I43-Y427 HydrophobicContact CG2-CG 4.09Å
44	D	88.2	Confident	83.5	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-36.1	179.1	-63.2	-43.8	0	0	0	111.8	F41 W42 L48 H159 K351 H352	F41-D44 PolarHBondContact N-OD2 3.26Å; F41-D44 VanDerWaalsContact N-OD2 3.09Å; F41-D44 WeakPolarHBondContact O-CB 3.48Å; F41-D44 PolarHBondContact O-N 3.26Å; F41-D44 VanDerWaalsContact O-N 3.09Å; W42-D44 VanDerWaalsContact C-N 3.29Å; W42-D44 PolarHBondContact O-N 3.05Å; D44-L48 VanDerWaalsContact O-CB 3.31Å; D44-L48 WeakPolarHBondContact O-CB 3.34Å; D44-L48 PolarHBondContact O-N 3.46Å; D44-H159 PolarHBondContact O-CE1 3.49Å; D44-K351 IonicContact OD1-NZ 3.97Å; D44-K351 PolarHBondContact OD1-NZ 2.94Å; D44-K351 IonicContact OD2-NZ 3.83Å; D44-H352 IonicContact OD1-CE1 3.17Å; D44-H352 IonicContact OD1-NE2 2.71Å; D44-H352 PolarHBondContact OD1-NE2 2.86Å
45	R	88.4	Confident	84.9	Confident	94 Å²	94	40.2 Å²	40.2	36%	0.355	20%	0.197	S	C	.	.	H	α-helix	trans	-69.1	-44.7	177.2	-68.9	176.6	-85.6	161.3	-2.9	110.8	F41 W42 I43 L48 I49 E511	F41-R45 PolarHBondContact O-N 2.86Å; W42-R45 VanDerWaalsContact CA-NH2 3.33Å; W42-R45 WeakPolarHBondContact O-CB 3.47Å; W42-R45 PolarHBondContact O-N 3.18Å; I43-R45 VanDerWaalsContact C-N 3.3Å; I43-R45 PolarHBondContact O-N 2.86Å; R45-L48 PolarHBondContact O-N 3.29Å; R45-I49 VanDerWaalsContact O-CG1 3.31Å; R45-I49 WeakPolarHBondContact O-CG1 3.41Å; R45-I49 PolarHBondContact O-N 3.37Å; R45-E511 IonicContact NH2-OE1 3.73Å; R45-E511 IonicContact NH2-OE2 3.04Å; R45-E511 PolarHBondContact NH2-OE2 3.44Å
46	I	90.2	Very high	86.2	Confident	69 Å²	69	38.3 Å²	38.3	35%	0.354	18%	0.181	S	C	.	.	H	α-helix	trans	-64.9	-46.1	177.4	-65.5	-176	0	0	0	111	W42 I43 L48 I49 L50 L423	W42-I46 HydrophobicContact CE3-CD1 3.51Å; W42-I46 HydrophobicContact CE3-CG1 4.33Å; W42-I46 HydrophobicContact CZ3-CD1 3.65Å; W42-I46 PolarHBondContact O-N 3.11Å; I43-I46 PolarHBondContact O-N 3.06Å; I46-L48 VanDerWaalsContact C-N 3.31Å; I46-L48 PolarHBondContact O-N 2.84Å; I46-I49 PolarHBondContact O-N 2.84Å; I46-L50 VanDerWaalsContact O-CB 3.3Å; I46-L50 WeakPolarHBondContact O-CB 3.47Å; I46-L50 PolarHBondContact O-N 2.64Å; I46-L423 HydrophobicContact CG2-CD1 3.95Å
47	L	90.2	Very high	87.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-41.9	177.7	-74	171.8	0	0	0	111.6	I43 I49 L50 T51 L355	I43-L47 HydrophobicContact CD1-CG 4.46Å; I43-L47 HydrophobicContact CG1-CD1 4.01Å; I43-L47 HydrophobicContact CG1-CG 4.34Å; I43-L47 WeakPolarHBondContact O-CB 3.37Å; I43-L47 VanDerWaalsContact O-CG 3.3Å; I43-L47 WeakPolarHBondContact O-CG 3.2Å; I43-L47 PolarHBondContact O-N 3.13Å; L47-I49 PolarHBondContact O-N 2.94Å; L47-L50 PolarHBondContact O-N 3.49Å; L47-T51 VanDerWaalsContact O-CB 3.28Å; L47-T51 WeakPolarHBondContact O-CB 3.1Å; L47-T51 VanDerWaalsContact O-CG2 3.23Å; L47-T51 WeakPolarHBondContact O-CG2 3.41Å; L47-T51 PolarHBondContact O-N 3.07Å; L47-T51 PolarHBondContact O-OG1 3.42Å; L47-L355 HydrophobicContact CD1-CD1 4.4Å
48	L	91.3	Very high	88.5	Confident	43 Å²	43	39 Å²	39	23%	0.225	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-42.8	176.2	-175.7	142.5	0	0	0	111.8	D44 R45 I46 V52 C53 H159	D44-L48 VanDerWaalsContact O-CB 3.31Å; D44-L48 WeakPolarHBondContact O-CB 3.34Å; D44-L48 PolarHBondContact O-N 3.46Å; R45-L48 PolarHBondContact O-N 3.29Å; I46-L48 VanDerWaalsContact C-N 3.31Å; I46-L48 PolarHBondContact O-N 2.84Å; L48-V52 WeakPolarHBondContact O-CA 3.03Å; L48-V52 VanDerWaalsContact O-CB 3.24Å; L48-V52 WeakPolarHBondContact O-CB 3.47Å; L48-V52 PolarHBondContact O-N 3.12Å; L48-C53 PolarHBondContact O-N 2.9Å; L48-C53 VanDerWaalsContact O-N 3.15Å; L48-H159 HydrophobicContact CD1-CB 4.17Å
49	I	91.4	Very high	89.2	Confident	64 Å²	64	35.2 Å²	35.2	33%	0.328	18%	0.176	S	C	.	.	I	π-helix	trans	-62.8	-50.9	176.1	-67.7	164.5	0	0	0	110.4	R45 I46 L47 T51 C53 I54	R45-I49 VanDerWaalsContact O-CG1 3.31Å; R45-I49 WeakPolarHBondContact O-CG1 3.41Å; R45-I49 PolarHBondContact O-N 3.37Å; I46-I49 PolarHBondContact O-N 2.84Å; L47-I49 PolarHBondContact O-N 2.94Å; I49-T51 VanDerWaalsContact C-N 3.34Å; I49-T51 PolarHBondContact O-N 3.01Å; I49-C53 WeakPolarHBondContact O-CB 3.05Å; I49-C53 PolarHBondContact O-N 3.31Å; I49-I54 WeakPolarHBondContact O-CG1 3.42Å; I49-I54 PolarHBondContact O-N 2.76Å
50	L	91	Very high	90	Very high	24 Å²	24	40.8 Å²	40.8	13%	0.126	20%	0.2	C	C	.	.	I	π-helix	trans	-64.7	-37.5	-173.3	-168.2	77.4	0	0	0	112.5	I46 L47 I54 L416 T419	I46-L50 VanDerWaalsContact O-CB 3.3Å; I46-L50 WeakPolarHBondContact O-CB 3.47Å; I46-L50 PolarHBondContact O-N 2.64Å; L47-L50 PolarHBondContact O-N 3.49Å; L50-I54 HydrophobicContact CD1-CD1 4.24Å; L50-L416 HydrophobicContact CD1-CD2 3.36Å; L50-L416 WeakPolarHBondContact CD2-O 3.33Å; L50-L416 HydrophobicContact CG-CB 4.32Å; L50-L416 HydrophobicContact CG-CD2 3.89Å; L50-T419 HydrophobicContact CD2-CG2 4.15Å
51	T	89.5	Confident	90.5	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	21%	0.213	C	C	.	.	I	π-helix	trans	-110.1	-18.6	-165.8	69.5	0	0	0	0	113.8	L47 I49 P55 M155 H359	L47-T51 VanDerWaalsContact O-CB 3.28Å; L47-T51 WeakPolarHBondContact O-CB 3.1Å; L47-T51 VanDerWaalsContact O-CG2 3.23Å; L47-T51 WeakPolarHBondContact O-CG2 3.41Å; L47-T51 PolarHBondContact O-N 3.07Å; L47-T51 PolarHBondContact O-OG1 3.42Å; I49-T51 VanDerWaalsContact C-N 3.34Å; I49-T51 PolarHBondContact O-N 3.01Å; T51-P55 WeakPolarHBondContact O-CG 3.19Å; T51-M155 HydrophobicContact CG2-CE 4.06Å; T51-H359 VanDerWaalsContact CG2-CE1 3.41Å; T51-H359 WeakPolarHBondContact CG2-CE1 3.44Å
52	V	92.6	Very high	90.9	Very high	16 Å²	16	43.2 Å²	43.2	10%	0.097	21%	0.213	C	C	.	.	I	π-helix	trans	-114.2	-58.1	177.6	-175.6	0	0	0	0	110	L48 I54 P55 V56 A152 M155 W156	L48-V52 WeakPolarHBondContact O-CA 3.03Å; L48-V52 VanDerWaalsContact O-CB 3.24Å; L48-V52 WeakPolarHBondContact O-CB 3.47Å; L48-V52 PolarHBondContact O-N 3.12Å; V52-I54 PolarHBondContact O-N 2.99Å; V52-P55 WeakPolarHBondContact O-CD 3.34Å; V52-V56 HydrophobicContact CG1-CG2 4.49Å; V52-V56 WeakPolarHBondContact O-CB 3.3Å; V52-V56 WeakPolarHBondContact O-CG2 3.39Å; V52-V56 PolarHBondContact O-N 2.79Å; V52-A152 HydrophobicContact CG1-CB 4.32Å; V52-M155 HydrophobicContact CG2-CB 4.01Å; V52-W156 HydrophobicContact CG1-CB 4.1Å; V52-W156 HydrophobicContact CG2-CB 4.06Å
53	C	93.2	Very high	91.2	Very high	32 Å²	32	40.7 Å²	40.7	22%	0.216	21%	0.207	C	C	.	.	I	π-helix	trans	-64.4	-47.2	-173.9	-60.7	0	0	0	0	112.3	L48 I49 V56 I57	L48-C53 PolarHBondContact O-N 2.9Å; L48-C53 VanDerWaalsContact O-N 3.15Å; I49-C53 WeakPolarHBondContact O-CB 3.05Å; I49-C53 PolarHBondContact O-N 3.31Å; C53-V56 PolarHBondContact O-N 3.25Å; C53-I57 WeakPolarHBondContact O-CD1 3.42Å; C53-I57 VanDerWaalsContact O-CG1 3.22Å; C53-I57 WeakPolarHBondContact O-CG1 3.44Å; C53-I57 PolarHBondContact O-N 2.85Å
54	I	92.8	Very high	91.3	Very high	54 Å²	54	45.9 Å²	45.9	28%	0.277	23%	0.234	S	C	.	.	H	α-helix	trans	-62.9	-50.3	-179.3	-63.9	173.9	0	0	0	111.3	I49 L50 V52 V56 I57 Q58 L416	I49-I54 WeakPolarHBondContact O-CG1 3.42Å; I49-I54 PolarHBondContact O-N 2.76Å; L50-I54 HydrophobicContact CD1-CD1 4.24Å; V52-I54 PolarHBondContact O-N 2.99Å; I54-V56 VanDerWaalsContact C-N 3.32Å; I54-V56 PolarHBondContact O-N 2.83Å; I54-I57 PolarHBondContact O-N 3.44Å; I54-Q58 HydrophobicContact CG2-CG 4.3Å; I54-Q58 WeakPolarHBondContact O-CG 3.43Å; I54-Q58 PolarHBondContact O-N 2.86Å; I54-L416 HydrophobicContact CB-CD1 4.21Å; I54-L416 HydrophobicContact CD1-CD2 3.92Å; I54-L416 HydrophobicContact CG2-CD1 3.58Å; I54-L416 HydrophobicContact CG2-CD2 4.4Å
55	P	92.6	Very high	91.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-35.6	176.9	-30.5	40.8	0	0	0	114.4	T51 V52 Q58 A59 Y151 A152 L413	T51-P55 WeakPolarHBondContact O-CG 3.19Å; V52-P55 WeakPolarHBondContact O-CD 3.34Å; P55-Q58 PolarHBondContact O-N 3.17Å; P55-A59 WeakPolarHBondContact O-CB 2.99Å; P55-A59 PolarHBondContact O-N 2.98Å; P55-Y151 HydrophobicContact CB-CD1 4.35Å; P55-Y151 HydrophobicContact CB-CE1 4.49Å; P55-Y151 HydrophobicContact CG-CE1 4.16Å; P55-A152 HydrophobicContact CB-CB 4.42Å; P55-L413 HydrophobicContact CG-CD1 4.14Å
56	V	94	Very high	91.1	Very high	42 Å²	42	44.2 Å²	44.2	26%	0.255	23%	0.231	S	C	.	.	H	α-helix	trans	-64.6	-46.2	174.5	169.9	0	0	0	0	111	V52 C53 I54 Q58 A59 F60 A152	V52-V56 HydrophobicContact CG1-CG2 4.49Å; V52-V56 WeakPolarHBondContact O-CB 3.3Å; V52-V56 WeakPolarHBondContact O-CG2 3.39Å; V52-V56 PolarHBondContact O-N 2.79Å; C53-V56 PolarHBondContact O-N 3.25Å; I54-V56 VanDerWaalsContact C-N 3.32Å; I54-V56 PolarHBondContact O-N 2.83Å; V56-Q58 VanDerWaalsContact C-N 3.32Å; V56-Q58 PolarHBondContact O-N 2.86Å; V56-A59 PolarHBondContact O-N 3.34Å; V56-F60 HydrophobicContact CG1-CD2 3.63Å; V56-F60 HydrophobicContact CG1-CE2 3.39Å; V56-F60 WeakPolarHBondContact O-CD2 3.49Å; V56-F60 PolarHBondContact O-N 3.21Å; V56-A152 HydrophobicContact CG2-CB 3.52Å
57	I	94	Very high	90.8	Very high	105 Å²	105	45 Å²	45	54%	0.538	25%	0.248	S	C	.	.	H	α-helix	trans	-60.6	-44.6	175.9	-67.4	164.4	0	0	0	110	C53 I54 A59 F60 V61	C53-I57 WeakPolarHBondContact O-CD1 3.42Å; C53-I57 VanDerWaalsContact O-CG1 3.22Å; C53-I57 WeakPolarHBondContact O-CG1 3.44Å; C53-I57 PolarHBondContact O-N 2.85Å; I54-I57 PolarHBondContact O-N 3.44Å; I57-A59 VanDerWaalsContact C-N 3.35Å; I57-A59 PolarHBondContact O-N 3.4Å; I57-F60 PolarHBondContact O-N 3.14Å; I57-V61 HydrophobicContact CG2-CG2 4.28Å; I57-V61 VanDerWaalsContact O-CG2 3.27Å; I57-V61 WeakPolarHBondContact O-CG2 3.5Å; I57-V61 PolarHBondContact O-N 3.5Å
58	Q	92.8	Very high	90.6	Very high	42 Å²	42	51.2 Å²	51.2	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-58.7	-44.8	176.2	-73	-177.9	-9.3	0	0	112	I54 P55 V56 V61 L62 L148 S409 S412	I54-Q58 HydrophobicContact CG2-CG 4.3Å; I54-Q58 WeakPolarHBondContact O-CG 3.43Å; I54-Q58 PolarHBondContact O-N 2.86Å; P55-Q58 PolarHBondContact O-N 3.17Å; V56-Q58 VanDerWaalsContact C-N 3.32Å; V56-Q58 PolarHBondContact O-N 2.86Å; Q58-V61 PolarHBondContact O-N 2.94Å; Q58-L62 WeakPolarHBondContact O-CB 3.46Å; Q58-L62 VanDerWaalsContact O-CG 3.29Å; Q58-L62 WeakPolarHBondContact O-CG 3.38Å; Q58-L62 PolarHBondContact O-N 2.75Å; Q58-L148 HydrophobicContact CB-CD1 4.34Å; Q58-S409 PolarHBondContact OE1-OG 2.91Å; Q58-S412 PolarHBondContact NE2-OG 3.35Å
59	A	91.6	Very high	90	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-45.7	177.4	0	0	0	0	0	112	P55 V56 I57 L62 L63 P145 L148 I149	P55-A59 WeakPolarHBondContact O-CB 2.99Å; P55-A59 PolarHBondContact O-N 2.98Å; V56-A59 PolarHBondContact O-N 3.34Å; I57-A59 VanDerWaalsContact C-N 3.35Å; I57-A59 PolarHBondContact O-N 3.4Å; A59-L62 PolarHBondContact O-N 3.29Å; A59-L63 WeakPolarHBondContact O-CB 3.08Å; A59-L63 VanDerWaalsContact O-CG 3.32Å; A59-L63 WeakPolarHBondContact O-CG 3.26Å; A59-L63 PolarHBondContact O-N 3.47Å; A59-P145 HydrophobicContact CB-CB 4.43Å; A59-P145 WeakPolarHBondContact CB-O 3.32Å; A59-L148 HydrophobicContact CB-CB 3.97Å; A59-L148 HydrophobicContact CB-CD1 4.36Å; A59-I149 HydrophobicContact CB-CD1 4.12Å; A59-I149 HydrophobicContact CB-CG1 3.64Å
60	F	93	Very high	89.2	Confident	125 Å²	125	52 Å²	52	55%	0.548	29%	0.292	S	S	.	.	H	α-helix	trans	-64.5	-40.5	177.2	-78	-61.1	0	0	0	112.8	V56 I57 L62 L63 L64	V56-F60 HydrophobicContact CG1-CD2 3.63Å; V56-F60 HydrophobicContact CG1-CE2 3.39Å; V56-F60 WeakPolarHBondContact O-CD2 3.49Å; V56-F60 PolarHBondContact O-N 3.21Å; I57-F60 PolarHBondContact O-N 3.14Å; F60-L62 VanDerWaalsContact C-N 3.34Å; F60-L63 PolarHBondContact O-N 3.06Å; F60-L64 WeakPolarHBondContact O-CB 3.32Å; F60-L64 PolarHBondContact O-N 2.75Å
61	V	91.9	Very high	88.4	Confident	85 Å²	85	52.2 Å²	52.2	52%	0.515	29%	0.294	S	S	.	.	H	α-helix	trans	-63.6	-42.2	176	171.7	0	0	0	0	110.7	I57 Q58 L64 L65	I57-V61 HydrophobicContact CG2-CG2 4.28Å; I57-V61 VanDerWaalsContact O-CG2 3.27Å; I57-V61 WeakPolarHBondContact O-CG2 3.5Å; I57-V61 PolarHBondContact O-N 3.5Å; Q58-V61 PolarHBondContact O-N 2.94Å; V61-L64 PolarHBondContact O-N 2.8Å; V61-L65 VanDerWaalsContact O-CB 3.31Å; V61-L65 WeakPolarHBondContact O-CB 3.5Å; V61-L65 PolarHBondContact O-N 2.62Å
62	L	89.8	Confident	87.8	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-43.8	176.5	-74.6	170.7	0	0	0	112.3	Q58 A59 F60 L65 H66 Y144 P145 L148 I405 V406	Q58-L62 WeakPolarHBondContact O-CB 3.46Å; Q58-L62 VanDerWaalsContact O-CG 3.29Å; Q58-L62 WeakPolarHBondContact O-CG 3.38Å; Q58-L62 PolarHBondContact O-N 2.75Å; A59-L62 PolarHBondContact O-N 3.29Å; F60-L62 VanDerWaalsContact C-N 3.34Å; L62-L65 WeakPolarHBondContact O-CB 3.37Å; L62-L65 PolarHBondContact O-N 3.13Å; L62-H66 VanDerWaalsContact O-CG 3.29Å; L62-H66 PolarHBondContact O-N 2.98Å; L62-Y144 HydrophobicContact CD1-CD1 3.75Å; L62-Y144 HydrophobicContact CD1-CE1 3.68Å; L62-P145 HydrophobicContact CB-CB 4.33Å; L62-L148 HydrophobicContact CD1-CD1 4.01Å; L62-I405 HydrophobicContact CD2-CG2 3.72Å; L62-V406 HydrophobicContact CD2-CG2 4.09Å
63	L	89.4	Confident	87.1	Confident	49 Å²	49	58 Å²	58	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-43.8	175.3	-74	169.3	0	0	0	111.9	A59 F60 L65 H66 A67 P145 F146 I149	A59-L63 WeakPolarHBondContact O-CB 3.08Å; A59-L63 VanDerWaalsContact O-CG 3.32Å; A59-L63 WeakPolarHBondContact O-CG 3.26Å; A59-L63 PolarHBondContact O-N 3.47Å; F60-L63 PolarHBondContact O-N 3.06Å; L63-L65 VanDerWaalsContact C-N 3.3Å; L63-L65 PolarHBondContact O-N 3.07Å; L63-H66 PolarHBondContact O-N 2.79Å; L63-A67 WeakPolarHBondContact O-CB 3.11Å; L63-A67 PolarHBondContact O-N 2.77Å; L63-P145 HydrophobicContact CD1-CB 4.39Å; L63-P145 HydrophobicContact CD2-CB 3.88Å; L63-P145 HydrophobicContact CD2-CG 3.72Å; L63-P145 HydrophobicContact CG-CB 3.73Å; L63-P145 HydrophobicContact CG-CG 4.13Å; L63-F146 HydrophobicContact CD2-CE2 4.17Å; L63-F146 HydrophobicContact CD2-CZ 4.03Å; L63-I149 HydrophobicContact CD1-CD1 4.28Å
64	L	90.1	Very high	86.2	Confident	109 Å²	109	57 Å²	57	57%	0.571	31%	0.308	S	S	*	.	H	α-helix	trans	-61.7	-41.9	175.7	-177.5	66.8	0	0	0	110.9	F60 V61 A67 L68	F60-L64 WeakPolarHBondContact O-CB 3.32Å; F60-L64 PolarHBondContact O-N 2.75Å; V61-L64 PolarHBondContact O-N 2.8Å; L64-A67 PolarHBondContact O-N 3.33Å; L64-L68 HydrophobicContact CD1-CD1 4.19Å; L64-L68 HydrophobicContact CD1-CG 4.35Å; L64-L68 HydrophobicContact CG-CD1 3.98Å; L64-L68 HydrophobicContact CG-CG 4.47Å; L64-L68 WeakPolarHBondContact O-CB 3.4Å; L64-L68 WeakPolarHBondContact O-CG 3.41Å; L64-L68 PolarHBondContact O-N 3.36Å
65	L	87.9	Confident	85.3	Confident	41 Å²	41	58.9 Å²	58.9	22%	0.215	32%	0.318	C	S	.	.	H	α-helix	trans	-65.5	-43.1	178.5	-166.2	70.1	0	0	0	111.8	V61 L62 L63 A67 L68 L69 T402 I405	V61-L65 VanDerWaalsContact O-CB 3.31Å; V61-L65 WeakPolarHBondContact O-CB 3.5Å; V61-L65 PolarHBondContact O-N 2.62Å; L62-L65 WeakPolarHBondContact O-CB 3.37Å; L62-L65 PolarHBondContact O-N 3.13Å; L63-L65 VanDerWaalsContact C-N 3.3Å; L63-L65 PolarHBondContact O-N 3.07Å; L65-A67 VanDerWaalsContact C-N 3.29Å; L65-A67 PolarHBondContact O-N 3.48Å; L65-L68 PolarHBondContact O-N 3.13Å; L65-L69 HydrophobicContact CD1-CD1 3.44Å; L65-L69 VanDerWaalsContact CD1-CD1 3.44Å; L65-L69 HydrophobicContact CD1-CG 4.05Å; L65-L69 HydrophobicContact CG-CD1 3.83Å; L65-L69 HydrophobicContact CG-CG 4.48Å; L65-L69 WeakPolarHBondContact O-CB 3.45Å; L65-L69 PolarHBondContact O-N 3.4Å; L65-T402 HydrophobicContact CD2-CG2 3.46Å; L65-T402 VanDerWaalsContact CD2-CG2 3.46Å; L65-T402 HydrophobicContact CG-CG2 3.84Å; L65-I405 HydrophobicContact CD2-CD1 3.42Å; L65-I405 VanDerWaalsContact CD2-CD1 3.42Å
66	H	85	Confident	84	Confident	22 Å²	22	60.2 Å²	60.2	10%	0.102	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-37.3	173.4	-70.5	173	0	0	0	111.9	L62 L63 G70 V71 H141 T402	L62-H66 VanDerWaalsContact O-CG 3.29Å; L62-H66 PolarHBondContact O-N 2.98Å; L63-H66 PolarHBondContact O-N 2.79Å; H66-G70 VanDerWaalsContact O-CA 3.3Å; H66-G70 WeakPolarHBondContact O-CA 3.13Å; H66-G70 PolarHBondContact O-N 3.37Å; H66-V71 HydrophobicContact CB-CG2 4.32Å; H66-H141 AromaticContact NE2-CE1 3.59Å; H66-T402 PolarHBondContact CD2-OG1 3.41Å; H66-T402 PolarHBondContact NE2-OG1 3.42Å
67	A	83.8	Confident	82.5	Confident	84 Å²	84	62 Å²	62	69%	0.694	34%	0.335	S	S	*	.	H	α-helix	trans	-70.7	-37.9	177	0	0	0	0	0	113.4	L63 L64 L65	L63-A67 WeakPolarHBondContact O-CB 3.11Å; L63-A67 PolarHBondContact O-N 2.77Å; L64-A67 PolarHBondContact O-N 3.33Å; L65-A67 VanDerWaalsContact C-N 3.29Å; L65-A67 PolarHBondContact O-N 3.48Å
68	L	84.9	Confident	80.8	Confident	132 Å²	132	60.5 Å²	60.5	69%	0.691	33%	0.331	S	S	*	.	H	α-helix	trans	-82.2	-46.1	-176.6	-70.4	175.5	0	0	0	113.5	L64 L65	L64-L68 HydrophobicContact CD1-CD1 4.19Å; L64-L68 HydrophobicContact CD1-CG 4.35Å; L64-L68 HydrophobicContact CG-CD1 3.98Å; L64-L68 HydrophobicContact CG-CG 4.47Å; L64-L68 WeakPolarHBondContact O-CB 3.4Å; L64-L68 WeakPolarHBondContact O-CG 3.41Å; L64-L68 PolarHBondContact O-N 3.36Å; L65-L68 PolarHBondContact O-N 3.13Å
69	L	79.8	Confident	78.9	Confident	92 Å²	92	68.4 Å²	68.4	48%	0.482	36%	0.364	S	S	.	.	H	α-helix	trans	-90.6	-18	-174.5	-67.5	-179.5	0	0	0	113.2	L65 Q401	L65-L69 HydrophobicContact CD1-CD1 3.44Å; L65-L69 VanDerWaalsContact CD1-CD1 3.44Å; L65-L69 HydrophobicContact CD1-CG 4.05Å; L65-L69 HydrophobicContact CG-CD1 3.83Å; L65-L69 HydrophobicContact CG-CG 4.48Å; L65-L69 WeakPolarHBondContact O-CB 3.45Å; L65-L69 PolarHBondContact O-N 3.4Å; L69-Q401 PolarHBondContact O-NE2 3.4Å; L69-Q401 PolarHBondContact O-OE1 2.9Å
70	G	72.6	Confident	76.7	Confident	30 Å²	30	75.9 Å²	75.9	31%	0.309	40%	0.399	S	S	.	.			trans	75.6	160.6	-162.7	0	0	0	0	0	111.7	H66	H66-G70 VanDerWaalsContact O-CA 3.3Å; H66-G70 WeakPolarHBondContact O-CA 3.13Å; H66-G70 PolarHBondContact O-N 3.37Å
71	V	75.8	Confident	74.6	Confident	30 Å²	30	78.2 Å²	78.2	18%	0.182	42%	0.417	C	S	.	.	S	Bend	trans	-79.9	-39.2	-177.4	-177.2	0	0	0	0	110.9	H66 E142 L400 Q401	H66-V71 HydrophobicContact CB-CG2 4.32Å; V71-E142 HydrophobicContact CG1-CG 4.05Å; V71-L400 HydrophobicContact CG1-CD2 4.11Å; V71-L400 WeakPolarHBondContact O-CA 3.48Å; V71-Q401 PolarHBondContact O-N 2.91Å
72	T	75.9	Confident	72.5	Confident	5 Å²	5	82.9 Å²	82.9	3%	0.031	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.4	-164.6	56.2	0	0	0	0	111.2	D94 L101 F382	T72-D94 WeakPolarHBondContact O-CB 3.4Å; T72-D94 PolarHBondContact OG1-O 3.16Å; T72-L101 HydrophobicContact CG2-CD2 4.28Å; T72-F382 HydrophobicContact CG2-CE1 3.49Å; T72-F382 VanDerWaalsContact CG2-CE1 3.49Å; T72-F382 HydrophobicContact CG2-CZ 3.39Å
73	R	78.4	Confident	70.8	Confident	134 Å²	134	86.5 Å²	86.5	51%	0.506	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.2	169.7	-165.8	172.3	-179.1	155.9	-0.2	109.3	C398 M399 Q401	R73-C398 CarbonylContact O-C 3.51Å; R73-C398 VanDerWaalsContact O-CA 3.28Å; R73-C398 WeakPolarHBondContact O-CA 3.13Å; R73-M399 PolarHBondContact N-O 2.89Å; R73-M399 PolarHBondContact O-N 3.09Å; R73-Q401 HydrophobicContact CB-CG 4.06Å
74	C	74.4	Confident	69.2	Low	12 Å²	12	89.7 Å²	89.7	8%	0.081	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.8	-172.9	-63.9	0	0	0	0	110.6	I93 D94 C97 F396 C398	C74-I93 HydrophobicContact CB-CG2 4.18Å; C74-D94 WeakPolarHBondContact CB-OD1 3.49Å; C74-D94 PolarHBondContact N-OD1 2.88Å; C74-C97 WeakPolarHBondContact SG-CB 3.45Å; C74-F396 HydrophobicContact CB-CB 4.22Å; C74-C398 HydrophobicContact CB-CB 4.13Å; C74-C398 WeakPolarHBondContact CB-SG 3.19Å; C74-C398 WeakPolarHBondContact SG-CB 3.12Å; C74-C398 CovalentContact SG-SG 2.04Å; C74-C398 PolarHBondContact SG-SG 3.31Å
75	L	73.5	Confident	67.4	Low	93 Å²	93	93.2 Å²	93.2	49%	0.487	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.9	170.8	-74	94.4	0	0	0	109.5	F396 I397	L75-F396 CarbonylContact O-C 3.6Å; L75-F396 WeakPolarHBondContact O-CA 3.42Å; L75-I397 PolarHBondContact N-O 2.91Å; L75-I397 PolarHBondContact O-N 2.77Å
76	P	66.3	Low	65.7	Low	27 Å²	27	99.8 Å²	99.8	18%	0.175	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	135.5	175.6	27.8	-33.1	0	0	0	110.3	T78 L83 F396	P76-T78 HydrophobicContact CB-CG2 4.19Å; P76-T78 PolarHBondContact O-N 2.83Å; P76-L83 HydrophobicContact CG-CD1 3.77Å; P76-F396 HydrophobicContact CB-CD1 4.02Å; P76-F396 HydrophobicContact CB-CE1 3.81Å
77	D	62.6	Low	64.3	Low	81 Å²	81	101.1 Å²	101.1	43%	0.433	51%	0.507	S	S	.	.			trans	-79.8	67.6	173.9	-172.7	20	0	0	0	110	L395 I397	D77-L395 HydrophobicContact CB-CD2 4.02Å; D77-L395 WeakPolarHBondContact CB-O 3.42Å; D77-L395 PolarHBondContact N-O 2.87Å; D77-I397 HydrophobicContact CB-CD1 4.45Å; D77-I397 HydrophobicContact CB-CG1 4.45Å
78	T	56.6	Low	62.9	Low	72 Å²	72	100.5 Å²	100.5	44%	0.442	49%	0.491	S	S	.	.			trans	-106.4	114.5	178.5	52.4	0	0	0	0	110.3	P76 E80	P76-T78 HydrophobicContact CB-CG2 4.19Å; P76-T78 PolarHBondContact O-N 2.83Å; T78-E80 PolarHBondContact O-N 2.77Å; T78-E80 VanDerWaalsContact O-N 3.15Å
79	K	52.9	Low	61.5	Low	208 Å²	208	97.6 Å²	97.6	90%	0.904	48%	0.479	S	S	*	.			trans	-65.1	-1	162.1	-71.6	-175.5	177.6	178.2	0	113.2
80	E	46	Very low	60.8	Low	157 Å²	157	96.1 Å²	96.1	73%	0.734	47%	0.472	S	S	*	.	S	Bend	trans	-94.8	120.2	-176.8	-64	-172.8	168	0	0	110.7	T78 K82	T78-E80 PolarHBondContact O-N 2.77Å; T78-E80 VanDerWaalsContact O-N 3.15Å; E80-K82 PolarHBondContact O-N 3.25Å
81	N	48.1	Very low	60.8	Low	174 Å²	174	98.8 Å²	98.8	93%	0.93	48%	0.483	S	S	*	.	S	Bend	trans	-62.1	14.3	-175.9	-80.4	-21.3	0	0	0	116.1
82	K	49.5	Very low	60.8	Low	183 Å²	183	104.6 Å²	104.6	80%	0.796	51%	0.506	S	S	*	.			trans	-117.2	76.5	176.5	-73.2	-174.2	178.5	179.9	0	109.6	E80 D84	E80-K82 PolarHBondContact O-N 3.25Å; K82-D84 PolarHBondContact O-N 3.13Å; K82-D84 VanDerWaalsContact O-N 3.12Å
83	L	53.5	Low	60.8	Low	82 Å²	82	105.5 Å²	105.5	43%	0.429	51%	0.51	S	S	.	.			trans	-74	97.3	170.4	-151.9	71.5	0	0	0	107.5	P76 Y85 I88	P76-L83 HydrophobicContact CG-CD1 3.77Å; L83-Y85 PolarHBondContact O-N 3.4Å; L83-Y85 VanDerWaalsContact O-N 3.16Å; L83-I88 HydrophobicContact CB-CD1 4.17Å; L83-I88 HydrophobicContact CD2-CD1 3.26Å; L83-I88 HydrophobicContact CD2-CG1 3.58Å; L83-I88 HydrophobicContact CG-CD1 3.57Å; L83-I88 HydrophobicContact CG-CG1 3.66Å
84	D	54.7	Low	60.7	Low	115 Å²	115	100.6 Å²	100.6	62%	0.615	49%	0.494	S	S	*	.			trans	-60.3	120.8	174.9	-83	-22.9	0	0	0	108.6	K82 Y86 T87	K82-D84 PolarHBondContact O-N 3.13Å; K82-D84 VanDerWaalsContact O-N 3.12Å; D84-Y86 PolarHBondContact O-N 3.11Å; D84-T87 WeakPolarHBondContact CB-OG1 3.4Å; D84-T87 WeakPolarHBondContact O-CB 3.24Å; D84-T87 PolarHBondContact O-N 3.48Å; D84-T87 PolarHBondContact O-OG1 3.44Å
85	Y	53.1	Low	60.8	Low	183 Å²	183	108.5 Å²	108.5	72%	0.718	52%	0.522	S	S	*	.	H	α-helix	trans	-51.1	-28.6	-179.6	-174.9	-94.8	0	0	0	112.6	L83 T87 I88 T89	L83-Y85 PolarHBondContact O-N 3.4Å; L83-Y85 VanDerWaalsContact O-N 3.16Å; Y85-T87 VanDerWaalsContact C-N 3.34Å; Y85-T87 PolarHBondContact O-N 3.31Å; Y85-I88 PolarHBondContact O-N 3.11Å; Y85-T89 HydrophobicContact CD1-CG2 4.28Å; Y85-T89 HydrophobicContact CE1-CG2 3.88Å; Y85-T89 PolarHBondContact O-N 3.31Å; Y85-T89 PolarHBondContact O-OG1 2.94Å
86	Y	52.9	Low	60.9	Low	179 Å²	179	105.5 Å²	105.5	70%	0.702	51%	0.51	S	S	*	.	H	α-helix	trans	-64.9	-33.8	176	-140.4	-88.7	0	0	0	113.3	D84 T89 N90	D84-Y86 PolarHBondContact O-N 3.11Å; Y86-T89 PolarHBondContact O-OG1 3.47Å; Y86-N90 WeakPolarHBondContact O-CB 3.43Å; Y86-N90 PolarHBondContact O-N 3.32Å; Y86-N90 PolarHBondContact O-ND2 2.83Å
87	T	54.2	Low	61.3	Low	51 Å²	51	104.2 Å²	104.2	31%	0.313	50%	0.502	S	S	.	.	H	α-helix	trans	-76.7	-33.2	178.5	-8.4	0	0	0	0	112	D84 Y85 T89 I93	D84-T87 WeakPolarHBondContact CB-OG1 3.4Å; D84-T87 WeakPolarHBondContact O-CB 3.24Å; D84-T87 PolarHBondContact O-N 3.48Å; D84-T87 PolarHBondContact O-OG1 3.44Å; Y85-T87 VanDerWaalsContact C-N 3.34Å; Y85-T87 PolarHBondContact O-N 3.31Å; T87-T89 VanDerWaalsContact C-N 3.33Å; T87-I93 HydrophobicContact CG2-CD1 4.06Å
88	I	54.5	Low	61.8	Low	70 Å²	70	100.8 Å²	100.8	36%	0.359	49%	0.486	S	S	.	.	H	α-helix	trans	-72.6	-29	179.3	-51.5	169.1	0	0	0	111.6	L83 Y85	L83-I88 HydrophobicContact CB-CD1 4.17Å; L83-I88 HydrophobicContact CD2-CD1 3.26Å; L83-I88 HydrophobicContact CD2-CG1 3.58Å; L83-I88 HydrophobicContact CG-CD1 3.57Å; L83-I88 HydrophobicContact CG-CG1 3.66Å; Y85-I88 PolarHBondContact O-N 3.11Å
89	T	57	Low	62.6	Low	72 Å²	72	102.6 Å²	102.6	44%	0.442	49%	0.492	S	S	.	.	S	Bend	trans	-97.9	-2.1	-176.2	49.7	0	0	0	0	113.4	Y85 Y86 T87 T91	Y85-T89 HydrophobicContact CD1-CG2 4.28Å; Y85-T89 HydrophobicContact CE1-CG2 3.88Å; Y85-T89 PolarHBondContact O-N 3.31Å; Y85-T89 PolarHBondContact O-OG1 2.94Å; Y86-T89 PolarHBondContact O-OG1 3.47Å; T87-T89 VanDerWaalsContact C-N 3.33Å; T89-T91 PolarHBondContact O-N 3.43Å
90	N	63.6	Low	63.6	Low	60 Å²	60	95 Å²	95	32%	0.321	46%	0.46	S	S	.	.			trans	-80.6	89.1	-173.3	-116.4	-21.4	0	0	0	111.9	Y86 F92 I93	Y86-N90 WeakPolarHBondContact O-CB 3.43Å; Y86-N90 PolarHBondContact O-N 3.32Å; Y86-N90 PolarHBondContact O-ND2 2.83Å; N90-F92 PolarHBondContact O-N 2.88Å; N90-I93 HydrophobicContact CB-CD1 4.27Å; N90-I93 HydrophobicContact CB-CG1 4.42Å; N90-I93 PolarHBondContact O-N 3.22Å
91	T	73.6	Confident	64.6	Low	87 Å²	87	87.9 Å²	87.9	53%	0.534	43%	0.427	S	S	.	.	H	α-helix	trans	-53.8	-17.6	171.8	59.4	0	0	0	0	113.8	T89 R95	T89-T91 PolarHBondContact O-N 3.43Å; T91-R95 WeakPolarHBondContact O-CB 3.33Å; T91-R95 VanDerWaalsContact O-CG 3.31Å; T91-R95 WeakPolarHBondContact O-CG 3.32Å; T91-R95 PolarHBondContact O-N 3.49Å
92	F	76.4	Confident	65.6	Low	152 Å²	152	81.4 Å²	81.4	67%	0.667	39%	0.394	S	S	*	.	H	α-helix	trans	-64.4	-43.8	174.1	-177.4	-96.6	0	0	0	112.6	N90 R95 A96	N90-F92 PolarHBondContact O-N 2.88Å; F92-R95 PolarHBondContact O-N 3.46Å; F92-A96 HydrophobicContact CE1-CB 4.45Å; F92-A96 VanDerWaalsContact O-CB 3.24Å; F92-A96 WeakPolarHBondContact O-CB 3.06Å; F92-A96 PolarHBondContact O-N 3.3Å
93	I	74.5	Confident	66.6	Low	23 Å²	23	75.6 Å²	75.6	12%	0.118	37%	0.373	C	S	.	.	H	α-helix	trans	-66.1	-44.1	-179.3	-63.7	173	0	0	0	109.5	C74 T87 N90 R95 A96 C97 I386 F396	C74-I93 HydrophobicContact CB-CG2 4.18Å; T87-I93 HydrophobicContact CG2-CD1 4.06Å; N90-I93 HydrophobicContact CB-CD1 4.27Å; N90-I93 HydrophobicContact CB-CG1 4.42Å; N90-I93 PolarHBondContact O-N 3.22Å; I93-R95 PolarHBondContact O-N 2.86Å; I93-A96 PolarHBondContact O-N 2.8Å; I93-C97 WeakPolarHBondContact O-CB 3.48Å; I93-C97 PolarHBondContact O-N 2.93Å; I93-I386 HydrophobicContact CG2-CD1 3.93Å; I93-F396 HydrophobicContact CD1-CE1 4.14Å; I93-F396 HydrophobicContact CD1-CZ 4.25Å; I93-F396 HydrophobicContact CG2-CD1 4.02Å; I93-F396 HydrophobicContact CG2-CE1 3.92Å; I93-F396 HydrophobicContact CG2-CG 4.38Å; I93-F396 HydrophobicContact CG2-CZ 4.18Å
94	D	76.4	Confident	67.2	Low	32 Å²	32	73.4 Å²	73.4	17%	0.171	36%	0.361	C	S	.	.	H	α-helix	trans	-57.1	-47.6	175.4	-71.5	-16.7	0	0	0	111.6	T72 C74 G98	T72-D94 WeakPolarHBondContact O-CB 3.4Å; T72-D94 PolarHBondContact OG1-O 3.16Å; C74-D94 WeakPolarHBondContact CB-OD1 3.49Å; C74-D94 PolarHBondContact N-OD1 2.88Å; D94-G98 PolarHBondContact O-N 3.09Å
95	R	77.1	Confident	67.6	Low	178 Å²	178	69.1 Å²	69.1	67%	0.672	34%	0.339	S	S	*	.	H	α-helix	trans	-69.2	-37.7	178	-74.3	179.2	-179.3	178.6	1.7	113	T91 F92 I93 G98 L99	T91-R95 WeakPolarHBondContact O-CB 3.33Å; T91-R95 VanDerWaalsContact O-CG 3.31Å; T91-R95 WeakPolarHBondContact O-CG 3.32Å; T91-R95 PolarHBondContact O-N 3.49Å; F92-R95 PolarHBondContact O-N 3.46Å; I93-R95 PolarHBondContact O-N 2.86Å; R95-G98 PolarHBondContact O-N 2.83Å; R95-L99 WeakPolarHBondContact O-CB 3.4Å; R95-L99 WeakPolarHBondContact O-CG 3.35Å; R95-L99 PolarHBondContact O-N 3.49Å
96	A	75.4	Confident	68.1	Low	29 Å²	29	67.3 Å²	67.3	24%	0.24	34%	0.341	C	S	.	.	H	α-helix	trans	-66.9	-45	178.6	0	0	0	0	0	111	F92 I93 L99 Q100	F92-A96 HydrophobicContact CE1-CB 4.45Å; F92-A96 VanDerWaalsContact O-CB 3.24Å; F92-A96 WeakPolarHBondContact O-CB 3.06Å; F92-A96 PolarHBondContact O-N 3.3Å; I93-A96 PolarHBondContact O-N 2.8Å; A96-L99 PolarHBondContact O-N 2.82Å; A96-Q100 VanDerWaalsContact O-CB 3.29Å; A96-Q100 WeakPolarHBondContact O-CB 3.25Å; A96-Q100 PolarHBondContact O-N 3.36Å
97	C	74.1	Confident	68.8	Low	1 Å²	1	65 Å²	65	1%	0.007	34%	0.337	C	S	.	.	H	α-helix	trans	-66.7	-38	174.8	-78.5	0	0	0	0	112.2	C74 I93 L101 C384	C74-C97 WeakPolarHBondContact SG-CB 3.45Å; I93-C97 WeakPolarHBondContact O-CB 3.48Å; I93-C97 PolarHBondContact O-N 2.93Å; C97-L101 VanDerWaalsContact O-CB 3.27Å; C97-L101 WeakPolarHBondContact O-CB 3.38Å; C97-L101 PolarHBondContact O-N 3.44Å; C97-C384 VanDerWaalsContact CA-SG 3.56Å; C97-C384 HydrophobicContact CB-CB 3.85Å; C97-C384 WeakPolarHBondContact CB-SG 3.34Å; C97-C384 WeakPolarHBondContact SG-CB 3.37Å; C97-C384 CovalentContact SG-SG 2.05Å; C97-C384 PolarHBondContact SG-SG 2.95Å
98	G	73.2	Confident	68.9	Low	9 Å²	9	65.6 Å²	65.6	9%	0.093	35%	0.352	C	S	.	.	H	α-helix	trans	-63.3	-45.8	172.2	0	0	0	0	0	112.6	D94 R95 L101 T102	D94-G98 PolarHBondContact O-N 3.09Å; R95-G98 PolarHBondContact O-N 2.83Å; G98-L101 VanDerWaalsContact O-CB 3.32Å; G98-L101 WeakPolarHBondContact O-CB 3.48Å; G98-L101 PolarHBondContact O-N 3.49Å; G98-T102 WeakPolarHBondContact O-CG2 3.45Å; G98-T102 PolarHBondContact O-N 2.91Å
99	L	74.8	Confident	68.9	Low	109 Å²	109	65.5 Å²	65.5	57%	0.571	36%	0.355	S	S	*	.	H	α-helix	trans	-65.2	-44.1	176	-78.2	166	0	0	0	111.6	R95 A96 L101 T102 T103	R95-L99 WeakPolarHBondContact O-CB 3.4Å; R95-L99 WeakPolarHBondContact O-CG 3.35Å; R95-L99 PolarHBondContact O-N 3.49Å; A96-L99 PolarHBondContact O-N 2.82Å; L99-L101 PolarHBondContact O-N 3.33Å; L99-T102 WeakPolarHBondContact CA-OG1 3.47Å; L99-T102 PolarHBondContact O-N 3.13Å; L99-T102 PolarHBondContact O-OG1 3.17Å; L99-T103 WeakPolarHBondContact O-CB 3.39Å; L99-T103 PolarHBondContact O-N 3.32Å; L99-T103 PolarHBondContact O-OG1 2.73Å
100	Q	73.8	Confident	68.7	Low	49 Å²	49	65.4 Å²	65.4	23%	0.229	36%	0.355	C	S	.	.	H	α-helix	trans	-58.4	-41.1	175.1	-176.9	176.3	-16.8	0	0	110.9	A96 T103 E104	A96-Q100 VanDerWaalsContact O-CB 3.29Å; A96-Q100 WeakPolarHBondContact O-CB 3.25Å; A96-Q100 PolarHBondContact O-N 3.36Å; Q100-T103 PolarHBondContact O-N 2.98Å; Q100-E104 HydrophobicContact CG-CG 4.29Å; Q100-E104 PolarHBondContact NE2-OE1 2.75Å; Q100-E104 WeakPolarHBondContact O-CB 3.11Å; Q100-E104 WeakPolarHBondContact O-CG 3.5Å; Q100-E104 PolarHBondContact O-N 3.38Å
101	L	66.4	Low	68.2	Low	8 Å²	8	69 Å²	69	4%	0.042	37%	0.367	C	S	.	.	H	α-helix	trans	-58.3	-53.6	173.9	-173.4	70.9	0	0	0	111.1	T72 C97 G98 L99 T103 E104 V105 R138 F382	T72-L101 HydrophobicContact CG2-CD2 4.28Å; C97-L101 VanDerWaalsContact O-CB 3.27Å; C97-L101 WeakPolarHBondContact O-CB 3.38Å; C97-L101 PolarHBondContact O-N 3.44Å; G98-L101 VanDerWaalsContact O-CB 3.32Å; G98-L101 WeakPolarHBondContact O-CB 3.48Å; G98-L101 PolarHBondContact O-N 3.49Å; L99-L101 PolarHBondContact O-N 3.33Å; L101-T103 PolarHBondContact O-N 3.19Å; L101-E104 PolarHBondContact O-N 3.48Å; L101-V105 WeakPolarHBondContact O-CB 3.44Å; L101-V105 WeakPolarHBondContact O-CG2 3.17Å; L101-V105 PolarHBondContact O-N 2.85Å; L101-R138 HydrophobicContact CD1-CB 4.06Å; L101-R138 HydrophobicContact CD1-CG 4.18Å; L101-F382 HydrophobicContact CD1-CD2 4.27Å; L101-F382 HydrophobicContact CD1-CE2 4.33Å; L101-F382 HydrophobicContact CD2-CE1 4.37Å; L101-F382 HydrophobicContact CD2-CE2 4.35Å; L101-F382 HydrophobicContact CD2-CZ 4.13Å
102	T	68.3	Low	66.8	Low	38 Å²	38	69.7 Å²	69.7	23%	0.233	37%	0.373	C	S	.	.	H	α-helix	trans	-56	-38.6	177.4	66	0	0	0	0	111.8	G98 L99 L106 E142	G98-T102 WeakPolarHBondContact O-CG2 3.45Å; G98-T102 PolarHBondContact O-N 2.91Å; L99-T102 WeakPolarHBondContact CA-OG1 3.47Å; L99-T102 PolarHBondContact O-N 3.13Å; L99-T102 PolarHBondContact O-OG1 3.17Å; T102-L106 WeakPolarHBondContact O-CB 3.45Å; T102-L106 VanDerWaalsContact O-CG 3.24Å; T102-L106 WeakPolarHBondContact O-CG 3.36Å; T102-L106 PolarHBondContact O-N 2.8Å; T102-E142 WeakPolarHBondContact CA-OE2 2.99Å; T102-E142 VanDerWaalsContact CG2-CD 3.41Å; T102-E142 VanDerWaalsContact CG2-OE1 3.31Å; T102-E142 WeakPolarHBondContact CG2-OE1 3.49Å; T102-E142 WeakPolarHBondContact CG2-OE2 3.08Å
103	T	71.8	Confident	65.5	Low	60 Å²	60	65.8 Å²	65.8	37%	0.368	36%	0.359	S	S	.	.	H	α-helix	trans	-74.8	-46.9	-174	-41.1	0	0	0	0	111.1	L99 Q100 L101 V105 L106 Q107	L99-T103 WeakPolarHBondContact O-CB 3.39Å; L99-T103 PolarHBondContact O-N 3.32Å; L99-T103 PolarHBondContact O-OG1 2.73Å; Q100-T103 PolarHBondContact O-N 2.98Å; L101-T103 PolarHBondContact O-N 3.19Å; T103-V105 PolarHBondContact O-N 2.81Å; T103-L106 PolarHBondContact O-N 3.45Å; T103-Q107 WeakPolarHBondContact O-CB 3.21Å; T103-Q107 VanDerWaalsContact O-CG 3.26Å; T103-Q107 WeakPolarHBondContact O-CG 3.4Å; T103-Q107 PolarHBondContact O-N 3.24Å
104	E	66.5	Low	64.2	Low	37 Å²	37	66.6 Å²	66.6	17%	0.173	37%	0.366	C	S	.	.	H	α-helix	trans	-61.7	-37.5	176.8	-73.4	-179.4	-179.9	0	0	111.1	Q100 L101 G108 T109 K111	Q100-E104 HydrophobicContact CG-CG 4.29Å; Q100-E104 PolarHBondContact NE2-OE1 2.75Å; Q100-E104 WeakPolarHBondContact O-CB 3.11Å; Q100-E104 WeakPolarHBondContact O-CG 3.5Å; Q100-E104 PolarHBondContact O-N 3.38Å; L101-E104 PolarHBondContact O-N 3.48Å; E104-G108 PolarHBondContact O-N 3.5Å; E104-G108 VanDerWaalsContact O-N 3.14Å; E104-T109 PolarHBondContact O-N 2.69Å; E104-T109 PolarHBondContact O-OG1 2.69Å; E104-K111 WeakPolarHBondContact OE1-CD 3.45Å; E104-K111 WeakPolarHBondContact OE1-CE 3.19Å; E104-K111 IonicContact OE1-NZ 2.79Å; E104-K111 PolarHBondContact OE1-NZ 2.9Å
105	V	63.2	Low	62.5	Low	24 Å²	24	71.2 Å²	71.2	15%	0.145	39%	0.39	C	S	.	.	H	α-helix	trans	-65.5	-49.5	175.4	160.4	0	0	0	0	112.2	L101 T103 Q107 G108 R138 L139	L101-V105 WeakPolarHBondContact O-CB 3.44Å; L101-V105 WeakPolarHBondContact O-CG2 3.17Å; L101-V105 PolarHBondContact O-N 2.85Å; T103-V105 PolarHBondContact O-N 2.81Å; V105-Q107 VanDerWaalsContact C-N 3.31Å; V105-Q107 PolarHBondContact O-N 2.95Å; V105-G108 PolarHBondContact O-N 3.18Å; V105-R138 HydrophobicContact CG2-CB 4.45Å; V105-L139 HydrophobicContact CG1-CB 3.57Å; V105-L139 HydrophobicContact CG1-CD1 3.05Å; V105-L139 HydrophobicContact CG1-CG 3.78Å; V105-L139 HydrophobicContact CG2-CB 4.32Å
106	L	63.5	Low	60.8	Low	145 Å²	145	67.5 Å²	67.5	76%	0.759	39%	0.391	S	S	*	.	H	α-helix	trans	-67.1	-31.7	178.9	-75.8	168.9	0	0	0	112.7	T102 T103 G108	T102-L106 WeakPolarHBondContact O-CB 3.45Å; T102-L106 VanDerWaalsContact O-CG 3.24Å; T102-L106 WeakPolarHBondContact O-CG 3.36Å; T102-L106 PolarHBondContact O-N 2.8Å; T103-L106 PolarHBondContact O-N 3.45Å; L106-G108 VanDerWaalsContact C-N 3.28Å
107	Q	65.7	Low	59.2	Low	132 Å²	132	70.6 Å²	70.6	62%	0.617	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.5	177	-68.6	178	-4.5	0	0	112.7	T103 V105 T109	T103-Q107 WeakPolarHBondContact O-CB 3.21Å; T103-Q107 VanDerWaalsContact O-CG 3.26Å; T103-Q107 WeakPolarHBondContact O-CG 3.4Å; T103-Q107 PolarHBondContact O-N 3.24Å; V105-Q107 VanDerWaalsContact C-N 3.31Å; V105-Q107 PolarHBondContact O-N 2.95Å; Q107-T109 HydrophobicContact CB-CG2 4Å; Q107-T109 PolarHBondContact O-N 3.35Å
108	G	57.9	Low	57.5	Low	62 Å²	62	77.8 Å²	77.8	64%	0.639	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	18	-175.8	0	0	0	0	0	113.4	E104 V105 L106	E104-G108 PolarHBondContact O-N 3.5Å; E104-G108 VanDerWaalsContact O-N 3.14Å; V105-G108 PolarHBondContact O-N 3.18Å; L106-G108 VanDerWaalsContact C-N 3.28Å
109	T	54.3	Low	55.7	Low	68 Å²	68	81 Å²	81	42%	0.417	45%	0.452	S	S	.	.			trans	-92.3	109.2	-175.9	54.6	0	0	0	0	109.8	E104 Q107 K111	E104-T109 PolarHBondContact O-N 2.69Å; E104-T109 PolarHBondContact O-OG1 2.69Å; Q107-T109 HydrophobicContact CB-CG2 4Å; Q107-T109 PolarHBondContact O-N 3.35Å; T109-K111 PolarHBondContact O-N 2.91Å
110	V	52	Low	54.1	Low	71 Å²	71	82.1 Å²	82.1	43%	0.43	47%	0.469	S	S	.	.			trans	-85.4	106.9	172.2	-171.8	0	0	0	0	108	P112 S135	V110-P112 WeakPolarHBondContact O-CD 3.38Å; V110-S135 VanDerWaalsContact CG2-CB 3.49Å; V110-S135 WeakPolarHBondContact CG2-OG 3.35Å
111	K	52.9	Low	52.3	Low	136 Å²	136	84.4 Å²	84.4	59%	0.591	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-69.7	123.2	166.1	-79.6	-177.4	-172.8	146.3	0	108.3	E104 T109 L113	E104-K111 WeakPolarHBondContact OE1-CD 3.45Å; E104-K111 WeakPolarHBondContact OE1-CE 3.19Å; E104-K111 IonicContact OE1-NZ 2.79Å; E104-K111 PolarHBondContact OE1-NZ 2.9Å; T109-K111 PolarHBondContact O-N 2.91Å; K111-L113 PolarHBondContact O-N 3.46Å
112	P	45.8	Very low	50.8	Low	100 Å²	100	91.7 Å²	91.7	65%	0.649	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-60.4	139.5	173.4	25.5	-32.2	0	0	0	108.8	V110	V110-P112 WeakPolarHBondContact O-CD 3.38Å
113	L	48.5	Very low	49.1	Very low	71 Å²	71	97.9 Å²	97.9	37%	0.372	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-51.9	127.6	175.7	-165.1	73.7	0	0	0	109	K111 N115 F117 L383	K111-L113 PolarHBondContact O-N 3.46Å; L113-N115 PolarHBondContact O-N 3.11Å; L113-F117 HydrophobicContact CD2-CB 3.96Å; L113-F117 HydrophobicContact CG-CB 4.45Å; L113-L383 HydrophobicContact CD1-CD1 3.74Å
114	P	46.8	Very low	47.4	Very low	40 Å²	40	102 Å²	102	26%	0.26	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-58.5	135.9	-176.8	20	-29.7	0	0	0	110.2	S116 F117 L395	P114-S116 PolarHBondContact O-N 3.29Å; P114-F117 PolarHBondContact O-N 2.91Å; P114-F117 VanDerWaalsContact O-N 3.12Å; P114-L395 HydrophobicContact CG-CD1 4.3Å
115	N	40.2	Very low	46.1	Very low	128 Å²	128	105.9 Å²	105.9	68%	0.684	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-56.5	-11.4	-175.9	-74.2	-35.8	0	0	0	114.3	L113 F117 K118	L113-N115 PolarHBondContact O-N 3.11Å; N115-F117 PolarHBondContact O-N 3.23Å; N115-K118 PolarHBondContact O-N 2.9Å; N115-K118 VanDerWaalsContact O-N 3.16Å
116	S	42.1	Very low	44.9	Very low	100 Å²	100	111.9 Å²	111.9	70%	0.699	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-65.8	-13.6	174.3	57	0	0	0	0	114.1	P114	P114-S116 PolarHBondContact O-N 3.29Å
117	F	42.4	Very low	43.8	Very low	95 Å²	95	108 Å²	108	42%	0.417	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-92	-1.7	172.5	-93.6	-89.3	0	0	0	114.9	L113 P114 N115 S119 L383 L395	L113-F117 HydrophobicContact CD2-CB 3.96Å; L113-F117 HydrophobicContact CG-CB 4.45Å; P114-F117 PolarHBondContact O-N 2.91Å; P114-F117 VanDerWaalsContact O-N 3.12Å; N115-F117 PolarHBondContact O-N 3.23Å; F117-S119 VanDerWaalsContact C-N 3.26Å; F117-S119 PolarHBondContact O-N 3.3Å; F117-L383 HydrophobicContact CD2-CD1 4.42Å; F117-L383 HydrophobicContact CE1-CD1 4.42Å; F117-L383 HydrophobicContact CE2-CD1 4.14Å; F117-L383 HydrophobicContact CZ-CD1 4.13Å; F117-L395 HydrophobicContact CD2-CD1 4.47Å; F117-L395 HydrophobicContact CE2-CD1 3.84Å; F117-L395 HydrophobicContact CE2-CD2 3.38Å; F117-L395 HydrophobicContact CE2-CG 4.24Å; F117-L395 HydrophobicContact CZ-CD2 3.63Å
118	K	36.8	Very low	42.4	Very low	152 Å²	152	109.5 Å²	109.5	66%	0.661	62%	0.618	S	S	*	*			trans	-72.3	88	168.6	-82	179.3	175.6	173	0	108.3	N115 S120	N115-K118 PolarHBondContact O-N 2.9Å; N115-K118 VanDerWaalsContact O-N 3.16Å; K118-S120 PolarHBondContact O-N 3.4Å
119	S	36.5	Very low	41.4	Very low	77 Å²	77	110.6 Å²	110.6	54%	0.538	61%	0.612	S	S	.	*			trans	-55.3	131.7	160	66.8	0	0	0	0	107.2	F117 S121	F117-S119 VanDerWaalsContact C-N 3.26Å; F117-S119 PolarHBondContact O-N 3.3Å; S119-S121 PolarHBondContact O-N 3.5Å
120	S	40.1	Very low	41	Very low	132 Å²	132	110.2 Å²	110.2	92%	0.923	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	18	-174.5	47.5	0	0	0	0	114.3	K118	K118-S120 PolarHBondContact O-N 3.4Å
121	S	37.3	Very low	40.6	Very low	97 Å²	97	109 Å²	109	68%	0.678	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	3.8	-172.2	58	0	0	0	0	116.1	S119	S119-S121 PolarHBondContact O-N 3.5Å
122	Q	34.1	Very low	40.2	Very low	161 Å²	161	110.1 Å²	110.1	75%	0.752	61%	0.606	S	S	*	*			trans	-135.6	83.9	172.3	-76.1	-173.9	-26.2	0	0	112.4	H124	Q122-H124 VanDerWaalsContact C-N 3.27Å; Q122-H124 PolarHBondContact O-N 3.43Å; Q122-H124 VanDerWaalsContact O-N 3.16Å
123	I	33.2	Very low	40.3	Very low	167 Å²	167	109.5 Å²	109.5	86%	0.856	59%	0.594	S	S	*	*			trans	-78.1	81.3	160.3	-57.2	169.2	0	0	0	106.5
124	H	36.6	Very low	40.3	Very low	148 Å²	148	109.2 Å²	109.2	69%	0.685	59%	0.592	S	S	*	*			trans	-136.9	131.2	162.6	-84.7	-61.2	0	0	0	109.8	Q122 E126	Q122-H124 VanDerWaalsContact C-N 3.27Å; Q122-H124 PolarHBondContact O-N 3.43Å; Q122-H124 VanDerWaalsContact O-N 3.16Å; H124-E126 PolarHBondContact O-N 2.99Å
125	S	37.7	Very low	40.1	Very low	117 Å²	117	108.9 Å²	108.9	82%	0.818	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	22.5	-176.6	45.6	0	0	0	0	115.7
126	E	38.4	Very low	40.5	Very low	151 Å²	151	106 Å²	106	71%	0.706	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-10.7	178.7	-70.7	-174.4	153.7	0	0	113.1	H124 E128	H124-E126 PolarHBondContact O-N 2.99Å; E126-E128 VanDerWaalsContact C-N 3.32Å; E126-E128 PolarHBondContact O-N 3.39Å
127	S	41	Very low	41	Very low	63 Å²	63	102.2 Å²	102.2	44%	0.441	55%	0.55	S	S	.	*	H	α-helix	trans	-76.7	-10.9	-174.3	83.7	0	0	0	0	115.3	T130 N131	S127-T130 PolarHBondContact O-OG1 3.02Å; S127-T130 VanDerWaalsContact O-OG1 3.11Å; S127-N131 PolarHBondContact O-ND2 3.14Å
128	E	36	Very low	41.5	Very low	164 Å²	164	100.1 Å²	100.1	77%	0.766	54%	0.539	S	S	*	.	H	α-helix	trans	-82	-31	177.3	-113.1	179.9	173.7	0	0	112.1	E126	E126-E128 VanDerWaalsContact C-N 3.32Å; E126-E128 PolarHBondContact O-N 3.39Å
129	V	37.6	Very low	42.4	Very low	85 Å²	85	96.2 Å²	96.2	52%	0.515	53%	0.525	S	S	.	.	H	α-helix	trans	-72.3	-40.2	177.6	-178.6	0	0	0	0	110.2	N131 K132 E133	V129-N131 PolarHBondContact O-N 2.7Å; V129-K132 PolarHBondContact O-N 3.17Å; V129-E133 HydrophobicContact CG1-CG 4.39Å; V129-E133 WeakPolarHBondContact CG1-OE1 3.43Å; V129-E133 VanDerWaalsContact O-CG 3.31Å; V129-E133 WeakPolarHBondContact O-CG 3.4Å; V129-E133 PolarHBondContact O-N 3.34Å; V129-E133 VanDerWaalsContact O-N 3.17Å
130	T	45.9	Very low	43.8	Very low	59 Å²	59	95.7 Å²	95.7	36%	0.362	51%	0.514	S	S	.	.	H	α-helix	trans	-65.2	-35.1	-179.9	57.5	0	0	0	0	113.2	S127 E133 I134	S127-T130 PolarHBondContact O-OG1 3.02Å; S127-T130 VanDerWaalsContact O-OG1 3.11Å; T130-E133 PolarHBondContact O-N 3.04Å; T130-I134 WeakPolarHBondContact O-CB 3.42Å; T130-I134 VanDerWaalsContact O-CD1 3.24Å; T130-I134 WeakPolarHBondContact O-CD1 3.5Å; T130-I134 WeakPolarHBondContact O-CG1 3.39Å; T130-I134 PolarHBondContact O-N 2.72Å
131	N	42.6	Very low	45.3	Very low	45 Å²	45	89.6 Å²	89.6	24%	0.241	47%	0.471	C	S	.	.	H	α-helix	trans	-69.4	-35.7	-178.7	-78	-30	0	0	0	113.4	S127 V129	S127-N131 PolarHBondContact O-ND2 3.14Å; V129-N131 PolarHBondContact O-N 2.7Å
132	K	44.5	Very low	46.9	Very low	160 Å²	160	86.2 Å²	86.2	70%	0.696	45%	0.445	S	S	*	.	H	α-helix	trans	-72.1	-42.9	172.8	-94.3	-179.5	176.2	174.4	0	111.4	V129 I134 S135 T136	V129-K132 PolarHBondContact O-N 3.17Å; K132-I134 PolarHBondContact O-N 3.46Å; K132-S135 PolarHBondContact O-N 3.4Å; K132-S135 PolarHBondContact O-OG 2.97Å; K132-T136 PolarHBondContact O-N 3.3Å
133	E	47.9	Very low	49.2	Very low	87 Å²	87	80.7 Å²	80.7	41%	0.407	42%	0.424	S	S	.	.	H	α-helix	trans	-61.5	-41.1	179.5	-73.3	175.7	169.4	0	0	112.4	V129 T130 S135 T136 I137	V129-E133 HydrophobicContact CG1-CG 4.39Å; V129-E133 WeakPolarHBondContact CG1-OE1 3.43Å; V129-E133 VanDerWaalsContact O-CG 3.31Å; V129-E133 WeakPolarHBondContact O-CG 3.4Å; V129-E133 PolarHBondContact O-N 3.34Å; V129-E133 VanDerWaalsContact O-N 3.17Å; T130-E133 PolarHBondContact O-N 3.04Å; E133-S135 VanDerWaalsContact C-N 3.27Å; E133-S135 PolarHBondContact O-N 3.48Å; E133-T136 PolarHBondContact O-N 3.37Å; E133-T136 PolarHBondContact O-OG1 2.83Å; E133-I137 WeakPolarHBondContact O-CD1 3.31Å; E133-I137 WeakPolarHBondContact O-CG1 3.26Å; E133-I137 PolarHBondContact O-N 2.95Å
134	I	48.6	Very low	51.7	Low	65 Å²	65	73.5 Å²	73.5	33%	0.333	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-33	179.3	-69.7	163	0	0	0	111.9	T130 K132 R138	T130-I134 WeakPolarHBondContact O-CB 3.42Å; T130-I134 VanDerWaalsContact O-CD1 3.24Å; T130-I134 WeakPolarHBondContact O-CD1 3.5Å; T130-I134 WeakPolarHBondContact O-CG1 3.39Å; T130-I134 PolarHBondContact O-N 2.72Å; K132-I134 PolarHBondContact O-N 3.46Å; I134-R138 WeakPolarHBondContact O-CD 3.48Å; I134-R138 VanDerWaalsContact O-CG 3.27Å; I134-R138 WeakPolarHBondContact O-CG 3.49Å; I134-R138 PolarHBondContact O-N 3.29Å
135	S	42.9	Very low	54.1	Low	34 Å²	34	66.4 Å²	66.4	24%	0.238	35%	0.353	C	S	.	.	H	α-helix	trans	-71.4	-39.7	-179.4	72	0	0	0	0	113.3	V110 K132 E133 R138 L139	V110-S135 VanDerWaalsContact CG2-CB 3.49Å; V110-S135 WeakPolarHBondContact CG2-OG 3.35Å; K132-S135 PolarHBondContact O-N 3.4Å; K132-S135 PolarHBondContact O-OG 2.97Å; E133-S135 VanDerWaalsContact C-N 3.27Å; E133-S135 PolarHBondContact O-N 3.48Å; S135-R138 PolarHBondContact O-N 3.31Å; S135-L139 PolarHBondContact O-N 2.82Å
136	T	48.8	Very low	56.5	Low	66 Å²	66	66.5 Å²	66.5	41%	0.405	34%	0.339	S	S	.	.	H	α-helix	trans	-72.2	-33.5	178.1	50	0	0	0	0	111.9	K132 E133 R138 Q140	K132-T136 PolarHBondContact O-N 3.3Å; E133-T136 PolarHBondContact O-N 3.37Å; E133-T136 PolarHBondContact O-OG1 2.83Å; T136-R138 VanDerWaalsContact C-N 3.29Å; T136-R138 PolarHBondContact O-N 3.28Å; T136-Q140 VanDerWaalsContact O-CG 3.22Å; T136-Q140 WeakPolarHBondContact O-CG 2.91Å; T136-Q140 PolarHBondContact O-N 3.47Å
137	I	52	Low	59	Low	22 Å²	22	63.2 Å²	63.2	11%	0.113	33%	0.329	C	S	.	.	H	α-helix	trans	-66	-33.1	177.5	-66.2	162.8	0	0	0	111.3	E133 Y373 F378 A379	E133-I137 WeakPolarHBondContact O-CD1 3.31Å; E133-I137 WeakPolarHBondContact O-CG1 3.26Å; E133-I137 PolarHBondContact O-N 2.95Å; I137-Y373 HydrophobicContact CD1-CD1 3.89Å; I137-Y373 HydrophobicContact CD1-CE1 3.57Å; I137-Y373 HydrophobicContact CG1-CD1 4.04Å; I137-Y373 HydrophobicContact CG1-CE1 3.36Å; I137-F378 HydrophobicContact CG2-CD1 4.35Å; I137-F378 WeakPolarHBondContact O-CD1 3.47Å; I137-A379 HydrophobicContact CG2-CB 4.16Å
138	R	53.8	Low	61.3	Low	50 Å²	50	60.3 Å²	60.3	19%	0.189	31%	0.308	C	S	.	.	H	α-helix	trans	-76.9	-42	-177.7	-72.5	168.5	-173.8	-170.8	10.3	113.3	L101 V105 I134 S135 T136 Q140 H141 F382	L101-R138 HydrophobicContact CD1-CB 4.06Å; L101-R138 HydrophobicContact CD1-CG 4.18Å; V105-R138 HydrophobicContact CG2-CB 4.45Å; I134-R138 WeakPolarHBondContact O-CD 3.48Å; I134-R138 VanDerWaalsContact O-CG 3.27Å; I134-R138 WeakPolarHBondContact O-CG 3.49Å; I134-R138 PolarHBondContact O-N 3.29Å; S135-R138 PolarHBondContact O-N 3.31Å; T136-R138 VanDerWaalsContact C-N 3.29Å; T136-R138 PolarHBondContact O-N 3.28Å; R138-Q140 PolarHBondContact O-N 3.08Å; R138-H141 PolarHBondContact O-N 3.27Å; R138-F382 VanDerWaalsContact NH2-CB 3.34Å
139	L	54.5	Low	64	Low	71 Å²	71	54.7 Å²	54.7	37%	0.372	28%	0.283	S	S	.	.	H	α-helix	trans	-56.2	-37.2	173.8	171.5	57.9	0	0	0	112.1	V105 S135 H141 C143	V105-L139 HydrophobicContact CG1-CB 3.57Å; V105-L139 HydrophobicContact CG1-CD1 3.05Å; V105-L139 HydrophobicContact CG1-CG 3.78Å; V105-L139 HydrophobicContact CG2-CB 4.32Å; S135-L139 PolarHBondContact O-N 2.82Å; L139-H141 VanDerWaalsContact C-N 3.33Å; L139-H141 PolarHBondContact O-N 3.36Å; L139-C143 WeakPolarHBondContact O-CB 3.42Å; L139-C143 PolarHBondContact O-N 3.26Å
140	Q	66.2	Low	66.7	Low	66 Å²	66	56.1 Å²	56.1	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-71.5	-24.6	-171.7	-75	172.5	-2	0	0	112.6	T136 R138 Y144 F378	T136-Q140 VanDerWaalsContact O-CG 3.22Å; T136-Q140 WeakPolarHBondContact O-CG 2.91Å; T136-Q140 PolarHBondContact O-N 3.47Å; R138-Q140 PolarHBondContact O-N 3.08Å; Q140-Y144 VanDerWaalsContact O-CB 3.22Å; Q140-Y144 WeakPolarHBondContact O-CB 3.34Å; Q140-Y144 PolarHBondContact O-N 3.23Å; Q140-F378 HydrophobicContact CB-CD1 4.36Å; Q140-F378 HydrophobicContact CB-CE1 3.24Å; Q140-F378 HydrophobicContact CB-CZ 3.72Å
141	H	71.7	Confident	68.9	Low	3 Å²	3	54.7 Å²	54.7	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-78.1	-44.9	-174.9	-178	-80.9	0	0	0	113.1	H66 R138 L139 F378 L400 T402	H66-H141 AromaticContact NE2-CE1 3.59Å; R138-H141 PolarHBondContact O-N 3.27Å; L139-H141 VanDerWaalsContact C-N 3.33Å; L139-H141 PolarHBondContact O-N 3.36Å; H141-F378 HydrophobicContact CB-CD1 4.08Å; H141-F378 HydrophobicContact CB-CE1 4.07Å; H141-L400 HydrophobicContact CB-CD2 3.97Å; H141-L400 VanDerWaalsContact CG-CD2 3.5Å; H141-L400 VanDerWaalsContact ND1-CD2 3.3Å; H141-L400 WeakPolarHBondContact ND1-CD2 3.28Å; H141-T402 PolarHBondContact CE1-OG1 3.05Å; H141-T402 PolarHBondContact NE2-OG1 2.63Å; H141-T402 VanDerWaalsContact NE2-OG1 3.17Å
142	E	71.9	Confident	71.3	Confident	26 Å²	26	52.6 Å²	52.6	12%	0.121	26%	0.264	C	S	.	.	H	α-helix	trans	-72.4	-35.7	177.8	-68.9	-179.4	161.3	0	0	111.9	V71 T102 P145	V71-E142 HydrophobicContact CG1-CG 4.05Å; T102-E142 WeakPolarHBondContact CA-OE2 2.99Å; T102-E142 VanDerWaalsContact CG2-CD 3.41Å; T102-E142 VanDerWaalsContact CG2-OE1 3.31Å; T102-E142 WeakPolarHBondContact CG2-OE1 3.49Å; T102-E142 WeakPolarHBondContact CG2-OE2 3.08Å; E142-P145 WeakPolarHBondContact O-CD 3.39Å
143	C	80.8	Confident	73.6	Confident	46 Å²	46	49.4 Å²	49.4	31%	0.311	25%	0.253	S	S	.	.	H	α-helix	trans	-81.6	-15.5	178.9	-64.7	0	0	0	0	113.6	L139 F146 V147	L139-C143 WeakPolarHBondContact O-CB 3.42Å; L139-C143 PolarHBondContact O-N 3.26Å; C143-F146 WeakPolarHBondContact O-CA 3.21Å; C143-F146 WeakPolarHBondContact O-CB 3.24Å; C143-F146 PolarHBondContact O-N 3.49Å; C143-V147 WeakPolarHBondContact O-CG2 3.48Å; C143-V147 PolarHBondContact O-N 2.91Å
144	Y	85.8	Confident	75.8	Confident	15 Å²	15	46.6 Å²	46.6	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-50.5	-49.3	-176.9	-177	-109.8	0	0	0	115.2	L62 Q140 F146 V147 L148 V406 S409 I410	L62-Y144 HydrophobicContact CD1-CD1 3.75Å; L62-Y144 HydrophobicContact CD1-CE1 3.68Å; Q140-Y144 VanDerWaalsContact O-CB 3.22Å; Q140-Y144 WeakPolarHBondContact O-CB 3.34Å; Q140-Y144 PolarHBondContact O-N 3.23Å; Y144-F146 PolarHBondContact O-N 3.31Å; Y144-V147 WeakPolarHBondContact O-CB 3.16Å; Y144-V147 PolarHBondContact O-N 3.17Å; Y144-V147 VanDerWaalsContact O-N 3.11Å; Y144-L148 HydrophobicContact CD1-CD1 4.01Å; Y144-L148 HydrophobicContact CD1-CG 4.36Å; Y144-L148 HydrophobicContact CE1-CD1 3.39Å; Y144-L148 HydrophobicContact CE1-CD2 4.44Å; Y144-L148 HydrophobicContact CE1-CG 3.86Å; Y144-L148 HydrophobicContact CE2-CD2 4.32Å; Y144-L148 HydrophobicContact CE2-CG 4.16Å; Y144-L148 PolarHBondContact O-N 2.85Å; Y144-V406 HydrophobicContact CD1-CG1 3.7Å; Y144-V406 HydrophobicContact CE1-CG1 4.14Å; Y144-V406 HydrophobicContact CG-CG1 3.92Å; Y144-S409 VanDerWaalsContact CE1-OG 3.3Å; Y144-S409 WeakPolarHBondContact CE1-OG 3.27Å; Y144-S409 WeakPolarHBondContact OH-CB 3.2Å; Y144-S409 PolarHBondContact OH-O 2.94Å; Y144-S409 PolarHBondContact OH-OG 3.32Å; Y144-I410 HydrophobicContact CD2-CG1 4.32Å; Y144-I410 HydrophobicContact CE2-CD1 4.08Å; Y144-I410 HydrophobicContact CE2-CG1 3.46Å; Y144-I410 VanDerWaalsContact CE2-CG1 3.46Å; Y144-I410 PolarHBondContact OH-N 3.3Å
145	P	87.7	Confident	77.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-34.2	177.7	21.3	-32.8	0	0	0	112.9	A59 L62 L63 E142 L148 I149	A59-P145 HydrophobicContact CB-CB 4.43Å; A59-P145 WeakPolarHBondContact CB-O 3.32Å; L62-P145 HydrophobicContact CB-CB 4.33Å; L63-P145 HydrophobicContact CD1-CB 4.39Å; L63-P145 HydrophobicContact CD2-CB 3.88Å; L63-P145 HydrophobicContact CD2-CG 3.72Å; L63-P145 HydrophobicContact CG-CB 3.73Å; L63-P145 HydrophobicContact CG-CG 4.13Å; E142-P145 WeakPolarHBondContact O-CD 3.39Å; P145-L148 PolarHBondContact O-N 2.8Å; P145-I149 WeakPolarHBondContact O-CG1 3.49Å; P145-I149 PolarHBondContact O-N 2.97Å; P145-I149 VanDerWaalsContact O-N 3.15Å
146	F	88.7	Confident	80.2	Confident	118 Å²	118	47.2 Å²	47.2	52%	0.518	24%	0.238	S	C	.	.	H	α-helix	trans	-70.8	-39.2	175.3	-60	-80.5	0	0	0	111.7	L63 C143 Y144 L148 I149 I150	L63-F146 HydrophobicContact CD2-CE2 4.17Å; L63-F146 HydrophobicContact CD2-CZ 4.03Å; C143-F146 WeakPolarHBondContact O-CA 3.21Å; C143-F146 WeakPolarHBondContact O-CB 3.24Å; C143-F146 PolarHBondContact O-N 3.49Å; Y144-F146 PolarHBondContact O-N 3.31Å; F146-L148 VanDerWaalsContact C-N 3.3Å; F146-L148 PolarHBondContact O-N 3.17Å; F146-I149 PolarHBondContact O-N 2.71Å; F146-I150 WeakPolarHBondContact O-CG1 3.43Å; F146-I150 PolarHBondContact O-N 3.4Å
147	V	89.1	Confident	82.3	Confident	82 Å²	82	47.8 Å²	47.8	50%	0.497	24%	0.238	S	C	.	.	H	α-helix	trans	-60.9	-40.7	173.5	176.1	0	0	0	0	110.8	C143 Y144 I149 I150 Y151	C143-V147 WeakPolarHBondContact O-CG2 3.48Å; C143-V147 PolarHBondContact O-N 2.91Å; Y144-V147 WeakPolarHBondContact O-CB 3.16Å; Y144-V147 PolarHBondContact O-N 3.17Å; Y144-V147 VanDerWaalsContact O-N 3.11Å; V147-I149 VanDerWaalsContact C-N 3.34Å; V147-I149 PolarHBondContact O-N 2.95Å; V147-I150 PolarHBondContact O-N 3.17Å; V147-Y151 VanDerWaalsContact O-CB 3.3Å; V147-Y151 WeakPolarHBondContact O-CB 3.47Å; V147-Y151 PolarHBondContact O-N 3.29Å
148	L	91	Very high	84.2	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-40.4	174	-78.2	178.8	0	0	0	112.7	Q58 A59 L62 Y144 P145 F146 Y151 A152 L413	Q58-L148 HydrophobicContact CB-CD1 4.34Å; A59-L148 HydrophobicContact CB-CB 3.97Å; A59-L148 HydrophobicContact CB-CD1 4.36Å; L62-L148 HydrophobicContact CD1-CD1 4.01Å; Y144-L148 HydrophobicContact CD1-CD1 4.01Å; Y144-L148 HydrophobicContact CD1-CG 4.36Å; Y144-L148 HydrophobicContact CE1-CD1 3.39Å; Y144-L148 HydrophobicContact CE1-CD2 4.44Å; Y144-L148 HydrophobicContact CE1-CG 3.86Å; Y144-L148 HydrophobicContact CE2-CD2 4.32Å; Y144-L148 HydrophobicContact CE2-CG 4.16Å; Y144-L148 PolarHBondContact O-N 2.85Å; P145-L148 PolarHBondContact O-N 2.8Å; F146-L148 VanDerWaalsContact C-N 3.3Å; F146-L148 PolarHBondContact O-N 3.17Å; L148-Y151 PolarHBondContact O-N 3.35Å; L148-A152 WeakPolarHBondContact O-CB 3.27Å; L148-A152 PolarHBondContact O-N 3.35Å; L148-L413 HydrophobicContact CD2-CD1 4.37Å; L148-L413 HydrophobicContact CD2-CD2 3.95Å
149	I	92.4	Very high	85.9	Confident	47 Å²	47	45.6 Å²	45.6	24%	0.241	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-45.8	176.4	-67.3	165.7	0	0	0	110.4	A59 L63 P145 F146 V147 Y151 A152 I153	A59-I149 HydrophobicContact CB-CD1 4.12Å; A59-I149 HydrophobicContact CB-CG1 3.64Å; L63-I149 HydrophobicContact CD1-CD1 4.28Å; P145-I149 WeakPolarHBondContact O-CG1 3.49Å; P145-I149 PolarHBondContact O-N 2.97Å; P145-I149 VanDerWaalsContact O-N 3.15Å; F146-I149 PolarHBondContact O-N 2.71Å; V147-I149 VanDerWaalsContact C-N 3.34Å; V147-I149 PolarHBondContact O-N 2.95Å; I149-Y151 VanDerWaalsContact C-N 3.31Å; I149-Y151 PolarHBondContact O-N 3.33Å; I149-A152 PolarHBondContact O-N 3.27Å; I149-I153 HydrophobicContact CG2-CD1 3.88Å; I149-I153 HydrophobicContact CG2-CG1 4.47Å; I149-I153 VanDerWaalsContact O-CG1 3.29Å; I149-I153 WeakPolarHBondContact O-CG1 3.33Å; I149-I153 PolarHBondContact O-N 3.43Å
150	I	92.9	Very high	87.6	Confident	114 Å²	114	46.4 Å²	46.4	59%	0.585	23%	0.229	S	C	*	.	H	α-helix	trans	-60.4	-44.1	177.2	-67.2	166.3	0	0	0	110.3	F146 V147 I153 A154	F146-I150 WeakPolarHBondContact O-CG1 3.43Å; F146-I150 PolarHBondContact O-N 3.4Å; V147-I150 PolarHBondContact O-N 3.17Å; I150-I153 PolarHBondContact O-N 3.26Å; I150-A154 PolarHBondContact O-N 3.07Å
151	Y	92.3	Very high	88.7	Confident	29 Å²	29	48 Å²	48	11%	0.114	24%	0.239	C	C	.	.	H	α-helix	trans	-58.3	-47.8	174.1	167.4	-90.9	0	0	0	111.6	P55 V147 L148 I149 I153 A154 M155 T362 L413 N417	P55-Y151 HydrophobicContact CB-CD1 4.35Å; P55-Y151 HydrophobicContact CB-CE1 4.49Å; P55-Y151 HydrophobicContact CG-CE1 4.16Å; V147-Y151 VanDerWaalsContact O-CB 3.3Å; V147-Y151 WeakPolarHBondContact O-CB 3.47Å; V147-Y151 PolarHBondContact O-N 3.29Å; L148-Y151 PolarHBondContact O-N 3.35Å; I149-Y151 VanDerWaalsContact C-N 3.31Å; I149-Y151 PolarHBondContact O-N 3.33Å; Y151-I153 VanDerWaalsContact C-N 3.31Å; Y151-I153 PolarHBondContact O-N 2.56Å; Y151-A154 WeakPolarHBondContact O-CB 3.48Å; Y151-A154 PolarHBondContact O-N 3.16Å; Y151-A154 VanDerWaalsContact O-N 3.16Å; Y151-M155 HydrophobicContact CD1-CG 4.36Å; Y151-M155 HydrophobicContact CD2-CG 4.37Å; Y151-M155 HydrophobicContact CE1-CG 3.77Å; Y151-M155 HydrophobicContact CE2-CG 3.81Å; Y151-M155 HydrophobicContact CE2-SD 4.31Å; Y151-M155 VanDerWaalsContact CZ-CG 3.47Å; Y151-M155 WeakPolarHBondContact O-CG 3.46Å; Y151-M155 PolarHBondContact O-N 2.91Å; Y151-T362 HydrophobicContact CE2-CG2 3.89Å; Y151-T362 WeakPolarHBondContact CE2-OG1 3.19Å; Y151-L413 HydrophobicContact CD1-CD1 4.04Å; Y151-L413 HydrophobicContact CE1-CD1 3.58Å; Y151-N417 PolarHBondContact OH-ND2 2.89Å; Y151-N417 PolarHBondContact OH-OD1 3.47Å
152	A	93	Very high	89.4	Confident	2 Å²	2	48.8 Å²	48.8	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-37.6	179.4	0	0	0	0	0	112.2	V52 P55 V56 L148 I149 M155 W156	V52-A152 HydrophobicContact CG1-CB 4.32Å; P55-A152 HydrophobicContact CB-CB 4.42Å; V56-A152 HydrophobicContact CG2-CB 3.52Å; L148-A152 WeakPolarHBondContact O-CB 3.27Å; L148-A152 PolarHBondContact O-N 3.35Å; I149-A152 PolarHBondContact O-N 3.27Å; A152-M155 PolarHBondContact O-N 3.35Å; A152-W156 VanDerWaalsContact O-CB 3.29Å; A152-W156 WeakPolarHBondContact O-CB 3.5Å; A152-W156 PolarHBondContact O-N 2.93Å
153	I	94	Very high	90.1	Very high	92 Å²	92	50.4 Å²	50.4	47%	0.472	25%	0.25	S	C	.	.	H	α-helix	trans	-63.2	-46.5	173.2	-67.7	165.4	0	0	0	110.1	I149 I150 Y151 M155 W156 I157	I149-I153 HydrophobicContact CG2-CD1 3.88Å; I149-I153 HydrophobicContact CG2-CG1 4.47Å; I149-I153 VanDerWaalsContact O-CG1 3.29Å; I149-I153 WeakPolarHBondContact O-CG1 3.33Å; I149-I153 PolarHBondContact O-N 3.43Å; I150-I153 PolarHBondContact O-N 3.26Å; Y151-I153 VanDerWaalsContact C-N 3.31Å; Y151-I153 PolarHBondContact O-N 2.56Å; I153-M155 VanDerWaalsContact C-N 3.31Å; I153-M155 PolarHBondContact O-N 3.34Å; I153-W156 WeakPolarHBondContact O-CB 3.33Å; I153-W156 PolarHBondContact O-N 2.85Å; I153-W156 VanDerWaalsContact O-N 3.09Å; I153-I157 WeakPolarHBondContact O-CG1 3.43Å; I153-I157 PolarHBondContact O-N 3.24Å; I153-I157 VanDerWaalsContact O-N 3.09Å
154	A	92.8	Very high	90.4	Very high	28 Å²	28	56.6 Å²	56.6	23%	0.231	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-43.5	177.3	0	0	0	0	0	111.8	I150 Y151 W156 I157 P158 F358	I150-A154 PolarHBondContact O-N 3.07Å; Y151-A154 WeakPolarHBondContact O-CB 3.48Å; Y151-A154 PolarHBondContact O-N 3.16Å; Y151-A154 VanDerWaalsContact O-N 3.16Å; A154-W156 VanDerWaalsContact C-N 3.31Å; A154-W156 PolarHBondContact O-N 3.43Å; A154-I157 PolarHBondContact O-N 2.94Å; A154-P158 WeakPolarHBondContact O-CD 3.4Å; A154-F358 HydrophobicContact CB-CE1 4.42Å
155	M	91.9	Very high	90.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.2	-28.5	175.4	-70.9	-59.1	-72.4	0	0	113.2	T51 V52 Y151 A152 I153 P158 H159 L355 F358 H359	T51-M155 HydrophobicContact CG2-CE 4.06Å; V52-M155 HydrophobicContact CG2-CB 4.01Å; Y151-M155 HydrophobicContact CD1-CG 4.36Å; Y151-M155 HydrophobicContact CD2-CG 4.37Å; Y151-M155 HydrophobicContact CE1-CG 3.77Å; Y151-M155 HydrophobicContact CE2-CG 3.81Å; Y151-M155 HydrophobicContact CE2-SD 4.31Å; Y151-M155 VanDerWaalsContact CZ-CG 3.47Å; Y151-M155 WeakPolarHBondContact O-CG 3.46Å; Y151-M155 PolarHBondContact O-N 2.91Å; A152-M155 PolarHBondContact O-N 3.35Å; I153-M155 VanDerWaalsContact C-N 3.31Å; I153-M155 PolarHBondContact O-N 3.34Å; M155-P158 WeakPolarHBondContact O-CD 3.42Å; M155-H159 PolarHBondContact O-CD2 2.91Å; M155-L355 HydrophobicContact CE-CD2 3.76Å; M155-L355 HydrophobicContact SD-CD2 4.47Å; M155-F358 HydrophobicContact SD-CB 3.59Å; M155-F358 VanDerWaalsContact SD-CB 3.59Å; M155-F358 HydrophobicContact SD-CD1 4.44Å; M155-F358 HydrophobicContact SD-CG 4.06Å; M155-H359 WeakPolarHBondContact CE-CE1 3.46Å
156	W	93.6	Very high	89.9	Confident	112 Å²	112	58.2 Å²	58.2	42%	0.424	28%	0.28	S	S	.	.	H	α-helix	trans	-75.1	-31.4	177.6	179.4	72.2	0	0	0	113.2	V52 A152 I153 A154 H159 Y160	V52-W156 HydrophobicContact CG1-CB 4.1Å; V52-W156 HydrophobicContact CG2-CB 4.06Å; A152-W156 VanDerWaalsContact O-CB 3.29Å; A152-W156 WeakPolarHBondContact O-CB 3.5Å; A152-W156 PolarHBondContact O-N 2.93Å; I153-W156 WeakPolarHBondContact O-CB 3.33Å; I153-W156 PolarHBondContact O-N 2.85Å; I153-W156 VanDerWaalsContact O-N 3.09Å; A154-W156 VanDerWaalsContact C-N 3.31Å; A154-W156 PolarHBondContact O-N 3.43Å; W156-H159 WeakPolarHBondContact O-CB 3.49Å; W156-H159 PolarHBondContact O-N 3.37Å; W156-H159 VanDerWaalsContact O-N 3.08Å; W156-Y160 AromaticContact CH2-CD2 3.49Å; W156-Y160 HydrophobicContact CH2-CD2 3.49Å; W156-Y160 VanDerWaalsContact CH2-CD2 3.49Å; W156-Y160 HydrophobicContact CH2-CE2 4.05Å; W156-Y160 AromaticContact CH2-CG 3.82Å; W156-Y160 HydrophobicContact CH2-CG 3.82Å; W156-Y160 AromaticContact CZ2-CD2 3.55Å; W156-Y160 HydrophobicContact CZ2-CD2 3.55Å; W156-Y160 HydrophobicContact CZ2-CE2 4.36Å; W156-Y160 HydrophobicContact CZ2-CG 4.03Å; W156-Y160 HydrophobicContact CZ3-CD2 4.3Å; W156-Y160 HydrophobicContact CZ3-CG 4.18Å; W156-Y160 PolarHBondContact O-N 2.89Å
157	I	92.9	Very high	89.4	Confident	78 Å²	78	53.3 Å²	53.3	40%	0.4	26%	0.26	S	S	.	.	H	α-helix	trans	-53.5	-49.6	-176.9	-72.1	165.1	0	0	0	112.8	I153 A154 H159 Y160 L161	I153-I157 WeakPolarHBondContact O-CG1 3.43Å; I153-I157 PolarHBondContact O-N 3.24Å; I153-I157 VanDerWaalsContact O-N 3.09Å; A154-I157 PolarHBondContact O-N 2.94Å; I157-H159 VanDerWaalsContact C-N 3.3Å; I157-H159 PolarHBondContact O-N 3.09Å; I157-Y160 PolarHBondContact O-N 3.27Å; I157-Y160 VanDerWaalsContact O-N 3.17Å; I157-L161 HydrophobicContact CG2-CD1 3.65Å; I157-L161 HydrophobicContact CG2-CG 4.06Å; I157-L161 WeakPolarHBondContact O-CB 3.36Å; I157-L161 WeakPolarHBondContact O-CG 3.34Å; I157-L161 PolarHBondContact O-N 3.47Å
158	P	90.5	Very high	88.6	Confident	13 Å²	13	58.6 Å²	58.6	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-39.4	177	-26.7	34.1	0	0	0	113.6	A154 M155 Y162 K351 V354 L355	A154-P158 WeakPolarHBondContact O-CD 3.4Å; M155-P158 WeakPolarHBondContact O-CD 3.42Å; P158-Y162 WeakPolarHBondContact O-CB 3.49Å; P158-Y162 PolarHBondContact O-N 3.41Å; P158-Y162 VanDerWaalsContact O-N 3.07Å; P158-K351 HydrophobicContact CB-CG 4.19Å; P158-V354 HydrophobicContact CG-CG1 3.87Å; P158-L355 HydrophobicContact CB-CD2 4.24Å; P158-L355 HydrophobicContact CB-CG 4.35Å; P158-L355 HydrophobicContact CG-CD2 4.23Å
159	H	90.3	Very high	87.9	Confident	13 Å²	13	61.1 Å²	61.1	6%	0.06	29%	0.286	C	S	.	.	H	α-helix	trans	-66.4	-44.3	176.2	-69.4	-99.4	0	0	0	111.3	D44 L48 M155 W156 I157 H163 K351	D44-H159 PolarHBondContact O-CE1 3.49Å; L48-H159 HydrophobicContact CD1-CB 4.17Å; M155-H159 PolarHBondContact O-CD2 2.91Å; W156-H159 WeakPolarHBondContact O-CB 3.49Å; W156-H159 PolarHBondContact O-N 3.37Å; W156-H159 VanDerWaalsContact O-N 3.08Å; I157-H159 VanDerWaalsContact C-N 3.3Å; I157-H159 PolarHBondContact O-N 3.09Å; H159-H163 WeakPolarHBondContact O-CB 3.49Å; H159-H163 PolarHBondContact O-N 2.89Å; H159-K351 PolarHBondContact ND1-NZ 3.5Å
160	Y	89.8	Confident	87	Confident	88 Å²	88	59.3 Å²	59.3	35%	0.345	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-46.3	178.3	176.5	-99.9	0	0	0	112.4	W156 I157 H163 R164	W156-Y160 AromaticContact CH2-CD2 3.49Å; W156-Y160 HydrophobicContact CH2-CD2 3.49Å; W156-Y160 VanDerWaalsContact CH2-CD2 3.49Å; W156-Y160 HydrophobicContact CH2-CE2 4.05Å; W156-Y160 AromaticContact CH2-CG 3.82Å; W156-Y160 HydrophobicContact CH2-CG 3.82Å; W156-Y160 AromaticContact CZ2-CD2 3.55Å; W156-Y160 HydrophobicContact CZ2-CD2 3.55Å; W156-Y160 HydrophobicContact CZ2-CE2 4.36Å; W156-Y160 HydrophobicContact CZ2-CG 4.03Å; W156-Y160 HydrophobicContact CZ3-CD2 4.3Å; W156-Y160 HydrophobicContact CZ3-CG 4.18Å; W156-Y160 PolarHBondContact O-N 2.89Å; I157-Y160 PolarHBondContact O-N 3.27Å; I157-Y160 VanDerWaalsContact O-N 3.17Å; Y160-H163 PolarHBondContact O-N 3.46Å; Y160-R164 VanDerWaalsContact O-CB 3.27Å; Y160-R164 WeakPolarHBondContact O-CB 3.45Å; Y160-R164 PolarHBondContact O-N 2.92Å; Y160-R164 PolarHBondContact OH-NH1 3.23Å
161	L	90	Very high	86	Confident	100 Å²	100	55.8 Å²	55.8	52%	0.524	26%	0.258	S	S	.	.	H	α-helix	trans	-65.3	-41.3	179.6	-69.3	176.6	0	0	0	111.9	I157 S165	I157-L161 HydrophobicContact CG2-CD1 3.65Å; I157-L161 HydrophobicContact CG2-CG 4.06Å; I157-L161 WeakPolarHBondContact O-CB 3.36Å; I157-L161 WeakPolarHBondContact O-CG 3.34Å; I157-L161 PolarHBondContact O-N 3.47Å; L161-S165 WeakPolarHBondContact O-CB 3.46Å; L161-S165 PolarHBondContact O-N 3.5Å; L161-S165 PolarHBondContact O-OG 3.46Å
162	Y	87	Confident	85	Confident	19 Å²	19	62.5 Å²	62.5	8%	0.075	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-54.8	173.4	179.3	-97.7	0	0	0	110.3	P158 R164 S165 T166 R347 Y348 K351	P158-Y162 WeakPolarHBondContact O-CB 3.49Å; P158-Y162 PolarHBondContact O-N 3.41Å; P158-Y162 VanDerWaalsContact O-N 3.07Å; Y162-R164 VanDerWaalsContact C-N 3.34Å; Y162-R164 PolarHBondContact O-N 3.46Å; Y162-S165 PolarHBondContact O-N 3.13Å; Y162-S165 VanDerWaalsContact O-N 3.13Å; Y162-S165 PolarHBondContact O-OG 3.35Å; Y162-S165 VanDerWaalsContact O-OG 3.05Å; Y162-T166 HydrophobicContact CD2-CG2 4.05Å; Y162-T166 HydrophobicContact CE2-CG2 3.8Å; Y162-T166 PolarHBondContact O-N 2.91Å; Y162-T166 PolarHBondContact O-OG1 2.98Å; Y162-R347 HydrophobicContact CD2-CB 4.31Å; Y162-R347 HydrophobicContact CE2-CB 4.38Å; Y162-Y348 HydrophobicContact CE2-CD2 4.07Å; Y162-Y348 AromaticContact CZ-CD2 3.94Å; Y162-K351 HydrophobicContact CD1-CD 4.4Å; Y162-K351 HydrophobicContact CD2-CD 4.25Å; Y162-K351 HydrophobicContact CG-CD 3.91Å
163	H	86.2	Confident	83.9	Confident	61 Å²	61	63.6 Å²	63.6	28%	0.282	29%	0.288	S	S	.	.	H	α-helix	trans	-56.5	-46.9	179.6	-175.7	-82.8	0	0	0	111.9	F8 H159 Y160 S165 D167	F8-H163 AromaticContact CE1-NE2 3.77Å; H159-H163 WeakPolarHBondContact O-CB 3.49Å; H159-H163 PolarHBondContact O-N 2.89Å; Y160-H163 PolarHBondContact O-N 3.46Å; H163-S165 VanDerWaalsContact C-N 3.3Å; H163-S165 PolarHBondContact O-N 3.07Å; H163-D167 IonicContact CE1-OD2 2.63Å; H163-D167 PolarHBondContact CE1-OD2 3.45Å; H163-D167 VanDerWaalsContact CE1-OD2 3.23Å; H163-D167 IonicContact NE2-OD1 3.17Å; H163-D167 IonicContact NE2-OD2 2.83Å; H163-D167 PolarHBondContact NE2-OD2 2.81Å; H163-D167 WeakPolarHBondContact O-CB 3.4Å; H163-D167 PolarHBondContact O-N 3.27Å
164	R	86.2	Confident	82.8	Confident	175 Å²	175	59.2 Å²	59.2	66%	0.66	27%	0.266	S	S	*	.	H	α-helix	trans	-62.7	-35.5	-179.9	-177.4	172.9	177.3	153.2	-4.2	113	Y160 Y162	Y160-R164 VanDerWaalsContact O-CB 3.27Å; Y160-R164 WeakPolarHBondContact O-CB 3.45Å; Y160-R164 PolarHBondContact O-N 2.92Å; Y160-R164 PolarHBondContact OH-NH1 3.23Å; Y162-R164 VanDerWaalsContact C-N 3.34Å; Y162-R164 PolarHBondContact O-N 3.46Å
165	S	82.8	Confident	81.7	Confident	49 Å²	49	58.1 Å²	58.1	34%	0.343	26%	0.256	S	S	.	.	H	α-helix	trans	-85.9	-31.2	-176	60.4	0	0	0	0	113.8	L161 Y162 H163	L161-S165 WeakPolarHBondContact O-CB 3.46Å; L161-S165 PolarHBondContact O-N 3.5Å; L161-S165 PolarHBondContact O-OG 3.46Å; Y162-S165 PolarHBondContact O-N 3.13Å; Y162-S165 VanDerWaalsContact O-N 3.13Å; Y162-S165 PolarHBondContact O-OG 3.35Å; Y162-S165 VanDerWaalsContact O-OG 3.05Å; H163-S165 VanDerWaalsContact C-N 3.3Å; H163-S165 PolarHBondContact O-N 3.07Å
166	T	80.6	Confident	80.5	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-109.5	-27.5	-173.1	63.1	0	0	0	0	114	Y162 R168 T169 A170 F343 Y344 R347	Y162-T166 HydrophobicContact CD2-CG2 4.05Å; Y162-T166 HydrophobicContact CE2-CG2 3.8Å; Y162-T166 PolarHBondContact O-N 2.91Å; Y162-T166 PolarHBondContact O-OG1 2.98Å; T166-R168 PolarHBondContact O-N 2.97Å; T166-T169 PolarHBondContact O-N 2.84Å; T166-T169 PolarHBondContact O-OG1 3.05Å; T166-T169 VanDerWaalsContact O-OG1 3.07Å; T166-A170 WeakPolarHBondContact O-CB 3.21Å; T166-A170 PolarHBondContact O-N 3.2Å; T166-F343 HydrophobicContact CG2-CE1 4.37Å; T166-Y344 HydrophobicContact CG2-CD1 4.3Å; T166-R347 HydrophobicContact CG2-CB 4.41Å
167	D	78.5	Confident	79.2	Confident	15 Å²	15	56.3 Å²	56.3	8%	0.08	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-48.1	-167	-174.3	48.4	0	0	0	112.4	T39 H163 T169 R171	T39-D167 WeakPolarHBondContact CB-OD1 3.39Å; T39-D167 VanDerWaalsContact CG2-OD1 3.25Å; T39-D167 WeakPolarHBondContact CG2-OD1 3.44Å; T39-D167 PolarHBondContact OG1-OD1 2.66Å; H163-D167 IonicContact CE1-OD2 2.63Å; H163-D167 PolarHBondContact CE1-OD2 3.45Å; H163-D167 VanDerWaalsContact CE1-OD2 3.23Å; H163-D167 IonicContact NE2-OD1 3.17Å; H163-D167 IonicContact NE2-OD2 2.83Å; H163-D167 PolarHBondContact NE2-OD2 2.81Å; H163-D167 WeakPolarHBondContact O-CB 3.4Å; H163-D167 PolarHBondContact O-N 3.27Å; D167-T169 PolarHBondContact O-N 3.31Å; D167-R171 VanDerWaalsContact CG-NE 3.29Å; D167-R171 WeakPolarHBondContact O-CB 3.26Å; D167-R171 WeakPolarHBondContact O-CG 2.92Å; D167-R171 PolarHBondContact O-N 3.35Å; D167-R171 IonicContact OD1-CZ 3.19Å; D167-R171 IonicContact OD1-NE 3.6Å; D167-R171 PolarHBondContact OD1-NE 2.93Å; D167-R171 IonicContact OD1-NH2 2.69Å; D167-R171 PolarHBondContact OD1-NH2 3.05Å; D167-R171 IonicContact OD2-CZ 3.06Å; D167-R171 IonicContact OD2-NE 3.62Å; D167-R171 PolarHBondContact OD2-NE 3.5Å; D167-R171 IonicContact OD2-NH2 2.75Å; D167-R171 PolarHBondContact OD2-NH2 2.93Å
168	R	72.9	Confident	78	Confident	192 Å²	192	55.3 Å²	55.3	73%	0.725	25%	0.246	S	C	*	.	H	α-helix	trans	-66.4	-41	-179.3	-70.9	-175.4	178.8	177.8	-0.6	113.1	Y34 T166 R172	Y34-R168 PolarHBondContact OH-O 3.39Å; T166-R168 PolarHBondContact O-N 2.97Å; R168-R172 WeakPolarHBondContact O-CB 3.18Å; R168-R172 PolarHBondContact O-N 2.94Å; R168-R172 VanDerWaalsContact O-N 3.16Å
169	T	74.3	Confident	76.7	Confident	55 Å²	55	55.6 Å²	55.6	34%	0.337	25%	0.249	S	C	.	.	H	α-helix	trans	-73.4	-45.6	-178.5	57.8	0	0	0	0	110.4	T166 D167 R171 R172 D173 Y344	T166-T169 PolarHBondContact O-N 2.84Å; T166-T169 PolarHBondContact O-OG1 3.05Å; T166-T169 VanDerWaalsContact O-OG1 3.07Å; D167-T169 PolarHBondContact O-N 3.31Å; T169-R171 PolarHBondContact O-N 2.97Å; T169-R172 WeakPolarHBondContact O-CB 3.48Å; T169-R172 PolarHBondContact O-N 3.15Å; T169-R172 VanDerWaalsContact O-N 3.16Å; T169-D173 PolarHBondContact O-N 3.01Å; T169-Y344 WeakPolarHBondContact CB-OH 3.37Å; T169-Y344 PolarHBondContact O-OH 3.43Å; T169-Y344 PolarHBondContact OG1-OH 3.47Å
170	A	73.5	Confident	75.4	Confident	9 Å²	9	55.8 Å²	55.8	7%	0.074	25%	0.25	C	S	.	.	H	α-helix	trans	-61.1	-44.4	177.5	0	0	0	0	0	111.5	T39 T166 R172 D173 L174 Y344	T39-A170 HydrophobicContact CG2-CB 3.9Å; T166-A170 WeakPolarHBondContact O-CB 3.21Å; T166-A170 PolarHBondContact O-N 3.2Å; A170-R172 VanDerWaalsContact C-N 3.34Å; A170-R172 PolarHBondContact O-N 2.93Å; A170-D173 PolarHBondContact O-N 3.14Å; A170-L174 VanDerWaalsContact O-CB 3.28Å; A170-L174 WeakPolarHBondContact O-CB 3.48Å; A170-L174 WeakPolarHBondContact O-CG 3.43Å; A170-L174 PolarHBondContact O-N 3.3Å; A170-Y344 HydrophobicContact CB-CD1 4.41Å; A170-Y344 HydrophobicContact CB-CE1 3.76Å; A170-Y344 PolarHBondContact N-OH 3.5Å
171	R	73.5	Confident	74.1	Confident	41 Å²	41	52.2 Å²	52.2	16%	0.155	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-39.9	175.5	-72.2	177.6	-165.6	-149.4	12.7	112.5	Y34 F37 T39 D167 T169 C175	Y34-R171 HydrophobicContact CD2-CB 3.96Å; Y34-R171 HydrophobicContact CE1-CB 4.22Å; Y34-R171 HydrophobicContact CE2-CB 3.44Å; Y34-R171 VanDerWaalsContact CE2-CB 3.44Å; Y34-R171 WeakPolarHBondContact O-CD 2.95Å; Y34-R171 PolarHBondContact O-NH1 3Å; F37-R171 HydrophobicContact CB-CG 4.32Å; T39-R171 HydrophobicContact CG2-CG 3.69Å; D167-R171 VanDerWaalsContact CG-NE 3.29Å; D167-R171 WeakPolarHBondContact O-CB 3.26Å; D167-R171 WeakPolarHBondContact O-CG 2.92Å; D167-R171 PolarHBondContact O-N 3.35Å; D167-R171 IonicContact OD1-CZ 3.19Å; D167-R171 IonicContact OD1-NE 3.6Å; D167-R171 PolarHBondContact OD1-NE 2.93Å; D167-R171 IonicContact OD1-NH2 2.69Å; D167-R171 PolarHBondContact OD1-NH2 3.05Å; D167-R171 IonicContact OD2-CZ 3.06Å; D167-R171 IonicContact OD2-NE 3.62Å; D167-R171 PolarHBondContact OD2-NE 3.5Å; D167-R171 IonicContact OD2-NH2 2.75Å; D167-R171 PolarHBondContact OD2-NH2 2.93Å; T169-R171 PolarHBondContact O-N 2.97Å; R171-C175 VanDerWaalsContact O-CB 3.23Å; R171-C175 WeakPolarHBondContact O-CB 3.47Å; R171-C175 PolarHBondContact O-N 3.24Å; R171-C175 PolarHBondContact O-SG 3.14Å
172	R	70.9	Confident	72.8	Confident	169 Å²	169	50.5 Å²	50.5	64%	0.638	23%	0.226	S	C	*	.	H	α-helix	trans	-61.5	-48	176.2	178.9	-178.4	173.4	175.2	-2.1	110.6	R168 T169 A170 C175 L176	R168-R172 WeakPolarHBondContact O-CB 3.18Å; R168-R172 PolarHBondContact O-N 2.94Å; R168-R172 VanDerWaalsContact O-N 3.16Å; T169-R172 WeakPolarHBondContact O-CB 3.48Å; T169-R172 PolarHBondContact O-N 3.15Å; T169-R172 VanDerWaalsContact O-N 3.16Å; A170-R172 VanDerWaalsContact C-N 3.34Å; A170-R172 PolarHBondContact O-N 2.93Å; R172-C175 WeakPolarHBondContact O-CB 3.35Å; R172-C175 PolarHBondContact O-N 3.29Å; R172-L176 HydrophobicContact CG-CD1 4.2Å; R172-L176 WeakPolarHBondContact O-CG 3.29Å; R172-L176 PolarHBondContact O-N 3.07Å
173	D	70	Confident	71.4	Confident	25 Å²	25	51.4 Å²	51.4	13%	0.134	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-42.1	-179.2	-65	-8.6	0	0	0	111	T169 A170 C175 L176 V177 Y344	T169-D173 PolarHBondContact O-N 3.01Å; A170-D173 PolarHBondContact O-N 3.14Å; D173-C175 PolarHBondContact O-N 3.06Å; D173-L176 WeakPolarHBondContact O-CB 3.41Å; D173-L176 PolarHBondContact O-N 3.19Å; D173-V177 WeakPolarHBondContact O-CB 3.33Å; D173-V177 VanDerWaalsContact O-CG2 3.27Å; D173-V177 WeakPolarHBondContact O-CG2 3.39Å; D173-V177 PolarHBondContact O-N 3.28Å; D173-Y344 PolarHBondContact OD2-OH 2.93Å
174	L	71.2	Confident	69.9	Low	1 Å²	1	51.7 Å²	51.7	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-40	174.3	-71.8	171.7	0	0	0	112.6	F37 A170 R178 W338 L508 F516	F37-L174 HydrophobicContact CB-CD1 4.17Å; F37-L174 HydrophobicContact CD1-CB 4.03Å; F37-L174 HydrophobicContact CD1-CD1 4.14Å; F37-L174 HydrophobicContact CD2-CB 4.33Å; F37-L174 HydrophobicContact CE1-CB 4.15Å; F37-L174 HydrophobicContact CE2-CB 4.42Å; F37-L174 HydrophobicContact CG-CB 4.13Å; F37-L174 HydrophobicContact CG-CD1 4.24Å; F37-L174 HydrophobicContact CZ-CB 4.3Å; A170-L174 VanDerWaalsContact O-CB 3.28Å; A170-L174 WeakPolarHBondContact O-CB 3.48Å; A170-L174 WeakPolarHBondContact O-CG 3.43Å; A170-L174 PolarHBondContact O-N 3.3Å; L174-R178 WeakPolarHBondContact O-CB 3.27Å; L174-R178 PolarHBondContact O-N 3.43Å; L174-W338 HydrophobicContact CD2-CH2 3.91Å; L174-W338 HydrophobicContact CD2-CZ3 4.46Å; L174-L508 HydrophobicContact CD1-CD2 4.36Å; L174-L508 HydrophobicContact CD2-CD2 3.85Å; L174-L508 HydrophobicContact CD2-CG 4.21Å; L174-L508 HydrophobicContact CG-CD2 4.4Å; L174-F516 HydrophobicContact CB-CZ 4.08Å; L174-F516 HydrophobicContact CD2-CE2 3.78Å; L174-F516 HydrophobicContact CD2-CZ 3.78Å; L174-F516 WeakPolarHBondContact O-CZ 3.24Å
175	C	69	Low	68.5	Low	4 Å²	4	49.5 Å²	49.5	3%	0.027	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-43.8	173.6	-83.3	0	0	0	0	111.8	V30 F37 R171 R172 D173 R178 A179	V30-C175 HydrophobicContact CG1-CB 4.09Å; V30-C175 HydrophobicContact CG2-CB 4.25Å; F37-C175 HydrophobicContact CE2-CB 4.41Å; F37-C175 WeakPolarHBondContact CE2-SG 3.38Å; R171-C175 VanDerWaalsContact O-CB 3.23Å; R171-C175 WeakPolarHBondContact O-CB 3.47Å; R171-C175 PolarHBondContact O-N 3.24Å; R171-C175 PolarHBondContact O-SG 3.14Å; R172-C175 WeakPolarHBondContact O-CB 3.35Å; R172-C175 PolarHBondContact O-N 3.29Å; D173-C175 PolarHBondContact O-N 3.06Å; C175-R178 PolarHBondContact O-N 3.14Å; C175-A179 WeakPolarHBondContact O-CB 3.34Å; C175-A179 PolarHBondContact O-N 2.86Å
176	L	67.7	Low	67.2	Low	73 Å²	73	52 Å²	52	38%	0.382	23%	0.23	S	C	.	.	H	α-helix	trans	-60.9	-53	175.5	-74.1	167.9	0	0	0	110.2	R172 D173 R178 A179 E180	R172-L176 HydrophobicContact CG-CD1 4.2Å; R172-L176 WeakPolarHBondContact O-CG 3.29Å; R172-L176 PolarHBondContact O-N 3.07Å; D173-L176 WeakPolarHBondContact O-CB 3.41Å; D173-L176 PolarHBondContact O-N 3.19Å; L176-R178 VanDerWaalsContact C-N 3.26Å; L176-R178 PolarHBondContact O-N 3.44Å; L176-A179 PolarHBondContact O-N 3.07Å; L176-A179 VanDerWaalsContact O-N 3.09Å; L176-E180 VanDerWaalsContact O-CG 3.26Å; L176-E180 WeakPolarHBondContact O-CG 3.37Å; L176-E180 PolarHBondContact O-N 3.34Å
177	V	66.5	Low	65.8	Low	1 Å²	1	53 Å²	53	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-53.9	-45	176.5	170.8	0	0	0	0	110.8	D173 E180 L181 Y334 A337 W338 F516	D173-V177 WeakPolarHBondContact O-CB 3.33Å; D173-V177 VanDerWaalsContact O-CG2 3.27Å; D173-V177 WeakPolarHBondContact O-CG2 3.39Å; D173-V177 PolarHBondContact O-N 3.28Å; V177-E180 PolarHBondContact O-N 3.3Å; V177-L181 HydrophobicContact CG1-CD1 3.85Å; V177-L181 HydrophobicContact CG1-CG 4.14Å; V177-L181 WeakPolarHBondContact O-CB 3.22Å; V177-L181 WeakPolarHBondContact O-CG 3.49Å; V177-L181 PolarHBondContact O-N 3.22Å; V177-Y334 HydrophobicContact CG1-CD2 3.85Å; V177-Y334 HydrophobicContact CG1-CE2 4.21Å; V177-A337 HydrophobicContact CG2-CB 3.52Å; V177-W338 HydrophobicContact CB-CZ2 4.45Å; V177-W338 HydrophobicContact CG1-CZ2 4Å; V177-W338 HydrophobicContact CG2-CD2 4.45Å; V177-W338 HydrophobicContact CG2-CH2 4.46Å; V177-W338 HydrophobicContact CG2-CZ2 3.9Å; V177-F516 HydrophobicContact CB-CE1 4.43Å; V177-F516 HydrophobicContact CG1-CE1 3.96Å
178	R	67.8	Low	64.3	Low	58 Å²	58	54.9 Å²	54.9	22%	0.219	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-46.3	178.3	-175.8	-173.9	171	102.6	1.2	112	F37 L174 C175 L176 E180 L181 H182 L515 F516	F37-R178 HydrophobicContact CZ-CB 4Å; F37-R178 HydrophobicContact CZ-CG 4.41Å; L174-R178 WeakPolarHBondContact O-CB 3.27Å; L174-R178 PolarHBondContact O-N 3.43Å; C175-R178 PolarHBondContact O-N 3.14Å; L176-R178 VanDerWaalsContact C-N 3.26Å; L176-R178 PolarHBondContact O-N 3.44Å; R178-E180 VanDerWaalsContact C-N 3.29Å; R178-E180 PolarHBondContact O-N 3.48Å; R178-L181 PolarHBondContact O-N 3.03Å; R178-H182 WeakPolarHBondContact O-CB 3.33Å; R178-H182 PolarHBondContact O-N 3.2Å; R178-L515 VanDerWaalsContact NH1-C 3.33Å; R178-L515 VanDerWaalsContact NH1-CA 3.27Å; R178-L515 VanDerWaalsContact NH1-CB 3.34Å; R178-L515 PolarHBondContact NH1-O 3.47Å; R178-F516 HydrophobicContact CB-CD1 4.35Å; R178-F516 HydrophobicContact CB-CE1 3.59Å; R178-F516 HydrophobicContact CB-CZ 4.19Å; R178-F516 HydrophobicContact CG-CE1 4.3Å
179	A	62.8	Low	63.2	Low	19 Å²	19	49.7 Å²	49.7	16%	0.157	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-42.9	-179.6	0	0	0	0	0	110.9	V30 C175 L176 H182 S183	V30-A179 HydrophobicContact CG2-CB 4.47Å; C175-A179 WeakPolarHBondContact O-CB 3.34Å; C175-A179 PolarHBondContact O-N 2.86Å; L176-A179 PolarHBondContact O-N 3.07Å; L176-A179 VanDerWaalsContact O-N 3.09Å; A179-H182 PolarHBondContact O-N 2.64Å; A179-S183 WeakPolarHBondContact O-CB 3.42Å; A179-S183 PolarHBondContact O-N 3.27Å
180	E	63	Low	62.1	Low	17 Å²	17	53.7 Å²	53.7	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-47.7	178	-66.1	-63.5	153.5	0	0	112.1	L176 V177 R178 H182 S183 F184 W329 T333	L176-E180 VanDerWaalsContact O-CG 3.26Å; L176-E180 WeakPolarHBondContact O-CG 3.37Å; L176-E180 PolarHBondContact O-N 3.34Å; V177-E180 PolarHBondContact O-N 3.3Å; R178-E180 VanDerWaalsContact C-N 3.29Å; R178-E180 PolarHBondContact O-N 3.48Å; E180-H182 VanDerWaalsContact C-N 3.27Å; E180-H182 PolarHBondContact O-N 3.08Å; E180-S183 WeakPolarHBondContact O-CB 3.38Å; E180-S183 PolarHBondContact O-N 2.86Å; E180-S183 VanDerWaalsContact O-N 3.13Å; E180-S183 PolarHBondContact O-OG 2.89Å; E180-F184 WeakPolarHBondContact O-CB 3.41Å; E180-F184 PolarHBondContact O-N 2.87Å; E180-W329 VanDerWaalsContact OE1-CH2 3.32Å; E180-W329 WeakPolarHBondContact OE1-CH2 3.31Å; E180-W329 WeakPolarHBondContact OE1-CZ3 3.47Å; E180-W329 WeakPolarHBondContact OE2-CZ3 3.36Å; E180-T333 HydrophobicContact CG-CG2 3.48Å; E180-T333 VanDerWaalsContact CG-CG2 3.48Å
181	L	62.8	Low	60.7	Low	13 Å²	13	55.8 Å²	55.8	7%	0.068	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-37.8	176.5	-70.8	-174.9	0	0	0	112.4	V177 R178 F184 R185 Y334 F516 I522	V177-L181 HydrophobicContact CG1-CD1 3.85Å; V177-L181 HydrophobicContact CG1-CG 4.14Å; V177-L181 WeakPolarHBondContact O-CB 3.22Å; V177-L181 WeakPolarHBondContact O-CG 3.49Å; V177-L181 PolarHBondContact O-N 3.22Å; R178-L181 PolarHBondContact O-N 3.03Å; L181-F184 WeakPolarHBondContact O-CB 3.38Å; L181-F184 PolarHBondContact O-N 3.19Å; L181-R185 PolarHBondContact O-N 3Å; L181-Y334 HydrophobicContact CD2-CD2 4.16Å; L181-F516 HydrophobicContact CD1-CD1 4.14Å; L181-I522 HydrophobicContact CD1-CD1 4.11Å; L181-I522 HydrophobicContact CD2-CD1 3.16Å; L181-I522 HydrophobicContact CG-CD1 4.15Å
182	H	62.5	Low	59.3	Low	64 Å²	64	58.5 Å²	58.5	30%	0.296	28%	0.279	S	S	.	.	H	α-helix	trans	-69.8	-37.9	175.9	-175.4	-97.4	0	0	0	111.8	R178 A179 E180 R185 R186	R178-H182 WeakPolarHBondContact O-CB 3.33Å; R178-H182 PolarHBondContact O-N 3.2Å; A179-H182 PolarHBondContact O-N 2.64Å; E180-H182 VanDerWaalsContact C-N 3.27Å; E180-H182 PolarHBondContact O-N 3.08Å; H182-R185 PolarHBondContact O-N 3.34Å; H182-R186 PolarHBondContact CE1-NE 3.43Å; H182-R186 PolarHBondContact CE1-NH2 3.15Å; H182-R186 WeakPolarHBondContact O-CG 3.3Å; H182-R186 PolarHBondContact O-N 3.39Å
183	S	57.2	Low	57.9	Low	38 Å²	38	52.7 Å²	52.7	27%	0.266	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-41.7	172.9	82	0	0	0	0	111.6	A179 E180 R185 R186 A187	A179-S183 WeakPolarHBondContact O-CB 3.42Å; A179-S183 PolarHBondContact O-N 3.27Å; E180-S183 WeakPolarHBondContact O-CB 3.38Å; E180-S183 PolarHBondContact O-N 2.86Å; E180-S183 VanDerWaalsContact O-N 3.13Å; E180-S183 PolarHBondContact O-OG 2.89Å; S183-R185 PolarHBondContact O-N 2.72Å; S183-R186 PolarHBondContact O-N 3.36Å; S183-A187 PolarHBondContact O-N 3.4Å
184	F	54.8	Low	56.6	Low	67 Å²	67	58 Å²	58	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-58.1	-50.4	174.7	178.9	-108.1	0	0	0	111.1	E180 L181 R186 A187 V188 A327 S330	E180-F184 WeakPolarHBondContact O-CB 3.41Å; E180-F184 PolarHBondContact O-N 2.87Å; L181-F184 WeakPolarHBondContact O-CB 3.38Å; L181-F184 PolarHBondContact O-N 3.19Å; F184-R186 VanDerWaalsContact C-N 3.3Å; F184-R186 PolarHBondContact O-N 3.35Å; F184-A187 PolarHBondContact O-N 3.4Å; F184-V188 HydrophobicContact CD1-CG2 4.18Å; F184-V188 HydrophobicContact CD2-CG2 4.12Å; F184-V188 HydrophobicContact CE1-CG2 3.8Å; F184-V188 HydrophobicContact CE2-CG2 3.74Å; F184-V188 HydrophobicContact CG-CG2 4.34Å; F184-V188 HydrophobicContact CZ-CG2 3.57Å; F184-V188 WeakPolarHBondContact O-CG2 3.33Å; F184-V188 PolarHBondContact O-N 3.04Å; F184-A327 HydrophobicContact CD2-CB 4.16Å; F184-A327 HydrophobicContact CE2-CB 3.84Å; F184-S330 WeakPolarHBondContact CB-OG 3.21Å; F184-S330 WeakPolarHBondContact CD2-OG 3.33Å
185	R	55.7	Low	55.1	Low	128 Å²	128	62.8 Å²	62.8	48%	0.483	31%	0.311	S	S	.	.	H	α-helix	trans	-58.6	-42.4	177.8	177.3	169.1	176	170.6	1.5	112.1	L181 H182 S183 T189 D518	L181-R185 PolarHBondContact O-N 3Å; H182-R185 PolarHBondContact O-N 3.34Å; S183-R185 PolarHBondContact O-N 2.72Å; R185-T189 WeakPolarHBondContact O-CB 3.31Å; R185-T189 PolarHBondContact O-N 2.86Å; R185-T189 PolarHBondContact O-OG1 3.21Å; R185-D518 WeakPolarHBondContact CD-OD2 3.4Å; R185-D518 IonicContact CZ-OD2 3.09Å; R185-D518 IonicContact NE-OD2 3.86Å; R185-D518 IonicContact NH1-OD1 3.34Å; R185-D518 PolarHBondContact NH1-OD1 2.9Å; R185-D518 VanDerWaalsContact NH1-OD1 3.09Å; R185-D518 IonicContact NH1-OD2 3.31Å; R185-D518 PolarHBondContact NH1-OD2 2.92Å
186	R	55.8	Low	53.7	Low	103 Å²	103	68.4 Å²	68.4	39%	0.389	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-48	176.2	-77	-176	174.4	175.9	-0.1	111.2	Y24 H182 S183 F184 T189 Q190	Y24-R186 PolarHBondContact O-NH1 2.89Å; Y24-R186 VanDerWaalsContact O-NH1 3.14Å; H182-R186 PolarHBondContact CE1-NE 3.43Å; H182-R186 PolarHBondContact CE1-NH2 3.15Å; H182-R186 WeakPolarHBondContact O-CG 3.3Å; H182-R186 PolarHBondContact O-N 3.39Å; S183-R186 PolarHBondContact O-N 3.36Å; F184-R186 VanDerWaalsContact C-N 3.3Å; F184-R186 PolarHBondContact O-N 3.35Å; R186-T189 PolarHBondContact O-N 2.99Å; R186-Q190 WeakPolarHBondContact O-CG 3.15Å; R186-Q190 PolarHBondContact O-N 3.44Å
187	A	50.9	Low	52.6	Low	20 Å²	20	68.8 Å²	68.8	17%	0.165	34%	0.343	C	S	.	.	H	α-helix	trans	-58.7	-51.5	177.5	0	0	0	0	0	111.2	S183 F184 T189 Q190 E191	S183-A187 PolarHBondContact O-N 3.4Å; F184-A187 PolarHBondContact O-N 3.4Å; A187-T189 VanDerWaalsContact C-N 3.29Å; A187-T189 PolarHBondContact O-N 2.98Å; A187-Q190 WeakPolarHBondContact O-CB 3.42Å; A187-Q190 PolarHBondContact O-N 3.46Å; A187-Q190 VanDerWaalsContact O-N 3.11Å; A187-E191 WeakPolarHBondContact O-CG 3.17Å; A187-E191 PolarHBondContact O-N 2.77Å
188	V	48.1	Very low	51.5	Low	55 Å²	55	73 Å²	73	33%	0.333	37%	0.365	S	S	.	.	H	α-helix	trans	-59.5	-38.9	178.2	173.1	0	0	0	0	112	F184 E191 L192	F184-V188 HydrophobicContact CD1-CG2 4.18Å; F184-V188 HydrophobicContact CD2-CG2 4.12Å; F184-V188 HydrophobicContact CE1-CG2 3.8Å; F184-V188 HydrophobicContact CE2-CG2 3.74Å; F184-V188 HydrophobicContact CG-CG2 4.34Å; F184-V188 HydrophobicContact CZ-CG2 3.57Å; F184-V188 WeakPolarHBondContact O-CG2 3.33Å; F184-V188 PolarHBondContact O-N 3.04Å; V188-E191 PolarHBondContact O-N 3.29Å; V188-L192 HydrophobicContact CG1-CD1 4.45Å; V188-L192 WeakPolarHBondContact O-CB 3.07Å; V188-L192 PolarHBondContact O-N 3.4Å
189	T	48.9	Very low	49.8	Very low	84 Å²	84	72.9 Å²	72.9	52%	0.515	38%	0.376	S	S	.	.	H	α-helix	trans	-67.9	-37.8	178.4	-53	0	0	0	0	111.4	R185 R186 A187 L192 A193	R185-T189 WeakPolarHBondContact O-CB 3.31Å; R185-T189 PolarHBondContact O-N 2.86Å; R185-T189 PolarHBondContact O-OG1 3.21Å; R186-T189 PolarHBondContact O-N 2.99Å; A187-T189 VanDerWaalsContact C-N 3.29Å; A187-T189 PolarHBondContact O-N 2.98Å; T189-L192 PolarHBondContact O-N 2.88Å; T189-A193 WeakPolarHBondContact O-CB 3.11Å; T189-A193 PolarHBondContact O-N 2.69Å
190	Q	52.1	Low	48.7	Very low	138 Å²	138	76.3 Å²	76.3	65%	0.645	40%	0.395	S	S	*	.	H	α-helix	trans	-67.2	-43.1	175.2	-72.7	172.8	-27.7	0	0	111.6	R186 A187 L192 A193 Y194	R186-Q190 WeakPolarHBondContact O-CG 3.15Å; R186-Q190 PolarHBondContact O-N 3.44Å; A187-Q190 WeakPolarHBondContact O-CB 3.42Å; A187-Q190 PolarHBondContact O-N 3.46Å; A187-Q190 VanDerWaalsContact O-N 3.11Å; Q190-L192 PolarHBondContact O-N 2.83Å; Q190-A193 PolarHBondContact O-N 3.49Å; Q190-Y194 WeakPolarHBondContact O-CB 3.21Å; Q190-Y194 PolarHBondContact O-N 3Å
191	E	44.6	Very low	47.5	Very low	54 Å²	54	79 Å²	79	25%	0.252	42%	0.421	S	S	.	.	H	α-helix	trans	-59.3	-46.1	173.3	-69.2	-52.2	134.7	0	0	111.9	A187 V188 A193 Y194 L195 H323	A187-E191 WeakPolarHBondContact O-CG 3.17Å; A187-E191 PolarHBondContact O-N 2.77Å; V188-E191 PolarHBondContact O-N 3.29Å; E191-A193 VanDerWaalsContact C-N 3.3Å; E191-A193 PolarHBondContact O-N 2.76Å; E191-Y194 PolarHBondContact O-N 2.74Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 3.04Å; E191-H323 WeakPolarHBondContact OE1-CB 3.12Å; E191-H323 IonicContact OE1-CD2 3.86Å; E191-H323 PolarHBondContact OE1-CD2 3.42Å; E191-H323 IonicContact OE1-CG 3.79Å
192	L	42.7	Very low	46.1	Very low	97 Å²	97	83 Å²	83	51%	0.508	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-40.9	179.5	-127.8	100.7	0	0	0	111.3	V188 T189 Q190 Q196	V188-L192 HydrophobicContact CG1-CD1 4.45Å; V188-L192 WeakPolarHBondContact O-CB 3.07Å; V188-L192 PolarHBondContact O-N 3.4Å; T189-L192 PolarHBondContact O-N 2.88Å; Q190-L192 PolarHBondContact O-N 2.83Å; L192-Q196 WeakPolarHBondContact O-CB 3.19Å; L192-Q196 VanDerWaalsContact O-CG 3.26Å; L192-Q196 WeakPolarHBondContact O-CG 3.36Å; L192-Q196 PolarHBondContact O-N 2.64Å
193	A	43.2	Very low	44.9	Very low	47 Å²	47	84.7 Å²	84.7	39%	0.388	47%	0.465	S	S	.	.	H	α-helix	trans	-65.3	-42.5	176.3	0	0	0	0	0	111.5	T189 Q190 E191 Q196 T197	T189-A193 WeakPolarHBondContact O-CB 3.11Å; T189-A193 PolarHBondContact O-N 2.69Å; Q190-A193 PolarHBondContact O-N 3.49Å; E191-A193 VanDerWaalsContact C-N 3.3Å; E191-A193 PolarHBondContact O-N 2.76Å; A193-Q196 PolarHBondContact O-N 3.46Å; A193-T197 WeakPolarHBondContact O-CG2 3.38Å; A193-T197 PolarHBondContact O-N 2.92Å; A193-T197 PolarHBondContact O-OG1 3.41Å
194	Y	42.5	Very low	43.6	Very low	137 Å²	137	88.9 Å²	88.9	54%	0.537	48%	0.484	S	S	.	.	H	α-helix	trans	-60.5	-49	175.8	177.6	-105.6	0	0	0	111.8	Q190 E191 Q196 T197 L198	Q190-Y194 WeakPolarHBondContact O-CB 3.21Å; Q190-Y194 PolarHBondContact O-N 3Å; E191-Y194 PolarHBondContact O-N 2.74Å; Y194-Q196 VanDerWaalsContact C-N 3.32Å; Y194-Q196 PolarHBondContact O-N 3.29Å; Y194-T197 WeakPolarHBondContact CA-OG1 3.27Å; Y194-T197 PolarHBondContact O-N 2.8Å; Y194-T197 VanDerWaalsContact O-N 3.14Å; Y194-T197 PolarHBondContact O-OG1 3.05Å; Y194-L198 HydrophobicContact CD1-CD1 4.29Å; Y194-L198 HydrophobicContact CD2-CD1 4.3Å; Y194-L198 HydrophobicContact CE1-CD1 3.68Å; Y194-L198 HydrophobicContact CE2-CD1 3.7Å; Y194-L198 PolarHBondContact O-N 3.36Å
195	L	39.6	Very low	42.5	Very low	101 Å²	101	92.6 Å²	92.6	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-37.7	176.6	-69.9	172.9	0	0	0	112.4	E191 L198 A199	E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 3.04Å; L195-L198 PolarHBondContact O-N 2.98Å; L195-A199 WeakPolarHBondContact O-CB 3.4Å; L195-A199 PolarHBondContact O-N 3.13Å
196	Q	38.8	Very low	41.2	Very low	122 Å²	122	90 Å²	90	57%	0.57	52%	0.524	S	S	*	.	H	α-helix	trans	-63.4	-42.1	173.5	-78.9	175.9	-18.8	0	0	111.8	L192 A193 Y194 A199 T200	L192-Q196 WeakPolarHBondContact O-CB 3.19Å; L192-Q196 VanDerWaalsContact O-CG 3.26Å; L192-Q196 WeakPolarHBondContact O-CG 3.36Å; L192-Q196 PolarHBondContact O-N 2.64Å; A193-Q196 PolarHBondContact O-N 3.46Å; Y194-Q196 VanDerWaalsContact C-N 3.32Å; Y194-Q196 PolarHBondContact O-N 3.29Å; Q196-A199 PolarHBondContact O-N 2.94Å; Q196-T200 WeakPolarHBondContact O-CG2 3.28Å; Q196-T200 PolarHBondContact O-N 3.33Å; Q196-T200 PolarHBondContact O-OG1 2.93Å
197	T	45.5	Very low	39.8	Very low	81 Å²	81	89.7 Å²	89.7	50%	0.497	54%	0.544	S	S	.	.	H	α-helix	trans	-66.4	-36.6	177	57	0	0	0	0	113	A193 Y194 T200 A201	A193-T197 WeakPolarHBondContact O-CG2 3.38Å; A193-T197 PolarHBondContact O-N 2.92Å; A193-T197 PolarHBondContact O-OG1 3.41Å; Y194-T197 WeakPolarHBondContact CA-OG1 3.27Å; Y194-T197 PolarHBondContact O-N 2.8Å; Y194-T197 VanDerWaalsContact O-N 3.14Å; Y194-T197 PolarHBondContact O-OG1 3.05Å; T197-T200 WeakPolarHBondContact CA-OG1 3.23Å; T197-T200 PolarHBondContact O-N 2.79Å; T197-T200 PolarHBondContact O-OG1 3.31Å; T197-T200 VanDerWaalsContact O-OG1 3.04Å; T197-A201 VanDerWaalsContact O-CB 3.31Å; T197-A201 WeakPolarHBondContact O-CB 3.34Å; T197-A201 PolarHBondContact O-N 3.5Å
198	L	42.5	Very low	38.8	Very low	90 Å²	90	94.5 Å²	94.5	47%	0.471	57%	0.574	S	S	.	*	H	α-helix	trans	-63.7	-43.2	172.8	-113.3	90.7	0	0	0	111.6	Y194 L195 A201 S202	Y194-L198 HydrophobicContact CD1-CD1 4.29Å; Y194-L198 HydrophobicContact CD2-CD1 4.3Å; Y194-L198 HydrophobicContact CE1-CD1 3.68Å; Y194-L198 HydrophobicContact CE2-CD1 3.7Å; Y194-L198 PolarHBondContact O-N 3.36Å; L195-L198 PolarHBondContact O-N 2.98Å; L198-A201 PolarHBondContact O-N 3.34Å; L198-S202 PolarHBondContact O-N 3.16Å
199	A	32.9	Very low	37.8	Very low	55 Å²	55	99 Å²	99	46%	0.455	60%	0.601	S	S	.	*	H	α-helix	trans	-64.4	-40.3	178.8	0	0	0	0	0	111.9	L195 Q196 S202	L195-A199 WeakPolarHBondContact O-CB 3.4Å; L195-A199 PolarHBondContact O-N 3.13Å; Q196-A199 PolarHBondContact O-N 2.94Å; A199-S202 PolarHBondContact O-N 2.97Å; A199-S202 PolarHBondContact O-OG 3.46Å
200	T	38.2	Very low	36.7	Very low	91 Å²	91	97.8 Å²	97.8	56%	0.558	61%	0.606	S	S	*	*	H	α-helix	trans	-75.2	-28.4	177.4	53.5	0	0	0	0	113.7	Q196 T197 S202 T203	Q196-T200 WeakPolarHBondContact O-CG2 3.28Å; Q196-T200 PolarHBondContact O-N 3.33Å; Q196-T200 PolarHBondContact O-OG1 2.93Å; T197-T200 WeakPolarHBondContact CA-OG1 3.23Å; T197-T200 PolarHBondContact O-N 2.79Å; T197-T200 PolarHBondContact O-OG1 3.31Å; T197-T200 VanDerWaalsContact O-OG1 3.04Å; T200-S202 PolarHBondContact O-N 2.84Å; T200-T203 PolarHBondContact O-OG1 3.3Å; T200-T203 VanDerWaalsContact O-OG1 3.05Å
201	A	37.7	Very low	35.6	Very low	75 Å²	75	97.7 Å²	97.7	62%	0.62	62%	0.615	S	S	*	*	H	α-helix	trans	-73.7	-16.3	172.8	0	0	0	0	0	112.6	T197 L198	T197-A201 VanDerWaalsContact O-CB 3.31Å; T197-A201 WeakPolarHBondContact O-CB 3.34Å; T197-A201 PolarHBondContact O-N 3.5Å; L198-A201 PolarHBondContact O-N 3.34Å
202	S	34.9	Very low	34.7	Very low	95 Å²	95	105.8 Å²	105.8	66%	0.664	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-10	178.4	75.5	0	0	0	0	114.5	L198 A199 T200	L198-S202 PolarHBondContact O-N 3.16Å; A199-S202 PolarHBondContact O-N 2.97Å; A199-S202 PolarHBondContact O-OG 3.46Å; T200-S202 PolarHBondContact O-N 2.84Å
203	T	36	Very low	34	Very low	101 Å²	101	108.4 Å²	108.4	62%	0.62	66%	0.664	S	S	*	*	S	Bend	trans	-98.8	-10.8	-175.1	45.9	0	0	0	0	115	T200	T200-T203 PolarHBondContact O-OG1 3.3Å; T200-T203 VanDerWaalsContact O-OG1 3.05Å
204	D	31.4	Very low	33.1	Very low	125 Å²	125	111.3 Å²	111.3	67%	0.668	68%	0.681	S	S	*	*	S	Bend	trans	-131.7	135.6	175.1	-71.6	-46.9	0	0	0	108.2
205	V	31.7	Very low	32.6	Very low	146 Å²	146	111.5 Å²	111.5	89%	0.885	70%	0.699	S	S	*	*	S	Bend	trans	102.1	100.9	179.1	-169.3	0	0	0	0	114.3	A207	V205-A207 PolarHBondContact O-N 2.85Å
206	G	27.4	Very low	32	Very low	72 Å²	72	111.2 Å²	111.2	74%	0.742	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-57	128.1	172.5	0	0	0	0	0	112.5
207	A	27.1	Very low	31.5	Very low	97 Å²	97	110.8 Å²	110.8	80%	0.802	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-75.7	127.2	-179.1	0	0	0	0	0	111.8	V205	V205-A207 PolarHBondContact O-N 2.85Å
208	P	29.2	Very low	30.8	Very low	121 Å²	121	113.6 Å²	113.6	79%	0.786	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-85.9	123.4	154.6	19.4	-3.6	0	0	0	109.1	G210	P208-G210 PolarHBondContact O-N 2.86Å
209	T	27.8	Very low	30.2	Very low	149 Å²	149	114.6 Å²	114.6	91%	0.914	74%	0.743	S	S	*	*			trans	-58.9	113.3	171.2	33.6	0	0	0	0	111.5
210	G	25.4	Very low	30	Very low	59 Å²	59	117.7 Å²	117.7	61%	0.608	76%	0.759	S	S	*	*			trans	159.5	131.7	168.1	0	0	0	0	0	112.2	P208	P208-G210 PolarHBondContact O-N 2.86Å
211	T	28	Very low	29.7	Very low	137 Å²	137	120.1 Å²	120.1	84%	0.84	77%	0.774	S	S	*	*			trans	78.5	76.8	170.5	64.3	0	0	0	0	117.5	L213	T211-L213 PolarHBondContact O-N 2.94Å
212	F	25.9	Very low	29.3	Very low	223 Å²	223	119.3 Å²	119.3	98%	0.978	77%	0.773	S	S	*	*			trans	-80.1	85.8	157.9	-107.6	-95.5	0	0	0	109.2
213	L	27.5	Very low	29	Very low	153 Å²	153	120.8 Å²	120.8	80%	0.801	78%	0.78	S	S	*	*			trans	-140.5	110.9	167.5	-80.1	171.6	0	0	0	109.5	T211	T211-L213 PolarHBondContact O-N 2.94Å
214	S	26	Very low	28.6	Very low	107 Å²	107	123.3 Å²	123.3	75%	0.748	79%	0.788	S	S	*	*			trans	65.5	122.3	158.5	-49.5	0	0	0	0	119.4	A216	S214-A216 PolarHBondContact O-N 2.97Å; S214-A216 VanDerWaalsContact O-N 3.13Å
215	P	31.4	Very low	28.5	Very low	142 Å²	142	124.6 Å²	124.6	92%	0.922	79%	0.793	S	S	*	*			trans	-79.2	99.3	171.8	31.6	-29	0	0	0	110.2
216	A	27.1	Very low	28.2	Very low	94 Å²	94	126.1 Å²	126.1	78%	0.777	79%	0.791	S	S	*	*			trans	-81.4	137.4	169.1	0	0	0	0	0	111	S214	S214-A216 PolarHBondContact O-N 2.97Å; S214-A216 VanDerWaalsContact O-N 3.13Å
217	S	27.1	Very low	28.3	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	80%	0.796	S	S	*	*			trans	-62.4	136.2	-177.1	58.6	0	0	0	0	114.7
218	T	32.2	Very low	28.3	Very low	141 Å²	141	135.1 Å²	135.1	87%	0.865	80%	0.802	S	S	*	*			trans	-123.2	126.1	167	39.4	0	0	0	0	110.7
219	I	29	Very low	28.2	Very low	111 Å²	111	132.5 Å²	132.5	57%	0.569	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-102.6	142.3	174.3	-75.7	177.9	0	0	0	109.7	H271	I219-H271 WeakPolarHBondContact CD1-CE1 3.45Å; I219-H271 WeakPolarHBondContact CD1-NE2 3.19Å
220	P	29.8	Very low	28.4	Very low	120 Å²	120	133.6 Å²	133.6	78%	0.779	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-79.7	129.2	172.6	32.2	-31.6	0	0	0	111.4
221	T	31.7	Very low	28.3	Very low	142 Å²	142	140.3 Å²	140.3	87%	0.871	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-61.7	125.9	174.5	41.5	0	0	0	0	112.6
222	G	28.1	Very low	28.3	Very low	58 Å²	58	144.9 Å²	144.9	60%	0.598	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-72.9	171.4	162.4	0	0	0	0	0	112.7
223	P	29.3	Very low	28.6	Very low	125 Å²	125	138.2 Å²	138.2	81%	0.812	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-70.7	134.3	-168.1	29.8	-32.8	0	0	0	111.7	I225	P223-I225 PolarHBondContact O-N 2.6Å
224	I	26.8	Very low	28.6	Very low	154 Å²	154	138.8 Å²	138.8	79%	0.79	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-66.2	118.1	-179.1	-60.4	163.7	0	0	0	109.4
225	I	29.1	Very low	28.7	Very low	153 Å²	153	139.8 Å²	139.8	79%	0.785	79%	0.787	S	S	*	*			trans	-118.3	117.9	163.2	-58.3	178.5	0	0	0	107.2	P223 Q227	P223-I225 PolarHBondContact O-N 2.6Å; I225-Q227 PolarHBondContact O-N 3.21Å
226	H	26.8	Very low	28.5	Very low	178 Å²	178	136.3 Å²	136.3	82%	0.824	78%	0.777	S	S	*	*			trans	-60	125.7	-178.8	-86	-89.4	0	0	0	112.3
227	Q	28.7	Very low	28.6	Very low	185 Å²	185	140.1 Å²	140.1	86%	0.864	78%	0.783	S	S	*	*			trans	-95.8	136.7	167	-81.9	-174.8	-17.6	0	0	110.9	I225	I225-Q227 PolarHBondContact O-N 3.21Å
228	N	28.2	Very low	28.5	Very low	173 Å²	173	137.4 Å²	137.4	93%	0.925	77%	0.773	S	S	*	*			trans	-134.5	121.6	150.7	-103.7	-8.2	0	0	0	108
229	G	26.6	Very low	28.4	Very low	66 Å²	66	142.2 Å²	142.2	68%	0.68	78%	0.777	S	S	*	*			trans	111.4	105.4	147.5	0	0	0	0	0	119
230	L	31.4	Very low	28.1	Very low	172 Å²	172	142.4 Å²	142.4	90%	0.901	79%	0.788	S	S	*	*			trans	89	90.4	134.1	-67.7	148.2	0	0	0	120.6
231	Y	22.9	Very low	28.1	Very low	199 Å²	199	140.7 Å²	140.7	78%	0.78	79%	0.792	S	S	*	*				17.9	129	124.4	-115.5	-98.5	0	0	0	120.6
232	Y	28.4	Very low	27.8	Very low	233 Å²	233	142 Å²	142	91%	0.914	79%	0.788	S	S	*	*				-173.1	130.8	127.2	-109	-77.1	0	0	0	111.6
233	P	32.3	Very low	27.8	Very low	83 Å²	83	147 Å²	147	54%	0.539	80%	0.801	S	S	.	*			trans	-110.9	152.2	173.8	37.3	-27.1	0	0	0	113.2
234	H	28.1	Very low	27.6	Very low	166 Å²	166	148.1 Å²	148.1	77%	0.769	80%	0.801	S	S	*	*			trans	166.3	122.9	132.6	-99.7	-72.6	0	0	0	115.2
235	T	27.8	Very low	27.7	Very low	127 Å²	127	144.5 Å²	144.5	78%	0.779	80%	0.801	S	S	*	*			trans	40.1	136	132.8	55.8	0	0	0	0	124
236	G	28.1	Very low	27.4	Very low	69 Å²	69	144 Å²	144	71%	0.711	81%	0.805	S	S	*	*			trans	148.8	97	139.1	0	0	0	0	0	120.2
237	I	28.2	Very low	27.4	Very low	174 Å²	174	141.3 Å²	141.3	89%	0.892	81%	0.806	S	S	*	*			trans	51.5	120	130.8	-53.1	169	0	0	0	122.1
238	G	24.3	Very low	27.2	Very low	57 Å²	57	136.4 Å²	136.4	59%	0.588	81%	0.806	S	S	*	*				86.2	132	123.6	0	0	0	0	0	120
239	Y	30	Very low	27	Very low	241 Å²	241	139.7 Å²	139.7	95%	0.945	81%	0.805	S	S	*	*				178	129	124	-94.6	-70.3	0	0	0	111.8
240	S	23.2	Very low	27.2	Very low	116 Å²	116	142.9 Å²	142.9	81%	0.811	81%	0.812	S	S	*	*			trans	-72.7	146.7	168.2	50.2	0	0	0	0	112.2
241	G	29.8	Very low	26.9	Very low	83 Å²	83	141.3 Å²	141.3	86%	0.856	81%	0.809	S	S	*	*			trans	-149.8	100.9	172.7	0	0	0	0	0	112.1
242	Q	24.9	Very low	27	Very low	169 Å²	169	136.6 Å²	136.6	79%	0.79	81%	0.811	S	S	*	*			trans	-75.8	142.1	175.8	-174	171.5	1.8	0	0	110.6
243	N	29.9	Very low	26.9	Very low	164 Å²	164	129.5 Å²	129.5	88%	0.877	80%	0.801	S	S	*	*			trans	-169.1	132.6	143	-97.7	-19	0	0	0	113.9
244	D	23.8	Very low	26.6	Very low	149 Å²	149	132.1 Å²	132.1	80%	0.797	82%	0.816	S	S	*	*			trans	-66.8	167.5	178.6	-65.1	-55.8	0	0	0	114.9
245	G	28.3	Very low	26.7	Very low	77 Å²	77	132.1 Å²	132.1	79%	0.794	81%	0.814	S	S	*	*			trans	161.7	80.7	159.1	0	0	0	0	0	117.1
246	T	24	Very low	26.7	Very low	143 Å²	143	128.2 Å²	128.2	88%	0.877	80%	0.799	S	S	*	*			trans	-49.4	135.4	168	44.8	0	0	0	0	115.8
247	S	26.3	Very low	26.7	Very low	121 Å²	121	128.8 Å²	128.8	85%	0.846	81%	0.805	S	S	*	*			trans	-177.1	112.8	132.3	60.6	0	0	0	0	114.1
248	G	24.4	Very low	26.5	Very low	82 Å²	82	123.9 Å²	123.9	85%	0.845	80%	0.797	S	S	*	*			trans	57.7	94.6	141.6	0	0	0	0	0	120.3
249	R	25.4	Very low	26.6	Very low	242 Å²	242	124.8 Å²	124.8	91%	0.913	80%	0.795	S	S	*	*			trans	-151.6	112.9	159	-123.4	174.7	176.9	159.6	0.2	113.1	T251	R249-T251 PolarHBondContact O-N 3.2Å
250	T	29.1	Very low	26.5	Very low	134 Å²	134	117.5 Å²	117.5	82%	0.822	78%	0.784	S	S	*	*			trans	-66.2	111	172.6	40.6	0	0	0	0	111.8
251	T	24.8	Very low	26.7	Very low	138 Å²	138	119.2 Å²	119.2	85%	0.847	78%	0.783	S	S	*	*			trans	41.4	88.2	134.4	57.6	0	0	0	0	118.9	R249	R249-T251 PolarHBondContact O-N 3.2Å
252	A	25.2	Very low	26.6	Very low	100 Å²	100	119.1 Å²	119.1	83%	0.826	77%	0.769	S	S	*	*	S	Bend	trans	-144.6	104.8	143.2	0	0	0	0	0	108.4
253	A	27.8	Very low	26.6	Very low	84 Å²	84	119.2 Å²	119.2	69%	0.694	77%	0.77	S	S	*	*			trans	35.9	90.9	166.7	0	0	0	0	0	117.1	F255	A253-F255 VanDerWaalsContact C-N 3.28Å; A253-F255 PolarHBondContact O-N 2.81Å
254	T	26.1	Very low	26.5	Very low	139 Å²	139	116.5 Å²	116.5	85%	0.853	76%	0.76	S	S	*	*			trans	-43.3	91.7	144.6	-37.3	0	0	0	0	109.7	G256	T254-G256 PolarHBondContact O-N 3.36Å; T254-G256 VanDerWaalsContact O-N 3.13Å
255	F	29.2	Very low	26.6	Very low	165 Å²	165	115.5 Å²	115.5	72%	0.724	76%	0.759	S	S	*	*			trans	-67.8	106.8	154.4	-98	-87	0	0	0	105.6	A253 G257	A253-F255 VanDerWaalsContact C-N 3.28Å; A253-F255 PolarHBondContact O-N 2.81Å; F255-G257 PolarHBondContact O-N 3.4Å
256	G	28.9	Very low	26.5	Very low	45 Å²	45	115.9 Å²	115.9	46%	0.464	75%	0.754	S	S	.	*			trans	-59.4	106	-167.6	0	0	0	0	0	112.9	T254 G258	T254-G256 PolarHBondContact O-N 3.36Å; T254-G256 VanDerWaalsContact O-N 3.13Å; G256-G258 PolarHBondContact O-N 3.09Å
257	G	26.9	Very low	26.6	Very low	81 Å²	81	114.9 Å²	114.9	84%	0.835	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	40.4	154.6	0	0	0	0	0	112.6	F255	F255-G257 PolarHBondContact O-N 3.4Å
258	G	25.4	Very low	26.5	Very low	71 Å²	71	114.7 Å²	114.7	73%	0.732	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.3	11.2	-176.6	0	0	0	0	0	113.8	G256	G256-G258 PolarHBondContact O-N 3.09Å
259	S	25.8	Very low	26.7	Very low	77 Å²	77	116.5 Å²	116.5	54%	0.538	74%	0.739	S	S	.	*			trans	-80.3	128.3	168.3	-70.2	0	0	0	0	108.8	L261 S262	S259-L261 PolarHBondContact O-N 3.33Å; S259-S262 PolarHBondContact O-N 3.18Å; S259-S262 PolarHBondContact O-OG 2.9Å; S259-S262 VanDerWaalsContact O-OG 3.11Å
260	A	27.4	Very low	26.7	Very low	88 Å²	88	111.9 Å²	111.9	73%	0.727	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-6.3	177.2	0	0	0	0	0	114.5
261	L	28.2	Very low	26.5	Very low	152 Å²	152	111.9 Å²	111.9	80%	0.796	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-8.5	170	-93.9	84.5	0	0	0	114.8	S259 T264	S259-L261 PolarHBondContact O-N 3.33Å; L261-T264 PolarHBondContact O-OG1 3.27Å; L261-T264 VanDerWaalsContact O-OG1 3.06Å
262	S	26.6	Very low	26.7	Very low	80 Å²	80	109.9 Å²	109.9	56%	0.559	72%	0.719	S	S	*	*	S	Bend	trans	-93.4	2.6	175.1	77.4	0	0	0	0	113.3	S259	S259-S262 PolarHBondContact O-N 3.18Å; S259-S262 PolarHBondContact O-OG 2.9Å; S259-S262 VanDerWaalsContact O-OG 3.11Å
263	Q	26.1	Very low	26.7	Very low	171 Å²	171	113.9 Å²	113.9	80%	0.799	72%	0.72	S	S	*	*	S	Bend	trans	-105.3	-3.4	174.4	-73.1	-171.8	-5.8	0	0	113.4	T265	Q263-T265 PolarHBondContact O-N 3.35Å
264	T	27.3	Very low	26.7	Very low	108 Å²	108	118 Å²	118	66%	0.663	73%	0.725	S	S	*	*	S	Bend	trans	-75.7	98.1	167.6	39.9	0	0	0	0	108.6	L261 A266	L261-T264 PolarHBondContact O-OG1 3.27Å; L261-T264 VanDerWaalsContact O-OG1 3.06Å; T264-A266 PolarHBondContact O-N 3.26Å
265	T	25.5	Very low	26.9	Very low	128 Å²	128	119.7 Å²	119.7	79%	0.785	72%	0.723	S	S	*	*			trans	-38.8	125.2	157.8	22.4	0	0	0	0	108.8	Q263	Q263-T265 PolarHBondContact O-N 3.35Å
266	A	25.4	Very low	26.7	Very low	84 Å²	84	117.6 Å²	117.6	69%	0.694	73%	0.729	S	S	*	*			trans	-45.2	130	165.8	0	0	0	0	0	107.7	T264 T268	T264-A266 PolarHBondContact O-N 3.26Å; A266-T268 PolarHBondContact O-N 3.27Å
267	P	26	Very low	26.7	Very low	122 Å²	122	120.3 Å²	120.3	79%	0.792	75%	0.747	S	S	*	*			trans	-60.2	109.9	-174.4	24.2	-32.4	0	0	0	108.2	V269	P267-V269 PolarHBondContact O-N 3.44Å
268	T	26.1	Very low	26.7	Very low	118 Å²	118	122.8 Å²	122.8	72%	0.724	75%	0.746	S	S	*	*			trans	-61.6	112.4	163.1	25	0	0	0	0	106.3	A266 I270	A266-T268 PolarHBondContact O-N 3.27Å; T268-I270 PolarHBondContact O-N 2.79Å
269	V	27.8	Very low	26.9	Very low	119 Å²	119	127.5 Å²	127.5	72%	0.721	75%	0.753	S	S	*	*			trans	-65.7	101.6	175.1	179.4	0	0	0	0	107.8	P267	P267-V269 PolarHBondContact O-N 3.44Å
270	I	25.4	Very low	27	Very low	146 Å²	146	127 Å²	127	75%	0.749	76%	0.76	S	S	*	*			trans	-78.5	115.7	171.6	-64.7	164.6	0	0	0	107.2	T268 A272	T268-I270 PolarHBondContact O-N 2.79Å; I270-A272 PolarHBondContact O-N 3.4Å
271	H	24.9	Very low	27.1	Very low	133 Å²	133	130 Å²	130	62%	0.616	77%	0.77	S	S	*	*			trans	-77.1	115.2	169.8	-80.7	-43.7	0	0	0	110.8	I219	I219-H271 WeakPolarHBondContact CD1-CE1 3.45Å; I219-H271 WeakPolarHBondContact CD1-NE2 3.19Å
272	A	29	Very low	27.2	Very low	97 Å²	97	131 Å²	131	80%	0.802	77%	0.774	S	S	*	*			trans	-104.4	110.1	168.2	0	0	0	0	0	110	I270	I270-A272 PolarHBondContact O-N 3.4Å
273	Q	24.7	Very low	27.4	Very low	184 Å²	184	138.9 Å²	138.9	86%	0.86	79%	0.791	S	S	*	*			trans	-67.9	144.9	160.6	-74.6	175.3	-58.1	0	0	109.8
274	Q	28.8	Very low	27.6	Very low	170 Å²	170	134.7 Å²	134.7	79%	0.794	79%	0.794	S	S	*	*			trans	179.6	115.1	142.4	-102.5	166.2	-10.8	0	0	110.2
275	Q	29	Very low	27.6	Very low	175 Å²	175	133.3 Å²	133.3	82%	0.818	80%	0.801	S	S	*	*				88	115.7	89	-82.4	-179.2	-14.2	0	0	113.6
276	S	25.4	Very low	27.7	Very low	121 Å²	121	131.2 Å²	131.2	85%	0.846	81%	0.806	S	S	*	*			trans	-57	145.1	-179.7	-58.3	0	0	0	0	115
277	A	30.1	Very low	27.8	Very low	101 Å²	101	131.3 Å²	131.3	84%	0.835	82%	0.815	S	S	*	*			trans	-139.1	115.1	151.4	0	0	0	0	0	109.9
278	T	26.4	Very low	27.8	Very low	133 Å²	133	129.5 Å²	129.5	82%	0.816	82%	0.818	S	S	*	*			trans	-87	124.6	178.9	-37.8	0	0	0	0	109.6
279	I	29.6	Very low	27.8	Very low	170 Å²	170	127.9 Å²	127.9	87%	0.872	83%	0.825	S	S	*	*			trans	-140.1	127.1	163.5	-59.3	-178.4	0	0	0	108.6
280	G	26.5	Very low	27.7	Very low	68 Å²	68	126.5 Å²	126.5	70%	0.701	83%	0.834	S	S	*	*			trans	-98.5	-174.9	-162.6	0	0	0	0	0	117.4
281	T	31.3	Very low	27.8	Very low	151 Å²	151	122.9 Å²	122.9	93%	0.926	83%	0.834	S	S	*	*			trans	-141.5	118.2	172.3	26.5	0	0	0	0	110.7
282	I	29	Very low	28	Very low	172 Å²	172	124.1 Å²	124.1	88%	0.882	84%	0.843	S	S	*	*			trans	-104.1	126.6	166.9	-66.2	162.2	0	0	0	107.8
283	R	30.4	Very low	28	Very low	245 Å²	245	126 Å²	126	93%	0.925	84%	0.838	S	S	*	*			trans	178.1	108.3	139.5	-112.1	177.5	167.6	-178.2	-3.9	107.1
284	G	30.8	Very low	28.2	Very low	83 Å²	83	124.3 Å²	124.3	86%	0.856	84%	0.835	S	S	*	*				96.1	121.7	87.7	0	0	0	0	0	107.1
285	G	27.6	Very low	28.1	Very low	79 Å²	79	121.5 Å²	121.5	81%	0.814	83%	0.834	S	S	*	*			cis	141.2	104.1	20.3	0	0	0	0	0	106.1
286	G	27.2	Very low	28.3	Very low	85 Å²	85	118.5 Å²	118.5	88%	0.876	83%	0.83	S	S	*	*			trans	74.4	112.7	149.3	0	0	0	0	0	120
287	G	27	Very low	28.5	Very low	86 Å²	86	119.3 Å²	119.3	89%	0.887	83%	0.83	S	S	*	*				109.2	110.5	120.4	0	0	0	0	0	118.3
288	G	26.5	Very low	28.3	Very low	84 Å²	84	122.1 Å²	122.1	87%	0.866	83%	0.83	S	S	*	*			trans	110.1	104.2	130.5	0	0	0	0	0	118.2
289	G	26.6	Very low	28.2	Very low	83 Å²	83	121.5 Å²	121.5	86%	0.856	83%	0.831	S	S	*	*				98.6	94.5	125.9	0	0	0	0	0	119
290	G	26.4	Very low	28	Very low	90 Å²	90	119.1 Å²	119.1	93%	0.928	83%	0.827	S	S	*	*				76.9	128.3	122.2	0	0	0	0	0	119.2
291	G	26.5	Very low	28	Very low	71 Å²	71	120 Å²	120	73%	0.732	83%	0.827	S	S	*	*			trans	154.7	47.7	161.6	0	0	0	0	0	119.4
292	I	28.9	Very low	27.7	Very low	159 Å²	159	120.9 Å²	120.9	82%	0.815	83%	0.825	S	S	*	*			trans	39.3	140.6	135.6	-26.6	178.4	0	0	0	121.3
293	I	30.4	Very low	27.6	Very low	136 Å²	136	118.3 Å²	118.3	70%	0.697	82%	0.82	S	S	*	*			trans	113.4	98.6	138.5	-47.4	178.6	0	0	0	117.6
294	D	28.1	Very low	27.3	Very low	148 Å²	148	114.5 Å²	114.5	79%	0.791	82%	0.816	S	S	*	*				63.7	114.1	129.8	-49.5	-14.9	0	0	0	123.4
295	S	25.9	Very low	27	Very low	112 Å²	112	115.5 Å²	115.5	78%	0.783	81%	0.81	S	S	*	*			trans	-77.1	177.8	144.4	-39.5	0	0	0	0	109.5
296	P	34.7	Very low	26.9	Very low	111 Å²	111	121.2 Å²	121.2	72%	0.721	81%	0.813	S	S	*	*			cis	-135.5	175.1	-2.6	38.6	-20	0	0	0	113.2
297	T	28.4	Very low	26.7	Very low	138 Å²	138	120.2 Å²	120.2	85%	0.847	80%	0.802	S	S	*	*			trans	176	144.2	132.5	27.5	0	0	0	0	113.1
298	L	25.6	Very low	26.6	Very low	161 Å²	161	124.3 Å²	124.3	84%	0.843	80%	0.804	S	S	*	*			trans	-46	138.7	-173	-78.1	63.9	0	0	0	116.6
299	S	25.5	Very low	26.6	Very low	119 Å²	119	124 Å²	124	83%	0.832	79%	0.793	S	S	*	*				-163.6	136	118.3	-77	0	0	0	0	110.6
300	P	25.7	Very low	26.5	Very low	121 Å²	121	127.5 Å²	127.5	79%	0.786	79%	0.792	S	S	*	*			trans	-86.8	150.4	-168.2	35	-33.8	0	0	0	113.2
301	A	26	Very low	26.5	Very low	85 Å²	85	129.1 Å²	129.1	70%	0.702	78%	0.779	S	S	*	*			trans	62.1	97.4	148.9	0	0	0	0	0	118.8
302	L	24.7	Very low	26.4	Very low	171 Å²	171	130.9 Å²	130.9	90%	0.895	78%	0.78	S	S	*	*			trans	-159.7	88.5	143.5	-97	136.6	0	0	0	110.1
303	P	25.8	Very low	26.3	Very low	117 Å²	117	125.9 Å²	125.9	76%	0.76	76%	0.762	S	S	*	*			trans	-98.7	98.5	166.1	27.9	-13.5	0	0	0	110.2
304	I	25.3	Very low	26.2	Very low	166 Å²	166	124.8 Å²	124.8	85%	0.851	76%	0.764	S	S	*	*				22.3	113.2	123.6	-53.1	164.1	0	0	0	114.4
305	S	24.5	Very low	26.2	Very low	104 Å²	104	121.1 Å²	121.1	73%	0.727	76%	0.761	S	S	*	*			trans	-151.2	104.7	168.4	-176.2	0	0	0	0	112.5
306	F	24.9	Very low	26.1	Very low	199 Å²	199	122.8 Å²	122.8	87%	0.873	76%	0.761	S	S	*	*			trans	38.5	78.4	152.2	-63.6	-85.9	0	0	0	118.4
307	G	24.2	Very low	25.8	Very low	64 Å²	64	122.4 Å²	122.4	66%	0.66	75%	0.752	S	S	*	*			trans	-76.3	145.1	151.3	0	0	0	0	0	110.6
308	D	23.6	Very low	25.8	Very low	172 Å²	172	123.6 Å²	123.6	92%	0.92	75%	0.753	S	S	*	*			trans	71.7	57.8	162	-51.9	-21.3	0	0	0	117.8
309	A	26.4	Very low	25.8	Very low	77 Å²	77	121.4 Å²	121.4	64%	0.636	74%	0.742	S	S	*	*			trans	-115	115.3	158.4	0	0	0	0	0	110.9	L311	A309-L311 PolarHBondContact O-N 3.43Å
310	D	25	Very low	26	Very low	156 Å²	156	120.7 Å²	120.7	83%	0.834	73%	0.734	S	S	*	*			trans	-50.8	95.4	-178.7	-71.8	-53.4	0	0	0	114.3	S312	D310-S312 VanDerWaalsContact C-N 3.34Å; D310-S312 PolarHBondContact O-N 2.85Å
311	L	25.8	Very low	26	Very low	124 Å²	124	118.6 Å²	118.6	65%	0.649	72%	0.722	S	S	*	*			trans	-95.3	48	174.5	-84.8	138.6	0	0	0	112.3	A309 L317	A309-L311 PolarHBondContact O-N 3.43Å; L311-L317 HydrophobicContact CD2-CD1 3.82Å; L311-L317 HydrophobicContact CD2-CG 3.85Å
312	S	25.1	Very low	26	Very low	108 Å²	108	123.2 Å²	123.2	76%	0.755	73%	0.726	S	S	*	*			trans	-97.7	4.2	177.1	55.8	0	0	0	0	114.5	D310	D310-S312 VanDerWaalsContact C-N 3.34Å; D310-S312 PolarHBondContact O-N 2.85Å
313	A	26.1	Very low	26.3	Very low	54 Å²	54	121.2 Å²	121.2	45%	0.446	71%	0.712	S	S	.	*			trans	-108.4	119.7	174.7	0	0	0	0	0	111	G315 L316	A313-G315 PolarHBondContact O-N 3.37Å; A313-L316 PolarHBondContact O-N 3.47Å
314	P	29.3	Very low	26.6	Very low	113 Å²	113	118.1 Å²	118.1	73%	0.734	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	9.2	177.1	29.8	-34.8	0	0	0	113.9	W542	P314-W542 HydrophobicContact CG-CH2 4.39Å
315	G	27.2	Very low	27	Very low	71 Å²	71	115.4 Å²	115.4	73%	0.732	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	3.8	179.3	0	0	0	0	0	115.7	A313	A313-G315 PolarHBondContact O-N 3.37Å
316	L	25.3	Very low	27.5	Very low	148 Å²	148	116.3 Å²	116.3	78%	0.775	68%	0.683	S	S	*	*			trans	-124.5	5.1	-176.2	-134.3	94.9	0	0	0	115.5	A313 D318	A313-L316 PolarHBondContact O-N 3.47Å; L316-D318 PolarHBondContact O-N 3.45Å
317	L	26.7	Very low	28.1	Very low	103 Å²	103	108.3 Å²	108.3	54%	0.539	65%	0.654	S	S	.	*			trans	-84.3	94.5	163.5	-89.3	128.6	0	0	0	108.1	L311 L319	L311-L317 HydrophobicContact CD2-CD1 3.82Å; L311-L317 HydrophobicContact CD2-CG 3.85Å; L317-L319 HydrophobicContact CB-CD1 3.91Å; L317-L319 HydrophobicContact CD2-CD1 4.17Å; L317-L319 PolarHBondContact O-N 3.33Å
318	D	28.4	Very low	29.1	Very low	163 Å²	163	106.6 Å²	106.6	87%	0.872	63%	0.63	S	S	*	*			trans	-60.3	64.8	153.4	-82.7	-30	0	0	0	109.1	L316	L316-D318 PolarHBondContact O-N 3.45Å
319	L	26.5	Very low	30.1	Very low	115 Å²	115	105 Å²	105	60%	0.602	61%	0.611	S	S	*	*			trans	-62.6	136.9	148.6	-77.7	130.3	0	0	0	104.9	L317 C321	L317-L319 HydrophobicContact CB-CD1 3.91Å; L317-L319 HydrophobicContact CD2-CD1 4.17Å; L317-L319 PolarHBondContact O-N 3.33Å; L319-C321 VanDerWaalsContact C-N 3.26Å; L319-C321 PolarHBondContact O-N 2.95Å; L319-C321 PolarHBondContact O-SG 2.64Å
320	P	28.7	Very low	30.8	Very low	103 Å²	103	101.5 Å²	101.5	67%	0.669	58%	0.581	S	S	*	*			trans	-57.2	93.7	-176.7	23.7	-32.4	0	0	0	109.2	F322	P320-F322 PolarHBondContact O-N 2.94Å
321	C	27.6	Very low	32	Very low	77 Å²	77	95.8 Å²	95.8	52%	0.52	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.3	15.4	-175.2	-77.7	0	0	0	0	111.5	L319	L319-C321 VanDerWaalsContact C-N 3.26Å; L319-C321 PolarHBondContact O-N 2.95Å; L319-C321 PolarHBondContact O-SG 2.64Å
322	F	25.7	Very low	33.1	Very low	182 Å²	182	91.7 Å²	91.7	80%	0.798	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.5	66.5	-171.9	-72.2	-80.6	0	0	0	109.3	P320	P320-F322 PolarHBondContact O-N 2.94Å
323	H	31.3	Very low	34.2	Very low	130 Å²	130	88 Å²	88	60%	0.602	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	174.5	-8.5	154.4	-87.5	-11.4	0	0	0	113.1	E191 C325 H326	E191-H323 WeakPolarHBondContact OE1-CB 3.12Å; E191-H323 IonicContact OE1-CD2 3.86Å; E191-H323 PolarHBondContact OE1-CD2 3.42Å; E191-H323 IonicContact OE1-CG 3.79Å; H323-C325 PolarHBondContact O-N 3.31Å; H323-C325 VanDerWaalsContact O-N 3.11Å; H323-H326 PolarHBondContact O-N 3.4Å
324	A	31	Very low	35.6	Very low	52 Å²	52	86.6 Å²	86.6	43%	0.43	49%	0.486	S	S	.	.	H	α-helix	trans	-57	-21.5	173.6	0	0	0	0	0	115.5	H326 A327 D328	A324-H326 VanDerWaalsContact C-N 3.35Å; A324-H326 PolarHBondContact O-N 3.46Å; A324-A327 PolarHBondContact O-N 3.4Å; A324-D328 WeakPolarHBondContact O-CB 3.32Å; A324-D328 PolarHBondContact O-N 2.99Å
325	C	33.3	Very low	36.8	Very low	109 Å²	109	81.9 Å²	81.9	74%	0.736	46%	0.455	S	S	*	.	H	α-helix	trans	-61.3	-33.3	179.7	-88.9	0	0	0	0	114.6	H323 W329	H323-C325 PolarHBondContact O-N 3.31Å; H323-C325 VanDerWaalsContact O-N 3.11Å; C325-W329 WeakPolarHBondContact O-CB 3.34Å; C325-W329 PolarHBondContact O-N 2.88Å; C325-W329 VanDerWaalsContact O-N 3.11Å
326	H	35.8	Very low	37.9	Very low	122 Å²	122	80.2 Å²	80.2	57%	0.565	43%	0.434	S	S	*	.	H	α-helix	trans	-79.7	-33.3	178.9	-94	-64.2	0	0	0	112.5	H323 A324 W329 S330	H323-H326 PolarHBondContact O-N 3.4Å; A324-H326 VanDerWaalsContact C-N 3.35Å; A324-H326 PolarHBondContact O-N 3.46Å; H326-W329 PolarHBondContact O-N 3.21Å; H326-S330 PolarHBondContact O-N 3.27Å; H326-S330 PolarHBondContact O-OG 2.97Å
327	A	37.7	Very low	39.3	Very low	31 Å²	31	73.9 Å²	73.9	26%	0.256	40%	0.402	S	S	.	.	H	α-helix	trans	-68.4	-42.7	174.2	0	0	0	0	0	111.5	F184 A324 W329 S330 L331	F184-A327 HydrophobicContact CD2-CB 4.16Å; F184-A327 HydrophobicContact CE2-CB 3.84Å; A324-A327 PolarHBondContact O-N 3.4Å; A327-W329 VanDerWaalsContact C-N 3.33Å; A327-W329 PolarHBondContact O-N 3.32Å; A327-S330 PolarHBondContact O-N 3.03Å; A327-S330 PolarHBondContact O-OG 3.41Å; A327-L331 PolarHBondContact O-N 2.87Å
328	D	44.6	Very low	41	Very low	28 Å²	28	69.8 Å²	69.8	15%	0.15	38%	0.38	C	S	.	.	H	α-helix	trans	-66	-35.5	174.8	-72.2	-18.5	0	0	0	111.9	A324 N332 Y470	A324-D328 WeakPolarHBondContact O-CB 3.32Å; A324-D328 PolarHBondContact O-N 2.99Å; D328-N332 VanDerWaalsContact O-CB 3.24Å; D328-N332 WeakPolarHBondContact O-CB 2.92Å; D328-N332 PolarHBondContact O-N 3.34Å; D328-N332 PolarHBondContact O-ND2 2.85Å; D328-N332 VanDerWaalsContact O-ND2 3.13Å; D328-Y470 PolarHBondContact O-OH 2.96Å; D328-Y470 WeakPolarHBondContact OD1-CE2 3.26Å
329	W	44.3	Very low	42.4	Very low	140 Å²	140	63.4 Å²	63.4	53%	0.53	35%	0.345	S	S	.	.	H	α-helix	trans	-66.3	-46.7	177.8	-170.1	59.4	0	0	0	112.2	E180 C325 H326 A327 L331 N332 T333	E180-W329 VanDerWaalsContact OE1-CH2 3.32Å; E180-W329 WeakPolarHBondContact OE1-CH2 3.31Å; E180-W329 WeakPolarHBondContact OE1-CZ3 3.47Å; E180-W329 WeakPolarHBondContact OE2-CZ3 3.36Å; C325-W329 WeakPolarHBondContact O-CB 3.34Å; C325-W329 PolarHBondContact O-N 2.88Å; C325-W329 VanDerWaalsContact O-N 3.11Å; H326-W329 PolarHBondContact O-N 3.21Å; A327-W329 VanDerWaalsContact C-N 3.33Å; A327-W329 PolarHBondContact O-N 3.32Å; W329-L331 PolarHBondContact O-N 3.15Å; W329-N332 PolarHBondContact O-N 3.45Å; W329-T333 WeakPolarHBondContact O-CB 3Å; W329-T333 PolarHBondContact O-N 3.31Å; W329-T333 PolarHBondContact O-OG1 3.07Å
330	S	42.4	Very low	44.1	Very low	2 Å²	2	62.7 Å²	62.7	1%	0.014	34%	0.342	C	S	.	.	H	α-helix	trans	-67	-35.5	-179	61.1	0	0	0	0	113.9	F184 H326 A327 Y334	F184-S330 WeakPolarHBondContact CB-OG 3.21Å; F184-S330 WeakPolarHBondContact CD2-OG 3.33Å; H326-S330 PolarHBondContact O-N 3.27Å; H326-S330 PolarHBondContact O-OG 2.97Å; A327-S330 PolarHBondContact O-N 3.03Å; A327-S330 PolarHBondContact O-OG 3.41Å; S330-Y334 WeakPolarHBondContact O-CB 3.41Å; S330-Y334 PolarHBondContact O-N 2.86Å
331	L	48.8	Very low	45.9	Very low	37 Å²	37	58 Å²	58	19%	0.194	31%	0.311	C	S	.	.	H	α-helix	trans	-73.6	-38.7	174.7	-172.3	63.8	0	0	0	111.2	A327 W329 T333 Y334 L335 F466 Y470	A327-L331 PolarHBondContact O-N 2.87Å; W329-L331 PolarHBondContact O-N 3.15Å; L331-T333 VanDerWaalsContact C-N 3.33Å; L331-T333 PolarHBondContact O-N 3.01Å; L331-Y334 HydrophobicContact CD1-CD1 4.34Å; L331-Y334 WeakPolarHBondContact O-CB 3.13Å; L331-Y334 PolarHBondContact O-N 3.12Å; L331-L335 HydrophobicContact CG-CD1 4.14Å; L331-L335 WeakPolarHBondContact O-CB 3.13Å; L331-L335 WeakPolarHBondContact O-CD1 3.21Å; L331-L335 WeakPolarHBondContact O-CG 2.8Å; L331-L335 PolarHBondContact O-N 2.96Å; L331-F466 HydrophobicContact CD2-CE1 4.34Å; L331-F466 HydrophobicContact CD2-CZ 4.42Å; L331-Y470 HydrophobicContact CB-CE1 4.4Å; L331-Y470 HydrophobicContact CB-CE2 4.31Å; L331-Y470 HydrophobicContact CD2-CD1 3.92Å; L331-Y470 HydrophobicContact CD2-CD2 3.71Å; L331-Y470 HydrophobicContact CD2-CE1 3.77Å; L331-Y470 HydrophobicContact CD2-CE2 3.58Å; L331-Y470 HydrophobicContact CD2-CG 3.86Å; L331-Y470 HydrophobicContact CG-CD1 4.45Å; L331-Y470 HydrophobicContact CG-CE1 3.92Å; L331-Y470 HydrophobicContact CG-CE2 4.27Å
332	N	49.7	Very low	47.8	Very low	37 Å²	37	58.4 Å²	58.4	20%	0.198	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-40.5	170.5	-84.3	-35.9	0	0	0	112.1	D328 W329 L335 A336 Y470 L474	D328-N332 VanDerWaalsContact O-CB 3.24Å; D328-N332 WeakPolarHBondContact O-CB 2.92Å; D328-N332 PolarHBondContact O-N 3.34Å; D328-N332 PolarHBondContact O-ND2 2.85Å; D328-N332 VanDerWaalsContact O-ND2 3.13Å; W329-N332 PolarHBondContact O-N 3.45Å; N332-L335 PolarHBondContact O-N 3.39Å; N332-A336 WeakPolarHBondContact O-CA 3.41Å; N332-A336 WeakPolarHBondContact O-CB 3.29Å; N332-A336 PolarHBondContact O-N 2.91Å; N332-Y470 PolarHBondContact N-OH 3.49Å; N332-Y470 PolarHBondContact ND2-OH 3.39Å; N332-Y470 PolarHBondContact OD1-OH 2.9Å; N332-L474 WeakPolarHBondContact ND2-CD1 3.16Å; N332-L474 WeakPolarHBondContact ND2-CD2 3.44Å; N332-L474 WeakPolarHBondContact OD1-CD1 3.09Å
333	T	48.6	Very low	50.1	Low	31 Å²	31	53 Å²	53	19%	0.19	28%	0.284	C	S	.	.	H	α-helix	trans	-73.4	-34	179	-50.1	0	0	0	0	111.5	E180 W329 L331 A337	E180-T333 HydrophobicContact CG-CG2 3.48Å; E180-T333 VanDerWaalsContact CG-CG2 3.48Å; W329-T333 WeakPolarHBondContact O-CB 3Å; W329-T333 PolarHBondContact O-N 3.31Å; W329-T333 PolarHBondContact O-OG1 3.07Å; L331-T333 VanDerWaalsContact C-N 3.33Å; L331-T333 PolarHBondContact O-N 3.01Å; T333-A337 WeakPolarHBondContact O-CB 3.48Å; T333-A337 PolarHBondContact O-N 2.78Å
334	Y	54.3	Low	52.2	Low	24 Å²	24	47.6 Å²	47.6	9%	0.094	26%	0.259	C	S	.	.	H	α-helix	trans	-55.1	-57	166	177.6	-95.8	0	0	0	109	V177 L181 S330 L331 A336 A337 W338	V177-Y334 HydrophobicContact CG1-CD2 3.85Å; V177-Y334 HydrophobicContact CG1-CE2 4.21Å; L181-Y334 HydrophobicContact CD2-CD2 4.16Å; S330-Y334 WeakPolarHBondContact O-CB 3.41Å; S330-Y334 PolarHBondContact O-N 2.86Å; L331-Y334 HydrophobicContact CD1-CD1 4.34Å; L331-Y334 WeakPolarHBondContact O-CB 3.13Å; L331-Y334 PolarHBondContact O-N 3.12Å; Y334-A336 VanDerWaalsContact C-N 3.35Å; Y334-A336 PolarHBondContact O-N 2.95Å; Y334-A337 PolarHBondContact O-N 2.86Å; Y334-W338 AromaticContact CD1-CD1 3.76Å; Y334-W338 AromaticContact CD1-NE1 3.76Å; Y334-W338 AromaticContact CD2-NE1 3.22Å; Y334-W338 AromaticContact CE1-CD1 3.73Å; Y334-W338 AromaticContact CE1-NE1 3.64Å; Y334-W338 AromaticContact CE2-CE2 3.93Å; Y334-W338 HydrophobicContact CE2-CZ2 4.19Å; Y334-W338 AromaticContact CE2-NE1 3.07Å; Y334-W338 AromaticContact CG-CD1 3.9Å; Y334-W338 AromaticContact CG-NE1 3.56Å; Y334-W338 AromaticContact CZ-CD1 3.85Å; Y334-W338 AromaticContact CZ-NE1 3.29Å; Y334-W338 VanDerWaalsContact CZ-NE1 3.29Å; Y334-W338 VanDerWaalsContact O-CG 3.3Å; Y334-W338 PolarHBondContact O-N 3.11Å; Y334-W338 PolarHBondContact O-NE1 3.07Å
335	L	53.9	Low	54.4	Low	15 Å²	15	47.1 Å²	47.1	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-66.4	-33.1	-176.8	-63.4	166.7	0	0	0	113.9	L331 N332 W338 Q339 F467 Y470 F502 F564	L331-L335 HydrophobicContact CG-CD1 4.14Å; L331-L335 WeakPolarHBondContact O-CB 3.13Å; L331-L335 WeakPolarHBondContact O-CD1 3.21Å; L331-L335 WeakPolarHBondContact O-CG 2.8Å; L331-L335 PolarHBondContact O-N 2.96Å; N332-L335 PolarHBondContact O-N 3.39Å; L335-W338 PolarHBondContact O-N 3.32Å; L335-Q339 WeakPolarHBondContact O-CG 3.41Å; L335-Q339 PolarHBondContact O-N 2.96Å; L335-F467 HydrophobicContact CD1-CD2 4.21Å; L335-F467 HydrophobicContact CD1-CE2 3.26Å; L335-F467 HydrophobicContact CD1-CZ 3.85Å; L335-F467 HydrophobicContact CD2-CD2 4.35Å; L335-F467 HydrophobicContact CD2-CE2 3.38Å; L335-F467 HydrophobicContact CD2-CZ 4.05Å; L335-F467 HydrophobicContact CG-CE2 3.84Å; L335-F467 HydrophobicContact CG-CZ 4.41Å; L335-Y470 HydrophobicContact CD1-CD1 4.21Å; L335-Y470 HydrophobicContact CD1-CE1 3.85Å; L335-F502 HydrophobicContact CD2-CZ 4.47Å; L335-F564 HydrophobicContact CB-CE1 4.16Å
336	A	51.6	Low	56.6	Low	36 Å²	36	45 Å²	45	30%	0.298	23%	0.233	S	C	.	.	H	α-helix	trans	-71.1	-42	176.5	0	0	0	0	0	112	N332 Y334 W338 Q339	N332-A336 WeakPolarHBondContact O-CA 3.41Å; N332-A336 WeakPolarHBondContact O-CB 3.29Å; N332-A336 PolarHBondContact O-N 2.91Å; Y334-A336 VanDerWaalsContact C-N 3.35Å; Y334-A336 PolarHBondContact O-N 2.95Å; A336-W338 PolarHBondContact O-N 3.15Å; A336-Q339 WeakPolarHBondContact O-CB 3.1Å; A336-Q339 WeakPolarHBondContact O-CG 3.36Å; A336-Q339 PolarHBondContact O-N 3.32Å; A336-Q339 VanDerWaalsContact O-N 3.13Å
337	A	54	Low	59	Low	14 Å²	14	43.7 Å²	43.7	12%	0.116	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-27.4	175.3	0	0	0	0	0	112.1	V177 T333 Y334	V177-A337 HydrophobicContact CG2-CB 3.52Å; T333-A337 WeakPolarHBondContact O-CB 3.48Å; T333-A337 PolarHBondContact O-N 2.78Å; Y334-A337 PolarHBondContact O-N 2.86Å
338	W	61.8	Low	61.3	Low	17 Å²	17	42.2 Å²	42.2	6%	0.064	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-91.9	1.6	-179.7	-55	130.4	0	0	0	115	L174 V177 Y334 L335 A336 N340 T341 L505 L508	L174-W338 HydrophobicContact CD2-CH2 3.91Å; L174-W338 HydrophobicContact CD2-CZ3 4.46Å; V177-W338 HydrophobicContact CB-CZ2 4.45Å; V177-W338 HydrophobicContact CG1-CZ2 4Å; V177-W338 HydrophobicContact CG2-CD2 4.45Å; V177-W338 HydrophobicContact CG2-CH2 4.46Å; V177-W338 HydrophobicContact CG2-CZ2 3.9Å; Y334-W338 AromaticContact CD1-CD1 3.76Å; Y334-W338 AromaticContact CD1-NE1 3.76Å; Y334-W338 AromaticContact CD2-NE1 3.22Å; Y334-W338 AromaticContact CE1-CD1 3.73Å; Y334-W338 AromaticContact CE1-NE1 3.64Å; Y334-W338 AromaticContact CE2-CE2 3.93Å; Y334-W338 HydrophobicContact CE2-CZ2 4.19Å; Y334-W338 AromaticContact CE2-NE1 3.07Å; Y334-W338 AromaticContact CG-CD1 3.9Å; Y334-W338 AromaticContact CG-NE1 3.56Å; Y334-W338 AromaticContact CZ-CD1 3.85Å; Y334-W338 AromaticContact CZ-NE1 3.29Å; Y334-W338 VanDerWaalsContact CZ-NE1 3.29Å; Y334-W338 VanDerWaalsContact O-CG 3.3Å; Y334-W338 PolarHBondContact O-N 3.11Å; Y334-W338 PolarHBondContact O-NE1 3.07Å; L335-W338 PolarHBondContact O-N 3.32Å; A336-W338 PolarHBondContact O-N 3.15Å; W338-N340 PolarHBondContact O-N 3.09Å; W338-T341 HydrophobicContact CB-CG2 4.22Å; W338-T341 WeakPolarHBondContact O-CB 3.24Å; W338-T341 WeakPolarHBondContact O-CG2 2.95Å; W338-T341 PolarHBondContact O-N 3.13Å; W338-T341 PolarHBondContact O-OG1 3.23Å; W338-L505 HydrophobicContact CB-CD1 4.38Å; W338-L505 HydrophobicContact CB-CD2 4.16Å; W338-L505 HydrophobicContact CD2-CD1 3.31Å; W338-L505 HydrophobicContact CD2-CD2 3.53Å; W338-L505 HydrophobicContact CD2-CG 3.72Å; W338-L505 HydrophobicContact CE3-CD1 2.99Å; W338-L505 HydrophobicContact CE3-CD2 4.19Å; W338-L505 HydrophobicContact CE3-CG 3.87Å; W338-L505 HydrophobicContact CG-CD1 3.95Å; W338-L505 HydrophobicContact CG-CD2 3.53Å; W338-L505 HydrophobicContact CG-CG 4.22Å; W338-L505 HydrophobicContact CH2-CD1 3.58Å; W338-L505 HydrophobicContact CH2-CD2 4.47Å; W338-L505 HydrophobicContact CH2-CG 3.8Å; W338-L505 HydrophobicContact CZ2-CD1 3.95Å; W338-L505 HydrophobicContact CZ2-CD2 3.98Å; W338-L505 HydrophobicContact CZ2-CG 3.76Å; W338-L505 HydrophobicContact CZ3-CD1 3.13Å; W338-L505 HydrophobicContact CZ3-CG 3.9Å; W338-L508 HydrophobicContact CH2-CD2 4.3Å; W338-L508 HydrophobicContact CZ3-CD2 4.15Å
339	Q	58.7	Low	63.2	Low	29 Å²	29	44 Å²	44	14%	0.136	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-65.2	-24.6	178.1	-70.3	174.8	-2.1	0	0	113.3	L335 A336 T341 N563	L335-Q339 WeakPolarHBondContact O-CG 3.41Å; L335-Q339 PolarHBondContact O-N 2.96Å; A336-Q339 WeakPolarHBondContact O-CB 3.1Å; A336-Q339 WeakPolarHBondContact O-CG 3.36Å; A336-Q339 PolarHBondContact O-N 3.32Å; A336-Q339 VanDerWaalsContact O-N 3.13Å; Q339-T341 VanDerWaalsContact C-N 3.32Å; Q339-T341 PolarHBondContact O-N 3.08Å; Q339-N563 PolarHBondContact NE2-O 2.87Å; Q339-N563 PolarHBondContact OE1-O 3.36Å
340	N	63.1	Low	65.4	Low	100 Å²	100	40.8 Å²	40.8	54%	0.535	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-92.5	20.2	176.9	-70.3	-29.7	0	0	0	113.4	W338 D342 F343 Y344	W338-N340 PolarHBondContact O-N 3.09Å; N340-D342 PolarHBondContact O-N 3Å; N340-F343 HydrophobicContact CB-CB 4.35Å; N340-F343 WeakPolarHBondContact O-CB 3.32Å; N340-F343 PolarHBondContact O-N 2.86Å; N340-Y344 WeakPolarHBondContact O-CD2 3.02Å
341	T	65.8	Low	67.7	Low	5 Å²	5	41.3 Å²	41.3	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-55.1	-32.5	176.5	34.7	0	0	0	0	113.4	W338 Q339 F343 Y344 W345 D501 L505 K566	W338-T341 HydrophobicContact CB-CG2 4.22Å; W338-T341 WeakPolarHBondContact O-CB 3.24Å; W338-T341 WeakPolarHBondContact O-CG2 2.95Å; W338-T341 PolarHBondContact O-N 3.13Å; W338-T341 PolarHBondContact O-OG1 3.23Å; Q339-T341 VanDerWaalsContact C-N 3.32Å; Q339-T341 PolarHBondContact O-N 3.08Å; T341-F343 VanDerWaalsContact C-N 3.27Å; T341-F343 PolarHBondContact O-N 2.82Å; T341-Y344 PolarHBondContact O-N 3.31Å; T341-W345 WeakPolarHBondContact O-CB 3.39Å; T341-W345 PolarHBondContact O-N 3.2Å; T341-D501 HydrophobicContact CG2-CB 4.39Å; T341-L505 HydrophobicContact CG2-CD1 3.64Å; T341-K566 PolarHBondContact OG1-NZ 3.45Å
342	D	67.4	Low	69.7	Low	85 Å²	85	39.7 Å²	39.7	46%	0.455	21%	0.209	S	C	.	.	H	α-helix	trans	-61.2	-37.2	174.6	-67.8	-22.3	0	0	0	112.2	N340 Y344 S346 K566	N340-D342 PolarHBondContact O-N 3Å; D342-Y344 VanDerWaalsContact C-N 3.28Å; D342-Y344 PolarHBondContact O-N 3.23Å; D342-S346 WeakPolarHBondContact O-CB 3.31Å; D342-S346 PolarHBondContact O-N 2.66Å; D342-K566 VanDerWaalsContact CG-CE 3.44Å; D342-K566 IonicContact OD1-NZ 3.91Å; D342-K566 PolarHBondContact OD1-NZ 3.06Å; D342-K566 WeakPolarHBondContact OD2-CE 3.26Å; D342-K566 IonicContact OD2-NZ 3.53Å; D342-K566 PolarHBondContact OD2-NZ 2.75Å; D342-K566 VanDerWaalsContact OD2-NZ 3.17Å
343	F	73	Confident	71.7	Confident	69 Å²	69	42.3 Å²	42.3	30%	0.303	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-41.2	179.3	176.5	-84.3	0	0	0	111	T166 N340 T341 R347	T166-F343 HydrophobicContact CG2-CE1 4.37Å; N340-F343 HydrophobicContact CB-CB 4.35Å; N340-F343 WeakPolarHBondContact O-CB 3.32Å; N340-F343 PolarHBondContact O-N 2.86Å; T341-F343 VanDerWaalsContact C-N 3.27Å; T341-F343 PolarHBondContact O-N 2.82Å; F343-R347 VanDerWaalsContact CD2-CZ 3.43Å; F343-R347 VanDerWaalsContact CG-NH1 3.27Å; F343-R347 VanDerWaalsContact CZ-CZ 3.41Å; F343-R347 WeakPolarHBondContact O-CD 3.38Å; F343-R347 WeakPolarHBondContact O-CG 3.09Å; F343-R347 PolarHBondContact O-NH1 2.71Å
344	Y	76	Confident	73.8	Confident	17 Å²	17	43.3 Å²	43.3	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-76.6	-50.3	179.5	-62	-63.9	0	0	0	111.5	T166 T169 A170 D173 N340 T341 D342 R347 Y348	T166-Y344 HydrophobicContact CG2-CD1 4.3Å; T169-Y344 WeakPolarHBondContact CB-OH 3.37Å; T169-Y344 PolarHBondContact O-OH 3.43Å; T169-Y344 PolarHBondContact OG1-OH 3.47Å; A170-Y344 HydrophobicContact CB-CD1 4.41Å; A170-Y344 HydrophobicContact CB-CE1 3.76Å; A170-Y344 PolarHBondContact N-OH 3.5Å; D173-Y344 PolarHBondContact OD2-OH 2.93Å; N340-Y344 WeakPolarHBondContact O-CD2 3.02Å; T341-Y344 PolarHBondContact O-N 3.31Å; D342-Y344 VanDerWaalsContact C-N 3.28Å; D342-Y344 PolarHBondContact O-N 3.23Å; Y344-R347 PolarHBondContact O-N 3.34Å; Y344-Y348 VanDerWaalsContact O-CB 3.31Å; Y344-Y348 WeakPolarHBondContact O-CB 3.48Å; Y344-Y348 PolarHBondContact O-N 2.65Å
345	W	76.7	Confident	75.6	Confident	42 Å²	42	42.2 Å²	42.2	16%	0.159	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-48.4	-176.9	175.7	-122.5	0	0	0	112.3	T341 R347 Y348 L349 F428 F432 F504	T341-W345 WeakPolarHBondContact O-CB 3.39Å; T341-W345 PolarHBondContact O-N 3.2Å; W345-R347 VanDerWaalsContact C-N 3.33Å; W345-R347 PolarHBondContact O-N 3.48Å; W345-Y348 HydrophobicContact CE3-CD1 4.17Å; W345-Y348 AromaticContact CZ3-CD1 3.87Å; W345-Y348 HydrophobicContact CZ3-CD1 3.87Å; W345-Y348 HydrophobicContact CZ3-CE1 4.42Å; W345-Y348 PolarHBondContact O-N 3.47Å; W345-L349 HydrophobicContact CH2-CD1 4.48Å; W345-L349 HydrophobicContact CZ2-CD1 3.85Å; W345-L349 WeakPolarHBondContact O-CB 3.48Å; W345-L349 PolarHBondContact O-N 3.47Å; W345-F428 HydrophobicContact CH2-CE1 4.23Å; W345-F432 HydrophobicContact CE3-CE1 4.34Å; W345-F432 HydrophobicContact CE3-CZ 4.28Å; W345-F432 AromaticContact CH2-CD1 3.65Å; W345-F432 HydrophobicContact CH2-CD1 3.65Å; W345-F432 HydrophobicContact CH2-CD2 4.2Å; W345-F432 AromaticContact CH2-CE1 3.2Å; W345-F432 HydrophobicContact CH2-CE1 3.2Å; W345-F432 AromaticContact CH2-CE2 3.81Å; W345-F432 HydrophobicContact CH2-CE2 3.81Å; W345-F432 HydrophobicContact CH2-CG 4.14Å; W345-F432 AromaticContact CH2-CZ 3.3Å; W345-F432 HydrophobicContact CH2-CZ 3.3Å; W345-F432 HydrophobicContact CZ2-CD1 4.21Å; W345-F432 AromaticContact CZ2-CE1 3.99Å; W345-F432 HydrophobicContact CZ2-CE1 3.99Å; W345-F432 HydrophobicContact CZ2-CZ 4.47Å; W345-F432 HydrophobicContact CZ3-CD1 4.32Å; W345-F432 AromaticContact CZ3-CE1 3.42Å; W345-F432 HydrophobicContact CZ3-CE1 3.42Å; W345-F432 VanDerWaalsContact CZ3-CE1 3.42Å; W345-F432 AromaticContact CZ3-CE2 3.92Å; W345-F432 HydrophobicContact CZ3-CE2 3.92Å; W345-F432 AromaticContact CZ3-CZ 3.18Å; W345-F432 HydrophobicContact CZ3-CZ 3.18Å; W345-F504 HydrophobicContact CE3-CB 4.29Å; W345-F504 AromaticContact CE3-CD2 3.48Å; W345-F504 HydrophobicContact CE3-CD2 3.48Å; W345-F504 VanDerWaalsContact CE3-CD2 3.48Å; W345-F504 HydrophobicContact CE3-CE2 4.02Å; W345-F504 HydrophobicContact CE3-CG 4.04Å; W345-F504 AromaticContact CZ3-CD2 3.91Å; W345-F504 HydrophobicContact CZ3-CD2 3.91Å; W345-F504 HydrophobicContact CZ3-CE2 4.5Å
346	S	81.5	Confident	77.4	Confident	65 Å²	65	44.9 Å²	44.9	46%	0.455	24%	0.238	S	C	.	.	H	α-helix	trans	-60.3	-41.8	179.8	177.7	0	0	0	0	112.1	D342 T350	D342-S346 WeakPolarHBondContact O-CB 3.31Å; D342-S346 PolarHBondContact O-N 2.66Å; S346-T350 WeakPolarHBondContact O-CB 3.32Å; S346-T350 PolarHBondContact O-N 2.73Å; S346-T350 PolarHBondContact O-OG1 2.71Å
347	R	84.9	Confident	79.5	Confident	93 Å²	93	46.9 Å²	46.9	35%	0.351	25%	0.246	S	C	.	.	H	α-helix	trans	-69.1	-39.1	176.6	-76.6	175.6	178.4	67.3	4.2	112.4	Y162 T166 F343 Y344 W345 T350 K351	Y162-R347 HydrophobicContact CD2-CB 4.31Å; Y162-R347 HydrophobicContact CE2-CB 4.38Å; T166-R347 HydrophobicContact CG2-CB 4.41Å; F343-R347 VanDerWaalsContact CD2-CZ 3.43Å; F343-R347 VanDerWaalsContact CG-NH1 3.27Å; F343-R347 VanDerWaalsContact CZ-CZ 3.41Å; F343-R347 WeakPolarHBondContact O-CD 3.38Å; F343-R347 WeakPolarHBondContact O-CG 3.09Å; F343-R347 PolarHBondContact O-NH1 2.71Å; Y344-R347 PolarHBondContact O-N 3.34Å; W345-R347 VanDerWaalsContact C-N 3.33Å; W345-R347 PolarHBondContact O-N 3.48Å; R347-T350 PolarHBondContact O-N 2.78Å; R347-K351 WeakPolarHBondContact O-CB 3.28Å; R347-K351 PolarHBondContact O-N 3.31Å
348	Y	85.5	Confident	81.3	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-47.3	176.6	-174.7	-104.8	0	0	0	111.1	F41 I43 Y162 Y344 W345 K351 H352 Y427 F428 F504	F41-Y348 HydrophobicContact CD2-CD2 4.08Å; F41-Y348 AromaticContact CD2-CE2 3.36Å; F41-Y348 HydrophobicContact CD2-CE2 3.36Å; F41-Y348 AromaticContact CD2-CZ 3.6Å; F41-Y348 HydrophobicContact CE2-CD2 4.08Å; F41-Y348 AromaticContact CE2-CE2 3.78Å; F41-Y348 HydrophobicContact CE2-CE2 3.78Å; F41-Y348 AromaticContact CE2-CZ 4Å; F41-Y348 HydrophobicContact CG-CE2 4.41Å; I43-Y348 WeakPolarHBondContact CG2-OH 3.49Å; Y162-Y348 HydrophobicContact CE2-CD2 4.07Å; Y162-Y348 AromaticContact CZ-CD2 3.94Å; Y344-Y348 VanDerWaalsContact O-CB 3.31Å; Y344-Y348 WeakPolarHBondContact O-CB 3.48Å; Y344-Y348 PolarHBondContact O-N 2.65Å; W345-Y348 HydrophobicContact CE3-CD1 4.17Å; W345-Y348 AromaticContact CZ3-CD1 3.87Å; W345-Y348 HydrophobicContact CZ3-CD1 3.87Å; W345-Y348 HydrophobicContact CZ3-CE1 4.42Å; W345-Y348 PolarHBondContact O-N 3.47Å; Y348-K351 WeakPolarHBondContact O-CB 3.47Å; Y348-K351 PolarHBondContact O-N 3.22Å; Y348-H352 AromaticContact CE1-CD2 3.63Å; Y348-H352 AromaticContact CE1-NE2 3.85Å; Y348-H352 AromaticContact CE2-CD2 3.66Å; Y348-H352 AromaticContact CE2-NE2 3.4Å; Y348-H352 WeakPolarHBondContact CE2-NE2 3.49Å; Y348-H352 AromaticContact CZ-CD2 3.44Å; Y348-H352 VanDerWaalsContact CZ-CD2 3.44Å; Y348-H352 AromaticContact CZ-NE2 3.19Å; Y348-H352 PolarHBondContact O-CD2 3.03Å; Y348-H352 PolarHBondContact O-N 3.16Å; Y348-H352 VanDerWaalsContact O-N 3.15Å; Y348-H352 PolarHBondContact OH-NE2 3.01Å; Y348-H352 VanDerWaalsContact OH-NE2 3.14Å; Y348-Y427 HydrophobicContact CE1-CE1 4.17Å; Y348-Y427 VanDerWaalsContact OH-CE1 3.25Å; Y348-Y427 WeakPolarHBondContact OH-CE1 3.28Å; Y348-Y427 PolarHBondContact OH-OH 2.89Å; Y348-F428 HydrophobicContact CE1-CE1 4.36Å; Y348-F428 HydrophobicContact CE1-CZ 4.03Å; Y348-F504 AromaticContact CD1-CE2 3.95Å; Y348-F504 HydrophobicContact CD1-CE2 3.95Å; Y348-F504 AromaticContact CG-CE2 3.95Å; Y348-F504 HydrophobicContact CG-CE2 3.95Å
349	L	86.3	Confident	82.7	Confident	65 Å²	65	49.2 Å²	49.2	34%	0.34	25%	0.254	S	S	.	.	H	α-helix	trans	-63.3	-44.7	176	-177.2	135.9	0	0	0	111.7	W345 K351 H352 I353	W345-L349 HydrophobicContact CH2-CD1 4.48Å; W345-L349 HydrophobicContact CZ2-CD1 3.85Å; W345-L349 WeakPolarHBondContact O-CB 3.48Å; W345-L349 PolarHBondContact O-N 3.47Å; L349-K351 PolarHBondContact O-N 3.07Å; L349-H352 PolarHBondContact O-N 2.81Å; L349-I353 HydrophobicContact CD2-CD1 3.42Å; L349-I353 VanDerWaalsContact CD2-CD1 3.42Å; L349-I353 HydrophobicContact CD2-CG1 4.35Å; L349-I353 HydrophobicContact CG-CD1 4.11Å; L349-I353 WeakPolarHBondContact O-CG1 3.36Å; L349-I353 PolarHBondContact O-N 2.8Å
350	T	88.7	Confident	84.3	Confident	74 Å²	74	49.3 Å²	49.3	45%	0.454	26%	0.263	S	S	.	.	H	α-helix	trans	-59.3	-45.7	177	-58.4	0	0	0	0	111.6	S346 R347 H352 I353 V354	S346-T350 WeakPolarHBondContact O-CB 3.32Å; S346-T350 PolarHBondContact O-N 2.73Å; S346-T350 PolarHBondContact O-OG1 2.71Å; R347-T350 PolarHBondContact O-N 2.78Å; T350-H352 VanDerWaalsContact C-N 3.32Å; T350-H352 PolarHBondContact O-N 2.8Å; T350-I353 PolarHBondContact O-N 2.78Å; T350-V354 WeakPolarHBondContact O-CG2 3.12Å; T350-V354 PolarHBondContact O-N 3.48Å
351	K	91.8	Very high	85.7	Confident	13 Å²	13	48.1 Å²	48.1	6%	0.057	26%	0.262	C	S	.	.	H	α-helix	trans	-55.1	-48.8	176	177.9	-158.2	174.3	-173.6	0	111.1	D44 P158 H159 Y162 R347 Y348 L349 V354 L355	D44-K351 IonicContact OD1-NZ 3.97Å; D44-K351 PolarHBondContact OD1-NZ 2.94Å; D44-K351 IonicContact OD2-NZ 3.83Å; P158-K351 HydrophobicContact CB-CG 4.19Å; H159-K351 PolarHBondContact ND1-NZ 3.5Å; Y162-K351 HydrophobicContact CD1-CD 4.4Å; Y162-K351 HydrophobicContact CD2-CD 4.25Å; Y162-K351 HydrophobicContact CG-CD 3.91Å; R347-K351 WeakPolarHBondContact O-CB 3.28Å; R347-K351 PolarHBondContact O-N 3.31Å; Y348-K351 WeakPolarHBondContact O-CB 3.47Å; Y348-K351 PolarHBondContact O-N 3.22Å; L349-K351 PolarHBondContact O-N 3.07Å; K351-V354 PolarHBondContact O-N 3.41Å; K351-L355 HydrophobicContact CG-CD1 4.24Å; K351-L355 WeakPolarHBondContact O-CG 3.35Å; K351-L355 PolarHBondContact O-N 3.34Å
352	H	91.2	Very high	86.9	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-68.7	-36.7	-178.6	-85.9	-70.1	0	0	0	112.7	D44 Y348 L349 T350 V354 L355 L356 Q424 F428	D44-H352 IonicContact OD1-CE1 3.17Å; D44-H352 IonicContact OD1-NE2 2.71Å; D44-H352 PolarHBondContact OD1-NE2 2.86Å; Y348-H352 AromaticContact CE1-CD2 3.63Å; Y348-H352 AromaticContact CE1-NE2 3.85Å; Y348-H352 AromaticContact CE2-CD2 3.66Å; Y348-H352 AromaticContact CE2-NE2 3.4Å; Y348-H352 WeakPolarHBondContact CE2-NE2 3.49Å; Y348-H352 AromaticContact CZ-CD2 3.44Å; Y348-H352 VanDerWaalsContact CZ-CD2 3.44Å; Y348-H352 AromaticContact CZ-NE2 3.19Å; Y348-H352 PolarHBondContact O-CD2 3.03Å; Y348-H352 PolarHBondContact O-N 3.16Å; Y348-H352 VanDerWaalsContact O-N 3.15Å; Y348-H352 PolarHBondContact OH-NE2 3.01Å; Y348-H352 VanDerWaalsContact OH-NE2 3.14Å; L349-H352 PolarHBondContact O-N 2.81Å; T350-H352 VanDerWaalsContact C-N 3.32Å; T350-H352 PolarHBondContact O-N 2.8Å; H352-V354 VanDerWaalsContact C-N 3.34Å; H352-V354 PolarHBondContact O-N 3.48Å; H352-L355 PolarHBondContact O-N 3.24Å; H352-L356 WeakPolarHBondContact O-CB 3.25Å; H352-L356 PolarHBondContact O-N 2.81Å; H352-Q424 VanDerWaalsContact C-NE2 3.32Å; H352-Q424 PolarHBondContact ND1-NE2 3.02Å; H352-Q424 PolarHBondContact O-NE2 3Å; H352-F428 HydrophobicContact CB-CE2 3.63Å; H352-F428 HydrophobicContact CB-CZ 3.64Å; H352-F428 AromaticContact CD2-CE2 4Å; H352-F428 AromaticContact CD2-CZ 3.74Å; H352-F428 AromaticContact CG-CE2 3.5Å; H352-F428 AromaticContact CG-CZ 3.6Å; H352-F428 AromaticContact ND1-CE2 3.75Å
353	I	91.4	Very high	88	Confident	92 Å²	92	45.9 Å²	45.9	47%	0.472	25%	0.25	S	C	.	.	H	α-helix	trans	-60.8	-45.8	172.2	-70.9	173.3	0	0	0	110.7	L349 T350 L355 L356 V357	L349-I353 HydrophobicContact CD2-CD1 3.42Å; L349-I353 VanDerWaalsContact CD2-CD1 3.42Å; L349-I353 HydrophobicContact CD2-CG1 4.35Å; L349-I353 HydrophobicContact CG-CD1 4.11Å; L349-I353 WeakPolarHBondContact O-CG1 3.36Å; L349-I353 PolarHBondContact O-N 2.8Å; T350-I353 PolarHBondContact O-N 2.78Å; I353-L355 PolarHBondContact O-N 2.99Å; I353-L356 WeakPolarHBondContact O-CB 3.44Å; I353-L356 PolarHBondContact O-N 2.98Å; I353-V357 WeakPolarHBondContact O-CG2 3.22Å; I353-V357 PolarHBondContact O-N 3.22Å
354	V	93.1	Very high	88.8	Confident	53 Å²	53	47.6 Å²	47.6	32%	0.321	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-47.2	178	172.2	0	0	0	0	110.5	P158 T350 K351 H352 L356 V357 F358	P158-V354 HydrophobicContact CG-CG1 3.87Å; T350-V354 WeakPolarHBondContact O-CG2 3.12Å; T350-V354 PolarHBondContact O-N 3.48Å; K351-V354 PolarHBondContact O-N 3.41Å; H352-V354 VanDerWaalsContact C-N 3.34Å; H352-V354 PolarHBondContact O-N 3.48Å; V354-L356 VanDerWaalsContact C-N 3.33Å; V354-L356 PolarHBondContact O-N 3.36Å; V354-V357 PolarHBondContact O-N 2.99Å; V354-F358 HydrophobicContact CG1-CD2 3.65Å; V354-F358 HydrophobicContact CG1-CE2 3.53Å; V354-F358 VanDerWaalsContact O-CD2 3.24Å; V354-F358 WeakPolarHBondContact O-CD2 3.46Å; V354-F358 PolarHBondContact O-N 3.49Å
355	L	91.9	Very high	89.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.7	-41.4	176.1	-71.6	171.8	0	0	0	112.4	L47 M155 P158 K351 H352 I353 V357 F358 H359	L47-L355 HydrophobicContact CD1-CD1 4.4Å; M155-L355 HydrophobicContact CE-CD2 3.76Å; M155-L355 HydrophobicContact SD-CD2 4.47Å; P158-L355 HydrophobicContact CB-CD2 4.24Å; P158-L355 HydrophobicContact CB-CG 4.35Å; P158-L355 HydrophobicContact CG-CD2 4.23Å; K351-L355 HydrophobicContact CG-CD1 4.24Å; K351-L355 WeakPolarHBondContact O-CG 3.35Å; K351-L355 PolarHBondContact O-N 3.34Å; H352-L355 PolarHBondContact O-N 3.24Å; I353-L355 PolarHBondContact O-N 2.99Å; L355-V357 VanDerWaalsContact C-N 3.33Å; L355-V357 PolarHBondContact O-N 2.74Å; L355-F358 PolarHBondContact O-N 3.47Å; L355-H359 WeakPolarHBondContact O-CB 2.93Å; L355-H359 PolarHBondContact O-CD2 3.38Å; L355-H359 VanDerWaalsContact O-CG 3.3Å; L355-H359 PolarHBondContact O-N 3.14Å
356	L	92.1	Very high	89.9	Confident	71 Å²	71	51.4 Å²	51.4	37%	0.372	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-43.3	176.8	-175.6	153.3	0	0	0	111.3	H352 I353 V354 H359 G360 M425	H352-L356 WeakPolarHBondContact O-CB 3.25Å; H352-L356 PolarHBondContact O-N 2.81Å; I353-L356 WeakPolarHBondContact O-CB 3.44Å; I353-L356 PolarHBondContact O-N 2.98Å; V354-L356 VanDerWaalsContact C-N 3.33Å; V354-L356 PolarHBondContact O-N 3.36Å; L356-H359 PolarHBondContact O-N 2.87Å; L356-G360 PolarHBondContact O-N 3.09Å; L356-M425 HydrophobicContact CD1-SD 4.49Å
357	V	93.8	Very high	90.2	Very high	79 Å²	79	55 Å²	55	48%	0.479	29%	0.289	S	S	.	.	H	α-helix	trans	-63.2	-46.6	176.1	173.5	0	0	0	0	110.6	I353 V354 L355 H359 G360 C361	I353-V357 WeakPolarHBondContact O-CG2 3.22Å; I353-V357 PolarHBondContact O-N 3.22Å; V354-V357 PolarHBondContact O-N 2.99Å; L355-V357 VanDerWaalsContact C-N 3.33Å; L355-V357 PolarHBondContact O-N 2.74Å; V357-H359 PolarHBondContact O-N 2.69Å; V357-G360 PolarHBondContact O-N 3.27Å; V357-C361 WeakPolarHBondContact O-CB 3.21Å; V357-C361 PolarHBondContact O-N 3.32Å; V357-C361 PolarHBondContact O-SG 3.09Å
358	F	92.2	Very high	90.2	Very high	79 Å²	79	54.5 Å²	54.5	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-60.5	-44	176.6	-85.2	-74.8	0	0	0	112.4	A154 M155 V354 L355 T362	A154-F358 HydrophobicContact CB-CE1 4.42Å; M155-F358 HydrophobicContact SD-CB 3.59Å; M155-F358 VanDerWaalsContact SD-CB 3.59Å; M155-F358 HydrophobicContact SD-CD1 4.44Å; M155-F358 HydrophobicContact SD-CG 4.06Å; V354-F358 HydrophobicContact CG1-CD2 3.65Å; V354-F358 HydrophobicContact CG1-CE2 3.53Å; V354-F358 VanDerWaalsContact O-CD2 3.24Å; V354-F358 WeakPolarHBondContact O-CD2 3.46Å; V354-F358 PolarHBondContact O-N 3.49Å; L355-F358 PolarHBondContact O-N 3.47Å; F358-T362 WeakPolarHBondContact O-CB 3.45Å; F358-T362 PolarHBondContact O-N 3.4Å; F358-T362 PolarHBondContact O-OG1 3.19Å
359	H	92.4	Very high	90.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-50.6	174.7	-74	-42.7	0	0	0	111.7	T51 M155 L355 L356 V357 C361 T362 I363 N417 L421	T51-H359 VanDerWaalsContact CG2-CE1 3.41Å; T51-H359 WeakPolarHBondContact CG2-CE1 3.44Å; M155-H359 WeakPolarHBondContact CE-CE1 3.46Å; L355-H359 WeakPolarHBondContact O-CB 2.93Å; L355-H359 PolarHBondContact O-CD2 3.38Å; L355-H359 VanDerWaalsContact O-CG 3.3Å; L355-H359 PolarHBondContact O-N 3.14Å; L356-H359 PolarHBondContact O-N 2.87Å; V357-H359 PolarHBondContact O-N 2.69Å; H359-C361 PolarHBondContact O-N 3.44Å; H359-T362 PolarHBondContact O-N 3.46Å; H359-I363 WeakPolarHBondContact O-CB 2.91Å; H359-I363 WeakPolarHBondContact O-CD1 3.4Å; H359-I363 WeakPolarHBondContact O-CG1 3.47Å; H359-I363 PolarHBondContact O-N 3.11Å; H359-N417 PolarHBondContact ND1-OD1 2.84Å; H359-L421 HydrophobicContact CB-CB 4.31Å; H359-L421 HydrophobicContact CB-CD1 4.3Å
360	G	91.8	Very high	89.9	Confident	31 Å²	31	54.3 Å²	54.3	32%	0.32	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-46.6	179.3	0	0	0	0	0	112.7	L356 V357 T362 I363 L364	L356-G360 PolarHBondContact O-N 3.09Å; V357-G360 PolarHBondContact O-N 3.27Å; G360-T362 PolarHBondContact O-N 2.98Å; G360-I363 PolarHBondContact O-N 3.17Å; G360-L364 WeakPolarHBondContact O-CB 3.29Å; G360-L364 PolarHBondContact O-N 3.09Å
361	C	93	Very high	89.5	Confident	75 Å²	75	53.4 Å²	53.4	51%	0.507	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-41	177.1	-72	0	0	0	0	112.1	V357 H359 L364 F365	V357-C361 WeakPolarHBondContact O-CB 3.21Å; V357-C361 PolarHBondContact O-N 3.32Å; V357-C361 PolarHBondContact O-SG 3.09Å; H359-C361 PolarHBondContact O-N 3.44Å; C361-L364 PolarHBondContact O-N 2.9Å; C361-F365 VanDerWaalsContact O-CB 3.26Å; C361-F365 WeakPolarHBondContact O-CB 3Å; C361-F365 PolarHBondContact O-N 3.17Å
362	T	89.5	Confident	89	Confident	17 Å²	17	57.9 Å²	57.9	10%	0.104	32%	0.32	C	S	.	.	H	α-helix	trans	-67.9	-43.6	180	-54.1	0	0	0	0	111.2	Y151 F358 H359 G360 F365 T366 L413 N417	Y151-T362 HydrophobicContact CE2-CG2 3.89Å; Y151-T362 WeakPolarHBondContact CE2-OG1 3.19Å; F358-T362 WeakPolarHBondContact O-CB 3.45Å; F358-T362 PolarHBondContact O-N 3.4Å; F358-T362 PolarHBondContact O-OG1 3.19Å; H359-T362 PolarHBondContact O-N 3.46Å; G360-T362 PolarHBondContact O-N 2.98Å; T362-F365 PolarHBondContact O-N 3.37Å; T362-T366 PolarHBondContact O-N 2.93Å; T362-T366 PolarHBondContact O-OG1 3.08Å; T362-T366 VanDerWaalsContact O-OG1 3.06Å; T362-L413 HydrophobicContact CG2-CD2 4.31Å; T362-L413 HydrophobicContact CG2-CG 4.37Å; T362-N417 WeakPolarHBondContact CG2-ND2 3.47Å
363	I	90.7	Very high	88	Confident	26 Å²	26	59.7 Å²	59.7	13%	0.133	33%	0.327	C	S	.	.	H	α-helix	trans	-59.7	-48.7	175.2	-68.6	164.2	0	0	0	110.2	H359 G360 F365 T366 F367 N417 L418 L421	H359-I363 WeakPolarHBondContact O-CB 2.91Å; H359-I363 WeakPolarHBondContact O-CD1 3.4Å; H359-I363 WeakPolarHBondContact O-CG1 3.47Å; H359-I363 PolarHBondContact O-N 3.11Å; G360-I363 PolarHBondContact O-N 3.17Å; I363-F365 VanDerWaalsContact C-N 3.32Å; I363-F365 PolarHBondContact O-N 3.34Å; I363-T366 PolarHBondContact O-N 2.81Å; I363-F367 HydrophobicContact CG2-CD2 3.62Å; I363-F367 HydrophobicContact CG2-CE2 3.41Å; I363-F367 VanDerWaalsContact CG2-CE2 3.41Å; I363-F367 WeakPolarHBondContact O-CD2 3.27Å; I363-F367 PolarHBondContact O-N 3.09Å; I363-N417 HydrophobicContact CD1-CB 4.21Å; I363-N417 HydrophobicContact CG1-CB 3.8Å; I363-L418 HydrophobicContact CD1-CB 4.34Å; I363-L418 HydrophobicContact CD1-CD1 4.43Å; I363-L421 HydrophobicContact CD1-CD1 4.07Å
364	L	91.6	Very high	87.2	Confident	105 Å²	105	65 Å²	65	55%	0.55	35%	0.346	S	S	.	.	H	α-helix	trans	-59	-44.5	177.8	-178	66.3	0	0	0	111.3	G360 C361 F367 I368	G360-L364 WeakPolarHBondContact O-CB 3.29Å; G360-L364 PolarHBondContact O-N 3.09Å; C361-L364 PolarHBondContact O-N 2.9Å; L364-F367 PolarHBondContact O-N 3.28Å; L364-I368 HydrophobicContact CD1-CD1 4.24Å; L364-I368 HydrophobicContact CD1-CG1 4.5Å; L364-I368 HydrophobicContact CD2-CD1 4.44Å; L364-I368 HydrophobicContact CG-CD1 3.85Å; L364-I368 HydrophobicContact CG-CG1 4.49Å; L364-I368 VanDerWaalsContact O-CG1 3.27Å; L364-I368 WeakPolarHBondContact O-CG1 3.43Å; L364-I368 PolarHBondContact O-N 3.29Å
365	F	88.3	Confident	86	Confident	127 Å²	127	64.7 Å²	64.7	56%	0.557	36%	0.355	S	S	*	.	H	α-helix	trans	-61.7	-45	177.4	-177.4	-105.3	0	0	0	112	C361 T362 I363 F367 I368 I369	C361-F365 VanDerWaalsContact O-CB 3.26Å; C361-F365 WeakPolarHBondContact O-CB 3Å; C361-F365 PolarHBondContact O-N 3.17Å; T362-F365 PolarHBondContact O-N 3.37Å; I363-F365 VanDerWaalsContact C-N 3.32Å; I363-F365 PolarHBondContact O-N 3.34Å; F365-F367 VanDerWaalsContact C-N 3.33Å; F365-F367 PolarHBondContact O-N 2.61Å; F365-I368 PolarHBondContact O-N 3.5Å; F365-I369 HydrophobicContact CD1-CD1 3.7Å; F365-I369 HydrophobicContact CD1-CG1 4.47Å; F365-I369 HydrophobicContact CE1-CD1 3.17Å; F365-I369 HydrophobicContact CE1-CG1 4.22Å; F365-I369 HydrophobicContact CE2-CD1 4.08Å; F365-I369 HydrophobicContact CE2-CG1 4.43Å; F365-I369 HydrophobicContact CG-CD1 4.37Å; F365-I369 HydrophobicContact CZ-CD1 3.4Å; F365-I369 HydrophobicContact CZ-CG1 4.21Å; F365-I369 WeakPolarHBondContact O-CG1 3.38Å; F365-I369 PolarHBondContact O-N 3.42Å
366	T	86.7	Confident	84.8	Confident	12 Å²	12	68.7 Å²	68.7	7%	0.074	38%	0.379	C	S	.	.	H	α-helix	trans	-58.7	-44.3	174.6	-60	0	0	0	0	111.4	T362 I363 I369 I370 I410	T362-T366 PolarHBondContact O-N 2.93Å; T362-T366 PolarHBondContact O-OG1 3.08Å; T362-T366 VanDerWaalsContact O-OG1 3.06Å; I363-T366 PolarHBondContact O-N 2.81Å; T366-I369 PolarHBondContact O-N 2.88Å; T366-I370 HydrophobicContact CG2-CD1 3.73Å; T366-I370 WeakPolarHBondContact O-CD1 3.42Å; T366-I370 WeakPolarHBondContact O-CG1 3.48Å; T366-I370 PolarHBondContact O-N 2.92Å; T366-I410 HydrophobicContact CG2-CG2 3.93Å
367	F	87	Confident	83.5	Confident	141 Å²	141	65.6 Å²	65.6	62%	0.618	36%	0.363	S	S	*	.	H	α-helix	trans	-64.2	-43.2	176.5	-80.9	-63.3	0	0	0	113	I363 L364 F365 I370 G371	I363-F367 HydrophobicContact CG2-CD2 3.62Å; I363-F367 HydrophobicContact CG2-CE2 3.41Å; I363-F367 VanDerWaalsContact CG2-CE2 3.41Å; I363-F367 WeakPolarHBondContact O-CD2 3.27Å; I363-F367 PolarHBondContact O-N 3.09Å; L364-F367 PolarHBondContact O-N 3.28Å; F365-F367 VanDerWaalsContact C-N 3.33Å; F365-F367 PolarHBondContact O-N 2.61Å; F367-I370 PolarHBondContact O-N 2.82Å; F367-G371 PolarHBondContact O-N 2.94Å
368	I	86.4	Confident	82.4	Confident	82 Å²	82	62.1 Å²	62.1	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-47	177.7	-71.5	167.6	0	0	0	110.2	L364 F365 I370 G371 I372	L364-I368 HydrophobicContact CD1-CD1 4.24Å; L364-I368 HydrophobicContact CD1-CG1 4.5Å; L364-I368 HydrophobicContact CD2-CD1 4.44Å; L364-I368 HydrophobicContact CG-CD1 3.85Å; L364-I368 HydrophobicContact CG-CG1 4.49Å; L364-I368 VanDerWaalsContact O-CG1 3.27Å; L364-I368 WeakPolarHBondContact O-CG1 3.43Å; L364-I368 PolarHBondContact O-N 3.29Å; F365-I368 PolarHBondContact O-N 3.5Å; I368-I370 PolarHBondContact O-N 2.86Å; I368-G371 PolarHBondContact O-N 2.88Å; I368-I372 HydrophobicContact CG2-CD1 3.55Å; I368-I372 HydrophobicContact CG2-CG1 4.27Å; I368-I372 WeakPolarHBondContact O-CB 3.46Å; I368-I372 VanDerWaalsContact O-CG1 3.27Å; I368-I372 WeakPolarHBondContact O-CG1 3.4Å; I368-I372 PolarHBondContact O-N 3.31Å
369	I	82.7	Confident	81.1	Confident	20 Å²	20	60.6 Å²	60.6	10%	0.103	34%	0.344	C	S	.	.	H	α-helix	trans	-58.9	-50.1	177.4	-74.1	-178.1	0	0	0	110.7	F365 T366 G371 I372 Y373 P377	F365-I369 HydrophobicContact CD1-CD1 3.7Å; F365-I369 HydrophobicContact CD1-CG1 4.47Å; F365-I369 HydrophobicContact CE1-CD1 3.17Å; F365-I369 HydrophobicContact CE1-CG1 4.22Å; F365-I369 HydrophobicContact CE2-CD1 4.08Å; F365-I369 HydrophobicContact CE2-CG1 4.43Å; F365-I369 HydrophobicContact CG-CD1 4.37Å; F365-I369 HydrophobicContact CZ-CD1 3.4Å; F365-I369 HydrophobicContact CZ-CG1 4.21Å; F365-I369 WeakPolarHBondContact O-CG1 3.38Å; F365-I369 PolarHBondContact O-N 3.42Å; T366-I369 PolarHBondContact O-N 2.88Å; I369-G371 VanDerWaalsContact C-N 3.27Å; I369-G371 PolarHBondContact O-N 2.83Å; I369-I372 PolarHBondContact O-N 2.98Å; I369-Y373 HydrophobicContact CG2-CD2 3.76Å; I369-Y373 HydrophobicContact CG2-CE2 4.04Å; I369-Y373 WeakPolarHBondContact O-CD2 3.24Å; I369-Y373 PolarHBondContact O-N 2.88Å; I369-P377 HydrophobicContact CG2-CB 3.6Å
370	I	82.9	Confident	79.9	Confident	41 Å²	41	63.6 Å²	63.6	21%	0.21	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-39.7	-179.2	-67.8	166	0	0	0	110.9	T366 F367 I368 K374 G375 L411	T366-I370 HydrophobicContact CG2-CD1 3.73Å; T366-I370 WeakPolarHBondContact O-CD1 3.42Å; T366-I370 WeakPolarHBondContact O-CG1 3.48Å; T366-I370 PolarHBondContact O-N 2.92Å; F367-I370 PolarHBondContact O-N 2.82Å; I368-I370 PolarHBondContact O-N 2.86Å; I370-K374 PolarHBondContact O-N 3.21Å; I370-G375 PolarHBondContact O-N 3.25Å; I370-L411 HydrophobicContact CD1-CD2 3.57Å
371	G	80.1	Confident	78.7	Confident	56 Å²	56	67 Å²	67	58%	0.577	37%	0.373	S	S	*	.	H	α-helix	trans	-66.7	-46.4	178.7	0	0	0	0	0	113.2	F367 I368 I369 Y373 K374	F367-G371 PolarHBondContact O-N 2.94Å; I368-G371 PolarHBondContact O-N 2.88Å; I369-G371 VanDerWaalsContact C-N 3.27Å; I369-G371 PolarHBondContact O-N 2.83Å; G371-Y373 VanDerWaalsContact C-N 3.32Å; G371-Y373 PolarHBondContact O-N 3.46Å; G371-K374 PolarHBondContact O-N 3.48Å
372	I	80.4	Confident	77.6	Confident	107 Å²	107	63.8 Å²	63.8	55%	0.549	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-43.3	177.4	-69.2	170	0	0	0	110.3	I368 I369 K374	I368-I372 HydrophobicContact CG2-CD1 3.55Å; I368-I372 HydrophobicContact CG2-CG1 4.27Å; I368-I372 WeakPolarHBondContact O-CB 3.46Å; I368-I372 VanDerWaalsContact O-CG1 3.27Å; I368-I372 WeakPolarHBondContact O-CG1 3.4Å; I368-I372 PolarHBondContact O-N 3.31Å; I369-I372 PolarHBondContact O-N 2.98Å; I372-K374 VanDerWaalsContact C-N 3.34Å; I372-K374 PolarHBondContact O-N 3.3Å
373	Y	71.2	Confident	76.5	Confident	40 Å²	40	65.2 Å²	65.2	16%	0.157	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	22.9	-174.6	-60.2	-62.5	0	0	0	114.7	I137 I369 G371 G375 T376	I137-Y373 HydrophobicContact CD1-CD1 3.89Å; I137-Y373 HydrophobicContact CD1-CE1 3.57Å; I137-Y373 HydrophobicContact CG1-CD1 4.04Å; I137-Y373 HydrophobicContact CG1-CE1 3.36Å; I369-Y373 HydrophobicContact CG2-CD2 3.76Å; I369-Y373 HydrophobicContact CG2-CE2 4.04Å; I369-Y373 WeakPolarHBondContact O-CD2 3.24Å; I369-Y373 PolarHBondContact O-N 2.88Å; G371-Y373 VanDerWaalsContact C-N 3.32Å; G371-Y373 PolarHBondContact O-N 3.46Å; Y373-G375 PolarHBondContact O-N 2.78Å; Y373-T376 VanDerWaalsContact CB-O 3.32Å; Y373-T376 WeakPolarHBondContact CB-O 3.25Å; Y373-T376 PolarHBondContact O-N 3.47Å; Y373-T376 VanDerWaalsContact O-N 3.14Å
374	K	74.2	Confident	75.5	Confident	202 Å²	202	64.3 Å²	64.3	88%	0.878	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	37.2	175.3	-60.2	-177.5	-179.9	175	0	113.7	I370 G371 I372	I370-K374 PolarHBondContact O-N 3.21Å; G371-K374 PolarHBondContact O-N 3.48Å; I372-K374 VanDerWaalsContact C-N 3.34Å; I372-K374 PolarHBondContact O-N 3.3Å
375	G	66.6	Low	74.4	Confident	48 Å²	48	62.3 Å²	62.3	50%	0.495	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.3	-16.1	174.6	0	0	0	0	0	116.8	I370 Y373	I370-G375 PolarHBondContact O-N 3.25Å; Y373-G375 PolarHBondContact O-N 2.78Å
376	T	67.4	Low	73.4	Confident	83 Å²	83	58.2 Å²	58.2	51%	0.509	33%	0.325	S	S	.	.			trans	-124	100.8	178.1	54.1	0	0	0	0	110.7	Y373 F378	Y373-T376 VanDerWaalsContact CB-O 3.32Å; Y373-T376 WeakPolarHBondContact CB-O 3.25Å; Y373-T376 PolarHBondContact O-N 3.47Å; Y373-T376 VanDerWaalsContact O-N 3.14Å; T376-F378 PolarHBondContact O-N 3.07Å; T376-F378 VanDerWaalsContact O-N 3.12Å
377	P	63.9	Low	72.2	Confident	6 Å²	6	63.3 Å²	63.3	4%	0.039	35%	0.352	C	S	.	.	S	Bend	trans	-59	-30.6	-175.3	12.2	-18.1	0	0	0	112.9	I369 N407 I410	I369-P377 HydrophobicContact CG2-CB 3.6Å; P377-N407 WeakPolarHBondContact CD-OD1 3.18Å; P377-N407 HydrophobicContact CG-CB 4.39Å; P377-N407 WeakPolarHBondContact CG-OD1 3.43Å; P377-I410 HydrophobicContact CB-CD1 3.89Å; P377-I410 HydrophobicContact CG-CD1 3.96Å
378	F	71	Confident	70.8	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.026	35%	0.345	C	S	.	.	S	Bend	trans	-121.4	130.7	177.3	-62.7	-74.5	0	0	0	112.7	I137 Q140 H141 T376 T403 V406 N407 I410	I137-F378 HydrophobicContact CG2-CD1 4.35Å; I137-F378 WeakPolarHBondContact O-CD1 3.47Å; Q140-F378 HydrophobicContact CB-CD1 4.36Å; Q140-F378 HydrophobicContact CB-CE1 3.24Å; Q140-F378 HydrophobicContact CB-CZ 3.72Å; H141-F378 HydrophobicContact CB-CD1 4.08Å; H141-F378 HydrophobicContact CB-CE1 4.07Å; T376-F378 PolarHBondContact O-N 3.07Å; T376-F378 VanDerWaalsContact O-N 3.12Å; F378-T403 HydrophobicContact CB-CG2 3.7Å; F378-T403 WeakPolarHBondContact O-CG2 3.43Å; F378-V406 HydrophobicContact CD2-CB 4.37Å; F378-V406 HydrophobicContact CD2-CG1 3.49Å; F378-V406 VanDerWaalsContact CD2-CG1 3.49Å; F378-V406 HydrophobicContact CE2-CG1 3.26Å; F378-V406 HydrophobicContact CG-CG1 4.4Å; F378-V406 HydrophobicContact CZ-CG1 4.03Å; F378-N407 VanDerWaalsContact CB-OD1 3.31Å; F378-N407 WeakPolarHBondContact CB-OD1 3.44Å; F378-N407 VanDerWaalsContact CD2-OD1 3.22Å; F378-N407 WeakPolarHBondContact CD2-OD1 3.4Å; F378-N407 PolarHBondContact N-OD1 2.85Å; F378-N407 PolarHBondContact O-ND2 3.29Å; F378-I410 HydrophobicContact CD2-CD1 4.06Å; F378-I410 HydrophobicContact CE2-CD1 3.29Å; F378-I410 HydrophobicContact CE2-CG1 4.31Å; F378-I410 HydrophobicContact CZ-CD1 4.09Å
379	A	65.7	Low	69.2	Low	48 Å²	48	65.9 Å²	65.9	40%	0.397	37%	0.37	S	S	.	.			trans	-82.1	132.3	171	0	0	0	0	0	110.4	I137 L381	I137-A379 HydrophobicContact CG2-CB 4.16Å; A379-L381 PolarHBondContact O-N 3.45Å
380	P	66.3	Low	67.6	Low	62 Å²	62	72.3 Å²	72.3	40%	0.403	40%	0.399	S	S	.	.	S	Bend	trans	-79.4	-15.4	-173.7	29.4	-34.5	0	0	0	114.3	M399 L400 T403	P380-M399 CarbonylContact O-C 3.53Å; P380-M399 VanDerWaalsContact O-CA 3.28Å; P380-M399 WeakPolarHBondContact O-CA 3.49Å; P380-L400 PolarHBondContact O-N 3.4Å; P380-T403 HydrophobicContact CB-CG2 4.06Å
381	L	67.8	Low	66.3	Low	102 Å²	102	76 Å²	76	53%	0.534	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136	-169.4	-67.2	167.3	0	0	0	111.4	A379 I397 C398 M399	A379-L381 PolarHBondContact O-N 3.45Å; L381-I397 HydrophobicContact CD2-CG2 4.18Å; L381-C398 WeakPolarHBondContact CA-O 3.39Å; L381-M399 HydrophobicContact CD2-CB 4.16Å; L381-M399 HydrophobicContact CD2-CE 4.43Å; L381-M399 HydrophobicContact CD2-CG 4.49Å
382	F	69.6	Low	65.1	Low	8 Å²	8	78.4 Å²	78.4	4%	0.035	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	156	170.5	72	-80.7	0	0	0	111.7	T72 L101 R138 C384 C398 L400	T72-F382 HydrophobicContact CG2-CE1 3.49Å; T72-F382 VanDerWaalsContact CG2-CE1 3.49Å; T72-F382 HydrophobicContact CG2-CZ 3.39Å; L101-F382 HydrophobicContact CD1-CD2 4.27Å; L101-F382 HydrophobicContact CD1-CE2 4.33Å; L101-F382 HydrophobicContact CD2-CE1 4.37Å; L101-F382 HydrophobicContact CD2-CE2 4.35Å; L101-F382 HydrophobicContact CD2-CZ 4.13Å; R138-F382 VanDerWaalsContact NH2-CB 3.34Å; F382-C384 HydrophobicContact CE2-CB 4.21Å; F382-C398 HydrophobicContact CD1-CB 3.68Å; F382-C398 WeakPolarHBondContact CD1-O 3.5Å; F382-C398 HydrophobicContact CD2-CB 3.96Å; F382-C398 HydrophobicContact CE1-CB 3.25Å; F382-C398 HydrophobicContact CE2-CB 3.55Å; F382-C398 HydrophobicContact CG-CB 4.02Å; F382-C398 HydrophobicContact CZ-CB 3.16Å; F382-C398 PolarHBondContact N-O 2.84Å; F382-C398 PolarHBondContact O-N 3.16Å; F382-L400 HydrophobicContact CD1-CD1 3.42Å; F382-L400 VanDerWaalsContact CD1-CD1 3.42Å; F382-L400 HydrophobicContact CD1-CG 4.18Å; F382-L400 HydrophobicContact CE1-CD1 3.81Å; F382-L400 HydrophobicContact CE1-CG 4.04Å; F382-L400 HydrophobicContact CG-CD1 4.47Å
383	L	66.9	Low	64.2	Low	48 Å²	48	76.2 Å²	76.2	25%	0.251	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.3	176.5	-70.3	170.3	0	0	0	109.2	L113 F117 L395 F396 I397	L113-L383 HydrophobicContact CD1-CD1 3.74Å; F117-L383 HydrophobicContact CD2-CD1 4.42Å; F117-L383 HydrophobicContact CE1-CD1 4.42Å; F117-L383 HydrophobicContact CE2-CD1 4.14Å; F117-L383 HydrophobicContact CZ-CD1 4.13Å; L383-L395 HydrophobicContact CD2-CD2 3.7Å; L383-L395 HydrophobicContact CD2-CG 4.41Å; L383-F396 WeakPolarHBondContact CA-O 3.27Å; L383-I397 HydrophobicContact CD2-CB 4.36Å; L383-I397 HydrophobicContact CD2-CG1 3.66Å
384	C	68.6	Low	63.9	Low	7 Å²	7	79.2 Å²	79.2	5%	0.047	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.7	176.3	179.5	0	0	0	0	109	C97 F382 F396 C398	C97-C384 VanDerWaalsContact CA-SG 3.56Å; C97-C384 HydrophobicContact CB-CB 3.85Å; C97-C384 WeakPolarHBondContact CB-SG 3.34Å; C97-C384 WeakPolarHBondContact SG-CB 3.37Å; C97-C384 CovalentContact SG-SG 2.05Å; C97-C384 PolarHBondContact SG-SG 2.95Å; F382-C384 HydrophobicContact CE2-CB 4.21Å; C384-F396 HydrophobicContact CB-CB 4.34Å; C384-F396 PolarHBondContact N-O 3.26Å; C384-F396 PolarHBondContact O-N 2.73Å; C384-C398 VanDerWaalsContact CB-SG 3.55Å
385	Q	69	Low	63.6	Low	63 Å²	63	71 Å²	71	29%	0.294	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	114.8	175.7	-176.5	-177.7	-24.8	0	0	108.6	N387 P393	Q385-N387 PolarHBondContact NE2-OD1 3.25Å; Q385-P393 HydrophobicContact CG-CB 3.81Å; Q385-P393 VanDerWaalsContact NE2-CG 3.35Å
386	I	66.5	Low	63.6	Low	40 Å²	40	69 Å²	69	21%	0.205	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114	173.6	-58.2	179.4	0	0	0	107.2	I93 E388 K394 F396	I93-I386 HydrophobicContact CG2-CD1 3.93Å; I386-E388 PolarHBondContact O-N 3.1Å; I386-E388 VanDerWaalsContact O-N 3.13Å; I386-K394 PolarHBondContact N-O 3.44Å; I386-F396 HydrophobicContact CB-CE2 4.14Å; I386-F396 HydrophobicContact CD1-CD2 4.16Å; I386-F396 HydrophobicContact CD1-CE2 3.89Å; I386-F396 HydrophobicContact CG1-CD2 4.18Å; I386-F396 HydrophobicContact CG1-CE2 4.09Å
387	N	61.9	Low	63.9	Low	120 Å²	120	68.3 Å²	68.3	64%	0.642	37%	0.374	S	S	*	.			trans	-76.7	97.2	172.2	-73.6	-11	0	0	0	108.3	Q385	Q385-N387 PolarHBondContact NE2-OD1 3.25Å
388	E	58.5	Low	64.2	Low	99 Å²	99	68 Å²	68	46%	0.463	37%	0.372	S	S	.	.			trans	-68.7	150.6	160.4	-77.9	176.8	179.6	0	0	108.9	I386 Q390 K394	I386-E388 PolarHBondContact O-N 3.1Å; I386-E388 VanDerWaalsContact O-N 3.13Å; E388-Q390 PolarHBondContact O-N 3.37Å; E388-K394 VanDerWaalsContact CD-NZ 3.34Å; E388-K394 IonicContact OE1-NZ 3.1Å; E388-K394 PolarHBondContact OE1-NZ 3.09Å; E388-K394 VanDerWaalsContact OE1-NZ 3.1Å; E388-K394 WeakPolarHBondContact OE2-CE 3.46Å; E388-K394 IonicContact OE2-NZ 2.78Å; E388-K394 PolarHBondContact OE2-NZ 3.34Å
389	N	52	Low	64.5	Low	177 Å²	177	72.6 Å²	72.6	95%	0.947	40%	0.395	S	S	*	.	S	Bend	trans	-59.4	-4.2	178.6	-74.3	-19.3	0	0	0	113.8
390	Q	48.2	Very low	65	Low	155 Å²	155	70.7 Å²	70.7	72%	0.724	38%	0.378	S	S	*	.	S	Bend	trans	-117.7	122.2	173.3	-70.5	-178.5	-11.2	0	0	110.3	E388	E388-Q390 PolarHBondContact O-N 3.37Å
391	P	56.2	Low	65.5	Low	118 Å²	118	70.9 Å²	70.9	77%	0.766	37%	0.373	S	S	*	.	S	Bend	trans	-67.9	146.6	168.7	28.2	-31.6	0	0	0	110.3
392	P	55.1	Low	66.1	Low	108 Å²	108	66.1 Å²	66.1	70%	0.701	35%	0.348	S	S	*	.	S	Bend	cis	-86.3	149.6	10.5	33.2	-34	0	0	0	113.8	K394	P392-K394 PolarHBondContact O-N 3.4Å
393	P	62.2	Low	66.6	Low	61 Å²	61	66 Å²	66	40%	0.396	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-61	131.3	174.2	27.6	-34.4	0	0	0	110.4	Q385	Q385-P393 HydrophobicContact CG-CB 3.81Å; Q385-P393 VanDerWaalsContact NE2-CG 3.35Å
394	K	65.1	Low	67.4	Low	103 Å²	103	70.5 Å²	70.5	45%	0.448	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.9	175.6	-69.8	176.3	-174.7	151.6	0	109.4	I386 E388 P392 F396	I386-K394 PolarHBondContact N-O 3.44Å; E388-K394 VanDerWaalsContact CD-NZ 3.34Å; E388-K394 IonicContact OE1-NZ 3.1Å; E388-K394 PolarHBondContact OE1-NZ 3.09Å; E388-K394 VanDerWaalsContact OE1-NZ 3.1Å; E388-K394 WeakPolarHBondContact OE2-CE 3.46Å; E388-K394 IonicContact OE2-NZ 2.78Å; E388-K394 PolarHBondContact OE2-NZ 3.34Å; P392-K394 PolarHBondContact O-N 3.4Å; K394-F396 HydrophobicContact CB-CE2 3.71Å; K394-F396 HydrophobicContact CB-CZ 4.03Å; K394-F396 HydrophobicContact CD-CZ 4.49Å
395	L	66.5	Low	68.2	Low	29 Å²	29	73.9 Å²	73.9	15%	0.152	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.7	176.3	-166.2	114.3	0	0	0	109.5	D77 P114 F117 L383	D77-L395 HydrophobicContact CB-CD2 4.02Å; D77-L395 WeakPolarHBondContact CB-O 3.42Å; D77-L395 PolarHBondContact N-O 2.87Å; P114-L395 HydrophobicContact CG-CD1 4.3Å; F117-L395 HydrophobicContact CD2-CD1 4.47Å; F117-L395 HydrophobicContact CE2-CD1 3.84Å; F117-L395 HydrophobicContact CE2-CD2 3.38Å; F117-L395 HydrophobicContact CE2-CG 4.24Å; F117-L395 HydrophobicContact CZ-CD2 3.63Å; L383-L395 HydrophobicContact CD2-CD2 3.7Å; L383-L395 HydrophobicContact CD2-CG 4.41Å
396	F	68	Low	69	Low	6 Å²	6	70.9 Å²	70.9	3%	0.026	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134	178.5	-63.4	-89.9	0	0	0	109.7	C74 L75 P76 I93 L383 C384 I386 K394	C74-F396 HydrophobicContact CB-CB 4.22Å; L75-F396 CarbonylContact O-C 3.6Å; L75-F396 WeakPolarHBondContact O-CA 3.42Å; P76-F396 HydrophobicContact CB-CD1 4.02Å; P76-F396 HydrophobicContact CB-CE1 3.81Å; I93-F396 HydrophobicContact CD1-CE1 4.14Å; I93-F396 HydrophobicContact CD1-CZ 4.25Å; I93-F396 HydrophobicContact CG2-CD1 4.02Å; I93-F396 HydrophobicContact CG2-CE1 3.92Å; I93-F396 HydrophobicContact CG2-CG 4.38Å; I93-F396 HydrophobicContact CG2-CZ 4.18Å; L383-F396 WeakPolarHBondContact CA-O 3.27Å; C384-F396 HydrophobicContact CB-CB 4.34Å; C384-F396 PolarHBondContact N-O 3.26Å; C384-F396 PolarHBondContact O-N 2.73Å; I386-F396 HydrophobicContact CB-CE2 4.14Å; I386-F396 HydrophobicContact CD1-CD2 4.16Å; I386-F396 HydrophobicContact CD1-CE2 3.89Å; I386-F396 HydrophobicContact CG1-CD2 4.18Å; I386-F396 HydrophobicContact CG1-CE2 4.09Å; K394-F396 HydrophobicContact CB-CE2 3.71Å; K394-F396 HydrophobicContact CB-CZ 4.03Å; K394-F396 HydrophobicContact CD-CZ 4.49Å
397	I	72.5	Confident	69.9	Low	69 Å²	69	70.1 Å²	70.1	35%	0.354	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	114.3	168.3	-58.4	170.3	0	0	0	106.6	L75 D77 L381 L383	L75-I397 PolarHBondContact N-O 2.91Å; L75-I397 PolarHBondContact O-N 2.77Å; D77-I397 HydrophobicContact CB-CD1 4.45Å; D77-I397 HydrophobicContact CB-CG1 4.45Å; L381-I397 HydrophobicContact CD2-CG2 4.18Å; L383-I397 HydrophobicContact CD2-CB 4.36Å; L383-I397 HydrophobicContact CD2-CG1 3.66Å
398	C	71.1	Confident	71.1	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.4	-178.7	-57.6	0	0	0	0	111	R73 C74 L381 F382 C384	R73-C398 CarbonylContact O-C 3.51Å; R73-C398 VanDerWaalsContact O-CA 3.28Å; R73-C398 WeakPolarHBondContact O-CA 3.13Å; C74-C398 HydrophobicContact CB-CB 4.13Å; C74-C398 WeakPolarHBondContact CB-SG 3.19Å; C74-C398 WeakPolarHBondContact SG-CB 3.12Å; C74-C398 CovalentContact SG-SG 2.04Å; C74-C398 PolarHBondContact SG-SG 3.31Å; L381-C398 WeakPolarHBondContact CA-O 3.39Å; F382-C398 HydrophobicContact CD1-CB 3.68Å; F382-C398 WeakPolarHBondContact CD1-O 3.5Å; F382-C398 HydrophobicContact CD2-CB 3.96Å; F382-C398 HydrophobicContact CE1-CB 3.25Å; F382-C398 HydrophobicContact CE2-CB 3.55Å; F382-C398 HydrophobicContact CG-CB 4.02Å; F382-C398 HydrophobicContact CZ-CB 3.16Å; F382-C398 PolarHBondContact N-O 2.84Å; F382-C398 PolarHBondContact O-N 3.16Å; C384-C398 VanDerWaalsContact CB-SG 3.55Å
399	M	76.7	Confident	72.6	Confident	102 Å²	102	64.6 Å²	64.6	50%	0.502	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.8	172.7	-177.5	-173.5	-76.6	0	0	109.6	R73 P380 L381 Q401	R73-M399 PolarHBondContact N-O 2.89Å; R73-M399 PolarHBondContact O-N 3.09Å; P380-M399 CarbonylContact O-C 3.53Å; P380-M399 VanDerWaalsContact O-CA 3.28Å; P380-M399 WeakPolarHBondContact O-CA 3.49Å; L381-M399 HydrophobicContact CD2-CB 4.16Å; L381-M399 HydrophobicContact CD2-CE 4.43Å; L381-M399 HydrophobicContact CD2-CG 4.49Å; M399-Q401 PolarHBondContact O-N 2.89Å
400	L	76.4	Confident	74.3	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.042	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	111	167.4	-74.9	107.7	0	0	0	109.3	V71 H141 P380 F382 T402 T403	V71-L400 HydrophobicContact CG1-CD2 4.11Å; V71-L400 WeakPolarHBondContact O-CA 3.48Å; H141-L400 HydrophobicContact CB-CD2 3.97Å; H141-L400 VanDerWaalsContact CG-CD2 3.5Å; H141-L400 VanDerWaalsContact ND1-CD2 3.3Å; H141-L400 WeakPolarHBondContact ND1-CD2 3.28Å; P380-L400 PolarHBondContact O-N 3.4Å; F382-L400 HydrophobicContact CD1-CD1 3.42Å; F382-L400 VanDerWaalsContact CD1-CD1 3.42Å; F382-L400 HydrophobicContact CD1-CG 4.18Å; F382-L400 HydrophobicContact CE1-CD1 3.81Å; F382-L400 HydrophobicContact CE1-CG 4.04Å; F382-L400 HydrophobicContact CG-CD1 4.47Å; L400-T402 VanDerWaalsContact C-N 3.27Å; L400-T402 PolarHBondContact O-N 3.42Å; L400-T403 WeakPolarHBondContact CB-OG1 3.35Å; L400-T403 PolarHBondContact O-N 3.19Å; L400-T403 PolarHBondContact O-OG1 2.69Å
401	Q	77.1	Confident	76.3	Confident	66 Å²	66	53.4 Å²	53.4	31%	0.308	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.7	-169.1	-61.9	-171.5	14.7	0	0	113.2	L69 V71 R73 M399	L69-Q401 PolarHBondContact O-NE2 3.4Å; L69-Q401 PolarHBondContact O-OE1 2.9Å; V71-Q401 PolarHBondContact O-N 2.91Å; R73-Q401 HydrophobicContact CB-CG 4.06Å; M399-Q401 PolarHBondContact O-N 2.89Å
402	T	80.2	Confident	77.9	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	7.9	-172.4	58.8	0	0	0	0	114	L65 H66 H141 L400 F404 I405 V406	L65-T402 HydrophobicContact CD2-CG2 3.46Å; L65-T402 VanDerWaalsContact CD2-CG2 3.46Å; L65-T402 HydrophobicContact CG-CG2 3.84Å; H66-T402 PolarHBondContact CD2-OG1 3.41Å; H66-T402 PolarHBondContact NE2-OG1 3.42Å; H141-T402 PolarHBondContact CE1-OG1 3.05Å; H141-T402 PolarHBondContact NE2-OG1 2.63Å; H141-T402 VanDerWaalsContact NE2-OG1 3.17Å; L400-T402 VanDerWaalsContact C-N 3.27Å; L400-T402 PolarHBondContact O-N 3.42Å; T402-F404 VanDerWaalsContact C-N 3.3Å; T402-F404 PolarHBondContact O-N 3.35Å; T402-I405 PolarHBondContact O-N 3.34Å; T402-V406 WeakPolarHBondContact O-CG2 3.36Å; T402-V406 PolarHBondContact O-N 3.06Å
403	T	79.9	Confident	79.6	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.043	23%	0.228	C	C	.	.	H	α-helix	trans	-52.9	-43.8	-176.5	-52.9	0	0	0	0	113.2	F378 P380 L400 I405 V406 N407	F378-T403 HydrophobicContact CB-CG2 3.7Å; F378-T403 WeakPolarHBondContact O-CG2 3.43Å; P380-T403 HydrophobicContact CB-CG2 4.06Å; L400-T403 WeakPolarHBondContact CB-OG1 3.35Å; L400-T403 PolarHBondContact O-N 3.19Å; L400-T403 PolarHBondContact O-OG1 2.69Å; T403-I405 PolarHBondContact O-N 3.37Å; T403-V406 PolarHBondContact O-N 3.06Å; T403-N407 WeakPolarHBondContact O-CB 3.49Å; T403-N407 PolarHBondContact O-N 3.04Å
404	F	82.8	Confident	81	Confident	142 Å²	142	42.8 Å²	42.8	62%	0.623	22%	0.215	S	C	*	.	H	α-helix	trans	-60.5	-44.9	178.4	176.5	-99.1	0	0	0	112.1	T402 N407 M408	T402-F404 VanDerWaalsContact C-N 3.3Å; T402-F404 PolarHBondContact O-N 3.35Å; F404-N407 PolarHBondContact O-N 3.42Å; F404-M408 HydrophobicContact CD1-CG 4.36Å; F404-M408 HydrophobicContact CD2-CE 4.44Å; F404-M408 HydrophobicContact CE1-CG 3.96Å; F404-M408 HydrophobicContact CE2-CE 3.5Å; F404-M408 VanDerWaalsContact CE2-CE 3.5Å; F404-M408 HydrophobicContact CE2-CG 4.21Å; F404-M408 HydrophobicContact CZ-CE 3.56Å; F404-M408 HydrophobicContact CZ-CG 3.88Å; F404-M408 WeakPolarHBondContact O-CB 3.42Å; F404-M408 WeakPolarHBondContact O-CG 3.37Å; F404-M408 PolarHBondContact O-N 3.45Å
405	I	85.8	Confident	82.3	Confident	78 Å²	78	44.3 Å²	44.3	40%	0.4	22%	0.222	S	C	.	.	H	α-helix	trans	-68.9	-39	-178.2	-60.2	169	0	0	0	110.2	L62 L65 T402 T403 M408 S409	L62-I405 HydrophobicContact CD2-CG2 3.72Å; L65-I405 HydrophobicContact CD2-CD1 3.42Å; L65-I405 VanDerWaalsContact CD2-CD1 3.42Å; T402-I405 PolarHBondContact O-N 3.34Å; T403-I405 PolarHBondContact O-N 3.37Å; I405-M408 PolarHBondContact O-N 2.95Å; I405-S409 WeakPolarHBondContact O-CB 3.24Å; I405-S409 PolarHBondContact O-N 3.45Å
406	V	85.4	Confident	83.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-46	175.6	176.4	0	0	0	0	110.9	L62 Y144 F378 T402 T403 M408 S409 I410	L62-V406 HydrophobicContact CD2-CG2 4.09Å; Y144-V406 HydrophobicContact CD1-CG1 3.7Å; Y144-V406 HydrophobicContact CE1-CG1 4.14Å; Y144-V406 HydrophobicContact CG-CG1 3.92Å; F378-V406 HydrophobicContact CD2-CB 4.37Å; F378-V406 HydrophobicContact CD2-CG1 3.49Å; F378-V406 VanDerWaalsContact CD2-CG1 3.49Å; F378-V406 HydrophobicContact CE2-CG1 3.26Å; F378-V406 HydrophobicContact CG-CG1 4.4Å; F378-V406 HydrophobicContact CZ-CG1 4.03Å; T402-V406 WeakPolarHBondContact O-CG2 3.36Å; T402-V406 PolarHBondContact O-N 3.06Å; T403-V406 PolarHBondContact O-N 3.06Å; V406-M408 VanDerWaalsContact C-N 3.34Å; V406-M408 PolarHBondContact O-N 2.87Å; V406-S409 WeakPolarHBondContact O-CB 3.35Å; V406-S409 PolarHBondContact O-N 3.47Å; V406-S409 VanDerWaalsContact O-N 3.11Å; V406-I410 PolarHBondContact O-N 2.84Å
407	N	85.5	Confident	84.7	Confident	23 Å²	23	43.6 Å²	43.6	12%	0.123	22%	0.219	C	C	.	.	H	α-helix	trans	-58	-45.1	174.2	-75.9	-20.4	0	0	0	111.6	P377 F378 T403 F404 S409 I410 L411	P377-N407 WeakPolarHBondContact CD-OD1 3.18Å; P377-N407 HydrophobicContact CG-CB 4.39Å; P377-N407 WeakPolarHBondContact CG-OD1 3.43Å; F378-N407 VanDerWaalsContact CB-OD1 3.31Å; F378-N407 WeakPolarHBondContact CB-OD1 3.44Å; F378-N407 VanDerWaalsContact CD2-OD1 3.22Å; F378-N407 WeakPolarHBondContact CD2-OD1 3.4Å; F378-N407 PolarHBondContact N-OD1 2.85Å; F378-N407 PolarHBondContact O-ND2 3.29Å; T403-N407 WeakPolarHBondContact O-CB 3.49Å; T403-N407 PolarHBondContact O-N 3.04Å; F404-N407 PolarHBondContact O-N 3.42Å; N407-S409 VanDerWaalsContact C-N 3.31Å; N407-S409 PolarHBondContact O-N 3.35Å; N407-I410 PolarHBondContact O-N 3.49Å; N407-L411 PolarHBondContact O-N 2.89Å
408	M	88.2	Confident	85.7	Confident	95 Å²	95	44.1 Å²	44.1	47%	0.468	22%	0.221	S	C	.	.	H	α-helix	trans	-65.5	-34.3	175.8	-73.7	-62.1	170.7	0	0	112.4	F404 I405 V406 L411 S412	F404-M408 HydrophobicContact CD1-CG 4.36Å; F404-M408 HydrophobicContact CD2-CE 4.44Å; F404-M408 HydrophobicContact CE1-CG 3.96Å; F404-M408 HydrophobicContact CE2-CE 3.5Å; F404-M408 VanDerWaalsContact CE2-CE 3.5Å; F404-M408 HydrophobicContact CE2-CG 4.21Å; F404-M408 HydrophobicContact CZ-CE 3.56Å; F404-M408 HydrophobicContact CZ-CG 3.88Å; F404-M408 WeakPolarHBondContact O-CB 3.42Å; F404-M408 WeakPolarHBondContact O-CG 3.37Å; F404-M408 PolarHBondContact O-N 3.45Å; I405-M408 PolarHBondContact O-N 2.95Å; V406-M408 VanDerWaalsContact C-N 3.34Å; V406-M408 PolarHBondContact O-N 2.87Å; M408-L411 PolarHBondContact O-N 3.3Å; M408-L411 HydrophobicContact SD-CD1 4.26Å; M408-S412 VanDerWaalsContact O-CB 3.31Å; M408-S412 WeakPolarHBondContact O-CB 3.45Å; M408-S412 PolarHBondContact O-N 2.96Å
409	S	90	Very high	86.7	Confident	9 Å²	9	46 Å²	46	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-41.5	175.5	177.3	0	0	0	0	111.5	Q58 Y144 I405 V406 N407 L411 S412 L413	Q58-S409 PolarHBondContact OE1-OG 2.91Å; Y144-S409 VanDerWaalsContact CE1-OG 3.3Å; Y144-S409 WeakPolarHBondContact CE1-OG 3.27Å; Y144-S409 WeakPolarHBondContact OH-CB 3.2Å; Y144-S409 PolarHBondContact OH-O 2.94Å; Y144-S409 PolarHBondContact OH-OG 3.32Å; I405-S409 WeakPolarHBondContact O-CB 3.24Å; I405-S409 PolarHBondContact O-N 3.45Å; V406-S409 WeakPolarHBondContact O-CB 3.35Å; V406-S409 PolarHBondContact O-N 3.47Å; V406-S409 VanDerWaalsContact O-N 3.11Å; N407-S409 VanDerWaalsContact C-N 3.31Å; N407-S409 PolarHBondContact O-N 3.35Å; S409-L411 VanDerWaalsContact C-N 3.35Å; S409-L411 PolarHBondContact O-N 2.86Å; S409-S412 WeakPolarHBondContact CA-OG 3.35Å; S409-S412 PolarHBondContact O-N 2.9Å; S409-S412 PolarHBondContact O-OG 3.34Å; S409-L413 WeakPolarHBondContact O-CB 3.3Å; S409-L413 PolarHBondContact O-N 2.92Å
410	I	87.9	Confident	87.4	Confident	13 Å²	13	41.1 Å²	41.1	7%	0.067	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-46.7	175	-72.3	-177.1	0	0	0	110.9	Y144 T366 P377 F378 V406 N407 S412 L413 G414	Y144-I410 HydrophobicContact CD2-CG1 4.32Å; Y144-I410 HydrophobicContact CE2-CD1 4.08Å; Y144-I410 HydrophobicContact CE2-CG1 3.46Å; Y144-I410 VanDerWaalsContact CE2-CG1 3.46Å; Y144-I410 PolarHBondContact OH-N 3.3Å; T366-I410 HydrophobicContact CG2-CG2 3.93Å; P377-I410 HydrophobicContact CB-CD1 3.89Å; P377-I410 HydrophobicContact CG-CD1 3.96Å; F378-I410 HydrophobicContact CD2-CD1 4.06Å; F378-I410 HydrophobicContact CE2-CD1 3.29Å; F378-I410 HydrophobicContact CE2-CG1 4.31Å; F378-I410 HydrophobicContact CZ-CD1 4.09Å; V406-I410 PolarHBondContact O-N 2.84Å; N407-I410 PolarHBondContact O-N 3.49Å; I410-S412 VanDerWaalsContact C-N 3.32Å; I410-S412 PolarHBondContact O-N 3.41Å; I410-L413 WeakPolarHBondContact O-CB 3.3Å; I410-L413 PolarHBondContact O-N 3.06Å; I410-G414 PolarHBondContact O-N 3.39Å
411	L	88.9	Confident	88.2	Confident	84 Å²	84	42.8 Å²	42.8	44%	0.44	22%	0.218	S	C	.	.	H	α-helix	trans	-63.2	-41.2	177.4	-70.2	171.8	0	0	0	111.3	I370 N407 M408 S409 L413 G414 F415	I370-L411 HydrophobicContact CD1-CD2 3.57Å; N407-L411 PolarHBondContact O-N 2.89Å; M408-L411 PolarHBondContact O-N 3.3Å; M408-L411 HydrophobicContact SD-CD1 4.26Å; S409-L411 VanDerWaalsContact C-N 3.35Å; S409-L411 PolarHBondContact O-N 2.86Å; L411-L413 VanDerWaalsContact C-N 3.31Å; L411-L413 PolarHBondContact O-N 2.74Å; L411-G414 PolarHBondContact O-N 2.89Å; L411-F415 PolarHBondContact O-N 2.8Å
412	S	91.8	Very high	88.9	Confident	33 Å²	33	43.3 Å²	43.3	23%	0.231	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-39.8	175.7	83.4	0	0	0	0	111.4	Q58 M408 S409 I410 F415 L416	Q58-S412 PolarHBondContact NE2-OG 3.35Å; M408-S412 VanDerWaalsContact O-CB 3.31Å; M408-S412 WeakPolarHBondContact O-CB 3.45Å; M408-S412 PolarHBondContact O-N 2.96Å; S409-S412 WeakPolarHBondContact CA-OG 3.35Å; S409-S412 PolarHBondContact O-N 2.9Å; S409-S412 PolarHBondContact O-OG 3.34Å; I410-S412 VanDerWaalsContact C-N 3.32Å; I410-S412 PolarHBondContact O-N 3.41Å; S412-F415 PolarHBondContact O-N 2.63Å; S412-L416 WeakPolarHBondContact O-CB 3.49Å; S412-L416 WeakPolarHBondContact O-CG 3.45Å; S412-L416 PolarHBondContact O-N 2.96Å
413	L	90.6	Very high	89.5	Confident	18 Å²	18	45.5 Å²	45.5	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-44.7	176.7	-177.5	66.6	0	0	0	110.8	P55 L148 Y151 T362 S409 I410 L411 F415 L416 N417	P55-L413 HydrophobicContact CG-CD1 4.14Å; L148-L413 HydrophobicContact CD2-CD1 4.37Å; L148-L413 HydrophobicContact CD2-CD2 3.95Å; Y151-L413 HydrophobicContact CD1-CD1 4.04Å; Y151-L413 HydrophobicContact CE1-CD1 3.58Å; T362-L413 HydrophobicContact CG2-CD2 4.31Å; T362-L413 HydrophobicContact CG2-CG 4.37Å; S409-L413 WeakPolarHBondContact O-CB 3.3Å; S409-L413 PolarHBondContact O-N 2.92Å; I410-L413 WeakPolarHBondContact O-CB 3.3Å; I410-L413 PolarHBondContact O-N 3.06Å; L411-L413 VanDerWaalsContact C-N 3.31Å; L411-L413 PolarHBondContact O-N 2.74Å; L413-F415 VanDerWaalsContact C-N 3.33Å; L413-F415 PolarHBondContact O-N 3.21Å; L413-L416 PolarHBondContact O-N 2.93Å; L413-N417 WeakPolarHBondContact O-CB 3.48Å; L413-N417 PolarHBondContact O-N 3.18Å; L413-N417 PolarHBondContact O-ND2 3.19Å
414	G	90.2	Very high	90	Very high	12 Å²	12	45.4 Å²	45.4	12%	0.124	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-44.3	173.3	0	0	0	0	0	112.2	I410 L411 N417 L418	I410-G414 PolarHBondContact O-N 3.39Å; L411-G414 PolarHBondContact O-N 2.89Å; G414-N417 PolarHBondContact O-N 2.88Å; G414-L418 WeakPolarHBondContact O-CB 3.29Å; G414-L418 PolarHBondContact O-N 2.98Å
415	F	92.8	Very high	90.3	Very high	136 Å²	136	43.6 Å²	43.6	60%	0.596	23%	0.227	S	C	*	.	H	α-helix	trans	-66.1	-42.2	178	-176.7	-97.6	0	0	0	113.3	L411 S412 L413 N417 L418 T419	L411-F415 PolarHBondContact O-N 2.8Å; S412-F415 PolarHBondContact O-N 2.63Å; L413-F415 VanDerWaalsContact C-N 3.33Å; L413-F415 PolarHBondContact O-N 3.21Å; F415-N417 VanDerWaalsContact C-N 3.34Å; F415-L418 PolarHBondContact O-N 3.44Å; F415-T419 WeakPolarHBondContact O-CB 3.39Å; F415-T419 PolarHBondContact O-N 3.32Å; F415-T419 PolarHBondContact O-OG1 3.11Å
416	L	93.1	Very high	90.5	Very high	19 Å²	19	43.5 Å²	43.5	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-43.4	175.4	-70.1	170.1	0	0	0	110.8	L50 I54 S412 L413 T419 G420	L50-L416 HydrophobicContact CD1-CD2 3.36Å; L50-L416 WeakPolarHBondContact CD2-O 3.33Å; L50-L416 HydrophobicContact CG-CB 4.32Å; L50-L416 HydrophobicContact CG-CD2 3.89Å; I54-L416 HydrophobicContact CB-CD1 4.21Å; I54-L416 HydrophobicContact CD1-CD2 3.92Å; I54-L416 HydrophobicContact CG2-CD1 3.58Å; I54-L416 HydrophobicContact CG2-CD2 4.4Å; S412-L416 WeakPolarHBondContact O-CB 3.49Å; S412-L416 WeakPolarHBondContact O-CG 3.45Å; S412-L416 PolarHBondContact O-N 2.96Å; L413-L416 PolarHBondContact O-N 2.93Å; L416-T419 PolarHBondContact O-N 3.46Å; L416-G420 PolarHBondContact O-N 3.15Å
417	N	91.5	Very high	90.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-64.5	-42	175.5	-82.9	-81.3	0	0	0	112.4	Y151 H359 T362 I363 L413 G414 F415 G420 L421	Y151-N417 PolarHBondContact OH-ND2 2.89Å; Y151-N417 PolarHBondContact OH-OD1 3.47Å; H359-N417 PolarHBondContact ND1-OD1 2.84Å; T362-N417 WeakPolarHBondContact CG2-ND2 3.47Å; I363-N417 HydrophobicContact CD1-CB 4.21Å; I363-N417 HydrophobicContact CG1-CB 3.8Å; L413-N417 WeakPolarHBondContact O-CB 3.48Å; L413-N417 PolarHBondContact O-N 3.18Å; L413-N417 PolarHBondContact O-ND2 3.19Å; G414-N417 PolarHBondContact O-N 2.88Å; F415-N417 VanDerWaalsContact C-N 3.34Å; N417-G420 PolarHBondContact O-N 3.45Å; N417-L421 WeakPolarHBondContact O-CB 3.29Å; N417-L421 PolarHBondContact O-N 3.44Å
418	L	93.4	Very high	90.5	Very high	79 Å²	79	44.3 Å²	44.3	41%	0.414	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-44.7	176.4	-178.9	64.1	0	0	0	111.3	I363 G414 F415 L421 I422	I363-L418 HydrophobicContact CD1-CB 4.34Å; I363-L418 HydrophobicContact CD1-CD1 4.43Å; G414-L418 WeakPolarHBondContact O-CB 3.29Å; G414-L418 PolarHBondContact O-N 2.98Å; F415-L418 PolarHBondContact O-N 3.44Å; L418-L421 PolarHBondContact O-N 2.91Å; L418-I422 HydrophobicContact CD1-CD1 4.18Å; L418-I422 HydrophobicContact CD1-CG1 4.49Å; L418-I422 HydrophobicContact CG-CD1 3.93Å; L418-I422 WeakPolarHBondContact O-CB 3.35Å; L418-I422 VanDerWaalsContact O-CG1 3.25Å; L418-I422 WeakPolarHBondContact O-CG1 3.26Å; L418-I422 PolarHBondContact O-N 3.4Å
419	T	93.2	Very high	90.2	Very high	39 Å²	39	45.4 Å²	45.4	24%	0.239	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-41.8	176.5	-60.4	0	0	0	0	111	L50 F415 L416 I422 L423	L50-T419 HydrophobicContact CD2-CG2 4.15Å; F415-T419 WeakPolarHBondContact O-CB 3.39Å; F415-T419 PolarHBondContact O-N 3.32Å; F415-T419 PolarHBondContact O-OG1 3.11Å; L416-T419 PolarHBondContact O-N 3.46Å; T419-I422 PolarHBondContact O-N 2.92Å; T419-L423 HydrophobicContact CG2-CD1 4.03Å; T419-L423 HydrophobicContact CG2-CG 4.36Å; T419-L423 WeakPolarHBondContact O-CB 3.31Å; T419-L423 VanDerWaalsContact O-CG 3.27Å; T419-L423 WeakPolarHBondContact O-CG 3.48Å; T419-L423 PolarHBondContact O-N 3.28Å
420	G	90.8	Very high	89.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.4	-46.6	174.9	0	0	0	0	0	112.4	L416 N417 L423 Q424	L416-G420 PolarHBondContact O-N 3.15Å; N417-G420 PolarHBondContact O-N 3.45Å; G420-L423 PolarHBondContact O-N 3.15Å; G420-Q424 WeakPolarHBondContact O-CB 3.43Å; G420-Q424 PolarHBondContact O-N 3.36Å
421	L	92.2	Very high	88.8	Confident	43 Å²	43	50.8 Å²	50.8	23%	0.225	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-46.2	176.1	-171.6	155.5	0	0	0	111.5	H359 I363 N417 L418 Q424 M425	H359-L421 HydrophobicContact CB-CB 4.31Å; H359-L421 HydrophobicContact CB-CD1 4.3Å; I363-L421 HydrophobicContact CD1-CD1 4.07Å; N417-L421 WeakPolarHBondContact O-CB 3.29Å; N417-L421 PolarHBondContact O-N 3.44Å; L418-L421 PolarHBondContact O-N 2.91Å; L421-Q424 PolarHBondContact O-N 2.98Å; L421-M425 HydrophobicContact CD2-CG 3.9Å; L421-M425 WeakPolarHBondContact O-CB 3.21Å; L421-M425 VanDerWaalsContact O-CG 3.28Å; L421-M425 WeakPolarHBondContact O-CG 3.48Å; L421-M425 PolarHBondContact O-N 3.46Å
422	I	92.9	Very high	88	Confident	78 Å²	78	47.3 Å²	47.3	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-47.2	178	-70.2	166.3	0	0	0	110.6	L418 T419 Q424 M425 I426	L418-I422 HydrophobicContact CD1-CD1 4.18Å; L418-I422 HydrophobicContact CD1-CG1 4.49Å; L418-I422 HydrophobicContact CG-CD1 3.93Å; L418-I422 WeakPolarHBondContact O-CB 3.35Å; L418-I422 VanDerWaalsContact O-CG1 3.25Å; L418-I422 WeakPolarHBondContact O-CG1 3.26Å; L418-I422 PolarHBondContact O-N 3.4Å; T419-I422 PolarHBondContact O-N 2.92Å; I422-Q424 VanDerWaalsContact C-N 3.3Å; I422-Q424 PolarHBondContact O-N 2.99Å; I422-M425 PolarHBondContact O-N 2.86Å; I422-I426 HydrophobicContact CG2-CD1 3.61Å; I422-I426 HydrophobicContact CG2-CG1 4.26Å; I422-I426 VanDerWaalsContact O-CG1 3.28Å; I422-I426 WeakPolarHBondContact O-CG1 3.46Å; I422-I426 PolarHBondContact O-N 3.19Å
423	L	91.8	Very high	87	Confident	47 Å²	47	50.3 Å²	50.3	25%	0.246	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-40.9	178.1	-74	172.7	0	0	0	111.8	I43 I46 T419 G420 I426 Y427	I43-L423 HydrophobicContact CD1-CB 3.92Å; I46-L423 HydrophobicContact CG2-CD1 3.95Å; T419-L423 HydrophobicContact CG2-CD1 4.03Å; T419-L423 HydrophobicContact CG2-CG 4.36Å; T419-L423 WeakPolarHBondContact O-CB 3.31Å; T419-L423 VanDerWaalsContact O-CG 3.27Å; T419-L423 WeakPolarHBondContact O-CG 3.48Å; T419-L423 PolarHBondContact O-N 3.28Å; G420-L423 PolarHBondContact O-N 3.15Å; L423-I426 PolarHBondContact O-N 3.06Å; L423-Y427 VanDerWaalsContact O-CB 3.27Å; L423-Y427 WeakPolarHBondContact O-CB 3.5Å; L423-Y427 PolarHBondContact O-N 3.43Å
424	Q	90.9	Very high	85.9	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.019	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-46.3	175.4	-172.6	179.6	-9.1	0	0	111	H352 G420 L421 I422 Y427 F428	H352-Q424 VanDerWaalsContact C-NE2 3.32Å; H352-Q424 PolarHBondContact ND1-NE2 3.02Å; H352-Q424 PolarHBondContact O-NE2 3Å; G420-Q424 WeakPolarHBondContact O-CB 3.43Å; G420-Q424 PolarHBondContact O-N 3.36Å; L421-Q424 PolarHBondContact O-N 2.98Å; I422-Q424 VanDerWaalsContact C-N 3.3Å; I422-Q424 PolarHBondContact O-N 2.99Å; Q424-Y427 PolarHBondContact O-N 2.95Å; Q424-F428 HydrophobicContact CG-CD2 3.89Å; Q424-F428 HydrophobicContact CG-CE2 3.9Å; Q424-F428 VanDerWaalsContact O-CD2 3.29Å; Q424-F428 WeakPolarHBondContact O-CD2 3.23Å; Q424-F428 PolarHBondContact O-N 3.29Å
425	M	88.8	Confident	84.4	Confident	105 Å²	105	53.8 Å²	53.8	52%	0.517	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-44.5	177.4	-71.2	-62.7	-69.7	0	0	112.1	L356 L421 I422 F428 Y429	L356-M425 HydrophobicContact CD1-SD 4.49Å; L421-M425 HydrophobicContact CD2-CG 3.9Å; L421-M425 WeakPolarHBondContact O-CB 3.21Å; L421-M425 VanDerWaalsContact O-CG 3.28Å; L421-M425 WeakPolarHBondContact O-CG 3.48Å; L421-M425 PolarHBondContact O-N 3.46Å; I422-M425 PolarHBondContact O-N 2.86Å; M425-F428 PolarHBondContact O-N 3.49Å; M425-Y429 WeakPolarHBondContact O-CB 3.28Å; M425-Y429 PolarHBondContact O-N 3.43Å
426	I	89.8	Confident	82.8	Confident	75 Å²	75	50.3 Å²	50.3	39%	0.385	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-45.9	175.7	-67.9	168.4	0	0	0	110	I422 L423 F428 Y429 E430	I422-I426 HydrophobicContact CG2-CD1 3.61Å; I422-I426 HydrophobicContact CG2-CG1 4.26Å; I422-I426 VanDerWaalsContact O-CG1 3.28Å; I422-I426 WeakPolarHBondContact O-CG1 3.46Å; I422-I426 PolarHBondContact O-N 3.19Å; L423-I426 PolarHBondContact O-N 3.06Å; I426-F428 PolarHBondContact O-N 3.29Å; I426-Y429 PolarHBondContact O-N 2.89Å; I426-E430 HydrophobicContact CG2-CG 4.11Å; I426-E430 WeakPolarHBondContact O-CB 3.41Å; I426-E430 WeakPolarHBondContact O-CG 3.28Å; I426-E430 PolarHBondContact O-N 3.06Å
427	Y	86.4	Confident	81.1	Confident	3 Å²	3	56.5 Å²	56.5	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-47.9	179.6	176.3	-93.9	0	0	0	112.3	W42 I43 Y348 L423 Q424 Y429 N431 F432	W42-Y427 AromaticContact CE2-CD2 3.94Å; W42-Y427 AromaticContact CZ2-CD2 3.68Å; W42-Y427 HydrophobicContact CZ2-CD2 3.68Å; W42-Y427 HydrophobicContact CZ2-CE2 4.31Å; W42-Y427 AromaticContact NE1-CE2 3.76Å; I43-Y427 HydrophobicContact CB-CD2 3.94Å; I43-Y427 HydrophobicContact CB-CE2 4.26Å; I43-Y427 HydrophobicContact CB-CG 4.15Å; I43-Y427 HydrophobicContact CG1-CD2 4.35Å; I43-Y427 HydrophobicContact CG1-CG 4.11Å; I43-Y427 HydrophobicContact CG2-CD1 4.11Å; I43-Y427 HydrophobicContact CG2-CD2 3.98Å; I43-Y427 HydrophobicContact CG2-CE1 4.03Å; I43-Y427 HydrophobicContact CG2-CE2 3.9Å; I43-Y427 HydrophobicContact CG2-CG 4.09Å; Y348-Y427 HydrophobicContact CE1-CE1 4.17Å; Y348-Y427 VanDerWaalsContact OH-CE1 3.25Å; Y348-Y427 WeakPolarHBondContact OH-CE1 3.28Å; Y348-Y427 PolarHBondContact OH-OH 2.89Å; L423-Y427 VanDerWaalsContact O-CB 3.27Å; L423-Y427 WeakPolarHBondContact O-CB 3.5Å; L423-Y427 PolarHBondContact O-N 3.43Å; Q424-Y427 PolarHBondContact O-N 2.95Å; Y427-Y429 VanDerWaalsContact C-N 3.34Å; Y427-N431 WeakPolarHBondContact CD2-ND2 3.41Å; Y427-N431 VanDerWaalsContact CE2-ND2 3.3Å; Y427-N431 WeakPolarHBondContact CE2-ND2 3.46Å; Y427-N431 WeakPolarHBondContact O-CB 3.48Å; Y427-N431 PolarHBondContact O-N 3.35Å; Y427-N431 PolarHBondContact O-ND2 3.46Å; Y427-F432 HydrophobicContact CE1-CE2 4.26Å
428	F	84.7	Confident	79.2	Confident	37 Å²	37	58.3 Å²	58.3	16%	0.162	28%	0.277	C	S	.	.	H	α-helix	trans	-70.6	-32.9	177.9	-81.3	-76.4	0	0	0	112.4	W345 Y348 H352 Q424 M425 I426 F432 I433	W345-F428 HydrophobicContact CH2-CE1 4.23Å; Y348-F428 HydrophobicContact CE1-CE1 4.36Å; Y348-F428 HydrophobicContact CE1-CZ 4.03Å; H352-F428 HydrophobicContact CB-CE2 3.63Å; H352-F428 HydrophobicContact CB-CZ 3.64Å; H352-F428 AromaticContact CD2-CE2 4Å; H352-F428 AromaticContact CD2-CZ 3.74Å; H352-F428 AromaticContact CG-CE2 3.5Å; H352-F428 AromaticContact CG-CZ 3.6Å; H352-F428 AromaticContact ND1-CE2 3.75Å; Q424-F428 HydrophobicContact CG-CD2 3.89Å; Q424-F428 HydrophobicContact CG-CE2 3.9Å; Q424-F428 VanDerWaalsContact O-CD2 3.29Å; Q424-F428 WeakPolarHBondContact O-CD2 3.23Å; Q424-F428 PolarHBondContact O-N 3.29Å; M425-F428 PolarHBondContact O-N 3.49Å; I426-F428 PolarHBondContact O-N 3.29Å; F428-F432 AromaticContact CD1-CD2 3.65Å; F428-F432 HydrophobicContact CD1-CD2 3.65Å; F428-F432 HydrophobicContact CD1-CE2 4.02Å; F428-F432 HydrophobicContact CD1-CG 4.48Å; F428-F432 HydrophobicContact CE1-CD2 4.19Å; F428-F432 HydrophobicContact CE1-CE2 4.13Å; F428-F432 WeakPolarHBondContact O-CA 3.27Å; F428-F432 WeakPolarHBondContact O-CB 3.4Å; F428-F432 PolarHBondContact O-N 2.89Å; F428-I433 PolarHBondContact O-N 2.92Å
429	Y	82.7	Confident	77.2	Confident	118 Å²	118	58.3 Å²	58.3	46%	0.463	27%	0.273	S	S	.	.	I	π-helix	trans	-64.8	-55.7	174.1	-178.6	-99.7	0	0	0	110.8	M425 I426 Y427 N431 I433 H434	M425-Y429 WeakPolarHBondContact O-CB 3.28Å; M425-Y429 PolarHBondContact O-N 3.43Å; I426-Y429 PolarHBondContact O-N 2.89Å; Y427-Y429 VanDerWaalsContact C-N 3.34Å; Y429-N431 PolarHBondContact O-N 3.27Å; Y429-I433 HydrophobicContact CD2-CB 4.02Å; Y429-I433 HydrophobicContact CD2-CD1 4.47Å; Y429-I433 HydrophobicContact CD2-CG2 4.05Å; Y429-I433 HydrophobicContact CE2-CG2 4.23Å; Y429-I433 PolarHBondContact O-N 3.23Å; Y429-H434 HydrophobicContact CD1-CB 4.2Å; Y429-H434 HydrophobicContact CE1-CB 3.96Å; Y429-H434 WeakPolarHBondContact O-CA 3.3Å; Y429-H434 WeakPolarHBondContact O-CB 3.39Å; Y429-H434 PolarHBondContact O-N 2.93Å
430	E	77.7	Confident	75.2	Confident	108 Å²	108	63.2 Å²	63.2	51%	0.505	30%	0.299	S	S	.	.	I	π-helix	trans	-64.2	-43	-176.3	-72.3	-174.8	165.9	0	0	113.1	I426 I435	I426-E430 HydrophobicContact CG2-CG 4.11Å; I426-E430 WeakPolarHBondContact O-CB 3.41Å; I426-E430 WeakPolarHBondContact O-CG 3.28Å; I426-E430 PolarHBondContact O-N 3.06Å; E430-I435 WeakPolarHBondContact O-CG1 3.24Å
431	N	70.3	Confident	73.1	Confident	28 Å²	28	65.7 Å²	65.7	15%	0.15	31%	0.313	C	S	.	.	I	π-helix	trans	-86.6	-33.7	-173.7	-64.6	-71.8	0	0	0	113	Y427 Y429 I435 H503 L507	Y427-N431 WeakPolarHBondContact CD2-ND2 3.41Å; Y427-N431 VanDerWaalsContact CE2-ND2 3.3Å; Y427-N431 WeakPolarHBondContact CE2-ND2 3.46Å; Y427-N431 WeakPolarHBondContact O-CB 3.48Å; Y427-N431 PolarHBondContact O-N 3.35Å; Y427-N431 PolarHBondContact O-ND2 3.46Å; Y429-N431 PolarHBondContact O-N 3.27Å; N431-I435 WeakPolarHBondContact O-CD1 3.3Å; N431-H503 PolarHBondContact O-CD2 2.89Å; N431-H503 PolarHBondContact O-NE2 2.98Å; N431-L507 HydrophobicContact CB-CD1 4.09Å; N431-L507 WeakPolarHBondContact OD1-CD2 3.48Å
432	F	71.7	Confident	70.8	Confident	11 Å²	11	67.2 Å²	67.2	5%	0.048	32%	0.322	C	S	.	.	I	π-helix	trans	-109.9	-65	-176.5	-61.5	-84.8	0	0	0	110.6	W345 Y427 F428 H434 I435 F436 H503 L507	W345-F432 HydrophobicContact CE3-CE1 4.34Å; W345-F432 HydrophobicContact CE3-CZ 4.28Å; W345-F432 AromaticContact CH2-CD1 3.65Å; W345-F432 HydrophobicContact CH2-CD1 3.65Å; W345-F432 HydrophobicContact CH2-CD2 4.2Å; W345-F432 AromaticContact CH2-CE1 3.2Å; W345-F432 HydrophobicContact CH2-CE1 3.2Å; W345-F432 AromaticContact CH2-CE2 3.81Å; W345-F432 HydrophobicContact CH2-CE2 3.81Å; W345-F432 HydrophobicContact CH2-CG 4.14Å; W345-F432 AromaticContact CH2-CZ 3.3Å; W345-F432 HydrophobicContact CH2-CZ 3.3Å; W345-F432 HydrophobicContact CZ2-CD1 4.21Å; W345-F432 AromaticContact CZ2-CE1 3.99Å; W345-F432 HydrophobicContact CZ2-CE1 3.99Å; W345-F432 HydrophobicContact CZ2-CZ 4.47Å; W345-F432 HydrophobicContact CZ3-CD1 4.32Å; W345-F432 AromaticContact CZ3-CE1 3.42Å; W345-F432 HydrophobicContact CZ3-CE1 3.42Å; W345-F432 VanDerWaalsContact CZ3-CE1 3.42Å; W345-F432 AromaticContact CZ3-CE2 3.92Å; W345-F432 HydrophobicContact CZ3-CE2 3.92Å; W345-F432 AromaticContact CZ3-CZ 3.18Å; W345-F432 HydrophobicContact CZ3-CZ 3.18Å; Y427-F432 HydrophobicContact CE1-CE2 4.26Å; F428-F432 AromaticContact CD1-CD2 3.65Å; F428-F432 HydrophobicContact CD1-CD2 3.65Å; F428-F432 HydrophobicContact CD1-CE2 4.02Å; F428-F432 HydrophobicContact CD1-CG 4.48Å; F428-F432 HydrophobicContact CE1-CD2 4.19Å; F428-F432 HydrophobicContact CE1-CE2 4.13Å; F428-F432 WeakPolarHBondContact O-CA 3.27Å; F428-F432 WeakPolarHBondContact O-CB 3.4Å; F428-F432 PolarHBondContact O-N 2.89Å; F432-H434 PolarHBondContact O-N 3.4Å; F432-I435 PolarHBondContact O-N 3.03Å; F432-F436 VanDerWaalsContact C-CD2 3.42Å; F432-F436 HydrophobicContact CB-CD2 4.25Å; F432-F436 HydrophobicContact CB-CE2 3.85Å; F432-F436 HydrophobicContact CD1-CE2 4.05Å; F432-F436 HydrophobicContact CD1-CZ 4.41Å; F432-F436 HydrophobicContact CG-CE2 4.47Å; F432-F436 WeakPolarHBondContact O-CB 3.44Å; F432-F436 WeakPolarHBondContact O-CD2 3.31Å; F432-F436 WeakPolarHBondContact O-CE2 3.16Å; F432-F436 WeakPolarHBondContact O-CG 3.41Å; F432-F436 PolarHBondContact O-N 3.27Å; F432-H503 AromaticContact CE1-CD2 3.81Å; F432-L507 HydrophobicContact CE2-CD1 4.21Å; F432-L507 HydrophobicContact CZ-CD1 3.81Å
433	I	72.3	Confident	68.2	Low	95 Å²	95	63.6 Å²	63.6	49%	0.487	30%	0.303	S	S	.	.	I	π-helix	trans	-65.3	-48.9	-168.3	-56.3	174.4	0	0	0	112.3	F428 Y429 F436 W437	F428-I433 PolarHBondContact O-N 2.92Å; Y429-I433 HydrophobicContact CD2-CB 4.02Å; Y429-I433 HydrophobicContact CD2-CD1 4.47Å; Y429-I433 HydrophobicContact CD2-CG2 4.05Å; Y429-I433 HydrophobicContact CE2-CG2 4.23Å; Y429-I433 PolarHBondContact O-N 3.23Å; I433-F436 PolarHBondContact O-N 3.47Å; I433-W437 WeakPolarHBondContact O-CB 3.39Å; I433-W437 PolarHBondContact O-N 3.02Å
434	H	66.4	Low	65.5	Low	68 Å²	68	64 Å²	64	32%	0.315	31%	0.306	S	S	.	.	H	α-helix	trans	-66	-42.3	-176.9	-179.6	-110.9	0	0	0	111.2	Y429 F432 W437 L438	Y429-H434 HydrophobicContact CD1-CB 4.2Å; Y429-H434 HydrophobicContact CE1-CB 3.96Å; Y429-H434 WeakPolarHBondContact O-CA 3.3Å; Y429-H434 WeakPolarHBondContact O-CB 3.39Å; Y429-H434 PolarHBondContact O-N 2.93Å; F432-H434 PolarHBondContact O-N 3.4Å; H434-W437 PolarHBondContact O-N 3.43Å; H434-L438 WeakPolarHBondContact CE1-CD1 3.39Å; H434-L438 WeakPolarHBondContact ND1-CD1 3.49Å; H434-L438 VanDerWaalsContact O-CB 3.27Å; H434-L438 WeakPolarHBondContact O-CB 2.99Å; H434-L438 WeakPolarHBondContact O-CG 3.34Å; H434-L438 PolarHBondContact O-N 2.87Å
435	I	59.6	Low	63.1	Low	35 Å²	35	66 Å²	66	18%	0.179	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-41.1	175.3	-66.8	179.1	0	0	0	110.5	E430 N431 F432 F439 Y445 H503	E430-I435 WeakPolarHBondContact O-CG1 3.24Å; N431-I435 WeakPolarHBondContact O-CD1 3.3Å; F432-I435 PolarHBondContact O-N 3.03Å; I435-F439 VanDerWaalsContact O-CB 3.29Å; I435-F439 WeakPolarHBondContact O-CB 3.43Å; I435-F439 PolarHBondContact O-N 2.82Å; I435-Y445 HydrophobicContact CG2-CD2 3.66Å; I435-Y445 HydrophobicContact CG2-CE2 3.76Å; I435-H503 VanDerWaalsContact CD1-CE1 3.46Å; I435-H503 WeakPolarHBondContact CD1-CE1 3.33Å
436	F	59.5	Low	60.8	Low	64 Å²	64	65.6 Å²	65.6	28%	0.281	31%	0.312	S	S	.	.	H	α-helix	trans	-70.3	-34.8	174.9	-65.6	-46.8	0	0	0	113.4	F432 I433 F439 N440 C499	F432-F436 VanDerWaalsContact C-CD2 3.42Å; F432-F436 HydrophobicContact CB-CD2 4.25Å; F432-F436 HydrophobicContact CB-CE2 3.85Å; F432-F436 HydrophobicContact CD1-CE2 4.05Å; F432-F436 HydrophobicContact CD1-CZ 4.41Å; F432-F436 HydrophobicContact CG-CE2 4.47Å; F432-F436 WeakPolarHBondContact O-CB 3.44Å; F432-F436 WeakPolarHBondContact O-CD2 3.31Å; F432-F436 WeakPolarHBondContact O-CE2 3.16Å; F432-F436 WeakPolarHBondContact O-CG 3.41Å; F432-F436 PolarHBondContact O-N 3.27Å; I433-F436 PolarHBondContact O-N 3.47Å; F436-F439 WeakPolarHBondContact O-CB 3.44Å; F436-F439 PolarHBondContact O-N 3.27Å; F436-N440 WeakPolarHBondContact O-CB 3.17Å; F436-N440 PolarHBondContact O-N 3.02Å; F436-C499 HydrophobicContact CD1-CB 4.32Å; F436-C499 VanDerWaalsContact CE1-C 3.49Å; F436-C499 HydrophobicContact CE1-CB 3.59Å; F436-C499 WeakPolarHBondContact CE1-O 3.38Å; F436-C499 VanDerWaalsContact CZ-C 3.47Å; F436-C499 HydrophobicContact CZ-CB 4.11Å; F436-C499 WeakPolarHBondContact CZ-O 3.37Å
437	W	56.7	Low	58.1	Low	149 Å²	149	65 Å²	65	56%	0.564	32%	0.324	S	S	*	.	H	α-helix	trans	-69.8	-42.6	177.1	-174.8	80.1	0	0	0	110.9	I433 H434 F439 N440 T441	I433-W437 WeakPolarHBondContact O-CB 3.39Å; I433-W437 PolarHBondContact O-N 3.02Å; H434-W437 PolarHBondContact O-N 3.43Å; W437-F439 VanDerWaalsContact C-N 3.33Å; W437-N440 PolarHBondContact O-N 3.49Å; W437-T441 HydrophobicContact CD2-CG2 4.35Å; W437-T441 HydrophobicContact CZ2-CG2 4.18Å; W437-T441 WeakPolarHBondContact O-CB 3.44Å; W437-T441 WeakPolarHBondContact O-CG2 3.25Å; W437-T441 PolarHBondContact O-N 3.47Å; W437-T441 PolarHBondContact O-OG1 3.19Å
438	L	51.8	Low	55.6	Low	39 Å²	39	67 Å²	67	20%	0.204	34%	0.336	C	S	.	.	H	α-helix	trans	-57.1	-48.5	167.1	-86.3	158.2	0	0	0	109.9	H434 N440 T441 N442 G443	H434-L438 WeakPolarHBondContact CE1-CD1 3.39Å; H434-L438 WeakPolarHBondContact ND1-CD1 3.49Å; H434-L438 VanDerWaalsContact O-CB 3.27Å; H434-L438 WeakPolarHBondContact O-CB 2.99Å; H434-L438 WeakPolarHBondContact O-CG 3.34Å; H434-L438 PolarHBondContact O-N 2.87Å; L438-N440 VanDerWaalsContact C-N 3.25Å; L438-N440 PolarHBondContact O-N 3.27Å; L438-T441 PolarHBondContact O-N 3.04Å; L438-T441 VanDerWaalsContact O-N 3.16Å; L438-T441 PolarHBondContact O-OG1 3.14Å; L438-N442 HydrophobicContact CD2-CB 4.28Å; L438-N442 CarbonylContact O-C 3.43Å; L438-N442 WeakPolarHBondContact O-CA 3.27Å; L438-N442 PolarHBondContact O-N 3.3Å; L438-G443 WeakPolarHBondContact O-CA 3.27Å; L438-G443 PolarHBondContact O-N 3.01Å
439	F	50.2	Low	53.3	Low	78 Å²	78	70.2 Å²	70.2	34%	0.342	36%	0.359	S	S	.	.	H	α-helix	trans	-51.2	-44.9	176.5	-171.3	-98.3	0	0	0	112.2	I435 F436 W437 G443 T450 F455	I435-F439 VanDerWaalsContact O-CB 3.29Å; I435-F439 WeakPolarHBondContact O-CB 3.43Å; I435-F439 PolarHBondContact O-N 2.82Å; F436-F439 WeakPolarHBondContact O-CB 3.44Å; F436-F439 PolarHBondContact O-N 3.27Å; W437-F439 VanDerWaalsContact C-N 3.33Å; F439-G443 WeakPolarHBondContact O-CA 3.22Å; F439-G443 PolarHBondContact O-N 3.41Å; F439-T450 HydrophobicContact CD2-CG2 4.13Å; F439-T450 HydrophobicContact CE2-CG2 3.92Å; F439-T450 HydrophobicContact CZ-CG2 4.49Å; F439-F455 HydrophobicContact CE2-CE1 4.12Å; F439-F455 AromaticContact CZ-CD1 3.92Å; F439-F455 HydrophobicContact CZ-CD1 3.92Å; F439-F455 AromaticContact CZ-CE1 3.82Å; F439-F455 HydrophobicContact CZ-CE1 3.82Å
440	N	51.9	Low	51	Low	143 Å²	143	65.4 Å²	65.4	77%	0.765	34%	0.342	S	S	*	.	H	α-helix	trans	-77.6	-24.8	-176.1	-152.8	21.4	0	0	0	113.8	F436 W437 L438	F436-N440 WeakPolarHBondContact O-CB 3.17Å; F436-N440 PolarHBondContact O-N 3.02Å; W437-N440 PolarHBondContact O-N 3.49Å; L438-N440 VanDerWaalsContact C-N 3.25Å; L438-N440 PolarHBondContact O-N 3.27Å
441	T	47.1	Very low	48.8	Very low	51 Å²	51	67.8 Å²	67.8	31%	0.313	35%	0.351	S	S	.	.	H	α-helix	trans	-107.4	-39.9	-173.5	54.8	0	0	0	0	114	W437 L438	W437-T441 HydrophobicContact CD2-CG2 4.35Å; W437-T441 HydrophobicContact CZ2-CG2 4.18Å; W437-T441 WeakPolarHBondContact O-CB 3.44Å; W437-T441 WeakPolarHBondContact O-CG2 3.25Å; W437-T441 PolarHBondContact O-N 3.47Å; W437-T441 PolarHBondContact O-OG1 3.19Å; L438-T441 PolarHBondContact O-N 3.04Å; L438-T441 VanDerWaalsContact O-N 3.16Å; L438-T441 PolarHBondContact O-OG1 3.14Å
442	N	43	Very low	46.9	Very low	76 Å²	76	68.8 Å²	68.8	41%	0.406	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-5.5	-172.1	-67.4	-29.1	0	0	0	113.1	L438 N444 T450	L438-N442 HydrophobicContact CD2-CB 4.28Å; L438-N442 CarbonylContact O-C 3.43Å; L438-N442 WeakPolarHBondContact O-CA 3.27Å; L438-N442 PolarHBondContact O-N 3.3Å; N442-N444 PolarHBondContact O-N 3.45Å; N442-T450 PolarHBondContact O-N 3.27Å
443	G	39.1	Very low	44.9	Very low	1 Å²	1	76.4 Å²	76.4	1%	0.01	40%	0.4	C	S	.	.			trans	-21.6	58.1	-140.1	0	0	0	0	0	122.7	L438 F439 Y445 V448 T450	L438-G443 WeakPolarHBondContact O-CA 3.27Å; L438-G443 PolarHBondContact O-N 3.01Å; F439-G443 WeakPolarHBondContact O-CA 3.22Å; F439-G443 PolarHBondContact O-N 3.41Å; G443-Y445 PolarHBondContact O-N 2.94Å; G443-V448 CarbonylContact C-O 3.56Å; G443-T450 VanDerWaalsContact C-CG2 3.48Å; G443-T450 VanDerWaalsContact CA-CG2 3.42Å; G443-T450 WeakPolarHBondContact CA-OG1 3.45Å; G443-T450 VanDerWaalsContact N-CB 3.25Å; G443-T450 PolarHBondContact N-OG1 2.87Å; G443-T450 WeakPolarHBondContact O-CB 3.47Å; G443-T450 WeakPolarHBondContact O-CG2 3.19Å; G443-T450 PolarHBondContact O-N 3.07Å
444	N	34.8	Very low	43.1	Very low	57 Å²	57	77.7 Å²	77.7	31%	0.305	41%	0.406	S	S	.	.			trans	-51	94.3	144.1	-70.8	-39.3	0	0	0	109.9	N442 V448 T449	N442-N444 PolarHBondContact O-N 3.45Å; N444-V448 WeakPolarHBondContact CA-O 3.22Å; N444-V448 PolarHBondContact N-O 3.04Å; N444-V448 PolarHBondContact OD1-O 3.38Å; N444-T449 WeakPolarHBondContact OD1-CA 3.43Å; N444-T449 WeakPolarHBondContact OD1-CG2 3.22Å; N444-T449 PolarHBondContact OD1-N 3.38Å
445	Y	40	Very low	41.3	Very low	44 Å²	44	79.8 Å²	79.8	17%	0.173	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-85.6	118.8	155.4	-173.1	-98.1	0	0	0	106.5	I435 G443 G447 V448 H503 H523	I435-Y445 HydrophobicContact CG2-CD2 3.66Å; I435-Y445 HydrophobicContact CG2-CE2 3.76Å; G443-Y445 PolarHBondContact O-N 2.94Å; Y445-G447 PolarHBondContact O-N 3.33Å; Y445-V448 PolarHBondContact N-O 3.4Å; Y445-V448 WeakPolarHBondContact O-CB 3.49Å; Y445-V448 VanDerWaalsContact O-CG2 3.26Å; Y445-V448 WeakPolarHBondContact O-CG2 3.45Å; Y445-V448 PolarHBondContact O-N 2.93Å; Y445-H503 AromaticContact CE2-ND1 3.67Å; Y445-H503 AromaticContact CZ-ND1 3.71Å; Y445-H503 PolarHBondContact OH-ND1 3.33Å; Y445-H523 AromaticContact CE1-NE2 3.84Å
446	M	40.8	Very low	40	Very low	98 Å²	98	86.1 Å²	86.1	48%	0.483	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	28.8	178.9	-64.2	-166.2	169.7	0	0	116.3	S506	M446-S506 WeakPolarHBondContact CE-OG 3.49Å
447	G	34.3	Very low	38.8	Very low	61 Å²	61	86.9 Å²	86.9	63%	0.629	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	13.2	-178.9	0	0	0	0	0	115.4	Y445	Y445-G447 PolarHBondContact O-N 3.33Å
448	V	34	Very low	37.7	Very low	46 Å²	46	82.2 Å²	82.2	28%	0.279	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-106.1	108.2	179.1	-171.1	0	0	0	0	113	G443 N444 Y445 T450 E527	G443-V448 CarbonylContact C-O 3.56Å; N444-V448 WeakPolarHBondContact CA-O 3.22Å; N444-V448 PolarHBondContact N-O 3.04Å; N444-V448 PolarHBondContact OD1-O 3.38Å; Y445-V448 PolarHBondContact N-O 3.4Å; Y445-V448 WeakPolarHBondContact O-CB 3.49Å; Y445-V448 VanDerWaalsContact O-CG2 3.26Å; Y445-V448 WeakPolarHBondContact O-CG2 3.45Å; Y445-V448 PolarHBondContact O-N 2.93Å; V448-T450 PolarHBondContact O-N 3.01Å; V448-E527 HydrophobicContact CG2-CG 4.17Å; V448-E527 WeakPolarHBondContact CG2-OE1 3.31Å
449	T	35.5	Very low	36.8	Very low	104 Å²	104	83.6 Å²	83.6	64%	0.638	47%	0.466	S	S	*	.			trans	-58.7	131.4	-176.5	50	0	0	0	0	113.8	N444	N444-T449 WeakPolarHBondContact OD1-CA 3.43Å; N444-T449 WeakPolarHBondContact OD1-CG2 3.22Å; N444-T449 PolarHBondContact OD1-N 3.38Å
450	T	34.8	Very low	36	Very low	18 Å²	18	82.3 Å²	82.3	11%	0.11	46%	0.463	C	S	.	.			trans	-98.5	1.4	-175.3	104.9	0	0	0	0	114.7	F439 N442 G443 V448 P452 F455	F439-T450 HydrophobicContact CD2-CG2 4.13Å; F439-T450 HydrophobicContact CE2-CG2 3.92Å; F439-T450 HydrophobicContact CZ-CG2 4.49Å; N442-T450 PolarHBondContact O-N 3.27Å; G443-T450 VanDerWaalsContact C-CG2 3.48Å; G443-T450 VanDerWaalsContact CA-CG2 3.42Å; G443-T450 WeakPolarHBondContact CA-OG1 3.45Å; G443-T450 VanDerWaalsContact N-CB 3.25Å; G443-T450 PolarHBondContact N-OG1 2.87Å; G443-T450 WeakPolarHBondContact O-CB 3.47Å; G443-T450 WeakPolarHBondContact O-CG2 3.19Å; G443-T450 PolarHBondContact O-N 3.07Å; V448-T450 PolarHBondContact O-N 3.01Å; T450-P452 VanDerWaalsContact C-CD 3.45Å; T450-P452 WeakPolarHBondContact O-CD 3.18Å; T450-F455 HydrophobicContact CG2-CD1 4.08Å; T450-F455 HydrophobicContact CG2-CD2 4.03Å; T450-F455 HydrophobicContact CG2-CE1 3.55Å; T450-F455 HydrophobicContact CG2-CE2 3.49Å; T450-F455 VanDerWaalsContact CG2-CE2 3.49Å; T450-F455 HydrophobicContact CG2-CG 4.3Å; T450-F455 HydrophobicContact CG2-CZ 3.23Å; T450-F455 WeakPolarHBondContact O-CD2 3.43Å; T450-F455 WeakPolarHBondContact O-CE2 3.4Å
451	K	31.3	Very low	35	Very low	158 Å²	158	82.1 Å²	82.1	69%	0.687	46%	0.458	S	S	*	.			trans	-88.3	91.3	172.7	-76.6	-173.9	176.6	175.3	0	110
452	P	30.6	Very low	34.5	Very low	49 Å²	49	82 Å²	82	32%	0.318	46%	0.459	S	S	.	.	S	Bend		-131.9	91.6	126.4	32.2	-15.2	0	0	0	109.2	T450 I454 E461	T450-P452 VanDerWaalsContact C-CD 3.45Å; T450-P452 WeakPolarHBondContact O-CD 3.18Å; P452-I454 VanDerWaalsContact C-N 3.26Å; P452-I454 PolarHBondContact O-N 3.21Å; P452-E461 HydrophobicContact CG-CG 3.88Å
453	N	30.1	Very low	34.1	Very low	170 Å²	170	88.5 Å²	88.5	91%	0.909	48%	0.477	S	S	*	.	S	Bend	trans	30.9	15.7	156.4	-77	-7.2	0	0	0	123.1
454	I	33.8	Very low	33.8	Very low	122 Å²	122	94.7 Å²	94.7	63%	0.626	50%	0.501	S	S	*	.			trans	-146.8	33.5	-172.3	-36.8	176.1	0	0	0	112.3	P452 L456	P452-I454 VanDerWaalsContact C-N 3.26Å; P452-I454 PolarHBondContact O-N 3.21Å; I454-L456 PolarHBondContact O-N 3.35Å
455	F	28.2	Very low	34	Very low	112 Å²	112	93.1 Å²	93.1	49%	0.491	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	37.9	-179.8	-96.3	-84.9	0	0	0	114.9	F439 T450	F439-F455 HydrophobicContact CE2-CE1 4.12Å; F439-F455 AromaticContact CZ-CD1 3.92Å; F439-F455 HydrophobicContact CZ-CD1 3.92Å; F439-F455 AromaticContact CZ-CE1 3.82Å; F439-F455 HydrophobicContact CZ-CE1 3.82Å; T450-F455 HydrophobicContact CG2-CD1 4.08Å; T450-F455 HydrophobicContact CG2-CD2 4.03Å; T450-F455 HydrophobicContact CG2-CE1 3.55Å; T450-F455 HydrophobicContact CG2-CE2 3.49Å; T450-F455 VanDerWaalsContact CG2-CE2 3.49Å; T450-F455 HydrophobicContact CG2-CG 4.3Å; T450-F455 HydrophobicContact CG2-CZ 3.23Å; T450-F455 WeakPolarHBondContact O-CD2 3.43Å; T450-F455 WeakPolarHBondContact O-CE2 3.4Å
456	L	32	Very low	34	Very low	169 Å²	169	94.7 Å²	94.7	89%	0.885	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-4.5	167.8	-134.9	87.8	0	0	0	113.4	I454	I454-L456 PolarHBondContact O-N 3.35Å
457	T	34.8	Very low	34.4	Very low	80 Å²	80	91 Å²	91	49%	0.491	48%	0.483	S	S	.	.	S	Bend	trans	-149.4	127.4	-177.3	53.3	0	0	0	0	108.4	V459	T457-V459 VanDerWaalsContact C-N 3.25Å; T457-V459 WeakPolarHBondContact O-CB 3.49Å; T457-V459 PolarHBondContact O-N 3.5Å; T457-V459 WeakPolarHBondContact OG1-CG2 3.46Å
458	G	34.2	Very low	34.9	Very low	50 Å²	50	88.5 Å²	88.5	52%	0.515	46%	0.457	S	S	.	.	S	Bend	trans	-59.6	80.8	177.7	0	0	0	0	0	113
459	V	33.2	Very low	35.5	Very low	69 Å²	69	88.9 Å²	88.9	42%	0.418	46%	0.457	S	S	.	.			trans	-145.9	120.4	-163.6	177.2	0	0	0	0	107.9	T457 R463	T457-V459 VanDerWaalsContact C-N 3.25Å; T457-V459 WeakPolarHBondContact O-CB 3.49Å; T457-V459 PolarHBondContact O-N 3.5Å; T457-V459 WeakPolarHBondContact OG1-CG2 3.46Å; V459-R463 HydrophobicContact CG1-CB 3.95Å; V459-R463 HydrophobicContact CG1-CG 4.07Å
460	D	32.1	Very low	36.1	Very low	50 Å²	50	84.8 Å²	84.8	27%	0.267	43%	0.43	S	S	.	.			trans	-64.6	164.7	178.5	-151.9	-5.3	0	0	0	111.9	S462 R463 R464 A530	D460-S462 PolarHBondContact O-N 3.31Å; D460-R463 WeakPolarHBondContact O-CA 3.26Å; D460-R463 PolarHBondContact O-N 3Å; D460-R464 WeakPolarHBondContact CB-O 3.37Å; D460-A530 WeakPolarHBondContact OD2-CB 3.34Å
461	E	32.4	Very low	37	Very low	140 Å²	140	83.9 Å²	83.9	65%	0.654	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-12.9	-173.4	-70.9	-176.6	151	0	0	114.9	P452	P452-E461 HydrophobicContact CG-CG 3.88Å
462	S	35.9	Very low	37.9	Very low	49 Å²	49	80.7 Å²	80.7	34%	0.343	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	8.1	176.2	63.7	0	0	0	0	115	D460 R464	D460-S462 PolarHBondContact O-N 3.31Å; S462-R464 VanDerWaalsContact C-N 3.31Å; S462-R464 WeakPolarHBondContact OG-CB 3.33Å
463	R	34	Very low	39	Very low	211 Å²	211	82.6 Å²	82.6	80%	0.796	42%	0.415	S	S	*	.	S	Bend	trans	64.8	22.1	-163.6	-63.3	-173.8	178	-175.9	-0.6	116	V459 D460	V459-R463 HydrophobicContact CG1-CB 3.95Å; V459-R463 HydrophobicContact CG1-CG 4.07Å; D460-R463 WeakPolarHBondContact O-CA 3.26Å; D460-R463 PolarHBondContact O-N 3Å
464	R	33.9	Very low	40.4	Very low	131 Å²	131	75.1 Å²	75.1	49%	0.494	38%	0.375	S	S	.	.			trans	-122.4	107.5	-174.7	-61	-171.2	-177.5	-159.3	0	112.4	D460 S462	D460-R464 WeakPolarHBondContact CB-O 3.37Å; S462-R464 VanDerWaalsContact C-N 3.31Å; S462-R464 WeakPolarHBondContact OG-CB 3.33Å
465	C	38.7	Very low	41.6	Very low	25 Å²	25	69.3 Å²	69.3	17%	0.169	35%	0.345	C	S	.	.			trans	-83.1	122.1	171.3	-172	0	0	0	0	108	F467 A468 D469	C465-F467 PolarHBondContact O-N 3.33Å; C465-F467 VanDerWaalsContact O-N 3.09Å; C465-A468 HydrophobicContact CB-CB 3.67Å; C465-A468 CarbonylContact O-C 3.15Å; C465-A468 WeakPolarHBondContact O-CA 3.43Å; C465-A468 WeakPolarHBondContact O-CB 3.49Å; C465-A468 PolarHBondContact O-N 2.89Å; C465-D469 PolarHBondContact O-N 3.46Å
466	F	40.3	Very low	43	Very low	76 Å²	76	69.4 Å²	69.4	33%	0.333	34%	0.343	S	S	.	.	H	α-helix	trans	-47.3	-41.9	175.9	168.7	-95.8	0	0	0	111.7	L331 D469 Y470 T526	L331-F466 HydrophobicContact CD2-CE1 4.34Å; L331-F466 HydrophobicContact CD2-CZ 4.42Å; F466-D469 PolarHBondContact O-N 3.39Å; F466-Y470 WeakPolarHBondContact O-CB 3.24Å; F466-Y470 PolarHBondContact O-N 2.9Å; F466-T526 HydrophobicContact CD1-CG2 4.03Å; F466-T526 HydrophobicContact CE1-CG2 3.68Å; F466-T526 HydrophobicContact CZ-CG2 4.25Å
467	F	47.5	Very low	44.4	Very low	20 Å²	20	64.7 Å²	64.7	9%	0.088	32%	0.321	C	S	.	.	H	α-helix	trans	-67.4	-38.3	177.3	-165.3	-96	0	0	0	113.2	L335 C465 I471 Y493 I567	L335-F467 HydrophobicContact CD1-CD2 4.21Å; L335-F467 HydrophobicContact CD1-CE2 3.26Å; L335-F467 HydrophobicContact CD1-CZ 3.85Å; L335-F467 HydrophobicContact CD2-CD2 4.35Å; L335-F467 HydrophobicContact CD2-CE2 3.38Å; L335-F467 HydrophobicContact CD2-CZ 4.05Å; L335-F467 HydrophobicContact CG-CE2 3.84Å; L335-F467 HydrophobicContact CG-CZ 4.41Å; C465-F467 PolarHBondContact O-N 3.33Å; C465-F467 VanDerWaalsContact O-N 3.09Å; F467-I471 HydrophobicContact CD1-CD1 3.46Å; F467-I471 VanDerWaalsContact CD1-CD1 3.46Å; F467-I471 HydrophobicContact CD1-CG1 4.29Å; F467-I471 HydrophobicContact CE1-CD1 3.22Å; F467-I471 HydrophobicContact CE1-CG1 4.16Å; F467-I471 HydrophobicContact CZ-CD1 4.07Å; F467-I471 WeakPolarHBondContact O-CB 3.17Å; F467-I471 VanDerWaalsContact O-CG1 3.25Å; F467-I471 WeakPolarHBondContact O-CG1 3.47Å; F467-I471 PolarHBondContact O-N 3.25Å; F467-Y493 AromaticContact CD1-CE1 3.47Å; F467-Y493 HydrophobicContact CD1-CE1 3.47Å; F467-Y493 VanDerWaalsContact CD1-CE1 3.47Å; F467-Y493 AromaticContact CD1-CZ 3.98Å; F467-Y493 AromaticContact CE1-CE1 3.77Å; F467-Y493 HydrophobicContact CE1-CE1 3.77Å; F467-I567 HydrophobicContact CE1-CD1 3.38Å; F467-I567 HydrophobicContact CE1-CG1 3.91Å; F467-I567 HydrophobicContact CE1-CG2 4.45Å; F467-I567 HydrophobicContact CZ-CD1 3.41Å; F467-I567 VanDerWaalsContact CZ-CD1 3.41Å; F467-I567 HydrophobicContact CZ-CG1 4.39Å
468	A	45.3	Very low	45.6	Very low	9 Å²	9	62.3 Å²	62.3	7%	0.074	31%	0.31	C	S	.	.	H	α-helix	trans	-69.3	-35.3	172.8	0	0	0	0	0	111.8	C465 I471 R472 V491 Y493	C465-A468 HydrophobicContact CB-CB 3.67Å; C465-A468 CarbonylContact O-C 3.15Å; C465-A468 WeakPolarHBondContact O-CA 3.43Å; C465-A468 WeakPolarHBondContact O-CB 3.49Å; C465-A468 PolarHBondContact O-N 2.89Å; A468-I471 PolarHBondContact O-N 3.44Å; A468-R472 VanDerWaalsContact O-CB 3.32Å; A468-R472 WeakPolarHBondContact O-CB 3.46Å; A468-R472 WeakPolarHBondContact O-CD 3.31Å; A468-R472 WeakPolarHBondContact O-CG 3.34Å; A468-R472 PolarHBondContact O-N 3.39Å; A468-V491 HydrophobicContact CB-CB 4.47Å; A468-V491 HydrophobicContact CB-CG2 4.31Å; A468-Y493 PolarHBondContact N-OH 3.47Å
469	D	46.4	Very low	46.9	Very low	54 Å²	54	60.5 Å²	60.5	29%	0.289	29%	0.288	S	S	.	.	H	α-helix	trans	-70.7	-37.7	176.4	-74.7	-10.1	0	0	0	111.5	C465 F466 R472 L473	C465-D469 PolarHBondContact O-N 3.46Å; F466-D469 PolarHBondContact O-N 3.39Å; D469-R472 WeakPolarHBondContact O-CB 3.22Å; D469-R472 PolarHBondContact O-N 3.46Å; D469-R472 IonicContact OD1-CZ 3.25Å; D469-R472 IonicContact OD1-NH1 2.99Å; D469-R472 PolarHBondContact OD1-NH1 3.17Å; D469-L473 WeakPolarHBondContact O-CB 3.32Å; D469-L473 PolarHBondContact O-N 3.44Å
470	Y	49.4	Very low	48.1	Very low	18 Å²	18	64.2 Å²	64.2	7%	0.071	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-45.8	170.2	177	-108.3	0	0	0	112.1	D328 L331 N332 L335 F466 R472 L473 L474	D328-Y470 PolarHBondContact O-OH 2.96Å; D328-Y470 WeakPolarHBondContact OD1-CE2 3.26Å; L331-Y470 HydrophobicContact CB-CE1 4.4Å; L331-Y470 HydrophobicContact CB-CE2 4.31Å; L331-Y470 HydrophobicContact CD2-CD1 3.92Å; L331-Y470 HydrophobicContact CD2-CD2 3.71Å; L331-Y470 HydrophobicContact CD2-CE1 3.77Å; L331-Y470 HydrophobicContact CD2-CE2 3.58Å; L331-Y470 HydrophobicContact CD2-CG 3.86Å; L331-Y470 HydrophobicContact CG-CD1 4.45Å; L331-Y470 HydrophobicContact CG-CE1 3.92Å; L331-Y470 HydrophobicContact CG-CE2 4.27Å; N332-Y470 PolarHBondContact N-OH 3.49Å; N332-Y470 PolarHBondContact ND2-OH 3.39Å; N332-Y470 PolarHBondContact OD1-OH 2.9Å; L335-Y470 HydrophobicContact CD1-CD1 4.21Å; L335-Y470 HydrophobicContact CD1-CE1 3.85Å; F466-Y470 WeakPolarHBondContact O-CB 3.24Å; F466-Y470 PolarHBondContact O-N 2.9Å; Y470-R472 VanDerWaalsContact C-N 3.28Å; Y470-R472 PolarHBondContact O-N 3.45Å; Y470-L473 WeakPolarHBondContact O-CB 3.44Å; Y470-L473 PolarHBondContact O-N 3.04Å; Y470-L473 VanDerWaalsContact O-N 3.16Å; Y470-L474 HydrophobicContact CD1-CD1 3.93Å; Y470-L474 HydrophobicContact CD2-CD1 4.49Å; Y470-L474 HydrophobicContact CE1-CD1 3.29Å; Y470-L474 HydrophobicContact CE2-CD1 3.93Å; Y470-L474 HydrophobicContact CG-CD1 4.5Å; Y470-L474 PolarHBondContact O-N 3.39Å; Y470-L474 WeakPolarHBondContact OH-CD1 3.21Å
471	I	52	Low	49.1	Very low	0 Å²	0	68.9 Å²	68.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-39	173.3	-76.8	171.4	0	0	0	111.5	F467 A468 L473 L474 A475 V491 I567 I569	F467-I471 HydrophobicContact CD1-CD1 3.46Å; F467-I471 VanDerWaalsContact CD1-CD1 3.46Å; F467-I471 HydrophobicContact CD1-CG1 4.29Å; F467-I471 HydrophobicContact CE1-CD1 3.22Å; F467-I471 HydrophobicContact CE1-CG1 4.16Å; F467-I471 HydrophobicContact CZ-CD1 4.07Å; F467-I471 WeakPolarHBondContact O-CB 3.17Å; F467-I471 VanDerWaalsContact O-CG1 3.25Å; F467-I471 WeakPolarHBondContact O-CG1 3.47Å; F467-I471 PolarHBondContact O-N 3.25Å; A468-I471 PolarHBondContact O-N 3.44Å; I471-L473 VanDerWaalsContact C-N 3.35Å; I471-L474 PolarHBondContact O-N 3.35Å; I471-A475 WeakPolarHBondContact O-CB 3.43Å; I471-A475 PolarHBondContact O-N 3.42Å; I471-V491 HydrophobicContact CB-CG2 4.22Å; I471-V491 HydrophobicContact CD1-CG1 3.77Å; I471-V491 HydrophobicContact CG2-CG1 4.39Å; I471-V491 HydrophobicContact CG2-CG2 3.55Å; I471-I567 HydrophobicContact CD1-CG2 3.62Å; I471-I569 HydrophobicContact CD1-CD1 4.32Å; I471-I569 HydrophobicContact CG1-CD1 4.34Å; I471-I569 HydrophobicContact CG2-CB 4.45Å; I471-I569 HydrophobicContact CG2-CD1 3.58Å; I471-I569 HydrophobicContact CG2-CG1 3.73Å; I471-I569 HydrophobicContact CG2-CG2 3.87Å
472	R	51.7	Low	50.3	Low	91 Å²	91	64.8 Å²	64.8	34%	0.343	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-48.7	174.1	-79.2	162	178.7	168.9	-1.5	110	A468 D469 Y470 L474 A475 Y476 L489	A468-R472 VanDerWaalsContact O-CB 3.32Å; A468-R472 WeakPolarHBondContact O-CB 3.46Å; A468-R472 WeakPolarHBondContact O-CD 3.31Å; A468-R472 WeakPolarHBondContact O-CG 3.34Å; A468-R472 PolarHBondContact O-N 3.39Å; D469-R472 WeakPolarHBondContact O-CB 3.22Å; D469-R472 PolarHBondContact O-N 3.46Å; D469-R472 IonicContact OD1-CZ 3.25Å; D469-R472 IonicContact OD1-NH1 2.99Å; D469-R472 PolarHBondContact OD1-NH1 3.17Å; Y470-R472 VanDerWaalsContact C-N 3.28Å; Y470-R472 PolarHBondContact O-N 3.45Å; R472-L474 VanDerWaalsContact C-N 3.31Å; R472-L474 PolarHBondContact O-N 3.38Å; R472-A475 WeakPolarHBondContact O-CB 3.42Å; R472-A475 PolarHBondContact O-N 2.7Å; R472-Y476 HydrophobicContact CB-CD2 4.4Å; R472-Y476 HydrophobicContact CB-CE2 4.35Å; R472-Y476 WeakPolarHBondContact O-CD2 3.27Å; R472-Y476 PolarHBondContact O-N 3.44Å; R472-L489 HydrophobicContact CB-CD1 4.21Å; R472-L489 HydrophobicContact CG-CD1 3.83Å; R472-L489 HydrophobicContact CG-CD2 3.46Å; R472-L489 VanDerWaalsContact CG-CD2 3.46Å; R472-L489 HydrophobicContact CG-CG 4.17Å
473	L	53.8	Low	51.3	Low	89 Å²	89	70.3 Å²	70.3	47%	0.466	33%	0.328	S	S	.	.	H	α-helix	trans	-57.8	-44.6	177.8	-161.4	114.6	0	0	0	111.3	D469 Y470 I471 A475 Y476 T477	D469-L473 WeakPolarHBondContact O-CB 3.32Å; D469-L473 PolarHBondContact O-N 3.44Å; Y470-L473 WeakPolarHBondContact O-CB 3.44Å; Y470-L473 PolarHBondContact O-N 3.04Å; Y470-L473 VanDerWaalsContact O-N 3.16Å; I471-L473 VanDerWaalsContact C-N 3.35Å; L473-A475 PolarHBondContact O-N 3.24Å; L473-Y476 PolarHBondContact O-N 2.98Å; L473-T477 WeakPolarHBondContact O-CG2 3.32Å; L473-T477 PolarHBondContact O-N 3.18Å; L473-T477 PolarHBondContact O-OG1 3.4Å
474	L	59.2	Low	52.4	Low	12 Å²	12	62 Å²	62	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-42.7	174.6	-112.6	134.7	0	0	0	113.7	N332 Y470 I471 R472 T477 A478 F562	N332-L474 WeakPolarHBondContact ND2-CD1 3.16Å; N332-L474 WeakPolarHBondContact ND2-CD2 3.44Å; N332-L474 WeakPolarHBondContact OD1-CD1 3.09Å; Y470-L474 HydrophobicContact CD1-CD1 3.93Å; Y470-L474 HydrophobicContact CD2-CD1 4.49Å; Y470-L474 HydrophobicContact CE1-CD1 3.29Å; Y470-L474 HydrophobicContact CE2-CD1 3.93Å; Y470-L474 HydrophobicContact CG-CD1 4.5Å; Y470-L474 PolarHBondContact O-N 3.39Å; Y470-L474 WeakPolarHBondContact OH-CD1 3.21Å; I471-L474 PolarHBondContact O-N 3.35Å; R472-L474 VanDerWaalsContact C-N 3.31Å; R472-L474 PolarHBondContact O-N 3.38Å; L474-T477 WeakPolarHBondContact CA-OG1 3.14Å; L474-T477 PolarHBondContact O-N 3.4Å; L474-T477 PolarHBondContact O-OG1 2.96Å; L474-A478 WeakPolarHBondContact O-CB 3.22Å; L474-A478 PolarHBondContact O-N 3.26Å; L474-F562 HydrophobicContact CB-CE2 4.45Å; L474-F562 HydrophobicContact CB-CZ 4.25Å; L474-F562 HydrophobicContact CD2-CD1 3.79Å; L474-F562 HydrophobicContact CD2-CE1 3.6Å; L474-F562 HydrophobicContact CD2-CG 4.4Å; L474-F562 HydrophobicContact CD2-CZ 4.03Å; L474-F562 VanDerWaalsContact O-CZ 3.3Å; L474-F562 WeakPolarHBondContact O-CZ 3.43Å
475	A	58.7	Low	53.6	Low	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-43.3	175.2	0	0	0	0	0	110.9	I471 R472 L473 A478 F479 L489 L558 F562 V571	I471-A475 WeakPolarHBondContact O-CB 3.43Å; I471-A475 PolarHBondContact O-N 3.42Å; R472-A475 WeakPolarHBondContact O-CB 3.42Å; R472-A475 PolarHBondContact O-N 2.7Å; L473-A475 PolarHBondContact O-N 3.24Å; A475-A478 PolarHBondContact O-N 3.44Å; A475-F479 WeakPolarHBondContact O-CD2 3.41Å; A475-F479 PolarHBondContact O-N 3.3Å; A475-L489 HydrophobicContact CB-CD1 3.29Å; A475-L558 HydrophobicContact CB-CD1 3.61Å; A475-F562 HydrophobicContact CB-CE2 4.41Å; A475-V571 HydrophobicContact CB-CG2 4.17Å
476	Y	57.7	Low	54.6	Low	115 Å²	115	60.7 Å²	60.7	45%	0.451	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-43	175.4	-80.3	-68.1	0	0	0	111.9	R472 L473 A478 F479 K480 I486	R472-Y476 HydrophobicContact CB-CD2 4.4Å; R472-Y476 HydrophobicContact CB-CE2 4.35Å; R472-Y476 WeakPolarHBondContact O-CD2 3.27Å; R472-Y476 PolarHBondContact O-N 3.44Å; L473-Y476 PolarHBondContact O-N 2.98Å; Y476-A478 VanDerWaalsContact C-N 3.35Å; Y476-A478 PolarHBondContact O-N 2.96Å; Y476-F479 CarbonylContact O-C 3.44Å; Y476-F479 PolarHBondContact O-N 3.23Å; Y476-K480 PolarHBondContact O-N 3.44Å; Y476-I486 HydrophobicContact CD1-CD1 3.55Å; Y476-I486 HydrophobicContact CE1-CB 4.19Å; Y476-I486 HydrophobicContact CE1-CD1 3.75Å; Y476-I486 HydrophobicContact CE1-CG1 4.45Å; Y476-I486 HydrophobicContact CE1-CG2 4.45Å; Y476-I486 HydrophobicContact CG-CD1 4.26Å
477	T	60.9	Low	55.4	Low	69 Å²	69	62.1 Å²	62.1	42%	0.423	30%	0.303	S	S	.	.	H	α-helix	trans	-66.9	-36.1	177	56.2	0	0	0	0	112.2	L473 L474 F479 K480	L473-T477 WeakPolarHBondContact O-CG2 3.32Å; L473-T477 PolarHBondContact O-N 3.18Å; L473-T477 PolarHBondContact O-OG1 3.4Å; L474-T477 WeakPolarHBondContact CA-OG1 3.14Å; L474-T477 PolarHBondContact O-N 3.4Å; L474-T477 PolarHBondContact O-OG1 2.96Å; T477-F479 PolarHBondContact O-N 3.48Å; T477-K480 WeakPolarHBondContact O-CB 3.46Å; T477-K480 PolarHBondContact O-N 3.44Å
478	A	60.4	Low	55.8	Low	31 Å²	31	64 Å²	64	26%	0.256	32%	0.316	S	S	.	.	H	α-helix	trans	-68.5	-19.6	176.8	0	0	0	0	0	114.5	L474 A475 Y476 F562	L474-A478 WeakPolarHBondContact O-CB 3.22Å; L474-A478 PolarHBondContact O-N 3.26Å; A475-A478 PolarHBondContact O-N 3.44Å; Y476-A478 VanDerWaalsContact C-N 3.35Å; Y476-A478 PolarHBondContact O-N 2.96Å; A478-F562 HydrophobicContact CB-CE1 3.73Å; A478-F562 HydrophobicContact CB-CZ 3.51Å
479	F	61.5	Low	56.4	Low	11 Å²	11	64.8 Å²	64.8	5%	0.048	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	5.8	174.9	-71.9	-66.7	0	0	0	113	A475 Y476 T477 D481 T482 I486 E556 L558 V571 V573	A475-F479 WeakPolarHBondContact O-CD2 3.41Å; A475-F479 PolarHBondContact O-N 3.3Å; Y476-F479 CarbonylContact O-C 3.44Å; Y476-F479 PolarHBondContact O-N 3.23Å; T477-F479 PolarHBondContact O-N 3.48Å; F479-D481 PolarHBondContact O-N 3.44Å; F479-T482 WeakPolarHBondContact CA-OG1 3.45Å; F479-T482 WeakPolarHBondContact CB-OG1 3.45Å; F479-T482 HydrophobicContact CD1-CG2 4.47Å; F479-T482 WeakPolarHBondContact CD1-OG1 3.31Å; F479-T482 PolarHBondContact O-N 3.44Å; F479-T482 PolarHBondContact O-OG1 3.35Å; F479-I486 HydrophobicContact CB-CD1 3.96Å; F479-I486 HydrophobicContact CB-CG1 4.38Å; F479-I486 HydrophobicContact CD2-CD1 3.69Å; F479-I486 HydrophobicContact CD2-CG1 4.19Å; F479-I486 HydrophobicContact CG-CD1 4.17Å; F479-I486 HydrophobicContact CG-CG1 4.47Å; F479-E556 WeakPolarHBondContact CE1-OE2 3.1Å; F479-E556 HydrophobicContact CZ-CB 4.23Å; F479-E556 HydrophobicContact CZ-CG 4.47Å; F479-E556 WeakPolarHBondContact CZ-OE2 3.28Å; F479-L558 HydrophobicContact CD2-CD1 4.29Å; F479-L558 HydrophobicContact CE2-CD1 3.61Å; F479-L558 HydrophobicContact CE2-CD2 3.94Å; F479-L558 HydrophobicContact CE2-CG 4.05Å; F479-L558 HydrophobicContact CZ-CD1 4.33Å; F479-L558 HydrophobicContact CZ-CD2 3.83Å; F479-L558 HydrophobicContact CZ-CG 4.32Å; F479-V571 HydrophobicContact CD2-CG1 4.22Å; F479-V571 HydrophobicContact CE2-CB 3.76Å; F479-V571 HydrophobicContact CE2-CG1 3.61Å; F479-V571 HydrophobicContact CE2-CG2 3.93Å; F479-V571 HydrophobicContact CZ-CB 4.3Å; F479-V571 HydrophobicContact CZ-CG1 4.32Å; F479-V573 HydrophobicContact CD1-CG2 4.48Å; F479-V573 HydrophobicContact CE1-CG2 3.88Å; F479-V573 HydrophobicContact CE2-CG2 4.1Å; F479-V573 HydrophobicContact CZ-CG2 3.67Å
480	K	57.9	Low	56.9	Low	148 Å²	148	65.4 Å²	65.4	64%	0.643	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-35.1	-179.3	-172.8	179.6	177.7	-178.7	0	112.6	Y476 T477	Y476-K480 PolarHBondContact O-N 3.44Å; T477-K480 WeakPolarHBondContact O-CB 3.46Å; T477-K480 PolarHBondContact O-N 3.44Å
481	D	54.2	Low	57.2	Low	148 Å²	148	66.1 Å²	66.1	79%	0.791	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-7.4	-177.6	-59.9	-26.7	0	0	0	113.3	F479	F479-D481 PolarHBondContact O-N 3.44Å
482	T	56.2	Low	57.2	Low	54 Å²	54	68.5 Å²	68.5	33%	0.331	35%	0.347	S	S	.	.	S	Bend	trans	-97.1	120	174.7	55	0	0	0	0	106.6	F479 C484	F479-T482 WeakPolarHBondContact CA-OG1 3.45Å; F479-T482 WeakPolarHBondContact CB-OG1 3.45Å; F479-T482 HydrophobicContact CD1-CG2 4.47Å; F479-T482 WeakPolarHBondContact CD1-OG1 3.31Å; F479-T482 PolarHBondContact O-N 3.44Å; F479-T482 PolarHBondContact O-OG1 3.35Å; T482-C484 PolarHBondContact O-N 3.21Å
483	H	56.7	Low	57.4	Low	165 Å²	165	66.7 Å²	66.7	76%	0.764	34%	0.341	S	S	*	.			trans	-65.6	54.5	175.3	-64.9	-79.1	0	0	0	111.9	G577	H483-G577 WeakPolarHBondContact O-CA 3.41Å; H483-G577 PolarHBondContact O-N 3.43Å
484	C	58.3	Low	57.5	Low	36 Å²	36	64.2 Å²	64.2	24%	0.243	33%	0.331	C	S	.	.			trans	-123.7	122	-161.7	-88	0	0	0	0	106.9	T482 I486 V573	T482-C484 PolarHBondContact O-N 3.21Å; C484-I486 PolarHBondContact O-N 3.46Å; C484-V573 HydrophobicContact CB-CG1 3.37Å
485	E	57.9	Low	56.9	Low	101 Å²	101	68.5 Å²	68.5	47%	0.472	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	117.6	179.2	-177.8	-167.2	-164.8	0	0	109.2	R487 V573 N574	E485-R487 PolarHBondContact O-N 3.4Å; E485-V573 WeakPolarHBondContact O-CA 3.45Å; E485-N574 HydrophobicContact CB-CB 4.24Å; E485-N574 PolarHBondContact N-O 2.98Å; E485-N574 VanDerWaalsContact N-O 3.14Å; E485-N574 PolarHBondContact O-N 2.83Å; E485-N574 PolarHBondContact OE2-ND2 3.12Å
486	I	61	Low	56.5	Low	28 Å²	28	76.7 Å²	76.7	14%	0.144	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	106.8	174.4	-59.3	-179	0	0	0	108.8	Y476 F479 C484 V571	Y476-I486 HydrophobicContact CD1-CD1 3.55Å; Y476-I486 HydrophobicContact CE1-CB 4.19Å; Y476-I486 HydrophobicContact CE1-CD1 3.75Å; Y476-I486 HydrophobicContact CE1-CG1 4.45Å; Y476-I486 HydrophobicContact CE1-CG2 4.45Å; Y476-I486 HydrophobicContact CG-CD1 4.26Å; F479-I486 HydrophobicContact CB-CD1 3.96Å; F479-I486 HydrophobicContact CB-CG1 4.38Å; F479-I486 HydrophobicContact CD2-CD1 3.69Å; F479-I486 HydrophobicContact CD2-CG1 4.19Å; F479-I486 HydrophobicContact CG-CD1 4.17Å; F479-I486 HydrophobicContact CG-CG1 4.47Å; C484-I486 PolarHBondContact O-N 3.46Å; I486-V571 HydrophobicContact CB-CG1 4.39Å; I486-V571 HydrophobicContact CD1-CG1 4.33Å; I486-V571 HydrophobicContact CG1-CG1 4.16Å; I486-V571 HydrophobicContact CG2-CG1 3.59Å
487	R	56.3	Low	56.1	Low	105 Å²	105	71.8 Å²	71.8	40%	0.396	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-41.2	177.7	-70.9	-169.2	172.3	-178.3	5.7	112.3	E485 E572 N574	E485-R487 PolarHBondContact O-N 3.4Å; R487-E572 HydrophobicContact CB-CB 4.39Å; R487-E572 PolarHBondContact N-O 3.46Å; R487-N574 HydrophobicContact CG-CB 4.25Å; R487-N574 VanDerWaalsContact NH2-CG 3.32Å; R487-N574 PolarHBondContact NH2-ND2 3.03Å
488	T	57.1	Low	55.6	Low	61 Å²	61	72.9 Å²	72.9	37%	0.374	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	137.8	-170.9	-14.2	0	0	0	0	110.7	V571 E572	T488-V571 WeakPolarHBondContact O-CA 3.41Å; T488-E572 WeakPolarHBondContact CB-OE2 3.33Å; T488-E572 PolarHBondContact N-O 2.81Å; T488-E572 PolarHBondContact O-N 3.49Å; T488-E572 PolarHBondContact OG1-OE2 3.28Å
489	L	56.4	Low	55.1	Low	24 Å²	24	73.7 Å²	73.7	13%	0.126	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.2	174.8	-177	157.2	0	0	0	109.8	R472 A475 V491 V571	R472-L489 HydrophobicContact CB-CD1 4.21Å; R472-L489 HydrophobicContact CG-CD1 3.83Å; R472-L489 HydrophobicContact CG-CD2 3.46Å; R472-L489 VanDerWaalsContact CG-CD2 3.46Å; R472-L489 HydrophobicContact CG-CG 4.17Å; A475-L489 HydrophobicContact CB-CD1 3.29Å; L489-V491 HydrophobicContact CD2-CG2 3.43Å; L489-V491 VanDerWaalsContact CD2-CG2 3.43Å; L489-V571 HydrophobicContact CD1-CG2 4.15Å; L489-V571 HydrophobicContact CG-CG2 4.19Å
490	T	58.6	Low	54.9	Low	68 Å²	68	74 Å²	74	42%	0.417	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.3	177.7	60.7	0	0	0	0	110.2	I569 R570	T490-I569 WeakPolarHBondContact O-CA 3.37Å; T490-R570 PolarHBondContact N-O 2.97Å; T490-R570 PolarHBondContact O-N 3.17Å; T490-R570 WeakPolarHBondContact OG1-CB 3.39Å; T490-R570 PolarHBondContact OG1-O 2.82Å
491	V	53.7	Low	55	Low	33 Å²	33	67.2 Å²	67.2	20%	0.2	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.7	172.5	-172.9	0	0	0	0	107.4	A468 I471 L489 Y493 I567 K568	A468-V491 HydrophobicContact CB-CB 4.47Å; A468-V491 HydrophobicContact CB-CG2 4.31Å; I471-V491 HydrophobicContact CB-CG2 4.22Å; I471-V491 HydrophobicContact CD1-CG1 3.77Å; I471-V491 HydrophobicContact CG2-CG1 4.39Å; I471-V491 HydrophobicContact CG2-CG2 3.55Å; L489-V491 HydrophobicContact CD2-CG2 3.43Å; L489-V491 VanDerWaalsContact CD2-CG2 3.43Å; V491-Y493 HydrophobicContact CG1-CE1 4.14Å; V491-Y493 HydrophobicContact CG1-CE2 4.3Å; V491-I567 HydrophobicContact CG1-CG2 3.67Å; V491-K568 CarbonylContact C-O 3.56Å; V491-K568 WeakPolarHBondContact CA-O 3.45Å
492	S	53.5	Low	55.3	Low	49 Å²	49	62.6 Å²	62.6	34%	0.343	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.1	177	44.1	0	0	0	0	109.5	I567 K568	S492-I567 CarbonylContact O-C 3.51Å; S492-K568 PolarHBondContact N-O 3.34Å; S492-K568 PolarHBondContact O-N 2.99Å; S492-K568 VanDerWaalsContact OG-CB 3.26Å; S492-K568 WeakPolarHBondContact OG-CB 3.16Å; S492-K568 PolarHBondContact OG-O 3.11Å; S492-K568 VanDerWaalsContact OG-O 3.07Å
493	Y	55	Low	55.6	Low	54 Å²	54	60.1 Å²	60.1	21%	0.212	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	150.5	-177.1	-57.7	-79.2	0	0	0	110.4	F467 A468 V491 L497 Y498 I567	F467-Y493 AromaticContact CD1-CE1 3.47Å; F467-Y493 HydrophobicContact CD1-CE1 3.47Å; F467-Y493 VanDerWaalsContact CD1-CE1 3.47Å; F467-Y493 AromaticContact CD1-CZ 3.98Å; F467-Y493 AromaticContact CE1-CE1 3.77Å; F467-Y493 HydrophobicContact CE1-CE1 3.77Å; A468-Y493 PolarHBondContact N-OH 3.47Å; V491-Y493 HydrophobicContact CG1-CE1 4.14Å; V491-Y493 HydrophobicContact CG1-CE2 4.3Å; Y493-L497 HydrophobicContact CD1-CD2 3.73Å; Y493-L497 HydrophobicContact CG-CD2 4.48Å; Y493-Y498 AromaticContact CD1-CE2 3.85Å; Y493-Y498 HydrophobicContact CD1-CE2 3.85Å; Y493-Y498 HydrophobicContact CD2-CE2 4.26Å; Y493-Y498 HydrophobicContact CE1-CE2 4.02Å; Y493-Y498 WeakPolarHBondContact CE1-OH 3.22Å; Y493-Y498 HydrophobicContact CE2-CE2 4.43Å; Y493-Y498 AromaticContact CG-CE2 3.96Å; Y493-Y498 HydrophobicContact CG-CE2 3.96Å; Y493-I567 HydrophobicContact CD1-CG1 4.12Å; Y493-I567 HydrophobicContact CD1-CG2 4.35Å; Y493-I567 HydrophobicContact CE1-CG1 4.45Å; Y493-I567 HydrophobicContact CE1-CG2 4.36Å
494	S	56.2	Low	56.1	Low	37 Å²	37	52.5 Å²	52.5	26%	0.259	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-60.5	140.2	167	66.4	0	0	0	0	109.5	Y496 L497 K566	S494-Y496 PolarHBondContact O-N 3.42Å; S494-L497 PolarHBondContact O-N 2.81Å; S494-K566 PolarHBondContact N-O 2.96Å
495	P	47.3	Very low	56.5	Low	101 Å²	101	51 Å²	51	66%	0.656	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	135.4	167.2	25.3	-31.3	0	0	0	107.2
496	Y	49.7	Very low	56.8	Low	173 Å²	173	47.3 Å²	47.3	68%	0.678	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	-5.9	-179.4	-40.6	-68.9	0	0	0	119.1	S494 Y498 C499 S500	S494-Y496 PolarHBondContact O-N 3.42Å; Y496-Y498 PolarHBondContact O-N 2.83Å; Y496-C499 PolarHBondContact O-N 2.81Å; Y496-S500 PolarHBondContact O-N 2.7Å; Y496-S500 PolarHBondContact O-OG 2.83Å
497	L	50	Low	57.1	Low	12 Å²	12	47 Å²	47	6%	0.063	24%	0.243	C	C	.	.	I	π-helix	trans	-50.9	-52	-179.2	-173.4	66.1	0	0	0	112.9	Y493 S494 D501 F502 K566 I567	Y493-L497 HydrophobicContact CD1-CD2 3.73Å; Y493-L497 HydrophobicContact CG-CD2 4.48Å; S494-L497 PolarHBondContact O-N 2.81Å; L497-D501 PolarHBondContact O-N 2.89Å; L497-F502 HydrophobicContact CD1-CE2 4.3Å; L497-F502 HydrophobicContact CD2-CE2 4Å; L497-F502 HydrophobicContact CG-CD2 4Å; L497-F502 HydrophobicContact CG-CE2 3.74Å; L497-F502 VanDerWaalsContact O-CD2 3.29Å; L497-F502 WeakPolarHBondContact O-CD2 3.3Å; L497-F502 PolarHBondContact O-N 3.48Å; L497-K566 HydrophobicContact CD1-CB 3.79Å; L497-K566 HydrophobicContact CD1-CD 3.59Å; L497-K566 HydrophobicContact CD1-CG 4.35Å; L497-I567 HydrophobicContact CD2-CG1 4.01Å
498	Y	49.8	Very low	57.9	Low	92 Å²	92	42.6 Å²	42.6	36%	0.361	23%	0.228	S	C	.	.	I	π-helix	trans	-76.4	-23.4	179.9	-71.8	-78.1	0	0	0	113.6	Y493 Y496 F502	Y493-Y498 AromaticContact CD1-CE2 3.85Å; Y493-Y498 HydrophobicContact CD1-CE2 3.85Å; Y493-Y498 HydrophobicContact CD2-CE2 4.26Å; Y493-Y498 HydrophobicContact CE1-CE2 4.02Å; Y493-Y498 WeakPolarHBondContact CE1-OH 3.22Å; Y493-Y498 HydrophobicContact CE2-CE2 4.43Å; Y493-Y498 AromaticContact CG-CE2 3.96Å; Y493-Y498 HydrophobicContact CG-CE2 3.96Å; Y496-Y498 PolarHBondContact O-N 2.83Å; Y498-F502 AromaticContact CD1-CD2 3.86Å; Y498-F502 HydrophobicContact CD1-CD2 3.86Å; Y498-F502 HydrophobicContact CD1-CE2 4.17Å; Y498-F502 HydrophobicContact CE1-CD2 4.18Å; Y498-F502 HydrophobicContact CE1-CE2 4.03Å; Y498-F502 HydrophobicContact CG-CD2 4.35Å
499	C	49.8	Very low	58.3	Low	47 Å²	47	40 Å²	40	32%	0.318	21%	0.212	S	C	.	.	I	π-helix	trans	-82.2	-63.7	-173.8	-56.7	0	0	0	0	110.2	F436 Y496 H503	F436-C499 HydrophobicContact CD1-CB 4.32Å; F436-C499 VanDerWaalsContact CE1-C 3.49Å; F436-C499 HydrophobicContact CE1-CB 3.59Å; F436-C499 WeakPolarHBondContact CE1-O 3.38Å; F436-C499 VanDerWaalsContact CZ-C 3.47Å; F436-C499 HydrophobicContact CZ-CB 4.11Å; F436-C499 WeakPolarHBondContact CZ-O 3.37Å; Y496-C499 PolarHBondContact O-N 2.81Å; C499-H503 VanDerWaalsContact O-CB 3.24Å; C499-H503 WeakPolarHBondContact O-CB 3.46Å
500	S	57.7	Low	58.8	Low	18 Å²	18	43.9 Å²	43.9	13%	0.126	23%	0.233	C	C	.	.	I	π-helix	trans	-86.2	-50.3	-175.4	51	0	0	0	0	112.5	Y496 H503 F504	Y496-S500 PolarHBondContact O-N 2.7Å; Y496-S500 PolarHBondContact O-OG 2.83Å; S500-H503 PolarHBondContact O-N 2.92Å; S500-F504 WeakPolarHBondContact O-CB 2.97Å; S500-F504 PolarHBondContact O-N 3.21Å
501	D	60	Low	59.5	Low	6 Å²	6	42.3 Å²	42.3	3%	0.032	22%	0.221	C	C	.	.	I	π-helix	trans	-78.9	-47.6	-158.4	-55.9	-19.1	0	0	0	111.5	T341 L497 H503 F504 L505 K566	T341-D501 HydrophobicContact CG2-CB 4.39Å; L497-D501 PolarHBondContact O-N 2.89Å; D501-H503 VanDerWaalsContact C-N 3.27Å; D501-H503 PolarHBondContact O-N 2.79Å; D501-F504 PolarHBondContact O-N 3.36Å; D501-L505 WeakPolarHBondContact O-CB 3.48Å; D501-L505 PolarHBondContact O-N 3.37Å; D501-K566 VanDerWaalsContact CG-NZ 3.34Å; D501-K566 IonicContact OD1-NZ 2.77Å; D501-K566 IonicContact OD2-NZ 2.64Å; D501-K566 PolarHBondContact OD2-NZ 3.43Å
502	F	60	Low	60.3	Low	50 Å²	50	40.8 Å²	40.8	22%	0.219	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-33.8	173.2	-86.7	-69.8	0	0	0	112.2	L335 L497 Y498 L505 S506	L335-F502 HydrophobicContact CD2-CZ 4.47Å; L497-F502 HydrophobicContact CD1-CE2 4.3Å; L497-F502 HydrophobicContact CD2-CE2 4Å; L497-F502 HydrophobicContact CG-CD2 4Å; L497-F502 HydrophobicContact CG-CE2 3.74Å; L497-F502 VanDerWaalsContact O-CD2 3.29Å; L497-F502 WeakPolarHBondContact O-CD2 3.3Å; L497-F502 PolarHBondContact O-N 3.48Å; Y498-F502 AromaticContact CD1-CD2 3.86Å; Y498-F502 HydrophobicContact CD1-CD2 3.86Å; Y498-F502 HydrophobicContact CD1-CE2 4.17Å; Y498-F502 HydrophobicContact CE1-CD2 4.18Å; Y498-F502 HydrophobicContact CE1-CE2 4.03Å; Y498-F502 HydrophobicContact CG-CD2 4.35Å; F502-L505 HydrophobicContact CD1-CD2 4.33Å; F502-L505 WeakPolarHBondContact O-CB 3.31Å; F502-L505 PolarHBondContact O-N 2.9Å; F502-S506 PolarHBondContact O-N 3.23Å
503	H	63.2	Low	60.9	Low	3 Å²	3	40 Å²	40	1%	0.014	21%	0.208	C	C	.	.	H	α-helix	trans	-69.7	-47.3	177	-172.8	68.3	0	0	0	111.7	N431 F432 I435 Y445 C499 S500 D501 L505 S506 L507	N431-H503 PolarHBondContact O-CD2 2.89Å; N431-H503 PolarHBondContact O-NE2 2.98Å; F432-H503 AromaticContact CE1-CD2 3.81Å; I435-H503 VanDerWaalsContact CD1-CE1 3.46Å; I435-H503 WeakPolarHBondContact CD1-CE1 3.33Å; Y445-H503 AromaticContact CE2-ND1 3.67Å; Y445-H503 AromaticContact CZ-ND1 3.71Å; Y445-H503 PolarHBondContact OH-ND1 3.33Å; C499-H503 VanDerWaalsContact O-CB 3.24Å; C499-H503 WeakPolarHBondContact O-CB 3.46Å; S500-H503 PolarHBondContact O-N 2.92Å; D501-H503 VanDerWaalsContact C-N 3.27Å; D501-H503 PolarHBondContact O-N 2.79Å; H503-L505 PolarHBondContact O-N 3.26Å; H503-S506 WeakPolarHBondContact O-CB 3.32Å; H503-S506 PolarHBondContact O-N 2.81Å; H503-L507 WeakPolarHBondContact O-CG 3.49Å; H503-L507 PolarHBondContact O-N 3.26Å
504	F	67.7	Low	61.5	Low	4 Å²	4	43.6 Å²	43.6	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-55.9	-40.1	173.8	-180	-99.5	0	0	0	111.7	F41 W345 Y348 S500 D501 L507 L508	F41-F504 HydrophobicContact CE2-CD2 4.42Å; F41-F504 AromaticContact CE2-CE2 3.48Å; F41-F504 HydrophobicContact CE2-CE2 3.48Å; F41-F504 VanDerWaalsContact CE2-CE2 3.48Å; F41-F504 AromaticContact CE2-CZ 3.78Å; F41-F504 HydrophobicContact CE2-CZ 3.78Å; F41-F504 HydrophobicContact CZ-CD2 4.12Å; F41-F504 AromaticContact CZ-CE2 3.53Å; F41-F504 HydrophobicContact CZ-CE2 3.53Å; F41-F504 AromaticContact CZ-CZ 3.83Å; F41-F504 HydrophobicContact CZ-CZ 3.83Å; W345-F504 HydrophobicContact CE3-CB 4.29Å; W345-F504 AromaticContact CE3-CD2 3.48Å; W345-F504 HydrophobicContact CE3-CD2 3.48Å; W345-F504 VanDerWaalsContact CE3-CD2 3.48Å; W345-F504 HydrophobicContact CE3-CE2 4.02Å; W345-F504 HydrophobicContact CE3-CG 4.04Å; W345-F504 AromaticContact CZ3-CD2 3.91Å; W345-F504 HydrophobicContact CZ3-CD2 3.91Å; W345-F504 HydrophobicContact CZ3-CE2 4.5Å; Y348-F504 AromaticContact CD1-CE2 3.95Å; Y348-F504 HydrophobicContact CD1-CE2 3.95Å; Y348-F504 AromaticContact CG-CE2 3.95Å; Y348-F504 HydrophobicContact CG-CE2 3.95Å; S500-F504 WeakPolarHBondContact O-CB 2.97Å; S500-F504 PolarHBondContact O-N 3.21Å; D501-F504 PolarHBondContact O-N 3.36Å; F504-L507 PolarHBondContact O-N 2.91Å; F504-L508 PolarHBondContact O-N 2.94Å
505	L	65.8	Low	61.9	Low	4 Å²	4	42.7 Å²	42.7	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-58.3	-48.5	173.2	-141.3	66.7	0	0	0	113.2	W338 T341 D501 F502 H503 L507 L508 C509	W338-L505 HydrophobicContact CB-CD1 4.38Å; W338-L505 HydrophobicContact CB-CD2 4.16Å; W338-L505 HydrophobicContact CD2-CD1 3.31Å; W338-L505 HydrophobicContact CD2-CD2 3.53Å; W338-L505 HydrophobicContact CD2-CG 3.72Å; W338-L505 HydrophobicContact CE3-CD1 2.99Å; W338-L505 HydrophobicContact CE3-CD2 4.19Å; W338-L505 HydrophobicContact CE3-CG 3.87Å; W338-L505 HydrophobicContact CG-CD1 3.95Å; W338-L505 HydrophobicContact CG-CD2 3.53Å; W338-L505 HydrophobicContact CG-CG 4.22Å; W338-L505 HydrophobicContact CH2-CD1 3.58Å; W338-L505 HydrophobicContact CH2-CD2 4.47Å; W338-L505 HydrophobicContact CH2-CG 3.8Å; W338-L505 HydrophobicContact CZ2-CD1 3.95Å; W338-L505 HydrophobicContact CZ2-CD2 3.98Å; W338-L505 HydrophobicContact CZ2-CG 3.76Å; W338-L505 HydrophobicContact CZ3-CD1 3.13Å; W338-L505 HydrophobicContact CZ3-CG 3.9Å; T341-L505 HydrophobicContact CG2-CD1 3.64Å; D501-L505 WeakPolarHBondContact O-CB 3.48Å; D501-L505 PolarHBondContact O-N 3.37Å; F502-L505 HydrophobicContact CD1-CD2 4.33Å; F502-L505 WeakPolarHBondContact O-CB 3.31Å; F502-L505 PolarHBondContact O-N 2.9Å; H503-L505 PolarHBondContact O-N 3.26Å; L505-L507 VanDerWaalsContact C-N 3.26Å; L505-L507 PolarHBondContact O-N 2.66Å; L505-L508 WeakPolarHBondContact O-CB 3.42Å; L505-L508 PolarHBondContact O-N 3.42Å; L505-L508 VanDerWaalsContact O-N 3.12Å; L505-C509 WeakPolarHBondContact O-CB 3.27Å; L505-C509 PolarHBondContact O-N 2.86Å; L505-C509 PolarHBondContact O-SG 2.94Å
506	S	63.5	Low	62.6	Low	25 Å²	25	38.1 Å²	38.1	18%	0.175	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-38.6	-179.2	-168.9	0	0	0	0	110.7	M446 F502 H503 C509 N510	M446-S506 WeakPolarHBondContact CE-OG 3.49Å; F502-S506 PolarHBondContact O-N 3.23Å; H503-S506 WeakPolarHBondContact O-CB 3.32Å; H503-S506 PolarHBondContact O-N 2.81Å; S506-C509 PolarHBondContact O-N 2.92Å; S506-N510 VanDerWaalsContact O-CB 3.28Å; S506-N510 WeakPolarHBondContact O-CB 3.29Å; S506-N510 PolarHBondContact O-N 2.62Å
507	L	68.6	Low	62.8	Low	20 Å²	20	32.8 Å²	32.8	11%	0.105	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-42.8	173.7	-66.2	172.9	0	0	0	111.5	F41 N431 F432 H503 F504 L505 N510 E511	F41-L507 HydrophobicContact CE1-CB 3.81Å; N431-L507 HydrophobicContact CB-CD1 4.09Å; N431-L507 WeakPolarHBondContact OD1-CD2 3.48Å; F432-L507 HydrophobicContact CE2-CD1 4.21Å; F432-L507 HydrophobicContact CZ-CD1 3.81Å; H503-L507 WeakPolarHBondContact O-CG 3.49Å; H503-L507 PolarHBondContact O-N 3.26Å; F504-L507 PolarHBondContact O-N 2.91Å; L505-L507 VanDerWaalsContact C-N 3.26Å; L505-L507 PolarHBondContact O-N 2.66Å; L507-N510 PolarHBondContact O-N 3.38Å; L507-E511 PolarHBondContact O-N 3.19Å
508	L	72.1	Confident	62.8	Low	14 Å²	14	34 Å²	34	7%	0.073	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-41.1	178.4	-174.3	66.1	0	0	0	112	F41 L174 W338 F504 L505 N512	F41-L508 HydrophobicContact CZ-CB 4.44Å; F41-L508 HydrophobicContact CZ-CD1 4.41Å; L174-L508 HydrophobicContact CD1-CD2 4.36Å; L174-L508 HydrophobicContact CD2-CD2 3.85Å; L174-L508 HydrophobicContact CD2-CG 4.21Å; L174-L508 HydrophobicContact CG-CD2 4.4Å; W338-L508 HydrophobicContact CH2-CD2 4.3Å; W338-L508 HydrophobicContact CZ3-CD2 4.15Å; F504-L508 PolarHBondContact O-N 2.94Å; L505-L508 WeakPolarHBondContact O-CB 3.42Å; L505-L508 PolarHBondContact O-N 3.42Å; L505-L508 VanDerWaalsContact O-N 3.12Å; L508-N512 PolarHBondContact O-N 3.24Å; L508-N512 PolarHBondContact O-ND2 3.11Å
509	C	65.7	Low	62.8	Low	7 Å²	7	29.8 Å²	29.8	5%	0.047	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-40.5	173.2	-73.6	0	0	0	0	111.5	L505 S506 N512 A513	L505-C509 WeakPolarHBondContact O-CB 3.27Å; L505-C509 PolarHBondContact O-N 2.86Å; L505-C509 PolarHBondContact O-SG 2.94Å; S506-C509 PolarHBondContact O-N 2.92Å; C509-N512 CarbonylContact O-C 3.56Å; C509-N512 PolarHBondContact O-N 3.36Å; C509-N512 VanDerWaalsContact O-N 3.15Å; C509-A513 WeakPolarHBondContact O-CA 3.33Å; C509-A513 PolarHBondContact O-N 2.92Å
510	N	67.5	Low	62.5	Low	104 Å²	104	31.5 Å²	31.5	56%	0.556	17%	0.168	S	C	*	.	H	α-helix	trans	-65.7	-42.5	178.8	-165.5	15.4	0	0	0	112.3	S506 L507 N512 A513	S506-N510 VanDerWaalsContact O-CB 3.28Å; S506-N510 WeakPolarHBondContact O-CB 3.29Å; S506-N510 PolarHBondContact O-N 2.62Å; L507-N510 PolarHBondContact O-N 3.38Å; N510-N512 PolarHBondContact O-N 2.91Å; N510-A513 VanDerWaalsContact O-CB 3.27Å; N510-A513 WeakPolarHBondContact O-CB 3.35Å; N510-A513 PolarHBondContact O-N 3Å; N510-A513 VanDerWaalsContact O-N 3.11Å
511	E	73.2	Confident	61.8	Low	36 Å²	36	35.5 Å²	35.5	17%	0.168	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-28.1	172.7	-80	-77.2	-169.5	0	0	113.2	F41 W42 R45 L507	F41-E511 HydrophobicContact CD1-CG 3.74Å; F41-E511 HydrophobicContact CE1-CG 4.27Å; W42-E511 WeakPolarHBondContact CB-OE1 3.42Å; W42-E511 PolarHBondContact N-OE1 3.46Å; R45-E511 IonicContact NH2-OE1 3.73Å; R45-E511 IonicContact NH2-OE2 3.04Å; R45-E511 PolarHBondContact NH2-OE2 3.44Å; L507-E511 PolarHBondContact O-N 3.19Å
512	N	70.4	Confident	61.2	Low	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	23.5	179.8	-66.8	-78.2	0	0	0	112.3	K38 L508 C509 N510 Y514 L515 F516	K38-N512 PolarHBondContact N-OD1 3.14Å; K38-N512 PolarHBondContact O-ND2 3.22Å; L508-N512 PolarHBondContact O-N 3.24Å; L508-N512 PolarHBondContact O-ND2 3.11Å; C509-N512 CarbonylContact O-C 3.56Å; C509-N512 PolarHBondContact O-N 3.36Å; C509-N512 VanDerWaalsContact O-N 3.15Å; N510-N512 PolarHBondContact O-N 2.91Å; N512-Y514 PolarHBondContact O-N 2.91Å; N512-Y514 VanDerWaalsContact O-N 3.09Å; N512-L515 CarbonylContact O-C 3.58Å; N512-L515 WeakPolarHBondContact O-CA 3.33Å; N512-L515 PolarHBondContact O-N 2.8Å; N512-F516 HydrophobicContact CB-CD2 3.63Å; N512-F516 HydrophobicContact CB-CE2 3.9Å; N512-F516 PolarHBondContact O-N 3.34Å
513	A	65.1	Low	60.6	Low	32 Å²	32	37.2 Å²	37.2	26%	0.264	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.8	-173.7	0	0	0	0	0	113.4	C509 N510 L515 F516 S517 I520	C509-A513 WeakPolarHBondContact O-CA 3.33Å; C509-A513 PolarHBondContact O-N 2.92Å; N510-A513 VanDerWaalsContact O-CB 3.27Å; N510-A513 WeakPolarHBondContact O-CB 3.35Å; N510-A513 PolarHBondContact O-N 3Å; N510-A513 VanDerWaalsContact O-N 3.11Å; A513-L515 VanDerWaalsContact C-N 3.26Å; A513-L515 PolarHBondContact O-N 3.36Å; A513-F516 CarbonylContact O-C 3.59Å; A513-F516 VanDerWaalsContact O-C 3.24Å; A513-F516 PolarHBondContact O-N 3.12Å; A513-S517 PolarHBondContact O-N 3.38Å; A513-S517 VanDerWaalsContact O-N 3.11Å; A513-I520 HydrophobicContact CB-CD1 3.8Å
514	Y	69.1	Low	59.4	Low	131 Å²	131	42.3 Å²	42.3	51%	0.514	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.6	174.9	67.6	-78.7	0	0	0	113.5	R36 N512	R36-Y514 PolarHBondContact O-OH 3.03Å; N512-Y514 PolarHBondContact O-N 2.91Å; N512-Y514 VanDerWaalsContact O-N 3.09Å
515	L	64.5	Low	58.2	Low	18 Å²	18	48.5 Å²	48.5	9%	0.094	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-30.4	175	-65.7	170.6	0	0	0	111.3	R36 F37 R178 N512 A513	R36-L515 HydrophobicContact CB-CD1 4.03Å; R36-L515 HydrophobicContact CB-CD2 4.31Å; F37-L515 HydrophobicContact CD1-CB 4.45Å; F37-L515 HydrophobicContact CD1-CD1 3.44Å; F37-L515 VanDerWaalsContact CD1-CD1 3.44Å; F37-L515 HydrophobicContact CE1-CB 3.87Å; F37-L515 HydrophobicContact CE1-CD1 3.6Å; F37-L515 HydrophobicContact CE1-CG 4.31Å; F37-L515 HydrophobicContact CG-CD1 4.04Å; F37-L515 HydrophobicContact CZ-CD1 4.36Å; R178-L515 VanDerWaalsContact NH1-C 3.33Å; R178-L515 VanDerWaalsContact NH1-CA 3.27Å; R178-L515 VanDerWaalsContact NH1-CB 3.34Å; R178-L515 PolarHBondContact NH1-O 3.47Å; N512-L515 CarbonylContact O-C 3.58Å; N512-L515 WeakPolarHBondContact O-CA 3.33Å; N512-L515 PolarHBondContact O-N 2.8Å; A513-L515 VanDerWaalsContact C-N 3.26Å; A513-L515 PolarHBondContact O-N 3.36Å
516	F	61.9	Low	57.3	Low	5 Å²	5	50.3 Å²	50.3	2%	0.022	25%	0.248	C	C	.	.			trans	-118.8	62	-179.7	-60	-80.1	0	0	0	111.9	F37 L174 V177 R178 L181 N512 A513 D518 S519	F37-F516 AromaticContact CD1-CE2 3.86Å; F37-F516 HydrophobicContact CD1-CE2 3.86Å; F37-F516 HydrophobicContact CD1-CZ 4.25Å; F37-F516 HydrophobicContact CE1-CD2 4.13Å; F37-F516 HydrophobicContact CE1-CE1 4.31Å; F37-F516 AromaticContact CE1-CE2 3.25Å; F37-F516 HydrophobicContact CE1-CE2 3.25Å; F37-F516 AromaticContact CE1-CZ 3.36Å; F37-F516 HydrophobicContact CE1-CZ 3.36Å; F37-F516 HydrophobicContact CZ-CE2 4.19Å; F37-F516 AromaticContact CZ-CZ 3.85Å; F37-F516 HydrophobicContact CZ-CZ 3.85Å; L174-F516 HydrophobicContact CB-CZ 4.08Å; L174-F516 HydrophobicContact CD2-CE2 3.78Å; L174-F516 HydrophobicContact CD2-CZ 3.78Å; L174-F516 WeakPolarHBondContact O-CZ 3.24Å; V177-F516 HydrophobicContact CB-CE1 4.43Å; V177-F516 HydrophobicContact CG1-CE1 3.96Å; R178-F516 HydrophobicContact CB-CD1 4.35Å; R178-F516 HydrophobicContact CB-CE1 3.59Å; R178-F516 HydrophobicContact CB-CZ 4.19Å; R178-F516 HydrophobicContact CG-CE1 4.3Å; L181-F516 HydrophobicContact CD1-CD1 4.14Å; N512-F516 HydrophobicContact CB-CD2 3.63Å; N512-F516 HydrophobicContact CB-CE2 3.9Å; N512-F516 PolarHBondContact O-N 3.34Å; A513-F516 CarbonylContact O-C 3.59Å; A513-F516 VanDerWaalsContact O-C 3.24Å; A513-F516 PolarHBondContact O-N 3.12Å; F516-D518 PolarHBondContact O-N 3.47Å; F516-D518 VanDerWaalsContact O-N 3.08Å; F516-S519 WeakPolarHBondContact CB-OG 3.08Å; F516-S519 PolarHBondContact O-N 3.38Å; F516-S519 PolarHBondContact O-OG 3.4Å
517	S	53.8	Low	56.2	Low	60 Å²	60	51.2 Å²	51.2	42%	0.42	25%	0.249	S	C	.	.	H	α-helix	trans	-50.1	-38.8	171.9	57.1	0	0	0	0	110.7	A513 H521	A513-S517 PolarHBondContact O-N 3.38Å; A513-S517 VanDerWaalsContact O-N 3.11Å; S517-H521 PolarHBondContact O-CD2 3.45Å
518	D	49.5	Very low	54.8	Low	37 Å²	37	56 Å²	56	20%	0.198	27%	0.266	C	S	.	.	H	α-helix	trans	-83.1	-15.2	-171.6	-55.8	-13.3	0	0	0	112.4	R185 F516 H521 I522	R185-D518 WeakPolarHBondContact CD-OD2 3.4Å; R185-D518 IonicContact CZ-OD2 3.09Å; R185-D518 IonicContact NE-OD2 3.86Å; R185-D518 IonicContact NH1-OD1 3.34Å; R185-D518 PolarHBondContact NH1-OD1 2.9Å; R185-D518 VanDerWaalsContact NH1-OD1 3.09Å; R185-D518 IonicContact NH1-OD2 3.31Å; R185-D518 PolarHBondContact NH1-OD2 2.92Å; F516-D518 PolarHBondContact O-N 3.47Å; F516-D518 VanDerWaalsContact O-N 3.08Å; D518-H521 CarbonylContact O-C 3.48Å; D518-H521 PolarHBondContact O-N 3.4Å; D518-I522 WeakPolarHBondContact O-CB 3.36Å; D518-I522 WeakPolarHBondContact O-CD1 3.39Å; D518-I522 WeakPolarHBondContact O-CG1 3.31Å; D518-I522 PolarHBondContact O-N 2.78Å
519	S	49.2	Very low	53.2	Low	5 Å²	5	61.3 Å²	61.3	4%	0.035	29%	0.286	C	S	.	.	H	α-helix	trans	-69.3	-40.7	178	63.8	0	0	0	0	112.5	F516 H521 I522 H523	F516-S519 WeakPolarHBondContact CB-OG 3.08Å; F516-S519 PolarHBondContact O-N 3.38Å; F516-S519 PolarHBondContact O-OG 3.4Å; S519-H521 VanDerWaalsContact C-N 3.3Å; S519-I522 PolarHBondContact O-N 3.41Å; S519-H523 PolarHBondContact O-N 3.23Å
520	I	44.6	Very low	51.9	Low	83 Å²	83	61.8 Å²	61.8	43%	0.426	29%	0.29	S	S	.	.	H	α-helix	trans	-66.5	-39.5	173.7	-62	170.7	0	0	0	108.9	A513 H523 Y524	A513-I520 HydrophobicContact CB-CD1 3.8Å; I520-H523 PolarHBondContact O-N 2.97Å; I520-Y524 WeakPolarHBondContact O-CB 3.42Å; I520-Y524 PolarHBondContact O-N 3.17Å
521	H	42.5	Very low	50.4	Low	101 Å²	101	62.7 Å²	62.7	47%	0.468	29%	0.286	S	S	.	.	H	α-helix	trans	-66.1	-36	174.1	-75	-63.5	0	0	0	112.8	S517 D518 S519 Y524 W525	S517-H521 PolarHBondContact O-CD2 3.45Å; D518-H521 CarbonylContact O-C 3.48Å; D518-H521 PolarHBondContact O-N 3.4Å; S519-H521 VanDerWaalsContact C-N 3.3Å; H521-Y524 CarbonylContact O-C 3.24Å; H521-Y524 PolarHBondContact O-N 2.98Å; H521-W525 WeakPolarHBondContact O-CA 3.34Å; H521-W525 WeakPolarHBondContact O-CB 3.45Å; H521-W525 PolarHBondContact O-N 2.95Å
522	I	47.6	Very low	48.5	Very low	30 Å²	30	65 Å²	65	15%	0.154	30%	0.299	C	S	.	.	H	α-helix	trans	-70.8	-37.9	177.1	-71.9	161.4	0	0	0	110.3	L181 D518 S519 W525 T526	L181-I522 HydrophobicContact CD1-CD1 4.11Å; L181-I522 HydrophobicContact CD2-CD1 3.16Å; L181-I522 HydrophobicContact CG-CD1 4.15Å; D518-I522 WeakPolarHBondContact O-CB 3.36Å; D518-I522 WeakPolarHBondContact O-CD1 3.39Å; D518-I522 WeakPolarHBondContact O-CG1 3.31Å; D518-I522 PolarHBondContact O-N 2.78Å; S519-I522 PolarHBondContact O-N 3.41Å; I522-W525 PolarHBondContact O-N 3.46Å; I522-T526 HydrophobicContact CG2-CG2 4.33Å; I522-T526 VanDerWaalsContact O-CB 3.3Å; I522-T526 WeakPolarHBondContact O-CB 3.3Å; I522-T526 WeakPolarHBondContact O-CG2 3.14Å; I522-T526 PolarHBondContact O-N 2.88Å; I522-T526 PolarHBondContact O-OG1 3.19Å
523	H	46.5	Very low	46.9	Very low	62 Å²	62	68.8 Å²	68.8	29%	0.287	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-48.4	170.9	-163.7	69	0	0	0	111.3	Y445 S519 I520 W525 T526 E527	Y445-H523 AromaticContact CE1-NE2 3.84Å; S519-H523 PolarHBondContact O-N 3.23Å; I520-H523 PolarHBondContact O-N 2.97Å; H523-W525 PolarHBondContact O-N 3.05Å; H523-T526 WeakPolarHBondContact CA-OG1 3.42Å; H523-T526 PolarHBondContact O-OG1 2.99Å; H523-E527 VanDerWaalsContact O-CB 3.31Å; H523-E527 WeakPolarHBondContact O-CB 3.29Å; H523-E527 PolarHBondContact O-N 3.34Å
524	Y	38.9	Very low	45.5	Very low	110 Å²	110	69.1 Å²	69.1	43%	0.431	33%	0.325	S	S	.	.	H	α-helix	trans	-68	-34.1	177	-176.5	-100	0	0	0	113.4	I520 H521 R528	I520-Y524 WeakPolarHBondContact O-CB 3.42Å; I520-Y524 PolarHBondContact O-N 3.17Å; H521-Y524 CarbonylContact O-C 3.24Å; H521-Y524 PolarHBondContact O-N 2.98Å; Y524-R528 HydrophobicContact CE1-CB 4.43Å; Y524-R528 WeakPolarHBondContact O-CB 3.24Å; Y524-R528 PolarHBondContact O-N 3.29Å
525	W	42.5	Very low	43.8	Very low	134 Å²	134	70.6 Å²	70.6	51%	0.508	33%	0.334	S	S	.	.	H	α-helix	trans	-73.6	-43.5	178.3	-95.3	93.5	0	0	0	110.3	H521 I522 H523 E527 R528 Y529	H521-W525 WeakPolarHBondContact O-CA 3.34Å; H521-W525 WeakPolarHBondContact O-CB 3.45Å; H521-W525 PolarHBondContact O-N 2.95Å; I522-W525 PolarHBondContact O-N 3.46Å; H523-W525 PolarHBondContact O-N 3.05Å; W525-E527 VanDerWaalsContact C-N 3.26Å; W525-E527 PolarHBondContact O-N 2.89Å; W525-R528 PolarHBondContact O-N 2.81Å; W525-Y529 AromaticContact CE3-CD2 3.81Å; W525-Y529 HydrophobicContact CE3-CD2 3.81Å; W525-Y529 HydrophobicContact CE3-CE2 4.32Å; W525-Y529 AromaticContact CZ3-CD2 3.8Å; W525-Y529 HydrophobicContact CZ3-CD2 3.8Å; W525-Y529 AromaticContact CZ3-CE2 3.9Å; W525-Y529 HydrophobicContact CZ3-CE2 3.9Å; W525-Y529 VanDerWaalsContact O-CB 3.24Å; W525-Y529 WeakPolarHBondContact O-CB 3.3Å; W525-Y529 PolarHBondContact O-N 2.82Å
526	T	46.6	Very low	42.3	Very low	43 Å²	43	81 Å²	81	26%	0.264	37%	0.372	S	S	.	.	H	α-helix	trans	-60	-39.7	173.2	49.6	0	0	0	0	111	F466 I522 H523 A530	F466-T526 HydrophobicContact CD1-CG2 4.03Å; F466-T526 HydrophobicContact CE1-CG2 3.68Å; F466-T526 HydrophobicContact CZ-CG2 4.25Å; I522-T526 HydrophobicContact CG2-CG2 4.33Å; I522-T526 VanDerWaalsContact O-CB 3.3Å; I522-T526 WeakPolarHBondContact O-CB 3.3Å; I522-T526 WeakPolarHBondContact O-CG2 3.14Å; I522-T526 PolarHBondContact O-N 2.88Å; I522-T526 PolarHBondContact O-OG1 3.19Å; H523-T526 WeakPolarHBondContact CA-OG1 3.42Å; H523-T526 PolarHBondContact O-OG1 2.99Å; T526-A530 VanDerWaalsContact O-CB 3.27Å; T526-A530 WeakPolarHBondContact O-CB 3.33Å; T526-A530 PolarHBondContact O-N 3.26Å; T526-A530 VanDerWaalsContact O-N 3.15Å
527	E	41.4	Very low	40.9	Very low	43 Å²	43	90.6 Å²	90.6	20%	0.201	41%	0.414	C	S	.	.	H	α-helix	trans	-68.9	-42.3	174.1	-168.3	-163.6	145.6	0	0	113.4	V448 H523 W525 A530 R531	V448-E527 HydrophobicContact CG2-CG 4.17Å; V448-E527 WeakPolarHBondContact CG2-OE1 3.31Å; H523-E527 VanDerWaalsContact O-CB 3.31Å; H523-E527 WeakPolarHBondContact O-CB 3.29Å; H523-E527 PolarHBondContact O-N 3.34Å; W525-E527 VanDerWaalsContact C-N 3.26Å; W525-E527 PolarHBondContact O-N 2.89Å; E527-A530 WeakPolarHBondContact O-CB 3.49Å; E527-R531 WeakPolarHBondContact O-CG 3.27Å; E527-R531 PolarHBondContact O-N 3.16Å; E527-R531 VanDerWaalsContact O-N 3.08Å; E527-R531 IonicContact OE1-CZ 3.23Å; E527-R531 IonicContact OE1-NE 3.23Å; E527-R531 IonicContact OE1-NH1 3Å; E527-R531 IonicContact OE1-NH2 3.35Å; E527-R531 PolarHBondContact OE1-NH2 3.4Å
528	R	37.3	Very low	39.8	Very low	121 Å²	121	96.7 Å²	96.7	46%	0.457	44%	0.435	S	S	.	.	H	α-helix	trans	-72.3	-38.9	179.7	-176.3	179.9	-179.9	172.5	1.9	112.2	Y524 W525 R531 L532	Y524-R528 HydrophobicContact CE1-CB 4.43Å; Y524-R528 WeakPolarHBondContact O-CB 3.24Å; Y524-R528 PolarHBondContact O-N 3.29Å; W525-R528 PolarHBondContact O-N 2.81Å; R528-R531 PolarHBondContact O-N 2.86Å; R528-L532 HydrophobicContact CG-CD1 3.95Å; R528-L532 HydrophobicContact CG-CG 4.47Å; R528-L532 WeakPolarHBondContact O-CB 3.31Å; R528-L532 WeakPolarHBondContact O-CG 3.42Å; R528-L532 PolarHBondContact O-N 2.84Å
529	Y	40	Very low	38.7	Very low	125 Å²	125	105 Å²	105	49%	0.49	46%	0.464	S	S	.	.	H	α-helix	trans	-67.4	-40.2	176.7	-132.5	-93.2	0	0	0	110.3	W525 R531 L532 C533	W525-Y529 AromaticContact CE3-CD2 3.81Å; W525-Y529 HydrophobicContact CE3-CD2 3.81Å; W525-Y529 HydrophobicContact CE3-CE2 4.32Å; W525-Y529 AromaticContact CZ3-CD2 3.8Å; W525-Y529 HydrophobicContact CZ3-CD2 3.8Å; W525-Y529 AromaticContact CZ3-CE2 3.9Å; W525-Y529 HydrophobicContact CZ3-CE2 3.9Å; W525-Y529 VanDerWaalsContact O-CB 3.24Å; W525-Y529 WeakPolarHBondContact O-CB 3.3Å; W525-Y529 PolarHBondContact O-N 2.82Å; Y529-R531 PolarHBondContact O-N 3.18Å; Y529-L532 PolarHBondContact O-N 3.35Å; Y529-C533 WeakPolarHBondContact O-CB 3.44Å; Y529-C533 PolarHBondContact O-N 2.94Å; Y529-C533 PolarHBondContact O-SG 3.44Å
530	A	38.2	Very low	37.9	Very low	17 Å²	17	109 Å²	109	14%	0.14	49%	0.489	C	S	.	.	H	α-helix	trans	-54	-51.5	169.1	0	0	0	0	0	111.6	D460 T526 E527 L532 C533 C534	D460-A530 WeakPolarHBondContact OD2-CB 3.34Å; T526-A530 VanDerWaalsContact O-CB 3.27Å; T526-A530 WeakPolarHBondContact O-CB 3.33Å; T526-A530 PolarHBondContact O-N 3.26Å; T526-A530 VanDerWaalsContact O-N 3.15Å; E527-A530 WeakPolarHBondContact O-CB 3.49Å; A530-L532 PolarHBondContact O-N 2.94Å; A530-C533 PolarHBondContact O-N 3.01Å; A530-C534 PolarHBondContact O-N 2.9Å; A530-C534 PolarHBondContact O-SG 3.23Å
531	R	34.9	Very low	37.1	Very low	123 Å²	123	114.8 Å²	114.8	46%	0.464	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-34.4	176	-71.6	-178	-174.7	161.5	8	114.7	E527 R528 Y529 C534	E527-R531 WeakPolarHBondContact O-CG 3.27Å; E527-R531 PolarHBondContact O-N 3.16Å; E527-R531 VanDerWaalsContact O-N 3.08Å; E527-R531 IonicContact OE1-CZ 3.23Å; E527-R531 IonicContact OE1-NE 3.23Å; E527-R531 IonicContact OE1-NH1 3Å; E527-R531 IonicContact OE1-NH2 3.35Å; E527-R531 PolarHBondContact OE1-NH2 3.4Å; R528-R531 PolarHBondContact O-N 2.86Å; Y529-R531 PolarHBondContact O-N 3.18Å; R531-C534 WeakPolarHBondContact O-CB 3.43Å; R531-C534 PolarHBondContact O-N 2.79Å
532	L	34.2	Very low	36.5	Very low	86 Å²	86	119.4 Å²	119.4	45%	0.45	52%	0.521	S	S	.	.	H	α-helix	trans	-72.6	-35.1	178.8	-79.4	165.1	0	0	0	111.7	R528 Y529 A530 C534 K535	R528-L532 HydrophobicContact CG-CD1 3.95Å; R528-L532 HydrophobicContact CG-CG 4.47Å; R528-L532 WeakPolarHBondContact O-CB 3.31Å; R528-L532 WeakPolarHBondContact O-CG 3.42Å; R528-L532 PolarHBondContact O-N 2.84Å; Y529-L532 PolarHBondContact O-N 3.35Å; A530-L532 PolarHBondContact O-N 2.94Å; L532-C534 PolarHBondContact O-N 2.78Å; L532-K535 PolarHBondContact O-N 2.84Å
533	C	36.6	Very low	35.6	Very low	79 Å²	79	121.7 Å²	121.7	53%	0.534	54%	0.544	S	S	.	.	H	α-helix	trans	-66.2	-15.6	170.7	-69.1	0	0	0	0	113.1	Y529 A530 K535	Y529-C533 WeakPolarHBondContact O-CB 3.44Å; Y529-C533 PolarHBondContact O-N 2.94Å; Y529-C533 PolarHBondContact O-SG 3.44Å; A530-C533 PolarHBondContact O-N 3.01Å; C533-K535 VanDerWaalsContact C-N 3.31Å; C533-K535 PolarHBondContact O-N 2.83Å
534	C	36.6	Very low	34.8	Very low	39 Å²	39	125.4 Å²	125.4	26%	0.264	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.5	-3.4	174.6	-64.5	0	0	0	0	114.8	A530 R531 L532 R536	A530-C534 PolarHBondContact O-N 2.9Å; A530-C534 PolarHBondContact O-SG 3.23Å; R531-C534 WeakPolarHBondContact O-CB 3.43Å; R531-C534 PolarHBondContact O-N 2.79Å; L532-C534 PolarHBondContact O-N 2.78Å; C534-R536 PolarHBondContact O-N 3.13Å
535	K	32.5	Very low	34.6	Very low	162 Å²	162	132.3 Å²	132.3	70%	0.704	59%	0.59	S	S	*	*	S	Bend	trans	-76.6	96.5	169.7	-76.6	-171.4	177.3	-177.1	0	110.1	L532 C533 F537	L532-K535 PolarHBondContact O-N 2.84Å; C533-K535 VanDerWaalsContact C-N 3.31Å; C533-K535 PolarHBondContact O-N 2.83Å; K535-F537 PolarHBondContact O-N 3.35Å; K535-F537 VanDerWaalsContact O-N 3.08Å
536	R	33.2	Very low	34.1	Very low	237 Å²	237	137.5 Å²	137.5	89%	0.894	61%	0.61	S	S	*	*			trans	-5.9	92	170.7	-74.8	-179.6	174.7	174.4	-1.5	115.4	C534	C534-R536 PolarHBondContact O-N 3.13Å
537	F	33.2	Very low	33.6	Very low	206 Å²	206	138.9 Å²	138.9	90%	0.904	63%	0.632	S	S	*	*			trans	-97.7	121.7	143.9	-80.4	-81.5	0	0	0	108.6	K535 R539	K535-F537 PolarHBondContact O-N 3.35Å; K535-F537 VanDerWaalsContact O-N 3.08Å; F537-R539 PolarHBondContact O-N 2.05Å
538	H	30.2	Very low	33.2	Very low	187 Å²	187	142.4 Å²	142.4	87%	0.866	66%	0.662	S	S	*	*			trans	-80.8	97.4	-173.6	-140.9	30.8	0	0	0	109.7
539	R	26.9	Very low	33.5	Very low	211 Å²	211	142.1 Å²	142.1	80%	0.796	67%	0.668	S	S	*	*			trans	57.7	144.9	169.3	-72	-176.2	174.5	-175.5	0.1	118.2	F537	F537-R539 PolarHBondContact O-N 2.05Å
540	P	31.1	Very low	33.7	Very low	89 Å²	89	139.9 Å²	139.9	58%	0.578	68%	0.684	S	S	*	*				-134.2	153	120.7	31.4	-16.7	0	0	0	114.5	W542	P540-W542 PolarHBondContact O-N 2.04Å
541	Y	28.9	Very low	34.1	Very low	206 Å²	206	147.9 Å²	147.9	81%	0.808	72%	0.718	S	S	*	*			trans	-64.9	106.9	-177.6	-80.7	-107.1	0	0	0	113.6
542	W	29.6	Very low	35	Very low	198 Å²	198	145.2 Å²	145.2	75%	0.75	71%	0.712	S	S	*	*			trans	-132.8	30.1	167.7	-70.5	62.3	0	0	0	111.6	P314 P540	P314-W542 HydrophobicContact CG-CH2 4.39Å; P540-W542 PolarHBondContact O-N 2.04Å
543	A	29.1	Very low	36	Very low	77 Å²	77	144 Å²	144	64%	0.636	71%	0.709	S	S	*	*	S	Bend	trans	-116.2	108.7	176.1	0	0	0	0	0	110.5
544	I	29.6	Very low	37.3	Very low	141 Å²	141	147 Å²	147	72%	0.723	71%	0.709	S	S	*	*			trans	73.1	92.7	140.3	-48.6	160.1	0	0	0	115.4	R546	I544-R546 HydrophobicContact CG2-CG 4.22Å
545	R	32.8	Very low	38.6	Very low	255 Å²	255	148.7 Å²	148.7	96%	0.962	72%	0.72	S	S	*	*			trans	-117.6	114.3	139.1	-84.3	-168.9	179.3	-169.1	1.9	109.4
546	R	32.7	Very low	40.3	Very low	243 Å²	243	143 Å²	143	92%	0.917	70%	0.696	S	S	*	*			trans	-65.1	137.5	175	-66.9	173.1	174.3	170.4	-3.1	109.9	I544	I544-R546 HydrophobicContact CG2-CG 4.22Å
547	G	36.6	Very low	42	Very low	71 Å²	71	135.3 Å²	135.3	73%	0.732	67%	0.672	S	S	*	*			trans	-174.3	82.6	171.4	0	0	0	0	0	112.7	L549	G547-L549 PolarHBondContact O-N 3.45Å
548	S	33.3	Very low	43.6	Very low	118 Å²	118	125.6 Å²	125.6	83%	0.825	63%	0.63	S	S	*	*	S	Bend	trans	32	83.5	147.7	176.7	0	0	0	0	118.8
549	L	43.3	Very low	45.1	Very low	114 Å²	114	117.1 Å²	117.1	60%	0.597	59%	0.592	S	S	*	*			trans	-165	71.7	151.7	-102.4	136.4	0	0	0	108.1	G547 H551 L552	G547-L549 PolarHBondContact O-N 3.45Å; L549-H551 VanDerWaalsContact C-N 3.26Å; L549-H551 PolarHBondContact O-N 3.4Å; L549-L552 HydrophobicContact CD2-CD1 4.3Å
550	G	43.5	Very low	46.8	Very low	79 Å²	79	115 Å²	115	81%	0.814	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	13.8	-171.9	0	0	0	0	0	115.8
551	H	46.6	Very low	48.4	Very low	184 Å²	184	116.9 Å²	116.9	85%	0.852	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	2.5	-168.2	-114.2	-72.7	0	0	0	116	L549	L549-H551 VanDerWaalsContact C-N 3.26Å; L549-H551 PolarHBondContact O-N 3.4Å
552	L	54.1	Low	49.8	Very low	67 Å²	67	108.9 Å²	108.9	35%	0.351	56%	0.561	S	S	.	*			trans	-134.5	19.3	-174.2	-78.5	127.9	0	0	0	114.2	L549 F576	L549-L552 HydrophobicContact CD2-CD1 4.3Å; L552-F576 HydrophobicContact CD1-CE2 4.07Å; L552-F576 HydrophobicContact CD2-CD2 4.38Å; L552-F576 HydrophobicContact CD2-CE2 3.92Å
553	V	55.7	Low	51.3	Low	62 Å²	62	104 Å²	104	38%	0.376	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	116.5	176.1	-176.5	0	0	0	0	109.3	E572 V573	V553-E572 HydrophobicContact CG1-CB 4.05Å; V553-E572 HydrophobicContact CG1-CG 4.46Å; V553-V573 WeakPolarHBondContact CA-O 3.46Å
554	R	63.3	Low	52.8	Low	141 Å²	141	101 Å²	101	53%	0.532	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.2	173.3	-174	175.5	172.9	163.2	-7.7	109.5	E556 E572 V573	R554-E556 HydrophobicContact CG-CG 4.05Å; R554-E556 IonicContact CZ-OE1 2.94Å; R554-E556 IonicContact NE-OE1 3.16Å; R554-E556 PolarHBondContact NE-OE1 2.86Å; R554-E556 IonicContact NH1-OE1 3.9Å; R554-E556 IonicContact NH2-OE1 3.91Å; R554-E556 PolarHBondContact NH2-OE1 3.44Å; R554-E572 CarbonylContact O-C 3.59Å; R554-E572 WeakPolarHBondContact O-CA 3.48Å; R554-V573 PolarHBondContact N-O 2.81Å; R554-V573 PolarHBondContact O-N 3.15Å
555	C	65.1	Low	54.3	Low	74 Å²	74	98.4 Å²	98.4	50%	0.5	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.8	169.6	-169.3	0	0	0	0	108.4	V571	C555-V571 CarbonylContact C-O 3.58Å; C555-V571 WeakPolarHBondContact CA-O 3.42Å
556	E	67.5	Low	55.6	Low	43 Å²	43	87.2 Å²	87.2	20%	0.201	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129	175.1	-62	-152.9	149.9	0	0	110.6	F479 R554 L558 R570 V571	F479-E556 WeakPolarHBondContact CE1-OE2 3.1Å; F479-E556 HydrophobicContact CZ-CB 4.23Å; F479-E556 HydrophobicContact CZ-CG 4.47Å; F479-E556 WeakPolarHBondContact CZ-OE2 3.28Å; R554-E556 HydrophobicContact CG-CG 4.05Å; R554-E556 IonicContact CZ-OE1 2.94Å; R554-E556 IonicContact NE-OE1 3.16Å; R554-E556 PolarHBondContact NE-OE1 2.86Å; R554-E556 IonicContact NH1-OE1 3.9Å; R554-E556 IonicContact NH2-OE1 3.91Å; R554-E556 PolarHBondContact NH2-OE1 3.44Å; E556-L558 PolarHBondContact O-N 2.87Å; E556-R570 WeakPolarHBondContact O-CA 3.49Å; E556-V571 PolarHBondContact N-O 3.43Å; E556-V571 PolarHBondContact O-N 3.45Å
557	D	68.8	Low	56.8	Low	75 Å²	75	76.2 Å²	76.2	40%	0.401	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	102	170.7	-162.4	-25.4	0	0	0	108.7	S559 K568 I569	D557-S559 PolarHBondContact O-N 3.05Å; D557-S559 WeakPolarHBondContact OD1-CB 3.06Å; D557-S559 PolarHBondContact OD1-N 3.35Å; D557-S559 PolarHBondContact OD1-OG 3.32Å; D557-K568 WeakPolarHBondContact OD2-CE 3.35Å; D557-K568 IonicContact OD2-NZ 3.15Å; D557-I569 CarbonylContact C-O 3.48Å; D557-I569 WeakPolarHBondContact CA-O 3.44Å
558	L	66.6	Low	58	Low	2 Å²	2	76.7 Å²	76.7	1%	0.01	42%	0.417	C	S	.	.	H	α-helix	trans	-78.7	-5.9	179.2	-68	-174.3	0	0	0	112.7	A475 F479 E556 M560 K561 F562 I569 V571	A475-L558 HydrophobicContact CB-CD1 3.61Å; F479-L558 HydrophobicContact CD2-CD1 4.29Å; F479-L558 HydrophobicContact CE2-CD1 3.61Å; F479-L558 HydrophobicContact CE2-CD2 3.94Å; F479-L558 HydrophobicContact CE2-CG 4.05Å; F479-L558 HydrophobicContact CZ-CD1 4.33Å; F479-L558 HydrophobicContact CZ-CD2 3.83Å; F479-L558 HydrophobicContact CZ-CG 4.32Å; E556-L558 PolarHBondContact O-N 2.87Å; L558-M560 PolarHBondContact O-N 3.12Å; L558-K561 HydrophobicContact CD2-CB 4.36Å; L558-K561 HydrophobicContact CD2-CD 3.77Å; L558-K561 PolarHBondContact O-N 2.9Å; L558-K561 VanDerWaalsContact O-N 3.12Å; L558-F562 HydrophobicContact CB-CD2 3.67Å; L558-F562 HydrophobicContact CB-CE2 3.57Å; L558-F562 HydrophobicContact CB-CZ 4.43Å; L558-F562 HydrophobicContact CD1-CD2 4.33Å; L558-F562 HydrophobicContact CD1-CE2 3.4Å; L558-F562 HydrophobicContact CD1-CZ 3.81Å; L558-F562 HydrophobicContact CG-CE2 4.09Å; L558-F562 WeakPolarHBondContact O-CB 3.08Å; L558-F562 WeakPolarHBondContact O-CD2 3.28Å; L558-F562 PolarHBondContact O-N 3.03Å; L558-I569 HydrophobicContact CB-CB 4.2Å; L558-I569 HydrophobicContact CB-CG2 3.99Å; L558-I569 HydrophobicContact CD1-CG2 4.39Å; L558-I569 PolarHBondContact N-O 3.39Å; L558-V571 HydrophobicContact CD1-CB 4.47Å; L558-V571 HydrophobicContact CD1-CG2 3.46Å; L558-V571 VanDerWaalsContact CD1-CG2 3.46Å; L558-V571 HydrophobicContact CG-CG2 3.87Å
559	S	63.1	Low	59.5	Low	9 Å²	9	71.1 Å²	71.1	6%	0.063	38%	0.378	C	S	.	.	H	α-helix	trans	-61.6	-43.5	-178.3	-73.1	0	0	0	0	113.3	D557 K561 F562 N563 F564 I567 K568 I569	D557-S559 PolarHBondContact O-N 3.05Å; D557-S559 WeakPolarHBondContact OD1-CB 3.06Å; D557-S559 PolarHBondContact OD1-N 3.35Å; D557-S559 PolarHBondContact OD1-OG 3.32Å; S559-K561 VanDerWaalsContact C-N 3.32Å; S559-F562 CarbonylContact O-C 3.53Å; S559-N563 CarbonylContact O-C 3.56Å; S559-N563 WeakPolarHBondContact O-CA 3.43Å; S559-N563 PolarHBondContact O-N 2.79Å; S559-F564 PolarHBondContact O-N 2.88Å; S559-I567 WeakPolarHBondContact CB-O 3.03Å; S559-I567 PolarHBondContact OG-O 3.16Å; S559-K568 WeakPolarHBondContact OG-CA 3.45Å; S559-I569 PolarHBondContact OG-N 3.25Å
560	M	62.6	Low	60.5	Low	168 Å²	168	70.8 Å²	70.8	83%	0.828	37%	0.369	S	S	*	.	H	α-helix	trans	-69.5	-34	175.2	-68.2	-160.9	-177.5	0	0	111.6	L558 F562 N563	L558-M560 PolarHBondContact O-N 3.12Å; M560-F562 VanDerWaalsContact C-N 3.35Å; M560-N563 PolarHBondContact O-N 3.01Å; M560-N563 PolarHBondContact O-OD1 2.73Å
561	K	64.5	Low	61.6	Low	127 Å²	127	67 Å²	67	55%	0.552	33%	0.33	S	S	*	.	H	α-helix	trans	-67.1	-36.6	178.5	-161.7	178.9	-176	-177	0	112	L558 S559	L558-K561 HydrophobicContact CD2-CB 4.36Å; L558-K561 HydrophobicContact CD2-CD 3.77Å; L558-K561 PolarHBondContact O-N 2.9Å; L558-K561 VanDerWaalsContact O-N 3.12Å; S559-K561 VanDerWaalsContact C-N 3.32Å
562	F	58.6	Low	62.6	Low	38 Å²	38	61.9 Å²	61.9	17%	0.167	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	7.9	175	-62.2	-43.9	0	0	0	113.7	L474 A475 A478 L558 S559 M560 F564 I569	L474-F562 HydrophobicContact CB-CE2 4.45Å; L474-F562 HydrophobicContact CB-CZ 4.25Å; L474-F562 HydrophobicContact CD2-CD1 3.79Å; L474-F562 HydrophobicContact CD2-CE1 3.6Å; L474-F562 HydrophobicContact CD2-CG 4.4Å; L474-F562 HydrophobicContact CD2-CZ 4.03Å; L474-F562 VanDerWaalsContact O-CZ 3.3Å; L474-F562 WeakPolarHBondContact O-CZ 3.43Å; A475-F562 HydrophobicContact CB-CE2 4.41Å; A478-F562 HydrophobicContact CB-CE1 3.73Å; A478-F562 HydrophobicContact CB-CZ 3.51Å; L558-F562 HydrophobicContact CB-CD2 3.67Å; L558-F562 HydrophobicContact CB-CE2 3.57Å; L558-F562 HydrophobicContact CB-CZ 4.43Å; L558-F562 HydrophobicContact CD1-CD2 4.33Å; L558-F562 HydrophobicContact CD1-CE2 3.4Å; L558-F562 HydrophobicContact CD1-CZ 3.81Å; L558-F562 HydrophobicContact CG-CE2 4.09Å; L558-F562 WeakPolarHBondContact O-CB 3.08Å; L558-F562 WeakPolarHBondContact O-CD2 3.28Å; L558-F562 PolarHBondContact O-N 3.03Å; S559-F562 CarbonylContact O-C 3.53Å; M560-F562 VanDerWaalsContact C-N 3.35Å; F562-F564 HydrophobicContact CB-CD2 3.38Å; F562-F564 HydrophobicContact CB-CE2 3.49Å; F562-F564 VanDerWaalsContact CB-CE2 3.49Å; F562-F564 HydrophobicContact CB-CG 4.43Å; F562-F564 HydrophobicContact CD2-CD2 4.42Å; F562-F564 HydrophobicContact CD2-CE2 4.33Å; F562-F564 HydrophobicContact CG-CD2 4.33Å; F562-F564 HydrophobicContact CG-CE2 4.18Å; F562-F564 PolarHBondContact O-N 2.78Å; F562-F564 VanDerWaalsContact O-N 3.13Å; F562-I569 HydrophobicContact CD2-CD1 3.76Å; F562-I569 HydrophobicContact CE2-CD1 4.44Å
563	N	60.7	Low	63	Low	97 Å²	97	58.8 Å²	58.8	52%	0.519	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	22	-176	-68.2	-46.7	0	0	0	115.2	Q339 S559 M560 S565	Q339-N563 PolarHBondContact NE2-O 2.87Å; Q339-N563 PolarHBondContact OE1-O 3.36Å; S559-N563 CarbonylContact O-C 3.56Å; S559-N563 WeakPolarHBondContact O-CA 3.43Å; S559-N563 PolarHBondContact O-N 2.79Å; M560-N563 PolarHBondContact O-N 3.01Å; M560-N563 PolarHBondContact O-OD1 2.73Å; N563-S565 PolarHBondContact O-N 3.1Å
564	F	59.9	Low	63.3	Low	12 Å²	12	56.6 Å²	56.6	5%	0.053	28%	0.276	C	S	.	.			trans	-79	113.4	176.1	-67.6	-63.5	0	0	0	111.6	L335 S559 F562 I567 I569	L335-F564 HydrophobicContact CB-CE1 4.16Å; S559-F564 PolarHBondContact O-N 2.88Å; F562-F564 HydrophobicContact CB-CD2 3.38Å; F562-F564 HydrophobicContact CB-CE2 3.49Å; F562-F564 VanDerWaalsContact CB-CE2 3.49Å; F562-F564 HydrophobicContact CB-CG 4.43Å; F562-F564 HydrophobicContact CD2-CD2 4.42Å; F562-F564 HydrophobicContact CD2-CE2 4.33Å; F562-F564 HydrophobicContact CG-CD2 4.33Å; F562-F564 HydrophobicContact CG-CE2 4.18Å; F562-F564 PolarHBondContact O-N 2.78Å; F562-F564 VanDerWaalsContact O-N 3.13Å; F564-I567 HydrophobicContact CB-CB 4.05Å; F564-I567 HydrophobicContact CB-CD1 4.42Å; F564-I567 WeakPolarHBondContact CB-O 3.44Å; F564-I567 HydrophobicContact CD1-CD1 3.65Å; F564-I567 HydrophobicContact CE1-CD1 4.15Å; F564-I567 HydrophobicContact CG-CB 4.4Å; F564-I567 HydrophobicContact CG-CD1 4.13Å; F564-I569 HydrophobicContact CD2-CD1 3.44Å; F564-I569 VanDerWaalsContact CD2-CD1 3.44Å; F564-I569 HydrophobicContact CE2-CD1 3.86Å; F564-I569 HydrophobicContact CG-CD1 4.41Å
565	S	61.9	Low	63.1	Low	87 Å²	87	54.1 Å²	54.1	61%	0.608	27%	0.273	S	S	*	.	S	Bend	trans	-83.3	-32.3	176.4	59.2	0	0	0	0	113.8	N563	N563-S565 PolarHBondContact O-N 3.1Å
566	K	59.1	Low	62.6	Low	20 Å²	20	56.7 Å²	56.7	9%	0.087	28%	0.276	C	S	.	.	S	Bend	trans	-102.5	-2.9	-175.3	-61.4	-172.3	176.6	-167.8	0	114.3	T341 D342 S494 L497 D501	T341-K566 PolarHBondContact OG1-NZ 3.45Å; D342-K566 VanDerWaalsContact CG-CE 3.44Å; D342-K566 IonicContact OD1-NZ 3.91Å; D342-K566 PolarHBondContact OD1-NZ 3.06Å; D342-K566 WeakPolarHBondContact OD2-CE 3.26Å; D342-K566 IonicContact OD2-NZ 3.53Å; D342-K566 PolarHBondContact OD2-NZ 2.75Å; D342-K566 VanDerWaalsContact OD2-NZ 3.17Å; S494-K566 PolarHBondContact N-O 2.96Å; L497-K566 HydrophobicContact CD1-CB 3.79Å; L497-K566 HydrophobicContact CD1-CD 3.59Å; L497-K566 HydrophobicContact CD1-CG 4.35Å; D501-K566 VanDerWaalsContact CG-NZ 3.34Å; D501-K566 IonicContact OD1-NZ 2.77Å; D501-K566 IonicContact OD2-NZ 2.64Å; D501-K566 PolarHBondContact OD2-NZ 3.43Å
567	I	58.4	Low	61.5	Low	13 Å²	13	56.4 Å²	56.4	7%	0.067	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	120.2	-178.7	-55.5	139	0	0	0	107.7	F467 I471 V491 S492 Y493 L497 S559 F564 I569	F467-I567 HydrophobicContact CE1-CD1 3.38Å; F467-I567 HydrophobicContact CE1-CG1 3.91Å; F467-I567 HydrophobicContact CE1-CG2 4.45Å; F467-I567 HydrophobicContact CZ-CD1 3.41Å; F467-I567 VanDerWaalsContact CZ-CD1 3.41Å; F467-I567 HydrophobicContact CZ-CG1 4.39Å; I471-I567 HydrophobicContact CD1-CG2 3.62Å; V491-I567 HydrophobicContact CG1-CG2 3.67Å; S492-I567 CarbonylContact O-C 3.51Å; Y493-I567 HydrophobicContact CD1-CG1 4.12Å; Y493-I567 HydrophobicContact CD1-CG2 4.35Å; Y493-I567 HydrophobicContact CE1-CG1 4.45Å; Y493-I567 HydrophobicContact CE1-CG2 4.36Å; L497-I567 HydrophobicContact CD2-CG1 4.01Å; S559-I567 WeakPolarHBondContact CB-O 3.03Å; S559-I567 PolarHBondContact OG-O 3.16Å; F564-I567 HydrophobicContact CB-CB 4.05Å; F564-I567 HydrophobicContact CB-CD1 4.42Å; F564-I567 WeakPolarHBondContact CB-O 3.44Å; F564-I567 HydrophobicContact CD1-CD1 3.65Å; F564-I567 HydrophobicContact CE1-CD1 4.15Å; F564-I567 HydrophobicContact CG-CB 4.4Å; F564-I567 HydrophobicContact CG-CD1 4.13Å; I567-I569 HydrophobicContact CG2-CD1 4.5Å; I567-I569 HydrophobicContact CG2-CG1 4.01Å
568	K	61.5	Low	60	Low	81 Å²	81	65.6 Å²	65.6	35%	0.352	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.7	177.2	-179	171.4	-156.9	176.6	0	110.7	V491 S492 D557 S559 R570	V491-K568 CarbonylContact C-O 3.56Å; V491-K568 WeakPolarHBondContact CA-O 3.45Å; S492-K568 PolarHBondContact N-O 3.34Å; S492-K568 PolarHBondContact O-N 2.99Å; S492-K568 VanDerWaalsContact OG-CB 3.26Å; S492-K568 WeakPolarHBondContact OG-CB 3.16Å; S492-K568 PolarHBondContact OG-O 3.11Å; S492-K568 VanDerWaalsContact OG-O 3.07Å; D557-K568 WeakPolarHBondContact OD2-CE 3.35Å; D557-K568 IonicContact OD2-NZ 3.15Å; S559-K568 WeakPolarHBondContact OG-CA 3.45Å; K568-R570 HydrophobicContact CG-CG 4.21Å
569	I	64.3	Low	59.7	Low	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	105.4	-173.8	-54.1	168	0	0	0	107	I471 T490 D557 L558 S559 F562 F564 I567 V571	I471-I569 HydrophobicContact CD1-CD1 4.32Å; I471-I569 HydrophobicContact CG1-CD1 4.34Å; I471-I569 HydrophobicContact CG2-CB 4.45Å; I471-I569 HydrophobicContact CG2-CD1 3.58Å; I471-I569 HydrophobicContact CG2-CG1 3.73Å; I471-I569 HydrophobicContact CG2-CG2 3.87Å; T490-I569 WeakPolarHBondContact O-CA 3.37Å; D557-I569 CarbonylContact C-O 3.48Å; D557-I569 WeakPolarHBondContact CA-O 3.44Å; L558-I569 HydrophobicContact CB-CB 4.2Å; L558-I569 HydrophobicContact CB-CG2 3.99Å; L558-I569 HydrophobicContact CD1-CG2 4.39Å; L558-I569 PolarHBondContact N-O 3.39Å; S559-I569 PolarHBondContact OG-N 3.25Å; F562-I569 HydrophobicContact CD2-CD1 3.76Å; F562-I569 HydrophobicContact CE2-CD1 4.44Å; F564-I569 HydrophobicContact CD2-CD1 3.44Å; F564-I569 VanDerWaalsContact CD2-CD1 3.44Å; F564-I569 HydrophobicContact CE2-CD1 3.86Å; F564-I569 HydrophobicContact CG-CD1 4.41Å; I567-I569 HydrophobicContact CG2-CD1 4.5Å; I567-I569 HydrophobicContact CG2-CG1 4.01Å; I569-V571 HydrophobicContact CG2-CG2 4.37Å
570	R	65.7	Low	59.5	Low	108 Å²	108	71.9 Å²	71.9	41%	0.408	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.6	174.7	-43.4	-176.4	-162.4	-169.5	2.1	110	T490 E556 K568	T490-R570 PolarHBondContact N-O 2.97Å; T490-R570 PolarHBondContact O-N 3.17Å; T490-R570 WeakPolarHBondContact OG1-CB 3.39Å; T490-R570 PolarHBondContact OG1-O 2.82Å; E556-R570 WeakPolarHBondContact O-CA 3.49Å; K568-R570 HydrophobicContact CG-CG 4.21Å
571	V	66.6	Low	59.3	Low	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.1	177.4	-171.8	0	0	0	0	108.6	A475 F479 I486 T488 L489 C555 E556 L558 I569 V573	A475-V571 HydrophobicContact CB-CG2 4.17Å; F479-V571 HydrophobicContact CD2-CG1 4.22Å; F479-V571 HydrophobicContact CE2-CB 3.76Å; F479-V571 HydrophobicContact CE2-CG1 3.61Å; F479-V571 HydrophobicContact CE2-CG2 3.93Å; F479-V571 HydrophobicContact CZ-CB 4.3Å; F479-V571 HydrophobicContact CZ-CG1 4.32Å; I486-V571 HydrophobicContact CB-CG1 4.39Å; I486-V571 HydrophobicContact CD1-CG1 4.33Å; I486-V571 HydrophobicContact CG1-CG1 4.16Å; I486-V571 HydrophobicContact CG2-CG1 3.59Å; T488-V571 WeakPolarHBondContact O-CA 3.41Å; L489-V571 HydrophobicContact CD1-CG2 4.15Å; L489-V571 HydrophobicContact CG-CG2 4.19Å; C555-V571 CarbonylContact C-O 3.58Å; C555-V571 WeakPolarHBondContact CA-O 3.42Å; E556-V571 PolarHBondContact N-O 3.43Å; E556-V571 PolarHBondContact O-N 3.45Å; L558-V571 HydrophobicContact CD1-CB 4.47Å; L558-V571 HydrophobicContact CD1-CG2 3.46Å; L558-V571 VanDerWaalsContact CD1-CG2 3.46Å; L558-V571 HydrophobicContact CG-CG2 3.87Å; I569-V571 HydrophobicContact CG2-CG2 4.37Å; V571-V573 HydrophobicContact CB-CG2 4.35Å; V571-V573 HydrophobicContact CG1-CG2 3.75Å
572	E	66	Low	59	Low	76 Å²	76	63.1 Å²	63.1	36%	0.355	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.9	170.1	-68.9	177.9	-177.3	0	0	108	R487 T488 V553 R554	R487-E572 HydrophobicContact CB-CB 4.39Å; R487-E572 PolarHBondContact N-O 3.46Å; T488-E572 WeakPolarHBondContact CB-OE2 3.33Å; T488-E572 PolarHBondContact N-O 2.81Å; T488-E572 PolarHBondContact O-N 3.49Å; T488-E572 PolarHBondContact OG1-OE2 3.28Å; V553-E572 HydrophobicContact CG1-CB 4.05Å; V553-E572 HydrophobicContact CG1-CG 4.46Å; R554-E572 CarbonylContact O-C 3.59Å; R554-E572 WeakPolarHBondContact O-CA 3.48Å
573	V	63.4	Low	59	Low	2 Å²	2	64.6 Å²	64.6	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.4	-174.2	-174.1	0	0	0	0	109.3	F479 C484 E485 V553 R554 V571	F479-V573 HydrophobicContact CD1-CG2 4.48Å; F479-V573 HydrophobicContact CE1-CG2 3.88Å; F479-V573 HydrophobicContact CE2-CG2 4.1Å; F479-V573 HydrophobicContact CZ-CG2 3.67Å; C484-V573 HydrophobicContact CB-CG1 3.37Å; E485-V573 WeakPolarHBondContact O-CA 3.45Å; V553-V573 WeakPolarHBondContact CA-O 3.46Å; R554-V573 PolarHBondContact N-O 2.81Å; R554-V573 PolarHBondContact O-N 3.15Å; V571-V573 HydrophobicContact CB-CG2 4.35Å; V571-V573 HydrophobicContact CG1-CG2 3.75Å
574	N	63.1	Low	58.9	Low	16 Å²	16	62.5 Å²	62.5	9%	0.086	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.5	171.6	-172.6	24.8	0	0	0	108.7	E485 R487 F576	E485-N574 HydrophobicContact CB-CB 4.24Å; E485-N574 PolarHBondContact N-O 2.98Å; E485-N574 VanDerWaalsContact N-O 3.14Å; E485-N574 PolarHBondContact O-N 2.83Å; E485-N574 PolarHBondContact OE2-ND2 3.12Å; R487-N574 HydrophobicContact CG-CB 4.25Å; R487-N574 VanDerWaalsContact NH2-CG 3.32Å; R487-N574 PolarHBondContact NH2-ND2 3.03Å; N574-F576 PolarHBondContact O-N 3.16Å; N574-F576 VanDerWaalsContact O-N 3.17Å
575	D	58.1	Low	58.8	Low	88 Å²	88	66.1 Å²	66.1	47%	0.471	33%	0.326	S	S	.	.	S	Bend	trans	-72.2	-4.4	-173.1	-73.3	-21.5	0	0	0	114
576	F	53.6	Low	58.6	Low	129 Å²	129	64.5 Å²	64.5	57%	0.566	30%	0.304	S	S	*	.			trans	-96.1	100.9	173.3	-80.9	-81.3	0	0	0	110.9	L552 N574	L552-F576 HydrophobicContact CD1-CE2 4.07Å; L552-F576 HydrophobicContact CD2-CD2 4.38Å; L552-F576 HydrophobicContact CD2-CE2 3.92Å; N574-F576 PolarHBondContact O-N 3.16Å; N574-F576 VanDerWaalsContact O-N 3.17Å
577	G	44.4	Very low	58.6	Low	36 Å²	36	68.2 Å²	68.2	37%	0.371	32%	0.322	S	S	.	.			trans	-72.4	136.7	162.4	0	0	0	0	0	110.7	H483	H483-G577 WeakPolarHBondContact O-CA 3.41Å; H483-G577 PolarHBondContact O-N 3.43Å
578	F	37.9	Very low	58.6	Low	269 Å²	269	73.2 Å²	73.2	100%	1.18	35%	0.345	S	S	*	.			trans	-91.2	0	158.7	-77.8	-78	0	0	0	109.5

Retrieved 578 of 578 residues in 250.2 ms (Link to these results)

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