A0A077ZFN8_TRITR Loading...

SID1 transmembrane family

AlphaFold DB , UniProt , Accession A0A077ZFN8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 746 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	42.8	Very low	51.3	Low	240 Å²	240	160.5 Å²	160.5	100%	1.182	76%	0.763	S	S	*	*				0	98.5	0	-78.3	168.7	159.9	0	0	108.1
2	S	45.3	Very low	51.3	Low	120 Å²	120	154.3 Å²	154.3	84%	0.839	75%	0.748	S	S	*	*			trans	-89.9	102.7	-171.7	51.4	0	0	0	0	110.3
3	H	53.1	Low	51.4	Low	180 Å²	180	149.4 Å²	149.4	83%	0.833	73%	0.732	S	S	*	*			trans	-69.2	136.2	174	-86.5	-76.4	0	0	0	111
4	P	52.8	Low	51.2	Low	84 Å²	84	146.3 Å²	146.3	55%	0.545	72%	0.719	S	S	.	*			trans	-79.7	129.7	-167.6	30.5	-32	0	0	0	111.7	W6	P4-W6 PolarHBondContact O-N 3.16Å
5	R	55.5	Low	51	Low	236 Å²	236	144.1 Å²	144.1	89%	0.891	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	4.2	174.5	-76.8	178.5	167.2	176.7	-5.2	115.6
6	W	55.5	Low	50.4	Low	223 Å²	223	139.1 Å²	139.1	85%	0.845	70%	0.7	S	S	*	*	H	α-helix	trans	-85.9	-14	-173.6	-74.3	90.4	0	0	0	114.6	P4	P4-W6 PolarHBondContact O-N 3.16Å
7	F	50.9	Low	49.7	Very low	175 Å²	175	141.1 Å²	141.1	77%	0.768	70%	0.703	S	S	*	*	H	α-helix	trans	-81.7	-26.5	178.5	-110.7	-91.7	0	0	0	114.2
8	Y	51.1	Low	49.1	Very low	197 Å²	197	143.6 Å²	143.6	77%	0.773	71%	0.709	S	S	*	*	H	α-helix	trans	-78.1	-25.3	177.7	-79	-85.7	0	0	0	113.1	C12	Y8-C12 PolarHBondContact O-N 2.81Å
9	G	53.1	Low	48.2	Very low	43 Å²	43	145 Å²	145	44%	0.443	71%	0.714	S	S	.	*	H	α-helix	trans	-71.4	-35.7	177.5	0	0	0	0	0	113.4	V13	G9-V13 VanDerWaalsContact O-CG2 3.27Å; G9-V13 WeakPolarHBondContact O-CG2 3.15Å; G9-V13 PolarHBondContact O-N 2.63Å
10	F	53.1	Low	47.5	Very low	154 Å²	154	142.1 Å²	142.1	68%	0.675	71%	0.714	S	S	*	*	H	α-helix	trans	-79.5	-29.1	-176.5	-129.8	-96.8	0	0	0	112.9	L14	F10-L14 HydrophobicContact CD1-CD1 4.05Å; F10-L14 HydrophobicContact CE1-CD1 4.45Å; F10-L14 PolarHBondContact O-N 3.49Å
11	L	51.6	Low	47.3	Very low	114 Å²	114	142 Å²	142	60%	0.597	71%	0.714	S	S	*	*	H	α-helix	trans	-74.5	-35	174.3	-148	80.1	0	0	0	111.8	L14 L15	L11-L14 PolarHBondContact O-N 3.12Å; L11-L15 HydrophobicContact CG-CD1 4.39Å; L11-L15 WeakPolarHBondContact O-CB 3.16Å; L11-L15 WeakPolarHBondContact O-CG 3.21Å; L11-L15 PolarHBondContact O-N 3.15Å
12	C	51.4	Low	47.4	Very low	86 Å²	86	138.8 Å²	138.8	58%	0.581	70%	0.696	S	S	*	*	H	α-helix	trans	-68.4	-32.2	172.3	-80.8	0	0	0	0	113	Y8 A16	Y8-C12 PolarHBondContact O-N 2.81Å; C12-A16 WeakPolarHBondContact O-CB 3.4Å; C12-A16 PolarHBondContact O-N 3.14Å
13	V	52.4	Low	47.8	Very low	90 Å²	90	135 Å²	135	55%	0.545	67%	0.67	S	S	.	*	H	α-helix	trans	-78	-24.9	177.9	173.3	0	0	0	0	112.5	G9	G9-V13 VanDerWaalsContact O-CG2 3.27Å; G9-V13 WeakPolarHBondContact O-CG2 3.15Å; G9-V13 PolarHBondContact O-N 2.63Å
14	L	48.2	Very low	48.4	Very low	106 Å²	106	132.4 Å²	132.4	56%	0.555	66%	0.658	S	S	*	*	H	α-helix	trans	-85.8	-27.8	173.4	-81.4	160.2	0	0	0	113.2	F10 L11	F10-L14 HydrophobicContact CD1-CD1 4.05Å; F10-L14 HydrophobicContact CE1-CD1 4.45Å; F10-L14 PolarHBondContact O-N 3.49Å; L11-L14 PolarHBondContact O-N 3.12Å
15	L	48	Very low	49.7	Very low	113 Å²	113	132.1 Å²	132.1	59%	0.592	65%	0.652	S	S	*	*	H	α-helix	trans	-78.5	-35.8	170.2	-74.3	165.2	0	0	0	112.2	L11 K17 F18	L11-L15 HydrophobicContact CG-CD1 4.39Å; L11-L15 WeakPolarHBondContact O-CB 3.16Å; L11-L15 WeakPolarHBondContact O-CG 3.21Å; L11-L15 PolarHBondContact O-N 3.15Å; L15-K17 PolarHBondContact O-N 3.19Å; L15-F18 PolarHBondContact O-N 3.47Å; L15-F18 VanDerWaalsContact O-N 3.12Å
16	A	42.2	Very low	51.2	Low	65 Å²	65	122.2 Å²	122.2	54%	0.537	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	-11.2	172.8	0	0	0	0	0	114	C12	C12-A16 WeakPolarHBondContact O-CB 3.4Å; C12-A16 PolarHBondContact O-N 3.14Å
17	K	38	Very low	52.8	Low	172 Å²	172	116 Å²	116	75%	0.748	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-0.5	171.8	-87.8	-170	173.5	-172.6	0	114.1	L15	L15-K17 PolarHBondContact O-N 3.19Å
18	F	38.7	Very low	54.6	Low	187 Å²	187	110.5 Å²	110.5	82%	0.82	58%	0.58	S	S	*	*	S	Bend	trans	-98.7	-4.6	170.7	-115.4	-90.1	0	0	0	113.3	L15	L15-F18 PolarHBondContact O-N 3.47Å; L15-F18 VanDerWaalsContact O-N 3.12Å
19	E	32.9	Very low	56.4	Low	170 Å²	170	108.2 Å²	108.2	79%	0.794	57%	0.571	S	S	*	*	S	Bend	trans	-118	70.2	179.8	-77.8	176.1	147.7	0	0	111.1
20	A	34.2	Very low	58	Low	86 Å²	86	107.9 Å²	107.9	71%	0.711	56%	0.557	S	S	*	*			trans	-158.5	51.5	161.9	0	0	0	0	0	110.5	H22	A20-H22 VanDerWaalsContact C-N 3.28Å; A20-H22 PolarHBondContact O-N 3.36Å; A20-H22 VanDerWaalsContact O-N 3.09Å
21	I	42.4	Very low	59.6	Low	142 Å²	142	105.2 Å²	105.2	73%	0.728	55%	0.549	S	S	*	.			trans	-68.6	104	150.9	-62.2	174.9	0	0	0	103.6	S23	I21-S23 VanDerWaalsContact C-N 3.31Å; I21-S23 PolarHBondContact O-N 2.96Å
22	H	45.4	Very low	61.5	Low	171 Å²	171	104.5 Å²	104.5	79%	0.792	54%	0.543	S	S	*	.			trans	-57.5	93.6	-174.9	-154.2	-3.3	0	0	0	108.5	A20 Q24	A20-H22 VanDerWaalsContact C-N 3.28Å; A20-H22 PolarHBondContact O-N 3.36Å; A20-H22 VanDerWaalsContact O-N 3.09Å; H22-Q24 PolarHBondContact O-N 3.44Å
23	S	53.6	Low	63.4	Low	41 Å²	41	105.5 Å²	105.5	29%	0.287	54%	0.539	S	S	.	.			trans	-69.3	113	172.2	56.2	0	0	0	0	106.8	I21 D25	I21-S23 VanDerWaalsContact C-N 3.31Å; I21-S23 PolarHBondContact O-N 2.96Å; S23-D25 VanDerWaalsContact C-N 3.28Å; S23-D25 PolarHBondContact O-N 3.24Å
24	Q	65.4	Low	65.3	Low	126 Å²	126	103 Å²	103	59%	0.589	52%	0.52	S	S	*	.			trans	-75.9	91.1	170.4	-149.9	171.2	13.2	0	0	106.4	H22 V26 L46	H22-Q24 PolarHBondContact O-N 3.44Å; Q24-V26 HydrophobicContact CB-CG2 4.49Å; Q24-V26 HydrophobicContact CG-CG2 4.18Å; Q24-V26 PolarHBondContact O-N 3.4Å; Q24-L46 HydrophobicContact CB-CD1 4.49Å
25	D	80.4	Confident	67.4	Low	77 Å²	77	102.8 Å²	102.8	41%	0.412	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	106.7	170.5	-76.8	4.2	0	0	0	107	S23 R47 V49	S23-D25 VanDerWaalsContact C-N 3.28Å; S23-D25 PolarHBondContact O-N 3.24Å; D25-R47 CarbonylContact C-O 3.59Å; D25-R47 WeakPolarHBondContact CA-O 2.96Å; D25-R47 WeakPolarHBondContact OD1-CD 2.99Å; D25-R47 IonicContact OD1-CZ 3.21Å; D25-R47 IonicContact OD1-NE 3.13Å; D25-R47 IonicContact OD1-NH1 2.84Å; D25-R47 PolarHBondContact OD1-NH1 3.25Å; D25-R47 IonicContact OD2-NH1 2.78Å; D25-V49 HydrophobicContact CB-CG2 4.01Å
26	V	87.1	Confident	69.4	Low	28 Å²	28	98 Å²	98	17%	0.17	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	113.9	-178.1	178.8	0	0	0	0	108.7	Q24 Y34 L46 R47 L48 V49	Q24-V26 HydrophobicContact CB-CG2 4.49Å; Q24-V26 HydrophobicContact CG-CG2 4.18Å; Q24-V26 PolarHBondContact O-N 3.4Å; V26-Y34 HydrophobicContact CG1-CE2 3.96Å; V26-L46 HydrophobicContact CG2-CD1 3.86Å; V26-R47 PolarHBondContact N-O 2.93Å; V26-L48 HydrophobicContact CB-CD2 3.97Å; V26-L48 HydrophobicContact CG1-CD2 4.26Å; V26-L48 CarbonylContact O-C 3.59Å; V26-L48 WeakPolarHBondContact O-CA 3.48Å; V26-V49 PolarHBondContact O-N 3.43Å
27	P	87.8	Confident	71.7	Confident	92 Å²	92	102 Å²	102	60%	0.597	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	137.8	174.9	28.5	-33.1	0	0	0	110.2	V49	P27-V49 CarbonylContact C-O 3.58Å; P27-V49 VanDerWaalsContact CA-O 3.32Å; P27-V49 WeakPolarHBondContact CA-O 3.48Å
28	W	90.6	Very high	74	Confident	61 Å²	61	94 Å²	94	23%	0.231	47%	0.474	C	S	.	.			trans	-141.8	168	178.6	-154.4	-107.7	0	0	0	112.1	E32 E33 Y34 V49 F50 P51	W28-E32 HydrophobicContact CZ2-CB 4.42Å; W28-E32 PolarHBondContact NE1-O 3.35Å; W28-E33 VanDerWaalsContact CZ2-O 3.3Å; W28-E33 WeakPolarHBondContact CZ2-O 3.31Å; W28-Y34 AromaticContact CD2-CD2 3.72Å; W28-Y34 HydrophobicContact CD2-CD2 3.72Å; W28-Y34 HydrophobicContact CD2-CG 4.3Å; W28-Y34 AromaticContact CE2-CD2 3.97Å; W28-Y34 AromaticContact CE3-CD2 3.56Å; W28-Y34 HydrophobicContact CE3-CD2 3.56Å; W28-Y34 HydrophobicContact CE3-CE2 4.23Å; W28-Y34 HydrophobicContact CG-CD2 4.44Å; W28-Y34 AromaticContact CH2-CD2 3.92Å; W28-Y34 HydrophobicContact CH2-CD2 3.92Å; W28-Y34 HydrophobicContact CZ2-CD2 4.08Å; W28-Y34 AromaticContact CZ3-CD2 3.66Å; W28-Y34 HydrophobicContact CZ3-CD2 3.66Å; W28-Y34 HydrophobicContact CZ3-CE2 4.22Å; W28-V49 PolarHBondContact N-O 3.24Å; W28-F50 HydrophobicContact CB-CD1 4.41Å; W28-F50 HydrophobicContact CB-CE1 3.99Å; W28-F50 HydrophobicContact CB-CE2 4.35Å; W28-F50 HydrophobicContact CB-CZ 3.95Å; W28-F50 AromaticContact CD1-CE1 3.66Å; W28-F50 AromaticContact CD1-CZ 3.82Å; W28-F50 HydrophobicContact CG-CE1 4.24Å; W28-F50 HydrophobicContact CG-CZ 4.25Å; W28-P51 WeakPolarHBondContact O-CD 3.29Å
29	Y	87.9	Confident	76	Confident	148 Å²	148	85.6 Å²	85.6	58%	0.58	44%	0.44	S	S	*	.			trans	-113.3	149.3	-175.2	-59.3	-76.7	0	0	0	112.1	E32 F50	Y29-E32 WeakPolarHBondContact CD2-OE2 3.25Å; Y29-F50 WeakPolarHBondContact O-CE1 3.46Å
30	Y	86.8	Confident	77.8	Confident	37 Å²	37	79.7 Å²	79.7	15%	0.145	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	149	172.3	-66.3	-85.1	0	0	0	110.3	E32 F50 Q52 V59 L124 A142 L144	Y30-E32 PolarHBondContact O-N 2.97Å; Y30-E32 VanDerWaalsContact O-N 3.07Å; Y30-F50 HydrophobicContact CD1-CD1 4.39Å; Y30-F50 HydrophobicContact CE1-CB 4.4Å; Y30-F50 HydrophobicContact CE2-CB 4.02Å; Y30-F50 HydrophobicContact CG-CD1 4.46Å; Y30-Q52 HydrophobicContact CE2-CB 4.34Å; Y30-Q52 HydrophobicContact CE2-CG 4.14Å; Y30-V59 HydrophobicContact CE1-CG1 4.08Å; Y30-V59 HydrophobicContact CE1-CG2 3.9Å; Y30-L124 HydrophobicContact CE1-CD2 4.13Å; Y30-A142 CarbonylContact C-O 3.57Å; Y30-A142 WeakPolarHBondContact CA-O 3.32Å; Y30-A142 HydrophobicContact CD1-CB 4.09Å; Y30-A142 HydrophobicContact CE1-CB 4.36Å; Y30-L144 HydrophobicContact CD1-CD2 4.32Å; Y30-L144 HydrophobicContact CD1-CG 4.14Å; Y30-L144 HydrophobicContact CE1-CD2 4.21Å; Y30-L144 HydrophobicContact CG-CG 4.41Å
31	D	86.8	Confident	79.2	Confident	98 Å²	98	79.3 Å²	79.3	52%	0.524	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	-0.3	-177.8	-56.4	-53	0	0	0	116	A142 R143	D31-A142 PolarHBondContact N-O 3.49Å; D31-R143 WeakPolarHBondContact OD1-CB 3.19Å; D31-R143 VanDerWaalsContact OD1-CG 3.26Å; D31-R143 WeakPolarHBondContact OD1-CG 3.28Å
32	E	90.6	Very high	80.2	Confident	98 Å²	98	75.3 Å²	75.3	46%	0.458	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-98.3	138.3	171.9	-63.7	-169.6	173.9	0	0	111.7	W28 Y29 Y30	W28-E32 HydrophobicContact CZ2-CB 4.42Å; W28-E32 PolarHBondContact NE1-O 3.35Å; Y29-E32 WeakPolarHBondContact CD2-OE2 3.25Å; Y30-E32 PolarHBondContact O-N 2.97Å; Y30-E32 VanDerWaalsContact O-N 3.07Å
33	E	91.8	Very high	81.1	Confident	107 Å²	107	69.9 Å²	69.9	50%	0.5	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.5	178.4	-175.7	169.6	-157.6	0	0	111.6	W28 V35 T139 V141	W28-E33 VanDerWaalsContact CZ2-O 3.3Å; W28-E33 WeakPolarHBondContact CZ2-O 3.31Å; E33-V35 HydrophobicContact CG-CG2 4.27Å; E33-T139 WeakPolarHBondContact OE1-CB 3.41Å; E33-T139 PolarHBondContact OE1-OG1 3.14Å; E33-V141 HydrophobicContact CB-CG2 3.74Å; E33-V141 HydrophobicContact CG-CG2 3.71Å
34	Y	92.8	Very high	82	Confident	37 Å²	37	69.1 Å²	69.1	15%	0.145	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.1	169.3	-177.2	-97.5	0	0	0	109.7	V26 W28 L46 L48 F138 T139 V140	V26-Y34 HydrophobicContact CG1-CE2 3.96Å; W28-Y34 AromaticContact CD2-CD2 3.72Å; W28-Y34 HydrophobicContact CD2-CD2 3.72Å; W28-Y34 HydrophobicContact CD2-CG 4.3Å; W28-Y34 AromaticContact CE2-CD2 3.97Å; W28-Y34 AromaticContact CE3-CD2 3.56Å; W28-Y34 HydrophobicContact CE3-CD2 3.56Å; W28-Y34 HydrophobicContact CE3-CE2 4.23Å; W28-Y34 HydrophobicContact CG-CD2 4.44Å; W28-Y34 AromaticContact CH2-CD2 3.92Å; W28-Y34 HydrophobicContact CH2-CD2 3.92Å; W28-Y34 HydrophobicContact CZ2-CD2 4.08Å; W28-Y34 AromaticContact CZ3-CD2 3.66Å; W28-Y34 HydrophobicContact CZ3-CD2 3.66Å; W28-Y34 HydrophobicContact CZ3-CE2 4.22Å; Y34-L46 HydrophobicContact CE1-CD2 3.63Å; Y34-L48 HydrophobicContact CD1-CD1 3.88Å; Y34-L48 HydrophobicContact CD1-CD2 3.89Å; Y34-L48 HydrophobicContact CD1-CG 4.49Å; Y34-L48 HydrophobicContact CD2-CD2 4.08Å; Y34-L48 HydrophobicContact CE1-CD2 3.84Å; Y34-L48 HydrophobicContact CE2-CD2 4.04Å; Y34-L48 HydrophobicContact CG-CD1 4.08Å; Y34-L48 HydrophobicContact CG-CD2 3.99Å; Y34-F138 HydrophobicContact CD1-CE2 4Å; Y34-F138 AromaticContact CE1-CE2 3.96Å; Y34-F138 HydrophobicContact CE1-CE2 3.96Å; Y34-F138 HydrophobicContact CE1-CZ 4.12Å; Y34-T139 CarbonylContact O-C 3.58Å; Y34-T139 WeakPolarHBondContact O-CA 3.31Å; Y34-V140 PolarHBondContact N-O 2.86Å; Y34-V140 PolarHBondContact O-N 3.38Å
35	V	93.1	Very high	82.9	Confident	102 Å²	102	65.4 Å²	65.4	62%	0.618	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.4	173.4	-176.7	0	0	0	0	108.1	E33 T139	E33-V35 HydrophobicContact CG-CG2 4.27Å; V35-T139 HydrophobicContact CB-CG2 4.41Å; V35-T139 HydrophobicContact CG1-CG2 4.22Å; V35-T139 HydrophobicContact CG2-CG2 3.87Å
36	G	89.3	Confident	83.3	Confident	13 Å²	13	62.3 Å²	62.3	13%	0.134	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	170.1	-178.3	0	0	0	0	0	113.3	G137 F138	G36-G137 WeakPolarHBondContact O-CA 3.42Å; G36-F138 PolarHBondContact N-O 3.05Å; G36-F138 WeakPolarHBondContact O-CD1 3.32Å; G36-F138 PolarHBondContact O-N 3.43Å
37	E	89.6	Confident	83.4	Confident	148 Å²	148	63.1 Å²	63.1	69%	0.692	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.1	176.2	-70.4	-179	-175.5	0	0	109.7	A135 I136	E37-A135 HydrophobicContact CB-CB 4.4Å; E37-I136 WeakPolarHBondContact CA-O 3.4Å
38	I	87.1	Confident	83.6	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.026	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	132.5	179.5	-166.3	170.2	0	0	0	110.2	L46 L74 L128 T130 I136 F138	I38-L46 HydrophobicContact CD1-CB 4.14Å; I38-L74 HydrophobicContact CG2-CD1 3.65Å; I38-L128 HydrophobicContact CD1-CB 4.35Å; I38-L128 WeakPolarHBondContact CD1-O 3.33Å; I38-T130 HydrophobicContact CB-CG2 4.45Å; I38-T130 HydrophobicContact CG1-CG2 4.29Å; I38-T130 HydrophobicContact CG2-CG2 3.8Å; I38-T130 WeakPolarHBondContact O-CG2 3.46Å; I38-I136 PolarHBondContact N-O 3.12Å; I38-I136 PolarHBondContact O-N 2.95Å; I38-F138 HydrophobicContact CB-CD1 4.44Å; I38-F138 HydrophobicContact CB-CE1 3.8Å; I38-F138 HydrophobicContact CG2-CD1 3.81Å; I38-F138 HydrophobicContact CG2-CE1 3.64Å
39	G	79.8	Confident	83.5	Confident	10 Å²	10	57.1 Å²	57.1	10%	0.103	33%	0.331	C	S	.	.			trans	-152	151.2	178.5	0	0	0	0	0	110.7	G41 G42	G39-G41 PolarHBondContact O-N 3.29Å; G39-G42 CarbonylContact O-C 3.58Å; G39-G42 PolarHBondContact O-N 3.21Å
40	A	72.4	Confident	83.5	Confident	47 Å²	47	50 Å²	50	39%	0.388	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.3	179.5	0	0	0	0	0	112.9	G42 S132	A40-G42 VanDerWaalsContact C-N 3.26Å; A40-S132 VanDerWaalsContact CB-O 3.29Å; A40-S132 WeakPolarHBondContact CB-O 3.32Å; A40-S132 PolarHBondContact N-O 3.46Å
41	G	62.2	Low	82.9	Confident	78 Å²	78	51.8 Å²	51.8	80%	0.804	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.6	170.1	0	0	0	0	0	114.4	G39	G39-G41 PolarHBondContact O-N 3.29Å
42	G	63	Low	82	Confident	58 Å²	58	47.6 Å²	47.6	60%	0.598	30%	0.296	S	S	*	.	S	Bend	trans	-114.2	-147.3	171.1	0	0	0	0	0	111.6	G39 A40 G44	G39-G42 CarbonylContact O-C 3.58Å; G39-G42 PolarHBondContact O-N 3.21Å; A40-G42 VanDerWaalsContact C-N 3.26Å; G42-G44 PolarHBondContact O-N 3.2Å; G42-G44 VanDerWaalsContact O-N 3.14Å
43	S	65.2	Low	80.4	Confident	57 Å²	57	50.1 Å²	50.1	40%	0.399	31%	0.313	S	S	.	.			trans	-73	98.2	163.6	50.7	0	0	0	0	108.5	Y45	S43-Y45 PolarHBondContact O-N 2.66Å
44	G	73.2	Confident	78.7	Confident	24 Å²	24	54 Å²	54	25%	0.247	32%	0.323	C	S	.	.	S	Bend	trans	-64.4	16.3	175.9	0	0	0	0	0	115	G42 S129 T130	G42-G44 PolarHBondContact O-N 3.2Å; G42-G44 VanDerWaalsContact O-N 3.14Å; G44-S129 VanDerWaalsContact O-CA 3.29Å; G44-S129 WeakPolarHBondContact O-CA 3.28Å; G44-S129 WeakPolarHBondContact O-CB 3.25Å; G44-T130 PolarHBondContact O-N 3.09Å
45	Y	84.1	Confident	76.9	Confident	49 Å²	49	56.3 Å²	56.3	19%	0.192	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	130.1	-177.9	179.9	-94	0	0	0	110	S43 R47 E127 L128	S43-Y45 PolarHBondContact O-N 2.66Å; Y45-R47 HydrophobicContact CE1-CB 4.07Å; Y45-R47 PolarHBondContact OH-NE 3.21Å; Y45-R47 VanDerWaalsContact OH-NE 3.11Å; Y45-R47 PolarHBondContact OH-NH2 2.99Å; Y45-E127 HydrophobicContact CE2-CB 3.94Å; Y45-E127 HydrophobicContact CE2-CG 4.42Å; Y45-E127 WeakPolarHBondContact CE2-OE2 3.3Å; Y45-E127 WeakPolarHBondContact OH-CG 3.46Å; Y45-E127 PolarHBondContact OH-OE1 2.66Å; Y45-E127 PolarHBondContact OH-OE2 3.45Å; Y45-L128 CarbonylContact C-O 3.52Å; Y45-L128 WeakPolarHBondContact CA-O 3.45Å
46	L	88	Confident	75.2	Confident	12 Å²	12	56 Å²	56	6%	0.063	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.7	172.9	178.4	70.7	0	0	0	109.5	Q24 V26 Y34 I38 L48 E127 L128 F138	Q24-L46 HydrophobicContact CB-CD1 4.49Å; V26-L46 HydrophobicContact CG2-CD1 3.86Å; Y34-L46 HydrophobicContact CE1-CD2 3.63Å; I38-L46 HydrophobicContact CD1-CB 4.14Å; L46-L48 HydrophobicContact CD2-CD2 4.04Å; L46-L48 HydrophobicContact CD2-CG 4.45Å; L46-L48 HydrophobicContact CG-CD2 4.4Å; L46-E127 CarbonylContact O-C 3.59Å; L46-E127 WeakPolarHBondContact O-CA 3.31Å; L46-L128 HydrophobicContact CD2-CD1 4.38Å; L46-L128 PolarHBondContact N-O 3.35Å; L46-L128 PolarHBondContact O-N 2.85Å; L46-F138 HydrophobicContact CD2-CE2 4.13Å; L46-F138 HydrophobicContact CD2-CZ 3.52Å
47	R	90.6	Very high	74.1	Confident	44 Å²	44	56.4 Å²	56.4	17%	0.166	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.7	172.7	-175.3	-176.4	-59.6	142.1	-4.5	110.6	D25 V26 Y45 V49 Y125 I126 E127	D25-R47 CarbonylContact C-O 3.59Å; D25-R47 WeakPolarHBondContact CA-O 2.96Å; D25-R47 WeakPolarHBondContact OD1-CD 2.99Å; D25-R47 IonicContact OD1-CZ 3.21Å; D25-R47 IonicContact OD1-NE 3.13Å; D25-R47 IonicContact OD1-NH1 2.84Å; D25-R47 PolarHBondContact OD1-NH1 3.25Å; D25-R47 IonicContact OD2-NH1 2.78Å; V26-R47 PolarHBondContact N-O 2.93Å; Y45-R47 HydrophobicContact CE1-CB 4.07Å; Y45-R47 PolarHBondContact OH-NE 3.21Å; Y45-R47 VanDerWaalsContact OH-NE 3.11Å; Y45-R47 PolarHBondContact OH-NH2 2.99Å; R47-V49 HydrophobicContact CG-CG2 4.48Å; R47-Y125 HydrophobicContact CG-CD1 4.27Å; R47-I126 CarbonylContact C-O 3.54Å; R47-I126 WeakPolarHBondContact CA-O 3.45Å; R47-E127 HydrophobicContact CG-CG 4.17Å; R47-E127 IonicContact NE-OE1 3.46Å; R47-E127 PolarHBondContact NE-OE1 3.03Å; R47-E127 IonicContact NH2-OE1 3.05Å
48	L	90.2	Very high	73.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.9	169.9	-57	177.7	0	0	0	109.7	V26 Y34 L46 F50 Y125 I126 L128 V140	V26-L48 HydrophobicContact CB-CD2 3.97Å; V26-L48 HydrophobicContact CG1-CD2 4.26Å; V26-L48 CarbonylContact O-C 3.59Å; V26-L48 WeakPolarHBondContact O-CA 3.48Å; Y34-L48 HydrophobicContact CD1-CD1 3.88Å; Y34-L48 HydrophobicContact CD1-CD2 3.89Å; Y34-L48 HydrophobicContact CD1-CG 4.49Å; Y34-L48 HydrophobicContact CD2-CD2 4.08Å; Y34-L48 HydrophobicContact CE1-CD2 3.84Å; Y34-L48 HydrophobicContact CE2-CD2 4.04Å; Y34-L48 HydrophobicContact CG-CD1 4.08Å; Y34-L48 HydrophobicContact CG-CD2 3.99Å; L46-L48 HydrophobicContact CD2-CD2 4.04Å; L46-L48 HydrophobicContact CD2-CG 4.45Å; L46-L48 HydrophobicContact CG-CD2 4.4Å; L48-F50 HydrophobicContact CB-CD2 4.37Å; L48-F50 HydrophobicContact CB-CE2 3.66Å; L48-F50 HydrophobicContact CB-CZ 4.48Å; L48-F50 HydrophobicContact CD1-CE2 4.33Å; L48-F50 HydrophobicContact CD1-CZ 4.48Å; L48-Y125 VanDerWaalsContact O-CA 3.32Å; L48-Y125 WeakPolarHBondContact O-CA 3.44Å; L48-I126 HydrophobicContact CB-CB 4.27Å; L48-I126 PolarHBondContact N-O 3.28Å; L48-I126 PolarHBondContact O-N 3.48Å; L48-L128 HydrophobicContact CD1-CD1 4.2Å; L48-L128 HydrophobicContact CG-CD1 4.3Å; L48-V140 HydrophobicContact CD1-CB 3.81Å; L48-V140 HydrophobicContact CD1-CG1 3.9Å; L48-V140 HydrophobicContact CD1-CG2 3.94Å
49	V	89.9	Confident	73.6	Confident	27 Å²	27	49.5 Å²	49.5	16%	0.164	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.1	-179.9	-169.7	0	0	0	0	109.6	D25 V26 P27 W28 R47 P51 P123 Y125	D25-V49 HydrophobicContact CB-CG2 4.01Å; V26-V49 PolarHBondContact O-N 3.43Å; P27-V49 CarbonylContact C-O 3.58Å; P27-V49 VanDerWaalsContact CA-O 3.32Å; P27-V49 WeakPolarHBondContact CA-O 3.48Å; W28-V49 PolarHBondContact N-O 3.24Å; R47-V49 HydrophobicContact CG-CG2 4.48Å; V49-P51 WeakPolarHBondContact O-CD 3.34Å; V49-P123 HydrophobicContact CG1-CB 4.03Å; V49-Y125 HydrophobicContact CB-CD1 4.44Å; V49-Y125 HydrophobicContact CG1-CD1 4.09Å; V49-Y125 HydrophobicContact CG1-CE1 3.89Å; V49-Y125 HydrophobicContact CG2-CD1 3.92Å; V49-Y125 HydrophobicContact CG2-CE1 4.14Å
50	F	86.2	Confident	74.1	Confident	0 Å²	0	54 Å²	54	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	105.7	178.7	-66	-105.7	0	0	0	108.8	W28 Y29 Y30 L48 Q52 P123 L124 I126 A142	W28-F50 HydrophobicContact CB-CD1 4.41Å; W28-F50 HydrophobicContact CB-CE1 3.99Å; W28-F50 HydrophobicContact CB-CE2 4.35Å; W28-F50 HydrophobicContact CB-CZ 3.95Å; W28-F50 AromaticContact CD1-CE1 3.66Å; W28-F50 AromaticContact CD1-CZ 3.82Å; W28-F50 HydrophobicContact CG-CE1 4.24Å; W28-F50 HydrophobicContact CG-CZ 4.25Å; Y29-F50 WeakPolarHBondContact O-CE1 3.46Å; Y30-F50 HydrophobicContact CD1-CD1 4.39Å; Y30-F50 HydrophobicContact CE1-CB 4.4Å; Y30-F50 HydrophobicContact CE2-CB 4.02Å; Y30-F50 HydrophobicContact CG-CD1 4.46Å; L48-F50 HydrophobicContact CB-CD2 4.37Å; L48-F50 HydrophobicContact CB-CE2 3.66Å; L48-F50 HydrophobicContact CB-CZ 4.48Å; L48-F50 HydrophobicContact CD1-CE2 4.33Å; L48-F50 HydrophobicContact CD1-CZ 4.48Å; F50-Q52 PolarHBondContact O-N 3.29Å; F50-P123 WeakPolarHBondContact O-CA 3.41Å; F50-L124 HydrophobicContact CB-CB 4.05Å; F50-L124 HydrophobicContact CB-CD2 4.08Å; F50-L124 HydrophobicContact CB-CG 4.41Å; F50-L124 HydrophobicContact CD2-CD2 3.9Å; F50-L124 HydrophobicContact CD2-CG 4.25Å; F50-L124 HydrophobicContact CG-CD2 3.97Å; F50-L124 PolarHBondContact N-O 2.91Å; F50-L124 PolarHBondContact O-N 2.89Å; F50-L124 VanDerWaalsContact O-N 3.09Å; F50-I126 HydrophobicContact CD2-CD1 4.15Å; F50-I126 HydrophobicContact CD2-CG1 4.36Å; F50-I126 HydrophobicContact CE2-CD1 3.44Å; F50-I126 VanDerWaalsContact CE2-CD1 3.44Å; F50-I126 HydrophobicContact CE2-CG1 3.96Å; F50-I126 HydrophobicContact CZ-CD1 3.95Å; F50-A142 HydrophobicContact CD1-CB 3.94Å; F50-A142 HydrophobicContact CE1-CB 3.53Å; F50-A142 HydrophobicContact CE2-CB 4.45Å; F50-A142 HydrophobicContact CZ-CB 3.84Å
51	P	76.3	Confident	75.1	Confident	74 Å²	74	51.7 Å²	51.7	48%	0.481	31%	0.311	S	S	.	.			trans	-71.9	125.2	179.5	27.5	-30.9	0	0	0	110.5	W28 V49	W28-P51 WeakPolarHBondContact O-CD 3.29Å; V49-P51 WeakPolarHBondContact O-CD 3.34Å
52	Q	67.1	Low	76.6	Confident	10 Å²	10	49.7 Å²	49.7	5%	0.047	28%	0.283	C	S	.	.			trans	-115.8	122.7	-179.4	-151.8	-177.8	17.3	0	0	111.3	Y30 F50 R122	Y30-Q52 HydrophobicContact CE2-CB 4.34Å; Y30-Q52 HydrophobicContact CE2-CG 4.14Å; F50-Q52 PolarHBondContact O-N 3.29Å; Q52-R122 VanDerWaalsContact CB-O 3.26Å; Q52-R122 WeakPolarHBondContact CB-O 3.3Å; Q52-R122 PolarHBondContact OE1-O 3.17Å
53	N	57.5	Low	78.1	Confident	151 Å²	151	46.9 Å²	46.9	81%	0.807	25%	0.254	S	S	*	.			trans	-94.6	6.3	172.3	-91.6	-5.4	0	0	0	113.1
54	R	56.3	Low	79.5	Confident	188 Å²	188	49.9 Å²	49.9	71%	0.709	26%	0.257	S	S	*	.			trans	-125.6	139.4	-173	-113.2	-178.9	-175.8	-178.8	0.8	111.3
55	T	53.8	Low	80.5	Confident	85 Å²	85	48.8 Å²	48.8	52%	0.521	25%	0.245	S	C	.	.	S	Bend	trans	-97	7.4	-170.8	46.3	0	0	0	0	115
56	S	56.9	Low	80.8	Confident	97 Å²	97	51.9 Å²	51.9	68%	0.678	26%	0.264	S	S	*	.	S	Bend	trans	-146.6	12.8	-167.7	69.7	0	0	0	0	117.3
57	G	67.1	Low	80.9	Confident	20 Å²	20	56.8 Å²	56.8	21%	0.206	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-93	129.8	-179.3	0	0	0	0	0	112.4
58	V	80.9	Confident	80.8	Confident	9 Å²	9	55 Å²	55	6%	0.055	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	127	171.9	-174.7	0	0	0	0	108.9	T105 L106 P108 I145 F148	V58-T105 HydrophobicContact CG1-CG2 3.29Å; V58-L106 WeakPolarHBondContact CG1-O 3.35Å; V58-P108 HydrophobicContact CG2-CB 3.83Å; V58-P108 HydrophobicContact CG2-CG 3.7Å; V58-I145 HydrophobicContact CB-CB 4.37Å; V58-I145 PolarHBondContact O-N 3.37Å; V58-F148 HydrophobicContact CB-CB 4.23Å; V58-F148 HydrophobicContact CB-CD1 4.42Å; V58-F148 HydrophobicContact CB-CD2 4.35Å; V58-F148 HydrophobicContact CB-CG 4.1Å; V58-F148 HydrophobicContact CG1-CD1 4.14Å; V58-F148 HydrophobicContact CG1-CD2 3.81Å; V58-F148 HydrophobicContact CG1-CE1 4.2Å; V58-F148 HydrophobicContact CG1-CE2 3.91Å; V58-F148 HydrophobicContact CG1-CG 3.92Å; V58-F148 HydrophobicContact CG1-CZ 4.08Å; V58-F148 HydrophobicContact CG2-CB 3.64Å; V58-F148 HydrophobicContact CG2-CD1 3.61Å; V58-F148 HydrophobicContact CG2-CD2 4.33Å; V58-F148 HydrophobicContact CG2-CE1 4.3Å; V58-F148 HydrophobicContact CG2-CG 3.6Å
59	V	86	Confident	80.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.5	-178.2	-176.7	0	0	0	0	111	Y30 V61 T105 L106 L124 A142 R143 L144	Y30-V59 HydrophobicContact CE1-CG1 4.08Å; Y30-V59 HydrophobicContact CE1-CG2 3.9Å; V59-V61 HydrophobicContact CG1-CG2 4.11Å; V59-T105 WeakPolarHBondContact O-CA 3.41Å; V59-L106 HydrophobicContact CB-CD1 4.26Å; V59-L106 PolarHBondContact O-N 3.34Å; V59-L124 HydrophobicContact CG1-CD2 3.75Å; V59-A142 HydrophobicContact CG1-CB 4.17Å; V59-R143 WeakPolarHBondContact CA-O 3.28Å; V59-L144 HydrophobicContact CG2-CD2 4.02Å
60	R	89.8	Confident	80.7	Confident	103 Å²	103	59.4 Å²	59.4	39%	0.389	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.8	166.4	178.4	172	-76.8	163.5	-6.9	110.1	R104 T105 A142 R143 I145	R60-R104 WeakPolarHBondContact CA-O 3.47Å; R60-T105 PolarHBondContact NE-OG1 2.81Å; R60-T105 PolarHBondContact NH2-OG1 2.92Å; R60-A142 WeakPolarHBondContact O-CA 3.38Å; R60-R143 PolarHBondContact N-O 2.94Å; R60-R143 PolarHBondContact O-N 3.36Å; R60-I145 HydrophobicContact CB-CD1 3.8Å; R60-I145 HydrophobicContact CB-CG1 3.67Å
61	V	92.5	Very high	80.7	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.9	176.5	177.1	0	0	0	0	108.9	V59 V63 A78 W87 S103 R104 L106 L124 I126 V140 A142	V59-V61 HydrophobicContact CG1-CG2 4.11Å; V61-V63 HydrophobicContact CG1-CG2 3.98Å; V61-A78 HydrophobicContact CG2-CB 4.29Å; V61-W87 HydrophobicContact CB-CH2 3.99Å; V61-W87 HydrophobicContact CB-CZ2 4.41Å; V61-W87 HydrophobicContact CG1-CH2 3.86Å; V61-W87 HydrophobicContact CG1-CZ2 3.98Å; V61-S103 CarbonylContact O-C 3.51Å; V61-S103 VanDerWaalsContact O-CA 3.31Å; V61-S103 WeakPolarHBondContact O-CA 3.4Å; V61-R104 PolarHBondContact N-O 2.84Å; V61-R104 PolarHBondContact O-N 3.06Å; V61-L106 HydrophobicContact CG2-CD1 4.48Å; V61-L124 HydrophobicContact CG2-CD2 4.42Å; V61-I126 HydrophobicContact CB-CD1 4.35Å; V61-I126 HydrophobicContact CG1-CD1 3.62Å; V61-I126 HydrophobicContact CG1-CG1 4.44Å; V61-I126 HydrophobicContact CG2-CD1 3.76Å; V61-I126 HydrophobicContact CG2-CG1 4.34Å; V61-V140 HydrophobicContact CG1-CG1 4.3Å; V61-A142 HydrophobicContact CG2-CB 4.45Å
62	T	94.6	Very high	81.3	Confident	35 Å²	35	68.6 Å²	68.6	22%	0.215	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.5	174.1	-57.1	0	0	0	0	108.9	V101 S103 V140 V141	T62-V101 HydrophobicContact CG2-CG1 4.16Å; T62-S103 WeakPolarHBondContact CB-OG 3.45Å; T62-S103 VanDerWaalsContact CG2-OG 3.26Å; T62-S103 WeakPolarHBondContact CG2-OG 3.25Å; T62-S103 PolarHBondContact OG1-OG 3.49Å; T62-V140 CarbonylContact O-C 3.48Å; T62-V140 WeakPolarHBondContact O-CA 3.34Å; T62-V141 PolarHBondContact N-O 3.46Å; T62-V141 PolarHBondContact O-N 2.92Å
63	V	95.1	Very high	82.5	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.7	175.3	-173.6	0	0	0	0	109.2	V61 L74 I76 W87 L89 V101 A102 L128 T139 V140	V61-V63 HydrophobicContact CG1-CG2 3.98Å; V63-L74 HydrophobicContact CG1-CD2 4.12Å; V63-I76 HydrophobicContact CB-CG1 4.4Å; V63-I76 HydrophobicContact CG1-CD1 4.32Å; V63-I76 HydrophobicContact CG1-CG1 4.11Å; V63-I76 HydrophobicContact CG2-CG1 4.23Å; V63-I76 HydrophobicContact CG2-CG2 4.1Å; V63-W87 HydrophobicContact CG2-CZ2 4.03Å; V63-L89 HydrophobicContact CB-CD1 3.98Å; V63-L89 HydrophobicContact CG1-CD1 3.69Å; V63-L89 WeakPolarHBondContact O-CD1 3.34Å; V63-V101 WeakPolarHBondContact O-CA 3.4Å; V63-A102 PolarHBondContact N-O 3.23Å; V63-A102 PolarHBondContact O-N 3.07Å; V63-L128 HydrophobicContact CG1-CD2 4.13Å; V63-T139 CarbonylContact C-O 3.56Å; V63-T139 VanDerWaalsContact CA-O 3.25Å; V63-T139 WeakPolarHBondContact CA-O 3.46Å; V63-V140 HydrophobicContact CG1-CG2 4.23Å; V63-V140 HydrophobicContact CG2-CG1 4.23Å; V63-V140 HydrophobicContact CG2-CG2 4.1Å
64	R	94.5	Very high	84.3	Confident	119 Å²	119	62.2 Å²	62.2	45%	0.449	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.2	176	170.9	169.3	-164.2	-171.3	7	109.9	N100 V101 F138 T139	R64-N100 CarbonylContact C-O 3.51Å; R64-N100 WeakPolarHBondContact CA-O 3.46Å; R64-V101 HydrophobicContact CB-CG1 4.41Å; R64-V101 HydrophobicContact CB-CG2 3.92Å; R64-V101 HydrophobicContact CG-CG2 3.69Å; R64-F138 CarbonylContact O-C 3.56Å; R64-F138 WeakPolarHBondContact O-CA 3.36Å; R64-F138 WeakPolarHBondContact O-CB 3.13Å; R64-T139 PolarHBondContact N-O 3.11Å; R64-T139 PolarHBondContact O-N 3.26Å
65	S	93.5	Very high	86	Confident	1 Å²	1	57 Å²	57	1%	0.007	30%	0.295	C	S	.	.			trans	-152.4	115	170	-177.9	0	0	0	0	110.2	A68 N100 I136 G137	S65-A68 PolarHBondContact OG-N 3.13Å; S65-N100 PolarHBondContact N-O 3.37Å; S65-N100 VanDerWaalsContact O-CB 3.31Å; S65-N100 WeakPolarHBondContact O-CB 3.36Å; S65-I136 WeakPolarHBondContact OG-CG2 3.33Å; S65-G137 WeakPolarHBondContact CB-O 3.49Å; S65-G137 PolarHBondContact OG-O 3.05Å
66	L	89.5	Confident	88	Confident	114 Å²	114	52.9 Å²	52.9	60%	0.597	27%	0.27	S	S	*	.	S	Bend	trans	-83.9	-16.2	178.5	-63	176.2	0	0	0	112.8	N100	L66-N100 HydrophobicContact CD2-CB 4.07Å
67	E	90.3	Very high	89.8	Confident	115 Å²	115	50 Å²	50	54%	0.537	25%	0.249	S	C	.	.	S	Bend	trans	-96	-13.5	-175.4	-65.6	175.8	-171.3	0	0	112.7	I136 G137	E67-I136 HydrophobicContact CB-CB 4.47Å; E67-I136 HydrophobicContact CB-CG1 4.49Å; E67-I136 HydrophobicContact CB-CG2 4.08Å; E67-I136 WeakPolarHBondContact OE2-CA 3.32Å; E67-G137 PolarHBondContact OE2-N 3.43Å
68	A	89.6	Confident	90.9	Very high	7 Å²	7	49.1 Å²	49.1	6%	0.058	24%	0.239	C	C	.	.			trans	-70.2	144.4	173.6	0	0	0	0	0	111	S65 L74 L89 P90 I136	S65-A68 PolarHBondContact OG-N 3.13Å; A68-L74 HydrophobicContact CB-CB 4.07Å; A68-L89 WeakPolarHBondContact CB-O 3.38Å; A68-P90 WeakPolarHBondContact O-CG 3.19Å; A68-I136 HydrophobicContact CB-CG2 4.22Å
69	S	89.4	Confident	91.3	Very high	47 Å²	47	52.2 Å²	52.2	33%	0.329	25%	0.25	S	C	.	.			trans	-131.2	163.3	177.5	63.2	0	0	0	0	110.8	E71 K72 P73 P90	S69-E71 PolarHBondContact O-N 2.75Å; S69-K72 PolarHBondContact N-O 3.24Å; S69-K72 VanDerWaalsContact N-O 3.17Å; S69-K72 CarbonylContact O-C 3.54Å; S69-K72 PolarHBondContact O-N 3.43Å; S69-K72 VanDerWaalsContact O-O 3.09Å; S69-K72 PolarHBondContact OG-N 3Å; S69-P73 WeakPolarHBondContact O-CA 3.45Å; S69-P73 VanDerWaalsContact O-N 3.08Å; S69-P90 VanDerWaalsContact C-CD 3.41Å
70	M	86.9	Confident	91	Very high	72 Å²	72	53.6 Å²	53.6	36%	0.355	26%	0.256	S	S	.	.	S	Bend	trans	-60	-28.9	177.7	-69.3	-62.1	-65	0	0	113.1	P90 L92	M70-P90 HydrophobicContact SD-CB 4.19Å; M70-L92 HydrophobicContact CE-CB 3.95Å; M70-L92 HydrophobicContact CE-CD2 3.87Å; M70-L92 HydrophobicContact CE-CG 4.37Å; M70-L92 HydrophobicContact SD-CB 4.35Å
71	E	87.7	Confident	90.2	Very high	180 Å²	180	52 Å²	52	84%	0.841	26%	0.261	S	S	*	.	S	Bend	trans	-78.2	-28.5	174.6	-63.7	-176.2	176.1	0	0	112.7	S69	S69-E71 PolarHBondContact O-N 2.75Å
72	K	89.2	Confident	89.4	Confident	87 Å²	87	58.6 Å²	58.6	38%	0.378	29%	0.289	S	S	.	.	S	Bend	trans	-133.5	74.4	-177.7	-62.9	175.4	-175.1	170.2	0	109.6	S69	S69-K72 PolarHBondContact N-O 3.24Å; S69-K72 VanDerWaalsContact N-O 3.17Å; S69-K72 CarbonylContact O-C 3.54Å; S69-K72 PolarHBondContact O-N 3.43Å; S69-K72 VanDerWaalsContact O-O 3.09Å; S69-K72 PolarHBondContact OG-N 3Å
73	P	92.2	Very high	88.5	Confident	28 Å²	28	58.3 Å²	58.3	18%	0.182	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-73.9	155.5	-175.1	28.9	-34.5	0	0	0	111.4	S69 L75 Q88 L89 T130	S69-P73 WeakPolarHBondContact O-CA 3.45Å; S69-P73 VanDerWaalsContact O-N 3.08Å; P73-L75 HydrophobicContact CB-CD2 4.46Å; P73-L75 HydrophobicContact CG-CD2 4.27Å; P73-Q88 HydrophobicContact CB-CB 4.22Å; P73-L89 CarbonylContact C-O 3.26Å; P73-L89 VanDerWaalsContact CA-O 3.25Å; P73-L89 WeakPolarHBondContact CA-O 3.48Å; P73-T130 PolarHBondContact O-OG1 3.3Å
74	L	93.5	Very high	88.1	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	117.1	159.6	-179.5	67.3	0	0	0	107.4	I38 V63 A68 I76 Q88 L89 L128 F138	I38-L74 HydrophobicContact CG2-CD1 3.65Å; V63-L74 HydrophobicContact CG1-CD2 4.12Å; A68-L74 HydrophobicContact CB-CB 4.07Å; L74-I76 HydrophobicContact CD2-CD1 4.44Å; L74-I76 HydrophobicContact CG-CD1 4.16Å; L74-I76 HydrophobicContact CG-CG1 4.41Å; L74-I76 VanDerWaalsContact O-CD1 3.27Å; L74-I76 WeakPolarHBondContact O-CD1 3.48Å; L74-Q88 CarbonylContact O-C 3.59Å; L74-Q88 VanDerWaalsContact O-CA 3.28Å; L74-Q88 WeakPolarHBondContact O-CA 3.22Å; L74-L89 HydrophobicContact CB-CB 4.36Å; L74-L89 PolarHBondContact N-O 3.45Å; L74-L89 PolarHBondContact O-N 2.82Å; L74-L128 HydrophobicContact CD1-CB 4.33Å; L74-L128 HydrophobicContact CD1-CD2 4.36Å; L74-L128 HydrophobicContact CD2-CD2 4.08Å; L74-L128 HydrophobicContact CG-CD2 4.41Å; L74-F138 HydrophobicContact CD2-CB 3.61Å; L74-F138 HydrophobicContact CD2-CD1 4.39Å; L74-F138 HydrophobicContact CD2-CG 4.03Å
75	L	93.8	Very high	87.9	Confident	77 Å²	77	60.2 Å²	60.2	40%	0.403	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.9	178.7	-58.8	170	0	0	0	109.2	P73 Q88 L128 S129	P73-L75 HydrophobicContact CB-CD2 4.46Å; P73-L75 HydrophobicContact CG-CD2 4.27Å; L75-Q88 HydrophobicContact CD2-CB 3.84Å; L75-L128 CarbonylContact O-C 3.59Å; L75-L128 WeakPolarHBondContact O-CA 3.23Å; L75-S129 PolarHBondContact N-O 2.85Å; L75-S129 PolarHBondContact O-N 3.26Å
76	I	94.9	Very high	87.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.5	-177.2	-54.9	97.1	0	0	0	109.1	V63 L74 S86 W87 L89 I126 E127 L128	V63-I76 HydrophobicContact CB-CG1 4.4Å; V63-I76 HydrophobicContact CG1-CD1 4.32Å; V63-I76 HydrophobicContact CG1-CG1 4.11Å; V63-I76 HydrophobicContact CG2-CG1 4.23Å; V63-I76 HydrophobicContact CG2-CG2 4.1Å; L74-I76 HydrophobicContact CD2-CD1 4.44Å; L74-I76 HydrophobicContact CG-CD1 4.16Å; L74-I76 HydrophobicContact CG-CG1 4.41Å; L74-I76 VanDerWaalsContact O-CD1 3.27Å; L74-I76 WeakPolarHBondContact O-CD1 3.48Å; I76-S86 WeakPolarHBondContact O-CA 3.46Å; I76-W87 HydrophobicContact CB-CD2 4.14Å; I76-W87 HydrophobicContact CB-CZ2 4.15Å; I76-W87 HydrophobicContact CG2-CD2 4.33Å; I76-W87 HydrophobicContact CG2-CE3 4.49Å; I76-W87 HydrophobicContact CG2-CH2 3.78Å; I76-W87 HydrophobicContact CG2-CZ2 3.57Å; I76-W87 HydrophobicContact CG2-CZ3 4.24Å; I76-W87 PolarHBondContact N-O 3.49Å; I76-W87 PolarHBondContact O-N 2.85Å; I76-L89 HydrophobicContact CD1-CB 4.43Å; I76-L89 HydrophobicContact CD1-CD1 4.26Å; I76-L89 HydrophobicContact CD1-CG 3.97Å; I76-I126 HydrophobicContact CG2-CG2 4.02Å; I76-E127 CarbonylContact C-O 3.54Å; I76-E127 WeakPolarHBondContact CA-O 3.33Å; I76-L128 HydrophobicContact CG1-CD2 4.16Å
77	V	94.1	Very high	88	Confident	37 Å²	37	59.9 Å²	59.9	22%	0.224	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	110.6	172.7	-176.5	0	0	0	0	108.6	I84 L85 E127	V77-I84 HydrophobicContact CG1-CD1 3.74Å; V77-I84 HydrophobicContact CG1-CG1 3.77Å; V77-L85 WeakPolarHBondContact CA-O 3.46Å; V77-E127 HydrophobicContact CB-CB 4.24Å; V77-E127 PolarHBondContact N-O 3.32Å; V77-E127 PolarHBondContact O-N 3.01Å
78	A	91.5	Very high	88.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.1	171.7	0	0	0	0	0	109.1	V61 I84 L85 W87 L106 Y125	V61-A78 HydrophobicContact CG2-CB 4.29Å; A78-I84 WeakPolarHBondContact O-CA 3.3Å; A78-L85 PolarHBondContact N-O 3.43Å; A78-L85 PolarHBondContact O-N 2.84Å; A78-W87 HydrophobicContact CB-CH2 3.94Å; A78-W87 HydrophobicContact CB-CZ3 3.88Å; A78-L106 HydrophobicContact CB-CD1 4.22Å; A78-L106 HydrophobicContact CB-CD2 4.1Å; A78-L106 HydrophobicContact CB-CG 4.47Å; A78-Y125 WeakPolarHBondContact CA-O 3.24Å
79	R	88.4	Confident	88.3	Confident	75 Å²	75	57.4 Å²	57.4	28%	0.283	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132	179.2	64.5	177.9	-162.3	-166.9	5.2	111	T83 I84 Y125 E127	R79-T83 WeakPolarHBondContact CA-O 3.31Å; R79-I84 HydrophobicContact CB-CG1 4.31Å; R79-Y125 HydrophobicContact CG-CD2 3.94Å; R79-Y125 HydrophobicContact CG-CG 4.18Å; R79-Y125 PolarHBondContact N-O 3.31Å; R79-Y125 PolarHBondContact O-N 3.44Å; R79-E127 IonicContact CZ-OE1 2.64Å; R79-E127 IonicContact NE-OE1 3.57Å; R79-E127 PolarHBondContact NE-OE1 3.37Å; R79-E127 IonicContact NH1-OE1 3.39Å; R79-E127 PolarHBondContact NH1-OE1 2.9Å; R79-E127 IonicContact NH2-OE1 3.75Å
80	E	80.5	Confident	88.4	Confident	29 Å²	29	55.3 Å²	55.3	14%	0.136	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	170.2	170	-167.4	175.7	-157.5	0	0	107.8	K82 T83 L106	E80-K82 PolarHBondContact O-N 2.79Å; E80-T83 PolarHBondContact N-O 3.46Å; E80-T83 PolarHBondContact O-N 3.29Å; E80-T83 VanDerWaalsContact O-N 3.1Å; E80-T83 VanDerWaalsContact O-O 3.06Å; E80-L106 HydrophobicContact CB-CD1 4.43Å
81	S	73.6	Confident	88.5	Confident	69 Å²	69	53.3 Å²	53.3	48%	0.483	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.3	-43.1	-167.1	56.8	0	0	0	0	116.3
82	K	73.7	Confident	88.5	Confident	138 Å²	138	47.5 Å²	47.5	60%	0.6	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.9	0.3	179.9	-66.4	-177.1	-172.3	146.7	0	114.4	E80 D109	E80-K82 PolarHBondContact O-N 2.79Å; K82-D109 WeakPolarHBondContact CD-OD2 3.5Å; K82-D109 WeakPolarHBondContact CE-OD2 3.45Å; K82-D109 IonicContact NZ-OD1 3.88Å; K82-D109 PolarHBondContact NZ-OD1 2.91Å; K82-D109 IonicContact NZ-OD2 3.09Å; K82-D109 PolarHBondContact NZ-OD2 3.43Å
83	T	76.7	Confident	88.1	Confident	30 Å²	30	44.4 Å²	44.4	18%	0.184	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.8	-172.4	62.5	0	0	0	0	110.5	R79 E80 C107	R79-T83 WeakPolarHBondContact CA-O 3.31Å; E80-T83 PolarHBondContact N-O 3.46Å; E80-T83 PolarHBondContact O-N 3.29Å; E80-T83 VanDerWaalsContact O-N 3.1Å; E80-T83 VanDerWaalsContact O-O 3.06Å; T83-C107 HydrophobicContact CG2-CB 4.06Å; T83-C107 WeakPolarHBondContact CG2-O 3.42Å
84	I	87.8	Confident	87.3	Confident	126 Å²	126	46.1 Å²	46.1	65%	0.646	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.2	176.1	-172.1	168.9	0	0	0	107.8	V77 A78 R79	V77-I84 HydrophobicContact CG1-CD1 3.74Å; V77-I84 HydrophobicContact CG1-CG1 3.77Å; A78-I84 WeakPolarHBondContact O-CA 3.3Å; R79-I84 HydrophobicContact CB-CG1 4.31Å
85	L	89	Confident	86.4	Confident	33 Å²	33	53 Å²	53	17%	0.173	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.9	177.8	-171.7	66.8	0	0	0	108.7	V77 A78 W87 R104 L106	V77-L85 WeakPolarHBondContact CA-O 3.46Å; A78-L85 PolarHBondContact N-O 3.43Å; A78-L85 PolarHBondContact O-N 2.84Å; L85-W87 HydrophobicContact CB-CZ3 4.32Å; L85-W87 HydrophobicContact CD2-CE3 4.38Å; L85-W87 HydrophobicContact CD2-CZ3 4.14Å; L85-W87 HydrophobicContact CG-CE3 4.09Å; L85-W87 HydrophobicContact CG-CZ3 4.1Å; L85-R104 HydrophobicContact CD2-CB 3.52Å; L85-R104 HydrophobicContact CD2-CG 4.17Å; L85-L106 HydrophobicContact CB-CD2 3.86Å
86	S	92.7	Very high	85.4	Confident	86 Å²	86	53.2 Å²	53.2	60%	0.601	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.1	177.8	59.4	0	0	0	0	111.3	I76	I76-S86 WeakPolarHBondContact O-CA 3.46Å
87	W	92.8	Very high	84.6	Confident	22 Å²	22	54.4 Å²	54.4	8%	0.083	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	172.6	174.4	65.9	100.1	0	0	0	109.7	V61 V63 I76 A78 L85 R104	V61-W87 HydrophobicContact CB-CH2 3.99Å; V61-W87 HydrophobicContact CB-CZ2 4.41Å; V61-W87 HydrophobicContact CG1-CH2 3.86Å; V61-W87 HydrophobicContact CG1-CZ2 3.98Å; V63-W87 HydrophobicContact CG2-CZ2 4.03Å; I76-W87 HydrophobicContact CB-CD2 4.14Å; I76-W87 HydrophobicContact CB-CZ2 4.15Å; I76-W87 HydrophobicContact CG2-CD2 4.33Å; I76-W87 HydrophobicContact CG2-CE3 4.49Å; I76-W87 HydrophobicContact CG2-CH2 3.78Å; I76-W87 HydrophobicContact CG2-CZ2 3.57Å; I76-W87 HydrophobicContact CG2-CZ3 4.24Å; I76-W87 PolarHBondContact N-O 3.49Å; I76-W87 PolarHBondContact O-N 2.85Å; A78-W87 HydrophobicContact CB-CH2 3.94Å; A78-W87 HydrophobicContact CB-CZ3 3.88Å; L85-W87 HydrophobicContact CB-CZ3 4.32Å; L85-W87 HydrophobicContact CD2-CE3 4.38Å; L85-W87 HydrophobicContact CD2-CZ3 4.14Å; L85-W87 HydrophobicContact CG-CE3 4.09Å; L85-W87 HydrophobicContact CG-CZ3 4.1Å; W87-R104 HydrophobicContact CD2-CB 4.42Å; W87-R104 HydrophobicContact CD2-CG 3.52Å; W87-R104 HydrophobicContact CE3-CB 4.14Å; W87-R104 HydrophobicContact CE3-CG 3.63Å; W87-R104 HydrophobicContact CG-CG 4.03Å; W87-R104 HydrophobicContact CH2-CB 3.91Å; W87-R104 HydrophobicContact CH2-CG 4.03Å; W87-R104 HydrophobicContact CZ2-CB 4.17Å; W87-R104 HydrophobicContact CZ2-CG 3.91Å; W87-R104 HydrophobicContact CZ3-CB 3.89Å; W87-R104 HydrophobicContact CZ3-CG 3.9Å
88	Q	93.7	Very high	84.2	Confident	70 Å²	70	56.4 Å²	56.4	33%	0.327	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.7	178.5	64.6	177.4	60	0	0	111	P73 L74 L75 P90 L91	P73-Q88 HydrophobicContact CB-CB 4.22Å; L74-Q88 CarbonylContact O-C 3.59Å; L74-Q88 VanDerWaalsContact O-CA 3.28Å; L74-Q88 WeakPolarHBondContact O-CA 3.22Å; L75-Q88 HydrophobicContact CD2-CB 3.84Å; Q88-P90 CarbonylContact O-C 3.59Å; Q88-L91 PolarHBondContact O-N 2.84Å
89	L	93.2	Very high	84	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.9	164.2	-68	177.4	0	0	0	109.7	V63 A68 P73 L74 I76 L91 A102	V63-L89 HydrophobicContact CB-CD1 3.98Å; V63-L89 HydrophobicContact CG1-CD1 3.69Å; V63-L89 WeakPolarHBondContact O-CD1 3.34Å; A68-L89 WeakPolarHBondContact CB-O 3.38Å; P73-L89 CarbonylContact C-O 3.26Å; P73-L89 VanDerWaalsContact CA-O 3.25Å; P73-L89 WeakPolarHBondContact CA-O 3.48Å; L74-L89 HydrophobicContact CB-CB 4.36Å; L74-L89 PolarHBondContact N-O 3.45Å; L74-L89 PolarHBondContact O-N 2.82Å; I76-L89 HydrophobicContact CD1-CB 4.43Å; I76-L89 HydrophobicContact CD1-CD1 4.26Å; I76-L89 HydrophobicContact CD1-CG 3.97Å; L89-L91 HydrophobicContact CD2-CB 4.45Å; L89-A102 HydrophobicContact CD2-CB 3.65Å
90	P	91.7	Very high	84.1	Confident	2 Å²	2	58 Å²	58	1%	0.013	30%	0.296	C	S	.	.	S	Bend	cis	-65.8	142.4	-3.9	-18.7	32.6	0	0	0	112.9	A68 S69 M70 Q88 Y99 N100	A68-P90 WeakPolarHBondContact O-CG 3.19Å; S69-P90 VanDerWaalsContact C-CD 3.41Å; M70-P90 HydrophobicContact SD-CB 4.19Å; Q88-P90 CarbonylContact O-C 3.59Å; P90-Y99 CarbonylContact C-O 3.29Å; P90-Y99 VanDerWaalsContact CA-O 3.31Å; P90-Y99 WeakPolarHBondContact CA-O 3.46Å; P90-N100 WeakPolarHBondContact CB-OD1 3.5Å; P90-N100 WeakPolarHBondContact CG-OD1 3.25Å
91	L	89	Confident	84.6	Confident	31 Å²	31	59.6 Å²	59.6	16%	0.162	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.4	174.3	-180	68.3	0	0	0	109.1	Q88 L89 L93 Q98 Y99 A102 L185	Q88-L91 PolarHBondContact O-N 2.84Å; L89-L91 HydrophobicContact CD2-CB 4.45Å; L91-L93 HydrophobicContact CD2-CD2 4.27Å; L91-L93 HydrophobicContact CG-CD2 4.35Å; L91-Q98 WeakPolarHBondContact O-CA 3.37Å; L91-Y99 PolarHBondContact N-O 3.44Å; L91-Y99 PolarHBondContact O-N 3.42Å; L91-A102 HydrophobicContact CB-CB 4.46Å; L91-A102 HydrophobicContact CD2-CB 4.18Å; L91-L185 HydrophobicContact CD2-CD2 4.45Å
92	L	85.8	Confident	85.4	Confident	57 Å²	57	56.6 Å²	56.6	30%	0.298	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.3	179.9	-173.4	71.4	0	0	0	111	M70 F97 Q98	M70-L92 HydrophobicContact CE-CB 3.95Å; M70-L92 HydrophobicContact CE-CD2 3.87Å; M70-L92 HydrophobicContact CE-CG 4.37Å; M70-L92 HydrophobicContact SD-CB 4.35Å; L92-F97 WeakPolarHBondContact CA-O 3.47Å; L92-Q98 HydrophobicContact CD1-CG 3.65Å
93	L	82.6	Confident	86.2	Confident	22 Å²	22	52.9 Å²	52.9	12%	0.115	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.1	174.8	-61.1	-178.9	0	0	0	110.9	L91 N95 K96 F97 Y99 A222	L91-L93 HydrophobicContact CD2-CD2 4.27Å; L91-L93 HydrophobicContact CG-CD2 4.35Å; L93-N95 PolarHBondContact O-N 3.24Å; L93-K96 PolarHBondContact O-N 3.49Å; L93-F97 HydrophobicContact CB-CB 4.45Å; L93-F97 PolarHBondContact N-O 3.43Å; L93-F97 PolarHBondContact O-N 2.87Å; L93-Y99 HydrophobicContact CD1-CD2 4.08Å; L93-Y99 HydrophobicContact CD1-CE2 3.8Å; L93-Y99 HydrophobicContact CG-CD2 4.36Å; L93-Y99 HydrophobicContact CG-CE2 4.34Å; L93-A222 HydrophobicContact CB-CB 4.19Å; L93-A222 HydrophobicContact CD1-CB 4.18Å
94	E	73.6	Confident	86.9	Confident	65 Å²	65	52.3 Å²	52.3	30%	0.304	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	23	-178.3	-59.5	-170	166.4	0	0	115.1	K96 F97 K221	E94-K96 PolarHBondContact O-N 3.45Å; E94-F97 HydrophobicContact CB-CD2 4.38Å; E94-K221 IonicContact OE1-NZ 3.84Å; E94-K221 PolarHBondContact OE1-NZ 2.84Å
95	N	74.8	Confident	86.8	Confident	143 Å²	143	47 Å²	47	77%	0.765	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	21.6	-170.8	-64.7	-19.6	0	0	0	114.8	L93	L93-N95 PolarHBondContact O-N 3.24Å
96	K	73.6	Confident	86.6	Confident	82 Å²	82	45.6 Å²	45.6	36%	0.357	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.9	-37.2	-173.8	-70.5	176.4	-174.1	172.6	0	114	L93 E94 P238	L93-K96 PolarHBondContact O-N 3.49Å; E94-K96 PolarHBondContact O-N 3.45Å; K96-P238 WeakPolarHBondContact O-CA 3.36Å; K96-P238 WeakPolarHBondContact O-CB 3.45Å
97	F	78.4	Confident	85.9	Confident	25 Å²	25	42 Å²	42	11%	0.11	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.1	-172.8	-55.3	-80.4	0	0	0	109.6	L92 L93 E94 Y99 A222 N223	L92-F97 WeakPolarHBondContact CA-O 3.47Å; L93-F97 HydrophobicContact CB-CB 4.45Å; L93-F97 PolarHBondContact N-O 3.43Å; L93-F97 PolarHBondContact O-N 2.87Å; E94-F97 HydrophobicContact CB-CD2 4.38Å; F97-Y99 HydrophobicContact CB-CE2 3.72Å; F97-A222 HydrophobicContact CB-CB 4.12Å; F97-A222 HydrophobicContact CD2-CB 3.56Å; F97-A222 HydrophobicContact CE2-CB 4.12Å; F97-A222 HydrophobicContact CG-CB 3.88Å; F97-N223 HydrophobicContact CE2-CB 4.05Å; F97-N223 HydrophobicContact CZ-CB 4.06Å
98	Q	84.5	Confident	84.9	Confident	79 Å²	79	41.9 Å²	41.9	37%	0.369	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131	-177.3	-64.8	-178.8	11.5	0	0	109.5	L91 L92	L91-Q98 WeakPolarHBondContact O-CA 3.37Å; L92-Q98 HydrophobicContact CD1-CG 3.65Å
99	Y	87.3	Confident	83.6	Confident	62 Å²	62	40.6 Å²	40.6	24%	0.243	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.5	179.8	-65.6	-87.2	0	0	0	111.2	P90 L91 L93 F97 V101	P90-Y99 CarbonylContact C-O 3.29Å; P90-Y99 VanDerWaalsContact CA-O 3.31Å; P90-Y99 WeakPolarHBondContact CA-O 3.46Å; L91-Y99 PolarHBondContact N-O 3.44Å; L91-Y99 PolarHBondContact O-N 3.42Å; L93-Y99 HydrophobicContact CD1-CD2 4.08Å; L93-Y99 HydrophobicContact CD1-CE2 3.8Å; L93-Y99 HydrophobicContact CG-CD2 4.36Å; L93-Y99 HydrophobicContact CG-CE2 4.34Å; F97-Y99 HydrophobicContact CB-CE2 3.72Å; Y99-V101 PolarHBondContact O-N 3.4Å
100	N	90.5	Very high	82	Confident	48 Å²	48	43.2 Å²	43.2	26%	0.257	22%	0.223	S	C	.	.	S	Bend	trans	-84.9	2.3	176.6	-70.8	-19.3	0	0	0	113	R64 S65 L66 P90	R64-N100 CarbonylContact C-O 3.51Å; R64-N100 WeakPolarHBondContact CA-O 3.46Å; S65-N100 PolarHBondContact N-O 3.37Å; S65-N100 VanDerWaalsContact O-CB 3.31Å; S65-N100 WeakPolarHBondContact O-CB 3.36Å; L66-N100 HydrophobicContact CD2-CB 4.07Å; P90-N100 WeakPolarHBondContact CB-OD1 3.5Å; P90-N100 WeakPolarHBondContact CG-OD1 3.25Å
101	V	91.4	Very high	80.2	Confident	62 Å²	62	49.9 Å²	49.9	38%	0.376	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132	175.9	-174.8	0	0	0	0	107.8	T62 V63 R64 Y99	T62-V101 HydrophobicContact CG2-CG1 4.16Å; V63-V101 WeakPolarHBondContact O-CA 3.4Å; R64-V101 HydrophobicContact CB-CG1 4.41Å; R64-V101 HydrophobicContact CB-CG2 3.92Å; R64-V101 HydrophobicContact CG-CG2 3.69Å; Y99-V101 PolarHBondContact O-N 3.4Å
102	A	90.8	Very high	78.4	Confident	6 Å²	6	51.5 Å²	51.5	5%	0.05	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.7	173.6	0	0	0	0	0	110.5	V63 L89 L91	V63-A102 PolarHBondContact N-O 3.23Å; V63-A102 PolarHBondContact O-N 3.07Å; L89-A102 HydrophobicContact CD2-CB 3.65Å; L91-A102 HydrophobicContact CB-CB 4.46Å; L91-A102 HydrophobicContact CD2-CB 4.18Å
103	S	90.9	Very high	76.5	Confident	59 Å²	59	54 Å²	54	41%	0.413	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.8	170.9	-59.4	0	0	0	0	109.6	V61 T62	V61-S103 CarbonylContact O-C 3.51Å; V61-S103 VanDerWaalsContact O-CA 3.31Å; V61-S103 WeakPolarHBondContact O-CA 3.4Å; T62-S103 WeakPolarHBondContact CB-OG 3.45Å; T62-S103 VanDerWaalsContact CG2-OG 3.26Å; T62-S103 WeakPolarHBondContact CG2-OG 3.25Å; T62-S103 PolarHBondContact OG1-OG 3.49Å
104	R	90.1	Very high	74.7	Confident	18 Å²	18	61.7 Å²	61.7	7%	0.068	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.7	179.2	-59.3	-65.8	-65	147.3	10.4	110.1	R60 V61 L85 W87 D184	R60-R104 WeakPolarHBondContact CA-O 3.47Å; V61-R104 PolarHBondContact N-O 2.84Å; V61-R104 PolarHBondContact O-N 3.06Å; L85-R104 HydrophobicContact CD2-CB 3.52Å; L85-R104 HydrophobicContact CD2-CG 4.17Å; W87-R104 HydrophobicContact CD2-CB 4.42Å; W87-R104 HydrophobicContact CD2-CG 3.52Å; W87-R104 HydrophobicContact CE3-CB 4.14Å; W87-R104 HydrophobicContact CE3-CG 3.63Å; W87-R104 HydrophobicContact CG-CG 4.03Å; W87-R104 HydrophobicContact CH2-CB 3.91Å; W87-R104 HydrophobicContact CH2-CG 4.03Å; W87-R104 HydrophobicContact CZ2-CB 4.17Å; W87-R104 HydrophobicContact CZ2-CG 3.91Å; W87-R104 HydrophobicContact CZ3-CB 3.89Å; W87-R104 HydrophobicContact CZ3-CG 3.9Å; R104-D184 IonicContact CZ-OD1 3.4Å; R104-D184 IonicContact CZ-OD2 3.49Å; R104-D184 IonicContact NH1-OD1 2.68Å; R104-D184 PolarHBondContact NH1-OD1 3.4Å; R104-D184 IonicContact NH1-OD2 3.3Å; R104-D184 PolarHBondContact NH1-OD2 3.42Å; R104-D184 IonicContact NH2-OD1 3.92Å; R104-D184 PolarHBondContact NH2-OD1 3.4Å; R104-D184 IonicContact NH2-OD2 2.68Å
105	T	86.9	Confident	73.2	Confident	15 Å²	15	66.7 Å²	66.7	9%	0.092	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.5	177.2	-58	0	0	0	0	110.4	V58 V59 R60 F148	V58-T105 HydrophobicContact CG1-CG2 3.29Å; V59-T105 WeakPolarHBondContact O-CA 3.41Å; R60-T105 PolarHBondContact NE-OG1 2.81Å; R60-T105 PolarHBondContact NH2-OG1 2.92Å; T105-F148 HydrophobicContact CG2-CD2 4.34Å; T105-F148 HydrophobicContact CG2-CE2 3.64Å; T105-F148 HydrophobicContact CG2-CZ 4.12Å
106	L	85.3	Confident	71.5	Confident	3 Å²	3	65 Å²	65	2%	0.016	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-74.9	146.4	174.2	-72.1	166.4	0	0	0	110.4	V58 V59 V61 A78 E80 L85 L124	V58-L106 WeakPolarHBondContact CG1-O 3.35Å; V59-L106 HydrophobicContact CB-CD1 4.26Å; V59-L106 PolarHBondContact O-N 3.34Å; V61-L106 HydrophobicContact CG2-CD1 4.48Å; A78-L106 HydrophobicContact CB-CD1 4.22Å; A78-L106 HydrophobicContact CB-CD2 4.1Å; A78-L106 HydrophobicContact CB-CG 4.47Å; E80-L106 HydrophobicContact CB-CD1 4.43Å; L85-L106 HydrophobicContact CB-CD2 3.86Å; L106-L124 HydrophobicContact CD1-CD1 3.32Å
107	C	77.9	Confident	69.9	Low	12 Å²	12	66.3 Å²	66.3	8%	0.081	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-77.3	131.2	179.4	-145.8	0	0	0	0	110.2	T83 C180	T83-C107 HydrophobicContact CG2-CB 4.06Å; T83-C107 WeakPolarHBondContact CG2-O 3.42Å; C107-C180 HydrophobicContact CB-CB 3.7Å; C107-C180 WeakPolarHBondContact CB-SG 3.4Å; C107-C180 VanDerWaalsContact SG-CA 3.56Å; C107-C180 WeakPolarHBondContact SG-CB 3.39Å; C107-C180 CovalentContact SG-SG 2.01Å; C107-C180 PolarHBondContact SG-SG 3.48Å
108	P	70	Confident	68.2	Low	18 Å²	18	69.4 Å²	69.4	12%	0.117	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-75.1	154.7	177	30.9	-34.6	0	0	0	112.2	V58 F110 F148	V58-P108 HydrophobicContact CG2-CB 3.83Å; V58-P108 HydrophobicContact CG2-CG 3.7Å; P108-F110 HydrophobicContact CB-CZ 4.47Å; P108-F110 HydrophobicContact CG-CD1 4.31Å; P108-F110 HydrophobicContact CG-CD2 4.32Å; P108-F110 HydrophobicContact CG-CE1 3.61Å; P108-F110 HydrophobicContact CG-CE2 3.62Å; P108-F110 HydrophobicContact CG-CZ 3.22Å; P108-F110 VanDerWaalsContact O-CD2 3.23Å; P108-F110 WeakPolarHBondContact O-CD2 3.12Å; P108-F110 WeakPolarHBondContact O-CE2 3.46Å; P108-F110 PolarHBondContact O-N 2.99Å; P108-F148 HydrophobicContact CG-CD1 4.24Å; P108-F148 HydrophobicContact CG-CE1 4.15Å
109	D	66.6	Low	66.5	Low	44 Å²	44	72.4 Å²	72.4	24%	0.235	42%	0.421	C	S	.	.			trans	-81.5	95.3	174.9	-164.2	-6	0	0	0	110.3	K82 N111 R122	K82-D109 WeakPolarHBondContact CD-OD2 3.5Å; K82-D109 WeakPolarHBondContact CE-OD2 3.45Å; K82-D109 IonicContact NZ-OD1 3.88Å; K82-D109 PolarHBondContact NZ-OD1 2.91Å; K82-D109 IonicContact NZ-OD2 3.09Å; K82-D109 PolarHBondContact NZ-OD2 3.43Å; D109-N111 VanDerWaalsContact C-N 3.3Å; D109-N111 PolarHBondContact O-N 3.39Å; D109-R122 IonicContact OD2-NH1 2.66Å
110	F	60.9	Low	64.9	Low	54 Å²	54	75.2 Å²	75.2	24%	0.237	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-74.4	-13.6	-174.1	-64.2	-78.1	0	0	0	114.8	P108 E112 I178 H215	P108-F110 HydrophobicContact CB-CZ 4.47Å; P108-F110 HydrophobicContact CG-CD1 4.31Å; P108-F110 HydrophobicContact CG-CD2 4.32Å; P108-F110 HydrophobicContact CG-CE1 3.61Å; P108-F110 HydrophobicContact CG-CE2 3.62Å; P108-F110 HydrophobicContact CG-CZ 3.22Å; P108-F110 VanDerWaalsContact O-CD2 3.23Å; P108-F110 WeakPolarHBondContact O-CD2 3.12Å; P108-F110 WeakPolarHBondContact O-CE2 3.46Å; P108-F110 PolarHBondContact O-N 2.99Å; F110-E112 PolarHBondContact O-N 2.82Å; F110-I178 HydrophobicContact CD1-CD1 4.5Å; F110-I178 HydrophobicContact CD1-CG2 3.81Å; F110-I178 HydrophobicContact CD2-CG2 3.57Å; F110-I178 HydrophobicContact CE1-CD1 4.1Å; F110-I178 HydrophobicContact CE1-CG2 3.71Å; F110-I178 HydrophobicContact CE2-CG2 3.46Å; F110-I178 VanDerWaalsContact CE2-CG2 3.46Å; F110-I178 HydrophobicContact CG-CG2 3.73Å; F110-I178 HydrophobicContact CZ-CG2 3.51Å; F110-H215 AromaticContact CZ-CE1 3.55Å; F110-H215 AromaticContact CZ-NE2 3.55Å
111	N	54.2	Low	63.4	Low	142 Å²	142	79.1 Å²	79.1	76%	0.759	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-78.3	-2.2	-173.2	-83.5	-0.3	0	0	0	114.3	D109	D109-N111 VanDerWaalsContact C-N 3.3Å; D109-N111 PolarHBondContact O-N 3.39Å
112	E	49.4	Very low	62.2	Low	66 Å²	66	77.8 Å²	77.8	31%	0.308	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-107.2	5.6	-167.4	-77.2	-172.4	173.2	0	0	116.3	F110 Q114 R122	F110-E112 PolarHBondContact O-N 2.82Å; E112-Q114 PolarHBondContact O-N 2.69Å; E112-Q114 VanDerWaalsContact O-N 3.09Å; E112-R122 VanDerWaalsContact CD-NH1 3.31Å; E112-R122 IonicContact OE1-CZ 3.91Å; E112-R122 IonicContact OE1-NH1 3.24Å; E112-R122 PolarHBondContact OE1-NH1 2.94Å; E112-R122 IonicContact OE1-NH2 3.82Å; E112-R122 PolarHBondContact OE1-NH2 3.19Å; E112-R122 IonicContact OE2-CZ 3.42Å; E112-R122 IonicContact OE2-NH1 3.43Å; E112-R122 PolarHBondContact OE2-NH1 3.14Å; E112-R122 IonicContact OE2-NH2 3.84Å; E112-R122 PolarHBondContact OE2-NH2 3.31Å
113	T	46.6	Very low	61.6	Low	109 Å²	109	79.1 Å²	79.1	67%	0.669	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	0.1	172.9	43.2	0	0	0	0	114.4
114	Q	44.3	Very low	61.4	Low	183 Å²	183	76.3 Å²	76.3	86%	0.855	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-8.9	179.7	-73.2	-174.6	-2.1	0	0	115.9	E112	E112-Q114 PolarHBondContact O-N 2.69Å; E112-Q114 VanDerWaalsContact O-N 3.09Å
115	E	42.9	Very low	61.3	Low	170 Å²	170	78.6 Å²	78.6	79%	0.794	44%	0.444	S	S	*	.			trans	-123.9	84.5	175.2	-76.2	-173	165.4	0	0	111.2	S117	E115-S117 VanDerWaalsContact C-N 3.34Å; E115-S117 PolarHBondContact O-N 3.44Å
116	A	38.4	Very low	61.6	Low	108 Å²	108	77.9 Å²	77.9	89%	0.893	44%	0.439	S	S	*	.			trans	-68.4	87.5	171.2	0	0	0	0	0	110.8
117	S	40.4	Very low	61.9	Low	109 Å²	109	79.3 Å²	79.3	76%	0.762	45%	0.446	S	S	*	.			trans	-113.4	88.4	151.9	-79.4	0	0	0	0	109	E115 T119	E115-S117 VanDerWaalsContact C-N 3.34Å; E115-S117 PolarHBondContact O-N 3.44Å; S117-T119 PolarHBondContact O-N 2.85Å; S117-T119 VanDerWaalsContact O-N 3.15Å
118	A	43.8	Very low	62.6	Low	90 Å²	90	78.7 Å²	78.7	74%	0.744	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	103	172.8	0	0	0	0	0	110.2
119	T	48.5	Very low	63.7	Low	143 Å²	143	79.5 Å²	79.5	88%	0.877	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	176.4	1	155	21	0	0	0	0	116.4	S117 M121	S117-T119 PolarHBondContact O-N 2.85Å; S117-T119 VanDerWaalsContact O-N 3.15Å; T119-M121 PolarHBondContact O-N 2.95Å
120	L	54.1	Low	64.8	Low	120 Å²	120	78 Å²	78	63%	0.628	44%	0.44	S	S	*	.			trans	-84.1	108.1	-179	-156.8	77.1	0	0	0	111.7	R122	L120-R122 HydrophobicContact CD2-CG 4.49Å; L120-R122 PolarHBondContact O-N 3.2Å
121	M	57.7	Low	66	Low	131 Å²	131	82.4 Å²	82.4	65%	0.645	47%	0.466	S	S	*	.			trans	-61.4	124	166.5	-83.8	-177.1	-147.4	0	0	109.4	T119 P123	T119-M121 PolarHBondContact O-N 2.95Å; M121-P123 VanDerWaalsContact O-CD 3.31Å; M121-P123 WeakPolarHBondContact O-CD 3.45Å
122	R	67.3	Low	67.5	Low	34 Å²	34	75.9 Å²	75.9	13%	0.128	43%	0.432	C	S	.	.			trans	-114.7	87.2	175.3	-69.2	-179.8	-175.3	-177.5	2.9	109	Q52 D109 E112 L120 L124	Q52-R122 VanDerWaalsContact CB-O 3.26Å; Q52-R122 WeakPolarHBondContact CB-O 3.3Å; Q52-R122 PolarHBondContact OE1-O 3.17Å; D109-R122 IonicContact OD2-NH1 2.66Å; E112-R122 VanDerWaalsContact CD-NH1 3.31Å; E112-R122 IonicContact OE1-CZ 3.91Å; E112-R122 IonicContact OE1-NH1 3.24Å; E112-R122 PolarHBondContact OE1-NH1 2.94Å; E112-R122 IonicContact OE1-NH2 3.82Å; E112-R122 PolarHBondContact OE1-NH2 3.19Å; E112-R122 IonicContact OE2-CZ 3.42Å; E112-R122 IonicContact OE2-NH1 3.43Å; E112-R122 PolarHBondContact OE2-NH1 3.14Å; E112-R122 IonicContact OE2-NH2 3.84Å; E112-R122 PolarHBondContact OE2-NH2 3.31Å; L120-R122 HydrophobicContact CD2-CG 4.49Å; L120-R122 PolarHBondContact O-N 3.2Å; R122-L124 PolarHBondContact O-N 2.71Å
123	P	77.5	Confident	69.1	Low	33 Å²	33	77.1 Å²	77.1	21%	0.214	45%	0.445	C	S	.	.			trans	-67.5	134	178.2	26.8	-32.8	0	0	0	110.1	V49 F50 M121 Y125	V49-P123 HydrophobicContact CG1-CB 4.03Å; F50-P123 WeakPolarHBondContact O-CA 3.41Å; M121-P123 VanDerWaalsContact O-CD 3.31Å; M121-P123 WeakPolarHBondContact O-CD 3.45Å; P123-Y125 HydrophobicContact CB-CE1 4.43Å; P123-Y125 HydrophobicContact CB-CE2 4.13Å; P123-Y125 HydrophobicContact CG-CE1 4.39Å; P123-Y125 HydrophobicContact CG-CE2 3.67Å; P123-Y125 WeakPolarHBondContact CG-OH 3.34Å; P123-Y125 WeakPolarHBondContact O-CD2 3.46Å; P123-Y125 WeakPolarHBondContact O-CE2 3.31Å
124	L	85.7	Confident	71	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	133.5	163.1	161.3	78.8	0	0	0	107.8	Y30 F50 V59 V61 L106 R122 I126 A142	Y30-L124 HydrophobicContact CE1-CD2 4.13Å; F50-L124 HydrophobicContact CB-CB 4.05Å; F50-L124 HydrophobicContact CB-CD2 4.08Å; F50-L124 HydrophobicContact CB-CG 4.41Å; F50-L124 HydrophobicContact CD2-CD2 3.9Å; F50-L124 HydrophobicContact CD2-CG 4.25Å; F50-L124 HydrophobicContact CG-CD2 3.97Å; F50-L124 PolarHBondContact N-O 2.91Å; F50-L124 PolarHBondContact O-N 2.89Å; F50-L124 VanDerWaalsContact O-N 3.09Å; V59-L124 HydrophobicContact CG1-CD2 3.75Å; V61-L124 HydrophobicContact CG2-CD2 4.42Å; L106-L124 HydrophobicContact CD1-CD1 3.32Å; R122-L124 PolarHBondContact O-N 2.71Å; L124-I126 HydrophobicContact CD1-CG1 4.44Å; L124-I126 HydrophobicContact CD2-CD1 4.21Å; L124-I126 HydrophobicContact CD2-CG1 4.28Å; L124-I126 HydrophobicContact CG-CG1 4.2Å; L124-A142 HydrophobicContact CD2-CB 4Å
125	Y	89.8	Confident	72.9	Confident	67 Å²	67	68.5 Å²	68.5	26%	0.263	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.9	171.6	-50.1	-94.5	0	0	0	110.1	R47 L48 V49 A78 R79 P123	R47-Y125 HydrophobicContact CG-CD1 4.27Å; L48-Y125 VanDerWaalsContact O-CA 3.32Å; L48-Y125 WeakPolarHBondContact O-CA 3.44Å; V49-Y125 HydrophobicContact CB-CD1 4.44Å; V49-Y125 HydrophobicContact CG1-CD1 4.09Å; V49-Y125 HydrophobicContact CG1-CE1 3.89Å; V49-Y125 HydrophobicContact CG2-CD1 3.92Å; V49-Y125 HydrophobicContact CG2-CE1 4.14Å; A78-Y125 WeakPolarHBondContact CA-O 3.24Å; R79-Y125 HydrophobicContact CG-CD2 3.94Å; R79-Y125 HydrophobicContact CG-CG 4.18Å; R79-Y125 PolarHBondContact N-O 3.31Å; R79-Y125 PolarHBondContact O-N 3.44Å; P123-Y125 HydrophobicContact CB-CE1 4.43Å; P123-Y125 HydrophobicContact CB-CE2 4.13Å; P123-Y125 HydrophobicContact CG-CE1 4.39Å; P123-Y125 HydrophobicContact CG-CE2 3.67Å; P123-Y125 WeakPolarHBondContact CG-OH 3.34Å; P123-Y125 WeakPolarHBondContact O-CD2 3.46Å; P123-Y125 WeakPolarHBondContact O-CE2 3.31Å
126	I	91.8	Very high	75.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	112.2	173.1	-54.1	176.9	0	0	0	107.4	R47 L48 F50 V61 I76 L124 L128 V140 A142	R47-I126 CarbonylContact C-O 3.54Å; R47-I126 WeakPolarHBondContact CA-O 3.45Å; L48-I126 HydrophobicContact CB-CB 4.27Å; L48-I126 PolarHBondContact N-O 3.28Å; L48-I126 PolarHBondContact O-N 3.48Å; F50-I126 HydrophobicContact CD2-CD1 4.15Å; F50-I126 HydrophobicContact CD2-CG1 4.36Å; F50-I126 HydrophobicContact CE2-CD1 3.44Å; F50-I126 VanDerWaalsContact CE2-CD1 3.44Å; F50-I126 HydrophobicContact CE2-CG1 3.96Å; F50-I126 HydrophobicContact CZ-CD1 3.95Å; V61-I126 HydrophobicContact CB-CD1 4.35Å; V61-I126 HydrophobicContact CG1-CD1 3.62Å; V61-I126 HydrophobicContact CG1-CG1 4.44Å; V61-I126 HydrophobicContact CG2-CD1 3.76Å; V61-I126 HydrophobicContact CG2-CG1 4.34Å; I76-I126 HydrophobicContact CG2-CG2 4.02Å; L124-I126 HydrophobicContact CD1-CG1 4.44Å; L124-I126 HydrophobicContact CD2-CD1 4.21Å; L124-I126 HydrophobicContact CD2-CG1 4.28Å; L124-I126 HydrophobicContact CG-CG1 4.2Å; I126-L128 HydrophobicContact CG2-CD1 4.05Å; I126-L128 HydrophobicContact CG2-CG 4.48Å; I126-V140 HydrophobicContact CD1-CG1 3.72Å; I126-V140 HydrophobicContact CG2-CG1 4.36Å; I126-A142 HydrophobicContact CD1-CB 4.34Å
127	E	92.5	Very high	77.7	Confident	32 Å²	32	56.3 Å²	56.3	15%	0.15	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.4	178.9	-47.9	-173.6	179.2	0	0	109.2	Y45 L46 R47 I76 V77 R79	Y45-E127 HydrophobicContact CE2-CB 3.94Å; Y45-E127 HydrophobicContact CE2-CG 4.42Å; Y45-E127 WeakPolarHBondContact CE2-OE2 3.3Å; Y45-E127 WeakPolarHBondContact OH-CG 3.46Å; Y45-E127 PolarHBondContact OH-OE1 2.66Å; Y45-E127 PolarHBondContact OH-OE2 3.45Å; L46-E127 CarbonylContact O-C 3.59Å; L46-E127 WeakPolarHBondContact O-CA 3.31Å; R47-E127 HydrophobicContact CG-CG 4.17Å; R47-E127 IonicContact NE-OE1 3.46Å; R47-E127 PolarHBondContact NE-OE1 3.03Å; R47-E127 IonicContact NH2-OE1 3.05Å; I76-E127 CarbonylContact C-O 3.54Å; I76-E127 WeakPolarHBondContact CA-O 3.33Å; V77-E127 HydrophobicContact CB-CB 4.24Å; V77-E127 PolarHBondContact N-O 3.32Å; V77-E127 PolarHBondContact O-N 3.01Å; R79-E127 IonicContact CZ-OE1 2.64Å; R79-E127 IonicContact NE-OE1 3.57Å; R79-E127 PolarHBondContact NE-OE1 3.37Å; R79-E127 IonicContact NH1-OE1 3.39Å; R79-E127 PolarHBondContact NH1-OE1 2.9Å; R79-E127 IonicContact NH2-OE1 3.75Å
128	L	92.5	Very high	80.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.7	175.7	-60.5	105	0	0	0	109.1	I38 Y45 L46 L48 V63 L74 L75 I76 I126 F138 V140	I38-L128 HydrophobicContact CD1-CB 4.35Å; I38-L128 WeakPolarHBondContact CD1-O 3.33Å; Y45-L128 CarbonylContact C-O 3.52Å; Y45-L128 WeakPolarHBondContact CA-O 3.45Å; L46-L128 HydrophobicContact CD2-CD1 4.38Å; L46-L128 PolarHBondContact N-O 3.35Å; L46-L128 PolarHBondContact O-N 2.85Å; L48-L128 HydrophobicContact CD1-CD1 4.2Å; L48-L128 HydrophobicContact CG-CD1 4.3Å; V63-L128 HydrophobicContact CG1-CD2 4.13Å; L74-L128 HydrophobicContact CD1-CB 4.33Å; L74-L128 HydrophobicContact CD1-CD2 4.36Å; L74-L128 HydrophobicContact CD2-CD2 4.08Å; L74-L128 HydrophobicContact CG-CD2 4.41Å; L75-L128 CarbonylContact O-C 3.59Å; L75-L128 WeakPolarHBondContact O-CA 3.23Å; I76-L128 HydrophobicContact CG1-CD2 4.16Å; I126-L128 HydrophobicContact CG2-CD1 4.05Å; I126-L128 HydrophobicContact CG2-CG 4.48Å; L128-F138 HydrophobicContact CD1-CE2 4.05Å; L128-F138 HydrophobicContact CD1-CZ 4.46Å; L128-F138 HydrophobicContact CD2-CD2 3.6Å; L128-F138 HydrophobicContact CD2-CE2 3.7Å; L128-F138 HydrophobicContact CD2-CG 4.09Å; L128-F138 HydrophobicContact CD2-CZ 4.27Å; L128-F138 HydrophobicContact CG-CE2 4.4Å; L128-V140 HydrophobicContact CD1-CG2 4.1Å; L128-V140 HydrophobicContact CD2-CG2 3.87Å
129	S	91.7	Very high	82.6	Confident	35 Å²	35	48.4 Å²	48.4	25%	0.245	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	149.5	177.2	59.6	0	0	0	0	111.9	G44 L75	G44-S129 VanDerWaalsContact O-CA 3.29Å; G44-S129 WeakPolarHBondContact O-CA 3.28Å; G44-S129 WeakPolarHBondContact O-CB 3.25Å; L75-S129 PolarHBondContact N-O 2.85Å; L75-S129 PolarHBondContact O-N 3.26Å
130	T	90.4	Very high	84.8	Confident	12 Å²	12	41.6 Å²	41.6	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152.3	172.6	-170.2	0	0	0	0	110.6	I38 G44 P73 S132 I136	I38-T130 HydrophobicContact CB-CG2 4.45Å; I38-T130 HydrophobicContact CG1-CG2 4.29Å; I38-T130 HydrophobicContact CG2-CG2 3.8Å; I38-T130 WeakPolarHBondContact O-CG2 3.46Å; G44-T130 PolarHBondContact O-N 3.09Å; P73-T130 PolarHBondContact O-OG1 3.3Å; T130-S132 PolarHBondContact OG1-N 2.85Å; T130-I136 HydrophobicContact CG2-CD1 4.34Å
131	N	86.7	Confident	86.7	Confident	146 Å²	146	36.5 Å²	36.5	78%	0.781	22%	0.216	S	C	*	.			trans	-100.2	11.4	171.3	-159.7	25.1	0	0	0	112.2
132	S	86.3	Confident	88.3	Confident	5 Å²	5	30.2 Å²	30.2	4%	0.035	19%	0.185	C	C	.	.			trans	-69.5	127.5	176.8	-179.6	0	0	0	0	110.9	A40 T130 A134	A40-S132 VanDerWaalsContact CB-O 3.29Å; A40-S132 WeakPolarHBondContact CB-O 3.32Å; A40-S132 PolarHBondContact N-O 3.46Å; T130-S132 PolarHBondContact OG1-N 2.85Å; S132-A134 WeakPolarHBondContact CB-O 3.27Å; S132-A134 PolarHBondContact O-N 3.03Å; S132-A134 PolarHBondContact OG-N 3.47Å; S132-A134 PolarHBondContact OG-O 2.69Å
133	P	82.7	Confident	89.4	Confident	92 Å²	92	35.1 Å²	35.1	60%	0.597	20%	0.203	S	C	*	.	S	Bend	trans	-68.5	-24.8	173.6	27.6	-33.6	0	0	0	112.7
134	A	85.1	Confident	89.7	Confident	60 Å²	60	36.6 Å²	36.6	50%	0.496	21%	0.209	S	C	.	.	S	Bend	trans	-86.7	143.8	172	0	0	0	0	0	109.8	S132 I136	S132-A134 WeakPolarHBondContact CB-O 3.27Å; S132-A134 PolarHBondContact O-N 3.03Å; S132-A134 PolarHBondContact OG-N 3.47Å; S132-A134 PolarHBondContact OG-O 2.69Å; A134-I136 PolarHBondContact O-N 2.86Å
135	A	85.8	Confident	89.6	Confident	52 Å²	52	38.9 Å²	38.9	43%	0.43	22%	0.221	S	C	.	.			trans	-58.4	131.4	170.9	0	0	0	0	0	109.5	E37	E37-A135 HydrophobicContact CB-CB 4.4Å
136	I	89.3	Confident	89	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.9	174.2	-69.4	177.1	0	0	0	107.1	E37 I38 S65 E67 A68 T130 A134	E37-I136 WeakPolarHBondContact CA-O 3.4Å; I38-I136 PolarHBondContact N-O 3.12Å; I38-I136 PolarHBondContact O-N 2.95Å; S65-I136 WeakPolarHBondContact OG-CG2 3.33Å; E67-I136 HydrophobicContact CB-CB 4.47Å; E67-I136 HydrophobicContact CB-CG1 4.49Å; E67-I136 HydrophobicContact CB-CG2 4.08Å; E67-I136 WeakPolarHBondContact OE2-CA 3.32Å; A68-I136 HydrophobicContact CB-CG2 4.22Å; T130-I136 HydrophobicContact CG2-CD1 4.34Å; A134-I136 PolarHBondContact O-N 2.86Å
137	G	91.6	Very high	88.2	Confident	17 Å²	17	51 Å²	51	18%	0.175	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	138.7	170.5	0	0	0	0	0	112.3	G36 S65 E67	G36-G137 WeakPolarHBondContact O-CA 3.42Å; S65-G137 WeakPolarHBondContact CB-O 3.49Å; S65-G137 PolarHBondContact OG-O 3.05Å; E67-G137 PolarHBondContact OE2-N 3.43Å
138	F	93.4	Very high	87.4	Confident	5 Å²	5	51.1 Å²	51.1	2%	0.022	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	159.4	175.7	65.2	-89.4	0	0	0	112.1	Y34 G36 I38 L46 R64 L74 L128 V140	Y34-F138 HydrophobicContact CD1-CE2 4Å; Y34-F138 AromaticContact CE1-CE2 3.96Å; Y34-F138 HydrophobicContact CE1-CE2 3.96Å; Y34-F138 HydrophobicContact CE1-CZ 4.12Å; G36-F138 PolarHBondContact N-O 3.05Å; G36-F138 WeakPolarHBondContact O-CD1 3.32Å; G36-F138 PolarHBondContact O-N 3.43Å; I38-F138 HydrophobicContact CB-CD1 4.44Å; I38-F138 HydrophobicContact CB-CE1 3.8Å; I38-F138 HydrophobicContact CG2-CD1 3.81Å; I38-F138 HydrophobicContact CG2-CE1 3.64Å; L46-F138 HydrophobicContact CD2-CE2 4.13Å; L46-F138 HydrophobicContact CD2-CZ 3.52Å; R64-F138 CarbonylContact O-C 3.56Å; R64-F138 WeakPolarHBondContact O-CA 3.36Å; R64-F138 WeakPolarHBondContact O-CB 3.13Å; L74-F138 HydrophobicContact CD2-CB 3.61Å; L74-F138 HydrophobicContact CD2-CD1 4.39Å; L74-F138 HydrophobicContact CD2-CG 4.03Å; L128-F138 HydrophobicContact CD1-CE2 4.05Å; L128-F138 HydrophobicContact CD1-CZ 4.46Å; L128-F138 HydrophobicContact CD2-CD2 3.6Å; L128-F138 HydrophobicContact CD2-CE2 3.7Å; L128-F138 HydrophobicContact CD2-CG 4.09Å; L128-F138 HydrophobicContact CD2-CZ 4.27Å; L128-F138 HydrophobicContact CG-CE2 4.4Å; F138-V140 HydrophobicContact CD2-CG2 3.73Å; F138-V140 HydrophobicContact CE2-CG2 3.88Å
139	T	94.6	Very high	86.8	Confident	28 Å²	28	54.2 Å²	54.2	17%	0.172	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.2	169.3	79.6	0	0	0	0	111.1	E33 Y34 V35 V63 R64	E33-T139 WeakPolarHBondContact OE1-CB 3.41Å; E33-T139 PolarHBondContact OE1-OG1 3.14Å; Y34-T139 CarbonylContact O-C 3.58Å; Y34-T139 WeakPolarHBondContact O-CA 3.31Å; V35-T139 HydrophobicContact CB-CG2 4.41Å; V35-T139 HydrophobicContact CG1-CG2 4.22Å; V35-T139 HydrophobicContact CG2-CG2 3.87Å; V63-T139 CarbonylContact C-O 3.56Å; V63-T139 VanDerWaalsContact CA-O 3.25Å; V63-T139 WeakPolarHBondContact CA-O 3.46Å; R64-T139 PolarHBondContact N-O 3.11Å; R64-T139 PolarHBondContact O-N 3.26Å
140	V	94.2	Very high	86.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.1	179.2	-175.3	0	0	0	0	109.8	Y34 L48 V61 T62 V63 I126 L128 F138	Y34-V140 PolarHBondContact N-O 2.86Å; Y34-V140 PolarHBondContact O-N 3.38Å; L48-V140 HydrophobicContact CD1-CB 3.81Å; L48-V140 HydrophobicContact CD1-CG1 3.9Å; L48-V140 HydrophobicContact CD1-CG2 3.94Å; V61-V140 HydrophobicContact CG1-CG1 4.3Å; T62-V140 CarbonylContact O-C 3.48Å; T62-V140 WeakPolarHBondContact O-CA 3.34Å; V63-V140 HydrophobicContact CG1-CG2 4.23Å; V63-V140 HydrophobicContact CG2-CG1 4.23Å; V63-V140 HydrophobicContact CG2-CG2 4.1Å; I126-V140 HydrophobicContact CD1-CG1 3.72Å; I126-V140 HydrophobicContact CG2-CG1 4.36Å; L128-V140 HydrophobicContact CD1-CG2 4.1Å; L128-V140 HydrophobicContact CD2-CG2 3.87Å; F138-V140 HydrophobicContact CD2-CG2 3.73Å; F138-V140 HydrophobicContact CE2-CG2 3.88Å
141	V	94.1	Very high	86.1	Confident	13 Å²	13	56.7 Å²	56.7	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.8	173	-172.6	0	0	0	0	108.8	E33 T62 R143	E33-V141 HydrophobicContact CB-CG2 3.74Å; E33-V141 HydrophobicContact CG-CG2 3.71Å; T62-V141 PolarHBondContact N-O 3.46Å; T62-V141 PolarHBondContact O-N 2.92Å; V141-R143 HydrophobicContact CG1-CG 3.8Å
142	A	91.5	Very high	86	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.2	170.3	0	0	0	0	0	109.7	Y30 D31 F50 V59 R60 V61 L124 I126	Y30-A142 CarbonylContact C-O 3.57Å; Y30-A142 WeakPolarHBondContact CA-O 3.32Å; Y30-A142 HydrophobicContact CD1-CB 4.09Å; Y30-A142 HydrophobicContact CE1-CB 4.36Å; D31-A142 PolarHBondContact N-O 3.49Å; F50-A142 HydrophobicContact CD1-CB 3.94Å; F50-A142 HydrophobicContact CE1-CB 3.53Å; F50-A142 HydrophobicContact CE2-CB 4.45Å; F50-A142 HydrophobicContact CZ-CB 3.84Å; V59-A142 HydrophobicContact CG1-CB 4.17Å; R60-A142 WeakPolarHBondContact O-CA 3.38Å; V61-A142 HydrophobicContact CG2-CB 4.45Å; L124-A142 HydrophobicContact CD2-CB 4Å; I126-A142 HydrophobicContact CD1-CB 4.34Å
143	R	90	Very high	85.8	Confident	137 Å²	137	53.2 Å²	53.2	52%	0.517	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.7	-179.7	-58.3	-163.5	178.3	158.2	-0.1	111.5	D31 V59 R60 V141	D31-R143 WeakPolarHBondContact OD1-CB 3.19Å; D31-R143 VanDerWaalsContact OD1-CG 3.26Å; D31-R143 WeakPolarHBondContact OD1-CG 3.28Å; V59-R143 WeakPolarHBondContact CA-O 3.28Å; R60-R143 PolarHBondContact N-O 2.94Å; R60-R143 PolarHBondContact O-N 3.36Å; V141-R143 HydrophobicContact CG1-CG 3.8Å
144	L	85	Confident	85.6	Confident	64 Å²	64	57 Å²	57	34%	0.335	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.5	171	-66.3	169.3	0	0	0	109.5	Y30 V59	Y30-L144 HydrophobicContact CD1-CD2 4.32Å; Y30-L144 HydrophobicContact CD1-CG 4.14Å; Y30-L144 HydrophobicContact CE1-CD2 4.21Å; Y30-L144 HydrophobicContact CG-CG 4.41Å; V59-L144 HydrophobicContact CG2-CD2 4.02Å
145	I	83.2	Confident	85.4	Confident	47 Å²	47	60.2 Å²	60.2	24%	0.241	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121	-178.9	-58.1	-61.2	0	0	0	109.9	V58 R60 F148	V58-I145 HydrophobicContact CB-CB 4.37Å; V58-I145 PolarHBondContact O-N 3.37Å; R60-I145 HydrophobicContact CB-CD1 3.8Å; R60-I145 HydrophobicContact CB-CG1 3.67Å; I145-F148 HydrophobicContact CG2-CD2 4.41Å
146	E	77.5	Confident	85.2	Confident	163 Å²	163	58.7 Å²	58.7	76%	0.762	30%	0.296	S	S	*	.	S	Bend	trans	-82	154.7	169.5	-58.6	-173.9	168.4	0	0	110.7	F148	E146-F148 PolarHBondContact O-N 3.1Å
147	N	73.3	Confident	84.9	Confident	159 Å²	159	64.2 Å²	64.2	85%	0.85	32%	0.322	S	S	*	.	S	Bend	trans	56.3	39	174.5	-55.3	-40.3	0	0	0	115.8	H149	N147-H149 VanDerWaalsContact C-N 3.3Å; N147-H149 PolarHBondContact O-N 3.48Å
148	F	77.1	Confident	84.6	Confident	35 Å²	35	66.3 Å²	66.3	15%	0.154	33%	0.325	C	S	.	.			trans	-67.3	-23.4	-176.9	-175.3	-111.1	0	0	0	115.6	V58 T105 P108 I145 E146 V182 H215	V58-F148 HydrophobicContact CB-CB 4.23Å; V58-F148 HydrophobicContact CB-CD1 4.42Å; V58-F148 HydrophobicContact CB-CD2 4.35Å; V58-F148 HydrophobicContact CB-CG 4.1Å; V58-F148 HydrophobicContact CG1-CD1 4.14Å; V58-F148 HydrophobicContact CG1-CD2 3.81Å; V58-F148 HydrophobicContact CG1-CE1 4.2Å; V58-F148 HydrophobicContact CG1-CE2 3.91Å; V58-F148 HydrophobicContact CG1-CG 3.92Å; V58-F148 HydrophobicContact CG1-CZ 4.08Å; V58-F148 HydrophobicContact CG2-CB 3.64Å; V58-F148 HydrophobicContact CG2-CD1 3.61Å; V58-F148 HydrophobicContact CG2-CD2 4.33Å; V58-F148 HydrophobicContact CG2-CE1 4.3Å; V58-F148 HydrophobicContact CG2-CG 3.6Å; T105-F148 HydrophobicContact CG2-CD2 4.34Å; T105-F148 HydrophobicContact CG2-CE2 3.64Å; T105-F148 HydrophobicContact CG2-CZ 4.12Å; P108-F148 HydrophobicContact CG-CD1 4.24Å; P108-F148 HydrophobicContact CG-CE1 4.15Å; I145-F148 HydrophobicContact CG2-CD2 4.41Å; E146-F148 PolarHBondContact O-N 3.1Å; F148-V182 HydrophobicContact CE1-CG2 4.35Å; F148-V182 HydrophobicContact CZ-CG2 3.97Å; F148-H215 AromaticContact CD1-CE1 3.57Å; F148-H215 AromaticContact CD1-ND1 3.78Å; F148-H215 AromaticContact CE1-CE1 3.21Å; F148-H215 WeakPolarHBondContact CE1-CE1 3.25Å; F148-H215 AromaticContact CE1-ND1 3.49Å; F148-H215 WeakPolarHBondContact CE1-ND1 3.49Å
149	H	79	Confident	84.4	Confident	64 Å²	64	66.1 Å²	66.1	30%	0.296	32%	0.324	S	S	.	.	S	Bend	trans	-128.6	145	-178.9	60.3	-91.4	0	0	0	110.4	N147 N151 I178	N147-H149 VanDerWaalsContact C-N 3.3Å; N147-H149 PolarHBondContact O-N 3.48Å; H149-N151 VanDerWaalsContact CD2-CG 3.46Å; H149-N151 PolarHBondContact CD2-ND2 3.28Å; H149-N151 VanDerWaalsContact CD2-ND2 3.33Å; H149-N151 PolarHBondContact CD2-OD1 3.31Å; H149-N151 PolarHBondContact NE2-ND2 2.93Å; H149-N151 PolarHBondContact NE2-OD1 3.44Å; H149-I178 HydrophobicContact CB-CD1 4.35Å
150	L	83.3	Confident	84.1	Confident	22 Å²	22	65 Å²	65	12%	0.115	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	119.2	171	173.8	54.3	0	0	0	108.9	V159 V161 R213 V214 V216 I252	L150-V159 HydrophobicContact CD2-CG2 4.03Å; L150-V161 HydrophobicContact CD2-CG2 4.03Å; L150-R213 VanDerWaalsContact O-CA 3.23Å; L150-R213 WeakPolarHBondContact O-CA 3.13Å; L150-V214 HydrophobicContact CB-CG2 3.89Å; L150-V214 HydrophobicContact CD2-CG2 4.06Å; L150-V214 HydrophobicContact CG-CG2 4.27Å; L150-V214 PolarHBondContact N-O 3Å; L150-V214 PolarHBondContact O-N 2.94Å; L150-V216 HydrophobicContact CB-CG2 4.21Å; L150-V216 HydrophobicContact CD2-CG2 4.3Å; L150-I252 HydrophobicContact CD1-CD1 3.32Å; L150-I252 HydrophobicContact CD1-CG2 4.17Å; L150-I252 HydrophobicContact CD2-CD1 3.95Å; L150-I252 HydrophobicContact CD2-CG2 4.28Å; L150-I252 HydrophobicContact CG-CD1 4.15Å
151	N	84.3	Confident	84	Confident	77 Å²	77	65 Å²	65	41%	0.412	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.4	168.8	-69.1	-46.6	0	0	0	109.7	H149 R213	H149-N151 VanDerWaalsContact CD2-CG 3.46Å; H149-N151 PolarHBondContact CD2-ND2 3.28Å; H149-N151 VanDerWaalsContact CD2-ND2 3.33Å; H149-N151 PolarHBondContact CD2-OD1 3.31Å; H149-N151 PolarHBondContact NE2-ND2 2.93Å; H149-N151 PolarHBondContact NE2-OD1 3.44Å; N151-R213 WeakPolarHBondContact OD1-CD 3.41Å; N151-R213 WeakPolarHBondContact OD1-CG 3.38Å; N151-R213 PolarHBondContact OD1-NE 3.37Å
152	F	84.1	Confident	84	Confident	19 Å²	19	66.2 Å²	66.2	8%	0.083	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-67.3	133.3	172.4	-80.5	-105.3	0	0	0	110.1	V159 V206 R208 A211 E212 V214	F152-V159 HydrophobicContact CD1-CG1 3.88Å; F152-V159 HydrophobicContact CD1-CG2 4.14Å; F152-V159 HydrophobicContact CE1-CB 4.28Å; F152-V159 HydrophobicContact CE1-CG1 4Å; F152-V159 HydrophobicContact CE1-CG2 3.51Å; F152-V159 HydrophobicContact CE2-CG2 4.47Å; F152-V159 HydrophobicContact CZ-CG2 3.71Å; F152-V206 HydrophobicContact CE2-CG1 4.31Å; F152-V206 HydrophobicContact CZ-CB 3.99Å; F152-V206 HydrophobicContact CZ-CG1 3.72Å; F152-R208 HydrophobicContact CB-CG 4.25Å; F152-R208 HydrophobicContact CD1-CB 3.64Å; F152-R208 HydrophobicContact CD1-CG 4Å; F152-R208 HydrophobicContact CE1-CB 3.75Å; F152-R208 HydrophobicContact CG-CB 4.17Å; F152-R208 HydrophobicContact CG-CG 4.05Å; F152-R208 HydrophobicContact CZ-CB 4.37Å; F152-A211 WeakPolarHBondContact CE2-O 3.49Å; F152-E212 WeakPolarHBondContact CD2-O 3.24Å; F152-E212 PolarHBondContact N-O 2.91Å; F152-V214 HydrophobicContact CE2-CG1 4.24Å; F152-V214 HydrophobicContact CE2-CG2 4.24Å
153	P	82.9	Confident	84.1	Confident	59 Å²	59	66.2 Å²	66.2	38%	0.383	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-60.3	152.5	170.1	-20.4	31.5	0	0	0	111.8	V156 R208	P153-V156 HydrophobicContact CB-CB 4.31Å; P153-V156 HydrophobicContact CB-CG2 3.87Å; P153-V156 HydrophobicContact CG-CG2 4.29Å; P153-V156 PolarHBondContact O-N 3.28Å; P153-R208 PolarHBondContact O-NH1 2.97Å
154	E	79.1	Confident	84.2	Confident	171 Å²	171	63.4 Å²	63.4	80%	0.799	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	143.6	170.3	-65.6	-176.6	177.4	0	0	110.1	V156	E154-V156 VanDerWaalsContact C-N 3.26Å; E154-V156 PolarHBondContact O-N 3.15Å
155	D	79.3	Confident	84.6	Confident	128 Å²	128	60.9 Å²	60.9	68%	0.684	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	19.9	-177.5	-51.5	-30.9	0	0	0	117.6	K257	D155-K257 VanDerWaalsContact O-CE 3.23Å; D155-K257 WeakPolarHBondContact O-CE 3.26Å; D155-K257 PolarHBondContact O-NZ 3.43Å
156	V	81.7	Confident	84.9	Confident	20 Å²	20	65.7 Å²	65.7	12%	0.121	33%	0.327	C	S	.	.			trans	-115.1	118.3	174.3	-179.5	0	0	0	0	110.7	P153 E154 Y158 V159 R208 T254	P153-V156 HydrophobicContact CB-CB 4.31Å; P153-V156 HydrophobicContact CB-CG2 3.87Å; P153-V156 HydrophobicContact CG-CG2 4.29Å; P153-V156 PolarHBondContact O-N 3.28Å; E154-V156 VanDerWaalsContact C-N 3.26Å; E154-V156 PolarHBondContact O-N 3.15Å; V156-Y158 WeakPolarHBondContact CG1-O 3.47Å; V156-V159 HydrophobicContact CG1-CG1 3.81Å; V156-R208 VanDerWaalsContact O-CD 3.23Å; V156-R208 WeakPolarHBondContact O-CD 3.47Å; V156-T254 HydrophobicContact CG1-CG2 3.98Å; V156-T254 HydrophobicContact CG2-CG2 3.84Å
157	E	83.1	Confident	85.4	Confident	121 Å²	121	60.2 Å²	60.2	57%	0.565	30%	0.303	S	S	*	.	S	Bend	trans	-84.6	-34.2	177.7	-68.2	176.5	179.9	0	0	112.7	H207 R208	E157-H207 PolarHBondContact O-CD2 3.18Å; E157-R208 VanDerWaalsContact O-CB 3.27Å; E157-R208 WeakPolarHBondContact O-CB 3.45Å; E157-R208 PolarHBondContact O-N 3.41Å
158	Y	86.3	Confident	86	Confident	61 Å²	61	60.2 Å²	60.2	24%	0.239	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.2	-176.2	-64.6	-91	0	0	0	111.3	V156 T205 V206 H207 L255 P408	V156-Y158 WeakPolarHBondContact CG1-O 3.47Å; Y158-T205 HydrophobicContact CD1-CG2 3.93Å; Y158-V206 WeakPolarHBondContact CA-O 3.27Å; Y158-H207 HydrophobicContact CD1-CB 4.01Å; Y158-H207 AromaticContact CD1-CD2 3.6Å; Y158-H207 HydrophobicContact CE1-CB 3.73Å; Y158-H207 AromaticContact CE1-CD2 3.13Å; Y158-H207 WeakPolarHBondContact CE1-CD2 3.18Å; Y158-H207 AromaticContact CE1-CG 3.58Å; Y158-H207 AromaticContact CE1-NE2 3.96Å; Y158-H207 AromaticContact CE2-CD2 3.59Å; Y158-H207 AromaticContact CE2-NE2 3.8Å; Y158-H207 AromaticContact CZ-CD2 3.1Å; Y158-H207 AromaticContact CZ-CG 3.9Å; Y158-H207 AromaticContact CZ-NE2 3.46Å; Y158-H207 PolarHBondContact OH-CD2 3.48Å; Y158-H207 PolarHBondContact OH-NE2 2.95Å; Y158-L255 PolarHBondContact O-N 2.8Å; Y158-P408 HydrophobicContact CD1-CB 4.42Å; Y158-P408 HydrophobicContact CD1-CG 3.47Å; Y158-P408 VanDerWaalsContact CD1-CG 3.47Å; Y158-P408 HydrophobicContact CD2-CG 4.4Å; Y158-P408 HydrophobicContact CE1-CB 3.89Å; Y158-P408 HydrophobicContact CE1-CG 3.39Å; Y158-P408 HydrophobicContact CE2-CG 4.38Å; Y158-P408 HydrophobicContact CG-CG 3.98Å
159	V	88.8	Confident	86.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.3	171.6	-62.7	0	0	0	0	109.3	L150 F152 V156 T205 V206 I252 E253	L150-V159 HydrophobicContact CD2-CG2 4.03Å; F152-V159 HydrophobicContact CD1-CG1 3.88Å; F152-V159 HydrophobicContact CD1-CG2 4.14Å; F152-V159 HydrophobicContact CE1-CB 4.28Å; F152-V159 HydrophobicContact CE1-CG1 4Å; F152-V159 HydrophobicContact CE1-CG2 3.51Å; F152-V159 HydrophobicContact CE2-CG2 4.47Å; F152-V159 HydrophobicContact CZ-CG2 3.71Å; V156-V159 HydrophobicContact CG1-CG1 3.81Å; V159-T205 WeakPolarHBondContact O-CA 3.32Å; V159-V206 HydrophobicContact CG2-CB 3.97Å; V159-V206 HydrophobicContact CG2-CG2 4.45Å; V159-V206 PolarHBondContact N-O 3.49Å; V159-V206 VanDerWaalsContact N-O 3.1Å; V159-V206 PolarHBondContact O-N 3.4Å; V159-I252 HydrophobicContact CB-CG2 4.18Å; V159-E253 CarbonylContact C-O 3.54Å; V159-E253 WeakPolarHBondContact CA-O 3.38Å
160	N	89.3	Confident	86.9	Confident	6 Å²	6	57.7 Å²	57.7	3%	0.032	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.7	174.5	-169.8	10.4	0	0	0	108.8	S203 L204 E253 L255	N160-S203 PolarHBondContact ND2-OG 3.31Å; N160-S203 PolarHBondContact OD1-OG 3.48Å; N160-L204 PolarHBondContact OD1-N 3.5Å; N160-L204 PolarHBondContact OD1-O 2.87Å; N160-E253 PolarHBondContact N-O 3Å; N160-E253 PolarHBondContact O-N 2.98Å; N160-L255 HydrophobicContact CB-CD1 4.18Å; N160-L255 HydrophobicContact CB-CG 4.24Å
161	V	91.4	Very high	87.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	106	174.3	-179.4	0	0	0	0	107.7	L150 S203 L204 V206 V216 V250	L150-V161 HydrophobicContact CD2-CG2 4.03Å; V161-S203 WeakPolarHBondContact O-CA 3.27Å; V161-L204 PolarHBondContact N-O 3.37Å; V161-L204 PolarHBondContact O-N 3.42Å; V161-V206 HydrophobicContact CG2-CG2 4.06Å; V161-V216 HydrophobicContact CG1-CG1 3.89Å; V161-V216 HydrophobicContact CG2-CG2 4.38Å; V161-V250 HydrophobicContact CG1-CG1 4.11Å
162	R	93	Very high	87.8	Confident	37 Å²	37	53 Å²	53	14%	0.14	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.1	-177.5	178.3	-179.9	-174.7	135.5	11	110	E164 A202 V250 T251 E404	R162-E164 HydrophobicContact CG-CG 4.4Å; R162-E164 IonicContact CZ-OE1 2.63Å; R162-E164 IonicContact NE-OE1 3.58Å; R162-E164 PolarHBondContact NE-OE1 3.23Å; R162-E164 IonicContact NH2-OE1 2.74Å; R162-E164 PolarHBondContact NH2-OE1 3.26Å; R162-A202 WeakPolarHBondContact CA-O 3.49Å; R162-V250 CarbonylContact O-C 3.25Å; R162-V250 WeakPolarHBondContact O-CA 3.4Å; R162-T251 WeakPolarHBondContact CB-OG1 3.48Å; R162-T251 PolarHBondContact N-O 2.65Å; R162-T251 PolarHBondContact O-N 2.79Å; R162-E404 VanDerWaalsContact CZ-CD 3.44Å; R162-E404 IonicContact CZ-OE1 3.31Å; R162-E404 IonicContact CZ-OE2 2.84Å; R162-E404 VanDerWaalsContact NH1-CD 3.27Å; R162-E404 IonicContact NH1-OE1 2.89Å; R162-E404 PolarHBondContact NH1-OE1 3.21Å; R162-E404 IonicContact NH2-OE1 3.08Å; R162-E404 PolarHBondContact NH2-OE1 3.09Å; R162-E404 IonicContact NH2-OE2 3.22Å; R162-E404 PolarHBondContact NH2-OE2 2.71Å
163	V	93.8	Very high	88.2	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.4	-178.6	-175.4	0	0	0	0	108.6	M171 V173 K201 A202 F218 F248 N249	V163-M171 HydrophobicContact CG1-CE 3.76Å; V163-V173 HydrophobicContact CG2-CG1 4.23Å; V163-V173 HydrophobicContact CG2-CG2 3.97Å; V163-K201 WeakPolarHBondContact O-CA 3.4Å; V163-A202 HydrophobicContact CB-CB 4.19Å; V163-A202 HydrophobicContact CG2-CB 4.5Å; V163-A202 PolarHBondContact N-O 3.33Å; V163-A202 PolarHBondContact O-N 3.23Å; V163-F218 HydrophobicContact CG2-CD1 4.49Å; V163-F218 HydrophobicContact CG2-CE1 3.71Å; V163-F248 HydrophobicContact CG1-CB 4.12Å; V163-F248 HydrophobicContact CG1-CD2 3.99Å; V163-F248 HydrophobicContact CG1-CG 4.31Å; V163-N249 WeakPolarHBondContact CA-O 3.38Å
164	E	93.6	Very high	88.7	Confident	77 Å²	77	49.3 Å²	49.3	36%	0.36	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.7	177.6	-63.8	-170	164.2	0	0	110.7	R162 K200 F248 N249	R162-E164 HydrophobicContact CG-CG 4.4Å; R162-E164 IonicContact CZ-OE1 2.63Å; R162-E164 IonicContact NE-OE1 3.58Å; R162-E164 PolarHBondContact NE-OE1 3.23Å; R162-E164 IonicContact NH2-OE1 2.74Å; R162-E164 PolarHBondContact NH2-OE1 3.26Å; E164-K200 CarbonylContact C-O 3.47Å; E164-K200 WeakPolarHBondContact CA-O 3.49Å; E164-F248 CarbonylContact O-C 3.47Å; E164-F248 VanDerWaalsContact O-CA 3.31Å; E164-F248 WeakPolarHBondContact O-CA 3.4Å; E164-N249 PolarHBondContact N-O 3.45Å; E164-N249 PolarHBondContact O-N 3.03Å
165	S	92.6	Very high	89.3	Confident	11 Å²	11	41.5 Å²	41.5	8%	0.077	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	145	-179.3	-176	0	0	0	0	110	D167 K200 S247	S165-D167 VanDerWaalsContact C-N 3.33Å; S165-D167 PolarHBondContact OG-N 3.07Å; S165-D167 VanDerWaalsContact OG-N 3.13Å; S165-K200 PolarHBondContact N-O 2.89Å; S165-K200 WeakPolarHBondContact O-CB 3.43Å; S165-S247 WeakPolarHBondContact CB-O 3.34Å; S165-S247 PolarHBondContact OG-O 2.92Å
166	N	90.2	Very high	89.8	Confident	149 Å²	149	35.5 Å²	35.5	80%	0.797	17%	0.167	S	C	*	.	S	Bend	trans	-86.3	-11.6	170.2	-68.6	-37.9	0	0	0	112.1
167	D	87	Confident	90	Very high	48 Å²	48	36.8 Å²	36.8	26%	0.257	18%	0.176	S	C	.	.			trans	-86.1	152	-176	-57.2	-22.8	0	0	0	110.6	S165 K246 S247	S165-D167 VanDerWaalsContact C-N 3.33Å; S165-D167 PolarHBondContact OG-N 3.07Å; S165-D167 VanDerWaalsContact OG-N 3.13Å; D167-K246 HydrophobicContact CB-CG 4.03Å; D167-S247 PolarHBondContact OD2-N 2.88Å
168	Y	85.4	Confident	90	Very high	158 Å²	158	33.6 Å²	33.6	62%	0.62	16%	0.162	S	C	*	.			trans	-97.5	-4.6	-177.8	-67.8	-91.8	0	0	0	113.3	K200	Y168-K200 HydrophobicContact CE1-CD 4.43Å; Y168-K200 VanDerWaalsContact CZ-NZ 3.26Å; Y168-K200 WeakPolarHBondContact OH-CE 3.42Å; Y168-K200 PolarHBondContact OH-NZ 3.36Å
169	D	86.6	Confident	89.7	Confident	47 Å²	47	35.9 Å²	35.9	25%	0.251	18%	0.175	S	C	.	.			trans	-62.4	141.2	-176.6	-60.7	-41.3	0	0	0	111.4	K246	D169-K246 HydrophobicContact CB-CD 4.33Å; D169-K246 WeakPolarHBondContact O-CE 3.43Å; D169-K246 PolarHBondContact O-NZ 2.74Å
170	C	89.8	Confident	89.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.			trans	-72.6	133.1	-177.8	-171.2	0	0	0	0	110.6	K221 P224 C227	C170-K221 HydrophobicContact CB-CB 3.93Å; C170-K221 HydrophobicContact CB-CG 4.38Å; C170-K221 WeakPolarHBondContact O-CB 3.47Å; C170-K221 PolarHBondContact O-N 2.84Å; C170-P224 WeakPolarHBondContact CB-O 3.29Å; C170-C227 WeakPolarHBondContact CA-SG 3.45Å; C170-C227 HydrophobicContact CB-CB 3.56Å; C170-C227 WeakPolarHBondContact CB-SG 2.97Å; C170-C227 WeakPolarHBondContact SG-CB 3.28Å; C170-C227 PolarHBondContact SG-N 2.67Å; C170-C227 CovalentContact SG-SG 2.03Å; C170-C227 PolarHBondContact SG-SG 3.15Å
171	M	92.6	Very high	88.7	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.2	178.9	-173.4	178.2	69.6	0	0	110.4	V163 V173 T197 T198 F218 V219 V220 K246 F248	V163-M171 HydrophobicContact CG1-CE 3.76Å; M171-V173 HydrophobicContact CE-CG2 3.83Å; M171-T197 CarbonylContact O-C 3.33Å; M171-T197 WeakPolarHBondContact O-CA 3.41Å; M171-T198 HydrophobicContact CB-CG2 4.1Å; M171-T198 HydrophobicContact CE-CG2 3.7Å; M171-T198 PolarHBondContact N-O 3.1Å; M171-T198 PolarHBondContact O-N 3.25Å; M171-F218 HydrophobicContact CE-CD1 4.26Å; M171-F218 HydrophobicContact SD-CB 4.12Å; M171-V219 CarbonylContact C-O 3.58Å; M171-V219 WeakPolarHBondContact CA-O 3.03Å; M171-V219 VanDerWaalsContact CG-O 3.3Å; M171-V219 WeakPolarHBondContact CG-O 3.38Å; M171-V220 HydrophobicContact CG-CG2 4.44Å; M171-K246 HydrophobicContact CB-CD 3.86Å; M171-K246 VanDerWaalsContact CB-NZ 3.34Å; M171-K246 HydrophobicContact CG-CD 4.45Å; M171-K246 HydrophobicContact SD-CD 3.98Å; M171-F248 HydrophobicContact CE-CD1 4.3Å; M171-F248 HydrophobicContact CE-CG 4.28Å; M171-F248 HydrophobicContact SD-CD1 3.85Å; M171-F248 HydrophobicContact SD-CE1 3.73Å; M171-F248 HydrophobicContact SD-CG 4.41Å; M171-F248 HydrophobicContact SD-CZ 4.19Å
172	I	93.2	Very high	88.4	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.9	169.1	-62.1	168.7	0	0	0	108.3	V189 K190 Y195 Q196 T197 F218 V219 K221	I172-V189 HydrophobicContact CB-CG1 4.25Å; I172-V189 HydrophobicContact CD1-CG1 3.69Å; I172-V189 HydrophobicContact CG2-CG1 3.98Å; I172-V189 HydrophobicContact CG2-CG2 4.18Å; I172-K190 VanDerWaalsContact CD1-CE 3.41Å; I172-K190 HydrophobicContact CD1-CG 4.34Å; I172-Y195 HydrophobicContact CG2-CD2 4.45Å; I172-Q196 WeakPolarHBondContact CA-O 3.4Å; I172-T197 HydrophobicContact CG1-CG2 4.07Å; I172-F218 WeakPolarHBondContact O-CA 3.37Å; I172-V219 PolarHBondContact N-O 3Å; I172-V219 PolarHBondContact O-N 3.11Å; I172-K221 HydrophobicContact CD1-CD 4.03Å; I172-K221 HydrophobicContact CD1-CG 4.03Å; I172-K221 HydrophobicContact CG1-CD 4.24Å; I172-K221 HydrophobicContact CG1-CG 3.97Å
173	V	93.5	Very high	88.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.2	166.9	-173.7	0	0	0	0	107.1	V163 M171 Y195 Q196 T198 A202 L204 F218	V163-V173 HydrophobicContact CG2-CG1 4.23Å; V163-V173 HydrophobicContact CG2-CG2 3.97Å; M171-V173 HydrophobicContact CE-CG2 3.83Å; V173-Y195 CarbonylContact O-C 3.58Å; V173-Y195 WeakPolarHBondContact O-CA 3.4Å; V173-Q196 PolarHBondContact N-O 2.91Å; V173-Q196 PolarHBondContact O-N 3.11Å; V173-T198 HydrophobicContact CG2-CG2 3.75Å; V173-A202 HydrophobicContact CG2-CB 4.07Å; V173-L204 HydrophobicContact CB-CD1 3.93Å; V173-L204 HydrophobicContact CG1-CD1 3.72Å; V173-L204 HydrophobicContact CG1-CD2 4.23Å; V173-F218 HydrophobicContact CB-CD1 4.48Å; V173-F218 HydrophobicContact CG1-CD1 4.05Å; V173-F218 HydrophobicContact CG1-CE1 3.78Å; V173-F218 HydrophobicContact CG2-CD1 4.08Å; V173-F218 HydrophobicContact CG2-CE1 4.35Å
174	S	93.1	Very high	87.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.8	-177.5	179.3	0	0	0	0	110.4	Q176 V189 M194 V217	S174-Q176 WeakPolarHBondContact OG-CG 3.28Å; S174-Q176 PolarHBondContact OG-NE2 3.04Å; S174-V189 VanDerWaalsContact CB-CG2 3.47Å; S174-V189 PolarHBondContact OG-O 3.06Å; S174-V189 VanDerWaalsContact OG-O 3.11Å; S174-M194 CarbonylContact C-O 3.48Å; S174-M194 WeakPolarHBondContact CA-O 3.37Å; S174-V217 PolarHBondContact N-O 3.01Å; S174-V217 PolarHBondContact O-N 2.57Å
175	V	91.1	Very high	87.5	Confident	7 Å²	7	43.3 Å²	43.3	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114.3	172.5	179.3	0	0	0	0	108	G193 M194 L204 V206 V214 H215	V175-G193 VanDerWaalsContact O-CA 3.27Å; V175-G193 WeakPolarHBondContact O-CA 3.47Å; V175-M194 HydrophobicContact CB-CG 3.95Å; V175-M194 PolarHBondContact N-O 3.29Å; V175-M194 PolarHBondContact O-N 3.48Å; V175-L204 HydrophobicContact CG2-CB 4.39Å; V175-L204 HydrophobicContact CG2-CD2 3.96Å; V175-V206 HydrophobicContact CB-CG2 4.3Å; V175-V206 HydrophobicContact CG1-CG1 3.83Å; V175-V206 HydrophobicContact CG1-CG2 3.81Å; V175-V206 HydrophobicContact CG2-CG2 3.87Å; V175-V214 HydrophobicContact CG1-CB 3.96Å; V175-V214 HydrophobicContact CG1-CG1 4.28Å; V175-V214 HydrophobicContact CG1-CG2 3.97Å; V175-H215 CarbonylContact C-O 3.07Å; V175-H215 WeakPolarHBondContact CA-O 3.46Å
176	Q	89.8	Confident	87.2	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146	-174.5	-59.6	175.9	29	0	0	110.1	S174 F183 L192 H215 V217	S174-Q176 WeakPolarHBondContact OG-CG 3.28Å; S174-Q176 PolarHBondContact OG-NE2 3.04Å; Q176-F183 PolarHBondContact NE2-O 3.02Å; Q176-F183 VanDerWaalsContact OE1-N 3.11Å; Q176-L192 HydrophobicContact CB-CD2 4.4Å; Q176-H215 HydrophobicContact CB-CB 4.23Å; Q176-H215 PolarHBondContact N-O 3.48Å; Q176-H215 PolarHBondContact O-N 3.49Å; Q176-V217 HydrophobicContact CG-CG2 4.48Å
177	P	86.6	Confident	86.9	Confident	47 Å²	47	39.6 Å²	39.6	31%	0.305	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	159.9	169.1	29.7	-34.6	0	0	0	110.2	Q179 L192 H215	P177-Q179 VanDerWaalsContact C-N 3.25Å; P177-Q179 PolarHBondContact O-N 3.42Å; P177-L192 HydrophobicContact CG-CD1 4.25Å; P177-L192 HydrophobicContact CG-CD2 3.89Å; P177-L192 HydrophobicContact CG-CG 3.99Å; P177-H215 PolarHBondContact O-CD2 2.87Å
178	I	82.2	Confident	87	Confident	54 Å²	54	38.4 Å²	38.4	28%	0.277	20%	0.202	S	C	.	.	S	Bend	trans	-69.8	87.8	171.7	-66.4	-164.4	0	0	0	109.4	F110 H149 R213	F110-I178 HydrophobicContact CD1-CD1 4.5Å; F110-I178 HydrophobicContact CD1-CG2 3.81Å; F110-I178 HydrophobicContact CD2-CG2 3.57Å; F110-I178 HydrophobicContact CE1-CD1 4.1Å; F110-I178 HydrophobicContact CE1-CG2 3.71Å; F110-I178 HydrophobicContact CE2-CG2 3.46Å; F110-I178 VanDerWaalsContact CE2-CG2 3.46Å; F110-I178 HydrophobicContact CG-CG2 3.73Å; F110-I178 HydrophobicContact CZ-CG2 3.51Å; H149-I178 HydrophobicContact CB-CD1 4.35Å; I178-R213 HydrophobicContact CD1-CB 3.25Å; I178-R213 HydrophobicContact CD1-CG 4.28Å; I178-R213 HydrophobicContact CG1-CB 4.15Å; I178-R213 WeakPolarHBondContact CG1-O 3.44Å
179	Q	79.3	Confident	87.2	Confident	109 Å²	109	30.9 Å²	30.9	51%	0.509	17%	0.173	S	C	.	.			trans	-143.1	141.7	178.1	-172.7	172.3	16.1	0	0	109.3	P177 L192	P177-Q179 VanDerWaalsContact C-N 3.25Å; P177-Q179 PolarHBondContact O-N 3.42Å; Q179-L192 HydrophobicContact CB-CD2 4.36Å
180	C	78.5	Confident	87.2	Confident	57 Å²	57	32.1 Å²	32.1	39%	0.385	18%	0.176	S	C	.	.	S	Bend	trans	-100.8	144.9	175.1	-56.9	0	0	0	0	110.5	C107	C107-C180 HydrophobicContact CB-CB 3.7Å; C107-C180 WeakPolarHBondContact CB-SG 3.4Å; C107-C180 VanDerWaalsContact SG-CA 3.56Å; C107-C180 WeakPolarHBondContact SG-CB 3.39Å; C107-C180 CovalentContact SG-SG 2.01Å; C107-C180 PolarHBondContact SG-SG 3.48Å
181	P	79.5	Confident	87	Confident	81 Å²	81	39.2 Å²	39.2	53%	0.526	21%	0.207	S	C	.	.	S	Bend	cis	-72.7	150.1	-4.7	32.1	-35.4	0	0	0	111.9	F183	P181-F183 HydrophobicContact CG-CE1 4.21Å; P181-F183 HydrophobicContact CG-CZ 4.43Å; P181-F183 PolarHBondContact O-N 2.77Å
182	V	84.4	Confident	86.6	Confident	18 Å²	18	40.9 Å²	40.9	11%	0.109	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-73.7	125.6	170.7	179.6	0	0	0	0	108.3	F148 D184 V217	F148-V182 HydrophobicContact CE1-CG2 4.35Å; F148-V182 HydrophobicContact CZ-CG2 3.97Å; V182-D184 PolarHBondContact O-N 3.22Å; V182-V217 HydrophobicContact CG1-CG2 3.81Å
183	F	88.1	Confident	86.2	Confident	50 Å²	50	42.6 Å²	42.6	22%	0.219	23%	0.234	C	C	.	.			trans	-85.3	99.8	-179.1	-67.3	-61.6	0	0	0	110.4	Q176 P181 N188 L192	Q176-F183 PolarHBondContact NE2-O 3.02Å; Q176-F183 VanDerWaalsContact OE1-N 3.11Å; P181-F183 HydrophobicContact CG-CE1 4.21Å; P181-F183 HydrophobicContact CG-CZ 4.43Å; P181-F183 PolarHBondContact O-N 2.77Å; F183-N188 WeakPolarHBondContact CA-OD1 3.38Å; F183-N188 HydrophobicContact CB-CB 4.36Å; F183-N188 WeakPolarHBondContact CB-O 3.35Å; F183-N188 WeakPolarHBondContact CB-OD1 3.2Å; F183-N188 HydrophobicContact CD1-CB 3.7Å; F183-N188 HydrophobicContact CE1-CB 4.37Å; F183-N188 HydrophobicContact CG-CB 4.32Å; F183-L192 HydrophobicContact CD2-CB 3.56Å; F183-L192 HydrophobicContact CD2-CD2 4.04Å; F183-L192 HydrophobicContact CD2-CG 4.44Å; F183-L192 HydrophobicContact CE2-CB 3.83Å; F183-L192 HydrophobicContact CE2-CD2 4.12Å; F183-L192 HydrophobicContact CE2-CG 4.5Å
184	D	87	Confident	86	Confident	34 Å²	34	44.1 Å²	44.1	18%	0.182	24%	0.241	C	C	.	.			trans	-120.5	17.3	-171.6	63.6	-21.6	0	0	0	113.8	R104 V182 N188 V217	R104-D184 IonicContact CZ-OD1 3.4Å; R104-D184 IonicContact CZ-OD2 3.49Å; R104-D184 IonicContact NH1-OD1 2.68Å; R104-D184 PolarHBondContact NH1-OD1 3.4Å; R104-D184 IonicContact NH1-OD2 3.3Å; R104-D184 PolarHBondContact NH1-OD2 3.42Å; R104-D184 IonicContact NH2-OD1 3.92Å; R104-D184 PolarHBondContact NH2-OD1 3.4Å; R104-D184 IonicContact NH2-OD2 2.68Å; V182-D184 PolarHBondContact O-N 3.22Å; D184-N188 PolarHBondContact N-OD1 2.9Å; D184-V217 HydrophobicContact CB-CG1 4.12Å
185	L	88	Confident	85.9	Confident	38 Å²	38	45.5 Å²	45.5	20%	0.199	25%	0.246	C	C	.	.	S	Bend	trans	-111.2	150.7	174.2	-62.1	173.3	0	0	0	111.1	L91 T187 N188 V189	L91-L185 HydrophobicContact CD2-CD2 4.45Å; L185-T187 PolarHBondContact O-N 3.01Å; L185-T187 VanDerWaalsContact O-N 3.08Å; L185-N188 WeakPolarHBondContact CA-OD1 3.43Å; L185-N188 WeakPolarHBondContact CB-OD1 3.48Å; L185-N188 PolarHBondContact N-OD1 3.2Å; L185-N188 PolarHBondContact O-N 2.79Å; L185-N188 PolarHBondContact O-OD1 3Å; L185-V189 VanDerWaalsContact O-CB 3.25Å; L185-V189 WeakPolarHBondContact O-CB 3.37Å; L185-V189 WeakPolarHBondContact O-CG1 3.27Å; L185-V189 PolarHBondContact O-N 2.94Å
186	D	85.3	Confident	86	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.037	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-35.3	176.8	-168.6	-3.6	0	0	0	112.2	V219 K221 A222	D186-V219 HydrophobicContact CB-CG1 4.23Å; D186-K221 WeakPolarHBondContact OD1-CE 3.33Å; D186-K221 IonicContact OD1-NZ 2.7Å; D186-K221 PolarHBondContact OD1-NZ 3.07Å; D186-K221 WeakPolarHBondContact OD2-CA 3.24Å; D186-K221 WeakPolarHBondContact OD2-CE 3.26Å; D186-K221 IonicContact OD2-NZ 3.5Å; D186-K221 PolarHBondContact OD2-NZ 3.3Å; D186-A222 PolarHBondContact OD2-N 3.15Å
187	T	84.7	Confident	86.1	Confident	74 Å²	74	45.9 Å²	45.9	45%	0.454	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-22.9	-178.9	54.8	0	0	0	0	114.7	L185 F191	L185-T187 PolarHBondContact O-N 3.01Å; L185-T187 VanDerWaalsContact O-N 3.08Å; T187-F191 VanDerWaalsContact O-CZ 3.24Å; T187-F191 WeakPolarHBondContact O-CZ 3.26Å
188	N	89	Confident	86.3	Confident	23 Å²	23	43.7 Å²	43.7	12%	0.123	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-16.8	-170.9	70.2	15.5	0	0	0	114.6	F183 D184 L185 K190 F191	F183-N188 WeakPolarHBondContact CA-OD1 3.38Å; F183-N188 HydrophobicContact CB-CB 4.36Å; F183-N188 WeakPolarHBondContact CB-O 3.35Å; F183-N188 WeakPolarHBondContact CB-OD1 3.2Å; F183-N188 HydrophobicContact CD1-CB 3.7Å; F183-N188 HydrophobicContact CE1-CB 4.37Å; F183-N188 HydrophobicContact CG-CB 4.32Å; D184-N188 PolarHBondContact N-OD1 2.9Å; L185-N188 WeakPolarHBondContact CA-OD1 3.43Å; L185-N188 WeakPolarHBondContact CB-OD1 3.48Å; L185-N188 PolarHBondContact N-OD1 3.2Å; L185-N188 PolarHBondContact O-N 2.79Å; L185-N188 PolarHBondContact O-OD1 3Å; N188-K190 PolarHBondContact O-N 3.44Å; N188-F191 HydrophobicContact CB-CD2 3.77Å; N188-F191 HydrophobicContact CB-CE2 3.83Å; N188-F191 WeakPolarHBondContact O-CB 3.49Å; N188-F191 WeakPolarHBondContact O-CG 3.36Å; N188-F191 PolarHBondContact O-N 3.48Å
189	V	88.7	Confident	86.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-19	-177.4	66.4	0	0	0	0	113.5	I172 S174 L185 V217 V219	I172-V189 HydrophobicContact CB-CG1 4.25Å; I172-V189 HydrophobicContact CD1-CG1 3.69Å; I172-V189 HydrophobicContact CG2-CG1 3.98Å; I172-V189 HydrophobicContact CG2-CG2 4.18Å; S174-V189 VanDerWaalsContact CB-CG2 3.47Å; S174-V189 PolarHBondContact OG-O 3.06Å; S174-V189 VanDerWaalsContact OG-O 3.11Å; L185-V189 VanDerWaalsContact O-CB 3.25Å; L185-V189 WeakPolarHBondContact O-CB 3.37Å; L185-V189 WeakPolarHBondContact O-CG1 3.27Å; L185-V189 PolarHBondContact O-N 2.94Å; V189-V217 HydrophobicContact CG2-CG1 4.32Å; V189-V219 HydrophobicContact CB-CG2 4.05Å; V189-V219 HydrophobicContact CG1-CB 4.46Å; V189-V219 HydrophobicContact CG1-CG2 4.39Å; V189-V219 HydrophobicContact CG2-CB 4.47Å; V189-V219 HydrophobicContact CG2-CG2 3.76Å
190	K	86.8	Confident	87.3	Confident	73 Å²	73	38.8 Å²	38.8	32%	0.317	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-10.5	178.4	-59.1	-179.4	-176.8	177	0	114.2	I172 N188 Y195	I172-K190 VanDerWaalsContact CD1-CE 3.41Å; I172-K190 HydrophobicContact CD1-CG 4.34Å; N188-K190 PolarHBondContact O-N 3.44Å; K190-Y195 HydrophobicContact CB-CD1 4.11Å; K190-Y195 HydrophobicContact CB-CE1 3.79Å; K190-Y195 HydrophobicContact CB-CE2 4.49Å; K190-Y195 HydrophobicContact CD-CE2 4.09Å; K190-Y195 HydrophobicContact CG-CD1 4.35Å; K190-Y195 HydrophobicContact CG-CD2 4.16Å; K190-Y195 HydrophobicContact CG-CE1 4.17Å; K190-Y195 HydrophobicContact CG-CE2 3.99Å; K190-Y195 HydrophobicContact CG-CG 4.33Å
191	F	85.1	Confident	88	Confident	150 Å²	150	39.1 Å²	39.1	66%	0.658	21%	0.206	S	C	*	.	S	Bend	trans	-79.1	-21.8	-171.9	-65.3	-18.6	0	0	0	114.1	T187 N188	T187-F191 VanDerWaalsContact O-CZ 3.24Å; T187-F191 WeakPolarHBondContact O-CZ 3.26Å; N188-F191 HydrophobicContact CB-CD2 3.77Å; N188-F191 HydrophobicContact CB-CE2 3.83Å; N188-F191 WeakPolarHBondContact O-CB 3.49Å; N188-F191 WeakPolarHBondContact O-CG 3.36Å; N188-F191 PolarHBondContact O-N 3.48Å
192	L	84.7	Confident	88.6	Confident	36 Å²	36	35.5 Å²	35.5	19%	0.188	18%	0.182	C	C	.	.	S	Bend	trans	-133.5	144.9	-174.8	-167.6	69.8	0	0	0	110.8	Q176 P177 Q179 F183	Q176-L192 HydrophobicContact CB-CD2 4.4Å; P177-L192 HydrophobicContact CG-CD1 4.25Å; P177-L192 HydrophobicContact CG-CD2 3.89Å; P177-L192 HydrophobicContact CG-CG 3.99Å; Q179-L192 HydrophobicContact CB-CD2 4.36Å; F183-L192 HydrophobicContact CD2-CB 3.56Å; F183-L192 HydrophobicContact CD2-CD2 4.04Å; F183-L192 HydrophobicContact CD2-CG 4.44Å; F183-L192 HydrophobicContact CE2-CB 3.83Å; F183-L192 HydrophobicContact CE2-CD2 4.12Å; F183-L192 HydrophobicContact CE2-CG 4.5Å
193	G	84.1	Confident	89	Confident	36 Å²	36	34.8 Å²	34.8	37%	0.371	18%	0.178	S	C	.	.	S	Bend	trans	74.2	-145.2	175.2	0	0	0	0	0	112.9	V175	V175-G193 VanDerWaalsContact O-CA 3.27Å; V175-G193 WeakPolarHBondContact O-CA 3.47Å
194	M	89.2	Confident	89.1	Confident	32 Å²	32	32.4 Å²	32.4	16%	0.158	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.3	178.2	58.1	-172.4	-79.6	0	0	110.3	S174 V175 L204 T205 G394 Q396	S174-M194 CarbonylContact C-O 3.48Å; S174-M194 WeakPolarHBondContact CA-O 3.37Å; V175-M194 HydrophobicContact CB-CG 3.95Å; V175-M194 PolarHBondContact N-O 3.29Å; V175-M194 PolarHBondContact O-N 3.48Å; M194-L204 HydrophobicContact CE-CB 4.33Å; M194-L204 HydrophobicContact CE-CD2 4.38Å; M194-T205 WeakPolarHBondContact CE-O 3.4Å; M194-G394 WeakPolarHBondContact CA-O 3.37Å; M194-Q396 HydrophobicContact CB-CG 4.47Å; M194-Q396 HydrophobicContact CE-CG 4.1Å
195	Y	92.2	Very high	89.2	Confident	28 Å²	28	31.9 Å²	31.9	11%	0.11	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	155.2	-176.3	69	-91	0	0	0	113.1	I172 V173 K190 G394 N395 Q396	I172-Y195 HydrophobicContact CG2-CD2 4.45Å; V173-Y195 CarbonylContact O-C 3.58Å; V173-Y195 WeakPolarHBondContact O-CA 3.4Å; K190-Y195 HydrophobicContact CB-CD1 4.11Å; K190-Y195 HydrophobicContact CB-CE1 3.79Å; K190-Y195 HydrophobicContact CB-CE2 4.49Å; K190-Y195 HydrophobicContact CD-CE2 4.09Å; K190-Y195 HydrophobicContact CG-CD1 4.35Å; K190-Y195 HydrophobicContact CG-CD2 4.16Å; K190-Y195 HydrophobicContact CG-CE1 4.17Å; K190-Y195 HydrophobicContact CG-CE2 3.99Å; K190-Y195 HydrophobicContact CG-CG 4.33Å; Y195-G394 PolarHBondContact N-O 3.33Å; Y195-G394 VanDerWaalsContact N-O 3.07Å; Y195-N395 HydrophobicContact CE1-CB 3.94Å; Y195-N395 HydrophobicContact CE2-CB 4.31Å; Y195-N395 WeakPolarHBondContact CE2-OD1 3.3Å; Y195-N395 WeakPolarHBondContact OH-CB 3.38Å; Y195-N395 PolarHBondContact OH-ND2 3.21Å; Y195-Q396 WeakPolarHBondContact O-CB 3.35Å; Y195-Q396 PolarHBondContact O-N 2.93Å
196	Q	92.5	Very high	89.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.8	173.2	-70.3	-175.8	-0.7	0	0	110.2	I172 V173 S203 L204 Q396 D397 F403	I172-Q196 WeakPolarHBondContact CA-O 3.4Å; V173-Q196 PolarHBondContact N-O 2.91Å; V173-Q196 PolarHBondContact O-N 3.11Å; Q196-S203 PolarHBondContact NE2-O 2.94Å; Q196-S203 PolarHBondContact OE1-O 3.18Å; Q196-L204 HydrophobicContact CB-CD1 4.05Å; Q196-L204 HydrophobicContact CB-CG 4.45Å; Q196-L204 VanDerWaalsContact CD-CD1 3.48Å; Q196-L204 HydrophobicContact CG-CD1 3.94Å; Q196-L204 HydrophobicContact CG-CD2 4.16Å; Q196-L204 HydrophobicContact CG-CG 3.89Å; Q196-Q396 HydrophobicContact CG-CB 3.48Å; Q196-Q396 VanDerWaalsContact CG-CB 3.48Å; Q196-Q396 HydrophobicContact CG-CG 4.24Å; Q196-D397 WeakPolarHBondContact CA-OD1 3.44Å; Q196-F403 VanDerWaalsContact NE2-CE1 3.35Å
197	T	92	Very high	89.2	Confident	17 Å²	17	32.1 Å²	32.1	10%	0.104	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	145.1	164.9	51.2	0	0	0	0	111.5	M171 I172 D397 R695	M171-T197 CarbonylContact O-C 3.33Å; M171-T197 WeakPolarHBondContact O-CA 3.41Å; I172-T197 HydrophobicContact CG1-CG2 4.07Å; T197-D397 WeakPolarHBondContact CB-OD2 3.26Å; T197-D397 WeakPolarHBondContact CG2-OD2 3.5Å; T197-D397 PolarHBondContact N-OD1 3.17Å; T197-D397 PolarHBondContact N-OD2 3.43Å; T197-D397 PolarHBondContact OG1-OD1 2.93Å; T197-D397 PolarHBondContact OG1-OD2 2.9Å; T197-R695 PolarHBondContact O-NH1 2.96Å
198	T	92.2	Very high	89.1	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	142.6	-177.5	-175.5	0	0	0	0	113.5	M171 V173 K201 A202 K246	M171-T198 HydrophobicContact CB-CG2 4.1Å; M171-T198 HydrophobicContact CE-CG2 3.7Å; M171-T198 PolarHBondContact N-O 3.1Å; M171-T198 PolarHBondContact O-N 3.25Å; V173-T198 HydrophobicContact CG2-CG2 3.75Å; T198-K201 PolarHBondContact OG1-N 3.37Å; T198-K201 PolarHBondContact OG1-O 3.37Å; T198-A202 HydrophobicContact CG2-CB 4.02Å; T198-K246 PolarHBondContact O-NZ 3.45Å; T198-K246 VanDerWaalsContact O-NZ 3.13Å
199	T	90.7	Very high	88.4	Confident	10 Å²	10	39 Å²	39	6%	0.061	19%	0.189	C	C	.	.	S	Bend	trans	-96.6	-77.2	165.8	47.1	0	0	0	0	108.7	C227 K246 A692 E696	T199-C227 HydrophobicContact CG2-CB 3.63Å; T199-K246 WeakPolarHBondContact O-CE 3.13Å; T199-K246 PolarHBondContact O-NZ 2.77Å; T199-A692 HydrophobicContact CG2-CB 4.24Å; T199-E696 WeakPolarHBondContact CB-OE1 3.39Å; T199-E696 PolarHBondContact OG1-OE1 3.32Å
200	K	91.4	Very high	87.4	Confident	50 Å²	50	46.8 Å²	46.8	22%	0.217	22%	0.223	C	C	.	.	S	Bend	trans	-97.8	-38.6	-176.8	-64.9	-179	-178.6	156.5	0	115	E164 S165 Y168 E696	E164-K200 CarbonylContact C-O 3.47Å; E164-K200 WeakPolarHBondContact CA-O 3.49Å; S165-K200 PolarHBondContact N-O 2.89Å; S165-K200 WeakPolarHBondContact O-CB 3.43Å; Y168-K200 HydrophobicContact CE1-CD 4.43Å; Y168-K200 VanDerWaalsContact CZ-NZ 3.26Å; Y168-K200 WeakPolarHBondContact OH-CE 3.42Å; Y168-K200 PolarHBondContact OH-NZ 3.36Å; K200-E696 HydrophobicContact CB-CG 4.16Å; K200-E696 HydrophobicContact CD-CG 4.48Å; K200-E696 HydrophobicContact CG-CG 4.47Å; K200-E696 IonicContact NZ-OE2 3.9Å; K200-E696 PolarHBondContact NZ-OE2 2.91Å
201	K	92.6	Very high	86.4	Confident	64 Å²	64	44.4 Å²	44.4	28%	0.278	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.8	-170	-71.2	-173.3	173.4	-171.9	0	111.6	V163 T198 E404 R695 N698	V163-K201 WeakPolarHBondContact O-CA 3.4Å; T198-K201 PolarHBondContact OG1-N 3.37Å; T198-K201 PolarHBondContact OG1-O 3.37Å; K201-E404 IonicContact NZ-OE2 3.42Å; K201-R695 VanDerWaalsContact O-CB 3.32Å; K201-R695 WeakPolarHBondContact O-CB 3.34Å; K201-N698 PolarHBondContact NZ-O 3.42Å
202	A	93.1	Very high	86.1	Confident	4 Å²	4	43.4 Å²	43.4	3%	0.033	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.6	167.1	0	0	0	0	0	110.5	R162 V163 V173 T198 L204	R162-A202 WeakPolarHBondContact CA-O 3.49Å; V163-A202 HydrophobicContact CB-CB 4.19Å; V163-A202 HydrophobicContact CG2-CB 4.5Å; V163-A202 PolarHBondContact N-O 3.33Å; V163-A202 PolarHBondContact O-N 3.23Å; V173-A202 HydrophobicContact CG2-CB 4.07Å; T198-A202 HydrophobicContact CG2-CB 4.02Å; A202-L204 HydrophobicContact CB-CD1 4.16Å
203	S	92.1	Very high	86.1	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.028	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	118.3	177.3	-155.3	0	0	0	0	108.1	N160 V161 Q196 F403	N160-S203 PolarHBondContact ND2-OG 3.31Å; N160-S203 PolarHBondContact OD1-OG 3.48Å; V161-S203 WeakPolarHBondContact O-CA 3.27Å; Q196-S203 PolarHBondContact NE2-O 2.94Å; Q196-S203 PolarHBondContact OE1-O 3.18Å; S203-F403 VanDerWaalsContact O-CB 3.29Å; S203-F403 WeakPolarHBondContact O-CB 3.44Å; S203-F403 PolarHBondContact OG-O 2.79Å
204	L	90.4	Very high	86.2	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	114.1	-178.6	-74.1	82.3	0	0	0	109.8	N160 V161 V173 V175 M194 Q196 A202	N160-L204 PolarHBondContact OD1-N 3.5Å; N160-L204 PolarHBondContact OD1-O 2.87Å; V161-L204 PolarHBondContact N-O 3.37Å; V161-L204 PolarHBondContact O-N 3.42Å; V173-L204 HydrophobicContact CB-CD1 3.93Å; V173-L204 HydrophobicContact CG1-CD1 3.72Å; V173-L204 HydrophobicContact CG1-CD2 4.23Å; V175-L204 HydrophobicContact CG2-CB 4.39Å; V175-L204 HydrophobicContact CG2-CD2 3.96Å; M194-L204 HydrophobicContact CE-CB 4.33Å; M194-L204 HydrophobicContact CE-CD2 4.38Å; Q196-L204 HydrophobicContact CB-CD1 4.05Å; Q196-L204 HydrophobicContact CB-CG 4.45Å; Q196-L204 VanDerWaalsContact CD-CD1 3.48Å; Q196-L204 HydrophobicContact CG-CD1 3.94Å; Q196-L204 HydrophobicContact CG-CD2 4.16Å; Q196-L204 HydrophobicContact CG-CG 3.89Å; A202-L204 HydrophobicContact CB-CD1 4.16Å
205	T	88.8	Confident	86.2	Confident	23 Å²	23	43.5 Å²	43.5	14%	0.141	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118.7	173.4	-59.8	0	0	0	0	110.6	Y158 V159 M194 L255 P408	Y158-T205 HydrophobicContact CD1-CG2 3.93Å; V159-T205 WeakPolarHBondContact O-CA 3.32Å; M194-T205 WeakPolarHBondContact CE-O 3.4Å; T205-L255 HydrophobicContact CG2-CD1 3.36Å; T205-P408 HydrophobicContact CG2-CG 3.85Å
206	V	87.7	Confident	86.1	Confident	7 Å²	7	43.8 Å²	43.8	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.1	-179.5	-164.5	0	0	0	0	109.8	F152 Y158 V159 V161 V175 V214	F152-V206 HydrophobicContact CE2-CG1 4.31Å; F152-V206 HydrophobicContact CZ-CB 3.99Å; F152-V206 HydrophobicContact CZ-CG1 3.72Å; Y158-V206 WeakPolarHBondContact CA-O 3.27Å; V159-V206 HydrophobicContact CG2-CB 3.97Å; V159-V206 HydrophobicContact CG2-CG2 4.45Å; V159-V206 PolarHBondContact N-O 3.49Å; V159-V206 VanDerWaalsContact N-O 3.1Å; V159-V206 PolarHBondContact O-N 3.4Å; V161-V206 HydrophobicContact CG2-CG2 4.06Å; V175-V206 HydrophobicContact CB-CG2 4.3Å; V175-V206 HydrophobicContact CG1-CG1 3.83Å; V175-V206 HydrophobicContact CG1-CG2 3.81Å; V175-V206 HydrophobicContact CG2-CG2 3.87Å; V206-V214 HydrophobicContact CG1-CG1 4.2Å; V206-V214 HydrophobicContact CG1-CG2 4.37Å
207	H	85.7	Confident	86	Confident	43 Å²	43	44.5 Å²	44.5	20%	0.199	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131	179.1	-172	-135.9	0	0	0	111.8	E157 Y158 E209 K210	E157-H207 PolarHBondContact O-CD2 3.18Å; Y158-H207 HydrophobicContact CD1-CB 4.01Å; Y158-H207 AromaticContact CD1-CD2 3.6Å; Y158-H207 HydrophobicContact CE1-CB 3.73Å; Y158-H207 AromaticContact CE1-CD2 3.13Å; Y158-H207 WeakPolarHBondContact CE1-CD2 3.18Å; Y158-H207 AromaticContact CE1-CG 3.58Å; Y158-H207 AromaticContact CE1-NE2 3.96Å; Y158-H207 AromaticContact CE2-CD2 3.59Å; Y158-H207 AromaticContact CE2-NE2 3.8Å; Y158-H207 AromaticContact CZ-CD2 3.1Å; Y158-H207 AromaticContact CZ-CG 3.9Å; Y158-H207 AromaticContact CZ-NE2 3.46Å; Y158-H207 PolarHBondContact OH-CD2 3.48Å; Y158-H207 PolarHBondContact OH-NE2 2.95Å; H207-E209 WeakPolarHBondContact CE1-CB 3.23Å; H207-E209 IonicContact CE1-OE2 3.39Å; H207-E209 PolarHBondContact CE1-OE2 2.84Å; H207-E209 VanDerWaalsContact ND1-CB 3.34Å; H207-E209 WeakPolarHBondContact ND1-CB 3.48Å; H207-E209 IonicContact ND1-OE2 2.82Å; H207-E209 PolarHBondContact O-N 3.36Å; H207-K210 PolarHBondContact O-N 3.39Å
208	R	82.7	Confident	86	Confident	74 Å²	74	46.7 Å²	46.7	28%	0.279	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-62.9	-35.7	-178.3	-175.7	174.9	172.3	175.6	-1.1	113.4	F152 P153 V156 E157 K210 A211 E212	F152-R208 HydrophobicContact CB-CG 4.25Å; F152-R208 HydrophobicContact CD1-CB 3.64Å; F152-R208 HydrophobicContact CD1-CG 4Å; F152-R208 HydrophobicContact CE1-CB 3.75Å; F152-R208 HydrophobicContact CG-CB 4.17Å; F152-R208 HydrophobicContact CG-CG 4.05Å; F152-R208 HydrophobicContact CZ-CB 4.37Å; P153-R208 PolarHBondContact O-NH1 2.97Å; V156-R208 VanDerWaalsContact O-CD 3.23Å; V156-R208 WeakPolarHBondContact O-CD 3.47Å; E157-R208 VanDerWaalsContact O-CB 3.27Å; E157-R208 WeakPolarHBondContact O-CB 3.45Å; E157-R208 PolarHBondContact O-N 3.41Å; R208-K210 PolarHBondContact O-N 2.9Å; R208-K210 VanDerWaalsContact O-N 3.07Å; R208-A211 CarbonylContact O-C 3.54Å; R208-A211 PolarHBondContact O-N 2.98Å; R208-A211 VanDerWaalsContact O-O 3.06Å; R208-E212 IonicContact NH2-OE1 3.1Å; R208-E212 PolarHBondContact NH2-OE1 2.88Å
209	E	73.1	Confident	85.9	Confident	167 Å²	167	47.3 Å²	47.3	78%	0.78	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-58.1	-27.4	-177.8	-167.8	-175.2	-169.3	0	0	112.4	H207	H207-E209 WeakPolarHBondContact CE1-CB 3.23Å; H207-E209 IonicContact CE1-OE2 3.39Å; H207-E209 PolarHBondContact CE1-OE2 2.84Å; H207-E209 VanDerWaalsContact ND1-CB 3.34Å; H207-E209 WeakPolarHBondContact ND1-CB 3.48Å; H207-E209 IonicContact ND1-OE2 2.82Å; H207-E209 PolarHBondContact O-N 3.36Å
210	K	67.9	Low	85.9	Confident	163 Å²	163	49.1 Å²	49.1	71%	0.709	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-74.7	-33.3	176.7	-69.1	-173.1	176.8	-177.5	0	112.7	H207 R208	H207-K210 PolarHBondContact O-N 3.39Å; R208-K210 PolarHBondContact O-N 2.9Å; R208-K210 VanDerWaalsContact O-N 3.07Å
211	A	67.1	Low	85.7	Confident	24 Å²	24	46.9 Å²	46.9	20%	0.198	22%	0.222	C	C	.	.			trans	-169.4	137.8	174	0	0	0	0	0	111.4	F152 R208 R213 V214	F152-A211 WeakPolarHBondContact CE2-O 3.49Å; R208-A211 CarbonylContact O-C 3.54Å; R208-A211 PolarHBondContact O-N 2.98Å; R208-A211 VanDerWaalsContact O-O 3.06Å; A211-R213 WeakPolarHBondContact CB-O 3.41Å; A211-R213 PolarHBondContact O-N 3.25Å; A211-V214 HydrophobicContact CB-CG1 3.89Å
212	E	78.3	Confident	85.2	Confident	129 Å²	129	44 Å²	44	60%	0.603	21%	0.21	S	C	*	.	S	Bend	trans	-68.8	-17.5	172.7	-61.1	-161.9	129.1	0	0	113.4	F152 R208	F152-E212 WeakPolarHBondContact CD2-O 3.24Å; F152-E212 PolarHBondContact N-O 2.91Å; R208-E212 IonicContact NH2-OE1 3.1Å; R208-E212 PolarHBondContact NH2-OE1 2.88Å
213	R	83.3	Confident	84.5	Confident	98 Å²	98	44.4 Å²	44.4	37%	0.37	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.7	178.5	-51.4	-173.2	174.7	157.8	1.3	109.3	L150 N151 I178 A211	L150-R213 VanDerWaalsContact O-CA 3.23Å; L150-R213 WeakPolarHBondContact O-CA 3.13Å; N151-R213 WeakPolarHBondContact OD1-CD 3.41Å; N151-R213 WeakPolarHBondContact OD1-CG 3.38Å; N151-R213 PolarHBondContact OD1-NE 3.37Å; I178-R213 HydrophobicContact CD1-CB 3.25Å; I178-R213 HydrophobicContact CD1-CG 4.28Å; I178-R213 HydrophobicContact CG1-CB 4.15Å; I178-R213 WeakPolarHBondContact CG1-O 3.44Å; A211-R213 WeakPolarHBondContact CB-O 3.41Å; A211-R213 PolarHBondContact O-N 3.25Å
214	V	88	Confident	83.6	Confident	6 Å²	6	45.8 Å²	45.8	4%	0.036	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.1	-178.9	-65.9	0	0	0	0	112.2	L150 F152 V175 V206 A211 V216	L150-V214 HydrophobicContact CB-CG2 3.89Å; L150-V214 HydrophobicContact CD2-CG2 4.06Å; L150-V214 HydrophobicContact CG-CG2 4.27Å; L150-V214 PolarHBondContact N-O 3Å; L150-V214 PolarHBondContact O-N 2.94Å; F152-V214 HydrophobicContact CE2-CG1 4.24Å; F152-V214 HydrophobicContact CE2-CG2 4.24Å; V175-V214 HydrophobicContact CG1-CB 3.96Å; V175-V214 HydrophobicContact CG1-CG1 4.28Å; V175-V214 HydrophobicContact CG1-CG2 3.97Å; V206-V214 HydrophobicContact CG1-CG1 4.2Å; V206-V214 HydrophobicContact CG1-CG2 4.37Å; A211-V214 HydrophobicContact CB-CG1 3.89Å; V214-V216 HydrophobicContact CG2-CG2 4.46Å
215	H	88.1	Confident	82.8	Confident	2 Å²	2	51 Å²	51	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129	167.2	-67.6	-48.2	0	0	0	109.8	F110 F148 V175 Q176 P177 V217	F110-H215 AromaticContact CZ-CE1 3.55Å; F110-H215 AromaticContact CZ-NE2 3.55Å; F148-H215 AromaticContact CD1-CE1 3.57Å; F148-H215 AromaticContact CD1-ND1 3.78Å; F148-H215 AromaticContact CE1-CE1 3.21Å; F148-H215 WeakPolarHBondContact CE1-CE1 3.25Å; F148-H215 AromaticContact CE1-ND1 3.49Å; F148-H215 WeakPolarHBondContact CE1-ND1 3.49Å; V175-H215 CarbonylContact C-O 3.07Å; V175-H215 WeakPolarHBondContact CA-O 3.46Å; Q176-H215 HydrophobicContact CB-CB 4.23Å; Q176-H215 PolarHBondContact N-O 3.48Å; Q176-H215 PolarHBondContact O-N 3.49Å; P177-H215 PolarHBondContact O-CD2 2.87Å; H215-V217 HydrophobicContact CB-CG2 4.22Å
216	V	89.5	Confident	82.3	Confident	33 Å²	33	52.7 Å²	52.7	20%	0.2	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	110.1	170.2	-170.7	0	0	0	0	107.3	L150 V161 V214 F218	L150-V216 HydrophobicContact CB-CG2 4.21Å; L150-V216 HydrophobicContact CD2-CG2 4.3Å; V161-V216 HydrophobicContact CG1-CG1 3.89Å; V161-V216 HydrophobicContact CG2-CG2 4.38Å; V214-V216 HydrophobicContact CG2-CG2 4.46Å; V216-F218 HydrophobicContact CB-CE2 4.32Å; V216-F218 HydrophobicContact CB-CZ 4.27Å; V216-F218 HydrophobicContact CG1-CE1 3.89Å; V216-F218 HydrophobicContact CG1-CE2 3.76Å; V216-F218 HydrophobicContact CG1-CZ 3.3Å
217	V	90.5	Very high	82	Confident	15 Å²	15	52.5 Å²	52.5	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.8	-172.6	-171.5	0	0	0	0	109.1	S174 Q176 V182 D184 V189 H215 V219	S174-V217 PolarHBondContact N-O 3.01Å; S174-V217 PolarHBondContact O-N 2.57Å; Q176-V217 HydrophobicContact CG-CG2 4.48Å; V182-V217 HydrophobicContact CG1-CG2 3.81Å; D184-V217 HydrophobicContact CB-CG1 4.12Å; V189-V217 HydrophobicContact CG2-CG1 4.32Å; H215-V217 HydrophobicContact CB-CG2 4.22Å; V217-V219 HydrophobicContact CG1-CG2 3.97Å
218	F	92.3	Very high	81.4	Confident	64 Å²	64	51.5 Å²	51.5	28%	0.281	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.6	178.6	-52	-82.7	0	0	0	108.5	V163 M171 I172 V173 V216 F248 V250	V163-F218 HydrophobicContact CG2-CD1 4.49Å; V163-F218 HydrophobicContact CG2-CE1 3.71Å; M171-F218 HydrophobicContact CE-CD1 4.26Å; M171-F218 HydrophobicContact SD-CB 4.12Å; I172-F218 WeakPolarHBondContact O-CA 3.37Å; V173-F218 HydrophobicContact CB-CD1 4.48Å; V173-F218 HydrophobicContact CG1-CD1 4.05Å; V173-F218 HydrophobicContact CG1-CE1 3.78Å; V173-F218 HydrophobicContact CG2-CD1 4.08Å; V173-F218 HydrophobicContact CG2-CE1 4.35Å; V216-F218 HydrophobicContact CB-CE2 4.32Å; V216-F218 HydrophobicContact CB-CZ 4.27Å; V216-F218 HydrophobicContact CG1-CE1 3.89Å; V216-F218 HydrophobicContact CG1-CE2 3.76Å; V216-F218 HydrophobicContact CG1-CZ 3.3Å; F218-F248 HydrophobicContact CB-CE1 4.43Å; F218-F248 HydrophobicContact CB-CE2 4.14Å; F218-F248 HydrophobicContact CB-CZ 3.63Å; F218-F248 AromaticContact CD1-CE2 3.77Å; F218-F248 HydrophobicContact CD1-CE2 3.77Å; F218-F248 HydrophobicContact CD1-CZ 4.15Å; F218-F248 AromaticContact CD2-CE2 3.97Å; F218-F248 HydrophobicContact CD2-CE2 3.97Å; F218-F248 HydrophobicContact CD2-CZ 4.1Å; F218-F248 HydrophobicContact CE1-CE2 4.15Å; F218-F248 HydrophobicContact CE2-CE2 4.32Å; F218-F248 AromaticContact CG-CE2 3.68Å; F218-F248 HydrophobicContact CG-CE2 3.68Å; F218-F248 AromaticContact CG-CZ 3.69Å; F218-F248 HydrophobicContact CG-CZ 3.69Å; F218-F248 HydrophobicContact CZ-CE2 4.4Å; F218-V250 HydrophobicContact CE1-CG2 3.87Å; F218-V250 HydrophobicContact CE2-CG2 4.04Å; F218-V250 HydrophobicContact CZ-CB 4.33Å; F218-V250 HydrophobicContact CZ-CG1 3.9Å; F218-V250 HydrophobicContact CZ-CG2 3.46Å; F218-V250 VanDerWaalsContact CZ-CG2 3.46Å
219	V	91.3	Very high	80.4	Confident	14 Å²	14	53.6 Å²	53.6	9%	0.085	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	113.2	-178.2	-179.5	0	0	0	0	109.1	M171 I172 D186 V189 V217 K221	M171-V219 CarbonylContact C-O 3.58Å; M171-V219 WeakPolarHBondContact CA-O 3.03Å; M171-V219 VanDerWaalsContact CG-O 3.3Å; M171-V219 WeakPolarHBondContact CG-O 3.38Å; I172-V219 PolarHBondContact N-O 3Å; I172-V219 PolarHBondContact O-N 3.11Å; D186-V219 HydrophobicContact CB-CG1 4.23Å; V189-V219 HydrophobicContact CB-CG2 4.05Å; V189-V219 HydrophobicContact CG1-CB 4.46Å; V189-V219 HydrophobicContact CG1-CG2 4.39Å; V189-V219 HydrophobicContact CG2-CB 4.47Å; V189-V219 HydrophobicContact CG2-CG2 3.76Å; V217-V219 HydrophobicContact CG1-CG2 3.97Å; V219-K221 PolarHBondContact O-N 3.35Å
220	V	90.5	Very high	79.5	Confident	47 Å²	47	49.3 Å²	49.3	29%	0.285	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.3	168.9	-178.5	0	0	0	0	107.8	M171 Q244 K246	M171-V220 HydrophobicContact CG-CG2 4.44Å; V220-Q244 HydrophobicContact CG1-CB 4.23Å; V220-K246 HydrophobicContact CG2-CB 3.71Å
221	K	87.6	Confident	78.8	Confident	3 Å²	3	43.6 Å²	43.6	1%	0.013	23%	0.225	C	C	.	.			trans	-71.5	137.7	-178.2	-84.1	-131.7	48.3	131.9	0	110	E94 C170 I172 D186 V219 N223 D226 Q244	E94-K221 IonicContact OE1-NZ 3.84Å; E94-K221 PolarHBondContact OE1-NZ 2.84Å; C170-K221 HydrophobicContact CB-CB 3.93Å; C170-K221 HydrophobicContact CB-CG 4.38Å; C170-K221 WeakPolarHBondContact O-CB 3.47Å; C170-K221 PolarHBondContact O-N 2.84Å; I172-K221 HydrophobicContact CD1-CD 4.03Å; I172-K221 HydrophobicContact CD1-CG 4.03Å; I172-K221 HydrophobicContact CG1-CD 4.24Å; I172-K221 HydrophobicContact CG1-CG 3.97Å; D186-K221 WeakPolarHBondContact OD1-CE 3.33Å; D186-K221 IonicContact OD1-NZ 2.7Å; D186-K221 PolarHBondContact OD1-NZ 3.07Å; D186-K221 WeakPolarHBondContact OD2-CA 3.24Å; D186-K221 WeakPolarHBondContact OD2-CE 3.26Å; D186-K221 IonicContact OD2-NZ 3.5Å; D186-K221 PolarHBondContact OD2-NZ 3.3Å; V219-K221 PolarHBondContact O-N 3.35Å; K221-N223 VanDerWaalsContact C-N 3.31Å; K221-N223 PolarHBondContact O-N 3.49Å; K221-D226 HydrophobicContact CD-CB 3.82Å; K221-D226 WeakPolarHBondContact CE-OD2 3.49Å; K221-D226 IonicContact NZ-OD2 2.66Å; K221-D226 PolarHBondContact NZ-OD2 2.81Å; K221-Q244 PolarHBondContact O-OE1 3.11Å
222	A	81	Confident	77.8	Confident	3 Å²	3	53.8 Å²	53.8	3%	0.025	26%	0.258	C	S	.	.	S	Bend	trans	-65.6	-38.2	176.8	0	0	0	0	0	111.3	L93 F97 D186 P224	L93-A222 HydrophobicContact CB-CB 4.19Å; L93-A222 HydrophobicContact CD1-CB 4.18Å; F97-A222 HydrophobicContact CB-CB 4.12Å; F97-A222 HydrophobicContact CD2-CB 3.56Å; F97-A222 HydrophobicContact CE2-CB 4.12Å; F97-A222 HydrophobicContact CG-CB 3.88Å; D186-A222 PolarHBondContact OD2-N 3.15Å; A222-P224 WeakPolarHBondContact O-CD 3.29Å
223	N	78.5	Confident	76.4	Confident	14 Å²	14	52.8 Å²	52.8	8%	0.075	26%	0.26	C	S	.	.	S	Bend	trans	-88.8	107.7	170.4	-174.4	10.5	0	0	0	110.8	F97 K221 Y225 D226	F97-N223 HydrophobicContact CE2-CB 4.05Å; F97-N223 HydrophobicContact CZ-CB 4.06Å; K221-N223 VanDerWaalsContact C-N 3.31Å; K221-N223 PolarHBondContact O-N 3.49Å; N223-Y225 PolarHBondContact O-N 3.23Å; N223-Y225 WeakPolarHBondContact OD1-CD2 3.35Å; N223-Y225 PolarHBondContact OD1-N 3.23Å; N223-D226 PolarHBondContact ND2-OD1 3.04Å; N223-D226 PolarHBondContact O-N 2.72Å
224	P	73.6	Confident	75	Confident	33 Å²	33	52.1 Å²	52.1	21%	0.214	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-68.9	-20.5	-178.4	29.5	-33.5	0	0	0	111.7	C170 A222 D226	C170-P224 WeakPolarHBondContact CB-O 3.29Å; A222-P224 WeakPolarHBondContact O-CD 3.29Å; P224-D226 PolarHBondContact O-N 3.33Å
225	Y	73.6	Confident	73.1	Confident	110 Å²	110	54.8 Å²	54.8	43%	0.431	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-82.9	-9.1	-175.7	-53.5	-65.8	0	0	0	114	N223 C227 S228	N223-Y225 PolarHBondContact O-N 3.23Å; N223-Y225 WeakPolarHBondContact OD1-CD2 3.35Å; N223-Y225 PolarHBondContact OD1-N 3.23Å; Y225-C227 PolarHBondContact O-N 3.32Å; Y225-S228 CarbonylContact O-C 3.43Å; Y225-S228 WeakPolarHBondContact O-CA 3.11Å; Y225-S228 PolarHBondContact O-N 3.32Å; Y225-S228 PolarHBondContact O-OG 3.39Å
226	D	77.5	Confident	71.4	Confident	58 Å²	58	61.6 Å²	61.6	31%	0.31	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-60.3	-32.4	179.9	-94.3	21.3	0	0	0	112.6	K221 N223 P224 S228	K221-D226 HydrophobicContact CD-CB 3.82Å; K221-D226 WeakPolarHBondContact CE-OD2 3.49Å; K221-D226 IonicContact NZ-OD2 2.66Å; K221-D226 PolarHBondContact NZ-OD2 2.81Å; N223-D226 PolarHBondContact ND2-OD1 3.04Å; N223-D226 PolarHBondContact O-N 2.72Å; P224-D226 PolarHBondContact O-N 3.33Å; D226-S228 PolarHBondContact O-N 2.73Å
227	C	82.2	Confident	69.6	Low	3 Å²	3	66.2 Å²	66.2	2%	0.02	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-79.7	-0	174.8	-71.6	0	0	0	0	113.1	C170 T199 Y225 T690 A692	C170-C227 WeakPolarHBondContact CA-SG 3.45Å; C170-C227 HydrophobicContact CB-CB 3.56Å; C170-C227 WeakPolarHBondContact CB-SG 2.97Å; C170-C227 WeakPolarHBondContact SG-CB 3.28Å; C170-C227 PolarHBondContact SG-N 2.67Å; C170-C227 CovalentContact SG-SG 2.03Å; C170-C227 PolarHBondContact SG-SG 3.15Å; T199-C227 HydrophobicContact CG2-CB 3.63Å; Y225-C227 PolarHBondContact O-N 3.32Å; C227-T690 WeakPolarHBondContact O-CB 3.29Å; C227-T690 PolarHBondContact O-OG1 2.9Å; C227-A692 HydrophobicContact CB-CB 3.7Å
228	S	74	Confident	67.7	Low	22 Å²	22	69.3 Å²	69.3	15%	0.154	37%	0.366	C	S	.	.	S	Bend	trans	-122.3	153.8	-178.3	78.7	0	0	0	0	111.5	Y225 D226 V230 S231	Y225-S228 CarbonylContact O-C 3.43Å; Y225-S228 WeakPolarHBondContact O-CA 3.11Å; Y225-S228 PolarHBondContact O-N 3.32Å; Y225-S228 PolarHBondContact O-OG 3.39Å; D226-S228 PolarHBondContact O-N 2.73Å; S228-V230 PolarHBondContact O-N 3.33Å; S228-V230 WeakPolarHBondContact OG-CB 3.15Å; S228-V230 PolarHBondContact OG-N 3.12Å; S228-S231 WeakPolarHBondContact O-CB 3.23Å; S228-S231 PolarHBondContact O-N 3.14Å; S228-S231 PolarHBondContact O-OG 2.94Å
229	H	60.4	Low	66.1	Low	118 Å²	118	70 Å²	70	55%	0.546	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-62.9	-8.7	172	-80.1	-78.8	0	0	0	113.8	S231 R688 V689 T690	H229-S231 PolarHBondContact O-N 2.91Å; H229-R688 PolarHBondContact NE2-O 3.5Å; H229-V689 VanDerWaalsContact NE2-CA 3.31Å; H229-V689 WeakPolarHBondContact NE2-CA 3.28Å; H229-T690 PolarHBondContact NE2-N 3.23Å
230	V	55.4	Low	64.2	Low	76 Å²	76	72.4 Å²	72.4	46%	0.461	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-75.7	-3.9	176.4	-164.4	0	0	0	0	111.9	S228 R232 V233	S228-V230 PolarHBondContact O-N 3.33Å; S228-V230 WeakPolarHBondContact OG-CB 3.15Å; S228-V230 PolarHBondContact OG-N 3.12Å; V230-R232 PolarHBondContact O-N 3.13Å; V230-V233 HydrophobicContact CG1-CB 4.18Å; V230-V233 HydrophobicContact CG1-CG2 4.38Å; V230-V233 PolarHBondContact O-N 2.88Å
231	S	51.7	Low	62.4	Low	44 Å²	44	76.4 Å²	76.4	31%	0.308	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-53.9	-12.8	172.7	43	0	0	0	0	115.2	S228 H229 I234	S228-S231 WeakPolarHBondContact O-CB 3.23Å; S228-S231 PolarHBondContact O-N 3.14Å; S228-S231 PolarHBondContact O-OG 2.94Å; H229-S231 PolarHBondContact O-N 2.91Å; S231-I234 VanDerWaalsContact O-CG1 3.28Å; S231-I234 WeakPolarHBondContact O-CG1 3.33Å
232	R	46.6	Very low	61	Low	237 Å²	237	83.5 Å²	83.5	89%	0.894	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-85.7	-9.4	171	-67.2	-172.7	-179.1	172.2	1.5	115.1	V230	V230-R232 PolarHBondContact O-N 3.13Å
233	V	49	Very low	60.3	Low	108 Å²	108	90.4 Å²	90.4	66%	0.655	48%	0.482	S	S	*	.	S	Bend	trans	-107.8	69.6	176.1	-168.4	0	0	0	0	107.9	V230	V230-V233 HydrophobicContact CG1-CB 4.18Å; V230-V233 HydrophobicContact CG1-CG2 4.38Å; V230-V233 PolarHBondContact O-N 2.88Å
234	I	53	Low	60.1	Low	85 Å²	85	91.9 Å²	91.9	44%	0.436	49%	0.488	S	S	.	.			trans	-79.4	126.6	178.9	-53.9	176.5	0	0	0	107.8	S231 T236	S231-I234 VanDerWaalsContact O-CG1 3.28Å; S231-I234 WeakPolarHBondContact O-CG1 3.33Å; I234-T236 PolarHBondContact O-N 3.37Å
235	P	48	Very low	60.5	Low	62 Å²	62	95.5 Å²	95.5	40%	0.403	51%	0.51	S	S	.	.			trans	-57.8	130.9	167.9	-18.8	29.9	0	0	0	109.7	L237 V239	P235-L237 PolarHBondContact O-N 3.16Å; P235-V239 HydrophobicContact CB-CG2 4.21Å; P235-V239 HydrophobicContact CG-CG2 4.29Å
236	T	52.5	Low	61.3	Low	144 Å²	144	91.1 Å²	91.1	88%	0.883	49%	0.493	S	S	*	.	S	Bend	trans	-71.3	-10	179.6	49.7	0	0	0	0	113.3	I234	I234-T236 PolarHBondContact O-N 3.37Å
237	L	52.2	Low	61.9	Low	130 Å²	130	92.6 Å²	92.6	68%	0.681	51%	0.508	S	S	*	.	S	Bend	trans	-106.8	139	-177.4	-74.3	150.8	0	0	0	110	P235 V239	P235-L237 PolarHBondContact O-N 3.16Å; L237-V239 PolarHBondContact O-N 3.27Å; L237-V239 VanDerWaalsContact O-N 3.14Å
238	P	51.4	Low	62.4	Low	81 Å²	81	95.4 Å²	95.4	53%	0.526	52%	0.52	S	S	.	.			trans	-57.3	118.8	171.1	23.9	-31.1	0	0	0	108.7	K96 S240	K96-P238 WeakPolarHBondContact O-CA 3.36Å; K96-P238 WeakPolarHBondContact O-CB 3.45Å; P238-S240 PolarHBondContact O-N 2.99Å
239	V	57.4	Low	63.4	Low	78 Å²	78	100 Å²	100	47%	0.473	54%	0.543	S	S	.	.			trans	-87	101.8	174.4	-176.6	0	0	0	0	106.1	P235 L237	P235-V239 HydrophobicContact CB-CG2 4.21Å; P235-V239 HydrophobicContact CG-CG2 4.29Å; L237-V239 PolarHBondContact O-N 3.27Å; L237-V239 VanDerWaalsContact O-N 3.14Å
240	S	51.8	Low	64.9	Low	64 Å²	64	97.3 Å²	97.3	45%	0.448	54%	0.535	S	S	.	.			trans	-85.4	137.7	165.9	-163.9	0	0	0	0	107.9	P238	P238-S240 PolarHBondContact O-N 2.99Å
241	D	52.4	Low	66.6	Low	132 Å²	132	96.7 Å²	96.7	71%	0.706	53%	0.531	S	S	*	.			trans	85.5	56.2	160.7	-55.5	-6.7	0	0	0	119.4
242	E	59.8	Low	68.4	Low	152 Å²	152	98.6 Å²	98.6	71%	0.71	54%	0.537	S	S	*	.			trans	-121	113.5	139.4	-79.9	-174.2	166.1	0	0	108.7	Q244	E242-Q244 VanDerWaalsContact C-N 3.28Å; E242-Q244 PolarHBondContact O-N 3.44Å
243	D	66.2	Low	70.3	Confident	147 Å²	147	91.6 Å²	91.6	79%	0.786	51%	0.514	S	S	*	.			trans	-61.5	91	169.5	-78.9	-26	0	0	0	108.3	T245	D243-T245 PolarHBondContact O-N 3.42Å; D243-T245 VanDerWaalsContact O-N 3.14Å
244	Q	73.3	Confident	72.1	Confident	45 Å²	45	90.9 Å²	90.9	21%	0.21	51%	0.51	C	S	.	.			trans	-75.4	104.2	176.7	-73.3	178.4	31.6	0	0	109.4	V220 K221 E242	V220-Q244 HydrophobicContact CG1-CB 4.23Å; K221-Q244 PolarHBondContact O-OE1 3.11Å; E242-Q244 VanDerWaalsContact C-N 3.28Å; E242-Q244 PolarHBondContact O-N 3.44Å
245	T	83.1	Confident	73.6	Confident	109 Å²	109	88.2 Å²	88.2	67%	0.669	50%	0.497	S	S	*	.			trans	-111.2	120.2	175.1	57.6	0	0	0	0	109.8	D243	D243-T245 PolarHBondContact O-N 3.42Å; D243-T245 VanDerWaalsContact O-N 3.14Å
246	K	88.5	Confident	75.3	Confident	18 Å²	18	86.8 Å²	86.8	8%	0.078	49%	0.486	C	S	.	.			trans	-108.9	124	178.1	-170.3	175.1	-177.4	171.8	0	111.3	D167 D169 M171 T198 T199 V220 F248	D167-K246 HydrophobicContact CB-CG 4.03Å; D169-K246 HydrophobicContact CB-CD 4.33Å; D169-K246 WeakPolarHBondContact O-CE 3.43Å; D169-K246 PolarHBondContact O-NZ 2.74Å; M171-K246 HydrophobicContact CB-CD 3.86Å; M171-K246 VanDerWaalsContact CB-NZ 3.34Å; M171-K246 HydrophobicContact CG-CD 4.45Å; M171-K246 HydrophobicContact SD-CD 3.98Å; T198-K246 PolarHBondContact O-NZ 3.45Å; T198-K246 VanDerWaalsContact O-NZ 3.13Å; T199-K246 WeakPolarHBondContact O-CE 3.13Å; T199-K246 PolarHBondContact O-NZ 2.77Å; V220-K246 HydrophobicContact CG2-CB 3.71Å; K246-F248 HydrophobicContact CG-CD1 4.36Å; K246-F248 WeakPolarHBondContact O-CD1 3.45Å
247	S	91.6	Very high	76.6	Confident	89 Å²	89	85.7 Å²	85.7	62%	0.622	47%	0.469	S	S	*	.			trans	-95.2	125.2	173.8	-62.2	0	0	0	0	110.2	S165 D167	S165-S247 WeakPolarHBondContact CB-O 3.34Å; S165-S247 PolarHBondContact OG-O 2.92Å; D167-S247 PolarHBondContact OD2-N 2.88Å
248	F	93.1	Very high	77.9	Confident	63 Å²	63	84.2 Å²	84.2	28%	0.276	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.8	-178.4	59.2	-89.1	0	0	0	111.4	V163 E164 M171 F218 K246 V250	V163-F248 HydrophobicContact CG1-CB 4.12Å; V163-F248 HydrophobicContact CG1-CD2 3.99Å; V163-F248 HydrophobicContact CG1-CG 4.31Å; E164-F248 CarbonylContact O-C 3.47Å; E164-F248 VanDerWaalsContact O-CA 3.31Å; E164-F248 WeakPolarHBondContact O-CA 3.4Å; M171-F248 HydrophobicContact CE-CD1 4.3Å; M171-F248 HydrophobicContact CE-CG 4.28Å; M171-F248 HydrophobicContact SD-CD1 3.85Å; M171-F248 HydrophobicContact SD-CE1 3.73Å; M171-F248 HydrophobicContact SD-CG 4.41Å; M171-F248 HydrophobicContact SD-CZ 4.19Å; F218-F248 HydrophobicContact CB-CE1 4.43Å; F218-F248 HydrophobicContact CB-CE2 4.14Å; F218-F248 HydrophobicContact CB-CZ 3.63Å; F218-F248 AromaticContact CD1-CE2 3.77Å; F218-F248 HydrophobicContact CD1-CE2 3.77Å; F218-F248 HydrophobicContact CD1-CZ 4.15Å; F218-F248 AromaticContact CD2-CE2 3.97Å; F218-F248 HydrophobicContact CD2-CE2 3.97Å; F218-F248 HydrophobicContact CD2-CZ 4.1Å; F218-F248 HydrophobicContact CE1-CE2 4.15Å; F218-F248 HydrophobicContact CE2-CE2 4.32Å; F218-F248 AromaticContact CG-CE2 3.68Å; F218-F248 HydrophobicContact CG-CE2 3.68Å; F218-F248 AromaticContact CG-CZ 3.69Å; F218-F248 HydrophobicContact CG-CZ 3.69Å; F218-F248 HydrophobicContact CZ-CE2 4.4Å; K246-F248 HydrophobicContact CG-CD1 4.36Å; K246-F248 WeakPolarHBondContact O-CD1 3.45Å; F248-V250 HydrophobicContact CD2-CG2 3.67Å; F248-V250 HydrophobicContact CE2-CG2 3.66Å
249	N	93.7	Very high	79.3	Confident	119 Å²	119	86.7 Å²	86.7	64%	0.636	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	139.9	172.8	-69.7	-22.5	0	0	0	109.3	V163 E164	V163-N249 WeakPolarHBondContact CA-O 3.38Å; E164-N249 PolarHBondContact N-O 3.45Å; E164-N249 PolarHBondContact O-N 3.03Å
250	V	91.8	Very high	80.6	Confident	61 Å²	61	90 Å²	90	37%	0.37	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.3	176	-175.3	0	0	0	0	108.2	V161 R162 F218 F248	V161-V250 HydrophobicContact CG1-CG1 4.11Å; R162-V250 CarbonylContact O-C 3.25Å; R162-V250 WeakPolarHBondContact O-CA 3.4Å; F218-V250 HydrophobicContact CE1-CG2 3.87Å; F218-V250 HydrophobicContact CE2-CG2 4.04Å; F218-V250 HydrophobicContact CZ-CB 4.33Å; F218-V250 HydrophobicContact CZ-CG1 3.9Å; F218-V250 HydrophobicContact CZ-CG2 3.46Å; F218-V250 VanDerWaalsContact CZ-CG2 3.46Å; F248-V250 HydrophobicContact CD2-CG2 3.67Å; F248-V250 HydrophobicContact CE2-CG2 3.66Å
251	T	91.9	Very high	82.2	Confident	62 Å²	62	87.5 Å²	87.5	38%	0.38	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.2	172.5	59.8	0	0	0	0	109.7	R162	R162-T251 WeakPolarHBondContact CB-OG1 3.48Å; R162-T251 PolarHBondContact N-O 2.65Å; R162-T251 PolarHBondContact O-N 2.79Å
252	I	89	Confident	83.9	Confident	85 Å²	85	82.3 Å²	82.3	44%	0.436	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112.5	-179.7	-54.3	-177.6	0	0	0	106.9	L150 V159	L150-I252 HydrophobicContact CD1-CD1 3.32Å; L150-I252 HydrophobicContact CD1-CG2 4.17Å; L150-I252 HydrophobicContact CD2-CD1 3.95Å; L150-I252 HydrophobicContact CD2-CG2 4.28Å; L150-I252 HydrophobicContact CG-CD1 4.15Å; V159-I252 HydrophobicContact CB-CG2 4.18Å
253	E	87.7	Confident	85.4	Confident	90 Å²	90	78 Å²	78	42%	0.421	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.5	-176.1	-65.4	-178.9	-176.4	0	0	110.1	V159 N160	V159-E253 CarbonylContact C-O 3.54Å; V159-E253 WeakPolarHBondContact CA-O 3.38Å; N160-E253 PolarHBondContact N-O 3Å; N160-E253 PolarHBondContact O-N 2.98Å
254	T	86.8	Confident	86.6	Confident	92 Å²	92	71.8 Å²	71.8	56%	0.564	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	134.5	172.5	57.1	0	0	0	0	109.4	V156	V156-T254 HydrophobicContact CG1-CG2 3.98Å; V156-T254 HydrophobicContact CG2-CG2 3.84Å
255	L	84.4	Confident	87.5	Confident	29 Å²	29	71 Å²	71	15%	0.152	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-78.4	158.5	175.3	-80.3	150.6	0	0	0	110.9	Y158 N160 T205 K257	Y158-L255 PolarHBondContact O-N 2.8Å; N160-L255 HydrophobicContact CB-CD1 4.18Å; N160-L255 HydrophobicContact CB-CG 4.24Å; T205-L255 HydrophobicContact CG2-CD1 3.36Å; L255-K257 PolarHBondContact O-N 2.67Å
256	I	82	Confident	88.1	Confident	33 Å²	33	71.5 Å²	71.5	17%	0.169	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-62.6	128.8	-179.4	-62.5	174.6	0	0	0	110	R260 F261 K705	I256-R260 HydrophobicContact CG2-CB 3.6Å; I256-R260 HydrophobicContact CG2-CG 3.7Å; I256-F261 HydrophobicContact CG2-CB 4.26Å; I256-K705 HydrophobicContact CD1-CB 3.71Å; I256-K705 WeakPolarHBondContact CD1-O 3.31Å
257	K	81.4	Confident	88.3	Confident	121 Å²	121	75 Å²	75	53%	0.526	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-61.5	150.8	175.5	-66.7	-168.7	175.5	-165.8	0	112.1	D155 L255 D259 R260 F261	D155-K257 VanDerWaalsContact O-CE 3.23Å; D155-K257 WeakPolarHBondContact O-CE 3.26Å; D155-K257 PolarHBondContact O-NZ 3.43Å; L255-K257 PolarHBondContact O-N 2.67Å; K257-D259 VanDerWaalsContact C-N 3.33Å; K257-D259 PolarHBondContact O-N 2.65Å; K257-R260 PolarHBondContact O-N 3.33Å; K257-F261 PolarHBondContact O-N 2.89Å
258	F	78.2	Confident	88.5	Confident	98 Å²	98	71.4 Å²	71.4	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-46.8	-50.7	-179.9	-175.4	-98	0	0	0	113.8	R260 F261 G262 F409	F258-R260 PolarHBondContact O-N 3.13Å; F258-R260 VanDerWaalsContact O-N 3.12Å; F258-F261 VanDerWaalsContact CA-CE1 3.41Å; F258-F261 HydrophobicContact CB-CE1 4.08Å; F258-F261 HydrophobicContact CB-CZ 4.45Å; F258-F261 HydrophobicContact CD2-CD1 4.5Å; F258-F261 AromaticContact CD2-CE1 3.57Å; F258-F261 HydrophobicContact CD2-CE1 3.57Å; F258-F261 AromaticContact CD2-CE2 3.68Å; F258-F261 HydrophobicContact CD2-CE2 3.68Å; F258-F261 AromaticContact CD2-CZ 3.09Å; F258-F261 HydrophobicContact CD2-CZ 3.09Å; F258-F261 HydrophobicContact CE2-CE1 4.33Å; F258-F261 AromaticContact CE2-CE2 3.58Å; F258-F261 HydrophobicContact CE2-CE2 3.58Å; F258-F261 AromaticContact CE2-CZ 3.44Å; F258-F261 HydrophobicContact CE2-CZ 3.44Å; F258-F261 VanDerWaalsContact CE2-CZ 3.44Å; F258-F261 HydrophobicContact CG-CE1 4.24Å; F258-F261 HydrophobicContact CG-CZ 4.12Å; F258-F261 PolarHBondContact O-N 3.01Å; F258-G262 PolarHBondContact O-N 3.12Å; F258-F409 HydrophobicContact CD2-CD2 4.05Å; F258-F409 AromaticContact CD2-CE2 3.73Å; F258-F409 HydrophobicContact CD2-CE2 3.73Å; F258-F409 HydrophobicContact CD2-CZ 4.46Å; F258-F409 AromaticContact CE2-CD2 3.78Å; F258-F409 HydrophobicContact CE2-CD2 3.78Å; F258-F409 HydrophobicContact CE2-CE1 4.33Å; F258-F409 AromaticContact CE2-CE2 3.13Å; F258-F409 HydrophobicContact CE2-CE2 3.13Å; F258-F409 AromaticContact CE2-CZ 3.46Å; F258-F409 HydrophobicContact CE2-CZ 3.46Å; F258-F409 VanDerWaalsContact CE2-CZ 3.46Å; F258-F409 HydrophobicContact CZ-CE2 4.03Å; F258-F409 HydrophobicContact CZ-CZ 4.02Å
259	D	81	Confident	88.6	Confident	133 Å²	133	71.2 Å²	71.2	71%	0.711	38%	0.375	S	S	*	.	H	α-helix	trans	-54.1	-38.9	-177.8	-59.4	-25.3	0	0	0	113	K257 S263	K257-D259 VanDerWaalsContact C-N 3.33Å; K257-D259 PolarHBondContact O-N 2.65Å; D259-S263 PolarHBondContact O-N 2.89Å
260	R	84.8	Confident	88.7	Confident	147 Å²	147	68.5 Å²	68.5	56%	0.555	37%	0.365	S	S	*	.	H	α-helix	trans	-75.1	-46.7	-177.9	-179.4	170.3	-178.8	170.2	5.4	111.2	I256 K257 F258 G262 S263 I264	I256-R260 HydrophobicContact CG2-CB 3.6Å; I256-R260 HydrophobicContact CG2-CG 3.7Å; K257-R260 PolarHBondContact O-N 3.33Å; F258-R260 PolarHBondContact O-N 3.13Å; F258-R260 VanDerWaalsContact O-N 3.12Å; R260-G262 VanDerWaalsContact C-N 3.33Å; R260-S263 PolarHBondContact O-N 2.95Å; R260-S263 PolarHBondContact O-OG 3.42Å; R260-I264 WeakPolarHBondContact O-CG1 3.24Å; R260-I264 PolarHBondContact O-N 3.21Å
261	F	85.2	Confident	88.9	Confident	13 Å²	13	69.2 Å²	69.2	6%	0.057	37%	0.369	C	S	.	.	H	α-helix	trans	-71.9	-30.1	178.8	79.9	-112.8	0	0	0	112.3	I256 K257 F258 S263 I264 I265 F409 F706	I256-F261 HydrophobicContact CG2-CB 4.26Å; K257-F261 PolarHBondContact O-N 2.89Å; F258-F261 VanDerWaalsContact CA-CE1 3.41Å; F258-F261 HydrophobicContact CB-CE1 4.08Å; F258-F261 HydrophobicContact CB-CZ 4.45Å; F258-F261 HydrophobicContact CD2-CD1 4.5Å; F258-F261 AromaticContact CD2-CE1 3.57Å; F258-F261 HydrophobicContact CD2-CE1 3.57Å; F258-F261 AromaticContact CD2-CE2 3.68Å; F258-F261 HydrophobicContact CD2-CE2 3.68Å; F258-F261 AromaticContact CD2-CZ 3.09Å; F258-F261 HydrophobicContact CD2-CZ 3.09Å; F258-F261 HydrophobicContact CE2-CE1 4.33Å; F258-F261 AromaticContact CE2-CE2 3.58Å; F258-F261 HydrophobicContact CE2-CE2 3.58Å; F258-F261 AromaticContact CE2-CZ 3.44Å; F258-F261 HydrophobicContact CE2-CZ 3.44Å; F258-F261 VanDerWaalsContact CE2-CZ 3.44Å; F258-F261 HydrophobicContact CG-CE1 4.24Å; F258-F261 HydrophobicContact CG-CZ 4.12Å; F258-F261 PolarHBondContact O-N 3.01Å; F261-S263 VanDerWaalsContact C-N 3.27Å; F261-S263 PolarHBondContact O-N 2.97Å; F261-I264 WeakPolarHBondContact O-CA 3.24Å; F261-I264 WeakPolarHBondContact O-CB 3.48Å; F261-I264 PolarHBondContact O-N 3.01Å; F261-I265 HydrophobicContact CD2-CD1 3.75Å; F261-I265 HydrophobicContact CE2-CD1 3.97Å; F261-I265 WeakPolarHBondContact O-CG1 3.37Å; F261-I265 PolarHBondContact O-N 3.49Å; F261-F409 HydrophobicContact CE2-CB 4.49Å; F261-F409 HydrophobicContact CE2-CD1 4.44Å; F261-F409 HydrophobicContact CE2-CD2 4.26Å; F261-F409 HydrophobicContact CE2-CG 4.15Å; F261-F409 HydrophobicContact CZ-CB 4.12Å; F261-F409 AromaticContact CZ-CD2 3.71Å; F261-F409 HydrophobicContact CZ-CD2 3.71Å; F261-F409 HydrophobicContact CZ-CE2 4.33Å; F261-F409 AromaticContact CZ-CG 3.9Å; F261-F409 HydrophobicContact CZ-CG 3.9Å; F261-F706 HydrophobicContact CB-CD2 3.79Å; F261-F706 HydrophobicContact CB-CE2 3.68Å; F261-F706 HydrophobicContact CB-CZ 4.46Å; F261-F706 HydrophobicContact CD2-CE2 4.19Å; F261-F706 HydrophobicContact CD2-CZ 4.47Å; F261-F706 HydrophobicContact CG-CE2 4.07Å
262	G	88.8	Confident	89.1	Confident	23 Å²	23	66.6 Å²	66.6	24%	0.237	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-39.7	170.8	0	0	0	0	0	112.2	F258 R260 I264 I265 L266	F258-G262 PolarHBondContact O-N 3.12Å; R260-G262 VanDerWaalsContact C-N 3.33Å; G262-I264 VanDerWaalsContact C-N 3.33Å; G262-I264 PolarHBondContact O-N 3.34Å; G262-I265 PolarHBondContact O-N 2.74Å; G262-L266 PolarHBondContact O-N 3.3Å
263	S	90.8	Very high	89.4	Confident	60 Å²	60	68.3 Å²	68.3	42%	0.42	36%	0.361	S	S	.	.	H	α-helix	trans	-64.3	-35.7	172.4	79.3	0	0	0	0	112.9	D259 R260 F261 L266 V267	D259-S263 PolarHBondContact O-N 2.89Å; R260-S263 PolarHBondContact O-N 2.95Å; R260-S263 PolarHBondContact O-OG 3.42Å; F261-S263 VanDerWaalsContact C-N 3.27Å; F261-S263 PolarHBondContact O-N 2.97Å; S263-L266 PolarHBondContact O-N 3.27Å; S263-V267 VanDerWaalsContact O-CG2 3.28Å; S263-V267 WeakPolarHBondContact O-CG2 3.25Å; S263-V267 PolarHBondContact O-N 3.03Å
264	I	92.2	Very high	89.8	Confident	18 Å²	18	66.5 Å²	66.5	9%	0.092	36%	0.362	C	S	.	.	H	α-helix	trans	-67.7	-42.1	176.9	-62.3	169	0	0	0	110.7	R260 F261 G262 L266 V267 T268 A704 F706 Y707	R260-I264 WeakPolarHBondContact O-CG1 3.24Å; R260-I264 PolarHBondContact O-N 3.21Å; F261-I264 WeakPolarHBondContact O-CA 3.24Å; F261-I264 WeakPolarHBondContact O-CB 3.48Å; F261-I264 PolarHBondContact O-N 3.01Å; G262-I264 VanDerWaalsContact C-N 3.33Å; G262-I264 PolarHBondContact O-N 3.34Å; I264-L266 VanDerWaalsContact C-N 3.34Å; I264-L266 PolarHBondContact O-N 3.21Å; I264-V267 PolarHBondContact O-N 2.92Å; I264-T268 WeakPolarHBondContact O-CB 3.24Å; I264-T268 PolarHBondContact O-N 2.93Å; I264-T268 PolarHBondContact O-OG1 3.41Å; I264-A704 HydrophobicContact CD1-CB 3.61Å; I264-A704 HydrophobicContact CG1-CB 3.99Å; I264-A704 HydrophobicContact CG2-CB 4.36Å; I264-F706 HydrophobicContact CD1-CB 3.72Å; I264-F706 HydrophobicContact CD1-CG 4.26Å; I264-F706 HydrophobicContact CG2-CB 4.25Å; I264-F706 HydrophobicContact CG2-CD1 3.87Å; I264-F706 HydrophobicContact CG2-CG 4.25Å; I264-Y707 HydrophobicContact CG2-CD2 4.36Å; I264-Y707 HydrophobicContact CG2-CE2 3.7Å
265	I	92.6	Very high	90.3	Very high	28 Å²	28	63.9 Å²	63.9	14%	0.144	34%	0.344	C	S	.	.	H	α-helix	trans	-58.5	-47.6	173.6	-68.5	169	0	0	0	110	F261 G262 V267 T268 L269 F415 F419	F261-I265 HydrophobicContact CD2-CD1 3.75Å; F261-I265 HydrophobicContact CE2-CD1 3.97Å; F261-I265 WeakPolarHBondContact O-CG1 3.37Å; F261-I265 PolarHBondContact O-N 3.49Å; G262-I265 PolarHBondContact O-N 2.74Å; I265-V267 PolarHBondContact O-N 3.5Å; I265-T268 WeakPolarHBondContact O-CB 3.46Å; I265-T268 PolarHBondContact O-N 3.46Å; I265-T268 VanDerWaalsContact O-N 3.13Å; I265-L269 HydrophobicContact CG2-CD1 4.24Å; I265-L269 WeakPolarHBondContact O-CG 3.29Å; I265-L269 PolarHBondContact O-N 3.38Å; I265-F415 HydrophobicContact CD1-CE1 3.58Å; I265-F415 HydrophobicContact CD1-CZ 4.21Å; I265-F415 HydrophobicContact CG1-CE1 4.36Å; I265-F419 HydrophobicContact CB-CE1 4.46Å; I265-F419 HydrophobicContact CB-CZ 4.44Å; I265-F419 HydrophobicContact CG1-CE1 4.3Å; I265-F419 HydrophobicContact CG2-CE1 4.15Å; I265-F419 HydrophobicContact CG2-CE2 4.05Å; I265-F419 HydrophobicContact CG2-CZ 3.65Å
266	L	94.1	Very high	90.9	Very high	120 Å²	120	65.4 Å²	65.4	63%	0.628	35%	0.348	S	S	*	.	H	α-helix	trans	-62.4	-41.4	178.7	-175.2	65.2	0	0	0	112.2	G262 S263 I264 T268 L269 S270	G262-L266 PolarHBondContact O-N 3.3Å; S263-L266 PolarHBondContact O-N 3.27Å; I264-L266 VanDerWaalsContact C-N 3.34Å; I264-L266 PolarHBondContact O-N 3.21Å; L266-T268 VanDerWaalsContact C-N 3.32Å; L266-L269 PolarHBondContact O-N 3.27Å; L266-S270 WeakPolarHBondContact O-CB 3.29Å; L266-S270 PolarHBondContact O-N 2.95Å
267	V	94.2	Very high	91.5	Very high	90 Å²	90	70.5 Å²	70.5	55%	0.545	37%	0.369	S	S	.	.	H	α-helix	trans	-62.5	-40.5	173.4	169.9	0	0	0	0	111	S263 I264 I265 S270 V271	S263-V267 VanDerWaalsContact O-CG2 3.28Å; S263-V267 WeakPolarHBondContact O-CG2 3.25Å; S263-V267 PolarHBondContact O-N 3.03Å; I264-V267 PolarHBondContact O-N 2.92Å; I265-V267 PolarHBondContact O-N 3.5Å; V267-S270 PolarHBondContact O-N 2.72Å; V267-S270 PolarHBondContact O-OG 3.18Å; V267-V271 WeakPolarHBondContact O-CG2 3.26Å; V267-V271 PolarHBondContact O-N 2.84Å; V267-V271 VanDerWaalsContact O-N 3.13Å
268	T	94.1	Very high	92.2	Very high	15 Å²	15	69.2 Å²	69.2	9%	0.092	37%	0.371	C	S	.	.	H	α-helix	trans	-63.9	-44.4	177.9	-52.5	0	0	0	0	111	I264 I265 L266 V271 Y272 F419 Y707 F715	I264-T268 WeakPolarHBondContact O-CB 3.24Å; I264-T268 PolarHBondContact O-N 2.93Å; I264-T268 PolarHBondContact O-OG1 3.41Å; I265-T268 WeakPolarHBondContact O-CB 3.46Å; I265-T268 PolarHBondContact O-N 3.46Å; I265-T268 VanDerWaalsContact O-N 3.13Å; L266-T268 VanDerWaalsContact C-N 3.32Å; T268-V271 WeakPolarHBondContact O-CB 3.29Å; T268-V271 PolarHBondContact O-N 2.84Å; T268-Y272 HydrophobicContact CG2-CE2 4.08Å; T268-Y272 VanDerWaalsContact O-CD2 3.25Å; T268-Y272 WeakPolarHBondContact O-CD2 3.28Å; T268-Y272 PolarHBondContact O-N 2.79Å; T268-F419 HydrophobicContact CG2-CE1 3.99Å; T268-Y707 WeakPolarHBondContact OG1-CE2 3.3Å; T268-Y707 PolarHBondContact OG1-OH 2.84Å; T268-F715 HydrophobicContact CG2-CE1 3.97Å; T268-F715 HydrophobicContact CG2-CE2 4.48Å; T268-F715 HydrophobicContact CG2-CZ 3.75Å
269	L	95.7	Very high	93	Very high	59 Å²	59	65.5 Å²	65.5	31%	0.309	36%	0.357	S	S	.	.	H	α-helix	trans	-65.5	-37.2	176	-67.5	175.5	0	0	0	112.3	I265 L266 V271 Y272 I273 F419 L426	I265-L269 HydrophobicContact CG2-CD1 4.24Å; I265-L269 WeakPolarHBondContact O-CG 3.29Å; I265-L269 PolarHBondContact O-N 3.38Å; L266-L269 PolarHBondContact O-N 3.27Å; L269-V271 VanDerWaalsContact C-N 3.29Å; L269-V271 PolarHBondContact O-N 3.2Å; L269-Y272 PolarHBondContact O-N 3.25Å; L269-Y272 VanDerWaalsContact O-N 3.16Å; L269-I273 WeakPolarHBondContact O-CG1 3.41Å; L269-I273 PolarHBondContact O-N 3.41Å; L269-F419 HydrophobicContact CD2-CZ 4.07Å; L269-F419 HydrophobicContact CG-CZ 4.17Å; L269-L426 HydrophobicContact CD2-CD1 4.14Å
270	S	95.8	Very high	93.6	Very high	61 Å²	61	64.6 Å²	64.6	43%	0.427	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-31.8	178	77.3	0	0	0	0	112.6	L266 V267 I273 A274	L266-S270 WeakPolarHBondContact O-CB 3.29Å; L266-S270 PolarHBondContact O-N 2.95Å; V267-S270 PolarHBondContact O-N 2.72Å; V267-S270 PolarHBondContact O-OG 3.18Å; S270-I273 PolarHBondContact O-N 3.48Å; S270-A274 WeakPolarHBondContact O-CB 3.28Å; S270-A274 PolarHBondContact O-N 3.4Å
271	V	95.7	Very high	94	Very high	76 Å²	76	60.1 Å²	60.1	46%	0.461	34%	0.335	S	S	.	.	H	α-helix	trans	-60.8	-44.7	170.7	172.1	0	0	0	0	111	V267 T268 L269 A274 I275	V267-V271 WeakPolarHBondContact O-CG2 3.26Å; V267-V271 PolarHBondContact O-N 2.84Å; V267-V271 VanDerWaalsContact O-N 3.13Å; T268-V271 WeakPolarHBondContact O-CB 3.29Å; T268-V271 PolarHBondContact O-N 2.84Å; L269-V271 VanDerWaalsContact C-N 3.29Å; L269-V271 PolarHBondContact O-N 3.2Å; V271-A274 WeakPolarHBondContact O-CB 3.34Å; V271-A274 PolarHBondContact O-N 2.92Å; V271-I275 HydrophobicContact CG1-CD1 4.23Å; V271-I275 WeakPolarHBondContact O-CG1 3.42Å; V271-I275 PolarHBondContact O-N 2.97Å
272	Y	96.3	Very high	94.4	Very high	7 Å²	7	61.9 Å²	61.9	3%	0.027	34%	0.343	C	S	.	.	H	α-helix	trans	-66.1	-39.1	176	-71.1	-69.8	0	0	0	112.6	T268 L269 A274 I275 Y276 V422 G423 L426 L427 F715	T268-Y272 HydrophobicContact CG2-CE2 4.08Å; T268-Y272 VanDerWaalsContact O-CD2 3.25Å; T268-Y272 WeakPolarHBondContact O-CD2 3.28Å; T268-Y272 PolarHBondContact O-N 2.79Å; L269-Y272 PolarHBondContact O-N 3.25Å; L269-Y272 VanDerWaalsContact O-N 3.16Å; Y272-A274 VanDerWaalsContact C-N 3.28Å; Y272-A274 PolarHBondContact O-N 3.5Å; Y272-I275 HydrophobicContact CD1-CD1 4.14Å; Y272-I275 HydrophobicContact CE1-CD1 4.49Å; Y272-I275 WeakPolarHBondContact O-CB 3.36Å; Y272-I275 PolarHBondContact O-N 3.28Å; Y272-I275 VanDerWaalsContact O-N 3.15Å; Y272-Y276 VanDerWaalsContact O-CD2 3.23Å; Y272-Y276 WeakPolarHBondContact O-CD2 3.5Å; Y272-Y276 PolarHBondContact O-N 2.82Å; Y272-V422 HydrophobicContact CE2-CG1 4.13Å; Y272-G423 WeakPolarHBondContact OH-CA 3.26Å; Y272-L426 HydrophobicContact CD1-CB 4.5Å; Y272-L426 HydrophobicContact CD1-CD1 4.36Å; Y272-L426 HydrophobicContact CD2-CD1 3.7Å; Y272-L426 HydrophobicContact CE2-CD1 4.44Å; Y272-L426 HydrophobicContact CG-CD1 3.66Å; Y272-L427 HydrophobicContact CD1-CD2 4.36Å; Y272-L427 HydrophobicContact CD1-CG 4.31Å; Y272-L427 HydrophobicContact CE1-CD1 4.21Å; Y272-L427 HydrophobicContact CE1-CG 4.21Å; Y272-F715 WeakPolarHBondContact OH-CD1 3.35Å
273	I	96	Very high	94.5	Very high	121 Å²	121	62.2 Å²	62.2	62%	0.621	34%	0.337	S	S	*	.	H	α-helix	trans	-60.3	-41.3	173.5	-65.9	168.2	0	0	0	110.6	L269 S270 Y276 F277	L269-I273 WeakPolarHBondContact O-CG1 3.41Å; L269-I273 PolarHBondContact O-N 3.41Å; S270-I273 PolarHBondContact O-N 3.48Å; I273-Y276 WeakPolarHBondContact O-CB 3.43Å; I273-Y276 PolarHBondContact O-N 3.25Å; I273-F277 PolarHBondContact O-N 3.01Å
274	A	96.7	Very high	94.4	Very high	52 Å²	52	62.9 Å²	62.9	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-41.1	174.8	0	0	0	0	0	111.8	S270 V271 Y272 Y276 F277 V278	S270-A274 WeakPolarHBondContact O-CB 3.28Å; S270-A274 PolarHBondContact O-N 3.4Å; V271-A274 WeakPolarHBondContact O-CB 3.34Å; V271-A274 PolarHBondContact O-N 2.92Å; Y272-A274 VanDerWaalsContact C-N 3.28Å; Y272-A274 PolarHBondContact O-N 3.5Å; A274-Y276 PolarHBondContact O-N 2.95Å; A274-F277 PolarHBondContact O-N 3.12Å; A274-V278 VanDerWaalsContact O-CG2 3.32Å; A274-V278 WeakPolarHBondContact O-CG2 3.4Å; A274-V278 PolarHBondContact O-N 3.37Å
275	I	96.1	Very high	94.4	Very high	38 Å²	38	66.9 Å²	66.9	20%	0.195	36%	0.356	C	S	.	.	H	α-helix	trans	-59.8	-45.8	173.8	-67.7	166.9	0	0	0	110.6	V271 Y272 F277 V278 V279 L427 L430 I719	V271-I275 HydrophobicContact CG1-CD1 4.23Å; V271-I275 WeakPolarHBondContact O-CG1 3.42Å; V271-I275 PolarHBondContact O-N 2.97Å; Y272-I275 HydrophobicContact CD1-CD1 4.14Å; Y272-I275 HydrophobicContact CE1-CD1 4.49Å; Y272-I275 WeakPolarHBondContact O-CB 3.36Å; Y272-I275 PolarHBondContact O-N 3.28Å; Y272-I275 VanDerWaalsContact O-N 3.15Å; I275-F277 VanDerWaalsContact C-N 3.31Å; I275-F277 PolarHBondContact O-N 3.49Å; I275-V278 PolarHBondContact O-N 3.06Å; I275-V279 HydrophobicContact CG2-CG2 4.09Å; I275-V279 WeakPolarHBondContact O-CB 3.47Å; I275-V279 VanDerWaalsContact O-CG2 3.25Å; I275-V279 WeakPolarHBondContact O-CG2 3.37Å; I275-V279 PolarHBondContact O-N 3.32Å; I275-L427 HydrophobicContact CG2-CD2 3.94Å; I275-L430 HydrophobicContact CG2-CD2 4.45Å; I275-I719 HydrophobicContact CD1-CD1 4.16Å; I275-I719 HydrophobicContact CD1-CG1 4.35Å
276	Y	96.6	Very high	94.1	Very high	60 Å²	60	67.3 Å²	67.3	24%	0.235	36%	0.357	C	S	.	.	H	α-helix	trans	-56.2	-45.9	175.5	-90.1	-122.6	0	0	0	111.6	Y272 I273 A274 F280 L426 L430 I433	Y272-Y276 VanDerWaalsContact O-CD2 3.23Å; Y272-Y276 WeakPolarHBondContact O-CD2 3.5Å; Y272-Y276 PolarHBondContact O-N 2.82Å; I273-Y276 WeakPolarHBondContact O-CB 3.43Å; I273-Y276 PolarHBondContact O-N 3.25Å; A274-Y276 PolarHBondContact O-N 2.95Å; Y276-F280 VanDerWaalsContact O-CB 3.26Å; Y276-F280 WeakPolarHBondContact O-CB 3.16Å; Y276-F280 PolarHBondContact O-N 2.7Å; Y276-L426 HydrophobicContact CE2-CB 4.38Å; Y276-L426 PolarHBondContact OH-O 3.3Å; Y276-L430 HydrophobicContact CD1-CD1 3.8Å; Y276-L430 HydrophobicContact CD2-CB 4.34Å; Y276-L430 HydrophobicContact CD2-CD1 4.34Å; Y276-L430 HydrophobicContact CD2-CD2 3.81Å; Y276-L430 HydrophobicContact CD2-CG 4.39Å; Y276-L430 HydrophobicContact CE1-CB 4.08Å; Y276-L430 HydrophobicContact CE1-CD1 3.96Å; Y276-L430 HydrophobicContact CE2-CB 3.77Å; Y276-L430 HydrophobicContact CE2-CD2 4.04Å; Y276-L430 HydrophobicContact CE2-CG 4.32Å; Y276-L430 HydrophobicContact CG-CD1 4.02Å; Y276-L430 HydrophobicContact CG-CD2 4.21Å; Y276-L430 PolarHBondContact OH-N 2.78Å; Y276-I433 HydrophobicContact CE1-CD1 4.47Å
277	F	96.3	Very high	93.6	Very high	140 Å²	140	66.5 Å²	66.5	61%	0.614	35%	0.347	S	S	*	.	H	α-helix	trans	-63.8	-47.5	177.8	-179	-98.6	0	0	0	112	I273 A274 I275 V279 F280 V281	I273-F277 PolarHBondContact O-N 3.01Å; A274-F277 PolarHBondContact O-N 3.12Å; I275-F277 VanDerWaalsContact C-N 3.31Å; I275-F277 PolarHBondContact O-N 3.49Å; F277-V279 PolarHBondContact O-N 2.75Å; F277-F280 PolarHBondContact O-N 2.88Å; F277-V281 HydrophobicContact CD1-CG2 4.21Å; F277-V281 HydrophobicContact CD2-CG2 4.47Å; F277-V281 HydrophobicContact CE1-CG2 3.8Å; F277-V281 HydrophobicContact CE2-CG2 4.09Å; F277-V281 HydrophobicContact CZ-CG2 3.74Å; F277-V281 WeakPolarHBondContact O-CG2 3.24Å; F277-V281 PolarHBondContact O-N 3.46Å
278	V	95.6	Very high	93.2	Very high	94 Å²	94	65.2 Å²	65.2	57%	0.57	34%	0.341	S	S	*	.	H	α-helix	trans	-60.6	-45.1	178.2	170	0	0	0	0	111	A274 I275 V281 F282	A274-V278 VanDerWaalsContact O-CG2 3.32Å; A274-V278 WeakPolarHBondContact O-CG2 3.4Å; A274-V278 PolarHBondContact O-N 3.37Å; I275-V278 PolarHBondContact O-N 3.06Å; V278-V281 PolarHBondContact O-N 3.42Å; V278-F282 WeakPolarHBondContact O-CB 3.31Å; V278-F282 PolarHBondContact O-N 2.9Å
279	V	94.7	Very high	92.8	Very high	20 Å²	20	71.6 Å²	71.6	12%	0.121	36%	0.363	C	S	.	.	H	α-helix	trans	-64	-42.6	177.7	168.9	0	0	0	0	110.9	I275 F277 F282 W283 L430 L434 F722	I275-V279 HydrophobicContact CG2-CG2 4.09Å; I275-V279 WeakPolarHBondContact O-CB 3.47Å; I275-V279 VanDerWaalsContact O-CG2 3.25Å; I275-V279 WeakPolarHBondContact O-CG2 3.37Å; I275-V279 PolarHBondContact O-N 3.32Å; F277-V279 PolarHBondContact O-N 2.75Å; V279-F282 PolarHBondContact O-N 2.86Å; V279-W283 VanDerWaalsContact O-CB 3.25Å; V279-W283 WeakPolarHBondContact O-CB 3.41Å; V279-W283 PolarHBondContact O-N 3.29Å; V279-L430 HydrophobicContact CB-CD2 4.2Å; V279-L430 HydrophobicContact CG1-CD1 4.34Å; V279-L430 HydrophobicContact CG1-CD2 4.15Å; V279-L430 HydrophobicContact CG1-CG 4.45Å; V279-L430 HydrophobicContact CG2-CD2 4.14Å; V279-L434 HydrophobicContact CG1-CD1 3.78Å; V279-L434 HydrophobicContact CG1-CD2 4.36Å; V279-F722 HydrophobicContact CG1-CZ 4.19Å; V279-F722 HydrophobicContact CG2-CE1 3.91Å; V279-F722 HydrophobicContact CG2-CZ 4.16Å
280	F	93.3	Very high	92	Very high	115 Å²	115	70.9 Å²	70.9	50%	0.504	36%	0.36	S	S	.	.	H	α-helix	trans	-62.5	-47	176.4	178.9	-104.4	0	0	0	111.9	Y276 F277 W283 L284	Y276-F280 VanDerWaalsContact O-CB 3.26Å; Y276-F280 WeakPolarHBondContact O-CB 3.16Å; Y276-F280 PolarHBondContact O-N 2.7Å; F277-F280 PolarHBondContact O-N 2.88Å; F280-W283 PolarHBondContact O-N 3.38Å; F280-L284 HydrophobicContact CD1-CD1 3.79Å; F280-L284 HydrophobicContact CD1-CG 4.32Å; F280-L284 HydrophobicContact CE1-CD1 3.23Å; F280-L284 HydrophobicContact CE1-CG 4.01Å; F280-L284 HydrophobicContact CE2-CD1 4.28Å; F280-L284 HydrophobicContact CE2-CD2 4.44Å; F280-L284 HydrophobicContact CE2-CG 4.25Å; F280-L284 HydrophobicContact CZ-CD1 3.52Å; F280-L284 HydrophobicContact CZ-CD2 4.23Å; F280-L284 HydrophobicContact CZ-CG 3.96Å; F280-L284 WeakPolarHBondContact O-CB 3.29Å; F280-L284 WeakPolarHBondContact O-CG 3.42Å; F280-L284 PolarHBondContact O-N 3.15Å
281	V	94	Very high	91.3	Very high	52 Å²	52	71.4 Å²	71.4	32%	0.315	36%	0.356	S	S	.	.	H	α-helix	trans	-62.5	-45.4	176.2	171.2	0	0	0	0	111	F277 V278 W283 L284 I285	F277-V281 HydrophobicContact CD1-CG2 4.21Å; F277-V281 HydrophobicContact CD2-CG2 4.47Å; F277-V281 HydrophobicContact CE1-CG2 3.8Å; F277-V281 HydrophobicContact CE2-CG2 4.09Å; F277-V281 HydrophobicContact CZ-CG2 3.74Å; F277-V281 WeakPolarHBondContact O-CG2 3.24Å; F277-V281 PolarHBondContact O-N 3.46Å; V278-V281 PolarHBondContact O-N 3.42Å; V281-W283 VanDerWaalsContact C-N 3.32Å; V281-W283 PolarHBondContact O-N 3.35Å; V281-L284 PolarHBondContact O-N 3.02Å; V281-I285 HydrophobicContact CG1-CD1 3.66Å; V281-I285 HydrophobicContact CG1-CG1 4.29Å; V281-I285 WeakPolarHBondContact O-CB 3.35Å; V281-I285 VanDerWaalsContact O-CG1 3.24Å; V281-I285 WeakPolarHBondContact O-CG1 3.37Å; V281-I285 PolarHBondContact O-N 2.96Å
282	F	92.8	Very high	90.6	Very high	50 Å²	50	77.9 Å²	77.9	22%	0.219	37%	0.372	C	S	.	.	H	α-helix	trans	-55.6	-49.5	174.2	177.9	-86.6	0	0	0	110.5	V278 V279 L284 I285 F286 V664 I665	V278-F282 WeakPolarHBondContact O-CB 3.31Å; V278-F282 PolarHBondContact O-N 2.9Å; V279-F282 PolarHBondContact O-N 2.86Å; F282-L284 PolarHBondContact O-N 3.24Å; F282-I285 PolarHBondContact O-N 3.31Å; F282-F286 AromaticContact CD1-CD2 3.76Å; F282-F286 HydrophobicContact CD1-CD2 3.76Å; F282-F286 HydrophobicContact CD1-CE2 4.23Å; F282-F286 AromaticContact CD2-CD2 3.92Å; F282-F286 HydrophobicContact CD2-CD2 3.92Å; F282-F286 AromaticContact CD2-CE2 3.65Å; F282-F286 HydrophobicContact CD2-CE2 3.65Å; F282-F286 AromaticContact CE1-CD2 3.55Å; F282-F286 HydrophobicContact CE1-CD2 3.55Å; F282-F286 AromaticContact CE1-CE2 3.81Å; F282-F286 HydrophobicContact CE1-CE2 3.81Å; F282-F286 AromaticContact CE2-CD2 3.77Å; F282-F286 HydrophobicContact CE2-CD2 3.77Å; F282-F286 AromaticContact CE2-CE2 3.21Å; F282-F286 HydrophobicContact CE2-CE2 3.21Å; F282-F286 HydrophobicContact CE2-CZ 4.23Å; F282-F286 AromaticContact CG-CD2 3.93Å; F282-F286 HydrophobicContact CG-CD2 3.93Å; F282-F286 HydrophobicContact CG-CE2 4.15Å; F282-F286 AromaticContact CZ-CD2 3.55Å; F282-F286 HydrophobicContact CZ-CD2 3.55Å; F282-F286 AromaticContact CZ-CE2 3.27Å; F282-F286 HydrophobicContact CZ-CE2 3.27Å; F282-F286 HydrophobicContact CZ-CZ 4.23Å; F282-F286 WeakPolarHBondContact O-CB 3.37Å; F282-F286 VanDerWaalsContact O-CD2 3.24Å; F282-F286 WeakPolarHBondContact O-CD2 3.38Å; F282-F286 PolarHBondContact O-N 3.46Å; F282-V664 HydrophobicContact CE2-CG1 4.03Å; F282-I665 HydrophobicContact CE1-CD1 3.98Å; F282-I665 HydrophobicContact CE1-CG1 4.24Å; F282-I665 HydrophobicContact CZ-CD1 4.02Å; F282-I665 HydrophobicContact CZ-CG1 3.87Å
283	W	89.8	Confident	89.5	Confident	30 Å²	30	85 Å²	85	11%	0.114	40%	0.398	C	S	.	.	H	α-helix	trans	-61.8	-43.3	179.5	-159.9	-94.1	0	0	0	112.4	V279 F280 V281 F286 Y287 L434 R438 L729 V730	V279-W283 VanDerWaalsContact O-CB 3.25Å; V279-W283 WeakPolarHBondContact O-CB 3.41Å; V279-W283 PolarHBondContact O-N 3.29Å; F280-W283 PolarHBondContact O-N 3.38Å; V281-W283 VanDerWaalsContact C-N 3.32Å; V281-W283 PolarHBondContact O-N 3.35Å; W283-F286 PolarHBondContact O-N 3.01Å; W283-Y287 VanDerWaalsContact O-CB 3.25Å; W283-Y287 WeakPolarHBondContact O-CB 3.45Å; W283-Y287 PolarHBondContact O-N 2.89Å; W283-L434 HydrophobicContact CD2-CD2 3.86Å; W283-L434 HydrophobicContact CE3-CD2 4.04Å; W283-L434 HydrophobicContact CG-CD2 4.09Å; W283-R438 HydrophobicContact CH2-CG 4.1Å; W283-R438 VanDerWaalsContact CH2-NE 3.32Å; W283-R438 HydrophobicContact CZ2-CG 3.55Å; W283-R438 VanDerWaalsContact CZ2-NE 3.28Å; W283-L729 HydrophobicContact CH2-CD2 4.05Å; W283-V730 HydrophobicContact CH2-CG1 4.27Å; W283-V730 HydrophobicContact CZ3-CG1 4.23Å
284	L	90.6	Very high	88.5	Confident	74 Å²	74	81.6 Å²	81.6	39%	0.387	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-45.5	176.7	-77.1	-177	0	0	0	113.1	F280 V281 F282 F286 Y287 C288	F280-L284 HydrophobicContact CD1-CD1 3.79Å; F280-L284 HydrophobicContact CD1-CG 4.32Å; F280-L284 HydrophobicContact CE1-CD1 3.23Å; F280-L284 HydrophobicContact CE1-CG 4.01Å; F280-L284 HydrophobicContact CE2-CD1 4.28Å; F280-L284 HydrophobicContact CE2-CD2 4.44Å; F280-L284 HydrophobicContact CE2-CG 4.25Å; F280-L284 HydrophobicContact CZ-CD1 3.52Å; F280-L284 HydrophobicContact CZ-CD2 4.23Å; F280-L284 HydrophobicContact CZ-CG 3.96Å; F280-L284 WeakPolarHBondContact O-CB 3.29Å; F280-L284 WeakPolarHBondContact O-CG 3.42Å; F280-L284 PolarHBondContact O-N 3.15Å; V281-L284 PolarHBondContact O-N 3.02Å; F282-L284 PolarHBondContact O-N 3.24Å; L284-F286 PolarHBondContact O-N 3.45Å; L284-Y287 PolarHBondContact O-N 3.36Å; L284-C288 WeakPolarHBondContact O-CB 3.39Å; L284-C288 PolarHBondContact O-N 3.13Å; L284-C288 PolarHBondContact O-SG 2.84Å; L284-C288 VanDerWaalsContact O-SG 3.37Å
285	I	90.3	Very high	87.5	Confident	103 Å²	103	79.4 Å²	79.4	53%	0.528	36%	0.362	S	S	.	.	H	α-helix	trans	-57.7	-45.8	177.7	-72.3	167.3	0	0	0	109.5	V281 F282 R289	V281-I285 HydrophobicContact CG1-CD1 3.66Å; V281-I285 HydrophobicContact CG1-CG1 4.29Å; V281-I285 WeakPolarHBondContact O-CB 3.35Å; V281-I285 VanDerWaalsContact O-CG1 3.24Å; V281-I285 WeakPolarHBondContact O-CG1 3.37Å; V281-I285 PolarHBondContact O-N 2.96Å; F282-I285 PolarHBondContact O-N 3.31Å; I285-R289 WeakPolarHBondContact O-CB 3.4Å; I285-R289 PolarHBondContact O-N 3.13Å
286	F	86.7	Confident	86.5	Confident	37 Å²	37	85.9 Å²	85.9	16%	0.162	38%	0.384	C	S	.	.	H	α-helix	trans	-71.1	-42	-179.3	-88.6	-56.2	0	0	0	112.2	F282 W283 L284 C288 R289 D290 R661	F282-F286 AromaticContact CD1-CD2 3.76Å; F282-F286 HydrophobicContact CD1-CD2 3.76Å; F282-F286 HydrophobicContact CD1-CE2 4.23Å; F282-F286 AromaticContact CD2-CD2 3.92Å; F282-F286 HydrophobicContact CD2-CD2 3.92Å; F282-F286 AromaticContact CD2-CE2 3.65Å; F282-F286 HydrophobicContact CD2-CE2 3.65Å; F282-F286 AromaticContact CE1-CD2 3.55Å; F282-F286 HydrophobicContact CE1-CD2 3.55Å; F282-F286 AromaticContact CE1-CE2 3.81Å; F282-F286 HydrophobicContact CE1-CE2 3.81Å; F282-F286 AromaticContact CE2-CD2 3.77Å; F282-F286 HydrophobicContact CE2-CD2 3.77Å; F282-F286 AromaticContact CE2-CE2 3.21Å; F282-F286 HydrophobicContact CE2-CE2 3.21Å; F282-F286 HydrophobicContact CE2-CZ 4.23Å; F282-F286 AromaticContact CG-CD2 3.93Å; F282-F286 HydrophobicContact CG-CD2 3.93Å; F282-F286 HydrophobicContact CG-CE2 4.15Å; F282-F286 AromaticContact CZ-CD2 3.55Å; F282-F286 HydrophobicContact CZ-CD2 3.55Å; F282-F286 AromaticContact CZ-CE2 3.27Å; F282-F286 HydrophobicContact CZ-CE2 3.27Å; F282-F286 HydrophobicContact CZ-CZ 4.23Å; F282-F286 WeakPolarHBondContact O-CB 3.37Å; F282-F286 VanDerWaalsContact O-CD2 3.24Å; F282-F286 WeakPolarHBondContact O-CD2 3.38Å; F282-F286 PolarHBondContact O-N 3.46Å; W283-F286 PolarHBondContact O-N 3.01Å; L284-F286 PolarHBondContact O-N 3.45Å; F286-C288 PolarHBondContact O-N 2.85Å; F286-R289 PolarHBondContact O-N 3.35Å; F286-R289 VanDerWaalsContact O-N 3.13Å; F286-D290 PolarHBondContact O-N 3.22Å; F286-R661 VanDerWaalsContact CB-NH2 3.27Å; F286-R661 HydrophobicContact CD1-CG 3.37Å; F286-R661 HydrophobicContact CD2-CG 3.96Å; F286-R661 HydrophobicContact CE1-CG 3.31Å; F286-R661 HydrophobicContact CE2-CG 3.99Å; F286-R661 HydrophobicContact CG-CG 3.68Å; F286-R661 VanDerWaalsContact CG-NE 3.26Å; F286-R661 HydrophobicContact CZ-CG 3.65Å; F286-R661 PolarHBondContact O-NH2 3.14Å
287	Y	84.3	Confident	85.7	Confident	102 Å²	102	85.8 Å²	85.8	40%	0.4	39%	0.389	S	S	.	.	H	α-helix	trans	-54.8	-51.4	172	179.7	-95.4	0	0	0	111.5	W283 L284 R289 D290 E291	W283-Y287 VanDerWaalsContact O-CB 3.25Å; W283-Y287 WeakPolarHBondContact O-CB 3.45Å; W283-Y287 PolarHBondContact O-N 2.89Å; L284-Y287 PolarHBondContact O-N 3.36Å; Y287-R289 VanDerWaalsContact C-N 3.28Å; Y287-R289 PolarHBondContact O-N 3.21Å; Y287-D290 PolarHBondContact O-N 3.02Å; Y287-E291 HydrophobicContact CD1-CG 4.47Å; Y287-E291 HydrophobicContact CE1-CG 4Å; Y287-E291 HydrophobicContact CE2-CG 4.44Å; Y287-E291 PolarHBondContact O-N 3.11Å
288	C	86.3	Confident	84.8	Confident	63 Å²	63	81.5 Å²	81.5	43%	0.426	37%	0.369	S	S	.	.	H	α-helix	trans	-58.7	-38.4	175.9	-73.8	0	0	0	0	112.9	L284 F286 R292	L284-C288 WeakPolarHBondContact O-CB 3.39Å; L284-C288 PolarHBondContact O-N 3.13Å; L284-C288 PolarHBondContact O-SG 2.84Å; L284-C288 VanDerWaalsContact O-SG 3.37Å; F286-C288 PolarHBondContact O-N 2.85Å; C288-R292 WeakPolarHBondContact O-CB 3.45Å; C288-R292 VanDerWaalsContact O-CG 3.27Å; C288-R292 WeakPolarHBondContact O-CG 3.45Å; C288-R292 PolarHBondContact O-N 3.03Å; C288-R292 VanDerWaalsContact O-N 3.13Å
289	R	86	Confident	84	Confident	149 Å²	149	84.7 Å²	84.7	56%	0.562	37%	0.371	S	S	*	.	H	α-helix	trans	-68	-41.1	178.3	-175.2	179	173.1	99	-0.1	111.9	I285 F286 Y287 R293	I285-R289 WeakPolarHBondContact O-CB 3.4Å; I285-R289 PolarHBondContact O-N 3.13Å; F286-R289 PolarHBondContact O-N 3.35Å; F286-R289 VanDerWaalsContact O-N 3.13Å; Y287-R289 VanDerWaalsContact C-N 3.28Å; Y287-R289 PolarHBondContact O-N 3.21Å; R289-R293 VanDerWaalsContact O-CB 3.31Å; R289-R293 WeakPolarHBondContact O-CB 3.41Å; R289-R293 PolarHBondContact O-N 2.82Å
290	D	79.1	Confident	83.3	Confident	44 Å²	44	88.3 Å²	88.3	24%	0.235	39%	0.389	C	S	.	.	H	α-helix	trans	-69.3	-44.2	177.8	-81.2	0.2	0	0	0	111.8	F286 Y287 R292 R293 F294 G295 R661	F286-D290 PolarHBondContact O-N 3.22Å; Y287-D290 PolarHBondContact O-N 3.02Å; D290-R292 VanDerWaalsContact C-N 3.26Å; D290-R292 PolarHBondContact O-N 3.23Å; D290-R293 PolarHBondContact O-N 3.1Å; D290-R293 VanDerWaalsContact O-N 3.15Å; D290-F294 HydrophobicContact CB-CD2 4.3Å; D290-F294 WeakPolarHBondContact O-CA 3.47Å; D290-F294 WeakPolarHBondContact O-CB 3.46Å; D290-F294 PolarHBondContact O-N 2.74Å; D290-G295 PolarHBondContact O-N 3.16Å; D290-R661 VanDerWaalsContact CG-CZ 3.45Å; D290-R661 IonicContact OD1-CZ 3.17Å; D290-R661 IonicContact OD1-NH1 2.65Å; D290-R661 IonicContact OD1-NH2 2.69Å; D290-R661 PolarHBondContact OD1-NH2 2.86Å; D290-R661 IonicContact OD2-CZ 3.35Å; D290-R661 IonicContact OD2-NH1 3.06Å; D290-R661 PolarHBondContact OD2-NH1 3.28Å; D290-R661 IonicContact OD2-NH2 2.81Å; D290-R661 PolarHBondContact OD2-NH2 2.84Å
291	E	79.7	Confident	82.7	Confident	73 Å²	73	84.3 Å²	84.3	34%	0.341	37%	0.373	S	S	.	.	H	α-helix	trans	-57.6	-42.1	175.6	-84.3	-60	142.9	0	0	111.4	Y287 G295	Y287-E291 HydrophobicContact CD1-CG 4.47Å; Y287-E291 HydrophobicContact CE1-CG 4Å; Y287-E291 HydrophobicContact CE2-CG 4.44Å; Y287-E291 PolarHBondContact O-N 3.11Å; E291-G295 WeakPolarHBondContact O-CA 3.44Å; E291-G295 PolarHBondContact O-N 3.28Å
292	R	81.2	Confident	81.9	Confident	212 Å²	212	82.9 Å²	82.9	80%	0.8	36%	0.364	S	S	*	.	H	α-helix	trans	-67	-40.9	175.7	-73.4	178.2	-171.2	-178	4.4	113.2	C288 D290	C288-R292 WeakPolarHBondContact O-CB 3.45Å; C288-R292 VanDerWaalsContact O-CG 3.27Å; C288-R292 WeakPolarHBondContact O-CG 3.45Å; C288-R292 PolarHBondContact O-N 3.03Å; C288-R292 VanDerWaalsContact O-N 3.13Å; D290-R292 VanDerWaalsContact C-N 3.26Å; D290-R292 PolarHBondContact O-N 3.23Å
293	R	74.2	Confident	81.3	Confident	155 Å²	155	84.4 Å²	84.4	59%	0.585	38%	0.377	S	S	*	.	H	α-helix	trans	-84.4	-45.7	-172.1	-168.8	177.8	-169.5	-172.4	2.6	112.7	R289 D290	R289-R293 VanDerWaalsContact O-CB 3.31Å; R289-R293 WeakPolarHBondContact O-CB 3.41Å; R289-R293 PolarHBondContact O-N 2.82Å; D290-R293 PolarHBondContact O-N 3.1Å; D290-R293 VanDerWaalsContact O-N 3.15Å
294	F	74.3	Confident	80.7	Confident	50 Å²	50	85.4 Å²	85.4	22%	0.219	39%	0.391	C	S	.	.	H	α-helix	trans	-105.9	-18.3	-172.2	-63.2	-65.3	0	0	0	112.8	D290 R296 V297 R298 N737	D290-F294 HydrophobicContact CB-CD2 4.3Å; D290-F294 WeakPolarHBondContact O-CA 3.47Å; D290-F294 WeakPolarHBondContact O-CB 3.46Å; D290-F294 PolarHBondContact O-N 2.74Å; F294-R296 PolarHBondContact O-N 3.4Å; F294-V297 PolarHBondContact O-N 2.88Å; F294-R298 VanDerWaalsContact O-CB 3.31Å; F294-R298 WeakPolarHBondContact O-CB 3.31Å; F294-R298 PolarHBondContact O-N 3.43Å; F294-N737 VanDerWaalsContact CD1-ND2 3.3Å; F294-N737 WeakPolarHBondContact CD1-ND2 3.36Å
295	G	74.9	Confident	80	Confident	6 Å²	6	82.1 Å²	82.1	6%	0.062	37%	0.374	C	S	.	.	H	α-helix	trans	-63.7	-26.5	178.1	0	0	0	0	0	113.6	D290 E291 R299	D290-G295 PolarHBondContact O-N 3.16Å; E291-G295 WeakPolarHBondContact O-CA 3.44Å; E291-G295 PolarHBondContact O-N 3.28Å; G295-R299 WeakPolarHBondContact O-CG 3.16Å; G295-R299 PolarHBondContact O-N 2.9Å; G295-R299 PolarHBondContact O-NE 2.98Å
296	R	76.5	Confident	79.3	Confident	174 Å²	174	82.7 Å²	82.7	66%	0.657	38%	0.375	S	S	*	.	H	α-helix	trans	-72.8	-53.1	170.4	-169.5	-177.1	-64.8	159.7	-0.5	111.1	F294 R298 R299 D300	F294-R296 PolarHBondContact O-N 3.4Å; R296-R298 VanDerWaalsContact C-N 3.31Å; R296-R298 PolarHBondContact O-N 3.35Å; R296-R299 WeakPolarHBondContact O-CB 3.49Å; R296-R299 PolarHBondContact O-N 3.47Å; R296-R299 VanDerWaalsContact O-N 3.07Å; R296-D300 VanDerWaalsContact O-CG 3.23Å; R296-D300 PolarHBondContact O-N 3.4Å
297	V	78.4	Confident	78.5	Confident	58 Å²	58	85.5 Å²	85.5	35%	0.352	40%	0.395	S	S	.	.	H	α-helix	trans	-55.7	-45.6	178.7	176.9	0	0	0	0	111.4	F294 R299 D300 L301 N737	F294-V297 PolarHBondContact O-N 2.88Å; V297-R299 PolarHBondContact O-N 3.48Å; V297-D300 PolarHBondContact O-N 3.04Å; V297-L301 HydrophobicContact CG1-CD1 3.69Å; V297-L301 WeakPolarHBondContact O-CD1 3.37Å; V297-L301 PolarHBondContact O-N 3.37Å; V297-N737 HydrophobicContact CG1-CB 4.43Å
298	R	77.8	Confident	77.5	Confident	50 Å²	50	85.9 Å²	85.9	19%	0.189	40%	0.404	C	S	.	.	H	α-helix	trans	-59.6	-44.4	176.8	-175.1	-174.8	-68.1	167.7	-1.4	111.7	F294 R296 L301 I302 F452	F294-R298 VanDerWaalsContact O-CB 3.31Å; F294-R298 WeakPolarHBondContact O-CB 3.31Å; F294-R298 PolarHBondContact O-N 3.43Å; R296-R298 VanDerWaalsContact C-N 3.31Å; R296-R298 PolarHBondContact O-N 3.35Å; R298-L301 PolarHBondContact O-N 3.11Å; R298-I302 HydrophobicContact CG-CD1 3.88Å; R298-I302 WeakPolarHBondContact O-CD1 3.2Å; R298-I302 VanDerWaalsContact O-CG1 3.24Å; R298-I302 WeakPolarHBondContact O-CG1 3.39Å; R298-I302 PolarHBondContact O-N 2.89Å; R298-F452 HydrophobicContact CG-CE1 4.36Å; R298-F452 HydrophobicContact CG-CE2 4.21Å; R298-F452 HydrophobicContact CG-CZ 3.95Å
299	R	78.9	Confident	76.3	Confident	162 Å²	162	87.4 Å²	87.4	61%	0.611	41%	0.408	S	S	*	.	H	α-helix	trans	-62.4	-43.8	175.6	-82.2	-179.7	-78.2	155.1	-12.6	111.6	G295 R296 V297 L301 I302 V303	G295-R299 WeakPolarHBondContact O-CG 3.16Å; G295-R299 PolarHBondContact O-N 2.9Å; G295-R299 PolarHBondContact O-NE 2.98Å; R296-R299 WeakPolarHBondContact O-CB 3.49Å; R296-R299 PolarHBondContact O-N 3.47Å; R296-R299 VanDerWaalsContact O-N 3.07Å; V297-R299 PolarHBondContact O-N 3.48Å; R299-L301 VanDerWaalsContact C-N 3.32Å; R299-L301 PolarHBondContact O-N 3.43Å; R299-I302 PolarHBondContact O-N 2.68Å; R299-V303 WeakPolarHBondContact O-CG2 3.41Å; R299-V303 PolarHBondContact O-N 3.47Å
300	D	79.6	Confident	74.1	Confident	95 Å²	95	84.4 Å²	84.4	51%	0.508	41%	0.409	S	S	.	.	H	α-helix	trans	-62.5	-40.3	178.1	-58.5	-23.4	0	0	0	111.2	R296 V297 A304	R296-D300 VanDerWaalsContact O-CG 3.23Å; R296-D300 PolarHBondContact O-N 3.4Å; V297-D300 PolarHBondContact O-N 3.04Å; D300-A304 WeakPolarHBondContact O-CB 3.24Å; D300-A304 PolarHBondContact O-N 2.83Å
301	L	80.5	Confident	72.1	Confident	31 Å²	31	88.8 Å²	88.8	16%	0.162	44%	0.44	C	S	.	.	H	α-helix	trans	-66.7	-41.3	174.9	-93.8	76.3	0	0	0	113	V297 R298 R299 A304 L305 F452 Y456 N737	V297-L301 HydrophobicContact CG1-CD1 3.69Å; V297-L301 WeakPolarHBondContact O-CD1 3.37Å; V297-L301 PolarHBondContact O-N 3.37Å; R298-L301 PolarHBondContact O-N 3.11Å; R299-L301 VanDerWaalsContact C-N 3.32Å; R299-L301 PolarHBondContact O-N 3.43Å; L301-A304 PolarHBondContact O-N 3.46Å; L301-L305 WeakPolarHBondContact O-CG 3.21Å; L301-L305 PolarHBondContact O-N 2.83Å; L301-F452 HydrophobicContact CB-CD2 4.36Å; L301-F452 HydrophobicContact CB-CE2 3.92Å; L301-F452 HydrophobicContact CD2-CE2 3.89Å; L301-Y456 HydrophobicContact CD2-CD1 3.54Å; L301-Y456 HydrophobicContact CD2-CD2 4.22Å; L301-Y456 HydrophobicContact CD2-CE1 3.29Å; L301-Y456 HydrophobicContact CD2-CE2 4.01Å; L301-Y456 HydrophobicContact CD2-CG 4.01Å; L301-Y456 HydrophobicContact CG-CE1 4.29Å; L301-N737 HydrophobicContact CD2-CB 4.48Å
302	I	78.2	Confident	70.1	Confident	23 Å²	23	88.3 Å²	88.3	12%	0.118	45%	0.454	C	S	.	.	H	α-helix	trans	-62.2	-46.6	177.2	-71.7	163.2	0	0	0	109.8	R298 R299 A304 L305 E306 N449 F452	R298-I302 HydrophobicContact CG-CD1 3.88Å; R298-I302 WeakPolarHBondContact O-CD1 3.2Å; R298-I302 VanDerWaalsContact O-CG1 3.24Å; R298-I302 WeakPolarHBondContact O-CG1 3.39Å; R298-I302 PolarHBondContact O-N 2.89Å; R299-I302 PolarHBondContact O-N 2.68Å; I302-A304 VanDerWaalsContact C-N 3.31Å; I302-A304 PolarHBondContact O-N 3.4Å; I302-L305 WeakPolarHBondContact O-CB 3.36Å; I302-L305 PolarHBondContact O-N 3.13Å; I302-L305 VanDerWaalsContact O-N 3.15Å; I302-E306 WeakPolarHBondContact O-CG 3.48Å; I302-E306 PolarHBondContact O-N 3.39Å; I302-N449 HydrophobicContact CD1-CB 4.44Å; I302-N449 HydrophobicContact CG1-CB 4.47Å; I302-N449 VanDerWaalsContact CG2-OD1 3.26Å; I302-N449 WeakPolarHBondContact CG2-OD1 3.44Å; I302-F452 HydrophobicContact CG1-CB 4.36Å; I302-F452 HydrophobicContact CG1-CD2 3.95Å; I302-F452 HydrophobicContact CG1-CG 4.27Å
303	V	80.2	Confident	67.9	Low	81 Å²	81	84.9 Å²	84.9	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-60.8	-41	176.2	173	0	0	0	0	111.1	R299 L305 E306 T307	R299-V303 WeakPolarHBondContact O-CG2 3.41Å; R299-V303 PolarHBondContact O-N 3.47Å; V303-L305 VanDerWaalsContact C-N 3.33Å; V303-L305 PolarHBondContact O-N 3.43Å; V303-E306 PolarHBondContact O-N 2.9Å; V303-T307 WeakPolarHBondContact O-CG2 3.25Å; V303-T307 PolarHBondContact O-N 3.07Å; V303-T307 PolarHBondContact O-OG1 2.92Å
304	A	78.2	Confident	65.8	Low	51 Å²	51	84.9 Å²	84.9	42%	0.421	47%	0.474	S	S	.	.	H	α-helix	trans	-62	-38.9	176.3	0	0	0	0	0	112.5	D300 L301 I302 T307 D308	D300-A304 WeakPolarHBondContact O-CB 3.24Å; D300-A304 PolarHBondContact O-N 2.83Å; L301-A304 PolarHBondContact O-N 3.46Å; I302-A304 VanDerWaalsContact C-N 3.31Å; I302-A304 PolarHBondContact O-N 3.4Å; A304-T307 WeakPolarHBondContact CA-OG1 3.37Å; A304-T307 PolarHBondContact O-N 2.78Å; A304-T307 PolarHBondContact O-OG1 3.36Å; A304-D308 PolarHBondContact O-N 3.03Å; A304-D308 VanDerWaalsContact O-N 3.13Å
305	L	75.8	Confident	63.9	Low	6 Å²	6	87.5 Å²	87.5	3%	0.031	50%	0.499	C	S	.	.	H	α-helix	trans	-67.9	-40.1	175.1	-72.4	169.5	0	0	0	112.3	L301 I302 V303 T307 D308 D309 F452 Y456	L301-L305 WeakPolarHBondContact O-CG 3.21Å; L301-L305 PolarHBondContact O-N 2.83Å; I302-L305 WeakPolarHBondContact O-CB 3.36Å; I302-L305 PolarHBondContact O-N 3.13Å; I302-L305 VanDerWaalsContact O-N 3.15Å; V303-L305 VanDerWaalsContact C-N 3.33Å; V303-L305 PolarHBondContact O-N 3.43Å; L305-T307 VanDerWaalsContact C-N 3.29Å; L305-T307 PolarHBondContact O-N 3.44Å; L305-D308 PolarHBondContact O-N 3.39Å; L305-D309 PolarHBondContact O-N 3.29Å; L305-F452 HydrophobicContact CD1-CB 4.04Å; L305-F452 HydrophobicContact CD1-CD2 4.11Å; L305-Y456 HydrophobicContact CD1-CD2 4.17Å; L305-Y456 HydrophobicContact CD1-CE2 3.89Å; L305-Y456 HydrophobicContact CD2-CE2 4.15Å; L305-Y456 HydrophobicContact CG-CE2 4.2Å
306	E	73.7	Confident	61.8	Low	114 Å²	114	92.3 Å²	92.3	53%	0.533	53%	0.532	S	S	.	.	H	α-helix	trans	-63.4	-34.9	175.5	-71.2	177.2	168	0	0	112.1	I302 V303 C310	I302-E306 WeakPolarHBondContact O-CG 3.48Å; I302-E306 PolarHBondContact O-N 3.39Å; V303-E306 PolarHBondContact O-N 2.9Å; E306-C310 PolarHBondContact O-SG 3.37Å
307	T	71.4	Confident	59.7	Low	96 Å²	96	91.1 Å²	91.1	59%	0.589	54%	0.539	S	S	*	.	H	α-helix	trans	-72.5	-30.9	174.8	53.8	0	0	0	0	113.6	V303 A304 L305	V303-T307 WeakPolarHBondContact O-CG2 3.25Å; V303-T307 PolarHBondContact O-N 3.07Å; V303-T307 PolarHBondContact O-OG1 2.92Å; A304-T307 WeakPolarHBondContact CA-OG1 3.37Å; A304-T307 PolarHBondContact O-N 2.78Å; A304-T307 PolarHBondContact O-OG1 3.36Å; L305-T307 VanDerWaalsContact C-N 3.29Å; L305-T307 PolarHBondContact O-N 3.44Å
308	D	63.9	Low	57.4	Low	110 Å²	110	92 Å²	92	59%	0.588	56%	0.559	S	S	*	*	H	α-helix	trans	-75.9	-31.2	178.8	-158.1	39.9	0	0	0	111.3	A304 L305 C310 R455	A304-D308 PolarHBondContact O-N 3.03Å; A304-D308 VanDerWaalsContact O-N 3.13Å; L305-D308 PolarHBondContact O-N 3.39Å; D308-C310 VanDerWaalsContact C-N 3.31Å; D308-C310 PolarHBondContact O-N 3.45Å; D308-R455 IonicContact OD2-NH1 3.11Å; D308-R455 PolarHBondContact OD2-NH1 3.1Å
309	D	59.2	Low	55.3	Low	96 Å²	96	97.5 Å²	97.5	51%	0.513	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.3	5.4	176.2	-74.1	-22.5	0	0	0	113.6	L305 R455	L305-D309 PolarHBondContact O-N 3.29Å; D309-R455 IonicContact OD1-NH2 3.76Å; D309-R455 PolarHBondContact OD1-NH2 3.43Å
310	C	40.3	Very low	53	Low	85 Å²	85	96.8 Å²	96.8	57%	0.574	60%	0.599	S	S	*	*			trans	-74	124.6	174.9	-87.5	0	0	0	0	112.7	E306 D308 G312	E306-C310 PolarHBondContact O-SG 3.37Å; D308-C310 VanDerWaalsContact C-N 3.31Å; D308-C310 PolarHBondContact O-N 3.45Å; C310-G312 PolarHBondContact O-N 3.46Å
311	P	36.6	Very low	50.8	Low	137 Å²	137	100.2 Å²	100.2	89%	0.89	62%	0.617	S	S	*	*	S	Bend	trans	-77.8	87	-179.9	31.2	-31.6	0	0	0	110
312	G	37.9	Very low	48.5	Very low	63 Å²	63	109 Å²	109	65%	0.649	65%	0.65	S	S	*	*			trans	171	62.1	178	0	0	0	0	0	116.8	C310	C310-G312 PolarHBondContact O-N 3.46Å
313	T	35.1	Very low	46.3	Very low	140 Å²	140	111.6 Å²	111.6	86%	0.859	68%	0.682	S	S	*	*			trans	-159.3	104	149.9	0.4	0	0	0	0	111.2	S315	T313-S315 PolarHBondContact O-N 3.19Å
314	T	30.7	Very low	44.1	Very low	154 Å²	154	112.4 Å²	112.4	95%	0.945	70%	0.697	S	S	*	*			trans	-64.7	103.6	165.9	19.9	0	0	0	0	109.9
315	S	35.3	Very low	42	Very low	106 Å²	106	117.8 Å²	117.8	74%	0.741	72%	0.717	S	S	*	*			trans	-145.8	91.5	163.3	167.9	0	0	0	0	109.4	T313 N317	T313-S315 PolarHBondContact O-N 3.19Å; S315-N317 PolarHBondContact O-N 2.98Å; S315-N317 VanDerWaalsContact O-N 3.16Å
316	S	29.8	Very low	39.9	Very low	106 Å²	106	124.8 Å²	124.8	74%	0.741	75%	0.754	S	S	*	*			trans	-43.2	112	159.3	160.8	0	0	0	0	110.7
317	N	33	Very low	38.1	Very low	150 Å²	150	131 Å²	131	80%	0.802	77%	0.773	S	S	*	*			trans	175.5	99.8	135.1	-83.6	-14.8	0	0	0	111.2	S315	S315-N317 PolarHBondContact O-N 2.98Å; S315-N317 VanDerWaalsContact O-N 3.16Å
318	G	28.8	Very low	36.2	Very low	76 Å²	76	131.7 Å²	131.7	78%	0.784	78%	0.782	S	S	*	*			trans	60.3	77.4	142.3	0	0	0	0	0	119.7
319	I	33.9	Very low	34.7	Very low	166 Å²	166	132.8 Å²	132.8	85%	0.851	80%	0.795	S	S	*	*			trans	-141	115.8	144.6	-59.8	-176.1	0	0	0	107.3	N321	I319-N321 PolarHBondContact O-N 3.37Å
320	D	32.3	Very low	33.5	Very low	147 Å²	147	133.6 Å²	133.6	79%	0.786	81%	0.808	S	S	*	*			trans	-64.2	117.5	-174.6	-67.2	-46.4	0	0	0	112.3	Y322	D320-Y322 PolarHBondContact O-N 3.32Å
321	N	32.2	Very low	33.2	Very low	166 Å²	166	139.6 Å²	139.6	89%	0.888	82%	0.824	S	S	*	*			trans	-62.8	107.1	171.5	-101.2	-27.7	0	0	0	111	I319 G323	I319-N321 PolarHBondContact O-N 3.37Å; N321-G323 PolarHBondContact O-N 3.42Å
322	Y	32.1	Very low	32.9	Very low	217 Å²	217	144.6 Å²	144.6	85%	0.851	83%	0.826	S	S	*	*			trans	-78.4	100.9	161	-88	-90.8	0	0	0	109.7	D320	D320-Y322 PolarHBondContact O-N 3.32Å
323	G	32.7	Very low	32.6	Very low	76 Å²	76	149.5 Å²	149.5	78%	0.784	84%	0.836	S	S	*	*	S	Bend	trans	115.9	16.5	137.8	0	0	0	0	0	121.4	N321	N321-G323 PolarHBondContact O-N 3.42Å
324	A	33.8	Very low	32.6	Very low	98 Å²	98	147.6 Å²	147.6	81%	0.81	83%	0.828	S	S	*	*			trans	-108.2	97.3	170.7	0	0	0	0	0	111.7	N326	A324-N326 PolarHBondContact O-N 2.99Å
325	I	34.9	Very low	32.7	Very low	165 Å²	165	146.2 Å²	146.2	85%	0.846	82%	0.82	S	S	*	*			trans	-70.4	118.9	168.5	-68.1	174.1	0	0	0	108.7	R327	I325-R327 PolarHBondContact O-N 3Å
326	N	29.8	Very low	32.6	Very low	153 Å²	153	148.3 Å²	148.3	82%	0.818	82%	0.823	S	S	*	*			trans	-45.1	116.6	168.1	-86	-31.9	0	0	0	112.4	A324	A324-N326 PolarHBondContact O-N 2.99Å
327	R	35.9	Very low	32.9	Very low	244 Å²	244	152.9 Å²	152.9	92%	0.921	83%	0.833	S	S	*	*			trans	-121.3	103.8	154.3	-89.5	-171.9	-179.4	177.9	2.7	109.7	I325	I325-R327 PolarHBondContact O-N 3Å
328	S	32.3	Very low	33	Very low	111 Å²	111	150.2 Å²	150.2	78%	0.776	83%	0.831	S	S	*	*			trans	-58.9	139.6	172.5	-46.7	0	0	0	0	111.5	S330	S328-S330 PolarHBondContact O-N 3.33Å
329	P	32.8	Very low	33.2	Very low	132 Å²	132	153.4 Å²	153.4	86%	0.857	83%	0.83	S	S	*	*			trans	-90.7	102.8	-176.4	33.3	-29.2	0	0	0	110.7
330	S	34.2	Very low	33.2	Very low	114 Å²	114	153.3 Å²	153.3	80%	0.797	83%	0.832	S	S	*	*			trans	-159	93.5	160.6	-162.6	0	0	0	0	111.6	S328	S328-S330 PolarHBondContact O-N 3.33Å
331	K	32.9	Very low	33.2	Very low	211 Å²	211	151.8 Å²	151.8	92%	0.917	83%	0.832	S	S	*	*			trans	-177.8	119.6	134.8	-103	170.4	-178.9	-178.4	0	110.3
332	R	30.9	Very low	33.6	Very low	242 Å²	242	153.6 Å²	153.6	91%	0.913	83%	0.828	S	S	*	*			trans	-75.3	152.5	172.6	-65.4	175	-173.9	173.2	0.5	110.3
333	L	31.7	Very low	34	Very low	166 Å²	166	149.5 Å²	149.5	87%	0.869	82%	0.821	S	S	*	*			trans	103.9	137.2	139	-148.6	71.6	0	0	0	118.2
334	S	35.2	Very low	34.2	Very low	100 Å²	100	151.4 Å²	151.4	70%	0.699	81%	0.813	S	S	*	*			trans	79	96.9	166.1	70.8	0	0	0	0	120
335	T	31.6	Very low	35	Very low	125 Å²	125	152.6 Å²	152.6	77%	0.767	81%	0.81	S	S	*	*				23.4	135.4	125.9	-15.4	0	0	0	0	120.3
336	D	33.8	Very low	35.6	Very low	150 Å²	150	150 Å²	150	80%	0.802	80%	0.798	S	S	*	*			trans	99.1	121.6	162.5	-57.2	-31	0	0	0	117.6
337	E	36.5	Very low	36.3	Very low	202 Å²	202	146.7 Å²	146.7	94%	0.944	78%	0.78	S	S	*	*			trans	91.3	120.5	167.6	-48.1	-143.8	148.8	0	0	118.7
338	A	34.1	Very low	36.9	Very low	94 Å²	94	136.6 Å²	136.6	78%	0.777	75%	0.749	S	S	*	*			trans	-89.9	147.5	-173.3	0	0	0	0	0	112
339	D	34.1	Very low	37.8	Very low	143 Å²	143	133.6 Å²	133.6	77%	0.765	73%	0.728	S	S	*	*			trans	75.7	58	159.4	-79.2	-10.6	0	0	0	118.8
340	D	32.4	Very low	38.5	Very low	164 Å²	164	133.1 Å²	133.1	88%	0.877	71%	0.712	S	S	*	*			trans	-115.3	88.1	158	-94.7	-21.5	0	0	0	112
341	S	32.9	Very low	39.5	Very low	114 Å²	114	133.5 Å²	133.5	80%	0.797	70%	0.701	S	S	*	*			trans	-150.8	58.7	163.6	168.6	0	0	0	0	108.3	D343	S341-D343 PolarHBondContact O-N 3.48Å
342	Y	40.3	Very low	40.5	Very low	205 Å²	205	127.9 Å²	127.9	80%	0.804	68%	0.677	S	S	*	*			trans	-79.4	114	170.3	-88.7	-89	0	0	0	109.3	N344	Y342-N344 PolarHBondContact O-N 2.86Å
343	D	41.7	Very low	41.6	Very low	130 Å²	130	120.5 Å²	120.5	70%	0.695	66%	0.655	S	S	*	*			trans	-60.3	125.4	155.1	-72.7	-33.5	0	0	0	107.7	S341 V345	S341-D343 PolarHBondContact O-N 3.48Å; D343-V345 PolarHBondContact O-N 3.21Å
344	N	36.7	Very low	42.7	Very low	116 Å²	116	118.5 Å²	118.5	62%	0.62	64%	0.644	S	S	*	*			trans	-52.8	134.3	173.2	-87.1	-38.8	0	0	0	109.4	Y342 D346 D347 A348	Y342-N344 PolarHBondContact O-N 2.86Å; N344-D346 PolarHBondContact O-N 2.85Å; N344-D347 PolarHBondContact O-N 2.88Å; N344-A348 PolarHBondContact O-N 3.48Å
345	V	50	Low	43.8	Very low	123 Å²	123	114.7 Å²	114.7	75%	0.745	62%	0.617	S	S	*	*	H	α-helix	trans	-51.7	-31.1	-179	-178.2	0	0	0	0	111.4	D343 S349	D343-V345 PolarHBondContact O-N 3.21Å; V345-S349 VanDerWaalsContact O-CB 3.27Å; V345-S349 WeakPolarHBondContact O-CB 3.45Å; V345-S349 PolarHBondContact O-N 3.47Å; V345-S349 PolarHBondContact O-OG 2.84Å
346	D	47.1	Very low	45	Very low	112 Å²	112	110.8 Å²	110.8	60%	0.599	59%	0.588	S	S	*	*	H	α-helix	trans	-69.4	-41.7	177.5	-73	-30.7	0	0	0	113.6	N344 S349 K350	N344-D346 PolarHBondContact O-N 2.85Å; D346-S349 PolarHBondContact O-N 3.39Å; D346-S349 PolarHBondContact O-OG 3.2Å; D346-K350 WeakPolarHBondContact O-CG 3.4Å; D346-K350 PolarHBondContact O-N 2.59Å
347	D	46	Very low	46.1	Very low	83 Å²	83	108 Å²	108	44%	0.444	58%	0.576	S	S	.	*	H	α-helix	trans	-74.6	-39.5	-179	-67.3	-29.2	0	0	0	111	N344 S349 K350 E351	N344-D347 PolarHBondContact O-N 2.88Å; D347-S349 PolarHBondContact O-N 2.95Å; D347-K350 PolarHBondContact O-N 2.92Å; D347-K350 IonicContact OD1-NZ 3.84Å; D347-E351 PolarHBondContact O-N 3.47Å
348	A	47	Very low	47.1	Very low	32 Å²	32	102.9 Å²	102.9	26%	0.264	55%	0.551	S	S	.	*	H	α-helix	trans	-62.2	-30.2	170.5	0	0	0	0	0	112.5	N344 K352	N344-A348 PolarHBondContact O-N 3.48Å; A348-K352 WeakPolarHBondContact O-CB 3.3Å; A348-K352 VanDerWaalsContact O-CD 3.24Å; A348-K352 WeakPolarHBondContact O-CD 3.24Å; A348-K352 WeakPolarHBondContact O-CG 3.21Å; A348-K352 PolarHBondContact O-N 3.47Å
349	S	51.4	Low	48.3	Very low	47 Å²	47	102.9 Å²	102.9	33%	0.329	54%	0.541	S	S	.	.	H	α-helix	trans	-77	-38.6	175	81.1	0	0	0	0	112.5	V345 D346 D347 K352 L353	V345-S349 VanDerWaalsContact O-CB 3.27Å; V345-S349 WeakPolarHBondContact O-CB 3.45Å; V345-S349 PolarHBondContact O-N 3.47Å; V345-S349 PolarHBondContact O-OG 2.84Å; D346-S349 PolarHBondContact O-N 3.39Å; D346-S349 PolarHBondContact O-OG 3.2Å; D347-S349 PolarHBondContact O-N 2.95Å; S349-K352 PolarHBondContact O-N 2.97Å; S349-L353 WeakPolarHBondContact O-CB 3.34Å; S349-L353 WeakPolarHBondContact O-CD1 3.28Å; S349-L353 PolarHBondContact O-N 3.07Å
350	K	48.8	Very low	49.5	Very low	123 Å²	123	102 Å²	102	54%	0.535	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-44.9	178.9	-78.5	173.2	-173.5	164.2	0	112.1	D346 D347 L353 I354	D346-K350 WeakPolarHBondContact O-CG 3.4Å; D346-K350 PolarHBondContact O-N 2.59Å; D347-K350 PolarHBondContact O-N 2.92Å; D347-K350 IonicContact OD1-NZ 3.84Å; K350-L353 WeakPolarHBondContact O-CB 3.49Å; K350-L353 PolarHBondContact O-N 3.43Å; K350-I354 WeakPolarHBondContact O-CG1 3.4Å; K350-I354 PolarHBondContact O-N 3.04Å
351	E	53.9	Low	51.1	Low	121 Å²	121	94.5 Å²	94.5	57%	0.565	50%	0.496	S	S	*	.	H	α-helix	trans	-65.1	-41.6	176.2	-75.1	-164.5	164.1	0	0	112.1	D347 L353 I354 V355	D347-E351 PolarHBondContact O-N 3.47Å; E351-L353 PolarHBondContact O-N 2.88Å; E351-I354 PolarHBondContact O-N 3.46Å; E351-V355 VanDerWaalsContact O-CG2 3.32Å; E351-V355 WeakPolarHBondContact O-CG2 3.35Å; E351-V355 PolarHBondContact O-N 3.42Å; E351-V355 VanDerWaalsContact O-N 3.1Å
352	K	53.7	Low	53	Low	93 Å²	93	90.3 Å²	90.3	40%	0.404	47%	0.466	S	S	.	.	H	α-helix	trans	-58.6	-36.8	173.2	-75.8	173.3	-169.6	171.1	0	112.3	A348 S349 R356	A348-K352 WeakPolarHBondContact O-CB 3.3Å; A348-K352 VanDerWaalsContact O-CD 3.24Å; A348-K352 WeakPolarHBondContact O-CD 3.24Å; A348-K352 WeakPolarHBondContact O-CG 3.21Å; A348-K352 PolarHBondContact O-N 3.47Å; S349-K352 PolarHBondContact O-N 2.97Å; K352-R356 WeakPolarHBondContact O-CB 3.33Å; K352-R356 WeakPolarHBondContact O-CG 3.45Å; K352-R356 PolarHBondContact O-N 2.86Å
353	L	54.1	Low	54.4	Low	87 Å²	87	80.5 Å²	80.5	46%	0.455	43%	0.427	S	S	.	.	H	α-helix	trans	-67.8	-42.7	177	-98.3	149.2	0	0	0	112.2	S349 K350 E351 T357	S349-L353 WeakPolarHBondContact O-CB 3.34Å; S349-L353 WeakPolarHBondContact O-CD1 3.28Å; S349-L353 PolarHBondContact O-N 3.07Å; K350-L353 WeakPolarHBondContact O-CB 3.49Å; K350-L353 PolarHBondContact O-N 3.43Å; E351-L353 PolarHBondContact O-N 2.88Å; L353-T357 WeakPolarHBondContact O-CG2 3.31Å; L353-T357 PolarHBondContact O-OG1 3.39Å
354	I	56.5	Low	55.5	Low	124 Å²	124	76.2 Å²	76.2	64%	0.636	41%	0.409	S	S	*	.	H	α-helix	trans	-67.3	-37.4	-179.6	-65.8	163.8	0	0	0	111.6	K350 E351 T357	K350-I354 WeakPolarHBondContact O-CG1 3.4Å; K350-I354 PolarHBondContact O-N 3.04Å; E351-I354 PolarHBondContact O-N 3.46Å; I354-T357 PolarHBondContact O-OG1 2.93Å
355	V	57.1	Low	56.8	Low	21 Å²	21	72 Å²	72	13%	0.127	39%	0.387	C	S	.	.	H	α-helix	trans	-76.3	-40.6	-176.6	176.4	0	0	0	0	111.7	E351 T357 K358 L361 D365 R368	E351-V355 VanDerWaalsContact O-CG2 3.32Å; E351-V355 WeakPolarHBondContact O-CG2 3.35Å; E351-V355 PolarHBondContact O-N 3.42Å; E351-V355 VanDerWaalsContact O-N 3.1Å; V355-T357 VanDerWaalsContact C-N 3.32Å; V355-T357 PolarHBondContact O-N 3.31Å; V355-K358 WeakPolarHBondContact O-CB 3.39Å; V355-K358 PolarHBondContact O-N 3.35Å; V355-L361 HydrophobicContact CG1-CD2 4.13Å; V355-L361 WeakPolarHBondContact O-CD2 3.45Å; V355-D365 HydrophobicContact CG1-CB 3.53Å; V355-D365 WeakPolarHBondContact CG1-O 3.42Å; V355-R368 VanDerWaalsContact CG2-NH2 3.3Å
356	R	57.1	Low	57.6	Low	43 Å²	43	66.6 Å²	66.6	16%	0.162	35%	0.354	C	S	.	.	H	α-helix	trans	-76.7	-11.4	-175.3	-71.9	-178.5	-175.9	170.4	2.8	115	K352 K358 L366 D516 Q570	K352-R356 WeakPolarHBondContact O-CB 3.33Å; K352-R356 WeakPolarHBondContact O-CG 3.45Å; K352-R356 PolarHBondContact O-N 2.86Å; R356-K358 PolarHBondContact O-N 3.38Å; R356-L366 HydrophobicContact CG-CD2 4.46Å; R356-D516 IonicContact CZ-OD2 3.41Å; R356-D516 IonicContact NE-OD2 2.72Å; R356-D516 IonicContact NH2-OD2 2.81Å; R356-D516 PolarHBondContact NH2-OD2 3.46Å; R356-Q570 HydrophobicContact CB-CG 4.48Å
357	T	56.6	Low	58.3	Low	90 Å²	90	62.6 Å²	62.6	55%	0.552	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-10.9	173.1	43.7	0	0	0	0	113.5	L353 I354 V355 V359	L353-T357 WeakPolarHBondContact O-CG2 3.31Å; L353-T357 PolarHBondContact O-OG1 3.39Å; I354-T357 PolarHBondContact O-OG1 2.93Å; V355-T357 VanDerWaalsContact C-N 3.32Å; V355-T357 PolarHBondContact O-N 3.31Å; T357-V359 PolarHBondContact O-N 2.68Å
358	K	58.6	Low	58.9	Low	96 Å²	96	64.7 Å²	64.7	42%	0.417	34%	0.338	S	S	.	.			trans	-64.4	128.8	174.3	-162.9	179.5	172.3	-173	0	110.5	V355 R356 N360 D365 K568	V355-K358 WeakPolarHBondContact O-CB 3.39Å; V355-K358 PolarHBondContact O-N 3.35Å; R356-K358 PolarHBondContact O-N 3.38Å; K358-N360 VanDerWaalsContact C-N 3.32Å; K358-N360 VanDerWaalsContact CD-O 3.25Å; K358-N360 WeakPolarHBondContact CD-O 3.33Å; K358-N360 WeakPolarHBondContact CE-O 3.42Å; K358-N360 VanDerWaalsContact CG-O 3.31Å; K358-N360 WeakPolarHBondContact CG-O 3.43Å; K358-N360 PolarHBondContact O-N 3.19Å; K358-D365 WeakPolarHBondContact CD-OD2 3.42Å; K358-D365 IonicContact NZ-OD1 3.38Å; K358-D365 PolarHBondContact NZ-OD1 3.11Å; K358-D365 IonicContact NZ-OD2 2.86Å; K358-D365 PolarHBondContact NZ-OD2 3.07Å; K358-K568 PolarHBondContact O-NZ 3.08Å
359	V	57.8	Low	59.6	Low	93 Å²	93	67.6 Å²	67.6	56%	0.564	35%	0.345	S	S	*	.	S	Bend	trans	-58.5	-47.9	-179	179.3	0	0	0	0	110.2	T357 K568 Y599	T357-V359 PolarHBondContact O-N 2.68Å; V359-K568 PolarHBondContact O-NZ 2.96Å; V359-K568 VanDerWaalsContact O-NZ 3.14Å; V359-Y599 HydrophobicContact CG1-CE1 4.38Å
360	N	60.8	Low	59.8	Low	126 Å²	126	69.1 Å²	69.1	67%	0.674	35%	0.354	S	S	*	.	S	Bend	trans	-106.6	99.4	176.1	-60.6	-24.7	0	0	0	109	K358	K358-N360 VanDerWaalsContact C-N 3.32Å; K358-N360 VanDerWaalsContact CD-O 3.25Å; K358-N360 WeakPolarHBondContact CD-O 3.33Å; K358-N360 WeakPolarHBondContact CE-O 3.42Å; K358-N360 VanDerWaalsContact CG-O 3.31Å; K358-N360 WeakPolarHBondContact CG-O 3.43Å; K358-N360 PolarHBondContact O-N 3.19Å
361	L	65.6	Low	60.1	Low	6 Å²	6	65.5 Å²	65.5	3%	0.031	34%	0.337	C	S	.	.			trans	-83.4	140	173.9	-89.1	151.6	0	0	0	109	V355 D365 L366 K568 V745	V355-L361 HydrophobicContact CG1-CD2 4.13Å; V355-L361 WeakPolarHBondContact O-CD2 3.45Å; L361-D365 HydrophobicContact CD2-CB 3.8Å; L361-L366 HydrophobicContact CD2-CD2 4.24Å; L361-L366 HydrophobicContact CD2-CG 4.49Å; L361-K568 HydrophobicContact CD1-CD 3.49Å; L361-K568 VanDerWaalsContact CD1-CD 3.49Å; L361-K568 VanDerWaalsContact CD1-NZ 3.28Å; L361-V745 HydrophobicContact CB-CB 3.79Å; L361-V745 HydrophobicContact CB-CG1 4.4Å; L361-V745 HydrophobicContact CB-CG2 4.22Å; L361-V745 PolarHBondContact O-N 3.37Å
362	V	72	Confident	60.2	Low	25 Å²	25	69 Å²	69	15%	0.152	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-117.6	159	172.7	-65.4	0	0	0	0	109.9	A364 D365 D741 I743	V362-A364 HydrophobicContact CG2-CB 4.16Å; V362-A364 PolarHBondContact O-N 2.98Å; V362-A364 VanDerWaalsContact O-N 3.17Å; V362-D365 HydrophobicContact CG2-CB 4.49Å; V362-D365 VanDerWaalsContact CG2-OD2 3.31Å; V362-D365 WeakPolarHBondContact CG2-OD2 3.24Å; V362-D365 PolarHBondContact N-OD2 3.11Å; V362-D365 VanDerWaalsContact N-OD2 3.14Å; V362-D365 VanDerWaalsContact O-CB 3.22Å; V362-D365 WeakPolarHBondContact O-CB 3.45Å; V362-D365 PolarHBondContact O-N 3.24Å; V362-D741 WeakPolarHBondContact CG1-O 3.23Å; V362-I743 CarbonylContact C-O 3.57Å; V362-I743 WeakPolarHBondContact CA-O 3.35Å; V362-I743 WeakPolarHBondContact CB-O 3.44Å
363	V	70.8	Confident	60.3	Low	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-59	-31.3	-177.4	172.4	0	0	0	0	111.7	D365 L366 A367 P459 P515 H740 I743 V745	V363-D365 PolarHBondContact O-N 2.84Å; V363-L366 CarbonylContact O-C 3.12Å; V363-L366 PolarHBondContact O-N 3.47Å; V363-A367 HydrophobicContact CG1-CB 4.14Å; V363-A367 WeakPolarHBondContact O-CB 3.37Å; V363-A367 PolarHBondContact O-N 3.05Å; V363-P459 HydrophobicContact CG1-CG 4.47Å; V363-P515 HydrophobicContact CG1-CG 4.31Å; V363-H740 PolarHBondContact N-O 3.24Å; V363-I743 HydrophobicContact CB-CB 4.11Å; V363-I743 HydrophobicContact CB-CG2 4.38Å; V363-I743 HydrophobicContact CG2-CB 3.74Å; V363-I743 HydrophobicContact CG2-CG2 3.48Å; V363-I743 VanDerWaalsContact CG2-CG2 3.48Å; V363-I743 PolarHBondContact N-O 2.89Å; V363-V745 HydrophobicContact CG2-CG2 4.15Å
364	A	65.1	Low	60.2	Low	39 Å²	39	69.4 Å²	69.4	32%	0.322	35%	0.353	S	S	.	.	H	α-helix	trans	-57.9	-31.7	174.9	0	0	0	0	0	112.9	V362 L366 H740 D741	V362-A364 HydrophobicContact CG2-CB 4.16Å; V362-A364 PolarHBondContact O-N 2.98Å; V362-A364 VanDerWaalsContact O-N 3.17Å; A364-L366 VanDerWaalsContact C-N 3.25Å; A364-L366 PolarHBondContact O-N 3.44Å; A364-H740 HydrophobicContact CB-CB 3.63Å; A364-H740 PolarHBondContact N-O 2.92Å; A364-D741 HydrophobicContact CB-CB 4.28Å
365	D	63.5	Low	59.9	Low	29 Å²	29	67.5 Å²	67.5	16%	0.155	34%	0.344	C	S	.	.	H	α-helix	trans	-67.4	-29.9	177.9	-68.3	-35.6	0	0	0	110.8	V355 K358 L361 V362 V363 R368	V355-D365 HydrophobicContact CG1-CB 3.53Å; V355-D365 WeakPolarHBondContact CG1-O 3.42Å; K358-D365 WeakPolarHBondContact CD-OD2 3.42Å; K358-D365 IonicContact NZ-OD1 3.38Å; K358-D365 PolarHBondContact NZ-OD1 3.11Å; K358-D365 IonicContact NZ-OD2 2.86Å; K358-D365 PolarHBondContact NZ-OD2 3.07Å; L361-D365 HydrophobicContact CD2-CB 3.8Å; V362-D365 HydrophobicContact CG2-CB 4.49Å; V362-D365 VanDerWaalsContact CG2-OD2 3.31Å; V362-D365 WeakPolarHBondContact CG2-OD2 3.24Å; V362-D365 PolarHBondContact N-OD2 3.11Å; V362-D365 VanDerWaalsContact N-OD2 3.14Å; V362-D365 VanDerWaalsContact O-CB 3.22Å; V362-D365 WeakPolarHBondContact O-CB 3.45Å; V362-D365 PolarHBondContact O-N 3.24Å; V363-D365 PolarHBondContact O-N 2.84Å; D365-R368 PolarHBondContact O-NE 3.39Å
366	L	66.6	Low	59.3	Low	8 Å²	8	75.3 Å²	75.3	4%	0.042	38%	0.376	C	S	.	.	H	α-helix	trans	-106.4	-24.4	-173.5	-57.6	179.9	0	0	0	114.3	R356 L361 V363 A364 R368 P515 D516 V745	R356-L366 HydrophobicContact CG-CD2 4.46Å; L361-L366 HydrophobicContact CD2-CD2 4.24Å; L361-L366 HydrophobicContact CD2-CG 4.49Å; V363-L366 CarbonylContact O-C 3.12Å; V363-L366 PolarHBondContact O-N 3.47Å; A364-L366 VanDerWaalsContact C-N 3.25Å; A364-L366 PolarHBondContact O-N 3.44Å; L366-R368 PolarHBondContact O-N 3.19Å; L366-P515 HydrophobicContact CB-CG 4.3Å; L366-D516 HydrophobicContact CB-CB 4.27Å; L366-D516 WeakPolarHBondContact O-CB 3.44Å; L366-V745 HydrophobicContact CD1-CB 4.49Å; L366-V745 HydrophobicContact CD1-CG1 3.97Å; L366-V745 HydrophobicContact CD1-CG2 3.87Å
367	A	61.1	Low	58.6	Low	29 Å²	29	81.8 Å²	81.8	24%	0.24	41%	0.406	C	S	.	.			trans	-77.4	46.8	-174.1	0	0	0	0	0	114.8	V363 P459	V363-A367 HydrophobicContact CG1-CB 4.14Å; V363-A367 WeakPolarHBondContact O-CB 3.37Å; V363-A367 PolarHBondContact O-N 3.05Å; A367-P459 HydrophobicContact CB-CG 3.57Å
368	R	59.9	Low	57.7	Low	126 Å²	126	83.7 Å²	83.7	48%	0.475	40%	0.404	S	S	.	.			trans	-93.8	-10.7	-169.7	-62.3	-175	-177.5	-162.4	-6.4	116	V355 D365 L366	V355-R368 VanDerWaalsContact CG2-NH2 3.3Å; D365-R368 PolarHBondContact O-NE 3.39Å; L366-R368 PolarHBondContact O-N 3.19Å
369	K	60.1	Low	56.3	Low	94 Å²	94	84.4 Å²	84.4	41%	0.409	42%	0.421	S	S	.	.	S	Bend	trans	-93	135.2	-174.2	-70.9	-178.5	177.6	172.7	0	112.3	D516	K369-D516 PolarHBondContact NZ-O 3.35Å
370	P	57.1	Low	55.1	Low	79 Å²	79	84.3 Å²	84.3	51%	0.513	42%	0.416	S	S	.	.			trans	-66.7	135.9	175.9	26.1	-32.4	0	0	0	111.7	K372 Q373	P370-K372 PolarHBondContact O-N 2.84Å; P370-K372 VanDerWaalsContact O-N 3.07Å; P370-Q373 PolarHBondContact O-N 3.35Å; P370-Q373 VanDerWaalsContact O-N 3.11Å
371	Y	54.2	Low	53.6	Low	47 Å²	47	88.1 Å²	88.1	18%	0.184	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-50.6	-37.4	-175	-174.1	-95.1	0	0	0	114.2	Q373 N374 D439 N442 L446 K460	Y371-Q373 VanDerWaalsContact C-N 3.27Å; Y371-Q373 PolarHBondContact O-N 2.7Å; Y371-N374 PolarHBondContact O-N 3.36Å; Y371-N374 VanDerWaalsContact O-N 3.12Å; Y371-D439 PolarHBondContact OH-OD1 3.03Å; Y371-N442 PolarHBondContact OH-ND2 3.36Å; Y371-L446 HydrophobicContact CD1-CD2 3.2Å; Y371-L446 HydrophobicContact CD2-CD2 4.07Å; Y371-L446 HydrophobicContact CE1-CD2 3.72Å; Y371-L446 HydrophobicContact CE2-CD2 4.49Å; Y371-L446 HydrophobicContact CG-CD2 3.41Å; Y371-L446 VanDerWaalsContact CG-CD2 3.41Å; Y371-K460 WeakPolarHBondContact CE2-O 3.43Å
372	K	55.3	Low	51.9	Low	194 Å²	194	94 Å²	94	84%	0.843	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-60.8	-27.9	-178	-79.1	-175.7	177.7	177.4	0	114.1	P370	P370-K372 PolarHBondContact O-N 2.84Å; P370-K372 VanDerWaalsContact O-N 3.07Å
373	Q	56.4	Low	49.9	Very low	146 Å²	146	97.9 Å²	97.9	68%	0.682	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-77.8	-20.6	178.7	-84.4	178.4	-10.1	0	0	113.1	P370 Y371	P370-Q373 PolarHBondContact O-N 3.35Å; P370-Q373 VanDerWaalsContact O-N 3.11Å; Y371-Q373 VanDerWaalsContact C-N 3.27Å; Y371-Q373 PolarHBondContact O-N 2.7Å
374	N	51.7	Low	48	Very low	42 Å²	42	102.3 Å²	102.3	23%	0.225	53%	0.525	C	S	.	.	S	Bend	trans	-90.6	-6.8	-174.7	-76.5	1	0	0	0	114.3	Y371 H461 N518	Y371-N374 PolarHBondContact O-N 3.36Å; Y371-N374 VanDerWaalsContact O-N 3.12Å; N374-H461 PolarHBondContact ND2-CE1 2.93Å; N374-H461 PolarHBondContact ND2-NE2 3.43Å; N374-H461 VanDerWaalsContact ND2-NE2 3.19Å; N374-N518 PolarHBondContact ND2-ND2 3.42Å; N374-N518 PolarHBondContact OD1-ND2 3.43Å
375	N	51	Low	46.8	Very low	85 Å²	85	103.8 Å²	103.8	46%	0.455	53%	0.527	S	S	.	.			trans	-103.5	22.9	-170.4	-154.2	20.5	0	0	0	115.3
376	K	44.3	Very low	45.6	Very low	184 Å²	184	108.2 Å²	108.2	80%	0.8	56%	0.555	S	S	*	*			trans	-106.8	131.2	176.7	-86.3	-178.9	177.5	176.1	0	111.8
377	K	41.8	Very low	44.7	Very low	180 Å²	180	112.5 Å²	112.5	78%	0.783	57%	0.573	S	S	*	*			trans	87.4	106.3	160.1	-101.6	177.1	174.1	178.2	0	119.2
378	Y	37.6	Very low	44	Very low	130 Å²	130	119 Å²	119	51%	0.51	60%	0.599	S	S	.	*			trans	-150.7	134.4	140	-67.6	-72.1	0	0	0	109.3	Y525	Y378-Y525 VanDerWaalsContact CD1-OH 3.28Å; Y378-Y525 WeakPolarHBondContact CD1-OH 3.38Å; Y378-Y525 WeakPolarHBondContact CE1-OH 3.31Å
379	S	30	Very low	43.5	Very low	111 Å²	111	120.3 Å²	120.3	78%	0.776	61%	0.61	S	S	*	*			trans	-138.4	140.6	171.8	-172.4	0	0	0	0	108.4
380	I	32.2	Very low	43.3	Very low	91 Å²	91	116.7 Å²	116.7	47%	0.467	60%	0.596	S	S	.	*			trans	-110.4	139.1	-167.8	-64.5	169.1	0	0	0	109.8	M470	I380-M470 HydrophobicContact CD1-CB 3.94Å; I380-M470 HydrophobicContact CD1-CE 3.45Å; I380-M470 VanDerWaalsContact CD1-CE 3.45Å; I380-M470 HydrophobicContact CD1-CG 3.67Å; I380-M470 HydrophobicContact CD1-SD 4.15Å
381	Y	28.6	Very low	43.3	Very low	206 Å²	206	118.1 Å²	118.1	81%	0.808	59%	0.594	S	S	*	*			trans	-104	147.2	174.4	-66	-84.5	0	0	0	110.7
382	P	30.2	Very low	43.5	Very low	128 Å²	128	121 Å²	121	83%	0.831	62%	0.617	S	S	*	*			trans	-89.4	154	174.2	33.6	-30.6	0	0	0	113
383	C	29.9	Very low	44	Very low	108 Å²	108	115.2 Å²	115.2	73%	0.73	60%	0.598	S	S	*	*			trans	-118.6	143.8	175.8	-162.6	0	0	0	0	110.1
384	A	31.2	Very low	44.8	Very low	93 Å²	93	108.9 Å²	108.9	77%	0.769	57%	0.571	S	S	*	*			trans	-102.4	146.6	-177.3	0	0	0	0	0	112.1
385	L	41	Very low	46.4	Very low	70 Å²	70	108.4 Å²	108.4	37%	0.366	57%	0.569	S	S	.	*			trans	-102.8	140.2	-179.9	-115.9	81.7	0	0	0	113.2	C481 V484	L385-C481 HydrophobicContact CD1-CB 3.43Å; L385-C481 VanDerWaalsContact CD1-CB 3.43Å; L385-C481 WeakPolarHBondContact CD1-SG 3.42Å; L385-C481 HydrophobicContact CD2-CB 3.37Å; L385-C481 VanDerWaalsContact CD2-SG 3.52Å; L385-C481 HydrophobicContact CG-CB 3.86Å; L385-V484 HydrophobicContact CD2-CG2 4.25Å
386	T	37.7	Very low	48	Very low	122 Å²	122	105.2 Å²	105.2	75%	0.748	55%	0.551	S	S	*	*			trans	-93.7	106.8	173.4	47.2	0	0	0	0	111
387	F	47.7	Very low	50	Low	98 Å²	98	97.8 Å²	97.8	43%	0.43	52%	0.52	S	S	.	.			trans	-96.4	-4.5	-173.6	-166.1	-100.3	0	0	0	114.6	F391 G411 L412 V484	F387-F391 HydrophobicContact CE1-CD2 4.29Å; F387-F391 AromaticContact CE1-CE2 3.91Å; F387-F391 HydrophobicContact CE1-CE2 3.91Å; F387-F391 HydrophobicContact CZ-CE2 4.19Å; F387-G411 WeakPolarHBondContact CZ-O 3.42Å; F387-L412 HydrophobicContact CE2-CD2 3.59Å; F387-L412 HydrophobicContact CE2-CG 4.48Å; F387-L412 HydrophobicContact CZ-CD2 4.14Å; F387-V484 HydrophobicContact CD2-CG1 3.72Å; F387-V484 HydrophobicContact CE2-CG1 3.74Å
388	Q	46.2	Very low	51.9	Low	165 Å²	165	91.9 Å²	91.9	77%	0.771	50%	0.496	S	S	*	.			trans	-100.6	-6.6	-146.2	-158.1	150.7	-16.2	0	0	118.1
389	E	49.7	Very low	54.2	Low	154 Å²	154	85.7 Å²	85.7	72%	0.72	47%	0.472	S	S	*	.	S	Bend	trans	-92	-23.7	-169.9	-72.4	-173	157.8	0	0	116.6	T392	E389-T392 PolarHBondContact O-OG1 3.17Å
390	V	55.3	Low	57	Low	17 Å²	17	82.4 Å²	82.4	10%	0.103	44%	0.443	C	S	.	.	H	α-helix	trans	-77.8	-39.2	-172.4	-173.8	0	0	0	0	112.2	T392 M398 C399 I413 C485	V390-T392 VanDerWaalsContact C-N 3.26Å; V390-T392 PolarHBondContact O-N 3.49Å; V390-M398 HydrophobicContact CB-CE 4.32Å; V390-M398 HydrophobicContact CG1-CE 4.44Å; V390-M398 HydrophobicContact CG2-CE 4.27Å; V390-C399 WeakPolarHBondContact CG2-SG 3.45Å; V390-I413 HydrophobicContact CG1-CD1 4.27Å; V390-C485 HydrophobicContact CG2-CB 4.44Å
391	F	57.3	Low	59.6	Low	110 Å²	110	78.4 Å²	78.4	48%	0.482	42%	0.422	S	S	.	.	H	α-helix	trans	-70.8	-21.9	-177	-75.2	-72.7	0	0	0	113.7	F387 G411 I413	F387-F391 HydrophobicContact CE1-CD2 4.29Å; F387-F391 AromaticContact CE1-CE2 3.91Å; F387-F391 HydrophobicContact CE1-CE2 3.91Å; F387-F391 HydrophobicContact CZ-CE2 4.19Å; F391-G411 VanDerWaalsContact CE2-O 3.28Å; F391-G411 WeakPolarHBondContact CE2-O 3.34Å; F391-G411 WeakPolarHBondContact CZ-O 3.27Å; F391-I413 HydrophobicContact CZ-CG1 4.3Å
392	T	57.8	Low	62.7	Low	106 Å²	106	68.6 Å²	68.6	65%	0.65	38%	0.384	S	S	*	.	H	α-helix	trans	-85.9	-30.8	-175.8	54.2	0	0	0	0	113.1	E389 V390	E389-T392 PolarHBondContact O-OG1 3.17Å; V390-T392 VanDerWaalsContact C-N 3.26Å; V390-T392 PolarHBondContact O-N 3.49Å
393	T	65.6	Low	65.5	Low	74 Å²	74	62.7 Å²	62.7	45%	0.454	35%	0.345	S	S	.	.	H	α-helix	trans	-96.5	-20.5	-173.3	60.9	0	0	0	0	114.2	N395 M398	T393-N395 PolarHBondContact O-N 2.91Å; T393-N395 VanDerWaalsContact O-N 3.11Å; T393-N395 PolarHBondContact OG1-N 3.5Å; T393-M398 HydrophobicContact CG2-CE 4.42Å; T393-M398 WeakPolarHBondContact OG1-CE 3.39Å
394	G	74.5	Confident	68.4	Low	12 Å²	12	59 Å²	59	12%	0.124	32%	0.317	C	S	.	.			trans	69	-1.4	-172.2	0	0	0	0	0	114.4	M194 Y195 Q396	M194-G394 WeakPolarHBondContact CA-O 3.37Å; Y195-G394 PolarHBondContact N-O 3.33Å; Y195-G394 VanDerWaalsContact N-O 3.07Å; G394-Q396 PolarHBondContact O-N 3.47Å
395	N	84.3	Confident	71.3	Confident	32 Å²	32	54.5 Å²	54.5	17%	0.171	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-80.6	103.4	-178.4	-176.6	3.8	0	0	0	111	Y195 T393 D397 M398	Y195-N395 HydrophobicContact CE1-CB 3.94Å; Y195-N395 HydrophobicContact CE2-CB 4.31Å; Y195-N395 WeakPolarHBondContact CE2-OD1 3.3Å; Y195-N395 WeakPolarHBondContact OH-CB 3.38Å; Y195-N395 PolarHBondContact OH-ND2 3.21Å; T393-N395 PolarHBondContact O-N 2.91Å; T393-N395 VanDerWaalsContact O-N 3.11Å; T393-N395 PolarHBondContact OG1-N 3.5Å; N395-D397 VanDerWaalsContact C-N 3.25Å; N395-D397 PolarHBondContact O-N 3.24Å; N395-D397 VanDerWaalsContact OD1-CB 3.26Å; N395-D397 WeakPolarHBondContact OD1-CB 3.48Å; N395-D397 PolarHBondContact OD1-N 2.9Å; N395-M398 HydrophobicContact CB-CE 4.26Å; N395-M398 HydrophobicContact CB-CG 4.18Å; N395-M398 HydrophobicContact CB-SD 4.43Å
396	Q	85.6	Confident	73.6	Confident	19 Å²	19	51.3 Å²	51.3	9%	0.089	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2	179	-61.6	-67.2	-34.8	0	0	112.9	M194 Y195 Q196 G394 M398 F403 R695	M194-Q396 HydrophobicContact CB-CG 4.47Å; M194-Q396 HydrophobicContact CE-CG 4.1Å; Y195-Q396 WeakPolarHBondContact O-CB 3.35Å; Y195-Q396 PolarHBondContact O-N 2.93Å; Q196-Q396 HydrophobicContact CG-CB 3.48Å; Q196-Q396 VanDerWaalsContact CG-CB 3.48Å; Q196-Q396 HydrophobicContact CG-CG 4.24Å; G394-Q396 PolarHBondContact O-N 3.47Å; Q396-M398 VanDerWaalsContact C-N 3.31Å; Q396-F403 HydrophobicContact CB-CE1 4.41Å; Q396-F403 HydrophobicContact CB-CZ 4.15Å; Q396-F403 WeakPolarHBondContact O-CZ 3.22Å; Q396-R695 PolarHBondContact O-NH2 2.84Å
397	D	85.3	Confident	76.1	Confident	27 Å²	27	46.1 Å²	46.1	14%	0.144	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-9.6	173	-64.5	-14.9	0	0	0	113	Q196 T197 N395 A691 R695	Q196-D397 WeakPolarHBondContact CA-OD1 3.44Å; T197-D397 WeakPolarHBondContact CB-OD2 3.26Å; T197-D397 WeakPolarHBondContact CG2-OD2 3.5Å; T197-D397 PolarHBondContact N-OD1 3.17Å; T197-D397 PolarHBondContact N-OD2 3.43Å; T197-D397 PolarHBondContact OG1-OD1 2.93Å; T197-D397 PolarHBondContact OG1-OD2 2.9Å; N395-D397 VanDerWaalsContact C-N 3.25Å; N395-D397 PolarHBondContact O-N 3.24Å; N395-D397 VanDerWaalsContact OD1-CB 3.26Å; N395-D397 WeakPolarHBondContact OD1-CB 3.48Å; N395-D397 PolarHBondContact OD1-N 2.9Å; D397-A691 HydrophobicContact CB-CB 3.67Å; D397-R695 IonicContact OD1-CZ 3.96Å; D397-R695 IonicContact OD1-NH1 3.62Å; D397-R695 PolarHBondContact OD1-NH1 3.26Å; D397-R695 IonicContact OD1-NH2 3.72Å; D397-R695 PolarHBondContact OD1-NH2 2.88Å
398	M	83.3	Confident	77.9	Confident	56 Å²	56	42.5 Å²	42.5	28%	0.276	22%	0.217	S	C	.	.	S	Bend	trans	-74	-32.5	-178.8	-63.6	-167.6	-61.5	0	0	113.2	V390 T393 N395 Q396	V390-M398 HydrophobicContact CB-CE 4.32Å; V390-M398 HydrophobicContact CG1-CE 4.44Å; V390-M398 HydrophobicContact CG2-CE 4.27Å; T393-M398 HydrophobicContact CG2-CE 4.42Å; T393-M398 WeakPolarHBondContact OG1-CE 3.39Å; N395-M398 HydrophobicContact CB-CE 4.26Å; N395-M398 HydrophobicContact CB-CG 4.18Å; N395-M398 HydrophobicContact CB-SD 4.43Å; Q396-M398 VanDerWaalsContact C-N 3.31Å
399	C	85.6	Confident	79.7	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.007	19%	0.192	C	C	.	.	S	Bend	trans	-119	136.6	-178.4	-48.3	0	0	0	0	109.9	V390 Y401 C485	V390-C399 WeakPolarHBondContact CG2-SG 3.45Å; C399-Y401 HydrophobicContact CB-CD2 3.99Å; C399-Y401 HydrophobicContact CB-CE2 3.28Å; C399-Y401 PolarHBondContact O-N 3.26Å; C399-C485 HydrophobicContact CB-CB 4.04Å; C399-C485 WeakPolarHBondContact CB-SG 3.35Å; C399-C485 WeakPolarHBondContact SG-CB 3.11Å; C399-C485 CovalentContact SG-SG 2.04Å; C399-C485 PolarHBondContact SG-SG 3.09Å
400	Y	87.1	Confident	81.1	Confident	42 Å²	42	36.5 Å²	36.5	17%	0.165	19%	0.192	C	C	.	.			trans	-102	80.9	-171.8	-70.3	-109.8	0	0	0	110.6	P486 S686 W687 V689 A691	Y400-P486 VanDerWaalsContact C-CG 3.5Å; Y400-P486 PolarHBondContact N-O 3.03Å; Y400-P486 WeakPolarHBondContact O-CG 3.39Å; Y400-S686 WeakPolarHBondContact CD1-O 3.34Å; Y400-W687 HydrophobicContact CD1-CB 4.35Å; Y400-W687 HydrophobicContact CD2-CB 4.26Å; Y400-W687 HydrophobicContact CG-CB 4.17Å; Y400-V689 WeakPolarHBondContact CE1-O 3.07Å; Y400-A691 HydrophobicContact CE1-CB 4.21Å; Y400-A691 PolarHBondContact OH-N 3.02Å
401	Y	88.9	Confident	82.1	Confident	6 Å²	6	37.8 Å²	37.8	2%	0.024	21%	0.209	C	C	.	.			trans	-95.1	158.3	175.8	-51.5	-80.7	0	0	0	111.9	C399 F403 I413 A414 H483 V484 C485 P486 N698	C399-Y401 HydrophobicContact CB-CD2 3.99Å; C399-Y401 HydrophobicContact CB-CE2 3.28Å; C399-Y401 PolarHBondContact O-N 3.26Å; Y401-F403 HydrophobicContact CD2-CD1 4.38Å; Y401-F403 AromaticContact CD2-CE1 3.67Å; Y401-F403 HydrophobicContact CD2-CE1 3.67Å; Y401-F403 HydrophobicContact CD2-CE2 4.26Å; Y401-F403 AromaticContact CD2-CZ 3.61Å; Y401-F403 HydrophobicContact CD2-CZ 3.61Å; Y401-F403 HydrophobicContact CE2-CE1 4.44Å; Y401-F403 HydrophobicContact CE2-CZ 4.43Å; Y401-F403 VanDerWaalsContact O-CD2 3.29Å; Y401-F403 WeakPolarHBondContact O-CD2 3.44Å; Y401-F403 PolarHBondContact O-N 3.41Å; Y401-I413 HydrophobicContact CD2-CG2 4.4Å; Y401-I413 HydrophobicContact CE2-CB 4.37Å; Y401-I413 HydrophobicContact CE2-CD1 4.23Å; Y401-I413 HydrophobicContact CE2-CG2 4.3Å; Y401-A414 HydrophobicContact CD1-CB 3.62Å; Y401-A414 HydrophobicContact CE1-CB 4.06Å; Y401-A414 HydrophobicContact CG-CB 4.3Å; Y401-H483 WeakPolarHBondContact CE1-O 3.43Å; Y401-V484 PolarHBondContact OH-O 3.14Å; Y401-C485 WeakPolarHBondContact OH-CA 3.13Å; Y401-P486 HydrophobicContact CD1-CG 3.77Å; Y401-P486 HydrophobicContact CE1-CG 3.92Å; Y401-P486 HydrophobicContact CG-CG 4.34Å; Y401-N698 PolarHBondContact O-OD1 3.19Å
402	N	92.1	Very high	83.2	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.193	C	C	.	.			trans	-71.9	80.5	154.1	-177.1	8.3	0	0	0	109.3	E404 C405 A406 Q684 N698 G699 D708	N402-E404 PolarHBondContact O-N 3.48Å; N402-E404 VanDerWaalsContact O-N 3.14Å; N402-E404 PolarHBondContact OD1-N 2.98Å; N402-C405 WeakPolarHBondContact ND2-CB 3.27Å; N402-C405 CarbonylContact O-C 3.52Å; N402-C405 VanDerWaalsContact O-C 3.29Å; N402-C405 PolarHBondContact O-N 3.38Å; N402-A406 PolarHBondContact O-N 2.86Å; N402-Q684 HydrophobicContact CB-CB 4.48Å; N402-N698 WeakPolarHBondContact CA-OD1 3.34Å; N402-N698 WeakPolarHBondContact OD1-CA 3.49Å; N402-N698 VanDerWaalsContact OD1-CB 3.3Å; N402-N698 WeakPolarHBondContact OD1-CB 3.41Å; N402-G699 PolarHBondContact ND2-O 3.33Å; N402-G699 PolarHBondContact OD1-N 3.06Å; N402-G699 PolarHBondContact OD1-O 3.09Å; N402-D708 PolarHBondContact ND2-OD2 3.33Å
403	F	90.5	Very high	84.5	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.018	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-61.8	-20.9	-177.2	-69.7	-82.3	0	0	0	113.3	Q196 S203 Q396 Y401 C405 R695 N698	Q196-F403 VanDerWaalsContact NE2-CE1 3.35Å; S203-F403 VanDerWaalsContact O-CB 3.29Å; S203-F403 WeakPolarHBondContact O-CB 3.44Å; S203-F403 PolarHBondContact OG-O 2.79Å; Q396-F403 HydrophobicContact CB-CE1 4.41Å; Q396-F403 HydrophobicContact CB-CZ 4.15Å; Q396-F403 WeakPolarHBondContact O-CZ 3.22Å; Y401-F403 HydrophobicContact CD2-CD1 4.38Å; Y401-F403 AromaticContact CD2-CE1 3.67Å; Y401-F403 HydrophobicContact CD2-CE1 3.67Å; Y401-F403 HydrophobicContact CD2-CE2 4.26Å; Y401-F403 AromaticContact CD2-CZ 3.61Å; Y401-F403 HydrophobicContact CD2-CZ 3.61Å; Y401-F403 HydrophobicContact CE2-CE1 4.44Å; Y401-F403 HydrophobicContact CE2-CZ 4.43Å; Y401-F403 VanDerWaalsContact O-CD2 3.29Å; Y401-F403 WeakPolarHBondContact O-CD2 3.44Å; Y401-F403 PolarHBondContact O-N 3.41Å; F403-C405 VanDerWaalsContact C-N 3.32Å; F403-R695 HydrophobicContact CD2-CG 4.42Å; F403-N698 PolarHBondContact N-ND2 2.81Å
404	E	89.9	Confident	85.5	Confident	29 Å²	29	26.8 Å²	26.8	14%	0.136	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-70.8	-30.1	176.6	-170.7	175.3	158	0	0	111.9	R162 K201 N402 N698 A700	R162-E404 VanDerWaalsContact CZ-CD 3.44Å; R162-E404 IonicContact CZ-OE1 3.31Å; R162-E404 IonicContact CZ-OE2 2.84Å; R162-E404 VanDerWaalsContact NH1-CD 3.27Å; R162-E404 IonicContact NH1-OE1 2.89Å; R162-E404 PolarHBondContact NH1-OE1 3.21Å; R162-E404 IonicContact NH2-OE1 3.08Å; R162-E404 PolarHBondContact NH2-OE1 3.09Å; R162-E404 IonicContact NH2-OE2 3.22Å; R162-E404 PolarHBondContact NH2-OE2 2.71Å; K201-E404 IonicContact NZ-OE2 3.42Å; N402-E404 PolarHBondContact O-N 3.48Å; N402-E404 VanDerWaalsContact O-N 3.14Å; N402-E404 PolarHBondContact OD1-N 2.98Å; E404-N698 HydrophobicContact CB-CB 4.08Å; E404-A700 WeakPolarHBondContact OE1-CA 3.48Å; E404-A700 PolarHBondContact OE1-N 3.27Å
405	C	91.6	Very high	86.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-119.6	41.7	175.2	-167.9	0	0	0	0	111.9	N402 F403 N416 C701 D708	N402-C405 WeakPolarHBondContact ND2-CB 3.27Å; N402-C405 CarbonylContact O-C 3.52Å; N402-C405 VanDerWaalsContact O-C 3.29Å; N402-C405 PolarHBondContact O-N 3.38Å; F403-C405 VanDerWaalsContact C-N 3.32Å; C405-N416 PolarHBondContact O-ND2 3.07Å; C405-N416 PolarHBondContact O-OD1 2.95Å; C405-C701 WeakPolarHBondContact CA-SG 3.36Å; C405-C701 HydrophobicContact CB-CB 4.09Å; C405-C701 WeakPolarHBondContact CB-SG 3.25Å; C405-C701 WeakPolarHBondContact SG-CA 3.49Å; C405-C701 WeakPolarHBondContact SG-CB 3.18Å; C405-C701 CovalentContact SG-SG 2.02Å; C405-C701 PolarHBondContact SG-SG 2.77Å; C405-D708 HydrophobicContact CB-CB 4.02Å
406	A	89.3	Confident	86.7	Confident	2 Å²	2	26 Å²	26	2%	0.017	14%	0.14	C	C	.	.			trans	-103.1	118	176.6	0	0	0	0	0	110.9	N402 A414	N402-A406 PolarHBondContact O-N 2.86Å; A406-A414 HydrophobicContact CB-CB 4.08Å
407	H	89.6	Confident	86.9	Confident	14 Å²	14	25.1 Å²	25.1	7%	0.065	14%	0.136	C	C	.	.			trans	-106.5	115.2	177.7	-68	-71.1	0	0	0	111.2	I413 F415 N416 K705 F706	H407-I413 CarbonylContact C-O 3.59Å; H407-I413 VanDerWaalsContact C-O 3.26Å; H407-F415 VanDerWaalsContact O-CB 3.27Å; H407-F415 WeakPolarHBondContact O-CB 3.37Å; H407-F415 PolarHBondContact O-N 3.47Å; H407-N416 PolarHBondContact N-OD1 2.73Å; H407-K705 PolarHBondContact NE2-O 3.32Å; H407-K705 VanDerWaalsContact NE2-O 3.13Å; H407-F706 HydrophobicContact CB-CD2 4.17Å; H407-F706 HydrophobicContact CB-CE2 3.76Å; H407-F706 AromaticContact CD2-CD2 3.47Å; H407-F706 VanDerWaalsContact CD2-CD2 3.47Å; H407-F706 WeakPolarHBondContact CD2-CD2 3.3Å; H407-F706 AromaticContact CD2-CE2 3.94Å; H407-F706 AromaticContact CG-CD2 3.74Å; H407-F706 AromaticContact CG-CE2 3.87Å
408	P	86.7	Confident	87.3	Confident	22 Å²	22	25.3 Å²	25.3	14%	0.143	14%	0.138	C	C	.	.			trans	-77.1	135.8	-178.8	30.7	-35.5	0	0	0	112	Y158 T205 L412 I413	Y158-P408 HydrophobicContact CD1-CB 4.42Å; Y158-P408 HydrophobicContact CD1-CG 3.47Å; Y158-P408 VanDerWaalsContact CD1-CG 3.47Å; Y158-P408 HydrophobicContact CD2-CG 4.4Å; Y158-P408 HydrophobicContact CE1-CB 3.89Å; Y158-P408 HydrophobicContact CE1-CG 3.39Å; Y158-P408 HydrophobicContact CE2-CG 4.38Å; Y158-P408 HydrophobicContact CG-CG 3.98Å; T205-P408 HydrophobicContact CG2-CG 3.85Å; P408-L412 CarbonylContact C-O 3.59Å; P408-L412 WeakPolarHBondContact CA-O 3.47Å; P408-I413 WeakPolarHBondContact CA-O 3.45Å
409	F	84.5	Confident	87.8	Confident	53 Å²	53	24 Å²	24	23%	0.232	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-159.1	143.2	172.5	-176	-122.2	0	0	0	111.2	F258 F261 G411 L412 F415	F258-F409 HydrophobicContact CD2-CD2 4.05Å; F258-F409 AromaticContact CD2-CE2 3.73Å; F258-F409 HydrophobicContact CD2-CE2 3.73Å; F258-F409 HydrophobicContact CD2-CZ 4.46Å; F258-F409 AromaticContact CE2-CD2 3.78Å; F258-F409 HydrophobicContact CE2-CD2 3.78Å; F258-F409 HydrophobicContact CE2-CE1 4.33Å; F258-F409 AromaticContact CE2-CE2 3.13Å; F258-F409 HydrophobicContact CE2-CE2 3.13Å; F258-F409 AromaticContact CE2-CZ 3.46Å; F258-F409 HydrophobicContact CE2-CZ 3.46Å; F258-F409 VanDerWaalsContact CE2-CZ 3.46Å; F258-F409 HydrophobicContact CZ-CE2 4.03Å; F258-F409 HydrophobicContact CZ-CZ 4.02Å; F261-F409 HydrophobicContact CE2-CB 4.49Å; F261-F409 HydrophobicContact CE2-CD1 4.44Å; F261-F409 HydrophobicContact CE2-CD2 4.26Å; F261-F409 HydrophobicContact CE2-CG 4.15Å; F261-F409 HydrophobicContact CZ-CB 4.12Å; F261-F409 AromaticContact CZ-CD2 3.71Å; F261-F409 HydrophobicContact CZ-CD2 3.71Å; F261-F409 HydrophobicContact CZ-CE2 4.33Å; F261-F409 AromaticContact CZ-CG 3.9Å; F261-F409 HydrophobicContact CZ-CG 3.9Å; F409-G411 PolarHBondContact O-N 3.41Å; F409-G411 VanDerWaalsContact O-N 3.14Å; F409-L412 PolarHBondContact N-O 3.43Å; F409-L412 WeakPolarHBondContact O-CB 3.37Å; F409-L412 PolarHBondContact O-N 3.01Å; F409-F415 HydrophobicContact CB-CB 3.75Å; F409-F415 HydrophobicContact CB-CD1 4.12Å; F409-F415 HydrophobicContact CB-CD2 4.11Å; F409-F415 HydrophobicContact CB-CG 3.72Å; F409-F415 HydrophobicContact CD1-CD1 4.15Å; F409-F415 AromaticContact CD1-CD2 3.8Å; F409-F415 HydrophobicContact CD1-CD2 3.8Å; F409-F415 HydrophobicContact CD1-CE1 4.1Å; F409-F415 AromaticContact CD1-CE2 3.72Å; F409-F415 HydrophobicContact CD1-CE2 3.72Å; F409-F415 HydrophobicContact CD1-CG 4.02Å; F409-F415 AromaticContact CD1-CZ 3.88Å; F409-F415 HydrophobicContact CD1-CZ 3.88Å; F409-F415 HydrophobicContact CE1-CE2 4.4Å; F409-F415 HydrophobicContact CE1-CZ 4.39Å; F409-F415 HydrophobicContact CG-CD2 4.47Å; F409-F415 HydrophobicContact CG-CG 4.37Å
410	L	78.4	Confident	88.2	Confident	139 Å²	139	24 Å²	24	73%	0.728	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	36.7	179.3	-72.4	170.3	0	0	0	114.8	L412	L410-L412 VanDerWaalsContact C-N 3.27Å; L410-L412 PolarHBondContact O-N 3.07Å
411	G	75.9	Confident	88.6	Confident	45 Å²	45	22.1 Å²	22.1	46%	0.464	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	5	-178.3	0	0	0	0	0	114.8	F387 F391 F409	F387-G411 WeakPolarHBondContact CZ-O 3.42Å; F391-G411 VanDerWaalsContact CE2-O 3.28Å; F391-G411 WeakPolarHBondContact CE2-O 3.34Å; F391-G411 WeakPolarHBondContact CZ-O 3.27Å; F409-G411 PolarHBondContact O-N 3.41Å; F409-G411 VanDerWaalsContact O-N 3.14Å
412	L	81.8	Confident	88.9	Confident	28 Å²	28	23.3 Å²	23.3	15%	0.147	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-93.4	137.6	169.8	-66	167.9	0	0	0	109.9	F387 P408 F409 L410 F415 V418 V484	F387-L412 HydrophobicContact CE2-CD2 3.59Å; F387-L412 HydrophobicContact CE2-CG 4.48Å; F387-L412 HydrophobicContact CZ-CD2 4.14Å; P408-L412 CarbonylContact C-O 3.59Å; P408-L412 WeakPolarHBondContact CA-O 3.47Å; F409-L412 PolarHBondContact N-O 3.43Å; F409-L412 WeakPolarHBondContact O-CB 3.37Å; F409-L412 PolarHBondContact O-N 3.01Å; L410-L412 VanDerWaalsContact C-N 3.27Å; L410-L412 PolarHBondContact O-N 3.07Å; L412-F415 HydrophobicContact CB-CB 4.36Å; L412-F415 HydrophobicContact CD1-CD2 4Å; L412-V418 HydrophobicContact CD1-CB 4.39Å; L412-V418 HydrophobicContact CD1-CG1 4.3Å; L412-V418 HydrophobicContact CD1-CG2 4.31Å; L412-V484 HydrophobicContact CD2-CB 4.28Å; L412-V484 HydrophobicContact CD2-CG1 3.83Å; L412-V484 HydrophobicContact CD2-CG2 3.84Å
413	I	83.9	Confident	89.1	Confident	28 Å²	28	23.2 Å²	23.2	14%	0.144	13%	0.131	C	C	.	.	S	Bend	trans	-74.9	-44	179	-64	173.1	0	0	0	111.4	V390 F391 Y401 H407 P408	V390-I413 HydrophobicContact CG1-CD1 4.27Å; F391-I413 HydrophobicContact CZ-CG1 4.3Å; Y401-I413 HydrophobicContact CD2-CG2 4.4Å; Y401-I413 HydrophobicContact CE2-CB 4.37Å; Y401-I413 HydrophobicContact CE2-CD1 4.23Å; Y401-I413 HydrophobicContact CE2-CG2 4.3Å; H407-I413 CarbonylContact C-O 3.59Å; H407-I413 VanDerWaalsContact C-O 3.26Å; P408-I413 WeakPolarHBondContact CA-O 3.45Å
414	A	87.6	Confident	89.5	Confident	3 Å²	3	23.4 Å²	23.4	3%	0.025	13%	0.132	C	C	.	.	S	Bend	trans	-118.5	67.4	-179.5	0	0	0	0	0	110.2	Y401 A406 N416 N417 V418	Y401-A414 HydrophobicContact CD1-CB 3.62Å; Y401-A414 HydrophobicContact CE1-CB 4.06Å; Y401-A414 HydrophobicContact CG-CB 4.3Å; A406-A414 HydrophobicContact CB-CB 4.08Å; A414-N416 VanDerWaalsContact C-N 3.27Å; A414-N416 PolarHBondContact O-N 2.91Å; A414-N417 HydrophobicContact CB-CB 4.31Å; A414-N417 PolarHBondContact O-N 3.29Å; A414-V418 PolarHBondContact O-N 3.41Å
415	F	90.8	Very high	89.8	Confident	26 Å²	26	23.8 Å²	23.8	11%	0.114	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-36.7	-176.7	171.8	-95.5	0	0	0	112.4	I265 H407 F409 L412 N417 V418 F419 F706	I265-F415 HydrophobicContact CD1-CE1 3.58Å; I265-F415 HydrophobicContact CD1-CZ 4.21Å; I265-F415 HydrophobicContact CG1-CE1 4.36Å; H407-F415 VanDerWaalsContact O-CB 3.27Å; H407-F415 WeakPolarHBondContact O-CB 3.37Å; H407-F415 PolarHBondContact O-N 3.47Å; F409-F415 HydrophobicContact CB-CB 3.75Å; F409-F415 HydrophobicContact CB-CD1 4.12Å; F409-F415 HydrophobicContact CB-CD2 4.11Å; F409-F415 HydrophobicContact CB-CG 3.72Å; F409-F415 HydrophobicContact CD1-CD1 4.15Å; F409-F415 AromaticContact CD1-CD2 3.8Å; F409-F415 HydrophobicContact CD1-CD2 3.8Å; F409-F415 HydrophobicContact CD1-CE1 4.1Å; F409-F415 AromaticContact CD1-CE2 3.72Å; F409-F415 HydrophobicContact CD1-CE2 3.72Å; F409-F415 HydrophobicContact CD1-CG 4.02Å; F409-F415 AromaticContact CD1-CZ 3.88Å; F409-F415 HydrophobicContact CD1-CZ 3.88Å; F409-F415 HydrophobicContact CE1-CE2 4.4Å; F409-F415 HydrophobicContact CE1-CZ 4.39Å; F409-F415 HydrophobicContact CG-CD2 4.47Å; F409-F415 HydrophobicContact CG-CG 4.37Å; L412-F415 HydrophobicContact CB-CB 4.36Å; L412-F415 HydrophobicContact CD1-CD2 4Å; F415-N417 VanDerWaalsContact C-N 3.33Å; F415-N417 PolarHBondContact O-N 2.85Å; F415-V418 PolarHBondContact O-N 2.9Å; F415-F419 HydrophobicContact CD1-CB 4.33Å; F415-F419 HydrophobicContact CE1-CB 3.84Å; F415-F419 HydrophobicContact CE1-CD2 4.38Å; F415-F419 HydrophobicContact CE1-CG 4.1Å; F415-F419 HydrophobicContact CE2-CB 4.49Å; F415-F419 HydrophobicContact CZ-CB 3.94Å; F415-F419 HydrophobicContact CZ-CD2 4.01Å; F415-F419 HydrophobicContact CZ-CG 4.15Å; F415-F419 VanDerWaalsContact O-CB 3.3Å; F415-F419 WeakPolarHBondContact O-CB 3.41Å; F415-F419 PolarHBondContact O-N 2.95Å; F415-F706 HydrophobicContact CD1-CZ 4.23Å
416	N	92.5	Very high	90.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-55.6	-45.5	176.1	53.9	-56.8	0	0	0	112.1	C405 H407 A414 V418 F419 S420 F706 Y707 D711	C405-N416 PolarHBondContact O-ND2 3.07Å; C405-N416 PolarHBondContact O-OD1 2.95Å; H407-N416 PolarHBondContact N-OD1 2.73Å; A414-N416 VanDerWaalsContact C-N 3.27Å; A414-N416 PolarHBondContact O-N 2.91Å; N416-V418 VanDerWaalsContact C-N 3.35Å; N416-V418 PolarHBondContact O-N 3.2Å; N416-F419 PolarHBondContact O-N 3.01Å; N416-S420 WeakPolarHBondContact O-CB 3.32Å; N416-S420 PolarHBondContact O-N 3.27Å; N416-S420 PolarHBondContact O-OG 3.44Å; N416-F706 HydrophobicContact CB-CD1 4.07Å; N416-F706 HydrophobicContact CB-CD2 4.49Å; N416-F706 HydrophobicContact CB-CE1 3.62Å; N416-F706 HydrophobicContact CB-CE2 4.08Å; N416-F706 HydrophobicContact CB-CG 4.5Å; N416-F706 HydrophobicContact CB-CZ 3.63Å; N416-F706 WeakPolarHBondContact CB-O 3.44Å; N416-F706 PolarHBondContact ND2-O 2.84Å; N416-F706 VanDerWaalsContact ND2-O 3.13Å; N416-Y707 HydrophobicContact CB-CD1 4.41Å; N416-D711 PolarHBondContact ND2-OD2 2.86Å
417	N	90.6	Very high	90.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-68.3	-30.2	178.2	-64.9	31.1	0	0	0	113.8	A414 F415 S420 N421 H483 D711	A414-N417 HydrophobicContact CB-CB 4.31Å; A414-N417 PolarHBondContact O-N 3.29Å; F415-N417 VanDerWaalsContact C-N 3.33Å; F415-N417 PolarHBondContact O-N 2.85Å; N417-S420 PolarHBondContact O-OG 3.27Å; N417-N421 PolarHBondContact O-ND2 3.31Å; N417-H483 HydrophobicContact CB-CB 4.29Å; N417-D711 WeakPolarHBondContact CA-OD1 3.15Å; N417-D711 PolarHBondContact OD1-OD1 2.86Å; N417-D711 PolarHBondContact OD1-OD2 2.97Å
418	V	92.1	Very high	90.8	Very high	31 Å²	31	25 Å²	25	19%	0.188	14%	0.142	C	C	.	.	H	α-helix	trans	-74	-45.1	172.7	179.3	0	0	0	0	109.8	L412 A414 F415 N416 S420 N421 H483 V484	L412-V418 HydrophobicContact CD1-CB 4.39Å; L412-V418 HydrophobicContact CD1-CG1 4.3Å; L412-V418 HydrophobicContact CD1-CG2 4.31Å; A414-V418 PolarHBondContact O-N 3.41Å; F415-V418 PolarHBondContact O-N 2.9Å; N416-V418 VanDerWaalsContact C-N 3.35Å; N416-V418 PolarHBondContact O-N 3.2Å; V418-S420 PolarHBondContact O-N 3.02Å; V418-N421 WeakPolarHBondContact O-CB 3.25Å; V418-N421 PolarHBondContact O-N 3.42Å; V418-N421 PolarHBondContact O-ND2 3.43Å; V418-H483 HydrophobicContact CG2-CB 4.08Å; V418-V484 HydrophobicContact CG2-CG2 4.2Å
419	F	94.1	Very high	91.3	Very high	30 Å²	30	27.1 Å²	27.1	13%	0.132	15%	0.152	C	C	.	.	H	α-helix	trans	-68.3	-31	-177.3	-177.9	-102.3	0	0	0	113.1	I265 T268 L269 F415 N416 N421 V422 Y707	I265-F419 HydrophobicContact CB-CE1 4.46Å; I265-F419 HydrophobicContact CB-CZ 4.44Å; I265-F419 HydrophobicContact CG1-CE1 4.3Å; I265-F419 HydrophobicContact CG2-CE1 4.15Å; I265-F419 HydrophobicContact CG2-CE2 4.05Å; I265-F419 HydrophobicContact CG2-CZ 3.65Å; T268-F419 HydrophobicContact CG2-CE1 3.99Å; L269-F419 HydrophobicContact CD2-CZ 4.07Å; L269-F419 HydrophobicContact CG-CZ 4.17Å; F415-F419 HydrophobicContact CD1-CB 4.33Å; F415-F419 HydrophobicContact CE1-CB 3.84Å; F415-F419 HydrophobicContact CE1-CD2 4.38Å; F415-F419 HydrophobicContact CE1-CG 4.1Å; F415-F419 HydrophobicContact CE2-CB 4.49Å; F415-F419 HydrophobicContact CZ-CB 3.94Å; F415-F419 HydrophobicContact CZ-CD2 4.01Å; F415-F419 HydrophobicContact CZ-CG 4.15Å; F415-F419 VanDerWaalsContact O-CB 3.3Å; F415-F419 WeakPolarHBondContact O-CB 3.41Å; F415-F419 PolarHBondContact O-N 2.95Å; N416-F419 PolarHBondContact O-N 3.01Å; F419-N421 PolarHBondContact O-N 2.83Å; F419-N421 VanDerWaalsContact O-N 3.08Å; F419-V422 HydrophobicContact CE1-CG1 4.2Å; F419-V422 HydrophobicContact CE2-CB 4.32Å; F419-V422 HydrophobicContact CE2-CG1 4.16Å; F419-V422 HydrophobicContact CE2-CG2 4.41Å; F419-V422 HydrophobicContact CZ-CG1 3.96Å; F419-V422 WeakPolarHBondContact O-CB 3.33Å; F419-V422 WeakPolarHBondContact O-CG1 3.37Å; F419-V422 PolarHBondContact O-N 2.89Å; F419-Y707 HydrophobicContact CD1-CE1 4.45Å; F419-Y707 WeakPolarHBondContact CD1-OH 3.47Å; F419-Y707 WeakPolarHBondContact CE1-OH 3.5Å
420	S	95.1	Very high	91.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.6	179.2	53.4	0	0	0	0	113.2	N416 N417 V418 V422 D711 H714 F715	N416-S420 WeakPolarHBondContact O-CB 3.32Å; N416-S420 PolarHBondContact O-N 3.27Å; N416-S420 PolarHBondContact O-OG 3.44Å; N417-S420 PolarHBondContact O-OG 3.27Å; V418-S420 PolarHBondContact O-N 3.02Å; S420-V422 VanDerWaalsContact C-N 3.27Å; S420-V422 PolarHBondContact O-N 2.82Å; S420-D711 WeakPolarHBondContact CB-OD1 3.39Å; S420-D711 PolarHBondContact OG-OD1 3.47Å; S420-H714 PolarHBondContact OG-ND1 3Å; S420-F715 VanDerWaalsContact CA-CE1 3.45Å; S420-F715 VanDerWaalsContact O-CD1 3.27Å; S420-F715 WeakPolarHBondContact O-CD1 3.33Å; S420-F715 WeakPolarHBondContact O-CE1 3.37Å
421	N	95.1	Very high	92.8	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.011	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-11.2	173.3	-69.2	-78.4	0	0	0	115.4	N417 V418 F419 G423 Y424 G476 S479 H714	N417-N421 PolarHBondContact O-ND2 3.31Å; V418-N421 WeakPolarHBondContact O-CB 3.25Å; V418-N421 PolarHBondContact O-N 3.42Å; V418-N421 PolarHBondContact O-ND2 3.43Å; F419-N421 PolarHBondContact O-N 2.83Å; F419-N421 VanDerWaalsContact O-N 3.08Å; N421-G423 PolarHBondContact O-N 3.41Å; N421-Y424 HydrophobicContact CB-CD2 4.33Å; N421-Y424 PolarHBondContact O-N 2.92Å; N421-Y424 VanDerWaalsContact O-N 3.12Å; N421-G476 VanDerWaalsContact CB-O 3.31Å; N421-G476 WeakPolarHBondContact CB-O 3.47Å; N421-S479 WeakPolarHBondContact OD1-CB 3.45Å; N421-S479 PolarHBondContact OD1-OG 3.28Å; N421-H714 PolarHBondContact ND2-CE1 2.86Å; N421-H714 VanDerWaalsContact ND2-CE1 3.3Å; N421-H714 PolarHBondContact ND2-ND1 3.2Å; N421-H714 VanDerWaalsContact ND2-ND1 3.14Å; N421-H714 PolarHBondContact OD1-CE1 3.31Å; N421-H714 PolarHBondContact OD1-ND1 3.4Å
422	V	95.6	Very high	93.8	Very high	31 Å²	31	17.8 Å²	17.8	19%	0.188	9%	0.094	C	C	.	.	H	α-helix	trans	-56.1	-27.3	-180	74.2	0	0	0	0	112.3	Y272 F419 S420 Y424 V425 L426	Y272-V422 HydrophobicContact CE2-CG1 4.13Å; F419-V422 HydrophobicContact CE1-CG1 4.2Å; F419-V422 HydrophobicContact CE2-CB 4.32Å; F419-V422 HydrophobicContact CE2-CG1 4.16Å; F419-V422 HydrophobicContact CE2-CG2 4.41Å; F419-V422 HydrophobicContact CZ-CG1 3.96Å; F419-V422 WeakPolarHBondContact O-CB 3.33Å; F419-V422 WeakPolarHBondContact O-CG1 3.37Å; F419-V422 PolarHBondContact O-N 2.89Å; S420-V422 VanDerWaalsContact C-N 3.27Å; S420-V422 PolarHBondContact O-N 2.82Å; V422-Y424 PolarHBondContact O-N 3.31Å; V422-V425 PolarHBondContact O-N 2.85Å; V422-L426 HydrophobicContact CG2-CD1 3.98Å; V422-L426 HydrophobicContact CG2-CG 4.11Å; V422-L426 WeakPolarHBondContact O-CG 3.32Å; V422-L426 PolarHBondContact O-N 3.09Å
423	G	96.5	Very high	94.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59	-41.8	177.7	0	0	0	0	0	113.7	Y272 N421 V425 L427	Y272-G423 WeakPolarHBondContact OH-CA 3.26Å; N421-G423 PolarHBondContact O-N 3.41Å; G423-V425 VanDerWaalsContact C-N 3.34Å; G423-V425 PolarHBondContact O-N 3.48Å; G423-L427 VanDerWaalsContact O-CB 3.24Å; G423-L427 WeakPolarHBondContact O-CB 3.34Å; G423-L427 VanDerWaalsContact O-CG 3.25Å; G423-L427 WeakPolarHBondContact O-CG 3.42Å; G423-L427 PolarHBondContact O-N 3.46Å
424	Y	97.3	Very high	95	Very high	8 Å²	8	19.4 Å²	19.4	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-39.9	177.5	-61.3	-71.7	0	0	0	111.7	N421 V422 G428 L472 H714 S717 A718	N421-Y424 HydrophobicContact CB-CD2 4.33Å; N421-Y424 PolarHBondContact O-N 2.92Å; N421-Y424 VanDerWaalsContact O-N 3.12Å; V422-Y424 PolarHBondContact O-N 3.31Å; Y424-G428 WeakPolarHBondContact O-CA 3.33Å; Y424-G428 PolarHBondContact O-N 2.99Å; Y424-L472 WeakPolarHBondContact CB-O 3.44Å; Y424-L472 HydrophobicContact CD1-CD1 3.75Å; Y424-H714 HydrophobicContact CE2-CB 4.32Å; Y424-S717 PolarHBondContact OH-OG 3.28Å; Y424-A718 HydrophobicContact CD1-CB 3.47Å; Y424-A718 VanDerWaalsContact CD1-CB 3.47Å; Y424-A718 HydrophobicContact CD2-CB 4.41Å; Y424-A718 VanDerWaalsContact CE1-CA 3.46Å; Y424-A718 HydrophobicContact CE1-CB 3.66Å; Y424-A718 HydrophobicContact CG-CB 3.88Å
425	V	96.9	Very high	95.3	Very high	36 Å²	36	19.2 Å²	19.2	22%	0.218	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-51.9	177.9	178.3	0	0	0	0	110.7	V422 G423 G428 I429 I473 I477	V422-V425 PolarHBondContact O-N 2.85Å; G423-V425 VanDerWaalsContact C-N 3.34Å; G423-V425 PolarHBondContact O-N 3.48Å; V425-G428 PolarHBondContact O-N 3.17Å; V425-I429 HydrophobicContact CG1-CD1 4.08Å; V425-I429 VanDerWaalsContact O-CG1 3.31Å; V425-I429 WeakPolarHBondContact O-CG1 3.24Å; V425-I429 PolarHBondContact O-N 2.74Å; V425-I473 HydrophobicContact CG1-CG2 4.28Å; V425-I477 HydrophobicContact CG2-CG1 4.11Å
426	L	97.5	Very high	95.4	Very high	41 Å²	41	19.1 Å²	19.1	22%	0.215	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-49.7	-179.5	-66.8	175.2	0	0	0	111	L269 Y272 Y276 V422 G428 I429 L430	L269-L426 HydrophobicContact CD2-CD1 4.14Å; Y272-L426 HydrophobicContact CD1-CB 4.5Å; Y272-L426 HydrophobicContact CD1-CD1 4.36Å; Y272-L426 HydrophobicContact CD2-CD1 3.7Å; Y272-L426 HydrophobicContact CE2-CD1 4.44Å; Y272-L426 HydrophobicContact CG-CD1 3.66Å; Y276-L426 HydrophobicContact CE2-CB 4.38Å; Y276-L426 PolarHBondContact OH-O 3.3Å; V422-L426 HydrophobicContact CG2-CD1 3.98Å; V422-L426 HydrophobicContact CG2-CG 4.11Å; V422-L426 WeakPolarHBondContact O-CG 3.32Å; V422-L426 PolarHBondContact O-N 3.09Å; L426-G428 VanDerWaalsContact C-N 3.3Å; L426-G428 PolarHBondContact O-N 3.49Å; L426-I429 PolarHBondContact O-N 3.47Å; L426-L430 PolarHBondContact O-N 3.46Å
427	L	97.7	Very high	95.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-69	-28.8	-179.9	-63.7	175.6	0	0	0	112.8	Y272 I275 G423 L430 F431 A718 I719 F722	Y272-L427 HydrophobicContact CD1-CD2 4.36Å; Y272-L427 HydrophobicContact CD1-CG 4.31Å; Y272-L427 HydrophobicContact CE1-CD1 4.21Å; Y272-L427 HydrophobicContact CE1-CG 4.21Å; I275-L427 HydrophobicContact CG2-CD2 3.94Å; G423-L427 VanDerWaalsContact O-CB 3.24Å; G423-L427 WeakPolarHBondContact O-CB 3.34Å; G423-L427 VanDerWaalsContact O-CG 3.25Å; G423-L427 WeakPolarHBondContact O-CG 3.42Å; G423-L427 PolarHBondContact O-N 3.46Å; L427-L430 HydrophobicContact CD2-CD2 4.18Å; L427-L430 PolarHBondContact O-N 3.33Å; L427-F431 WeakPolarHBondContact O-CB 3.5Å; L427-F431 PolarHBondContact O-N 2.98Å; L427-A718 VanDerWaalsContact CD1-C 3.48Å; L427-A718 HydrophobicContact CD1-CB 4.04Å; L427-A718 WeakPolarHBondContact CD1-O 3.46Å; L427-I719 HydrophobicContact CD1-CB 4.42Å; L427-I719 HydrophobicContact CD1-CG1 3.89Å; L427-F722 HydrophobicContact CB-CB 3.95Å; L427-F722 HydrophobicContact CB-CD2 4.09Å; L427-F722 HydrophobicContact CB-CG 4.11Å; L427-F722 HydrophobicContact CD1-CB 4.05Å; L427-F722 HydrophobicContact CD2-CD1 4.35Å; L427-F722 HydrophobicContact CD2-CG 4.26Å; L427-F722 HydrophobicContact CG-CB 4.45Å; L427-F722 WeakPolarHBondContact O-CD2 3.29Å
428	G	97.1	Very high	95.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.5	-45	169.4	0	0	0	0	0	112.4	Y424 V425 L426 F431 L432	Y424-G428 WeakPolarHBondContact O-CA 3.33Å; Y424-G428 PolarHBondContact O-N 2.99Å; V425-G428 PolarHBondContact O-N 3.17Å; L426-G428 VanDerWaalsContact C-N 3.3Å; L426-G428 PolarHBondContact O-N 3.49Å; G428-F431 PolarHBondContact O-N 3.38Å; G428-L432 WeakPolarHBondContact O-CG 3.3Å; G428-L432 PolarHBondContact O-N 3.17Å
429	I	97.4	Very high	95.3	Very high	68 Å²	68	22.9 Å²	22.9	35%	0.349	12%	0.124	S	C	.	.	H	α-helix	trans	-62	-45.6	173.6	-67.3	165.7	0	0	0	110.6	V425 L426 F431 L432 I433 I473	V425-I429 HydrophobicContact CG1-CD1 4.08Å; V425-I429 VanDerWaalsContact O-CG1 3.31Å; V425-I429 WeakPolarHBondContact O-CG1 3.24Å; V425-I429 PolarHBondContact O-N 2.74Å; L426-I429 PolarHBondContact O-N 3.47Å; I429-F431 VanDerWaalsContact C-N 3.29Å; I429-F431 PolarHBondContact O-N 3.42Å; I429-L432 PolarHBondContact O-N 3.41Å; I429-I433 HydrophobicContact CG2-CD1 3.98Å; I429-I433 WeakPolarHBondContact O-CG1 3.45Å; I429-I433 PolarHBondContact O-N 2.96Å; I429-I473 HydrophobicContact CG1-CD1 3.73Å; I429-I473 HydrophobicContact CG1-CG1 4.37Å
430	L	97.1	Very high	95	Very high	9 Å²	9	23.5 Å²	23.5	5%	0.047	13%	0.134	C	C	.	.	H	α-helix	trans	-57	-44.7	175.5	-179	56.6	0	0	0	111.5	I275 Y276 V279 L426 L427 I433 L434 F722	I275-L430 HydrophobicContact CG2-CD2 4.45Å; Y276-L430 HydrophobicContact CD1-CD1 3.8Å; Y276-L430 HydrophobicContact CD2-CB 4.34Å; Y276-L430 HydrophobicContact CD2-CD1 4.34Å; Y276-L430 HydrophobicContact CD2-CD2 3.81Å; Y276-L430 HydrophobicContact CD2-CG 4.39Å; Y276-L430 HydrophobicContact CE1-CB 4.08Å; Y276-L430 HydrophobicContact CE1-CD1 3.96Å; Y276-L430 HydrophobicContact CE2-CB 3.77Å; Y276-L430 HydrophobicContact CE2-CD2 4.04Å; Y276-L430 HydrophobicContact CE2-CG 4.32Å; Y276-L430 HydrophobicContact CG-CD1 4.02Å; Y276-L430 HydrophobicContact CG-CD2 4.21Å; Y276-L430 PolarHBondContact OH-N 2.78Å; V279-L430 HydrophobicContact CB-CD2 4.2Å; V279-L430 HydrophobicContact CG1-CD1 4.34Å; V279-L430 HydrophobicContact CG1-CD2 4.15Å; V279-L430 HydrophobicContact CG1-CG 4.45Å; V279-L430 HydrophobicContact CG2-CD2 4.14Å; L426-L430 PolarHBondContact O-N 3.46Å; L427-L430 HydrophobicContact CD2-CD2 4.18Å; L427-L430 PolarHBondContact O-N 3.33Å; L430-I433 PolarHBondContact O-N 2.91Å; L430-L434 HydrophobicContact CG-CD1 4.42Å; L430-L434 WeakPolarHBondContact O-CG 3.08Å; L430-L434 PolarHBondContact O-N 2.91Å; L430-F722 HydrophobicContact CB-CE2 4.18Å; L430-F722 HydrophobicContact CD2-CE1 4.19Å; L430-F722 HydrophobicContact CD2-CE2 3.89Å; L430-F722 HydrophobicContact CD2-CZ 3.54Å; L430-F722 HydrophobicContact CG-CE2 3.85Å; L430-F722 HydrophobicContact CG-CZ 3.86Å
431	F	97.1	Very high	94.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-43.6	177.1	-175.1	-108.3	0	0	0	111.9	L427 G428 I429 I433 L434 V435 F465 M468 F722 F725 L726 L729	L427-F431 WeakPolarHBondContact O-CB 3.5Å; L427-F431 PolarHBondContact O-N 2.98Å; G428-F431 PolarHBondContact O-N 3.38Å; I429-F431 VanDerWaalsContact C-N 3.29Å; I429-F431 PolarHBondContact O-N 3.42Å; F431-I433 VanDerWaalsContact C-N 3.33Å; F431-I433 PolarHBondContact O-N 3.16Å; F431-L434 PolarHBondContact O-N 3.23Å; F431-V435 HydrophobicContact CD1-CG2 4.01Å; F431-V435 HydrophobicContact CD2-CG2 4.46Å; F431-V435 HydrophobicContact CE1-CG2 3.65Å; F431-V435 HydrophobicContact CE2-CG2 4.1Å; F431-V435 HydrophobicContact CG-CG2 4.41Å; F431-V435 HydrophobicContact CZ-CG2 3.68Å; F431-V435 WeakPolarHBondContact O-CB 3.45Å; F431-V435 VanDerWaalsContact O-CG2 3.26Å; F431-V435 WeakPolarHBondContact O-CG2 3.34Å; F431-V435 PolarHBondContact O-N 3.36Å; F431-F465 HydrophobicContact CE1-CB 4.41Å; F431-F465 WeakPolarHBondContact CE1-O 3.31Å; F431-F465 HydrophobicContact CZ-CB 4.44Å; F431-F465 HydrophobicContact CZ-CD1 4.03Å; F431-M468 HydrophobicContact CE1-CB 4.34Å; F431-F722 HydrophobicContact CB-CD2 4.08Å; F431-F722 HydrophobicContact CB-CE2 4.05Å; F431-F725 AromaticContact CD1-CD2 3.96Å; F431-F725 HydrophobicContact CD1-CD2 3.96Å; F431-F725 HydrophobicContact CD2-CB 3.9Å; F431-F725 HydrophobicContact CE1-CB 4.27Å; F431-F725 AromaticContact CE1-CD2 3.93Å; F431-F725 HydrophobicContact CE1-CD2 3.93Å; F431-F725 HydrophobicContact CE1-CG 4.49Å; F431-F725 HydrophobicContact CE2-CB 3.53Å; F431-F725 HydrophobicContact CG-CB 4.44Å; F431-F725 HydrophobicContact CG-CD2 4.27Å; F431-F725 HydrophobicContact CZ-CB 3.73Å; F431-F725 HydrophobicContact CZ-CD2 4.24Å; F431-F725 HydrophobicContact CZ-CG 4.37Å; F431-L726 HydrophobicContact CD2-CD2 4.09Å; F431-L726 HydrophobicContact CE2-CD2 4.3Å; F431-L729 HydrophobicContact CE2-CB 4.34Å; F431-L729 HydrophobicContact CE2-CD2 4.08Å
432	L	96.4	Very high	94.1	Very high	32 Å²	32	26.8 Å²	26.8	17%	0.168	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-39.2	175.4	-68.8	173.2	0	0	0	112.5	G428 I429 V435 G436 Y466 M470 I473	G428-L432 WeakPolarHBondContact O-CG 3.3Å; G428-L432 PolarHBondContact O-N 3.17Å; I429-L432 PolarHBondContact O-N 3.41Å; L432-V435 PolarHBondContact O-N 3.47Å; L432-G436 PolarHBondContact O-N 3Å; L432-Y466 HydrophobicContact CD2-CD1 3.89Å; L432-M470 HydrophobicContact CD1-CG 4.35Å; L432-M470 HydrophobicContact CD1-SD 3.5Å; L432-M470 VanDerWaalsContact CD1-SD 3.5Å; L432-M470 HydrophobicContact CD2-CG 4.36Å; L432-I473 HydrophobicContact CD1-CD1 3.52Å
433	I	95.9	Very high	93.6	Very high	82 Å²	82	29.2 Å²	29.2	42%	0.421	16%	0.159	S	C	.	.	H	α-helix	trans	-61.6	-46.9	174.5	-67.8	165.7	0	0	0	110.2	Y276 I429 L430 F431 G436 I437	Y276-I433 HydrophobicContact CE1-CD1 4.47Å; I429-I433 HydrophobicContact CG2-CD1 3.98Å; I429-I433 WeakPolarHBondContact O-CG1 3.45Å; I429-I433 PolarHBondContact O-N 2.96Å; L430-I433 PolarHBondContact O-N 2.91Å; F431-I433 VanDerWaalsContact C-N 3.33Å; F431-I433 PolarHBondContact O-N 3.16Å; I433-G436 PolarHBondContact O-N 2.89Å; I433-I437 HydrophobicContact CG2-CD1 3.94Å; I433-I437 VanDerWaalsContact O-CG1 3.32Å; I433-I437 WeakPolarHBondContact O-CG1 3.47Å; I433-I437 PolarHBondContact O-N 3.03Å
434	L	94.6	Very high	93.1	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-41.1	178.8	-67.6	173.2	0	0	0	112.5	V279 W283 L430 F431 G436 I437 R438 F722 L726	V279-L434 HydrophobicContact CG1-CD1 3.78Å; V279-L434 HydrophobicContact CG1-CD2 4.36Å; W283-L434 HydrophobicContact CD2-CD2 3.86Å; W283-L434 HydrophobicContact CE3-CD2 4.04Å; W283-L434 HydrophobicContact CG-CD2 4.09Å; L430-L434 HydrophobicContact CG-CD1 4.42Å; L430-L434 WeakPolarHBondContact O-CG 3.08Å; L430-L434 PolarHBondContact O-N 2.91Å; F431-L434 PolarHBondContact O-N 3.23Å; L434-G436 VanDerWaalsContact C-N 3.35Å; L434-I437 PolarHBondContact O-N 3.16Å; L434-R438 PolarHBondContact O-N 3.42Å; L434-R438 VanDerWaalsContact O-N 3.08Å; L434-F722 HydrophobicContact CD1-CE2 4.24Å; L434-F722 HydrophobicContact CD1-CZ 4.02Å; L434-L726 HydrophobicContact CD1-CD2 3.63Å
435	V	93.5	Very high	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-44.2	173.6	172.1	0	0	0	0	110.3	F431 L432 I437 R438 D439 F462 F465 Y466 L729	F431-V435 HydrophobicContact CD1-CG2 4.01Å; F431-V435 HydrophobicContact CD2-CG2 4.46Å; F431-V435 HydrophobicContact CE1-CG2 3.65Å; F431-V435 HydrophobicContact CE2-CG2 4.1Å; F431-V435 HydrophobicContact CG-CG2 4.41Å; F431-V435 HydrophobicContact CZ-CG2 3.68Å; F431-V435 WeakPolarHBondContact O-CB 3.45Å; F431-V435 VanDerWaalsContact O-CG2 3.26Å; F431-V435 WeakPolarHBondContact O-CG2 3.34Å; F431-V435 PolarHBondContact O-N 3.36Å; L432-V435 PolarHBondContact O-N 3.47Å; V435-I437 PolarHBondContact O-N 3.29Å; V435-R438 PolarHBondContact O-N 3.12Å; V435-D439 WeakPolarHBondContact O-CB 3.43Å; V435-D439 PolarHBondContact O-N 3.23Å; V435-F462 HydrophobicContact CG1-CB 4.38Å; V435-F462 HydrophobicContact CG1-CD1 4.08Å; V435-F465 HydrophobicContact CG1-CB 3.83Å; V435-F465 HydrophobicContact CG2-CB 3.78Å; V435-Y466 HydrophobicContact CB-CE1 4.36Å; V435-Y466 HydrophobicContact CG1-CD1 3.84Å; V435-Y466 HydrophobicContact CG1-CD2 4.09Å; V435-Y466 HydrophobicContact CG1-CE1 3.71Å; V435-Y466 HydrophobicContact CG1-CE2 3.97Å; V435-Y466 HydrophobicContact CG1-CG 4.04Å; V435-L729 HydrophobicContact CG2-CD1 4.42Å; V435-L729 HydrophobicContact CG2-CD2 4.37Å
436	G	93.5	Very high	91.6	Very high	23 Å²	23	38.4 Å²	38.4	24%	0.237	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-42.1	177	0	0	0	0	0	113.5	L432 I433 L434 D439 A440 Y466	L432-G436 PolarHBondContact O-N 3Å; I433-G436 PolarHBondContact O-N 2.89Å; L434-G436 VanDerWaalsContact C-N 3.35Å; G436-D439 PolarHBondContact O-N 3Å; G436-A440 WeakPolarHBondContact O-CB 3.03Å; G436-A440 PolarHBondContact O-N 3.14Å; G436-Y466 WeakPolarHBondContact CA-OH 3.43Å
437	I	92	Very high	90.9	Very high	77 Å²	77	40.9 Å²	40.9	40%	0.395	22%	0.216	S	C	.	.	H	α-helix	trans	-61.1	-45.8	174.3	-68.3	165.7	0	0	0	110.4	I433 L434 V435 A440 E441	I433-I437 HydrophobicContact CG2-CD1 3.94Å; I433-I437 VanDerWaalsContact O-CG1 3.32Å; I433-I437 WeakPolarHBondContact O-CG1 3.47Å; I433-I437 PolarHBondContact O-N 3.03Å; L434-I437 PolarHBondContact O-N 3.16Å; V435-I437 PolarHBondContact O-N 3.29Å; I437-A440 PolarHBondContact O-N 3.23Å; I437-E441 PolarHBondContact O-N 2.95Å
438	R	89.9	Confident	90.2	Very high	23 Å²	23	47.2 Å²	47.2	9%	0.087	25%	0.246	C	C	.	.	H	α-helix	trans	-67.2	-40.1	178.9	-76.7	-159.8	142.3	-164.9	-6.3	113.7	W283 L434 V435 E441 N442 F462 L729 D733	W283-R438 HydrophobicContact CH2-CG 4.1Å; W283-R438 VanDerWaalsContact CH2-NE 3.32Å; W283-R438 HydrophobicContact CZ2-CG 3.55Å; W283-R438 VanDerWaalsContact CZ2-NE 3.28Å; L434-R438 PolarHBondContact O-N 3.42Å; L434-R438 VanDerWaalsContact O-N 3.08Å; V435-R438 PolarHBondContact O-N 3.12Å; R438-E441 PolarHBondContact O-N 3.37Å; R438-N442 VanDerWaalsContact O-CB 3.31Å; R438-N442 WeakPolarHBondContact O-CB 3.45Å; R438-N442 PolarHBondContact O-N 3.46Å; R438-F462 HydrophobicContact CB-CE1 3.62Å; R438-F462 HydrophobicContact CB-CZ 3.98Å; R438-L729 PolarHBondContact NH1-O 2.67Å; R438-D733 IonicContact CZ-OD1 3.68Å; R438-D733 IonicContact CZ-OD2 2.67Å; R438-D733 IonicContact NH1-OD1 3.27Å; R438-D733 PolarHBondContact NH1-OD1 2.89Å; R438-D733 IonicContact NH1-OD2 3.39Å; R438-D733 PolarHBondContact NH1-OD2 3.38Å; R438-D733 IonicContact NH2-OD1 3.7Å; R438-D733 PolarHBondContact NH2-OD1 2.88Å; R438-D733 VanDerWaalsContact NH2-OD1 3.1Å; R438-D733 IonicContact NH2-OD2 3.12Å; R438-D733 PolarHBondContact NH2-OD2 3.33Å
439	D	90.2	Very high	89.5	Confident	12 Å²	12	48.5 Å²	48.5	6%	0.064	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-44.7	177.4	-174.5	17.3	0	0	0	110.1	Y371 V435 G436 E441 N442 Q443 F462 Y466	Y371-D439 PolarHBondContact OH-OD1 3.03Å; V435-D439 WeakPolarHBondContact O-CB 3.43Å; V435-D439 PolarHBondContact O-N 3.23Å; G436-D439 PolarHBondContact O-N 3Å; D439-E441 PolarHBondContact O-N 2.89Å; D439-N442 PolarHBondContact O-N 3.47Å; D439-Q443 VanDerWaalsContact CG-NE2 3.33Å; D439-Q443 WeakPolarHBondContact O-CB 3.28Å; D439-Q443 VanDerWaalsContact O-CG 3.27Å; D439-Q443 WeakPolarHBondContact O-CG 3.44Å; D439-Q443 PolarHBondContact O-N 2.92Å; D439-Q443 PolarHBondContact OD1-NE2 3.35Å; D439-Q443 PolarHBondContact OD2-NE2 3.26Å; D439-F462 HydrophobicContact CB-CB 4.18Å; D439-F462 HydrophobicContact CB-CD1 4.13Å; D439-F462 HydrophobicContact CB-CD2 3.77Å; D439-F462 HydrophobicContact CB-CE1 4.48Å; D439-F462 HydrophobicContact CB-CE2 4.17Å; D439-F462 HydrophobicContact CB-CG 3.75Å; D439-F462 HydrophobicContact CB-CZ 4.49Å; D439-F462 WeakPolarHBondContact OD1-CD2 3.4Å; D439-Y466 HydrophobicContact CB-CE2 4.47Å; D439-Y466 WeakPolarHBondContact CB-OH 3.26Å; D439-Y466 WeakPolarHBondContact OD2-CE2 3.35Å; D439-Y466 PolarHBondContact OD2-OH 2.84Å
440	A	89.5	Confident	88.6	Confident	43 Å²	43	49.2 Å²	49.2	36%	0.355	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-43.1	174.9	0	0	0	0	0	112.8	G436 I437 Q443 R444	G436-A440 WeakPolarHBondContact O-CB 3.03Å; G436-A440 PolarHBondContact O-N 3.14Å; I437-A440 PolarHBondContact O-N 3.23Å; A440-Q443 PolarHBondContact O-N 2.85Å; A440-R444 WeakPolarHBondContact O-CG 3.34Å; A440-R444 PolarHBondContact O-N 3.17Å; A440-R444 VanDerWaalsContact O-N 3.09Å
441	E	86.2	Confident	87.7	Confident	55 Å²	55	50.5 Å²	50.5	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-46.3	174.1	-172.2	-172.7	162.5	0	0	111.4	I437 R438 D439 Q443 R444 V445	I437-E441 PolarHBondContact O-N 2.95Å; R438-E441 PolarHBondContact O-N 3.37Å; D439-E441 PolarHBondContact O-N 2.89Å; E441-Q443 VanDerWaalsContact C-N 3.33Å; E441-Q443 PolarHBondContact O-N 3.4Å; E441-R444 PolarHBondContact O-N 3.42Å; E441-V445 WeakPolarHBondContact O-CG2 3.49Å; E441-V445 PolarHBondContact O-N 3.29Å; E441-V445 VanDerWaalsContact O-N 3.09Å
442	N	84	Confident	86.9	Confident	16 Å²	16	50.8 Å²	50.8	9%	0.086	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-39.3	179.6	-171.2	75.5	0	0	0	112.3	Y371 R438 D439 L446 Q453 F462	Y371-N442 PolarHBondContact OH-ND2 3.36Å; R438-N442 VanDerWaalsContact O-CB 3.31Å; R438-N442 WeakPolarHBondContact O-CB 3.45Å; R438-N442 PolarHBondContact O-N 3.46Å; D439-N442 PolarHBondContact O-N 3.47Å; N442-L446 WeakPolarHBondContact O-CB 3.31Å; N442-L446 PolarHBondContact O-N 2.9Å; N442-Q453 PolarHBondContact O-NE2 3.48Å; N442-Q453 PolarHBondContact OD1-NE2 2.95Å; N442-F462 HydrophobicContact CB-CE2 3.58Å; N442-F462 HydrophobicContact CB-CZ 3.96Å
443	Q	85.1	Confident	85.9	Confident	81 Å²	81	50.9 Å²	50.9	38%	0.379	27%	0.272	S	S	.	.	H	α-helix	trans	-66.8	-38.9	176.7	-72.8	177.7	23.2	0	0	112.3	D439 A440 E441 L446 S447	D439-Q443 VanDerWaalsContact CG-NE2 3.33Å; D439-Q443 WeakPolarHBondContact O-CB 3.28Å; D439-Q443 VanDerWaalsContact O-CG 3.27Å; D439-Q443 WeakPolarHBondContact O-CG 3.44Å; D439-Q443 PolarHBondContact O-N 2.92Å; D439-Q443 PolarHBondContact OD1-NE2 3.35Å; D439-Q443 PolarHBondContact OD2-NE2 3.26Å; A440-Q443 PolarHBondContact O-N 2.85Å; E441-Q443 VanDerWaalsContact C-N 3.33Å; E441-Q443 PolarHBondContact O-N 3.4Å; Q443-L446 PolarHBondContact O-N 3.36Å; Q443-S447 WeakPolarHBondContact O-CB 3.45Å; Q443-S447 PolarHBondContact O-N 3.23Å; Q443-S447 PolarHBondContact O-OG 3.35Å
444	R	86.6	Confident	84.9	Confident	175 Å²	175	50.1 Å²	50.1	66%	0.66	28%	0.278	S	S	*	.	H	α-helix	trans	-60.5	-51.9	173.9	-73.5	175.1	-177.2	177.4	1	111.2	A440 E441 L446 S447 E448	A440-R444 WeakPolarHBondContact O-CG 3.34Å; A440-R444 PolarHBondContact O-N 3.17Å; A440-R444 VanDerWaalsContact O-N 3.09Å; E441-R444 PolarHBondContact O-N 3.42Å; R444-L446 VanDerWaalsContact C-N 3.29Å; R444-L446 PolarHBondContact O-N 2.9Å; R444-S447 PolarHBondContact O-N 3.17Å; R444-S447 VanDerWaalsContact O-N 3.07Å; R444-S447 PolarHBondContact O-OG 3.45Å; R444-E448 WeakPolarHBondContact O-CG 3.46Å; R444-E448 PolarHBondContact O-N 3.1Å
445	V	80.4	Confident	84.2	Confident	22 Å²	22	54.7 Å²	54.7	13%	0.133	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-39.8	178.6	176.1	0	0	0	0	111.5	E441 S447 E448 N449 F452 Q453	E441-V445 WeakPolarHBondContact O-CG2 3.49Å; E441-V445 PolarHBondContact O-N 3.29Å; E441-V445 VanDerWaalsContact O-N 3.09Å; V445-S447 VanDerWaalsContact C-N 3.34Å; V445-E448 PolarHBondContact O-N 3.44Å; V445-N449 PolarHBondContact O-N 3.49Å; V445-F452 HydrophobicContact CG1-CD1 4.45Å; V445-Q453 HydrophobicContact CG1-CG 4.38Å
446	L	81.1	Confident	83.7	Confident	41 Å²	41	57.4 Å²	57.4	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-37.3	176.6	-178.9	63.3	0	0	0	112.4	Y371 N442 Q443 R444 Q453	Y371-L446 HydrophobicContact CD1-CD2 3.2Å; Y371-L446 HydrophobicContact CD2-CD2 4.07Å; Y371-L446 HydrophobicContact CE1-CD2 3.72Å; Y371-L446 HydrophobicContact CE2-CD2 4.49Å; Y371-L446 HydrophobicContact CG-CD2 3.41Å; Y371-L446 VanDerWaalsContact CG-CD2 3.41Å; N442-L446 WeakPolarHBondContact O-CB 3.31Å; N442-L446 PolarHBondContact O-N 2.9Å; Q443-L446 PolarHBondContact O-N 3.36Å; R444-L446 VanDerWaalsContact C-N 3.29Å; R444-L446 PolarHBondContact O-N 2.9Å; L446-Q453 HydrophobicContact CD1-CB 4.14Å; L446-Q453 HydrophobicContact CD1-CG 4.49Å
447	S	82.8	Confident	83.2	Confident	92 Å²	92	56.5 Å²	56.5	64%	0.643	30%	0.296	S	S	*	.	H	α-helix	trans	-72	-34.1	179.5	69.1	0	0	0	0	113	Q443 R444 V445	Q443-S447 WeakPolarHBondContact O-CB 3.45Å; Q443-S447 PolarHBondContact O-N 3.23Å; Q443-S447 PolarHBondContact O-OG 3.35Å; R444-S447 PolarHBondContact O-N 3.17Å; R444-S447 VanDerWaalsContact O-N 3.07Å; R444-S447 PolarHBondContact O-OG 3.45Å; V445-S447 VanDerWaalsContact C-N 3.34Å
448	E	83.6	Confident	82.8	Confident	134 Å²	134	54 Å²	54	63%	0.626	28%	0.283	S	S	*	.	H	α-helix	trans	-82.6	-41.8	179.4	-68.4	172.4	-179.4	0	0	111.8	R444 V445	R444-E448 WeakPolarHBondContact O-CG 3.46Å; R444-E448 PolarHBondContact O-N 3.1Å; V445-E448 PolarHBondContact O-N 3.44Å
449	N	81.8	Confident	82.2	Confident	27 Å²	27	54.6 Å²	54.6	14%	0.144	29%	0.29	C	S	.	.			trans	-135.9	71.8	-170.4	-61.9	-70.5	0	0	0	111.7	I302 V445 S451 F452	I302-N449 HydrophobicContact CD1-CB 4.44Å; I302-N449 HydrophobicContact CG1-CB 4.47Å; I302-N449 VanDerWaalsContact CG2-OD1 3.26Å; I302-N449 WeakPolarHBondContact CG2-OD1 3.44Å; V445-N449 PolarHBondContact O-N 3.49Å; N449-S451 VanDerWaalsContact C-N 3.28Å; N449-S451 PolarHBondContact O-N 3.3Å; N449-F452 HydrophobicContact CB-CB 3.95Å; N449-F452 PolarHBondContact O-N 3.28Å
450	P	79.9	Confident	81.5	Confident	82 Å²	82	57.2 Å²	57.2	53%	0.532	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-32.6	-177.9	24.9	-34	0	0	0	113.1	F452 A454	P450-F452 VanDerWaalsContact C-N 3.34Å; P450-F452 PolarHBondContact O-N 3.18Å; P450-A454 PolarHBondContact O-N 2.81Å
451	S	78.1	Confident	80.9	Confident	36 Å²	36	56.3 Å²	56.3	25%	0.252	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-35.7	177.5	53.2	0	0	0	0	112.4	N449 A454 R455	N449-S451 VanDerWaalsContact C-N 3.28Å; N449-S451 PolarHBondContact O-N 3.3Å; S451-A454 PolarHBondContact O-N 3.38Å; S451-R455 PolarHBondContact O-N 3.49Å
452	F	79.2	Confident	80.8	Confident	6 Å²	6	54 Å²	54	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-51.1	178.7	-178.3	-95.1	0	0	0	111.7	R298 L301 I302 L305 V445 N449 P450 A454 R455 Y456	R298-F452 HydrophobicContact CG-CE1 4.36Å; R298-F452 HydrophobicContact CG-CE2 4.21Å; R298-F452 HydrophobicContact CG-CZ 3.95Å; L301-F452 HydrophobicContact CB-CD2 4.36Å; L301-F452 HydrophobicContact CB-CE2 3.92Å; L301-F452 HydrophobicContact CD2-CE2 3.89Å; I302-F452 HydrophobicContact CG1-CB 4.36Å; I302-F452 HydrophobicContact CG1-CD2 3.95Å; I302-F452 HydrophobicContact CG1-CG 4.27Å; L305-F452 HydrophobicContact CD1-CB 4.04Å; L305-F452 HydrophobicContact CD1-CD2 4.11Å; V445-F452 HydrophobicContact CG1-CD1 4.45Å; N449-F452 HydrophobicContact CB-CB 3.95Å; N449-F452 PolarHBondContact O-N 3.28Å; P450-F452 VanDerWaalsContact C-N 3.34Å; P450-F452 PolarHBondContact O-N 3.18Å; F452-A454 PolarHBondContact O-N 2.99Å; F452-R455 PolarHBondContact O-N 3.49Å; F452-Y456 AromaticContact CD2-CD2 3.99Å; F452-Y456 HydrophobicContact CD2-CD2 3.99Å; F452-Y456 HydrophobicContact CD2-CG 4.46Å; F452-Y456 HydrophobicContact CE2-CD2 4.11Å; F452-Y456 HydrophobicContact CE2-CG 4.18Å; F452-Y456 PolarHBondContact O-N 3.21Å
453	Q	75.9	Confident	80.9	Confident	35 Å²	35	54.2 Å²	54.2	16%	0.164	28%	0.284	C	S	.	.	H	α-helix	trans	-70	-19.7	178.4	-71.2	-164.4	9	0	0	113.8	N442 V445 L446 H740	N442-Q453 PolarHBondContact O-NE2 3.48Å; N442-Q453 PolarHBondContact OD1-NE2 2.95Å; V445-Q453 HydrophobicContact CG1-CG 4.38Å; L446-Q453 HydrophobicContact CD1-CB 4.14Å; L446-Q453 HydrophobicContact CD1-CG 4.49Å; Q453-H740 PolarHBondContact O-CE1 3.12Å
454	A	75.6	Confident	80.9	Confident	65 Å²	65	51.6 Å²	51.6	54%	0.537	27%	0.272	S	S	.	.	H	α-helix	trans	-74.2	-25.9	174.7	0	0	0	0	0	112.8	P450 S451 F452 H740	P450-A454 PolarHBondContact O-N 2.81Å; S451-A454 PolarHBondContact O-N 3.38Å; F452-A454 PolarHBondContact O-N 2.99Å; A454-H740 PolarHBondContact O-CE1 3.22Å; A454-H740 PolarHBondContact O-ND1 3.05Å
455	R	79.3	Confident	81.1	Confident	103 Å²	103	44 Å²	44	39%	0.389	24%	0.244	S	C	.	.	H	α-helix	trans	-114.2	-22.9	-174.7	-60.3	-169.1	-165.4	176.6	7	114.7	D308 D309 S451 F452 A739 H740	D308-R455 IonicContact OD2-NH1 3.11Å; D308-R455 PolarHBondContact OD2-NH1 3.1Å; D309-R455 IonicContact OD1-NH2 3.76Å; D309-R455 PolarHBondContact OD1-NH2 3.43Å; S451-R455 PolarHBondContact O-N 3.49Å; F452-R455 PolarHBondContact O-N 3.49Å; R455-A739 WeakPolarHBondContact O-CA 3.28Å; R455-H740 PolarHBondContact O-CD2 3.44Å; R455-H740 PolarHBondContact O-N 2.77Å
456	Y	83.8	Confident	81.7	Confident	57 Å²	57	46.3 Å²	46.3	22%	0.224	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-125.4	145.2	-173.4	-65.6	-87.7	0	0	0	113.5	L301 L305 F452 N737 T738 A739 H740	L301-Y456 HydrophobicContact CD2-CD1 3.54Å; L301-Y456 HydrophobicContact CD2-CD2 4.22Å; L301-Y456 HydrophobicContact CD2-CE1 3.29Å; L301-Y456 HydrophobicContact CD2-CE2 4.01Å; L301-Y456 HydrophobicContact CD2-CG 4.01Å; L301-Y456 HydrophobicContact CG-CE1 4.29Å; L305-Y456 HydrophobicContact CD1-CD2 4.17Å; L305-Y456 HydrophobicContact CD1-CE2 3.89Å; L305-Y456 HydrophobicContact CD2-CE2 4.15Å; L305-Y456 HydrophobicContact CG-CE2 4.2Å; F452-Y456 AromaticContact CD2-CD2 3.99Å; F452-Y456 HydrophobicContact CD2-CD2 3.99Å; F452-Y456 HydrophobicContact CD2-CG 4.46Å; F452-Y456 HydrophobicContact CE2-CD2 4.11Å; F452-Y456 HydrophobicContact CE2-CG 4.18Å; F452-Y456 PolarHBondContact O-N 3.21Å; Y456-N737 WeakPolarHBondContact CD1-O 3.18Å; Y456-T738 WeakPolarHBondContact CA-O 3.49Å; Y456-A739 HydrophobicContact CD1-CB 3.96Å; Y456-A739 HydrophobicContact CE1-CB 3.77Å; Y456-H740 PolarHBondContact O-NE2 2.99Å
457	G	83	Confident	82.2	Confident	5 Å²	5	45.5 Å²	45.5	5%	0.052	25%	0.25	C	S	.	.	S	Bend	trans	92.7	-169.3	175.8	0	0	0	0	0	114.6	L735 T738 H740 I743	G457-L735 WeakPolarHBondContact CA-O 3.38Å; G457-T738 PolarHBondContact N-O 3.09Å; G457-H740 PolarHBondContact O-CD2 3.02Å; G457-H740 PolarHBondContact O-NE2 3.47Å; G457-I743 VanDerWaalsContact O-CD1 3.25Å; G457-I743 WeakPolarHBondContact O-CD1 3.09Å
458	I	82.2	Confident	82.7	Confident	24 Å²	24	41.1 Å²	41.1	12%	0.123	22%	0.22	C	C	.	.			trans	-101.5	127.3	163.9	-63.8	-177.3	0	0	0	106.8	K460 I512 D732 L735 I743	I458-K460 WeakPolarHBondContact O-CG 3.14Å; I458-K460 PolarHBondContact O-N 2.87Å; I458-I512 HydrophobicContact CD1-CG2 4.07Å; I458-I512 WeakPolarHBondContact CG2-O 3.48Å; I458-D732 HydrophobicContact CD1-CB 3.72Å; I458-L735 HydrophobicContact CD1-CD1 3.9Å; I458-L735 HydrophobicContact CG1-CD1 4.41Å; I458-I743 HydrophobicContact CG1-CD1 4.17Å
459	P	77.2	Confident	83.2	Confident	36 Å²	36	34.8 Å²	34.8	23%	0.234	19%	0.19	C	C	.	.			trans	-52.9	114.2	174.4	-26.1	33	0	0	0	111.2	V363 A367 P515	V363-P459 HydrophobicContact CG1-CG 4.47Å; A367-P459 HydrophobicContact CB-CG 3.57Å; P459-P515 HydrophobicContact CB-CB 4.06Å; P459-P515 HydrophobicContact CG-CB 4.16Å; P459-P515 HydrophobicContact CG-CG 4.23Å
460	K	75.6	Confident	83.8	Confident	67 Å²	67	36.2 Å²	36.2	29%	0.291	20%	0.196	S	C	.	.			trans	-84.2	132.7	-173.4	-59.4	-171.5	-173.8	-176.9	0	110.8	Y371 I458 F462	Y371-K460 WeakPolarHBondContact CE2-O 3.43Å; I458-K460 WeakPolarHBondContact O-CG 3.14Å; I458-K460 PolarHBondContact O-N 2.87Å; K460-F462 HydrophobicContact CB-CE2 3.9Å; K460-F462 HydrophobicContact CB-CZ 4.16Å; K460-F462 HydrophobicContact CD-CZ 4.08Å
461	H	77.1	Confident	84.4	Confident	23 Å²	23	32.5 Å²	32.5	11%	0.106	17%	0.173	C	C	.	.			trans	-124.3	112.1	172.2	-63.5	-39.5	0	0	0	109.8	N374 K508 Q511	N374-H461 PolarHBondContact ND2-CE1 2.93Å; N374-H461 PolarHBondContact ND2-NE2 3.43Å; N374-H461 VanDerWaalsContact ND2-NE2 3.19Å; H461-K508 PolarHBondContact O-NZ 3.37Å; H461-K508 VanDerWaalsContact O-NZ 3.11Å; H461-Q511 PolarHBondContact CD2-NE2 3.14Å
462	F	85.3	Confident	85.2	Confident	8 Å²	8	30.9 Å²	30.9	4%	0.035	16%	0.161	C	C	.	.			trans	-87.1	-18	-175.9	-66.5	-79.3	0	0	0	114.2	V435 R438 D439 N442 K460 L464 F465 Y466	V435-F462 HydrophobicContact CG1-CB 4.38Å; V435-F462 HydrophobicContact CG1-CD1 4.08Å; R438-F462 HydrophobicContact CB-CE1 3.62Å; R438-F462 HydrophobicContact CB-CZ 3.98Å; D439-F462 HydrophobicContact CB-CB 4.18Å; D439-F462 HydrophobicContact CB-CD1 4.13Å; D439-F462 HydrophobicContact CB-CD2 3.77Å; D439-F462 HydrophobicContact CB-CE1 4.48Å; D439-F462 HydrophobicContact CB-CE2 4.17Å; D439-F462 HydrophobicContact CB-CG 3.75Å; D439-F462 HydrophobicContact CB-CZ 4.49Å; D439-F462 WeakPolarHBondContact OD1-CD2 3.4Å; N442-F462 HydrophobicContact CB-CE2 3.58Å; N442-F462 HydrophobicContact CB-CZ 3.96Å; K460-F462 HydrophobicContact CB-CE2 3.9Å; K460-F462 HydrophobicContact CB-CZ 4.16Å; K460-F462 HydrophobicContact CD-CZ 4.08Å; F462-L464 VanDerWaalsContact C-N 3.32Å; F462-L464 PolarHBondContact O-N 3.23Å; F462-F465 HydrophobicContact CD1-CD2 4.07Å; F462-F465 WeakPolarHBondContact O-CA 3.37Å; F462-F465 WeakPolarHBondContact O-CB 3.46Å; F462-F465 PolarHBondContact O-N 3.45Å; F462-Y466 HydrophobicContact CB-CD2 4.12Å; F462-Y466 HydrophobicContact CB-CE2 3.81Å; F462-Y466 VanDerWaalsContact O-CD2 3.24Å; F462-Y466 WeakPolarHBondContact O-CD2 3.27Å; F462-Y466 PolarHBondContact O-N 3.47Å
463	G	85	Confident	86	Confident	19 Å²	19	31.5 Å²	31.5	20%	0.196	17%	0.165	C	C	.	.	H	α-helix	trans	-53.4	-43.1	-178.8	0	0	0	0	0	114.2	Y466 A467	G463-Y466 PolarHBondContact O-N 2.84Å; G463-A467 PolarHBondContact O-N 3.24Å
464	L	85.6	Confident	86.8	Confident	26 Å²	26	31.9 Å²	31.9	14%	0.136	17%	0.168	C	C	.	.	H	α-helix	trans	-69.1	-32.2	175.7	-84.9	168.3	0	0	0	112.9	F462 A467 M468 L504 K508 Q511	F462-L464 VanDerWaalsContact C-N 3.32Å; F462-L464 PolarHBondContact O-N 3.23Å; L464-A467 PolarHBondContact O-N 3.5Å; L464-M468 VanDerWaalsContact O-CG 3.23Å; L464-M468 WeakPolarHBondContact O-CG 3.49Å; L464-M468 PolarHBondContact O-N 2.83Å; L464-L504 HydrophobicContact CD2-CD2 3.78Å; L464-K508 HydrophobicContact CB-CD 3.99Å; L464-Q511 HydrophobicContact CD1-CB 4.4Å; L464-Q511 VanDerWaalsContact CD1-OE1 3.23Å
465	F	91.4	Very high	87.6	Confident	15 Å²	15	29.3 Å²	29.3	7%	0.066	15%	0.145	C	C	.	.	H	α-helix	trans	-69.1	-40.9	174.5	-69.6	-59.4	0	0	0	111.7	F431 V435 F462 A467 M468 G469 K508 L728 L729	F431-F465 HydrophobicContact CE1-CB 4.41Å; F431-F465 WeakPolarHBondContact CE1-O 3.31Å; F431-F465 HydrophobicContact CZ-CB 4.44Å; F431-F465 HydrophobicContact CZ-CD1 4.03Å; V435-F465 HydrophobicContact CG1-CB 3.83Å; V435-F465 HydrophobicContact CG2-CB 3.78Å; F462-F465 HydrophobicContact CD1-CD2 4.07Å; F462-F465 WeakPolarHBondContact O-CA 3.37Å; F462-F465 WeakPolarHBondContact O-CB 3.46Å; F462-F465 PolarHBondContact O-N 3.45Å; F465-A467 VanDerWaalsContact C-N 3.32Å; F465-A467 PolarHBondContact O-N 3.48Å; F465-M468 HydrophobicContact CD1-SD 4.05Å; F465-M468 PolarHBondContact O-N 2.96Å; F465-G469 PolarHBondContact O-N 2.85Å; F465-K508 HydrophobicContact CD1-CD 4.11Å; F465-K508 HydrophobicContact CD1-CG 4.42Å; F465-K508 HydrophobicContact CD2-CD 4.46Å; F465-K508 HydrophobicContact CE1-CD 3.78Å; F465-K508 HydrophobicContact CE1-CG 3.89Å; F465-K508 HydrophobicContact CE2-CD 4.15Å; F465-K508 HydrophobicContact CG-CD 4.45Å; F465-K508 HydrophobicContact CZ-CD 3.82Å; F465-K508 HydrophobicContact CZ-CG 4.23Å; F465-L728 HydrophobicContact CE1-CB 4.3Å; F465-L729 HydrophobicContact CD1-CD1 4.29Å; F465-L729 HydrophobicContact CD2-CD1 3.99Å; F465-L729 HydrophobicContact CE1-CB 4.3Å; F465-L729 HydrophobicContact CE1-CD1 4.18Å; F465-L729 HydrophobicContact CE2-CD1 3.88Å; F465-L729 HydrophobicContact CG-CD1 4.2Å; F465-L729 HydrophobicContact CZ-CD1 3.96Å
466	Y	92.4	Very high	88.3	Confident	72 Å²	72	24.6 Å²	24.6	28%	0.282	13%	0.128	S	C	.	.	H	α-helix	trans	-60.7	-42.4	171.2	-70.9	-68.2	0	0	0	111.5	L432 V435 G436 D439 F462 G463 M468 G469 M470	L432-Y466 HydrophobicContact CD2-CD1 3.89Å; V435-Y466 HydrophobicContact CB-CE1 4.36Å; V435-Y466 HydrophobicContact CG1-CD1 3.84Å; V435-Y466 HydrophobicContact CG1-CD2 4.09Å; V435-Y466 HydrophobicContact CG1-CE1 3.71Å; V435-Y466 HydrophobicContact CG1-CE2 3.97Å; V435-Y466 HydrophobicContact CG1-CG 4.04Å; G436-Y466 WeakPolarHBondContact CA-OH 3.43Å; D439-Y466 HydrophobicContact CB-CE2 4.47Å; D439-Y466 WeakPolarHBondContact CB-OH 3.26Å; D439-Y466 WeakPolarHBondContact OD2-CE2 3.35Å; D439-Y466 PolarHBondContact OD2-OH 2.84Å; F462-Y466 HydrophobicContact CB-CD2 4.12Å; F462-Y466 HydrophobicContact CB-CE2 3.81Å; F462-Y466 VanDerWaalsContact O-CD2 3.24Å; F462-Y466 WeakPolarHBondContact O-CD2 3.27Å; F462-Y466 PolarHBondContact O-N 3.47Å; G463-Y466 PolarHBondContact O-N 2.84Å; Y466-M468 PolarHBondContact O-N 3.43Å; Y466-G469 PolarHBondContact O-N 3.25Å; Y466-M470 WeakPolarHBondContact O-CG 3.43Å; Y466-M470 PolarHBondContact O-N 2.83Å
467	A	90.9	Very high	88.8	Confident	24 Å²	24	25.9 Å²	25.9	20%	0.198	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-42.2	175.8	0	0	0	0	0	112.3	G463 L464 F465 M470 A471 L504	G463-A467 PolarHBondContact O-N 3.24Å; L464-A467 PolarHBondContact O-N 3.5Å; F465-A467 VanDerWaalsContact C-N 3.32Å; F465-A467 PolarHBondContact O-N 3.48Å; A467-M470 PolarHBondContact O-N 2.91Å; A467-A471 VanDerWaalsContact O-CB 3.27Å; A467-A471 WeakPolarHBondContact O-CB 3.35Å; A467-A471 PolarHBondContact O-N 3.17Å; A467-L504 HydrophobicContact CB-CD1 4.38Å; A467-L504 HydrophobicContact CB-CD2 4.33Å
468	M	92.8	Very high	89	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-46.1	174.1	-71.5	166.1	63.5	0	0	111.8	F431 L464 F465 Y466 A471 L472 L504 K508 F725 L728	F431-M468 HydrophobicContact CE1-CB 4.34Å; L464-M468 VanDerWaalsContact O-CG 3.23Å; L464-M468 WeakPolarHBondContact O-CG 3.49Å; L464-M468 PolarHBondContact O-N 2.83Å; F465-M468 HydrophobicContact CD1-SD 4.05Å; F465-M468 PolarHBondContact O-N 2.96Å; Y466-M468 PolarHBondContact O-N 3.43Å; M468-A471 PolarHBondContact O-N 3.29Å; M468-L472 PolarHBondContact O-N 3.03Å; M468-L504 HydrophobicContact CG-CB 3.94Å; M468-K508 HydrophobicContact SD-CB 3.96Å; M468-K508 HydrophobicContact SD-CG 4.02Å; M468-F725 HydrophobicContact CB-CD2 4.27Å; M468-F725 HydrophobicContact CB-CE2 3.88Å; M468-F725 HydrophobicContact CB-CZ 4.15Å; M468-F725 HydrophobicContact CE-CB 4.33Å; M468-F725 HydrophobicContact CE-CD1 3.51Å; M468-F725 HydrophobicContact CE-CD2 4.22Å; M468-F725 HydrophobicContact CE-CE1 3.76Å; M468-F725 HydrophobicContact CE-CE2 4.43Å; M468-F725 HydrophobicContact CE-CG 3.77Å; M468-F725 HydrophobicContact CE-CZ 4.22Å; M468-F725 WeakPolarHBondContact O-CE2 3.42Å; M468-L728 HydrophobicContact CE-CD1 3.77Å
469	G	94.3	Very high	89.5	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-42.5	177.6	0	0	0	0	0	113.1	F465 Y466 L472 I473	F465-G469 PolarHBondContact O-N 2.85Å; Y466-G469 PolarHBondContact O-N 3.25Å; G469-L472 PolarHBondContact O-N 3.08Å; G469-I473 PolarHBondContact O-N 2.67Å
470	M	94.1	Very high	90.1	Very high	57 Å²	57	24 Å²	24	28%	0.281	13%	0.126	S	C	.	.	H	α-helix	trans	-66.9	-38.1	174.7	-70.8	-55	-52.6	0	0	112.4	I380 L432 Y466 A467 L472 I473 L474	I380-M470 HydrophobicContact CD1-CB 3.94Å; I380-M470 HydrophobicContact CD1-CE 3.45Å; I380-M470 VanDerWaalsContact CD1-CE 3.45Å; I380-M470 HydrophobicContact CD1-CG 3.67Å; I380-M470 HydrophobicContact CD1-SD 4.15Å; L432-M470 HydrophobicContact CD1-CG 4.35Å; L432-M470 HydrophobicContact CD1-SD 3.5Å; L432-M470 VanDerWaalsContact CD1-SD 3.5Å; L432-M470 HydrophobicContact CD2-CG 4.36Å; Y466-M470 WeakPolarHBondContact O-CG 3.43Å; Y466-M470 PolarHBondContact O-N 2.83Å; A467-M470 PolarHBondContact O-N 2.91Å; M470-L472 VanDerWaalsContact C-N 3.3Å; M470-L472 PolarHBondContact O-N 3.44Å; M470-I473 PolarHBondContact O-N 3.46Å; M470-I473 HydrophobicContact SD-CD1 4.23Å; M470-L474 WeakPolarHBondContact O-CG 3.36Å; M470-L474 PolarHBondContact O-N 2.84Å
471	A	92.8	Very high	90.6	Very high	5 Å²	5	21.9 Å²	21.9	4%	0.041	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-37.9	175.7	0	0	0	0	0	111.6	A467 M468 L474 E475 I501 L504	A467-A471 VanDerWaalsContact O-CB 3.27Å; A467-A471 WeakPolarHBondContact O-CB 3.35Å; A467-A471 PolarHBondContact O-N 3.17Å; M468-A471 PolarHBondContact O-N 3.29Å; A471-L474 PolarHBondContact O-N 3.46Å; A471-E475 WeakPolarHBondContact O-CB 3.06Å; A471-E475 PolarHBondContact O-N 3.49Å; A471-I501 HydrophobicContact CB-CD1 4.5Å; A471-I501 HydrophobicContact CB-CG1 3.7Å; A471-L504 HydrophobicContact CB-CD1 3.9Å
472	L	95.5	Very high	91.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-67	-36.5	175.2	-169.6	63.3	0	0	0	112.9	Y424 M468 G469 M470 E475 G476 I501 M721 F725	Y424-L472 WeakPolarHBondContact CB-O 3.44Å; Y424-L472 HydrophobicContact CD1-CD1 3.75Å; M468-L472 PolarHBondContact O-N 3.03Å; G469-L472 PolarHBondContact O-N 3.08Å; M470-L472 VanDerWaalsContact C-N 3.3Å; M470-L472 PolarHBondContact O-N 3.44Å; L472-E475 WeakPolarHBondContact O-CB 3.23Å; L472-G476 PolarHBondContact O-N 3.15Å; L472-I501 HydrophobicContact CD1-CD1 4.41Å; L472-M721 HydrophobicContact CD1-CB 4.09Å; L472-F725 HydrophobicContact CB-CE2 3.96Å; L472-F725 HydrophobicContact CD2-CD2 4.27Å; L472-F725 HydrophobicContact CD2-CE2 4.03Å; L472-F725 HydrophobicContact CG-CE2 4.46Å
473	I	95.6	Very high	91.3	Very high	19 Å²	19	20.9 Å²	20.9	10%	0.097	11%	0.114	C	C	.	.	H	α-helix	trans	-65.4	-45.8	173.5	-67	172.3	0	0	0	110.5	V425 I429 L432 G469 M470 E475 G476 I477	V425-I473 HydrophobicContact CG1-CG2 4.28Å; I429-I473 HydrophobicContact CG1-CD1 3.73Å; I429-I473 HydrophobicContact CG1-CG1 4.37Å; L432-I473 HydrophobicContact CD1-CD1 3.52Å; G469-I473 PolarHBondContact O-N 2.67Å; M470-I473 PolarHBondContact O-N 3.46Å; M470-I473 HydrophobicContact SD-CD1 4.23Å; I473-E475 VanDerWaalsContact C-N 3.34Å; I473-G476 PolarHBondContact O-N 2.94Å; I473-I477 HydrophobicContact CG2-CD1 3.96Å; I473-I477 WeakPolarHBondContact O-CG1 3.24Å; I473-I477 PolarHBondContact O-N 2.91Å
474	L	92.7	Very high	91.3	Very high	44 Å²	44	21.3 Å²	21.3	23%	0.23	11%	0.113	C	C	.	.	H	α-helix	trans	-66.9	-35.8	-179.6	-71.9	172	0	0	0	112.3	M470 A471 I477 L478 F497	M470-L474 WeakPolarHBondContact O-CG 3.36Å; M470-L474 PolarHBondContact O-N 2.84Å; A471-L474 PolarHBondContact O-N 3.46Å; L474-I477 PolarHBondContact O-N 3.29Å; L474-L478 WeakPolarHBondContact O-CB 3.25Å; L474-L478 WeakPolarHBondContact O-CG 3.24Å; L474-L478 PolarHBondContact O-N 2.87Å; L474-F497 HydrophobicContact CB-CD1 3.74Å; L474-F497 HydrophobicContact CB-CE1 3.4Å; L474-F497 VanDerWaalsContact CB-CE1 3.4Å; L474-F497 HydrophobicContact CB-CG 4.43Å; L474-F497 HydrophobicContact CB-CZ 3.85Å; L474-F497 HydrophobicContact CD1-CE1 3.53Å; L474-F497 HydrophobicContact CD1-CZ 3.81Å; L474-F497 HydrophobicContact CG-CE1 4.1Å; L474-F497 HydrophobicContact CG-CZ 4.39Å
475	E	93.5	Very high	91.3	Very high	11 Å²	11	20.8 Å²	20.8	5%	0.051	11%	0.111	C	C	.	.	H	α-helix	trans	-53.7	-52.2	168.4	177.7	75.9	168.3	0	0	110.7	A471 L472 I473 I477 L478 S479 F497 M498 I501	A471-E475 WeakPolarHBondContact O-CB 3.06Å; A471-E475 PolarHBondContact O-N 3.49Å; L472-E475 WeakPolarHBondContact O-CB 3.23Å; I473-E475 VanDerWaalsContact C-N 3.34Å; E475-I477 VanDerWaalsContact C-N 3.33Å; E475-I477 PolarHBondContact O-N 3.29Å; E475-L478 PolarHBondContact O-N 2.91Å; E475-S479 WeakPolarHBondContact O-CB 3.49Å; E475-S479 PolarHBondContact O-N 3.39Å; E475-F497 HydrophobicContact CB-CB 4.25Å; E475-F497 VanDerWaalsContact OE2-C 3.28Å; E475-F497 WeakPolarHBondContact OE2-CB 3.31Å; E475-M498 WeakPolarHBondContact OE1-CG 3.31Å; E475-M498 PolarHBondContact OE2-N 2.93Å; E475-M498 VanDerWaalsContact OE2-N 3.16Å; E475-I501 HydrophobicContact CB-CD1 3.87Å; E475-I501 HydrophobicContact CG-CD1 4.17Å
476	G	94.2	Very high	91.1	Very high	4 Å²	4	20 Å²	20	4%	0.041	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-40.7	179.1	0	0	0	0	0	113.7	N421 L472 I473 G480	N421-G476 VanDerWaalsContact CB-O 3.31Å; N421-G476 WeakPolarHBondContact CB-O 3.47Å; L472-G476 PolarHBondContact O-N 3.15Å; I473-G476 PolarHBondContact O-N 2.94Å; G476-G480 PolarHBondContact O-N 2.9Å; G476-G480 VanDerWaalsContact O-N 3.14Å
477	I	92.5	Very high	90.5	Very high	84 Å²	84	18 Å²	18	43%	0.431	10%	0.102	S	C	.	.	H	α-helix	trans	-66.4	-52.4	177.8	-65.3	168.8	0	0	0	109.9	V425 I473 L474 E475 G480 C481	V425-I477 HydrophobicContact CG2-CG1 4.11Å; I473-I477 HydrophobicContact CG2-CD1 3.96Å; I473-I477 WeakPolarHBondContact O-CG1 3.24Å; I473-I477 PolarHBondContact O-N 2.91Å; L474-I477 PolarHBondContact O-N 3.29Å; E475-I477 VanDerWaalsContact C-N 3.33Å; E475-I477 PolarHBondContact O-N 3.29Å; I477-G480 PolarHBondContact O-N 3.01Å; I477-C481 PolarHBondContact O-N 3.09Å; I477-C481 PolarHBondContact O-SG 3.1Å
478	L	89	Confident	89.8	Confident	20 Å²	20	23.5 Å²	23.5	11%	0.105	12%	0.119	C	C	.	.	H	α-helix	trans	-76.4	-29.9	-171.7	-68.1	169.1	0	0	0	113.7	L474 E475 C481 Y482 F493 F497	L474-L478 WeakPolarHBondContact O-CB 3.25Å; L474-L478 WeakPolarHBondContact O-CG 3.24Å; L474-L478 PolarHBondContact O-N 2.87Å; E475-L478 PolarHBondContact O-N 2.91Å; L478-C481 VanDerWaalsContact O-CB 3.31Å; L478-C481 WeakPolarHBondContact O-CB 3.42Å; L478-C481 PolarHBondContact O-N 3.24Å; L478-Y482 PolarHBondContact O-N 3.4Å; L478-F493 HydrophobicContact CB-CB 4.34Å; L478-F493 VanDerWaalsContact CB-O 3.28Å; L478-F493 WeakPolarHBondContact CB-O 3.36Å; L478-F497 HydrophobicContact CD1-CD2 3.25Å; L478-F497 HydrophobicContact CD1-CE2 3.02Å; L478-F497 HydrophobicContact CD1-CG 4.22Å; L478-F497 HydrophobicContact CD1-CZ 3.86Å
479	S	91.5	Very high	88.9	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-44.4	166.8	176	0	0	0	0	110.9	N421 E475 C481 Y482 H483 D494	N421-S479 WeakPolarHBondContact OD1-CB 3.45Å; N421-S479 PolarHBondContact OD1-OG 3.28Å; E475-S479 WeakPolarHBondContact O-CB 3.49Å; E475-S479 PolarHBondContact O-N 3.39Å; S479-C481 PolarHBondContact O-N 3.4Å; S479-Y482 WeakPolarHBondContact O-CB 3.41Å; S479-Y482 PolarHBondContact O-N 3.29Å; S479-Y482 VanDerWaalsContact O-N 3.12Å; S479-H483 PolarHBondContact O-CD2 3.31Å; S479-H483 VanDerWaalsContact O-CD2 3.26Å; S479-H483 PolarHBondContact O-N 2.93Å; S479-D494 WeakPolarHBondContact CB-OD1 3.48Å
480	G	89.8	Confident	88.1	Confident	5 Å²	5	27.5 Å²	27.5	5%	0.052	15%	0.145	C	C	.	.	H	α-helix	trans	-56.8	-39.6	172	0	0	0	0	0	112.1	G476 I477 H483 V484	G476-G480 PolarHBondContact O-N 2.9Å; G476-G480 VanDerWaalsContact O-N 3.14Å; I477-G480 PolarHBondContact O-N 3.01Å; G480-H483 PolarHBondContact O-N 3.46Å; G480-V484 PolarHBondContact O-N 3.43Å
481	C	87.4	Confident	87.4	Confident	21 Å²	21	25.7 Å²	25.7	14%	0.142	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-40.3	174.9	-67.6	0	0	0	0	114	L385 I477 L478 S479 H483 V484	L385-C481 HydrophobicContact CD1-CB 3.43Å; L385-C481 VanDerWaalsContact CD1-CB 3.43Å; L385-C481 WeakPolarHBondContact CD1-SG 3.42Å; L385-C481 HydrophobicContact CD2-CB 3.37Å; L385-C481 VanDerWaalsContact CD2-SG 3.52Å; L385-C481 HydrophobicContact CG-CB 3.86Å; I477-C481 PolarHBondContact O-N 3.09Å; I477-C481 PolarHBondContact O-SG 3.1Å; L478-C481 VanDerWaalsContact O-CB 3.31Å; L478-C481 WeakPolarHBondContact O-CB 3.42Å; L478-C481 PolarHBondContact O-N 3.24Å; S479-C481 PolarHBondContact O-N 3.4Å; C481-H483 VanDerWaalsContact C-N 3.29Å; C481-H483 PolarHBondContact O-N 3.32Å; C481-V484 WeakPolarHBondContact O-CB 3.47Å; C481-V484 PolarHBondContact O-N 3.27Å
482	Y	86.5	Confident	86.6	Confident	9 Å²	9	27.4 Å²	27.4	4%	0.035	14%	0.142	C	C	.	.	H	α-helix	trans	-58.4	-43.5	170.6	160.3	-107.7	0	0	0	111	L478 S479 V484 C485 P486 N490 F491 D494	L478-Y482 PolarHBondContact O-N 3.4Å; S479-Y482 WeakPolarHBondContact O-CB 3.41Å; S479-Y482 PolarHBondContact O-N 3.29Å; S479-Y482 VanDerWaalsContact O-N 3.12Å; Y482-V484 PolarHBondContact O-N 2.86Å; Y482-C485 CarbonylContact O-C 3.56Å; Y482-C485 PolarHBondContact O-N 3.06Å; Y482-C485 VanDerWaalsContact O-N 3.15Å; Y482-P486 HydrophobicContact CD2-CB 4.41Å; Y482-P486 HydrophobicContact CE1-CB 4.07Å; Y482-P486 HydrophobicContact CE2-CB 3.74Å; Y482-P486 WeakPolarHBondContact O-CA 3.45Å; Y482-P486 VanDerWaalsContact O-N 3.11Å; Y482-N490 HydrophobicContact CD2-CB 4.11Å; Y482-F491 HydrophobicContact CD2-CB 4.43Å; Y482-F491 HydrophobicContact CD2-CD2 4.48Å; Y482-F491 HydrophobicContact CE2-CB 4.03Å; Y482-F491 AromaticContact CE2-CD2 3.84Å; Y482-F491 HydrophobicContact CE2-CD2 3.84Å; Y482-F491 HydrophobicContact CE2-CG 4.45Å; Y482-F491 AromaticContact CZ-CD2 3.85Å; Y482-D494 HydrophobicContact CD1-CB 4.45Å; Y482-D494 HydrophobicContact CG-CB 4.38Å
483	H	88.6	Confident	85.7	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-8.2	178.9	-77.4	-64	0	0	0	114.9	Y401 N417 V418 S479 G480 C481 C485 H710 H714	Y401-H483 WeakPolarHBondContact CE1-O 3.43Å; N417-H483 HydrophobicContact CB-CB 4.29Å; V418-H483 HydrophobicContact CG2-CB 4.08Å; S479-H483 PolarHBondContact O-CD2 3.31Å; S479-H483 VanDerWaalsContact O-CD2 3.26Å; S479-H483 PolarHBondContact O-N 2.93Å; G480-H483 PolarHBondContact O-N 3.46Å; C481-H483 VanDerWaalsContact C-N 3.29Å; C481-H483 PolarHBondContact O-N 3.32Å; H483-C485 VanDerWaalsContact C-N 3.34Å; H483-H710 AromaticContact CE1-CD2 3.51Å; H483-H710 AromaticContact CE1-NE2 3.17Å; H483-H710 PolarHBondContact CE1-NE2 2.8Å; H483-H710 AromaticContact NE2-CD2 3.74Å; H483-H710 AromaticContact NE2-NE2 3.17Å; H483-H710 PolarHBondContact NE2-NE2 2.84Å; H483-H710 VanDerWaalsContact NE2-NE2 3.17Å; H483-H714 AromaticContact CD2-CE1 3.5Å; H483-H714 AromaticContact NE2-CE1 3.27Å; H483-H714 PolarHBondContact NE2-CE1 2.81Å; H483-H714 VanDerWaalsContact NE2-CE1 3.27Å; H483-H714 AromaticContact NE2-NE2 3.51Å
484	V	86.2	Confident	85.2	Confident	28 Å²	28	30.5 Å²	30.5	17%	0.17	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-39.9	167.7	176.3	0	0	0	0	110.9	L385 F387 Y401 L412 V418 G480 C481 Y482	L385-V484 HydrophobicContact CD2-CG2 4.25Å; F387-V484 HydrophobicContact CD2-CG1 3.72Å; F387-V484 HydrophobicContact CE2-CG1 3.74Å; Y401-V484 PolarHBondContact OH-O 3.14Å; L412-V484 HydrophobicContact CD2-CB 4.28Å; L412-V484 HydrophobicContact CD2-CG1 3.83Å; L412-V484 HydrophobicContact CD2-CG2 3.84Å; V418-V484 HydrophobicContact CG2-CG2 4.2Å; G480-V484 PolarHBondContact O-N 3.43Å; C481-V484 WeakPolarHBondContact O-CB 3.47Å; C481-V484 PolarHBondContact O-N 3.27Å; Y482-V484 PolarHBondContact O-N 2.86Å
485	C	85.5	Confident	84.9	Confident	15 Å²	15	28.5 Å²	28.5	10%	0.101	15%	0.146	C	C	.	.	S	Bend	trans	-152.1	91	170.5	174.2	0	0	0	0	109.1	V390 C399 Y401 Y482 H483 N487 N490	V390-C485 HydrophobicContact CG2-CB 4.44Å; C399-C485 HydrophobicContact CB-CB 4.04Å; C399-C485 WeakPolarHBondContact CB-SG 3.35Å; C399-C485 WeakPolarHBondContact SG-CB 3.11Å; C399-C485 CovalentContact SG-SG 2.04Å; C399-C485 PolarHBondContact SG-SG 3.09Å; Y401-C485 WeakPolarHBondContact OH-CA 3.13Å; Y482-C485 CarbonylContact O-C 3.56Å; Y482-C485 PolarHBondContact O-N 3.06Å; Y482-C485 VanDerWaalsContact O-N 3.15Å; H483-C485 VanDerWaalsContact C-N 3.34Å; C485-N487 PolarHBondContact O-N 3.22Å; C485-N490 PolarHBondContact O-ND2 3.35Å
486	P	86.2	Confident	84.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.			trans	-70.3	112.4	-178.7	26.3	-33.8	0	0	0	110	Y400 Y401 Y482	Y400-P486 VanDerWaalsContact C-CG 3.5Å; Y400-P486 PolarHBondContact N-O 3.03Å; Y400-P486 WeakPolarHBondContact O-CG 3.39Å; Y401-P486 HydrophobicContact CD1-CG 3.77Å; Y401-P486 HydrophobicContact CE1-CG 3.92Å; Y401-P486 HydrophobicContact CG-CG 4.34Å; Y482-P486 HydrophobicContact CD2-CB 4.41Å; Y482-P486 HydrophobicContact CE1-CB 4.07Å; Y482-P486 HydrophobicContact CE2-CB 3.74Å; Y482-P486 WeakPolarHBondContact O-CA 3.45Å; Y482-P486 VanDerWaalsContact O-N 3.11Å
487	N	80.6	Confident	84.4	Confident	28 Å²	28	30.8 Å²	30.8	15%	0.15	16%	0.157	C	C	.	.	S	Bend	trans	-150.3	172.7	175.2	66.3	34.7	0	0	0	109.8	C485 S489 N490 F491	C485-N487 PolarHBondContact O-N 3.22Å; N487-S489 PolarHBondContact O-N 2.96Å; N487-S489 WeakPolarHBondContact OD1-CB 3.35Å; N487-S489 PolarHBondContact OD1-N 3.49Å; N487-N490 PolarHBondContact ND2-ND2 2.94Å; N487-N490 PolarHBondContact O-N 3.27Å; N487-N490 WeakPolarHBondContact OD1-CB 3.46Å; N487-N490 PolarHBondContact OD1-N 3.4Å; N487-F491 PolarHBondContact O-N 3.47Å; N487-F491 VanDerWaalsContact O-N 3.11Å
488	Y	75.7	Confident	84.4	Confident	140 Å²	140	28.7 Å²	28.7	55%	0.549	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-30.2	-176.8	78.5	-88.8	0	0	0	113.5	V539	Y488-V539 HydrophobicContact CD2-CG1 3.92Å
489	S	74.5	Confident	84.6	Confident	56 Å²	56	27.8 Å²	27.8	39%	0.392	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-39.6	-179.6	-59.5	0	0	0	0	112.3	N487	N487-S489 PolarHBondContact O-N 2.96Å; N487-S489 WeakPolarHBondContact OD1-CB 3.35Å; N487-S489 PolarHBondContact OD1-N 3.49Å
490	N	78.4	Confident	84.5	Confident	29 Å²	29	29.3 Å²	29.3	16%	0.155	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.1	-177.6	-68.8	-17.5	0	0	0	112.8	Y482 C485 N487 Q492 F493	Y482-N490 HydrophobicContact CD2-CB 4.11Å; C485-N490 PolarHBondContact O-ND2 3.35Å; N487-N490 PolarHBondContact ND2-ND2 2.94Å; N487-N490 PolarHBondContact O-N 3.27Å; N487-N490 WeakPolarHBondContact OD1-CB 3.46Å; N487-N490 PolarHBondContact OD1-N 3.4Å; N490-Q492 PolarHBondContact O-N 3.47Å; N490-F493 HydrophobicContact CB-CD2 4.08Å; N490-F493 HydrophobicContact CB-CE2 4.28Å; N490-F493 WeakPolarHBondContact O-CB 3.43Å; N490-F493 WeakPolarHBondContact O-CD2 3.36Å; N490-F493 PolarHBondContact O-N 2.88Å
491	F	78.5	Confident	84.7	Confident	19 Å²	19	29.4 Å²	29.4	8%	0.083	15%	0.148	C	C	.	.	H	α-helix	trans	-58.2	-22.2	-177.7	-173.4	-120.9	0	0	0	114.1	Y482 N487 F493 T495 D627 P629 W687	Y482-F491 HydrophobicContact CD2-CB 4.43Å; Y482-F491 HydrophobicContact CD2-CD2 4.48Å; Y482-F491 HydrophobicContact CE2-CB 4.03Å; Y482-F491 AromaticContact CE2-CD2 3.84Å; Y482-F491 HydrophobicContact CE2-CD2 3.84Å; Y482-F491 HydrophobicContact CE2-CG 4.45Å; Y482-F491 AromaticContact CZ-CD2 3.85Å; N487-F491 PolarHBondContact O-N 3.47Å; N487-F491 VanDerWaalsContact O-N 3.11Å; F491-F493 VanDerWaalsContact C-N 3.33Å; F491-T495 HydrophobicContact CD1-CG2 4.06Å; F491-T495 HydrophobicContact CD2-CG2 4.39Å; F491-T495 HydrophobicContact CE1-CG2 3.54Å; F491-T495 HydrophobicContact CE2-CG2 3.89Å; F491-T495 HydrophobicContact CG-CG2 4.47Å; F491-T495 HydrophobicContact CZ-CG2 3.43Å; F491-T495 VanDerWaalsContact CZ-CG2 3.43Å; F491-T495 PolarHBondContact O-N 3.29Å; F491-T495 PolarHBondContact O-OG1 3.3Å; F491-D627 VanDerWaalsContact CE1-OD1 3.31Å; F491-D627 WeakPolarHBondContact CE1-OD1 3.42Å; F491-P629 HydrophobicContact CD1-CB 4.1Å; F491-P629 HydrophobicContact CD1-CG 4.13Å; F491-P629 HydrophobicContact CE1-CB 3.8Å; F491-P629 HydrophobicContact CE1-CG 4.2Å; F491-W687 HydrophobicContact CD1-CH2 4.39Å; F491-W687 AromaticContact CD1-CZ2 3.54Å; F491-W687 HydrophobicContact CD1-CZ2 3.54Å; F491-W687 AromaticContact CD2-NE1 3.69Å; F491-W687 AromaticContact CE1-CZ2 3.61Å; F491-W687 HydrophobicContact CE1-CZ2 3.61Å; F491-W687 AromaticContact CE2-NE1 3.91Å; F491-W687 HydrophobicContact CG-CZ2 4.06Å; F491-W687 AromaticContact CG-NE1 3.84Å; F491-W687 HydrophobicContact CZ-CZ2 4.19Å
492	Q	76	Confident	85	Confident	40 Å²	40	28.6 Å²	28.6	19%	0.187	14%	0.142	C	C	.	.	H	α-helix	trans	-73	-24.1	177.9	-64.5	171.4	35.7	0	0	113.4	N490 D494 T495 A496	N490-Q492 PolarHBondContact O-N 3.47Å; Q492-D494 VanDerWaalsContact C-N 3.28Å; Q492-D494 PolarHBondContact O-N 3.3Å; Q492-T495 WeakPolarHBondContact CA-OG1 3.5Å; Q492-A496 WeakPolarHBondContact O-CB 3.11Å; Q492-A496 PolarHBondContact O-N 3.23Å
493	F	77	Confident	85.3	Confident	75 Å²	75	28.8 Å²	28.8	33%	0.329	15%	0.146	S	C	.	.	H	α-helix	trans	-63.1	-38.3	179.2	-65.1	-42.9	0	0	0	111.9	L478 N490 F491	L478-F493 HydrophobicContact CB-CB 4.34Å; L478-F493 VanDerWaalsContact CB-O 3.28Å; L478-F493 WeakPolarHBondContact CB-O 3.36Å; N490-F493 HydrophobicContact CB-CD2 4.08Å; N490-F493 HydrophobicContact CB-CE2 4.28Å; N490-F493 WeakPolarHBondContact O-CB 3.43Å; N490-F493 WeakPolarHBondContact O-CD2 3.36Å; N490-F493 PolarHBondContact O-N 2.88Å; F491-F493 VanDerWaalsContact C-N 3.33Å
494	D	84.1	Confident	85.4	Confident	10 Å²	10	29.8 Å²	29.8	5%	0.053	15%	0.151	C	C	.	.	H	α-helix	trans	-75.4	-63.3	174.9	-176.2	24.4	0	0	0	110.6	S479 Y482 Q492 A496 F497	S479-D494 WeakPolarHBondContact CB-OD1 3.48Å; Y482-D494 HydrophobicContact CD1-CB 4.45Å; Y482-D494 HydrophobicContact CG-CB 4.38Å; Q492-D494 VanDerWaalsContact C-N 3.28Å; Q492-D494 PolarHBondContact O-N 3.3Å; D494-A496 VanDerWaalsContact C-N 3.27Å; D494-A496 PolarHBondContact O-N 3.24Å; D494-F497 PolarHBondContact O-N 2.99Å; D494-F497 VanDerWaalsContact O-N 3.1Å
495	T	87.5	Confident	85.7	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-28	-171.9	52.2	0	0	0	0	115.5	F491 Q492 F497 M498 Y499 P629 V633	F491-T495 HydrophobicContact CD1-CG2 4.06Å; F491-T495 HydrophobicContact CD2-CG2 4.39Å; F491-T495 HydrophobicContact CE1-CG2 3.54Å; F491-T495 HydrophobicContact CE2-CG2 3.89Å; F491-T495 HydrophobicContact CG-CG2 4.47Å; F491-T495 HydrophobicContact CZ-CG2 3.43Å; F491-T495 VanDerWaalsContact CZ-CG2 3.43Å; F491-T495 PolarHBondContact O-N 3.29Å; F491-T495 PolarHBondContact O-OG1 3.3Å; Q492-T495 WeakPolarHBondContact CA-OG1 3.5Å; T495-F497 VanDerWaalsContact C-N 3.33Å; T495-F497 PolarHBondContact O-N 3.4Å; T495-M498 HydrophobicContact CG2-SD 4.32Å; T495-M498 WeakPolarHBondContact O-CB 3.31Å; T495-M498 PolarHBondContact O-N 2.98Å; T495-Y499 VanDerWaalsContact O-CD2 3.28Å; T495-Y499 WeakPolarHBondContact O-CD2 3.44Å; T495-Y499 WeakPolarHBondContact O-CE2 3.28Å; T495-Y499 PolarHBondContact O-N 3.02Å; T495-P629 HydrophobicContact CG2-CB 4.24Å; T495-V633 HydrophobicContact CG2-CG2 4.32Å
496	A	87.8	Confident	86	Confident	14 Å²	14	30.1 Å²	30.1	12%	0.116	15%	0.15	C	C	.	.	H	α-helix	trans	-61.9	-40.1	177.9	0	0	0	0	0	112.5	Q492 D494 Y499 M500 I532	Q492-A496 WeakPolarHBondContact O-CB 3.11Å; Q492-A496 PolarHBondContact O-N 3.23Å; D494-A496 VanDerWaalsContact C-N 3.27Å; D494-A496 PolarHBondContact O-N 3.24Å; A496-Y499 PolarHBondContact O-N 3.15Å; A496-M500 WeakPolarHBondContact O-CG 3.44Å; A496-M500 PolarHBondContact O-N 3.4Å; A496-M500 VanDerWaalsContact O-N 3.15Å; A496-I532 HydrophobicContact CB-CD1 4.11Å; A496-I532 HydrophobicContact CB-CG1 4.19Å
497	F	89.6	Confident	86	Confident	49 Å²	49	33.1 Å²	33.1	22%	0.215	17%	0.166	C	C	.	.	H	α-helix	trans	-78.7	-28.2	-179.4	-86.4	-93.2	0	0	0	112.4	L474 E475 L478 D494 T495 Y499 M500 I501	L474-F497 HydrophobicContact CB-CD1 3.74Å; L474-F497 HydrophobicContact CB-CE1 3.4Å; L474-F497 VanDerWaalsContact CB-CE1 3.4Å; L474-F497 HydrophobicContact CB-CG 4.43Å; L474-F497 HydrophobicContact CB-CZ 3.85Å; L474-F497 HydrophobicContact CD1-CE1 3.53Å; L474-F497 HydrophobicContact CD1-CZ 3.81Å; L474-F497 HydrophobicContact CG-CE1 4.1Å; L474-F497 HydrophobicContact CG-CZ 4.39Å; E475-F497 HydrophobicContact CB-CB 4.25Å; E475-F497 VanDerWaalsContact OE2-C 3.28Å; E475-F497 WeakPolarHBondContact OE2-CB 3.31Å; L478-F497 HydrophobicContact CD1-CD2 3.25Å; L478-F497 HydrophobicContact CD1-CE2 3.02Å; L478-F497 HydrophobicContact CD1-CG 4.22Å; L478-F497 HydrophobicContact CD1-CZ 3.86Å; D494-F497 PolarHBondContact O-N 2.99Å; D494-F497 VanDerWaalsContact O-N 3.1Å; T495-F497 VanDerWaalsContact C-N 3.33Å; T495-F497 PolarHBondContact O-N 3.4Å; F497-Y499 VanDerWaalsContact C-N 3.32Å; F497-Y499 PolarHBondContact O-N 3.18Å; F497-M500 PolarHBondContact O-N 3.23Å; F497-I501 WeakPolarHBondContact O-CB 3.34Å; F497-I501 VanDerWaalsContact O-CG1 3.28Å; F497-I501 WeakPolarHBondContact O-CG1 3.44Å; F497-I501 PolarHBondContact O-N 3.49Å
498	M	92.4	Very high	86.5	Confident	39 Å²	39	32.2 Å²	32.2	19%	0.192	16%	0.161	C	C	.	.	H	α-helix	trans	-55.2	-45.8	165.3	-57.2	-178.5	83.7	0	0	112	E475 T495 I501 A502 V633	E475-M498 WeakPolarHBondContact OE1-CG 3.31Å; E475-M498 PolarHBondContact OE2-N 2.93Å; E475-M498 VanDerWaalsContact OE2-N 3.16Å; T495-M498 HydrophobicContact CG2-SD 4.32Å; T495-M498 WeakPolarHBondContact O-CB 3.31Å; T495-M498 PolarHBondContact O-N 2.98Å; M498-I501 PolarHBondContact O-N 2.95Å; M498-A502 WeakPolarHBondContact O-CB 2.93Å; M498-A502 PolarHBondContact O-N 2.87Å; M498-V633 HydrophobicContact CB-CG2 4.27Å; M498-V633 HydrophobicContact CE-CG1 3.69Å; M498-V633 HydrophobicContact SD-CG1 4.22Å; M498-V633 HydrophobicContact SD-CG2 3.99Å
499	Y	92.2	Very high	87.2	Confident	1 Å²	1	25.7 Å²	25.7	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-63.9	-44.4	176	-53.5	-41.6	0	0	0	112.1	T495 A496 F497 A502 A503 A535 P629 L632 V633 F636	T495-Y499 VanDerWaalsContact O-CD2 3.28Å; T495-Y499 WeakPolarHBondContact O-CD2 3.44Å; T495-Y499 WeakPolarHBondContact O-CE2 3.28Å; T495-Y499 PolarHBondContact O-N 3.02Å; A496-Y499 PolarHBondContact O-N 3.15Å; F497-Y499 VanDerWaalsContact C-N 3.32Å; F497-Y499 PolarHBondContact O-N 3.18Å; Y499-A502 PolarHBondContact O-N 2.95Å; Y499-A503 VanDerWaalsContact O-CB 3.31Å; Y499-A503 WeakPolarHBondContact O-CB 3.13Å; Y499-A503 PolarHBondContact O-N 3.41Å; Y499-A535 HydrophobicContact CE2-CB 4.13Å; Y499-P629 WeakPolarHBondContact OH-CA 2.99Å; Y499-P629 VanDerWaalsContact OH-CB 3.26Å; Y499-P629 WeakPolarHBondContact OH-CB 3.44Å; Y499-P629 PolarHBondContact OH-O 2.02Å; Y499-L632 HydrophobicContact CE1-CB 3.91Å; Y499-L632 HydrophobicContact CE1-CD2 4.04Å; Y499-L632 HydrophobicContact CE1-CG 3.89Å; Y499-L632 HydrophobicContact CE2-CD2 4.1Å; Y499-V633 HydrophobicContact CD1-CG2 3.97Å; Y499-V633 HydrophobicContact CE1-CB 4.05Å; Y499-V633 HydrophobicContact CE1-CG2 3.24Å; Y499-F636 HydrophobicContact CD1-CD2 4.2Å; Y499-F636 HydrophobicContact CD1-CG 4.34Å
500	M	91.1	Very high	87.7	Confident	34 Å²	34	25.4 Å²	25.4	17%	0.167	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-46.8	178.1	-73	-62.3	-51.8	0	0	111.2	A496 F497 A503 L504 M528	A496-M500 WeakPolarHBondContact O-CG 3.44Å; A496-M500 PolarHBondContact O-N 3.4Å; A496-M500 VanDerWaalsContact O-N 3.15Å; F497-M500 PolarHBondContact O-N 3.23Å; M500-A503 PolarHBondContact O-N 2.68Å; M500-L504 WeakPolarHBondContact O-CB 3.14Å; M500-L504 WeakPolarHBondContact O-CG 3.13Å; M500-L504 PolarHBondContact O-N 3.48Å; M500-M528 HydrophobicContact CE-CB 4.49Å; M500-M528 HydrophobicContact CE-CG 4.12Å; M500-M528 HydrophobicContact CG-CE 4.21Å; M500-M528 HydrophobicContact SD-CB 3.46Å; M500-M528 WeakPolarHBondContact SD-CB 3.35Å; M500-M528 HydrophobicContact SD-CE 3.55Å; M500-M528 VanDerWaalsContact SD-CE 3.55Å; M500-M528 HydrophobicContact SD-CG 3.44Å; M500-M528 WeakPolarHBondContact SD-CG 3.18Å; M500-M528 HydrophobicContact SD-SD 4.22Å
501	I	93.4	Very high	88	Confident	7 Å²	7	24.7 Å²	24.7	4%	0.036	12%	0.122	C	C	.	.	H	α-helix	trans	-62.8	-45.9	178.6	-69.4	166.6	0	0	0	110.4	A471 L472 E475 F497 M498 A503 L504 C505 M721 F725	A471-I501 HydrophobicContact CB-CD1 4.5Å; A471-I501 HydrophobicContact CB-CG1 3.7Å; L472-I501 HydrophobicContact CD1-CD1 4.41Å; E475-I501 HydrophobicContact CB-CD1 3.87Å; E475-I501 HydrophobicContact CG-CD1 4.17Å; F497-I501 WeakPolarHBondContact O-CB 3.34Å; F497-I501 VanDerWaalsContact O-CG1 3.28Å; F497-I501 WeakPolarHBondContact O-CG1 3.44Å; F497-I501 PolarHBondContact O-N 3.49Å; M498-I501 PolarHBondContact O-N 2.95Å; I501-A503 PolarHBondContact O-N 3.44Å; I501-L504 PolarHBondContact O-N 2.81Å; I501-C505 WeakPolarHBondContact O-CB 3.47Å; I501-C505 PolarHBondContact O-N 3.21Å; I501-C505 PolarHBondContact O-SG 2.66Å; I501-M721 HydrophobicContact CB-CE 4.5Å; I501-M721 HydrophobicContact CG2-CE 3.26Å; I501-F725 HydrophobicContact CG2-CE1 3.79Å; I501-F725 HydrophobicContact CG2-CZ 3.58Å
502	A	94.1	Very high	88.3	Confident	4 Å²	4	24.5 Å²	24.5	3%	0.033	12%	0.121	C	C	.	.	H	α-helix	trans	-61.5	-43.9	178.1	0	0	0	0	0	112	M498 Y499 C505 M506 F636 L640	M498-A502 WeakPolarHBondContact O-CB 2.93Å; M498-A502 PolarHBondContact O-N 2.87Å; Y499-A502 PolarHBondContact O-N 2.95Å; A502-C505 PolarHBondContact O-N 3.34Å; A502-M506 WeakPolarHBondContact O-CG 3.38Å; A502-M506 PolarHBondContact O-N 3.38Å; A502-F636 HydrophobicContact CB-CB 3.92Å; A502-F636 HydrophobicContact CB-CD1 3.99Å; A502-F636 HydrophobicContact CB-CG 4.44Å; A502-L640 HydrophobicContact CB-CD2 4.4Å
503	A	91.3	Very high	88.7	Confident	13 Å²	13	22.7 Å²	22.7	11%	0.107	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-44.6	176.1	0	0	0	0	0	112.5	Y499 M500 I501 C505 M506 L507 M528 F636	Y499-A503 VanDerWaalsContact O-CB 3.31Å; Y499-A503 WeakPolarHBondContact O-CB 3.13Å; Y499-A503 PolarHBondContact O-N 3.41Å; M500-A503 PolarHBondContact O-N 2.68Å; I501-A503 PolarHBondContact O-N 3.44Å; A503-C505 VanDerWaalsContact C-N 3.34Å; A503-C505 PolarHBondContact O-N 3.23Å; A503-M506 PolarHBondContact O-N 3.39Å; A503-L507 WeakPolarHBondContact O-CB 3.37Å; A503-L507 WeakPolarHBondContact O-CG 3.35Å; A503-L507 PolarHBondContact O-N 3.01Å; A503-M528 HydrophobicContact CB-CE 4.07Å; A503-M528 HydrophobicContact CB-SD 3.57Å; A503-M528 VanDerWaalsContact CB-SD 3.57Å; A503-F636 HydrophobicContact CB-CE1 4.38Å
504	L	91.4	Very high	88.8	Confident	22 Å²	22	19.8 Å²	19.8	12%	0.115	10%	0.1	C	C	.	.	H	α-helix	trans	-62.5	-40.2	176.3	-72.7	171.6	0	0	0	111.6	L464 A467 M468 A471 M500 I501 L507 K508	L464-L504 HydrophobicContact CD2-CD2 3.78Å; A467-L504 HydrophobicContact CB-CD1 4.38Å; A467-L504 HydrophobicContact CB-CD2 4.33Å; M468-L504 HydrophobicContact CG-CB 3.94Å; A471-L504 HydrophobicContact CB-CD1 3.9Å; M500-L504 WeakPolarHBondContact O-CB 3.14Å; M500-L504 WeakPolarHBondContact O-CG 3.13Å; M500-L504 PolarHBondContact O-N 3.48Å; I501-L504 PolarHBondContact O-N 2.81Å; L504-L507 PolarHBondContact O-N 3.02Å; L504-K508 VanDerWaalsContact O-CB 3.29Å; L504-K508 WeakPolarHBondContact O-CB 3.34Å; L504-K508 PolarHBondContact O-N 3.46Å
505	C	93.3	Very high	88.2	Confident	5 Å²	5	19.6 Å²	19.6	3%	0.034	10%	0.099	C	C	.	.	H	α-helix	trans	-63.8	-45.3	174.7	-67.2	0	0	0	0	111.6	I501 A502 A503 K508 I509 L640 F725 L728	I501-C505 WeakPolarHBondContact O-CB 3.47Å; I501-C505 PolarHBondContact O-N 3.21Å; I501-C505 PolarHBondContact O-SG 2.66Å; A502-C505 PolarHBondContact O-N 3.34Å; A503-C505 VanDerWaalsContact C-N 3.34Å; A503-C505 PolarHBondContact O-N 3.23Å; C505-K508 PolarHBondContact O-N 3.15Å; C505-I509 VanDerWaalsContact O-CG1 3.29Å; C505-I509 WeakPolarHBondContact O-CG1 3.41Å; C505-I509 PolarHBondContact O-N 3.4Å; C505-L640 HydrophobicContact CB-CD1 3.47Å; C505-L640 VanDerWaalsContact CB-CD1 3.47Å; C505-L640 HydrophobicContact CB-CD2 3.85Å; C505-L640 HydrophobicContact CB-CG 4.32Å; C505-F725 VanDerWaalsContact SG-CE1 3.52Å; C505-L728 HydrophobicContact CB-CD1 4.19Å
506	M	90.5	Very high	87.2	Confident	44 Å²	44	20.3 Å²	20.3	22%	0.217	10%	0.103	C	C	.	.	H	α-helix	trans	-61.3	-46.3	175.8	-72.6	-173.6	-79.5	0	0	111.6	A502 A503 K508 I509 Y510 F636 N639 L640 Y643	A502-M506 WeakPolarHBondContact O-CG 3.38Å; A502-M506 PolarHBondContact O-N 3.38Å; A503-M506 PolarHBondContact O-N 3.39Å; M506-K508 VanDerWaalsContact C-N 3.29Å; M506-K508 PolarHBondContact O-N 3.16Å; M506-I509 PolarHBondContact O-N 3.43Å; M506-Y510 PolarHBondContact O-N 3.29Å; M506-F636 HydrophobicContact CE-CD1 3.71Å; M506-F636 HydrophobicContact CE-CE1 4.13Å; M506-N639 HydrophobicContact SD-CB 4.4Å; M506-L640 HydrophobicContact CG-CB 4.11Å; M506-L640 HydrophobicContact CG-CD1 3.71Å; M506-Y643 HydrophobicContact CB-CD1 4.25Å; M506-Y643 HydrophobicContact CG-CD1 4.28Å; M506-Y643 WeakPolarHBondContact O-CE1 3.19Å
507	L	87.4	Confident	86.1	Confident	64 Å²	64	21.7 Å²	21.7	34%	0.335	11%	0.108	S	C	.	.	H	α-helix	trans	-60.3	-39.6	175.3	-73.4	174.3	0	0	0	111.8	A503 L504 Y510 Q511 A519	A503-L507 WeakPolarHBondContact O-CB 3.37Å; A503-L507 WeakPolarHBondContact O-CG 3.35Å; A503-L507 PolarHBondContact O-N 3.01Å; L504-L507 PolarHBondContact O-N 3.02Å; L507-Y510 PolarHBondContact O-N 2.86Å; L507-Q511 WeakPolarHBondContact O-CB 3.4Å; L507-Q511 PolarHBondContact O-N 3.28Å; L507-A519 HydrophobicContact CD2-CB 4.43Å
508	K	89.7	Confident	85	Confident	8 Å²	8	22.4 Å²	22.4	4%	0.035	11%	0.114	C	C	.	.	H	α-helix	trans	-64.3	-47.8	176.9	-176	68.4	-138.3	173.2	0	111.3	H461 L464 F465 M468 L504 C505 M506 Y510 Q511 I512	H461-K508 PolarHBondContact O-NZ 3.37Å; H461-K508 VanDerWaalsContact O-NZ 3.11Å; L464-K508 HydrophobicContact CB-CD 3.99Å; F465-K508 HydrophobicContact CD1-CD 4.11Å; F465-K508 HydrophobicContact CD1-CG 4.42Å; F465-K508 HydrophobicContact CD2-CD 4.46Å; F465-K508 HydrophobicContact CE1-CD 3.78Å; F465-K508 HydrophobicContact CE1-CG 3.89Å; F465-K508 HydrophobicContact CE2-CD 4.15Å; F465-K508 HydrophobicContact CG-CD 4.45Å; F465-K508 HydrophobicContact CZ-CD 3.82Å; F465-K508 HydrophobicContact CZ-CG 4.23Å; M468-K508 HydrophobicContact SD-CB 3.96Å; M468-K508 HydrophobicContact SD-CG 4.02Å; L504-K508 VanDerWaalsContact O-CB 3.29Å; L504-K508 WeakPolarHBondContact O-CB 3.34Å; L504-K508 PolarHBondContact O-N 3.46Å; C505-K508 PolarHBondContact O-N 3.15Å; M506-K508 VanDerWaalsContact C-N 3.29Å; M506-K508 PolarHBondContact O-N 3.16Å; K508-Y510 VanDerWaalsContact C-N 3.25Å; K508-Y510 PolarHBondContact O-N 3.46Å; K508-Q511 VanDerWaalsContact NZ-OE1 3.15Å; K508-Q511 PolarHBondContact O-N 2.62Å; K508-I512 VanDerWaalsContact O-CG1 3.28Å; K508-I512 WeakPolarHBondContact O-CG1 3.36Å; K508-I512 PolarHBondContact O-N 2.67Å; K508-I512 VanDerWaalsContact O-N 3.13Å
509	I	90.4	Very high	83.8	Confident	3 Å²	3	23.2 Å²	23.2	2%	0.015	13%	0.127	C	C	.	.	H	α-helix	trans	-56.7	-43.1	176.5	-66.3	165.5	0	0	0	110.3	C505 M506 L640 Y643 L644 Y647 L728	C505-I509 VanDerWaalsContact O-CG1 3.29Å; C505-I509 WeakPolarHBondContact O-CG1 3.41Å; C505-I509 PolarHBondContact O-N 3.4Å; M506-I509 PolarHBondContact O-N 3.43Å; I509-L640 HydrophobicContact CD1-CD1 3.77Å; I509-Y643 HydrophobicContact CB-CD1 4.02Å; I509-Y643 HydrophobicContact CB-CE1 3.8Å; I509-Y643 HydrophobicContact CD1-CD1 4.36Å; I509-Y643 HydrophobicContact CG2-CD1 3.86Å; I509-Y643 HydrophobicContact CG2-CD2 4.09Å; I509-Y643 HydrophobicContact CG2-CE1 3.64Å; I509-Y643 HydrophobicContact CG2-CE2 3.86Å; I509-Y643 HydrophobicContact CG2-CG 4.08Å; I509-L644 HydrophobicContact CD1-CB 4.19Å; I509-L644 HydrophobicContact CD1-CD1 4.37Å; I509-Y647 HydrophobicContact CG2-CD2 3.73Å; I509-Y647 HydrophobicContact CG2-CG 4.1Å; I509-L728 HydrophobicContact CD1-CD2 4.15Å; I509-L728 HydrophobicContact CG1-CD2 3.58Å
510	Y	85.3	Confident	82.9	Confident	51 Å²	51	27.6 Å²	27.6	20%	0.2	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-46.1	177.8	-173.8	-94.4	0	0	0	113	M506 L507 K508 I512 R513 H514 I517 F565 Y643	M506-Y510 PolarHBondContact O-N 3.29Å; L507-Y510 PolarHBondContact O-N 2.86Å; K508-Y510 VanDerWaalsContact C-N 3.25Å; K508-Y510 PolarHBondContact O-N 3.46Å; Y510-I512 VanDerWaalsContact C-N 3.26Å; Y510-I512 PolarHBondContact O-N 2.92Å; Y510-R513 PolarHBondContact O-N 3.29Å; Y510-H514 HydrophobicContact CD1-CB 4.31Å; Y510-H514 HydrophobicContact CE1-CB 3.94Å; Y510-H514 AromaticContact CE2-CE1 3.98Å; Y510-H514 AromaticContact CE2-ND1 3.89Å; Y510-H514 AromaticContact CZ-CG 3.94Å; Y510-H514 AromaticContact CZ-ND1 3.91Å; Y510-H514 PolarHBondContact O-N 3.48Å; Y510-H514 PolarHBondContact O-ND1 3.28Å; Y510-I517 HydrophobicContact CE1-CB 4.14Å; Y510-I517 HydrophobicContact CE1-CD1 3.68Å; Y510-I517 HydrophobicContact CE1-CG1 4.5Å; Y510-I517 HydrophobicContact CE1-CG2 3.97Å; Y510-I517 VanDerWaalsContact OH-CD1 3.25Å; Y510-I517 WeakPolarHBondContact OH-CD1 3.35Å; Y510-F565 HydrophobicContact CD2-CE1 4.13Å; Y510-F565 HydrophobicContact CE2-CE1 4.47Å; Y510-Y643 WeakPolarHBondContact CA-OH 3.23Å; Y510-Y643 VanDerWaalsContact CB-OH 3.29Å; Y510-Y643 WeakPolarHBondContact CB-OH 3.03Å; Y510-Y643 VanDerWaalsContact CD2-OH 3.29Å; Y510-Y643 WeakPolarHBondContact CD2-OH 3.48Å; Y510-Y643 PolarHBondContact N-OH 2.83Å
511	Q	84.1	Confident	82.1	Confident	14 Å²	14	27.5 Å²	27.5	7%	0.065	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-30.6	-178.1	-165.8	-164.1	32.2	0	0	112.6	H461 L464 L507 K508 R513 H514 N518	H461-Q511 PolarHBondContact CD2-NE2 3.14Å; L464-Q511 HydrophobicContact CD1-CB 4.4Å; L464-Q511 VanDerWaalsContact CD1-OE1 3.23Å; L507-Q511 WeakPolarHBondContact O-CB 3.4Å; L507-Q511 PolarHBondContact O-N 3.28Å; K508-Q511 VanDerWaalsContact NZ-OE1 3.15Å; K508-Q511 PolarHBondContact O-N 2.62Å; Q511-R513 VanDerWaalsContact C-N 3.26Å; Q511-R513 PolarHBondContact O-N 2.84Å; Q511-H514 CarbonylContact O-C 2.94Å; Q511-H514 VanDerWaalsContact O-C 3.25Å; Q511-H514 PolarHBondContact O-N 2.95Å; Q511-H514 VanDerWaalsContact O-N 3.13Å; Q511-N518 PolarHBondContact NE2-OD1 3.19Å
512	I	85.8	Confident	81.4	Confident	14 Å²	14	33.5 Å²	33.5	7%	0.072	18%	0.181	C	C	.	.	H	α-helix	trans	-54.8	-40.5	-178.1	-73.6	166.8	0	0	0	112.1	I458 K508 Y510 Y647 I731 D732	I458-I512 HydrophobicContact CD1-CG2 4.07Å; I458-I512 WeakPolarHBondContact CG2-O 3.48Å; K508-I512 VanDerWaalsContact O-CG1 3.28Å; K508-I512 WeakPolarHBondContact O-CG1 3.36Å; K508-I512 PolarHBondContact O-N 2.67Å; K508-I512 VanDerWaalsContact O-N 3.13Å; Y510-I512 VanDerWaalsContact C-N 3.26Å; Y510-I512 PolarHBondContact O-N 2.92Å; I512-Y647 HydrophobicContact CB-CE2 4.33Å; I512-Y647 HydrophobicContact CG2-CE2 3.99Å; I512-Y647 WeakPolarHBondContact CG2-OH 3.48Å; I512-I731 HydrophobicContact CD1-CG2 4.15Å; I512-D732 WeakPolarHBondContact CG2-OD2 3.49Å
513	R	85	Confident	80.7	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-100	-7.9	177.9	-62.1	-67.1	167.7	149.4	-0.4	113.8	Y510 Q511 P515 Y647 E656 D732 P744 V745 F746	Y510-R513 PolarHBondContact O-N 3.29Å; Q511-R513 VanDerWaalsContact C-N 3.26Å; Q511-R513 PolarHBondContact O-N 2.84Å; R513-P515 WeakPolarHBondContact O-CD 3.31Å; R513-Y647 HydrophobicContact CG-CE2 3.82Å; R513-Y647 PolarHBondContact NE-OH 2.69Å; R513-Y647 PolarHBondContact NH2-OH 2.85Å; R513-Y647 VanDerWaalsContact NH2-OH 3.11Å; R513-E656 IonicContact CZ-OE1 2.71Å; R513-E656 IonicContact CZ-OE2 2.85Å; R513-E656 IonicContact NH1-OE1 3.13Å; R513-E656 PolarHBondContact NH1-OE1 3.24Å; R513-E656 IonicContact NH1-OE2 3.06Å; R513-E656 PolarHBondContact NH1-OE2 3.2Å; R513-E656 IonicContact NH2-OE1 2.78Å; R513-E656 IonicContact NH2-OE2 2.7Å; R513-E656 PolarHBondContact NH2-OE2 3.46Å; R513-D732 IonicContact CZ-OD1 3.77Å; R513-D732 IonicContact NH2-OD1 2.71Å; R513-D732 PolarHBondContact NH2-OD1 3.26Å; R513-P744 PolarHBondContact NH1-O 3.22Å; R513-V745 HydrophobicContact CB-CG1 4.34Å; R513-V745 WeakPolarHBondContact O-CG1 3.42Å; R513-V745 WeakPolarHBondContact O-CG2 3.27Å; R513-F746 HydrophobicContact CG-CE1 4.31Å; R513-F746 HydrophobicContact CG-CE2 4.14Å; R513-F746 HydrophobicContact CG-CZ 4.02Å
514	H	79.6	Confident	80.1	Confident	14 Å²	14	37.9 Å²	37.9	7%	0.065	21%	0.208	C	C	.	.			trans	-124	65.4	179.4	-56	87.6	0	0	0	110.8	Y510 Q511 D516 I517 V745 F746	Y510-H514 HydrophobicContact CD1-CB 4.31Å; Y510-H514 HydrophobicContact CE1-CB 3.94Å; Y510-H514 AromaticContact CE2-CE1 3.98Å; Y510-H514 AromaticContact CE2-ND1 3.89Å; Y510-H514 AromaticContact CZ-CG 3.94Å; Y510-H514 AromaticContact CZ-ND1 3.91Å; Y510-H514 PolarHBondContact O-N 3.48Å; Y510-H514 PolarHBondContact O-ND1 3.28Å; Q511-H514 CarbonylContact O-C 2.94Å; Q511-H514 VanDerWaalsContact O-C 3.25Å; Q511-H514 PolarHBondContact O-N 2.95Å; Q511-H514 VanDerWaalsContact O-N 3.13Å; H514-D516 PolarHBondContact O-N 3.2Å; H514-D516 VanDerWaalsContact O-N 3.15Å; H514-I517 HydrophobicContact CB-CB 4.3Å; H514-I517 HydrophobicContact CB-CD1 3.97Å; H514-I517 HydrophobicContact CB-CG1 4.24Å; H514-I517 PolarHBondContact O-N 3.14Å; H514-I517 VanDerWaalsContact O-N 3.07Å; H514-V745 WeakPolarHBondContact NE2-CG1 3.49Å; H514-F746 PolarHBondContact CE1-O 2.86Å
515	P	70.6	Confident	79.6	Confident	6 Å²	6	42.4 Å²	42.4	4%	0.039	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.6	-174.4	27.1	-35.4	0	0	0	113.7	V363 L366 P459 R513	V363-P515 HydrophobicContact CG1-CG 4.31Å; L366-P515 HydrophobicContact CB-CG 4.3Å; P459-P515 HydrophobicContact CB-CB 4.06Å; P459-P515 HydrophobicContact CG-CB 4.16Å; P459-P515 HydrophobicContact CG-CG 4.23Å; R513-P515 WeakPolarHBondContact O-CD 3.31Å
516	D	65.3	Low	79.3	Confident	18 Å²	18	49.1 Å²	49.1	10%	0.096	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-22.1	174.8	62.6	-39.8	0	0	0	113.9	R356 L366 K369 H514 N518	R356-D516 IonicContact CZ-OD2 3.41Å; R356-D516 IonicContact NE-OD2 2.72Å; R356-D516 IonicContact NH2-OD2 2.81Å; R356-D516 PolarHBondContact NH2-OD2 3.46Å; L366-D516 HydrophobicContact CB-CB 4.27Å; L366-D516 WeakPolarHBondContact O-CB 3.44Å; K369-D516 PolarHBondContact NZ-O 3.35Å; H514-D516 PolarHBondContact O-N 3.2Å; H514-D516 VanDerWaalsContact O-N 3.15Å; D516-N518 PolarHBondContact O-N 3.03Å
517	I	65.6	Low	79.1	Confident	44 Å²	44	50.4 Å²	50.4	23%	0.226	26%	0.264	C	S	.	.			trans	-94.4	98.2	-176.8	-57	176.1	0	0	0	109.1	Y510 H514	Y510-I517 HydrophobicContact CE1-CB 4.14Å; Y510-I517 HydrophobicContact CE1-CD1 3.68Å; Y510-I517 HydrophobicContact CE1-CG1 4.5Å; Y510-I517 HydrophobicContact CE1-CG2 3.97Å; Y510-I517 VanDerWaalsContact OH-CD1 3.25Å; Y510-I517 WeakPolarHBondContact OH-CD1 3.35Å; H514-I517 HydrophobicContact CB-CB 4.3Å; H514-I517 HydrophobicContact CB-CD1 3.97Å; H514-I517 HydrophobicContact CB-CG1 4.24Å; H514-I517 PolarHBondContact O-N 3.14Å; H514-I517 VanDerWaalsContact O-N 3.07Å
518	N	66.9	Low	79.1	Confident	63 Å²	63	48 Å²	48	34%	0.337	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-98	119.6	161.2	-69.8	-23.7	0	0	0	107.9	N374 Q511 D516 N520	N374-N518 PolarHBondContact ND2-ND2 3.42Å; N374-N518 PolarHBondContact OD1-ND2 3.43Å; Q511-N518 PolarHBondContact NE2-OD1 3.19Å; D516-N518 PolarHBondContact O-N 3.03Å; N518-N520 PolarHBondContact O-N 3.47Å
519	A	66.4	Low	79	Confident	56 Å²	56	50.4 Å²	50.4	46%	0.463	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-61.1	132.5	169.9	0	0	0	0	0	108.6	L507 S521	L507-A519 HydrophobicContact CD2-CB 4.43Å; A519-S521 PolarHBondContact O-N 3.05Å; A519-S521 VanDerWaalsContact O-N 3.16Å
520	N	73.6	Confident	79	Confident	93 Å²	93	54 Å²	54	50%	0.497	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-62	120.7	172.7	-177.9	-2.2	0	0	0	108.1	N518 H522 V523 A524	N518-N520 PolarHBondContact O-N 3.47Å; N520-H522 PolarHBondContact O-N 3.13Å; N520-H522 PolarHBondContact OD1-N 2.98Å; N520-V523 HydrophobicContact CB-CB 4.24Å; N520-V523 HydrophobicContact CB-CG2 3.91Å; N520-V523 PolarHBondContact O-N 3.42Å; N520-A524 PolarHBondContact O-N 3.48Å
521	S	73.8	Confident	79.3	Confident	33 Å²	33	52.9 Å²	52.9	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-56.4	-38.8	-175.9	54.4	0	0	0	0	111.7	A519 V523 A524 Y525	A519-S521 PolarHBondContact O-N 3.05Å; A519-S521 VanDerWaalsContact O-N 3.16Å; S521-V523 VanDerWaalsContact C-N 3.33Å; S521-V523 PolarHBondContact O-N 3.21Å; S521-A524 PolarHBondContact O-N 3.43Å; S521-Y525 WeakPolarHBondContact O-CB 3.4Å; S521-Y525 WeakPolarHBondContact O-CD2 3.43Å; S521-Y525 PolarHBondContact O-N 3.49Å
522	H	78.7	Confident	79.4	Confident	132 Å²	132	54.6 Å²	54.6	61%	0.611	30%	0.298	S	S	*	.	H	α-helix	trans	-61.1	-40	176.1	-64	-69.7	0	0	0	112.9	N520 F526	N520-H522 PolarHBondContact O-N 3.13Å; N520-H522 PolarHBondContact OD1-N 2.98Å; H522-F526 WeakPolarHBondContact O-CB 3.2Å; H522-F526 PolarHBondContact O-N 3.35Å
523	V	80.7	Confident	79.6	Confident	83 Å²	83	59 Å²	59	50%	0.503	32%	0.32	S	S	.	.	H	α-helix	trans	-70.8	-43.7	178.1	178.6	0	0	0	0	110.1	N520 S521 Y525 F526 V527	N520-V523 HydrophobicContact CB-CB 4.24Å; N520-V523 HydrophobicContact CB-CG2 3.91Å; N520-V523 PolarHBondContact O-N 3.42Å; S521-V523 VanDerWaalsContact C-N 3.33Å; S521-V523 PolarHBondContact O-N 3.21Å; V523-Y525 PolarHBondContact O-N 2.89Å; V523-F526 PolarHBondContact O-N 2.93Å; V523-V527 HydrophobicContact CG1-CG2 4.41Å; V523-V527 WeakPolarHBondContact O-CG2 3.37Å; V523-V527 PolarHBondContact O-N 3.37Å
524	A	78.1	Confident	79.8	Confident	26 Å²	26	60.8 Å²	60.8	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-59.7	-46.4	176.7	0	0	0	0	0	111.5	N520 S521 F526 V527 M528	N520-A524 PolarHBondContact O-N 3.48Å; S521-A524 PolarHBondContact O-N 3.43Å; A524-F526 PolarHBondContact O-N 3.22Å; A524-V527 PolarHBondContact O-N 3.38Å; A524-M528 VanDerWaalsContact O-CG 3.3Å; A524-M528 WeakPolarHBondContact O-CG 3.26Å; A524-M528 PolarHBondContact O-N 3.46Å
525	Y	81.7	Confident	80.2	Confident	118 Å²	118	60.2 Å²	60.2	46%	0.463	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-40.1	176.8	-64.1	-37.6	0	0	0	112.8	Y378 S521 V523 M528 A529	Y378-Y525 VanDerWaalsContact CD1-OH 3.28Å; Y378-Y525 WeakPolarHBondContact CD1-OH 3.38Å; Y378-Y525 WeakPolarHBondContact CE1-OH 3.31Å; S521-Y525 WeakPolarHBondContact O-CB 3.4Å; S521-Y525 WeakPolarHBondContact O-CD2 3.43Å; S521-Y525 PolarHBondContact O-N 3.49Å; V523-Y525 PolarHBondContact O-N 2.89Å; Y525-M528 PolarHBondContact O-N 2.73Å; Y525-A529 WeakPolarHBondContact O-CB 3.27Å; Y525-A529 PolarHBondContact O-N 3.19Å
526	F	86.1	Confident	80.9	Confident	145 Å²	145	62 Å²	62	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-63.9	-44.3	176.4	-179	-99.7	0	0	0	112.1	H522 V523 A524 M528 A529 L530	H522-F526 WeakPolarHBondContact O-CB 3.2Å; H522-F526 PolarHBondContact O-N 3.35Å; V523-F526 PolarHBondContact O-N 2.93Å; A524-F526 PolarHBondContact O-N 3.22Å; F526-M528 VanDerWaalsContact C-N 3.34Å; F526-M528 PolarHBondContact O-N 2.91Å; F526-A529 PolarHBondContact O-N 3.39Å; F526-L530 PolarHBondContact O-N 3.5Å
527	V	86.8	Confident	81.9	Confident	71 Å²	71	63.8 Å²	63.8	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-44.2	176.3	171.1	0	0	0	0	110.7	V523 A524 L530 I531	V523-V527 HydrophobicContact CG1-CG2 4.41Å; V523-V527 WeakPolarHBondContact O-CG2 3.37Å; V523-V527 PolarHBondContact O-N 3.37Å; A524-V527 PolarHBondContact O-N 3.38Å; V527-L530 WeakPolarHBondContact O-CB 3.47Å; V527-L530 PolarHBondContact O-N 2.89Å; V527-I531 HydrophobicContact CG1-CD1 3.87Å; V527-I531 WeakPolarHBondContact O-CD1 3.42Å; V527-I531 WeakPolarHBondContact O-CG1 3.16Å; V527-I531 PolarHBondContact O-N 2.96Å
528	M	87.2	Confident	82.9	Confident	15 Å²	15	61.7 Å²	61.7	7%	0.074	34%	0.339	C	S	.	.	H	α-helix	trans	-65.7	-39.7	177.3	-67.7	-53.3	-53.8	0	0	112.6	M500 A503 A524 Y525 F526 L530 I531 I532	M500-M528 HydrophobicContact CE-CB 4.49Å; M500-M528 HydrophobicContact CE-CG 4.12Å; M500-M528 HydrophobicContact CG-CE 4.21Å; M500-M528 HydrophobicContact SD-CB 3.46Å; M500-M528 WeakPolarHBondContact SD-CB 3.35Å; M500-M528 HydrophobicContact SD-CE 3.55Å; M500-M528 VanDerWaalsContact SD-CE 3.55Å; M500-M528 HydrophobicContact SD-CG 3.44Å; M500-M528 WeakPolarHBondContact SD-CG 3.18Å; M500-M528 HydrophobicContact SD-SD 4.22Å; A503-M528 HydrophobicContact CB-CE 4.07Å; A503-M528 HydrophobicContact CB-SD 3.57Å; A503-M528 VanDerWaalsContact CB-SD 3.57Å; A524-M528 VanDerWaalsContact O-CG 3.3Å; A524-M528 WeakPolarHBondContact O-CG 3.26Å; A524-M528 PolarHBondContact O-N 3.46Å; Y525-M528 PolarHBondContact O-N 2.73Å; F526-M528 VanDerWaalsContact C-N 3.34Å; F526-M528 PolarHBondContact O-N 2.91Å; M528-L530 VanDerWaalsContact C-N 3.31Å; M528-L530 PolarHBondContact O-N 2.95Å; M528-I531 HydrophobicContact CE-CD1 4.38Å; M528-I531 PolarHBondContact O-N 3.16Å; M528-I531 HydrophobicContact SD-CD1 3.83Å; M528-I532 VanDerWaalsContact O-CG1 3.31Å; M528-I532 WeakPolarHBondContact O-CG1 3.4Å; M528-I532 PolarHBondContact O-N 3.45Å
529	A	88.2	Confident	83.5	Confident	57 Å²	57	59.7 Å²	59.7	47%	0.471	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-38.5	174.2	0	0	0	0	0	112.1	Y525 F526 I532 L533	Y525-A529 WeakPolarHBondContact O-CB 3.27Å; Y525-A529 PolarHBondContact O-N 3.19Å; F526-A529 PolarHBondContact O-N 3.39Å; A529-I532 PolarHBondContact O-N 3.25Å; A529-L533 WeakPolarHBondContact O-CB 3.31Å; A529-L533 PolarHBondContact O-N 3.41Å
530	L	90.6	Very high	84.1	Confident	80 Å²	80	61.4 Å²	61.4	42%	0.419	33%	0.334	S	S	.	.	H	α-helix	trans	-64.7	-41.6	174.3	-170.3	100.2	0	0	0	111.9	F526 V527 M528 L533 L534 F553	F526-L530 PolarHBondContact O-N 3.5Å; V527-L530 WeakPolarHBondContact O-CB 3.47Å; V527-L530 PolarHBondContact O-N 2.89Å; M528-L530 VanDerWaalsContact C-N 3.31Å; M528-L530 PolarHBondContact O-N 2.95Å; L530-L533 PolarHBondContact O-N 3.36Å; L530-L534 WeakPolarHBondContact O-CB 3.46Å; L530-L534 PolarHBondContact O-N 2.89Å; L530-F553 HydrophobicContact CD2-CZ 4.33Å
531	I	89.6	Confident	84.5	Confident	27 Å²	27	64.6 Å²	64.6	14%	0.138	34%	0.34	C	S	.	.	H	α-helix	trans	-63.6	-44.1	176.5	-68.3	157.7	0	0	0	110.6	V527 M528 L534 A535 L632 F636	V527-I531 HydrophobicContact CG1-CD1 3.87Å; V527-I531 WeakPolarHBondContact O-CD1 3.42Å; V527-I531 WeakPolarHBondContact O-CG1 3.16Å; V527-I531 PolarHBondContact O-N 2.96Å; M528-I531 HydrophobicContact CE-CD1 4.38Å; M528-I531 PolarHBondContact O-N 3.16Å; M528-I531 HydrophobicContact SD-CD1 3.83Å; I531-L534 WeakPolarHBondContact O-CB 3.42Å; I531-L534 PolarHBondContact O-N 3.33Å; I531-A535 PolarHBondContact O-N 3.04Å; I531-L632 HydrophobicContact CG2-CD2 3.88Å; I531-F636 HydrophobicContact CD1-CZ 3.88Å; I531-F636 HydrophobicContact CG2-CE2 4.15Å; I531-F636 HydrophobicContact CG2-CZ 4Å
532	I	88.1	Confident	84.7	Confident	50 Å²	50	65.9 Å²	65.9	26%	0.256	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-44.8	176.4	-66.5	165	0	0	0	110.2	A496 M528 A529 L534 A535 V536	A496-I532 HydrophobicContact CB-CD1 4.11Å; A496-I532 HydrophobicContact CB-CG1 4.19Å; M528-I532 VanDerWaalsContact O-CG1 3.31Å; M528-I532 WeakPolarHBondContact O-CG1 3.4Å; M528-I532 PolarHBondContact O-N 3.45Å; A529-I532 PolarHBondContact O-N 3.25Å; I532-L534 VanDerWaalsContact C-N 3.31Å; I532-L534 PolarHBondContact O-N 3.41Å; I532-A535 WeakPolarHBondContact O-CA 3.4Å; I532-A535 WeakPolarHBondContact O-CB 3.43Å; I532-A535 PolarHBondContact O-N 3.43Å; I532-A535 VanDerWaalsContact O-N 3.08Å; I532-V536 HydrophobicContact CG2-CG2 4.42Å; I532-V536 WeakPolarHBondContact O-CG2 3.21Å; I532-V536 PolarHBondContact O-N 3.17Å
533	L	88.8	Confident	84.9	Confident	105 Å²	105	61.4 Å²	61.4	55%	0.55	34%	0.339	S	S	.	.	H	α-helix	trans	-58	-43.8	175.2	-179.8	65.2	0	0	0	111.8	A529 L530 A535 V536 V537	A529-L533 WeakPolarHBondContact O-CB 3.31Å; A529-L533 PolarHBondContact O-N 3.41Å; L530-L533 PolarHBondContact O-N 3.36Å; L533-A535 VanDerWaalsContact C-N 3.3Å; L533-A535 PolarHBondContact O-N 3.46Å; L533-V536 WeakPolarHBondContact O-CB 3.34Å; L533-V536 PolarHBondContact O-N 3.24Å; L533-V537 WeakPolarHBondContact O-CG2 3.48Å; L533-V537 PolarHBondContact O-N 3.13Å
534	L	89.8	Confident	85.3	Confident	40 Å²	40	62.2 Å²	62.2	21%	0.209	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-39.5	175.5	-179.5	66.5	0	0	0	111.6	L530 I531 I532 V537 G538 F546 F550 F553 F628	L530-L534 WeakPolarHBondContact O-CB 3.46Å; L530-L534 PolarHBondContact O-N 2.89Å; I531-L534 WeakPolarHBondContact O-CB 3.42Å; I531-L534 PolarHBondContact O-N 3.33Å; I532-L534 VanDerWaalsContact C-N 3.31Å; I532-L534 PolarHBondContact O-N 3.41Å; L534-V537 PolarHBondContact O-N 3.01Å; L534-G538 PolarHBondContact O-N 3.48Å; L534-F546 HydrophobicContact CD1-CE2 4.01Å; L534-F546 HydrophobicContact CD1-CZ 4.42Å; L534-F550 HydrophobicContact CD1-CD2 4.31Å; L534-F550 HydrophobicContact CD2-CD2 3.87Å; L534-F550 HydrophobicContact CD2-CE2 3.9Å; L534-F550 HydrophobicContact CG-CD2 4.34Å; L534-F553 HydrophobicContact CD2-CD1 4.26Å; L534-F553 HydrophobicContact CD2-CE1 4.07Å; L534-F628 HydrophobicContact CG-CE1 4.25Å; L534-F628 HydrophobicContact CG-CZ 4.24Å; L534-F628 WeakPolarHBondContact O-CE1 3.46Å
535	A	88	Confident	85.9	Confident	3 Å²	3	65.4 Å²	65.4	3%	0.025	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-45.7	174.1	0	0	0	0	0	112	Y499 I531 I532 L533 V537 G538 V539 L632	Y499-A535 HydrophobicContact CE2-CB 4.13Å; I531-A535 PolarHBondContact O-N 3.04Å; I532-A535 WeakPolarHBondContact O-CA 3.4Å; I532-A535 WeakPolarHBondContact O-CB 3.43Å; I532-A535 PolarHBondContact O-N 3.43Å; I532-A535 VanDerWaalsContact O-N 3.08Å; L533-A535 VanDerWaalsContact C-N 3.3Å; L533-A535 PolarHBondContact O-N 3.46Å; A535-V537 PolarHBondContact O-N 3.11Å; A535-G538 PolarHBondContact O-N 3.25Å; A535-V539 WeakPolarHBondContact O-CG2 3.25Å; A535-V539 PolarHBondContact O-N 3.44Å; A535-V539 VanDerWaalsContact O-N 3.11Å; A535-L632 HydrophobicContact CB-CD2 4.25Å
536	V	84.6	Confident	86.3	Confident	42 Å²	42	60.5 Å²	60.5	26%	0.255	34%	0.339	S	S	.	.	H	α-helix	trans	-58.7	-48.3	175.8	-173.2	0	0	0	0	110.8	I532 L533 G538 V539 V540	I532-V536 HydrophobicContact CG2-CG2 4.42Å; I532-V536 WeakPolarHBondContact O-CG2 3.21Å; I532-V536 PolarHBondContact O-N 3.17Å; L533-V536 WeakPolarHBondContact O-CB 3.34Å; L533-V536 PolarHBondContact O-N 3.24Å; V536-G538 VanDerWaalsContact C-N 3.3Å; V536-G538 PolarHBondContact O-N 2.94Å; V536-V539 PolarHBondContact O-N 3.08Å; V536-V539 VanDerWaalsContact O-N 3.17Å; V536-V540 WeakPolarHBondContact O-CG2 3.41Å; V536-V540 PolarHBondContact O-N 2.97Å; V536-V540 VanDerWaalsContact O-N 3.1Å
537	V	87.2	Confident	86.6	Confident	56 Å²	56	53.7 Å²	53.7	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-40	179.4	172.5	0	0	0	0	110.7	L533 L534 A535 V539 V540 Y541 F546	L533-V537 WeakPolarHBondContact O-CG2 3.48Å; L533-V537 PolarHBondContact O-N 3.13Å; L534-V537 PolarHBondContact O-N 3.01Å; A535-V537 PolarHBondContact O-N 3.11Å; V537-V539 VanDerWaalsContact C-N 3.29Å; V537-V539 PolarHBondContact O-N 3.41Å; V537-V540 PolarHBondContact O-N 2.94Å; V537-Y541 HydrophobicContact CG1-CD2 4.26Å; V537-Y541 WeakPolarHBondContact O-CA 3.42Å; V537-Y541 WeakPolarHBondContact O-CB 3.28Å; V537-Y541 PolarHBondContact O-N 3.45Å; V537-F546 HydrophobicContact CB-CE2 4.46Å; V537-F546 HydrophobicContact CG1-CD2 3.95Å; V537-F546 HydrophobicContact CG1-CE2 3.97Å
538	G	85.8	Confident	86.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-26.7	177.2	0	0	0	0	0	114.5	L534 A535 V536	L534-G538 PolarHBondContact O-N 3.48Å; A535-G538 PolarHBondContact O-N 3.25Å; V536-G538 VanDerWaalsContact C-N 3.3Å; V536-G538 PolarHBondContact O-N 2.94Å
539	V	79.2	Confident	87.1	Confident	22 Å²	22	57.2 Å²	57.2	13%	0.133	33%	0.329	C	S	.	.	H	α-helix	trans	-73.7	-45.1	172.2	174.4	0	0	0	0	111.1	Y488 A535 V536 V537 P629	Y488-V539 HydrophobicContact CD2-CG1 3.92Å; A535-V539 WeakPolarHBondContact O-CG2 3.25Å; A535-V539 PolarHBondContact O-N 3.44Å; A535-V539 VanDerWaalsContact O-N 3.11Å; V536-V539 PolarHBondContact O-N 3.08Å; V536-V539 VanDerWaalsContact O-N 3.17Å; V537-V539 VanDerWaalsContact C-N 3.29Å; V537-V539 PolarHBondContact O-N 3.41Å; V539-P629 HydrophobicContact CG2-CG 3.3Å
540	V	80	Confident	87.3	Confident	91 Å²	91	54.9 Å²	54.9	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-75.3	-38	-177.2	179.6	0	0	0	0	111.9	V536 V537	V536-V540 WeakPolarHBondContact O-CG2 3.41Å; V536-V540 PolarHBondContact O-N 2.97Å; V536-V540 VanDerWaalsContact O-N 3.1Å; V537-V540 PolarHBondContact O-N 2.94Å
541	Y	82.7	Confident	87.4	Confident	160 Å²	160	52.2 Å²	52.2	63%	0.627	30%	0.295	S	S	*	.			trans	-123.3	83.2	-176.4	-63.6	-79.8	0	0	0	110.5	V537 G543 F546	V537-Y541 HydrophobicContact CG1-CD2 4.26Å; V537-Y541 WeakPolarHBondContact O-CA 3.42Å; V537-Y541 WeakPolarHBondContact O-CB 3.28Å; V537-Y541 PolarHBondContact O-N 3.45Å; Y541-G543 VanDerWaalsContact C-N 3.3Å; Y541-G543 PolarHBondContact O-N 3.31Å; Y541-F546 WeakPolarHBondContact O-CB 3.46Å; Y541-F546 WeakPolarHBondContact O-CD1 3.48Å; Y541-F546 WeakPolarHBondContact O-CG 3.46Å
542	S	76.1	Confident	87.6	Confident	60 Å²	60	56 Å²	56	42%	0.42	31%	0.314	S	S	.	.			trans	-90	12.6	178.3	58.4	0	0	0	0	114.3	W547	S542-W547 PolarHBondContact O-NE1 3.39Å
543	G	84.3	Confident	87.8	Confident	39 Å²	39	57.8 Å²	57.8	40%	0.402	32%	0.32	S	S	.	.	S	Bend	trans	-71.7	165.6	-177.1	0	0	0	0	0	114.2	Y541 P545 F546 W547	Y541-G543 VanDerWaalsContact C-N 3.3Å; Y541-G543 PolarHBondContact O-N 3.31Å; G543-P545 VanDerWaalsContact C-N 3.32Å; G543-F546 WeakPolarHBondContact O-CB 3.32Å; G543-F546 PolarHBondContact O-N 3.44Å; G543-W547 PolarHBondContact O-N 2.92Å
544	L	88	Confident	88	Confident	99 Å²	99	53.4 Å²	53.4	52%	0.518	30%	0.297	S	S	.	.	H	α-helix	trans	-51.3	-38.4	177.3	-175.8	136	0	0	0	114.7	F546 W547 I548	L544-F546 VanDerWaalsContact C-N 3.33Å; L544-F546 PolarHBondContact O-N 2.9Å; L544-W547 PolarHBondContact O-N 2.93Å; L544-I548 HydrophobicContact CD2-CD1 3.54Å; L544-I548 HydrophobicContact CD2-CG1 4.42Å; L544-I548 HydrophobicContact CG-CD1 4.24Å; L544-I548 WeakPolarHBondContact O-CG1 3.48Å; L544-I548 PolarHBondContact O-N 3.43Å; L544-I548 VanDerWaalsContact O-N 3.09Å
545	P	90.6	Very high	88.2	Confident	93 Å²	93	52.7 Å²	52.7	60%	0.604	30%	0.297	S	S	*	.	H	α-helix	trans	-60.2	-39.9	175.8	-24.9	35.2	0	0	0	113.5	G543 I548 T549	G543-P545 VanDerWaalsContact C-N 3.32Å; P545-I548 PolarHBondContact O-N 2.98Å; P545-T549 WeakPolarHBondContact O-CG2 3.46Å; P545-T549 PolarHBondContact O-N 3.39Å; P545-T549 VanDerWaalsContact O-N 3.1Å; P545-T549 PolarHBondContact O-OG1 2.88Å
546	F	91.5	Very high	88.3	Confident	16 Å²	16	56.2 Å²	56.2	7%	0.07	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-43.3	177.5	168.9	-96.1	0	0	0	111.3	L534 V537 Y541 G543 L544 I548 T549 F550 F628	L534-F546 HydrophobicContact CD1-CE2 4.01Å; L534-F546 HydrophobicContact CD1-CZ 4.42Å; V537-F546 HydrophobicContact CB-CE2 4.46Å; V537-F546 HydrophobicContact CG1-CD2 3.95Å; V537-F546 HydrophobicContact CG1-CE2 3.97Å; Y541-F546 WeakPolarHBondContact O-CB 3.46Å; Y541-F546 WeakPolarHBondContact O-CD1 3.48Å; Y541-F546 WeakPolarHBondContact O-CG 3.46Å; G543-F546 WeakPolarHBondContact O-CB 3.32Å; G543-F546 PolarHBondContact O-N 3.44Å; L544-F546 VanDerWaalsContact C-N 3.33Å; L544-F546 PolarHBondContact O-N 2.9Å; F546-I548 VanDerWaalsContact C-N 3.33Å; F546-I548 PolarHBondContact O-N 3.33Å; F546-T549 PolarHBondContact O-N 3.47Å; F546-T549 PolarHBondContact O-OG1 3.13Å; F546-F550 HydrophobicContact CE1-CB 4.48Å; F546-F550 HydrophobicContact CZ-CB 4.42Å; F546-F550 VanDerWaalsContact O-CB 3.24Å; F546-F550 WeakPolarHBondContact O-CB 3.31Å; F546-F550 PolarHBondContact O-N 3.05Å; F546-F628 HydrophobicContact CE1-CD1 4.41Å; F546-F628 AromaticContact CE1-CD2 3.58Å; F546-F628 HydrophobicContact CE1-CD2 3.58Å; F546-F628 HydrophobicContact CE1-CE1 4.47Å; F546-F628 AromaticContact CE1-CE2 3.65Å; F546-F628 HydrophobicContact CE1-CE2 3.65Å; F546-F628 AromaticContact CE1-CG 3.98Å; F546-F628 HydrophobicContact CE1-CG 3.98Å; F546-F628 HydrophobicContact CE1-CZ 4.11Å; F546-F628 HydrophobicContact CZ-CD1 4.03Å; F546-F628 AromaticContact CZ-CD2 3.9Å; F546-F628 HydrophobicContact CZ-CD2 3.9Å; F546-F628 AromaticContact CZ-CE1 3.8Å; F546-F628 HydrophobicContact CZ-CE1 3.8Å; F546-F628 AromaticContact CZ-CE2 3.66Å; F546-F628 HydrophobicContact CZ-CE2 3.66Å; F546-F628 HydrophobicContact CZ-CG 4.07Å; F546-F628 AromaticContact CZ-CZ 3.61Å; F546-F628 HydrophobicContact CZ-CZ 3.61Å
547	W	92.4	Very high	88.6	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-63.5	-36.7	177.9	-79.6	102.4	0	0	0	113.1	S542 G543 L544 F550 T551 M621 Q624 P625 F628 F631	S542-W547 PolarHBondContact O-NE1 3.39Å; G543-W547 PolarHBondContact O-N 2.92Å; L544-W547 PolarHBondContact O-N 2.93Å; W547-F550 HydrophobicContact CE3-CD1 4.35Å; W547-F550 HydrophobicContact CZ3-CD1 4.27Å; W547-T551 WeakPolarHBondContact O-CB 3.33Å; W547-T551 PolarHBondContact O-N 2.93Å; W547-T551 PolarHBondContact O-OG1 2.92Å; W547-M621 HydrophobicContact CB-SD 4.12Å; W547-Q624 HydrophobicContact CB-CG 4.46Å; W547-Q624 HydrophobicContact CD2-CB 4.37Å; W547-Q624 HydrophobicContact CD2-CG 4.16Å; W547-Q624 HydrophobicContact CG-CB 4.32Å; W547-Q624 HydrophobicContact CG-CG 3.83Å; W547-P625 VanDerWaalsContact CH2-CD 3.45Å; W547-P625 HydrophobicContact CH2-CG 3.61Å; W547-P625 VanDerWaalsContact CZ2-CD 3.44Å; W547-P625 HydrophobicContact CZ2-CG 3.82Å; W547-P625 WeakPolarHBondContact CZ2-O 3.3Å; W547-F628 AromaticContact CH2-CD2 3.88Å; W547-F628 HydrophobicContact CH2-CD2 3.88Å; W547-F628 HydrophobicContact CH2-CE2 4.42Å; W547-F628 HydrophobicContact CZ2-CD2 4.13Å; W547-F628 HydrophobicContact CZ3-CD2 4.47Å; W547-F631 AromaticContact CH2-CD1 3.9Å; W547-F631 HydrophobicContact CH2-CD1 3.9Å; W547-F631 HydrophobicContact CH2-CE1 4.07Å; W547-F631 HydrophobicContact CH2-CG 4.41Å; W547-F631 HydrophobicContact CZ3-CD1 4.18Å; W547-F631 AromaticContact CZ3-CE1 3.87Å; W547-F631 HydrophobicContact CZ3-CE1 3.87Å; W547-F631 HydrophobicContact CZ3-CZ 4.43Å
548	I	92	Very high	88.8	Confident	73 Å²	73	55.3 Å²	55.3	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-49.8	174.5	-67.6	170.6	0	0	0	110.8	L544 P545 F546 T551 I552 M621	L544-I548 HydrophobicContact CD2-CD1 3.54Å; L544-I548 HydrophobicContact CD2-CG1 4.42Å; L544-I548 HydrophobicContact CG-CD1 4.24Å; L544-I548 WeakPolarHBondContact O-CG1 3.48Å; L544-I548 PolarHBondContact O-N 3.43Å; L544-I548 VanDerWaalsContact O-N 3.09Å; P545-I548 PolarHBondContact O-N 2.98Å; F546-I548 VanDerWaalsContact C-N 3.33Å; F546-I548 PolarHBondContact O-N 3.33Å; I548-T551 PolarHBondContact O-N 2.86Å; I548-I552 HydrophobicContact CG2-CD1 4.02Å; I548-I552 WeakPolarHBondContact O-CG1 3.46Å; I548-I552 PolarHBondContact O-N 3.46Å; I548-I552 VanDerWaalsContact O-N 3.09Å; I548-M621 HydrophobicContact CG1-CE 4.18Å
549	T	91.7	Very high	88.9	Confident	87 Å²	87	61.3 Å²	61.3	53%	0.534	34%	0.335	S	S	.	.	H	α-helix	trans	-65.1	-43.8	-178.4	55.4	0	0	0	0	111.6	P545 F546 T551 I552 F553	P545-T549 WeakPolarHBondContact O-CG2 3.46Å; P545-T549 PolarHBondContact O-N 3.39Å; P545-T549 VanDerWaalsContact O-N 3.1Å; P545-T549 PolarHBondContact O-OG1 2.88Å; F546-T549 PolarHBondContact O-N 3.47Å; F546-T549 PolarHBondContact O-OG1 3.13Å; T549-T551 VanDerWaalsContact C-N 3.34Å; T549-T551 PolarHBondContact O-N 3.42Å; T549-I552 PolarHBondContact O-N 2.98Å; T549-F553 WeakPolarHBondContact O-CB 3.28Å; T549-F553 PolarHBondContact O-N 2.86Å
550	F	92.6	Very high	89.2	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.035	35%	0.345	C	S	.	.	H	α-helix	trans	-59	-44.4	174.5	174.8	-100.1	0	0	0	111.7	L534 F546 W547 I552 F553 Y554 F628 F631 I635	L534-F550 HydrophobicContact CD1-CD2 4.31Å; L534-F550 HydrophobicContact CD2-CD2 3.87Å; L534-F550 HydrophobicContact CD2-CE2 3.9Å; L534-F550 HydrophobicContact CG-CD2 4.34Å; F546-F550 HydrophobicContact CE1-CB 4.48Å; F546-F550 HydrophobicContact CZ-CB 4.42Å; F546-F550 VanDerWaalsContact O-CB 3.24Å; F546-F550 WeakPolarHBondContact O-CB 3.31Å; F546-F550 PolarHBondContact O-N 3.05Å; W547-F550 HydrophobicContact CE3-CD1 4.35Å; W547-F550 HydrophobicContact CZ3-CD1 4.27Å; F550-I552 PolarHBondContact O-N 3.34Å; F550-F553 PolarHBondContact O-N 2.86Å; F550-Y554 AromaticContact CE1-CD1 3.96Å; F550-Y554 HydrophobicContact CE1-CD1 3.96Å; F550-Y554 HydrophobicContact CE1-CG 4.35Å; F550-Y554 HydrophobicContact CZ-CD1 4.1Å; F550-Y554 HydrophobicContact CZ-CG 4.17Å; F550-Y554 VanDerWaalsContact O-CB 3.24Å; F550-Y554 WeakPolarHBondContact O-CB 3.38Å; F550-Y554 PolarHBondContact O-N 3.06Å; F550-F628 HydrophobicContact CD1-CE2 4.02Å; F550-F628 AromaticContact CD2-CE2 3.79Å; F550-F628 HydrophobicContact CD2-CE2 3.79Å; F550-F628 AromaticContact CD2-CZ 3.55Å; F550-F628 HydrophobicContact CD2-CZ 3.55Å; F550-F628 HydrophobicContact CE1-CE2 4.04Å; F550-F628 AromaticContact CE2-CE2 3.79Å; F550-F628 HydrophobicContact CE2-CE2 3.79Å; F550-F628 AromaticContact CE2-CZ 3.47Å; F550-F628 HydrophobicContact CE2-CZ 3.47Å; F550-F628 VanDerWaalsContact CE2-CZ 3.47Å; F550-F628 AromaticContact CG-CE2 3.9Å; F550-F628 HydrophobicContact CG-CE2 3.9Å; F550-F628 HydrophobicContact CG-CZ 4.14Å; F550-F628 AromaticContact CZ-CE2 3.91Å; F550-F628 HydrophobicContact CZ-CE2 3.91Å; F550-F628 HydrophobicContact CZ-CZ 4Å; F550-F631 AromaticContact CE1-CE1 3.85Å; F550-F631 HydrophobicContact CE1-CE1 3.85Å; F550-F631 HydrophobicContact CZ-CE1 4.3Å; F550-I635 HydrophobicContact CZ-CD1 4.49Å
551	T	92.5	Very high	89.5	Confident	23 Å²	23	62.6 Å²	62.6	14%	0.141	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-44.3	-179.8	-67.7	0	0	0	0	112.2	W547 I548 T549 Y554 A555 I617 M621	W547-T551 WeakPolarHBondContact O-CB 3.33Å; W547-T551 PolarHBondContact O-N 2.93Å; W547-T551 PolarHBondContact O-OG1 2.92Å; I548-T551 PolarHBondContact O-N 2.86Å; T549-T551 VanDerWaalsContact C-N 3.34Å; T549-T551 PolarHBondContact O-N 3.42Å; T551-Y554 PolarHBondContact O-N 3.29Å; T551-A555 VanDerWaalsContact O-CB 3.29Å; T551-A555 WeakPolarHBondContact O-CB 3.4Å; T551-A555 PolarHBondContact O-N 3.1Å; T551-I617 HydrophobicContact CG2-CG2 3.57Å; T551-M621 HydrophobicContact CG2-CG 4.05Å; T551-M621 HydrophobicContact CG2-SD 4.35Å; T551-M621 VanDerWaalsContact OG1-CG 3.3Å; T551-M621 WeakPolarHBondContact OG1-CG 3.39Å; T551-M621 PolarHBondContact OG1-SD 3.46Å
552	I	93.5	Very high	89.7	Confident	106 Å²	106	56 Å²	56	54%	0.544	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-48	176.3	-65.6	167.1	0	0	0	109.9	I548 T549 F550 Y554 A555 V556	I548-I552 HydrophobicContact CG2-CD1 4.02Å; I548-I552 WeakPolarHBondContact O-CG1 3.46Å; I548-I552 PolarHBondContact O-N 3.46Å; I548-I552 VanDerWaalsContact O-N 3.09Å; T549-I552 PolarHBondContact O-N 2.98Å; F550-I552 PolarHBondContact O-N 3.34Å; I552-Y554 PolarHBondContact O-N 3.35Å; I552-A555 PolarHBondContact O-N 2.8Å; I552-V556 VanDerWaalsContact O-CG2 3.29Å; I552-V556 WeakPolarHBondContact O-CG2 3.28Å; I552-V556 PolarHBondContact O-N 2.98Å
553	F	92.7	Very high	89.9	Confident	88 Å²	88	53.8 Å²	53.8	39%	0.386	30%	0.3	S	S	.	.	H	α-helix	trans	-58.8	-47.1	178.2	172.8	-101	0	0	0	111.9	L530 L534 T549 F550 V556 L557	L530-F553 HydrophobicContact CD2-CZ 4.33Å; L534-F553 HydrophobicContact CD2-CD1 4.26Å; L534-F553 HydrophobicContact CD2-CE1 4.07Å; T549-F553 WeakPolarHBondContact O-CB 3.28Å; T549-F553 PolarHBondContact O-N 2.86Å; F550-F553 PolarHBondContact O-N 2.86Å; F553-V556 PolarHBondContact O-N 3.27Å; F553-L557 HydrophobicContact CE1-CD2 4.16Å; F553-L557 HydrophobicContact CZ-CD2 4.38Å; F553-L557 WeakPolarHBondContact O-CB 3.43Å; F553-L557 PolarHBondContact O-N 3.46Å
554	Y	93.4	Very high	89.8	Confident	14 Å²	14	56.8 Å²	56.8	6%	0.055	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-42.5	-178.5	-176.8	-149.9	0	0	0	111.9	F550 T551 I552 V556 L557 I558 N613 F616 I617 I635	F550-Y554 AromaticContact CE1-CD1 3.96Å; F550-Y554 HydrophobicContact CE1-CD1 3.96Å; F550-Y554 HydrophobicContact CE1-CG 4.35Å; F550-Y554 HydrophobicContact CZ-CD1 4.1Å; F550-Y554 HydrophobicContact CZ-CG 4.17Å; F550-Y554 VanDerWaalsContact O-CB 3.24Å; F550-Y554 WeakPolarHBondContact O-CB 3.38Å; F550-Y554 PolarHBondContact O-N 3.06Å; T551-Y554 PolarHBondContact O-N 3.29Å; I552-Y554 PolarHBondContact O-N 3.35Å; Y554-V556 VanDerWaalsContact C-N 3.35Å; Y554-V556 PolarHBondContact O-N 3.33Å; Y554-L557 PolarHBondContact O-N 3.38Å; Y554-I558 HydrophobicContact CD1-CD1 4.15Å; Y554-I558 HydrophobicContact CD2-CD1 3.58Å; Y554-I558 HydrophobicContact CD2-CG1 3.7Å; Y554-I558 HydrophobicContact CE1-CD1 3.99Å; Y554-I558 HydrophobicContact CE2-CD1 3.4Å; Y554-I558 HydrophobicContact CE2-CG1 3.46Å; Y554-I558 VanDerWaalsContact CE2-CG1 3.46Å; Y554-I558 HydrophobicContact CG-CD1 3.94Å; Y554-I558 WeakPolarHBondContact O-CD1 3.36Å; Y554-I558 VanDerWaalsContact O-CG1 3.26Å; Y554-I558 WeakPolarHBondContact O-CG1 3.4Å; Y554-I558 PolarHBondContact O-N 2.98Å; Y554-N613 PolarHBondContact OH-OD1 3.33Å; Y554-F616 HydrophobicContact CE1-CB 4.3Å; Y554-I617 HydrophobicContact CD1-CD1 4.02Å; Y554-I617 HydrophobicContact CD1-CG1 3.38Å; Y554-I617 HydrophobicContact CE1-CD1 4.34Å; Y554-I617 HydrophobicContact CE1-CG1 3.63Å; Y554-I617 HydrophobicContact CG-CG1 4.3Å; Y554-I635 HydrophobicContact CE1-CD1 3.76Å; Y554-I635 HydrophobicContact CE2-CG2 4.07Å; Y554-I635 VanDerWaalsContact OH-CG2 3.24Å; Y554-I635 WeakPolarHBondContact OH-CG2 3.45Å
555	A	92.6	Very high	89.3	Confident	25 Å²	25	56.1 Å²	56.1	21%	0.207	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-42.7	175.3	0	0	0	0	0	112.1	T551 I552 F559 W614 I617	T551-A555 VanDerWaalsContact O-CB 3.29Å; T551-A555 WeakPolarHBondContact O-CB 3.4Å; T551-A555 PolarHBondContact O-N 3.1Å; I552-A555 PolarHBondContact O-N 2.8Å; A555-F559 WeakPolarHBondContact O-CB 3.47Å; A555-F559 PolarHBondContact O-N 3.37Å; A555-F559 VanDerWaalsContact O-N 3.1Å; A555-W614 HydrophobicContact CB-CH2 4.43Å; A555-I617 HydrophobicContact CB-CD1 4.04Å
556	V	91.8	Very high	88.8	Confident	77 Å²	77	52.5 Å²	52.5	47%	0.467	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-47.8	173.6	172.3	0	0	0	0	110.2	I552 F553 Y554 I558 F559 L560	I552-V556 VanDerWaalsContact O-CG2 3.29Å; I552-V556 WeakPolarHBondContact O-CG2 3.28Å; I552-V556 PolarHBondContact O-N 2.98Å; F553-V556 PolarHBondContact O-N 3.27Å; Y554-V556 VanDerWaalsContact C-N 3.35Å; Y554-V556 PolarHBondContact O-N 3.33Å; V556-I558 PolarHBondContact O-N 3.09Å; V556-F559 WeakPolarHBondContact O-CB 3.02Å; V556-F559 PolarHBondContact O-N 3.34Å; V556-L560 HydrophobicContact CG1-CD1 3.86Å; V556-L560 HydrophobicContact CG1-CG 4.09Å; V556-L560 VanDerWaalsContact O-CG 3.28Å; V556-L560 WeakPolarHBondContact O-CG 3.31Å; V556-L560 PolarHBondContact O-N 3.27Å
557	L	90.2	Very high	88	Confident	66 Å²	66	57 Å²	57	35%	0.346	29%	0.288	S	S	.	.	H	α-helix	trans	-59.4	-47.3	-179.5	-177.7	64	0	0	0	112.1	F553 Y554 F559 L560 L561	F553-L557 HydrophobicContact CE1-CD2 4.16Å; F553-L557 HydrophobicContact CZ-CD2 4.38Å; F553-L557 WeakPolarHBondContact O-CB 3.43Å; F553-L557 PolarHBondContact O-N 3.46Å; Y554-L557 PolarHBondContact O-N 3.38Å; L557-F559 VanDerWaalsContact C-N 3.3Å; L557-F559 PolarHBondContact O-N 3.16Å; L557-L560 PolarHBondContact O-N 3.3Å; L557-L561 HydrophobicContact CD1-CD1 4Å; L557-L561 HydrophobicContact CD1-CG 4.1Å; L557-L561 HydrophobicContact CG-CD1 3.87Å; L557-L561 HydrophobicContact CG-CG 4.36Å; L557-L561 WeakPolarHBondContact O-CB 3.4Å; L557-L561 VanDerWaalsContact O-CG 3.28Å; L557-L561 WeakPolarHBondContact O-CG 3.48Å; L557-L561 PolarHBondContact O-N 3Å
558	I	90.5	Very high	86.9	Confident	13 Å²	13	57.5 Å²	57.5	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-42.9	176.8	-65.3	153.4	0	0	0	110.6	Y554 V556 S562 N610 N613 I617	Y554-I558 HydrophobicContact CD1-CD1 4.15Å; Y554-I558 HydrophobicContact CD2-CD1 3.58Å; Y554-I558 HydrophobicContact CD2-CG1 3.7Å; Y554-I558 HydrophobicContact CE1-CD1 3.99Å; Y554-I558 HydrophobicContact CE2-CD1 3.4Å; Y554-I558 HydrophobicContact CE2-CG1 3.46Å; Y554-I558 VanDerWaalsContact CE2-CG1 3.46Å; Y554-I558 HydrophobicContact CG-CD1 3.94Å; Y554-I558 WeakPolarHBondContact O-CD1 3.36Å; Y554-I558 VanDerWaalsContact O-CG1 3.26Å; Y554-I558 WeakPolarHBondContact O-CG1 3.4Å; Y554-I558 PolarHBondContact O-N 2.98Å; V556-I558 PolarHBondContact O-N 3.09Å; I558-S562 WeakPolarHBondContact O-CB 3.29Å; I558-S562 PolarHBondContact O-N 3.02Å; I558-S562 PolarHBondContact O-OG 3.22Å; I558-N610 VanDerWaalsContact CG2-OD1 3.27Å; I558-N610 WeakPolarHBondContact CG2-OD1 3.1Å; I558-N613 HydrophobicContact CD1-CB 3.62Å; I558-N613 HydrophobicContact CG1-CB 4.04Å; I558-N613 HydrophobicContact CG2-CB 4.32Å; I558-I617 HydrophobicContact CD1-CD1 3.64Å; I558-I617 HydrophobicContact CD1-CG1 4.43Å
559	F	88.2	Confident	85.5	Confident	126 Å²	126	56 Å²	56	55%	0.553	29%	0.293	S	S	*	.	H	α-helix	trans	-63.4	-48.1	178.8	176.5	-101	0	0	0	111.7	A555 V556 L557 S562 A563 W571	A555-F559 WeakPolarHBondContact O-CB 3.47Å; A555-F559 PolarHBondContact O-N 3.37Å; A555-F559 VanDerWaalsContact O-N 3.1Å; V556-F559 WeakPolarHBondContact O-CB 3.02Å; V556-F559 PolarHBondContact O-N 3.34Å; L557-F559 VanDerWaalsContact C-N 3.3Å; L557-F559 PolarHBondContact O-N 3.16Å; F559-S562 PolarHBondContact O-N 3.14Å; F559-A563 WeakPolarHBondContact O-CB 3.43Å; F559-A563 PolarHBondContact O-N 3.2Å; F559-W571 HydrophobicContact CD1-CH2 4.34Å; F559-W571 AromaticContact CE1-CH2 3.65Å; F559-W571 HydrophobicContact CE1-CH2 3.65Å; F559-W571 HydrophobicContact CE1-CZ2 4.17Å; F559-W571 HydrophobicContact CZ-CH2 4.41Å
560	L	86.7	Confident	84	Confident	66 Å²	66	55 Å²	55	35%	0.346	28%	0.283	S	S	.	.	H	α-helix	trans	-61.1	-49	178.1	-64.2	179.2	0	0	0	110.9	V556 L557 S562 A563 E564 W571	V556-L560 HydrophobicContact CG1-CD1 3.86Å; V556-L560 HydrophobicContact CG1-CG 4.09Å; V556-L560 VanDerWaalsContact O-CG 3.28Å; V556-L560 WeakPolarHBondContact O-CG 3.31Å; V556-L560 PolarHBondContact O-N 3.27Å; L557-L560 PolarHBondContact O-N 3.3Å; L560-S562 PolarHBondContact O-N 3.33Å; L560-A563 PolarHBondContact O-N 3.07Å; L560-E564 WeakPolarHBondContact O-CG 3.41Å; L560-E564 PolarHBondContact O-N 3.35Å; L560-W571 HydrophobicContact CD2-CH2 3.91Å; L560-W571 HydrophobicContact CD2-CZ3 3.49Å; L560-W571 VanDerWaalsContact CD2-CZ3 3.49Å
561	L	85.2	Confident	82.6	Confident	73 Å²	73	57.8 Å²	57.8	38%	0.382	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-44.9	178.2	-71.6	174.9	0	0	0	111.3	L557 A563 E564 F565	L557-L561 HydrophobicContact CD1-CD1 4Å; L557-L561 HydrophobicContact CD1-CG 4.1Å; L557-L561 HydrophobicContact CG-CD1 3.87Å; L557-L561 HydrophobicContact CG-CG 4.36Å; L557-L561 WeakPolarHBondContact O-CB 3.4Å; L557-L561 VanDerWaalsContact O-CG 3.28Å; L557-L561 WeakPolarHBondContact O-CG 3.48Å; L557-L561 PolarHBondContact O-N 3Å; L561-A563 VanDerWaalsContact C-N 3.3Å; L561-A563 PolarHBondContact O-N 3.27Å; L561-E564 PolarHBondContact O-N 3.17Å; L561-F565 WeakPolarHBondContact O-CB 3.38Å; L561-F565 VanDerWaalsContact O-CD2 3.23Å; L561-F565 WeakPolarHBondContact O-CD2 3.34Å; L561-F565 PolarHBondContact O-N 3.17Å
562	S	86.5	Confident	81	Confident	22 Å²	22	63.9 Å²	63.9	15%	0.154	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-39.5	178.1	-62.3	0	0	0	0	112	I558 F559 L560 Y566 N610	I558-S562 WeakPolarHBondContact O-CB 3.29Å; I558-S562 PolarHBondContact O-N 3.02Å; I558-S562 PolarHBondContact O-OG 3.22Å; F559-S562 PolarHBondContact O-N 3.14Å; L560-S562 PolarHBondContact O-N 3.33Å; S562-Y566 VanDerWaalsContact O-CB 3.31Å; S562-Y566 WeakPolarHBondContact O-CB 3.3Å; S562-Y566 PolarHBondContact O-N 2.66Å; S562-N610 PolarHBondContact OG-ND2 3.47Å; S562-N610 PolarHBondContact OG-OD1 3.02Å
563	A	81.7	Confident	79.5	Confident	13 Å²	13	64.4 Å²	64.4	11%	0.107	32%	0.32	C	S	.	.	H	α-helix	trans	-65.9	-43.4	175.2	0	0	0	0	0	111.6	F559 L560 L561 Y566 Y567 W571	F559-A563 WeakPolarHBondContact O-CB 3.43Å; F559-A563 PolarHBondContact O-N 3.2Å; L560-A563 PolarHBondContact O-N 3.07Å; L561-A563 VanDerWaalsContact C-N 3.3Å; L561-A563 PolarHBondContact O-N 3.27Å; A563-Y566 PolarHBondContact O-N 2.94Å; A563-Y567 VanDerWaalsContact O-CD2 3.32Å; A563-Y567 WeakPolarHBondContact O-CD2 3.15Å; A563-Y567 PolarHBondContact O-N 2.88Å; A563-W571 HydrophobicContact CB-CD2 3.73Å; A563-W571 HydrophobicContact CB-CE3 3.48Å; A563-W571 VanDerWaalsContact CB-CE3 3.48Å; A563-W571 HydrophobicContact CB-CG 4.28Å; A563-W571 HydrophobicContact CB-CH2 4.28Å; A563-W571 HydrophobicContact CB-CZ2 4.49Å; A563-W571 HydrophobicContact CB-CZ3 3.77Å
564	E	80.6	Confident	78.2	Confident	103 Å²	103	65.1 Å²	65.1	48%	0.481	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-47.5	174.9	-74.3	-170.1	174.4	0	0	112	L560 L561 Y566 Y567 K568 G569	L560-E564 WeakPolarHBondContact O-CG 3.41Å; L560-E564 PolarHBondContact O-N 3.35Å; L561-E564 PolarHBondContact O-N 3.17Å; E564-Y566 PolarHBondContact O-N 3.29Å; E564-Y567 PolarHBondContact O-N 3.46Å; E564-K568 PolarHBondContact O-N 3.48Å; E564-K568 VanDerWaalsContact O-N 3.11Å; E564-G569 PolarHBondContact O-N 3.22Å
565	F	79	Confident	76.5	Confident	85 Å²	85	75.9 Å²	75.9	37%	0.373	37%	0.369	S	S	.	.	H	α-helix	trans	-61	-44.4	177.2	-88.6	-74.6	0	0	0	112.2	Y510 L561 L606 Y643	Y510-F565 HydrophobicContact CD2-CE1 4.13Å; Y510-F565 HydrophobicContact CE2-CE1 4.47Å; L561-F565 WeakPolarHBondContact O-CB 3.38Å; L561-F565 VanDerWaalsContact O-CD2 3.23Å; L561-F565 WeakPolarHBondContact O-CD2 3.34Å; L561-F565 PolarHBondContact O-N 3.17Å; F565-L606 HydrophobicContact CB-CD1 4.42Å; F565-L606 HydrophobicContact CB-CD2 3.92Å; F565-Y643 HydrophobicContact CE1-CE1 4.36Å; F565-Y643 HydrophobicContact CE1-CE2 4.22Å; F565-Y643 AromaticContact CE1-CZ 3.94Å; F565-Y643 HydrophobicContact CZ-CE1 4.45Å
566	Y	79.9	Confident	75	Confident	17 Å²	17	76.7 Å²	76.7	7%	0.067	38%	0.379	C	S	.	.	H	α-helix	trans	-64.1	-43.8	-179.6	-173.6	-108.7	0	0	0	112.2	S562 A563 E564 P597 T598 Y599 M603 L606	S562-Y566 VanDerWaalsContact O-CB 3.31Å; S562-Y566 WeakPolarHBondContact O-CB 3.3Å; S562-Y566 PolarHBondContact O-N 2.66Å; A563-Y566 PolarHBondContact O-N 2.94Å; E564-Y566 PolarHBondContact O-N 3.29Å; Y566-P597 HydrophobicContact CE2-CB 4.48Å; Y566-P597 WeakPolarHBondContact OH-CA 3.45Å; Y566-P597 WeakPolarHBondContact OH-CB 3.07Å; Y566-T598 PolarHBondContact OH-N 2.94Å; Y566-Y599 HydrophobicContact CE2-CD2 4.33Å; Y566-Y599 PolarHBondContact OH-N 2.78Å; Y566-M603 HydrophobicContact CD2-CE 4.08Å; Y566-M603 HydrophobicContact CE1-CE 4.29Å; Y566-M603 HydrophobicContact CE2-CB 3.99Å; Y566-M603 HydrophobicContact CE2-CE 3.56Å; Y566-M603 HydrophobicContact CE2-SD 4.38Å; Y566-L606 HydrophobicContact CD2-CD1 3.98Å; Y566-L606 HydrophobicContact CG-CD1 4.27Å
567	Y	73.5	Confident	73.7	Confident	109 Å²	109	74.5 Å²	74.5	43%	0.427	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	20.5	-176.2	-67.1	-69.4	0	0	0	114.4	A563 E564 G569 Q570 W571	A563-Y567 VanDerWaalsContact O-CD2 3.32Å; A563-Y567 WeakPolarHBondContact O-CD2 3.15Å; A563-Y567 PolarHBondContact O-N 2.88Å; E564-Y567 PolarHBondContact O-N 3.46Å; Y567-G569 PolarHBondContact O-N 2.99Å; Y567-Q570 VanDerWaalsContact O-CB 3.27Å; Y567-Q570 WeakPolarHBondContact O-CB 2.99Å; Y567-Q570 WeakPolarHBondContact O-CG 3.5Å; Y567-Q570 PolarHBondContact O-N 2.84Å; Y567-W571 HydrophobicContact CD2-CB 4.21Å; Y567-W571 HydrophobicContact CD2-CG 4.31Å
568	K	69	Low	72.3	Confident	13 Å²	13	74.3 Å²	74.3	6%	0.057	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	35.9	178.7	-60.1	175.7	177.4	177.8	0	113.2	K358 V359 L361 E564 Q570 R602	K358-K568 PolarHBondContact O-NZ 3.08Å; V359-K568 PolarHBondContact O-NZ 2.96Å; V359-K568 VanDerWaalsContact O-NZ 3.14Å; L361-K568 HydrophobicContact CD1-CD 3.49Å; L361-K568 VanDerWaalsContact CD1-CD 3.49Å; L361-K568 VanDerWaalsContact CD1-NZ 3.28Å; E564-K568 PolarHBondContact O-N 3.48Å; E564-K568 VanDerWaalsContact O-N 3.11Å; K568-Q570 PolarHBondContact O-N 3.37Å; K568-R602 VanDerWaalsContact CE-CZ 3.44Å
569	G	63.3	Low	71.1	Confident	42 Å²	42	77.5 Å²	77.5	43%	0.433	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	12.7	-176.8	0	0	0	0	0	114.9	E564 Y567	E564-G569 PolarHBondContact O-N 3.22Å; Y567-G569 PolarHBondContact O-N 2.99Å
570	Q	60.7	Low	69.9	Low	67 Å²	67	79.9 Å²	79.9	31%	0.313	40%	0.401	S	S	.	.			trans	-90.5	3.4	-179.2	-60.3	-163	-44	0	0	114.1	R356 Y567 K568 K572	R356-Q570 HydrophobicContact CB-CG 4.48Å; Y567-Q570 VanDerWaalsContact O-CB 3.27Å; Y567-Q570 WeakPolarHBondContact O-CB 2.99Å; Y567-Q570 WeakPolarHBondContact O-CG 3.5Å; Y567-Q570 PolarHBondContact O-N 2.84Å; K568-Q570 PolarHBondContact O-N 3.37Å; Q570-K572 PolarHBondContact O-N 3.17Å; Q570-K572 VanDerWaalsContact O-N 3.12Å
571	W	62.2	Low	69	Low	65 Å²	65	81.4 Å²	81.4	25%	0.246	41%	0.408	C	S	.	.			trans	-73.2	111.5	-175.4	-172.7	55.6	0	0	0	110.9	F559 L560 A563 Y567 I573	F559-W571 HydrophobicContact CD1-CH2 4.34Å; F559-W571 AromaticContact CE1-CH2 3.65Å; F559-W571 HydrophobicContact CE1-CH2 3.65Å; F559-W571 HydrophobicContact CE1-CZ2 4.17Å; F559-W571 HydrophobicContact CZ-CH2 4.41Å; L560-W571 HydrophobicContact CD2-CH2 3.91Å; L560-W571 HydrophobicContact CD2-CZ3 3.49Å; L560-W571 VanDerWaalsContact CD2-CZ3 3.49Å; A563-W571 HydrophobicContact CB-CD2 3.73Å; A563-W571 HydrophobicContact CB-CE3 3.48Å; A563-W571 VanDerWaalsContact CB-CE3 3.48Å; A563-W571 HydrophobicContact CB-CG 4.28Å; A563-W571 HydrophobicContact CB-CH2 4.28Å; A563-W571 HydrophobicContact CB-CZ2 4.49Å; A563-W571 HydrophobicContact CB-CZ3 3.77Å; Y567-W571 HydrophobicContact CD2-CB 4.21Å; Y567-W571 HydrophobicContact CD2-CG 4.31Å; W571-I573 HydrophobicContact CD2-CG1 4.45Å; W571-I573 HydrophobicContact CH2-CD1 3.57Å; W571-I573 HydrophobicContact CH2-CG1 3.81Å; W571-I573 HydrophobicContact CZ2-CD1 3.79Å; W571-I573 HydrophobicContact CZ2-CG1 3.54Å; W571-I573 HydrophobicContact CZ3-CD1 4.19Å; W571-I573 HydrophobicContact CZ3-CG1 4.37Å
572	K	60	Low	67.8	Low	151 Å²	151	79.9 Å²	79.9	66%	0.657	41%	0.406	S	S	*	.			trans	-115.5	123	169.3	-70.1	-171.5	177.8	-176	0	109.5	Q570 N574	Q570-K572 PolarHBondContact O-N 3.17Å; Q570-K572 VanDerWaalsContact O-N 3.12Å; K572-N574 PolarHBondContact O-N 3.09Å
573	I	62.2	Low	66.7	Low	118 Å²	118	86.8 Å²	86.8	61%	0.605	43%	0.429	S	S	*	.			trans	-74.9	90.6	171.9	-59.5	174.2	0	0	0	108.1	W571	W571-I573 HydrophobicContact CD2-CG1 4.45Å; W571-I573 HydrophobicContact CH2-CD1 3.57Å; W571-I573 HydrophobicContact CH2-CG1 3.81Å; W571-I573 HydrophobicContact CZ2-CD1 3.79Å; W571-I573 HydrophobicContact CZ2-CG1 3.54Å; W571-I573 HydrophobicContact CZ3-CD1 4.19Å; W571-I573 HydrophobicContact CZ3-CG1 4.37Å
574	N	64.2	Low	65.7	Low	103 Å²	103	91.2 Å²	91.2	55%	0.551	45%	0.447	S	S	*	.			trans	-81.5	147.1	165.1	-68.3	-22.9	0	0	0	108.6	K572 G576 S577	K572-N574 PolarHBondContact O-N 3.09Å; N574-G576 PolarHBondContact O-N 3.29Å; N574-S577 PolarHBondContact N-OG 3.08Å; N574-S577 WeakPolarHBondContact O-CA 3.4Å; N574-S577 VanDerWaalsContact O-CB 3.25Å; N574-S577 WeakPolarHBondContact O-CB 3Å; N574-S577 PolarHBondContact O-N 2.78Å; N574-S577 PolarHBondContact O-OG 3.42Å
575	R	58.8	Low	64.7	Low	239 Å²	239	91.3 Å²	91.3	90%	0.902	45%	0.451	S	S	*	.	H	α-helix	trans	-51.4	-32.1	174.2	-96.2	-177.6	173.2	158.6	-1.9	112.7	S577	R575-S577 VanDerWaalsContact C-N 3.34Å
576	G	61.6	Low	63.9	Low	42 Å²	42	95.8 Å²	95.8	43%	0.433	47%	0.47	S	S	.	.	H	α-helix	trans	-70.6	-23	174.1	0	0	0	0	0	114.7	N574 V579 R580	N574-G576 PolarHBondContact O-N 3.29Å; G576-V579 PolarHBondContact O-N 3.03Å; G576-R580 VanDerWaalsContact O-CB 3.32Å; G576-R580 WeakPolarHBondContact O-CB 3.45Å; G576-R580 PolarHBondContact O-N 3.29Å
577	S	64.2	Low	62.6	Low	31 Å²	31	99 Å²	99	22%	0.217	49%	0.494	C	S	.	.	H	α-helix	trans	-71	-40.2	179.5	-54.6	0	0	0	0	111.7	N574 R575 R580 I581	N574-S577 PolarHBondContact N-OG 3.08Å; N574-S577 WeakPolarHBondContact O-CA 3.4Å; N574-S577 VanDerWaalsContact O-CB 3.25Å; N574-S577 WeakPolarHBondContact O-CB 3Å; N574-S577 PolarHBondContact O-N 2.78Å; N574-S577 PolarHBondContact O-OG 3.42Å; R575-S577 VanDerWaalsContact C-N 3.34Å; S577-R580 PolarHBondContact O-N 3.31Å; S577-I581 WeakPolarHBondContact O-CB 3.03Å; S577-I581 VanDerWaalsContact O-CG1 3.28Å; S577-I581 WeakPolarHBondContact O-CG1 3.47Å; S577-I581 PolarHBondContact O-N 3.12Å
578	A	60.5	Low	61.5	Low	62 Å²	62	100.3 Å²	100.3	51%	0.512	51%	0.513	S	S	.	.	H	α-helix	trans	-64.8	-41.2	173.8	0	0	0	0	0	111.4	R580 I581 A582	A578-R580 VanDerWaalsContact C-N 3.33Å; A578-R580 PolarHBondContact O-N 3.43Å; A578-I581 PolarHBondContact O-N 3.05Å; A578-A582 VanDerWaalsContact O-CB 3.23Å; A578-A582 WeakPolarHBondContact O-CB 3.37Å; A578-A582 PolarHBondContact O-N 2.95Å
579	V	64.2	Low	60.5	Low	80 Å²	80	110.7 Å²	110.7	49%	0.485	55%	0.552	S	S	.	*	H	α-helix	trans	-64.9	-37	173.5	178.3	0	0	0	0	111.3	G576 R583	G576-V579 PolarHBondContact O-N 3.03Å; V579-R583 WeakPolarHBondContact O-CB 3.47Å; V579-R583 PolarHBondContact O-N 2.81Å
580	R	64.6	Low	59.7	Low	176 Å²	176	118.1 Å²	118.1	66%	0.664	57%	0.572	S	S	*	*	H	α-helix	trans	-67.7	-46.9	176.9	-149.4	-177.7	-65	-173	-1.1	110.6	G576 S577 A578 A582 R583 E584	G576-R580 VanDerWaalsContact O-CB 3.32Å; G576-R580 WeakPolarHBondContact O-CB 3.45Å; G576-R580 PolarHBondContact O-N 3.29Å; S577-R580 PolarHBondContact O-N 3.31Å; A578-R580 VanDerWaalsContact C-N 3.33Å; A578-R580 PolarHBondContact O-N 3.43Å; R580-A582 PolarHBondContact O-N 3.23Å; R580-R583 PolarHBondContact O-N 3.16Å; R580-E584 WeakPolarHBondContact O-CB 3.46Å; R580-E584 WeakPolarHBondContact O-CG 3.5Å; R580-E584 PolarHBondContact O-N 3.13Å
581	I	66	Low	59.2	Low	98 Å²	98	120.2 Å²	120.2	50%	0.503	59%	0.594	S	S	.	*	H	α-helix	trans	-61.1	-44.8	175.3	-69.2	165.2	0	0	0	110.8	S577 A578 E584 L585	S577-I581 WeakPolarHBondContact O-CB 3.03Å; S577-I581 VanDerWaalsContact O-CG1 3.28Å; S577-I581 WeakPolarHBondContact O-CG1 3.47Å; S577-I581 PolarHBondContact O-N 3.12Å; A578-I581 PolarHBondContact O-N 3.05Å; I581-E584 PolarHBondContact O-N 2.79Å; I581-L585 HydrophobicContact CG2-CD1 3.67Å; I581-L585 WeakPolarHBondContact O-CB 3.28Å; I581-L585 WeakPolarHBondContact O-CG 3.33Å; I581-L585 PolarHBondContact O-N 2.9Å
582	A	61.5	Low	58.3	Low	42 Å²	42	122.5 Å²	122.5	35%	0.347	62%	0.619	S	S	.	*	H	α-helix	trans	-64.8	-43.4	176.1	0	0	0	0	0	111.8	A578 R580 E584 L585 F586	A578-A582 VanDerWaalsContact O-CB 3.23Å; A578-A582 WeakPolarHBondContact O-CB 3.37Å; A578-A582 PolarHBondContact O-N 2.95Å; R580-A582 PolarHBondContact O-N 3.23Å; A582-E584 VanDerWaalsContact C-N 3.33Å; A582-E584 PolarHBondContact O-N 2.92Å; A582-L585 PolarHBondContact O-N 3.43Å; A582-F586 WeakPolarHBondContact O-CB 3.5Å; A582-F586 VanDerWaalsContact O-CD2 3.29Å; A582-F586 WeakPolarHBondContact O-CD2 3.43Å; A582-F586 PolarHBondContact O-N 3.23Å
583	R	62.6	Low	57.8	Low	166 Å²	166	125.4 Å²	125.4	63%	0.626	63%	0.626	S	S	*	*	H	α-helix	trans	-63.8	-40	177.5	-172.9	-176.6	-66.4	172.8	-2.1	111.5	V579 R580 C587	V579-R583 WeakPolarHBondContact O-CB 3.47Å; V579-R583 PolarHBondContact O-N 2.81Å; R580-R583 PolarHBondContact O-N 3.16Å; R583-C587 WeakPolarHBondContact O-CB 3.47Å; R583-C587 PolarHBondContact O-N 2.75Å
584	E	61.6	Low	57.1	Low	106 Å²	106	127.1 Å²	127.1	50%	0.495	63%	0.625	S	S	.	*	H	α-helix	trans	-66.5	-48.3	174.2	-67.2	-65	157.4	0	0	110.1	R580 I581 A582 F586 C587 W594	R580-E584 WeakPolarHBondContact O-CB 3.46Å; R580-E584 WeakPolarHBondContact O-CG 3.5Å; R580-E584 PolarHBondContact O-N 3.13Å; I581-E584 PolarHBondContact O-N 2.79Å; A582-E584 VanDerWaalsContact C-N 3.33Å; A582-E584 PolarHBondContact O-N 2.92Å; E584-F586 PolarHBondContact O-N 2.92Å; E584-C587 PolarHBondContact O-N 2.86Å; E584-W594 HydrophobicContact CB-CH2 3.96Å; E584-W594 HydrophobicContact CB-CZ2 3.69Å; E584-W594 WeakPolarHBondContact O-CZ2 3.44Å
585	L	59.2	Low	56.6	Low	106 Å²	106	131.2 Å²	131.2	56%	0.555	64%	0.638	S	S	*	*	H	α-helix	trans	-60.6	-38	178.3	-86.4	158.6	0	0	0	113.5	I581 A582 W594	I581-L585 HydrophobicContact CG2-CD1 3.67Å; I581-L585 WeakPolarHBondContact O-CB 3.28Å; I581-L585 WeakPolarHBondContact O-CG 3.33Å; I581-L585 PolarHBondContact O-N 2.9Å; A582-L585 PolarHBondContact O-N 3.43Å; L585-W594 HydrophobicContact CB-CH2 4.43Å; L585-W594 HydrophobicContact CD2-CH2 4.14Å; L585-W594 HydrophobicContact CD2-CZ3 4.17Å; L585-W594 HydrophobicContact CG-CH2 3.93Å; L585-W594 HydrophobicContact CG-CZ3 4.35Å
586	F	61.9	Low	56.5	Low	179 Å²	179	124.3 Å²	124.3	79%	0.785	63%	0.626	S	S	*	*	H	α-helix	trans	-91.3	-17.5	-177	-80	-81.7	0	0	0	114.1	A582 E584 V588	A582-F586 WeakPolarHBondContact O-CB 3.5Å; A582-F586 VanDerWaalsContact O-CD2 3.29Å; A582-F586 WeakPolarHBondContact O-CD2 3.43Å; A582-F586 PolarHBondContact O-N 3.23Å; E584-F586 PolarHBondContact O-N 2.92Å; F586-V588 PolarHBondContact O-N 3.13Å; F586-V588 VanDerWaalsContact O-N 3.14Å
587	C	53.8	Low	56.8	Low	84 Å²	84	124.4 Å²	124.4	57%	0.568	62%	0.618	S	S	*	*			trans	-86.4	79.8	172.4	-83.1	0	0	0	0	111.2	R583 E584 R589	R583-C587 WeakPolarHBondContact O-CB 3.47Å; R583-C587 PolarHBondContact O-N 2.75Å; E584-C587 PolarHBondContact O-N 2.86Å; C587-R589 PolarHBondContact O-N 3.32Å
588	V	49	Very low	57	Low	136 Å²	136	127.4 Å²	127.4	82%	0.824	64%	0.636	S	S	*	*			trans	-69	67.2	167.6	-173.8	0	0	0	0	110.1	F586	F586-V588 PolarHBondContact O-N 3.13Å; F586-V588 VanDerWaalsContact O-N 3.14Å
589	R	48.6	Very low	57.7	Low	232 Å²	232	126.5 Å²	126.5	88%	0.875	62%	0.619	S	S	*	*			trans	-164.7	67.5	170.3	-136.7	172.5	176	113.3	-4.1	114.3	C587	C587-R589 PolarHBondContact O-N 3.32Å
590	K	47.4	Very low	58.4	Low	197 Å²	197	126.2 Å²	126.2	86%	0.857	62%	0.619	S	S	*	*	S	Bend	trans	179.4	122.6	142	-100.8	164.2	-172.2	-172.6	0	110.9
591	S	48.5	Very low	59	Low	111 Å²	111	119.3 Å²	119.3	78%	0.776	60%	0.595	S	S	*	*			trans	30.4	132	155.4	-147.5	0	0	0	0	118.5	R593	S591-R593 PolarHBondContact O-N 3.5Å
592	C	45	Very low	59.7	Low	113 Å²	113	115.5 Å²	115.5	76%	0.764	58%	0.575	S	S	*	*	S	Bend	trans	-50.8	39.5	-175.6	-57.5	0	0	0	0	118.9	W594	C592-W594 PolarHBondContact O-N 2.91Å
593	R	49.5	Very low	60.8	Low	213 Å²	213	117 Å²	117	80%	0.804	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-75.1	-11.1	169.5	-91.9	-173.3	175.9	-161.8	-1.4	113.3	S591 F595 C596	S591-R593 PolarHBondContact O-N 3.5Å; R593-F595 PolarHBondContact O-N 3.31Å; R593-F595 VanDerWaalsContact O-N 3.15Å; R593-C596 PolarHBondContact O-N 2.92Å; R593-C596 VanDerWaalsContact O-N 3.12Å
594	W	46.3	Very low	61.8	Low	154 Å²	154	112.7 Å²	112.7	58%	0.583	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-55.7	-28	175.9	-86.7	72.4	0	0	0	113.7	E584 L585 C592	E584-W594 HydrophobicContact CB-CH2 3.96Å; E584-W594 HydrophobicContact CB-CZ2 3.69Å; E584-W594 WeakPolarHBondContact O-CZ2 3.44Å; L585-W594 HydrophobicContact CB-CH2 4.43Å; L585-W594 HydrophobicContact CD2-CH2 4.14Å; L585-W594 HydrophobicContact CD2-CZ3 4.17Å; L585-W594 HydrophobicContact CG-CH2 3.93Å; L585-W594 HydrophobicContact CG-CZ3 4.35Å; C592-W594 PolarHBondContact O-N 2.91Å
595	F	53.2	Low	62.9	Low	188 Å²	188	110.9 Å²	110.9	83%	0.825	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-94	5.6	-178.2	-86.3	-83.1	0	0	0	114.5	R593 P597	R593-F595 PolarHBondContact O-N 3.31Å; R593-F595 VanDerWaalsContact O-N 3.15Å; F595-P597 WeakPolarHBondContact O-CD 3.44Å
596	C	58.2	Low	64.2	Low	95 Å²	95	107.4 Å²	107.4	64%	0.642	54%	0.542	S	S	*	.			trans	-97.6	91.8	177.2	-66.6	0	0	0	0	110.2	R593 T598	R593-C596 PolarHBondContact O-N 2.92Å; R593-C596 VanDerWaalsContact O-N 3.12Å; C596-T598 PolarHBondContact O-N 3.4Å
597	P	67.5	Low	65.5	Low	43 Å²	43	104 Å²	104	28%	0.279	53%	0.532	S	S	.	.			trans	-60.3	135.6	173.8	26.5	-36	0	0	0	110.5	Y566 F595 Y599 P600 M603	Y566-P597 HydrophobicContact CE2-CB 4.48Å; Y566-P597 WeakPolarHBondContact OH-CA 3.45Å; Y566-P597 WeakPolarHBondContact OH-CB 3.07Å; F595-P597 WeakPolarHBondContact O-CD 3.44Å; P597-Y599 PolarHBondContact O-N 2.87Å; P597-P600 HydrophobicContact CG-CB 3.98Å; P597-M603 HydrophobicContact CB-CB 3.68Å; P597-M603 HydrophobicContact CB-CE 3.99Å; P597-M603 HydrophobicContact CB-CG 3.84Å; P597-M603 HydrophobicContact CG-CB 4.01Å; P597-M603 HydrophobicContact CG-CG 4.14Å
598	T	68.8	Low	67.2	Low	95 Å²	95	103.5 Å²	103.5	58%	0.583	53%	0.526	S	S	*	.	S	Bend	trans	-52.5	-37.3	171.6	-44.3	0	0	0	0	112.1	Y566 C596	Y566-T598 PolarHBondContact OH-N 2.94Å; C596-T598 PolarHBondContact O-N 3.4Å
599	Y	75.1	Confident	69.1	Low	43 Å²	43	97.6 Å²	97.6	17%	0.169	49%	0.492	C	S	.	.	S	Bend	trans	-124.9	83.8	177.9	-52.9	-67.6	0	0	0	109.3	V359 Y566 P597 D601 R602 M603	V359-Y599 HydrophobicContact CG1-CE1 4.38Å; Y566-Y599 HydrophobicContact CE2-CD2 4.33Å; Y566-Y599 PolarHBondContact OH-N 2.78Å; P597-Y599 PolarHBondContact O-N 2.87Å; Y599-D601 PolarHBondContact O-N 3.1Å; Y599-R602 PolarHBondContact O-N 3.33Å; Y599-M603 WeakPolarHBondContact O-CB 3.41Å; Y599-M603 PolarHBondContact O-N 3.24Å
600	P	77.3	Confident	71.2	Confident	73 Å²	73	88.2 Å²	88.2	47%	0.474	46%	0.46	S	S	.	.	H	α-helix	trans	-59.5	-36.1	-172.6	21.6	-31.6	0	0	0	112.8	P597 M603 C604	P597-P600 HydrophobicContact CG-CB 3.98Å; P600-M603 PolarHBondContact O-N 3.31Å; P600-C604 PolarHBondContact O-N 3.4Å
601	D	77.5	Confident	73.4	Confident	31 Å²	31	83.5 Å²	83.5	17%	0.166	45%	0.447	C	S	.	.	H	α-helix	trans	-66.3	-48.6	-174.5	-53.2	-6.9	0	0	0	110.5	Y599 C604 F605 M650 R653	Y599-D601 PolarHBondContact O-N 3.1Å; D601-C604 PolarHBondContact O-N 3.11Å; D601-F605 WeakPolarHBondContact O-CD2 3.33Å; D601-F605 PolarHBondContact O-N 2.56Å; D601-M650 HydrophobicContact CB-CE 4.14Å; D601-M650 HydrophobicContact CB-SD 4.03Å; D601-R653 IonicContact OD1-CZ 2.89Å; D601-R653 IonicContact OD1-NE 3.95Å; D601-R653 IonicContact OD1-NH1 2.66Å; D601-R653 PolarHBondContact OD1-NH1 3.2Å; D601-R653 IonicContact OD1-NH2 2.66Å; D601-R653 PolarHBondContact OD1-NH2 3.12Å; D601-R653 IonicContact OD2-CZ 2.88Å; D601-R653 IonicContact OD2-NE 3.21Å; D601-R653 PolarHBondContact OD2-NE 2.83Å; D601-R653 IonicContact OD2-NH1 3.2Å; D601-R653 PolarHBondContact OD2-NH1 3.31Å; D601-R653 IonicContact OD2-NH2 2.99Å; D601-R653 PolarHBondContact OD2-NH2 3.06Å
602	R	81.7	Confident	75.5	Confident	19 Å²	19	81.3 Å²	81.3	7%	0.072	43%	0.426	C	S	.	.	H	α-helix	trans	-67.8	-39.5	177.2	-61	179.2	177.7	-168.6	-6.7	111.5	K568 Y599 C604 F605 L606 F646 F746	K568-R602 VanDerWaalsContact CE-CZ 3.44Å; Y599-R602 PolarHBondContact O-N 3.33Å; R602-C604 VanDerWaalsContact C-N 3.3Å; R602-C604 PolarHBondContact O-N 3.33Å; R602-F605 PolarHBondContact O-N 3.03Å; R602-L606 VanDerWaalsContact O-CB 3.3Å; R602-L606 WeakPolarHBondContact O-CB 3.41Å; R602-L606 VanDerWaalsContact O-CG 3.24Å; R602-L606 WeakPolarHBondContact O-CG 3.42Å; R602-L606 PolarHBondContact O-N 3.33Å; R602-F646 HydrophobicContact CG-CE2 4.44Å; R602-F646 HydrophobicContact CG-CZ 4.3Å; R602-F746 PolarHBondContact NE-OXT 3.32Å; R602-F746 PolarHBondContact NH2-OXT 3.31Å
603	M	84.4	Confident	77.9	Confident	72 Å²	72	76.3 Å²	76.3	36%	0.355	39%	0.392	S	S	.	.	H	α-helix	trans	-59.7	-42.1	177	-174.2	61.5	83	0	0	111.5	Y566 P597 Y599 P600 L606 L607	Y566-M603 HydrophobicContact CD2-CE 4.08Å; Y566-M603 HydrophobicContact CE1-CE 4.29Å; Y566-M603 HydrophobicContact CE2-CB 3.99Å; Y566-M603 HydrophobicContact CE2-CE 3.56Å; Y566-M603 HydrophobicContact CE2-SD 4.38Å; P597-M603 HydrophobicContact CB-CB 3.68Å; P597-M603 HydrophobicContact CB-CE 3.99Å; P597-M603 HydrophobicContact CB-CG 3.84Å; P597-M603 HydrophobicContact CG-CB 4.01Å; P597-M603 HydrophobicContact CG-CG 4.14Å; Y599-M603 WeakPolarHBondContact O-CB 3.41Å; Y599-M603 PolarHBondContact O-N 3.24Å; P600-M603 PolarHBondContact O-N 3.31Å; M603-L606 PolarHBondContact O-N 2.63Å; M603-L607 WeakPolarHBondContact O-CB 3.15Å; M603-L607 PolarHBondContact O-N 3.28Å
604	C	83.9	Confident	80	Confident	77 Å²	77	72.5 Å²	72.5	52%	0.52	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-51.7	179.5	-173.9	0	0	0	0	111.7	P600 D601 R602 L606 L607 V608	P600-C604 PolarHBondContact O-N 3.4Å; D601-C604 PolarHBondContact O-N 3.11Å; R602-C604 VanDerWaalsContact C-N 3.3Å; R602-C604 PolarHBondContact O-N 3.33Å; C604-L606 PolarHBondContact O-N 3.42Å; C604-L607 PolarHBondContact O-N 3.03Å; C604-V608 WeakPolarHBondContact O-CG2 3.04Å; C604-V608 PolarHBondContact O-N 3.05Å; C604-V608 VanDerWaalsContact O-N 3.07Å
605	F	84.2	Confident	82.3	Confident	68 Å²	68	67 Å²	67	30%	0.298	37%	0.368	S	S	.	.	H	α-helix	trans	-67	-37.1	178.8	-78.8	-85.4	0	0	0	112.9	D601 R602 L607 V608 G609 F646 S649	D601-F605 WeakPolarHBondContact O-CD2 3.33Å; D601-F605 PolarHBondContact O-N 2.56Å; R602-F605 PolarHBondContact O-N 3.03Å; F605-L607 VanDerWaalsContact C-N 3.32Å; F605-L607 PolarHBondContact O-N 2.87Å; F605-V608 PolarHBondContact O-N 3.37Å; F605-G609 PolarHBondContact O-N 3.07Å; F605-F646 HydrophobicContact CB-CD2 3.71Å; F605-F646 HydrophobicContact CB-CE2 4.34Å; F605-F646 HydrophobicContact CD1-CB 3.96Å; F605-F646 HydrophobicContact CD1-CD2 4.04Å; F605-F646 AromaticContact CD2-CD2 3.52Å; F605-F646 HydrophobicContact CD2-CD2 3.52Å; F605-F646 HydrophobicContact CD2-CE2 4.06Å; F605-F646 HydrophobicContact CE1-CB 4.34Å; F605-F646 HydrophobicContact CE2-CD2 4.11Å; F605-F646 HydrophobicContact CG-CB 4.26Å; F605-F646 AromaticContact CG-CD2 3.49Å; F605-F646 HydrophobicContact CG-CD2 3.49Å; F605-F646 VanDerWaalsContact CG-CD2 3.49Å; F605-F646 HydrophobicContact CG-CE2 4.32Å; F605-F646 HydrophobicContact CG-CG 4.34Å; F605-S649 VanDerWaalsContact CZ-CB 3.43Å
606	L	86.6	Confident	84.3	Confident	32 Å²	32	59.4 Å²	59.4	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-37.3	173.9	-75.4	171.6	0	0	0	111.8	F565 Y566 R602 M603 C604 G609 N610	F565-L606 HydrophobicContact CB-CD1 4.42Å; F565-L606 HydrophobicContact CB-CD2 3.92Å; Y566-L606 HydrophobicContact CD2-CD1 3.98Å; Y566-L606 HydrophobicContact CG-CD1 4.27Å; R602-L606 VanDerWaalsContact O-CB 3.3Å; R602-L606 WeakPolarHBondContact O-CB 3.41Å; R602-L606 VanDerWaalsContact O-CG 3.24Å; R602-L606 WeakPolarHBondContact O-CG 3.42Å; R602-L606 PolarHBondContact O-N 3.33Å; M603-L606 PolarHBondContact O-N 2.63Å; C604-L606 PolarHBondContact O-N 3.42Å; L606-G609 PolarHBondContact O-N 3.35Å; L606-N610 VanDerWaalsContact O-CB 3.28Å; L606-N610 WeakPolarHBondContact O-CB 3.42Å; L606-N610 PolarHBondContact O-N 3.24Å; L606-N610 PolarHBondContact O-ND2 3.25Å
607	L	88.4	Confident	86	Confident	109 Å²	109	55.4 Å²	55.4	57%	0.571	31%	0.307	S	S	*	.	H	α-helix	trans	-64.3	-46.2	175.7	-173.1	147.3	0	0	0	110.7	M603 C604 F605 G609 N610 V611	M603-L607 WeakPolarHBondContact O-CB 3.15Å; M603-L607 PolarHBondContact O-N 3.28Å; C604-L607 PolarHBondContact O-N 3.03Å; F605-L607 VanDerWaalsContact C-N 3.32Å; F605-L607 PolarHBondContact O-N 2.87Å; L607-G609 PolarHBondContact O-N 3.37Å; L607-N610 PolarHBondContact O-N 3.2Å; L607-V611 HydrophobicContact CD2-CG2 4.16Å; L607-V611 VanDerWaalsContact O-CG2 3.28Å; L607-V611 WeakPolarHBondContact O-CG2 3.46Å; L607-V611 PolarHBondContact O-N 2.91Å
608	V	89.4	Confident	87.2	Confident	73 Å²	73	57.8 Å²	57.8	44%	0.442	32%	0.317	S	S	.	.	H	α-helix	trans	-59.3	-47.3	175.1	174.8	0	0	0	0	111	C604 F605 N610 V611 L612 L642	C604-V608 WeakPolarHBondContact O-CG2 3.04Å; C604-V608 PolarHBondContact O-N 3.05Å; C604-V608 VanDerWaalsContact O-N 3.07Å; F605-V608 PolarHBondContact O-N 3.37Å; V608-N610 PolarHBondContact O-N 3.34Å; V608-V611 PolarHBondContact O-N 3.12Å; V608-L612 PolarHBondContact O-N 3.32Å; V608-L642 HydrophobicContact CG1-CD2 4.27Å
609	G	90.2	Very high	88.4	Confident	11 Å²	11	58.3 Å²	58.3	11%	0.113	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-42.9	177.2	0	0	0	0	0	112.8	F605 L606 L607 L612 N613	F605-G609 PolarHBondContact O-N 3.07Å; L606-G609 PolarHBondContact O-N 3.35Å; L607-G609 PolarHBondContact O-N 3.37Å; G609-L612 PolarHBondContact O-N 3.13Å; G609-N613 PolarHBondContact O-N 3.2Å; G609-N613 PolarHBondContact O-ND2 3.23Å
610	N	91.8	Very high	89.1	Confident	36 Å²	36	56.3 Å²	56.3	19%	0.193	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-44	176.9	-87	-89.5	0	0	0	111.4	I558 S562 L606 L607 V608 L612 N613 W614	I558-N610 VanDerWaalsContact CG2-OD1 3.27Å; I558-N610 WeakPolarHBondContact CG2-OD1 3.1Å; S562-N610 PolarHBondContact OG-ND2 3.47Å; S562-N610 PolarHBondContact OG-OD1 3.02Å; L606-N610 VanDerWaalsContact O-CB 3.28Å; L606-N610 WeakPolarHBondContact O-CB 3.42Å; L606-N610 PolarHBondContact O-N 3.24Å; L606-N610 PolarHBondContact O-ND2 3.25Å; L607-N610 PolarHBondContact O-N 3.2Å; V608-N610 PolarHBondContact O-N 3.34Å; N610-L612 VanDerWaalsContact C-N 3.29Å; N610-L612 PolarHBondContact O-N 3.37Å; N610-N613 PolarHBondContact O-N 3.33Å; N610-W614 WeakPolarHBondContact O-CB 3.14Å; N610-W614 PolarHBondContact O-N 3.27Å
611	V	93.3	Very high	89.6	Confident	98 Å²	98	56 Å²	56	59%	0.594	30%	0.297	S	S	*	.	H	α-helix	trans	-57	-44.7	175.7	169	0	0	0	0	110.9	L607 V608 G615	L607-V611 HydrophobicContact CD2-CG2 4.16Å; L607-V611 VanDerWaalsContact O-CG2 3.28Å; L607-V611 WeakPolarHBondContact O-CG2 3.46Å; L607-V611 PolarHBondContact O-N 2.91Å; V608-V611 PolarHBondContact O-N 3.12Å; V611-G615 PolarHBondContact O-N 3.26Å
612	L	93.9	Very high	90.2	Very high	64 Å²	64	61.6 Å²	61.6	34%	0.335	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-47.5	177.4	-173.6	67.2	0	0	0	112.1	V608 G609 N610 G615 F616 L642	V608-L612 PolarHBondContact O-N 3.32Å; G609-L612 PolarHBondContact O-N 3.13Å; N610-L612 VanDerWaalsContact C-N 3.29Å; N610-L612 PolarHBondContact O-N 3.37Å; L612-G615 WeakPolarHBondContact O-CA 3.15Å; L612-G615 PolarHBondContact O-N 3.14Å; L612-G615 VanDerWaalsContact O-N 3.12Å; L612-F616 HydrophobicContact CD1-CE2 4.26Å; L612-F616 HydrophobicContact CD1-CZ 4.06Å; L612-F616 HydrophobicContact CD2-CE2 3.99Å; L612-F616 HydrophobicContact CD2-CZ 4.25Å; L612-F616 HydrophobicContact CG-CD2 4.37Å; L612-F616 HydrophobicContact CG-CE2 3.66Å; L612-F616 HydrophobicContact CG-CZ 3.96Å; L612-F616 WeakPolarHBondContact O-CD2 3.32Å; L612-F616 PolarHBondContact O-N 2.78Å; L612-L642 HydrophobicContact CB-CD1 4.38Å; L612-L642 HydrophobicContact CD2-CD1 3.49Å; L612-L642 VanDerWaalsContact CD2-CD1 3.49Å; L612-L642 HydrophobicContact CD2-CG 4.15Å
613	N	94.8	Very high	90.5	Very high	8 Å²	8	67.9 Å²	67.9	4%	0.043	35%	0.351	C	S	.	.	H	α-helix	trans	-67	-36.4	-179.6	-75.1	-84	0	0	0	112.6	Y554 I558 G609 N610 G615 F616 I617 N639	Y554-N613 PolarHBondContact OH-OD1 3.33Å; I558-N613 HydrophobicContact CD1-CB 3.62Å; I558-N613 HydrophobicContact CG1-CB 4.04Å; I558-N613 HydrophobicContact CG2-CB 4.32Å; G609-N613 PolarHBondContact O-N 3.2Å; G609-N613 PolarHBondContact O-ND2 3.23Å; N610-N613 PolarHBondContact O-N 3.33Å; N613-G615 VanDerWaalsContact C-N 3.3Å; N613-G615 PolarHBondContact O-N 3.46Å; N613-F616 WeakPolarHBondContact O-CB 3.4Å; N613-F616 PolarHBondContact O-N 2.99Å; N613-I617 PolarHBondContact O-N 3.06Å; N613-N639 PolarHBondContact ND2-OD1 3.31Å; N613-N639 PolarHBondContact OD1-ND2 2.96Å; N613-N639 PolarHBondContact OD1-OD1 3.26Å
614	W	94.3	Very high	90.6	Very high	134 Å²	134	67.6 Å²	67.6	51%	0.508	35%	0.349	S	S	.	.	H	α-helix	trans	-63.9	-36.8	170	-83.5	107.4	0	0	0	111.8	A555 N610 F616 I617 I618	A555-W614 HydrophobicContact CB-CH2 4.43Å; N610-W614 WeakPolarHBondContact O-CB 3.14Å; N610-W614 PolarHBondContact O-N 3.27Å; W614-F616 VanDerWaalsContact C-N 3.34Å; W614-F616 PolarHBondContact O-N 2.91Å; W614-I617 HydrophobicContact CD2-CD1 4.39Å; W614-I617 HydrophobicContact CE3-CD1 4.07Å; W614-I617 HydrophobicContact CE3-CG2 4.43Å; W614-I617 HydrophobicContact CZ3-CD1 4.33Å; W614-I617 PolarHBondContact O-N 3.22Å; W614-I618 WeakPolarHBondContact O-CG1 3.44Å; W614-I618 PolarHBondContact O-N 3.47Å
615	G	94.5	Very high	90.5	Very high	37 Å²	37	64.9 Å²	64.9	38%	0.381	33%	0.33	S	S	.	.	H	α-helix	trans	-57.7	-44.4	170	0	0	0	0	0	112.5	V611 L612 N613 I618 F619	V611-G615 PolarHBondContact O-N 3.26Å; L612-G615 WeakPolarHBondContact O-CA 3.15Å; L612-G615 PolarHBondContact O-N 3.14Å; L612-G615 VanDerWaalsContact O-N 3.12Å; N613-G615 VanDerWaalsContact C-N 3.3Å; N613-G615 PolarHBondContact O-N 3.46Å; G615-I618 PolarHBondContact O-N 3.19Å; G615-F619 WeakPolarHBondContact O-CB 3.31Å; G615-F619 PolarHBondContact O-N 3.41Å
616	F	94.4	Very high	90.1	Very high	30 Å²	30	63.7 Å²	63.7	13%	0.132	34%	0.338	C	S	.	.	H	α-helix	trans	-64	-41.4	174.6	-65.7	-46	0	0	0	112.8	Y554 L612 N613 W614 F619 G620 F631 V634 I635 S638	Y554-F616 HydrophobicContact CE1-CB 4.3Å; L612-F616 HydrophobicContact CD1-CE2 4.26Å; L612-F616 HydrophobicContact CD1-CZ 4.06Å; L612-F616 HydrophobicContact CD2-CE2 3.99Å; L612-F616 HydrophobicContact CD2-CZ 4.25Å; L612-F616 HydrophobicContact CG-CD2 4.37Å; L612-F616 HydrophobicContact CG-CE2 3.66Å; L612-F616 HydrophobicContact CG-CZ 3.96Å; L612-F616 WeakPolarHBondContact O-CD2 3.32Å; L612-F616 PolarHBondContact O-N 2.78Å; N613-F616 WeakPolarHBondContact O-CB 3.4Å; N613-F616 PolarHBondContact O-N 2.99Å; W614-F616 VanDerWaalsContact C-N 3.34Å; W614-F616 PolarHBondContact O-N 2.91Å; F616-F619 PolarHBondContact O-N 3.05Å; F616-G620 PolarHBondContact O-N 3.24Å; F616-F631 HydrophobicContact CB-CE2 4.44Å; F616-F631 HydrophobicContact CB-CZ 4.3Å; F616-F631 WeakPolarHBondContact O-CZ 3.33Å; F616-V634 HydrophobicContact CE1-CG1 3.94Å; F616-V634 HydrophobicContact CZ-CG1 4.16Å; F616-I635 HydrophobicContact CB-CD1 4.46Å; F616-I635 HydrophobicContact CB-CG1 4.18Å; F616-I635 HydrophobicContact CD2-CG1 3.92Å; F616-I635 HydrophobicContact CG-CG1 4.04Å; F616-S638 WeakPolarHBondContact CZ-OG 3.32Å
617	I	93.1	Very high	89.8	Confident	10 Å²	10	62.5 Å²	62.5	5%	0.051	33%	0.331	C	S	.	.	H	α-helix	trans	-57.5	-50.5	175.1	-74.1	167.8	0	0	0	110.9	T551 Y554 A555 I558 N613 W614 F619 G620 M621	T551-I617 HydrophobicContact CG2-CG2 3.57Å; Y554-I617 HydrophobicContact CD1-CD1 4.02Å; Y554-I617 HydrophobicContact CD1-CG1 3.38Å; Y554-I617 HydrophobicContact CE1-CD1 4.34Å; Y554-I617 HydrophobicContact CE1-CG1 3.63Å; Y554-I617 HydrophobicContact CG-CG1 4.3Å; A555-I617 HydrophobicContact CB-CD1 4.04Å; I558-I617 HydrophobicContact CD1-CD1 3.64Å; I558-I617 HydrophobicContact CD1-CG1 4.43Å; N613-I617 PolarHBondContact O-N 3.06Å; W614-I617 HydrophobicContact CD2-CD1 4.39Å; W614-I617 HydrophobicContact CE3-CD1 4.07Å; W614-I617 HydrophobicContact CE3-CG2 4.43Å; W614-I617 HydrophobicContact CZ3-CD1 4.33Å; W614-I617 PolarHBondContact O-N 3.22Å; I617-F619 PolarHBondContact O-N 3.43Å; I617-G620 PolarHBondContact O-N 3.14Å; I617-M621 PolarHBondContact O-N 2.82Å
618	I	93.1	Very high	89.8	Confident	94 Å²	94	57.4 Å²	57.4	48%	0.482	31%	0.305	S	S	.	.	H	α-helix	trans	-62.1	-46.4	-179	-67.3	165.6	0	0	0	110	W614 G615 G620 M621 M622	W614-I618 WeakPolarHBondContact O-CG1 3.44Å; W614-I618 PolarHBondContact O-N 3.47Å; G615-I618 PolarHBondContact O-N 3.19Å; I618-G620 PolarHBondContact O-N 3.24Å; I618-M621 PolarHBondContact O-N 3.26Å; I618-M622 HydrophobicContact CG2-CG 4.33Å; I618-M622 HydrophobicContact CG2-SD 3.72Å; I618-M622 WeakPolarHBondContact O-CB 3.45Å; I618-M622 VanDerWaalsContact O-CG 3.29Å; I618-M622 WeakPolarHBondContact O-CG 3.29Å; I618-M622 PolarHBondContact O-N 2.82Å
619	F	93.3	Very high	89.7	Confident	106 Å²	106	54 Å²	54	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-45.8	177.5	178.6	-93.4	0	0	0	112.2	G615 F616 I617 M621 M622 K623 F631	G615-F619 WeakPolarHBondContact O-CB 3.31Å; G615-F619 PolarHBondContact O-N 3.41Å; F616-F619 PolarHBondContact O-N 3.05Å; I617-F619 PolarHBondContact O-N 3.43Å; F619-M621 PolarHBondContact O-N 3.45Å; F619-M622 PolarHBondContact O-N 3.19Å; F619-K623 HydrophobicContact CD2-CG 4.14Å; F619-K623 HydrophobicContact CE1-CB 4.46Å; F619-K623 HydrophobicContact CE2-CB 4.3Å; F619-K623 HydrophobicContact CE2-CG 3.8Å; F619-K623 HydrophobicContact CZ-CB 4.2Å; F619-K623 HydrophobicContact CZ-CG 4.16Å; F619-K623 WeakPolarHBondContact O-CB 3.44Å; F619-K623 PolarHBondContact O-N 3.33Å; F619-F631 HydrophobicContact CD1-CD2 4.29Å; F619-F631 AromaticContact CD1-CE2 3.91Å; F619-F631 HydrophobicContact CD1-CE2 3.91Å; F619-F631 HydrophobicContact CE1-CD2 4.45Å
620	G	90.1	Very high	89.7	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-58.7	-46.8	177.8	0	0	0	0	0	112.2	F616 I617 I618 Q624	F616-G620 PolarHBondContact O-N 3.24Å; I617-G620 PolarHBondContact O-N 3.14Å; I618-G620 PolarHBondContact O-N 3.24Å; G620-Q624 VanDerWaalsContact O-CA 3.28Å; G620-Q624 WeakPolarHBondContact O-CA 3.37Å; G620-Q624 PolarHBondContact O-N 2.86Å
621	M	89.2	Confident	89.6	Confident	67 Å²	67	54.4 Å²	54.4	33%	0.33	28%	0.282	S	S	.	.	H	α-helix	trans	-66.4	-37.2	177.9	-77.4	-62.1	-64.7	0	0	113.7	W547 I548 T551 I617 I618 F619	W547-M621 HydrophobicContact CB-SD 4.12Å; I548-M621 HydrophobicContact CG1-CE 4.18Å; T551-M621 HydrophobicContact CG2-CG 4.05Å; T551-M621 HydrophobicContact CG2-SD 4.35Å; T551-M621 VanDerWaalsContact OG1-CG 3.3Å; T551-M621 WeakPolarHBondContact OG1-CG 3.39Å; T551-M621 PolarHBondContact OG1-SD 3.46Å; I617-M621 PolarHBondContact O-N 2.82Å; I618-M621 PolarHBondContact O-N 3.26Å; F619-M621 PolarHBondContact O-N 3.45Å
622	M	90	Very high	89.6	Confident	148 Å²	148	50.2 Å²	50.2	73%	0.729	26%	0.257	S	S	*	.	H	α-helix	trans	-78.2	-40.8	-177.9	-72.5	-178.7	71	0	0	113.5	I618 F619	I618-M622 HydrophobicContact CG2-CG 4.33Å; I618-M622 HydrophobicContact CG2-SD 3.72Å; I618-M622 WeakPolarHBondContact O-CB 3.45Å; I618-M622 VanDerWaalsContact O-CG 3.29Å; I618-M622 WeakPolarHBondContact O-CG 3.29Å; I618-M622 PolarHBondContact O-N 2.82Å; F619-M622 PolarHBondContact O-N 3.19Å
623	K	87.6	Confident	89.5	Confident	150 Å²	150	47.4 Å²	47.4	65%	0.652	24%	0.242	S	C	*	.	H	α-helix	trans	-102	-20.1	-172.4	-68.9	-62.1	-173.1	-178.5	0	113.9	F619 P625	F619-K623 HydrophobicContact CD2-CG 4.14Å; F619-K623 HydrophobicContact CE1-CB 4.46Å; F619-K623 HydrophobicContact CE2-CB 4.3Å; F619-K623 HydrophobicContact CE2-CG 3.8Å; F619-K623 HydrophobicContact CZ-CB 4.2Å; F619-K623 HydrophobicContact CZ-CG 4.16Å; F619-K623 WeakPolarHBondContact O-CB 3.44Å; F619-K623 PolarHBondContact O-N 3.33Å; K623-P625 VanDerWaalsContact C-N 3.34Å
624	Q	86.1	Confident	89.4	Confident	66 Å²	66	50 Å²	50	31%	0.308	26%	0.258	S	S	.	.			trans	41.6	58.1	-179.6	-62.5	-179.4	6.6	0	0	111.7	W547 G620 G626	W547-Q624 HydrophobicContact CB-CG 4.46Å; W547-Q624 HydrophobicContact CD2-CB 4.37Å; W547-Q624 HydrophobicContact CD2-CG 4.16Å; W547-Q624 HydrophobicContact CG-CB 4.32Å; W547-Q624 HydrophobicContact CG-CG 3.83Å; G620-Q624 VanDerWaalsContact O-CA 3.28Å; G620-Q624 WeakPolarHBondContact O-CA 3.37Å; G620-Q624 PolarHBondContact O-N 2.86Å; Q624-G626 PolarHBondContact O-N 2.78Å; Q624-G626 VanDerWaalsContact O-N 3.14Å
625	P	83	Confident	89.4	Confident	20 Å²	20	43.9 Å²	43.9	13%	0.13	24%	0.236	C	C	.	.			trans	-56.2	123.5	-173.9	23.7	-34.9	0	0	0	110.4	W547 K623 D627 F631	W547-P625 VanDerWaalsContact CH2-CD 3.45Å; W547-P625 HydrophobicContact CH2-CG 3.61Å; W547-P625 VanDerWaalsContact CZ2-CD 3.44Å; W547-P625 HydrophobicContact CZ2-CG 3.82Å; W547-P625 WeakPolarHBondContact CZ2-O 3.3Å; K623-P625 VanDerWaalsContact C-N 3.34Å; P625-D627 PolarHBondContact O-N 2.84Å; P625-F631 HydrophobicContact CG-CB 4.04Å; P625-F631 HydrophobicContact CG-CD2 4.13Å; P625-F631 HydrophobicContact CG-CG 4.05Å
626	G	74.2	Confident	89.4	Confident	44 Å²	44	43.6 Å²	43.6	45%	0.454	22%	0.224	S	C	.	.	S	Bend	trans	-61.9	-17.2	-179.3	0	0	0	0	0	114.2	Q624 F628	Q624-G626 PolarHBondContact O-N 2.78Å; Q624-G626 VanDerWaalsContact O-N 3.14Å; G626-F628 PolarHBondContact O-N 2.78Å
627	D	81.7	Confident	89.3	Confident	7 Å²	7	45.3 Å²	45.3	4%	0.037	23%	0.234	C	C	.	.			trans	-101.4	77.5	172.6	-179.6	-2.4	0	0	0	109.7	F491 P625 P629 L630 F631 W687 R688	F491-D627 VanDerWaalsContact CE1-OD1 3.31Å; F491-D627 WeakPolarHBondContact CE1-OD1 3.42Å; P625-D627 PolarHBondContact O-N 2.84Å; D627-P629 VanDerWaalsContact C-CD 3.49Å; D627-P629 WeakPolarHBondContact OD1-CD 3.36Å; D627-L630 VanDerWaalsContact CG-CB 3.45Å; D627-L630 VanDerWaalsContact OD1-CB 3.31Å; D627-L630 WeakPolarHBondContact OD1-CB 3.27Å; D627-L630 PolarHBondContact OD1-N 3.46Å; D627-L630 VanDerWaalsContact OD2-CB 3.31Å; D627-L630 WeakPolarHBondContact OD2-CB 3.4Å; D627-F631 PolarHBondContact O-N 2.71Å; D627-W687 HydrophobicContact CB-CH2 3.52Å; D627-W687 HydrophobicContact CB-CZ2 3.84Å; D627-W687 HydrophobicContact CB-CZ3 4.43Å; D627-W687 VanDerWaalsContact CG-CH2 3.48Å; D627-W687 WeakPolarHBondContact OD1-CZ2 3.35Å; D627-W687 WeakPolarHBondContact OD2-CZ2 3.23Å; D627-R688 HydrophobicContact CB-CG 4.27Å; D627-R688 VanDerWaalsContact CG-NH2 3.27Å; D627-R688 IonicContact OD2-CZ 2.96Å; D627-R688 VanDerWaalsContact OD2-CZ 3.3Å; D627-R688 IonicContact OD2-NE 2.67Å; D627-R688 PolarHBondContact OD2-NE 3.08Å; D627-R688 VanDerWaalsContact OD2-NE 3.13Å; D627-R688 IonicContact OD2-NH2 2.8Å; D627-R688 PolarHBondContact OD2-NH2 2.88Å
628	F	88.5	Confident	89.3	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-39.8	175.7	-179.2	-100.5	0	0	0	112.7	L534 F546 W547 F550 G626 L630 F631 L632	L534-F628 HydrophobicContact CG-CE1 4.25Å; L534-F628 HydrophobicContact CG-CZ 4.24Å; L534-F628 WeakPolarHBondContact O-CE1 3.46Å; F546-F628 HydrophobicContact CE1-CD1 4.41Å; F546-F628 AromaticContact CE1-CD2 3.58Å; F546-F628 HydrophobicContact CE1-CD2 3.58Å; F546-F628 HydrophobicContact CE1-CE1 4.47Å; F546-F628 AromaticContact CE1-CE2 3.65Å; F546-F628 HydrophobicContact CE1-CE2 3.65Å; F546-F628 AromaticContact CE1-CG 3.98Å; F546-F628 HydrophobicContact CE1-CG 3.98Å; F546-F628 HydrophobicContact CE1-CZ 4.11Å; F546-F628 HydrophobicContact CZ-CD1 4.03Å; F546-F628 AromaticContact CZ-CD2 3.9Å; F546-F628 HydrophobicContact CZ-CD2 3.9Å; F546-F628 AromaticContact CZ-CE1 3.8Å; F546-F628 HydrophobicContact CZ-CE1 3.8Å; F546-F628 AromaticContact CZ-CE2 3.66Å; F546-F628 HydrophobicContact CZ-CE2 3.66Å; F546-F628 HydrophobicContact CZ-CG 4.07Å; F546-F628 AromaticContact CZ-CZ 3.61Å; F546-F628 HydrophobicContact CZ-CZ 3.61Å; W547-F628 AromaticContact CH2-CD2 3.88Å; W547-F628 HydrophobicContact CH2-CD2 3.88Å; W547-F628 HydrophobicContact CH2-CE2 4.42Å; W547-F628 HydrophobicContact CZ2-CD2 4.13Å; W547-F628 HydrophobicContact CZ3-CD2 4.47Å; F550-F628 HydrophobicContact CD1-CE2 4.02Å; F550-F628 AromaticContact CD2-CE2 3.79Å; F550-F628 HydrophobicContact CD2-CE2 3.79Å; F550-F628 AromaticContact CD2-CZ 3.55Å; F550-F628 HydrophobicContact CD2-CZ 3.55Å; F550-F628 HydrophobicContact CE1-CE2 4.04Å; F550-F628 AromaticContact CE2-CE2 3.79Å; F550-F628 HydrophobicContact CE2-CE2 3.79Å; F550-F628 AromaticContact CE2-CZ 3.47Å; F550-F628 HydrophobicContact CE2-CZ 3.47Å; F550-F628 VanDerWaalsContact CE2-CZ 3.47Å; F550-F628 AromaticContact CG-CE2 3.9Å; F550-F628 HydrophobicContact CG-CE2 3.9Å; F550-F628 HydrophobicContact CG-CZ 4.14Å; F550-F628 AromaticContact CZ-CE2 3.91Å; F550-F628 HydrophobicContact CZ-CE2 3.91Å; F550-F628 HydrophobicContact CZ-CZ 4Å; G626-F628 PolarHBondContact O-N 2.78Å; F628-L630 PolarHBondContact O-N 3.13Å; F628-F631 HydrophobicContact CD2-CD1 4.34Å; F628-F631 HydrophobicContact CE2-CD1 4.38Å; F628-F631 WeakPolarHBondContact O-CB 3.17Å; F628-F631 PolarHBondContact O-N 3.13Å; F628-L632 HydrophobicContact CE1-CD2 4.41Å; F628-L632 PolarHBondContact O-N 3.38Å
629	P	87.4	Confident	89.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-43.7	179.1	-21.1	31.8	0	0	0	113.2	F491 T495 Y499 V539 D627 F631 L632 V633	F491-P629 HydrophobicContact CD1-CB 4.1Å; F491-P629 HydrophobicContact CD1-CG 4.13Å; F491-P629 HydrophobicContact CE1-CB 3.8Å; F491-P629 HydrophobicContact CE1-CG 4.2Å; T495-P629 HydrophobicContact CG2-CB 4.24Å; Y499-P629 WeakPolarHBondContact OH-CA 2.99Å; Y499-P629 VanDerWaalsContact OH-CB 3.26Å; Y499-P629 WeakPolarHBondContact OH-CB 3.44Å; Y499-P629 PolarHBondContact OH-O 2.02Å; V539-P629 HydrophobicContact CG2-CG 3.3Å; D627-P629 VanDerWaalsContact C-CD 3.49Å; D627-P629 WeakPolarHBondContact OD1-CD 3.36Å; P629-F631 VanDerWaalsContact C-N 3.3Å; P629-F631 PolarHBondContact O-N 3.43Å; P629-L632 PolarHBondContact O-N 3Å; P629-V633 WeakPolarHBondContact O-CG2 3.34Å; P629-V633 PolarHBondContact O-N 3.03Å
630	L	88.4	Confident	89.4	Confident	41 Å²	41	39.7 Å²	39.7	22%	0.215	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-39.4	175.4	-177.4	64.3	0	0	0	111.6	D627 F628 L632 V633 V634 F680 R688	D627-L630 VanDerWaalsContact CG-CB 3.45Å; D627-L630 VanDerWaalsContact OD1-CB 3.31Å; D627-L630 WeakPolarHBondContact OD1-CB 3.27Å; D627-L630 PolarHBondContact OD1-N 3.46Å; D627-L630 VanDerWaalsContact OD2-CB 3.31Å; D627-L630 WeakPolarHBondContact OD2-CB 3.4Å; F628-L630 PolarHBondContact O-N 3.13Å; L630-L632 VanDerWaalsContact C-N 3.29Å; L630-L632 PolarHBondContact O-N 3.36Å; L630-V633 WeakPolarHBondContact O-CB 3.4Å; L630-V633 PolarHBondContact O-N 3.45Å; L630-V633 VanDerWaalsContact O-N 3.15Å; L630-V634 WeakPolarHBondContact O-CG2 3.35Å; L630-V634 PolarHBondContact O-N 3.31Å; L630-F680 HydrophobicContact CD1-CZ 4.05Å; L630-R688 VanDerWaalsContact CD2-NH2 3.3Å
631	F	91.5	Very high	89.5	Confident	15 Å²	15	43.1 Å²	43.1	7%	0.066	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-42.4	175.3	173.9	-105.6	0	0	0	111.7	W547 F550 F616 F619 P625 D627 F628 P629 V634 I635	W547-F631 AromaticContact CH2-CD1 3.9Å; W547-F631 HydrophobicContact CH2-CD1 3.9Å; W547-F631 HydrophobicContact CH2-CE1 4.07Å; W547-F631 HydrophobicContact CH2-CG 4.41Å; W547-F631 HydrophobicContact CZ3-CD1 4.18Å; W547-F631 AromaticContact CZ3-CE1 3.87Å; W547-F631 HydrophobicContact CZ3-CE1 3.87Å; W547-F631 HydrophobicContact CZ3-CZ 4.43Å; F550-F631 AromaticContact CE1-CE1 3.85Å; F550-F631 HydrophobicContact CE1-CE1 3.85Å; F550-F631 HydrophobicContact CZ-CE1 4.3Å; F616-F631 HydrophobicContact CB-CE2 4.44Å; F616-F631 HydrophobicContact CB-CZ 4.3Å; F616-F631 WeakPolarHBondContact O-CZ 3.33Å; F619-F631 HydrophobicContact CD1-CD2 4.29Å; F619-F631 AromaticContact CD1-CE2 3.91Å; F619-F631 HydrophobicContact CD1-CE2 3.91Å; F619-F631 HydrophobicContact CE1-CD2 4.45Å; P625-F631 HydrophobicContact CG-CB 4.04Å; P625-F631 HydrophobicContact CG-CD2 4.13Å; P625-F631 HydrophobicContact CG-CG 4.05Å; D627-F631 PolarHBondContact O-N 2.71Å; F628-F631 HydrophobicContact CD2-CD1 4.34Å; F628-F631 HydrophobicContact CE2-CD1 4.38Å; F628-F631 WeakPolarHBondContact O-CB 3.17Å; F628-F631 PolarHBondContact O-N 3.13Å; P629-F631 VanDerWaalsContact C-N 3.3Å; P629-F631 PolarHBondContact O-N 3.43Å; F631-V634 PolarHBondContact O-N 2.93Å; F631-I635 HydrophobicContact CD1-CD1 4.06Å; F631-I635 HydrophobicContact CE1-CD1 3.55Å; F631-I635 HydrophobicContact CE2-CD1 4.42Å; F631-I635 HydrophobicContact CZ-CD1 3.76Å; F631-I635 PolarHBondContact O-N 3.29Å
632	L	92.5	Very high	89.6	Confident	10 Å²	10	41.9 Å²	41.9	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-38.2	174.9	-167.5	64.1	0	0	0	111.9	Y499 I531 A535 F628 P629 L630 V634 I635 F636	Y499-L632 HydrophobicContact CE1-CB 3.91Å; Y499-L632 HydrophobicContact CE1-CD2 4.04Å; Y499-L632 HydrophobicContact CE1-CG 3.89Å; Y499-L632 HydrophobicContact CE2-CD2 4.1Å; I531-L632 HydrophobicContact CG2-CD2 3.88Å; A535-L632 HydrophobicContact CB-CD2 4.25Å; F628-L632 HydrophobicContact CE1-CD2 4.41Å; F628-L632 PolarHBondContact O-N 3.38Å; P629-L632 PolarHBondContact O-N 3Å; L630-L632 VanDerWaalsContact C-N 3.29Å; L630-L632 PolarHBondContact O-N 3.36Å; L632-V634 VanDerWaalsContact C-N 3.31Å; L632-V634 PolarHBondContact O-N 3.37Å; L632-I635 WeakPolarHBondContact O-CB 3.49Å; L632-I635 PolarHBondContact O-N 3.47Å; L632-I635 VanDerWaalsContact O-N 3.17Å; L632-F636 HydrophobicContact CD1-CD2 4.24Å; L632-F636 HydrophobicContact CD1-CE2 3.96Å; L632-F636 HydrophobicContact CG-CD2 4.09Å; L632-F636 HydrophobicContact CG-CE2 3.98Å; L632-F636 WeakPolarHBondContact O-CD2 3.46Å; L632-F636 PolarHBondContact O-N 2.83Å
633	V	92.3	Very high	89.7	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-44.9	177.3	169.1	0	0	0	0	109.7	T495 M498 Y499 P629 L630 I635 F636 I637	T495-V633 HydrophobicContact CG2-CG2 4.32Å; M498-V633 HydrophobicContact CB-CG2 4.27Å; M498-V633 HydrophobicContact CE-CG1 3.69Å; M498-V633 HydrophobicContact SD-CG1 4.22Å; M498-V633 HydrophobicContact SD-CG2 3.99Å; Y499-V633 HydrophobicContact CD1-CG2 3.97Å; Y499-V633 HydrophobicContact CE1-CB 4.05Å; Y499-V633 HydrophobicContact CE1-CG2 3.24Å; P629-V633 WeakPolarHBondContact O-CG2 3.34Å; P629-V633 PolarHBondContact O-N 3.03Å; L630-V633 WeakPolarHBondContact O-CB 3.4Å; L630-V633 PolarHBondContact O-N 3.45Å; L630-V633 VanDerWaalsContact O-N 3.15Å; V633-I635 VanDerWaalsContact C-N 3.29Å; V633-I635 PolarHBondContact O-N 3.25Å; V633-F636 PolarHBondContact O-N 2.89Å; V633-F636 VanDerWaalsContact O-N 3.16Å; V633-I637 HydrophobicContact CG1-CD1 3.5Å; V633-I637 HydrophobicContact CG1-CG1 4.12Å; V633-I637 WeakPolarHBondContact O-CG1 3.26Å; V633-I637 PolarHBondContact O-N 3.17Å
634	V	92.7	Very high	89.9	Confident	63 Å²	63	30.8 Å²	30.8	38%	0.382	17%	0.172	S	C	.	.	H	α-helix	trans	-58.7	-41.2	177.5	171.9	0	0	0	0	111.2	F616 L630 F631 L632 S638	F616-V634 HydrophobicContact CE1-CG1 3.94Å; F616-V634 HydrophobicContact CZ-CG1 4.16Å; L630-V634 WeakPolarHBondContact O-CG2 3.35Å; L630-V634 PolarHBondContact O-N 3.31Å; F631-V634 PolarHBondContact O-N 2.93Å; L632-V634 VanDerWaalsContact C-N 3.31Å; L632-V634 PolarHBondContact O-N 3.37Å; V634-S638 WeakPolarHBondContact O-CB 3.47Å; V634-S638 PolarHBondContact O-N 2.64Å; V634-S638 PolarHBondContact O-OG 2.87Å
635	I	94	Very high	90.1	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-48.1	175.3	-69.2	166.5	0	0	0	111.1	F550 Y554 F616 F631 L632 V633 N639	F550-I635 HydrophobicContact CZ-CD1 4.49Å; Y554-I635 HydrophobicContact CE1-CD1 3.76Å; Y554-I635 HydrophobicContact CE2-CG2 4.07Å; Y554-I635 VanDerWaalsContact OH-CG2 3.24Å; Y554-I635 WeakPolarHBondContact OH-CG2 3.45Å; F616-I635 HydrophobicContact CB-CD1 4.46Å; F616-I635 HydrophobicContact CB-CG1 4.18Å; F616-I635 HydrophobicContact CD2-CG1 3.92Å; F616-I635 HydrophobicContact CG-CG1 4.04Å; F631-I635 HydrophobicContact CD1-CD1 4.06Å; F631-I635 HydrophobicContact CE1-CD1 3.55Å; F631-I635 HydrophobicContact CE2-CD1 4.42Å; F631-I635 HydrophobicContact CZ-CD1 3.76Å; F631-I635 PolarHBondContact O-N 3.29Å; L632-I635 WeakPolarHBondContact O-CB 3.49Å; L632-I635 PolarHBondContact O-N 3.47Å; L632-I635 VanDerWaalsContact O-N 3.17Å; V633-I635 VanDerWaalsContact C-N 3.29Å; V633-I635 PolarHBondContact O-N 3.25Å; I635-N639 WeakPolarHBondContact O-CB 3.33Å; I635-N639 PolarHBondContact O-N 3.27Å; I635-N639 PolarHBondContact O-ND2 3.38Å
636	F	94	Very high	90.5	Very high	30 Å²	30	32.8 Å²	32.8	13%	0.132	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-49.3	-179	-91.4	-103.7	0	0	0	112	Y499 A502 A503 M506 I531 L632 V633 N639 L640	Y499-F636 HydrophobicContact CD1-CD2 4.2Å; Y499-F636 HydrophobicContact CD1-CG 4.34Å; A502-F636 HydrophobicContact CB-CB 3.92Å; A502-F636 HydrophobicContact CB-CD1 3.99Å; A502-F636 HydrophobicContact CB-CG 4.44Å; A503-F636 HydrophobicContact CB-CE1 4.38Å; M506-F636 HydrophobicContact CE-CD1 3.71Å; M506-F636 HydrophobicContact CE-CE1 4.13Å; I531-F636 HydrophobicContact CD1-CZ 3.88Å; I531-F636 HydrophobicContact CG2-CE2 4.15Å; I531-F636 HydrophobicContact CG2-CZ 4Å; L632-F636 HydrophobicContact CD1-CD2 4.24Å; L632-F636 HydrophobicContact CD1-CE2 3.96Å; L632-F636 HydrophobicContact CG-CD2 4.09Å; L632-F636 HydrophobicContact CG-CE2 3.98Å; L632-F636 WeakPolarHBondContact O-CD2 3.46Å; L632-F636 PolarHBondContact O-N 2.83Å; V633-F636 PolarHBondContact O-N 2.89Å; V633-F636 VanDerWaalsContact O-N 3.16Å; F636-N639 PolarHBondContact O-N 3.05Å; F636-L640 WeakPolarHBondContact O-CB 3.26Å; F636-L640 PolarHBondContact O-N 2.87Å
637	I	93.2	Very high	91.3	Very high	67 Å²	67	30.9 Å²	30.9	34%	0.344	16%	0.161	S	C	.	.	H	α-helix	trans	-65.1	-42.1	-179.7	-65.3	176.7	0	0	0	110.5	V633 N639 L640 M641	V633-I637 HydrophobicContact CG1-CD1 3.5Å; V633-I637 HydrophobicContact CG1-CG1 4.12Å; V633-I637 WeakPolarHBondContact O-CG1 3.26Å; V633-I637 PolarHBondContact O-N 3.17Å; I637-N639 PolarHBondContact O-N 3.25Å; I637-L640 PolarHBondContact O-N 2.8Å; I637-M641 HydrophobicContact CG2-CG 4.25Å; I637-M641 WeakPolarHBondContact O-CB 3.37Å; I637-M641 VanDerWaalsContact O-CG 3.31Å; I637-M641 WeakPolarHBondContact O-CG 3.41Å; I637-M641 PolarHBondContact O-N 3.26Å
638	S	93.4	Very high	91.7	Very high	30 Å²	30	32.4 Å²	32.4	21%	0.21	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-43.8	178.8	-61.5	0	0	0	0	111.9	F616 V634 M641 L642	F616-S638 WeakPolarHBondContact CZ-OG 3.32Å; V634-S638 WeakPolarHBondContact O-CB 3.47Å; V634-S638 PolarHBondContact O-N 2.64Å; V634-S638 PolarHBondContact O-OG 2.87Å; S638-M641 PolarHBondContact O-N 3.4Å; S638-L642 WeakPolarHBondContact O-CB 3.38Å; S638-L642 WeakPolarHBondContact O-CG 3.49Å; S638-L642 PolarHBondContact O-N 3.44Å
639	N	93.6	Very high	91.8	Very high	42 Å²	42	34.5 Å²	34.5	23%	0.225	19%	0.185	C	C	.	.	H	α-helix	trans	-67.7	-37.7	175.2	-77.5	-62.2	0	0	0	112.3	M506 N613 I635 F636 I637 L642 Y643	M506-N639 HydrophobicContact SD-CB 4.4Å; N613-N639 PolarHBondContact ND2-OD1 3.31Å; N613-N639 PolarHBondContact OD1-ND2 2.96Å; N613-N639 PolarHBondContact OD1-OD1 3.26Å; I635-N639 WeakPolarHBondContact O-CB 3.33Å; I635-N639 PolarHBondContact O-N 3.27Å; I635-N639 PolarHBondContact O-ND2 3.38Å; F636-N639 PolarHBondContact O-N 3.05Å; I637-N639 PolarHBondContact O-N 3.25Å; N639-L642 PolarHBondContact O-N 3.21Å; N639-Y643 WeakPolarHBondContact O-CB 3.43Å; N639-Y643 PolarHBondContact O-N 3.5Å
640	L	93.9	Very high	91.8	Very high	20 Å²	20	34.8 Å²	34.8	11%	0.105	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-46	173.7	173.7	63	0	0	0	111.7	A502 C505 M506 I509 F636 I637 Y643 L644	A502-L640 HydrophobicContact CB-CD2 4.4Å; C505-L640 HydrophobicContact CB-CD1 3.47Å; C505-L640 VanDerWaalsContact CB-CD1 3.47Å; C505-L640 HydrophobicContact CB-CD2 3.85Å; C505-L640 HydrophobicContact CB-CG 4.32Å; M506-L640 HydrophobicContact CG-CB 4.11Å; M506-L640 HydrophobicContact CG-CD1 3.71Å; I509-L640 HydrophobicContact CD1-CD1 3.77Å; F636-L640 WeakPolarHBondContact O-CB 3.26Å; F636-L640 PolarHBondContact O-N 2.87Å; I637-L640 PolarHBondContact O-N 2.8Å; L640-Y643 PolarHBondContact O-N 3.49Å; L640-L644 PolarHBondContact O-N 3.17Å
641	M	92.5	Very high	92	Very high	73 Å²	73	32.9 Å²	32.9	36%	0.36	18%	0.176	S	C	.	.	H	α-helix	trans	-63.7	-45	178	-70.7	-59.9	114.9	0	0	111.5	I637 S638 Y643 L644 L645	I637-M641 HydrophobicContact CG2-CG 4.25Å; I637-M641 WeakPolarHBondContact O-CB 3.37Å; I637-M641 VanDerWaalsContact O-CG 3.31Å; I637-M641 WeakPolarHBondContact O-CG 3.41Å; I637-M641 PolarHBondContact O-N 3.26Å; S638-M641 PolarHBondContact O-N 3.4Å; M641-Y643 VanDerWaalsContact C-N 3.25Å; M641-Y643 PolarHBondContact O-N 2.88Å; M641-L644 PolarHBondContact O-N 2.73Å; M641-L645 WeakPolarHBondContact O-CB 3.2Å; M641-L645 VanDerWaalsContact O-CG 3.28Å; M641-L645 WeakPolarHBondContact O-CG 3.16Å; M641-L645 PolarHBondContact O-N 2.75Å
642	L	91.6	Very high	91.9	Very high	40 Å²	40	36.9 Å²	36.9	21%	0.209	20%	0.198	C	C	.	.	H	α-helix	trans	-58.1	-40.4	173	-78.1	177.8	0	0	0	111.8	V608 L612 S638 N639 L645 F646	V608-L642 HydrophobicContact CG1-CD2 4.27Å; L612-L642 HydrophobicContact CB-CD1 4.38Å; L612-L642 HydrophobicContact CD2-CD1 3.49Å; L612-L642 VanDerWaalsContact CD2-CD1 3.49Å; L612-L642 HydrophobicContact CD2-CG 4.15Å; S638-L642 WeakPolarHBondContact O-CB 3.38Å; S638-L642 WeakPolarHBondContact O-CG 3.49Å; S638-L642 PolarHBondContact O-N 3.44Å; N639-L642 PolarHBondContact O-N 3.21Å; L642-L645 PolarHBondContact O-N 3.48Å; L642-F646 WeakPolarHBondContact O-CB 3.3Å; L642-F646 PolarHBondContact O-N 2.66Å
643	Y	91.1	Very high	91.8	Very high	27 Å²	27	43.6 Å²	43.6	11%	0.106	22%	0.223	C	C	.	.	H	α-helix	trans	-71.1	-39.3	-178.8	-168	-160.8	0	0	0	112.4	M506 I509 Y510 F565 N639 L640 M641 F646 Y647	M506-Y643 HydrophobicContact CB-CD1 4.25Å; M506-Y643 HydrophobicContact CG-CD1 4.28Å; M506-Y643 WeakPolarHBondContact O-CE1 3.19Å; I509-Y643 HydrophobicContact CB-CD1 4.02Å; I509-Y643 HydrophobicContact CB-CE1 3.8Å; I509-Y643 HydrophobicContact CD1-CD1 4.36Å; I509-Y643 HydrophobicContact CG2-CD1 3.86Å; I509-Y643 HydrophobicContact CG2-CD2 4.09Å; I509-Y643 HydrophobicContact CG2-CE1 3.64Å; I509-Y643 HydrophobicContact CG2-CE2 3.86Å; I509-Y643 HydrophobicContact CG2-CG 4.08Å; Y510-Y643 WeakPolarHBondContact CA-OH 3.23Å; Y510-Y643 VanDerWaalsContact CB-OH 3.29Å; Y510-Y643 WeakPolarHBondContact CB-OH 3.03Å; Y510-Y643 VanDerWaalsContact CD2-OH 3.29Å; Y510-Y643 WeakPolarHBondContact CD2-OH 3.48Å; Y510-Y643 PolarHBondContact N-OH 2.83Å; F565-Y643 HydrophobicContact CE1-CE1 4.36Å; F565-Y643 HydrophobicContact CE1-CE2 4.22Å; F565-Y643 AromaticContact CE1-CZ 3.94Å; F565-Y643 HydrophobicContact CZ-CE1 4.45Å; N639-Y643 WeakPolarHBondContact O-CB 3.43Å; N639-Y643 PolarHBondContact O-N 3.5Å; L640-Y643 PolarHBondContact O-N 3.49Å; M641-Y643 VanDerWaalsContact C-N 3.25Å; M641-Y643 PolarHBondContact O-N 2.88Å; Y643-F646 HydrophobicContact CD2-CB 4.46Å; Y643-F646 AromaticContact CD2-CD1 3.85Å; Y643-F646 HydrophobicContact CD2-CD1 3.85Å; Y643-F646 AromaticContact CE2-CD1 3.79Å; Y643-F646 HydrophobicContact CE2-CD1 3.79Å; Y643-F646 HydrophobicContact CE2-CE1 4.24Å; Y643-F646 WeakPolarHBondContact O-CB 3.39Å; Y643-F646 PolarHBondContact O-N 2.7Å; Y643-Y647 PolarHBondContact O-N 2.94Å
644	L	91.8	Very high	91.5	Very high	39 Å²	39	47 Å²	47	20%	0.204	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-42.2	171.8	-178.5	64.5	0	0	0	111.5	I509 L640 M641 Y647 V648 L728	I509-L644 HydrophobicContact CD1-CB 4.19Å; I509-L644 HydrophobicContact CD1-CD1 4.37Å; L640-L644 PolarHBondContact O-N 3.17Å; M641-L644 PolarHBondContact O-N 2.73Å; L644-Y647 WeakPolarHBondContact O-CB 3.49Å; L644-Y647 PolarHBondContact O-N 2.87Å; L644-V648 WeakPolarHBondContact O-CG2 3.21Å; L644-V648 PolarHBondContact O-N 3.13Å; L644-L728 HydrophobicContact CD1-CD2 4.12Å
645	L	91.3	Very high	91.2	Very high	104 Å²	104	54.6 Å²	54.6	55%	0.545	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-42	175.5	-74.2	171.3	0	0	0	112.1	M641 L642 Y647 S649	M641-L645 WeakPolarHBondContact O-CB 3.2Å; M641-L645 VanDerWaalsContact O-CG 3.28Å; M641-L645 WeakPolarHBondContact O-CG 3.16Å; M641-L645 PolarHBondContact O-N 2.75Å; L642-L645 PolarHBondContact O-N 3.48Å; L645-Y647 VanDerWaalsContact C-N 3.34Å; L645-S649 VanDerWaalsContact O-CB 3.25Å; L645-S649 WeakPolarHBondContact O-CB 3.21Å; L645-S649 PolarHBondContact O-N 3.2Å; L645-S649 PolarHBondContact O-OG 2.63Å
646	F	90.7	Very high	90.9	Very high	24 Å²	24	55.1 Å²	55.1	11%	0.105	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-48.1	172.6	168	-103.5	0	0	0	110.9	R602 F605 L642 Y643 V648 S649 M650 F746	R602-F646 HydrophobicContact CG-CE2 4.44Å; R602-F646 HydrophobicContact CG-CZ 4.3Å; F605-F646 HydrophobicContact CB-CD2 3.71Å; F605-F646 HydrophobicContact CB-CE2 4.34Å; F605-F646 HydrophobicContact CD1-CB 3.96Å; F605-F646 HydrophobicContact CD1-CD2 4.04Å; F605-F646 AromaticContact CD2-CD2 3.52Å; F605-F646 HydrophobicContact CD2-CD2 3.52Å; F605-F646 HydrophobicContact CD2-CE2 4.06Å; F605-F646 HydrophobicContact CE1-CB 4.34Å; F605-F646 HydrophobicContact CE2-CD2 4.11Å; F605-F646 HydrophobicContact CG-CB 4.26Å; F605-F646 AromaticContact CG-CD2 3.49Å; F605-F646 HydrophobicContact CG-CD2 3.49Å; F605-F646 VanDerWaalsContact CG-CD2 3.49Å; F605-F646 HydrophobicContact CG-CE2 4.32Å; F605-F646 HydrophobicContact CG-CG 4.34Å; L642-F646 WeakPolarHBondContact O-CB 3.3Å; L642-F646 PolarHBondContact O-N 2.66Å; Y643-F646 HydrophobicContact CD2-CB 4.46Å; Y643-F646 AromaticContact CD2-CD1 3.85Å; Y643-F646 HydrophobicContact CD2-CD1 3.85Å; Y643-F646 AromaticContact CE2-CD1 3.79Å; Y643-F646 HydrophobicContact CE2-CD1 3.79Å; Y643-F646 HydrophobicContact CE2-CE1 4.24Å; Y643-F646 WeakPolarHBondContact O-CB 3.39Å; Y643-F646 PolarHBondContact O-N 2.7Å; F646-V648 PolarHBondContact O-N 3.14Å; F646-S649 PolarHBondContact O-N 3.2Å; F646-M650 HydrophobicContact CD2-CG 3.86Å; F646-M650 HydrophobicContact CE1-CG 4.21Å; F646-M650 HydrophobicContact CE2-CG 3.45Å; F646-M650 VanDerWaalsContact CE2-CG 3.45Å; F646-M650 HydrophobicContact CE2-SD 3.99Å; F646-M650 HydrophobicContact CG-CG 4.43Å; F646-M650 HydrophobicContact CZ-CG 3.65Å; F646-M650 HydrophobicContact CZ-SD 4.45Å; F646-M650 WeakPolarHBondContact O-CB 3.34Å; F646-M650 WeakPolarHBondContact O-CG 3.21Å; F646-M650 PolarHBondContact O-N 2.65Å; F646-F746 HydrophobicContact CE1-CD2 4.09Å; F646-F746 HydrophobicContact CZ-CD2 4.39Å
647	Y	91.4	Very high	90.6	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-57.5	-52.2	179.7	-171	-85.7	0	0	0	112	I509 I512 R513 Y643 L644 L645 S649 M650 K651 I731 D732 F746	I509-Y647 HydrophobicContact CG2-CD2 3.73Å; I509-Y647 HydrophobicContact CG2-CG 4.1Å; I512-Y647 HydrophobicContact CB-CE2 4.33Å; I512-Y647 HydrophobicContact CG2-CE2 3.99Å; I512-Y647 WeakPolarHBondContact CG2-OH 3.48Å; R513-Y647 HydrophobicContact CG-CE2 3.82Å; R513-Y647 PolarHBondContact NE-OH 2.69Å; R513-Y647 PolarHBondContact NH2-OH 2.85Å; R513-Y647 VanDerWaalsContact NH2-OH 3.11Å; Y643-Y647 PolarHBondContact O-N 2.94Å; L644-Y647 WeakPolarHBondContact O-CB 3.49Å; L644-Y647 PolarHBondContact O-N 2.87Å; L645-Y647 VanDerWaalsContact C-N 3.34Å; Y647-S649 VanDerWaalsContact C-N 3.34Å; Y647-S649 PolarHBondContact O-N 3Å; Y647-M650 PolarHBondContact O-N 2.65Å; Y647-K651 WeakPolarHBondContact O-CB 3Å; Y647-K651 PolarHBondContact O-N 2.5Å; Y647-I731 HydrophobicContact CD1-CD1 3.53Å; Y647-I731 HydrophobicContact CD1-CG1 4.36Å; Y647-I731 HydrophobicContact CE1-CD1 3.6Å; Y647-I731 HydrophobicContact CE1-CG1 3.94Å; Y647-I731 HydrophobicContact CE1-CG2 4.25Å; Y647-D732 PolarHBondContact OH-OD1 3.49Å; Y647-D732 PolarHBondContact OH-OD2 3.15Å; Y647-F746 AromaticContact CD2-CE2 3.62Å; Y647-F746 HydrophobicContact CD2-CE2 3.62Å; Y647-F746 HydrophobicContact CD2-CZ 4.09Å; Y647-F746 AromaticContact CE2-CE2 3.76Å; Y647-F746 HydrophobicContact CE2-CE2 3.76Å; Y647-F746 AromaticContact CE2-CZ 3.85Å; Y647-F746 HydrophobicContact CE2-CZ 3.85Å; Y647-F746 HydrophobicContact CG-CE2 4.19Å
648	V	90.9	Very high	90.3	Very high	38 Å²	38	60.2 Å²	60.2	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-41.2	179	174.3	0	0	0	0	111.3	L644 F646 K651 L652 L658 I731	L644-V648 WeakPolarHBondContact O-CG2 3.21Å; L644-V648 PolarHBondContact O-N 3.13Å; F646-V648 PolarHBondContact O-N 3.14Å; V648-K651 WeakPolarHBondContact O-CB 3.03Å; V648-K651 PolarHBondContact O-N 2.8Å; V648-L652 HydrophobicContact CG1-CD1 4.19Å; V648-L652 WeakPolarHBondContact O-CG 3.44Å; V648-L652 PolarHBondContact O-N 2.67Å; V648-L658 HydrophobicContact CG1-CD1 4.07Å; V648-I731 HydrophobicContact CG2-CD1 4.2Å
649	S	89.7	Confident	89.8	Confident	46 Å²	46	60.3 Å²	60.3	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-65	-41.8	179.4	-59.9	0	0	0	0	112.3	F605 L645 F646 Y647 K651 L652 R653	F605-S649 VanDerWaalsContact CZ-CB 3.43Å; L645-S649 VanDerWaalsContact O-CB 3.25Å; L645-S649 WeakPolarHBondContact O-CB 3.21Å; L645-S649 PolarHBondContact O-N 3.2Å; L645-S649 PolarHBondContact O-OG 2.63Å; F646-S649 PolarHBondContact O-N 3.2Å; Y647-S649 VanDerWaalsContact C-N 3.34Å; Y647-S649 PolarHBondContact O-N 3Å; S649-K651 VanDerWaalsContact C-N 3.34Å; S649-L652 PolarHBondContact O-N 2.74Å; S649-R653 WeakPolarHBondContact O-CB 3.42Å; S649-R653 PolarHBondContact O-N 3.44Å
650	M	88.2	Confident	89.5	Confident	7 Å²	7	60.6 Å²	60.6	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-66.9	-37.4	176.6	-71.5	-58.6	-78.5	0	0	111.7	D601 F646 Y647 R653 H654 F746	D601-M650 HydrophobicContact CB-CE 4.14Å; D601-M650 HydrophobicContact CB-SD 4.03Å; F646-M650 HydrophobicContact CD2-CG 3.86Å; F646-M650 HydrophobicContact CE1-CG 4.21Å; F646-M650 HydrophobicContact CE2-CG 3.45Å; F646-M650 VanDerWaalsContact CE2-CG 3.45Å; F646-M650 HydrophobicContact CE2-SD 3.99Å; F646-M650 HydrophobicContact CG-CG 4.43Å; F646-M650 HydrophobicContact CZ-CG 3.65Å; F646-M650 HydrophobicContact CZ-SD 4.45Å; F646-M650 WeakPolarHBondContact O-CB 3.34Å; F646-M650 WeakPolarHBondContact O-CG 3.21Å; F646-M650 PolarHBondContact O-N 2.65Å; Y647-M650 PolarHBondContact O-N 2.65Å; M650-R653 PolarHBondContact O-N 3.36Å; M650-H654 PolarHBondContact O-N 3.24Å; M650-H654 PolarHBondContact O-ND1 3.14Å; M650-F746 HydrophobicContact CB-CB 4.21Å; M650-F746 HydrophobicContact CB-CD1 3.87Å; M650-F746 HydrophobicContact CB-CD2 3.45Å; M650-F746 VanDerWaalsContact CB-CD2 3.45Å; M650-F746 HydrophobicContact CB-CE1 4Å; M650-F746 HydrophobicContact CB-CE2 3.61Å; M650-F746 HydrophobicContact CB-CG 3.58Å; M650-F746 HydrophobicContact CB-CZ 3.87Å; M650-F746 HydrophobicContact CE-CB 3.37Å; M650-F746 HydrophobicContact CE-CG 4.08Å; M650-F746 HydrophobicContact CG-CB 4.23Å; M650-F746 HydrophobicContact CG-CD2 3.86Å; M650-F746 HydrophobicContact CG-CE2 4.39Å; M650-F746 HydrophobicContact CG-CG 4.06Å
651	K	91.1	Very high	89.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-53.2	173.3	-169.8	161.5	-173.8	154	0	111.6	Y647 V648 S649 R653 H654 R655 E656 L658 I731 D732 D734	Y647-K651 WeakPolarHBondContact O-CB 3Å; Y647-K651 PolarHBondContact O-N 2.5Å; V648-K651 WeakPolarHBondContact O-CB 3.03Å; V648-K651 PolarHBondContact O-N 2.8Å; S649-K651 VanDerWaalsContact C-N 3.34Å; K651-R653 VanDerWaalsContact C-N 3.31Å; K651-R653 PolarHBondContact O-N 2.89Å; K651-H654 PolarHBondContact O-N 3.24Å; K651-R655 PolarHBondContact O-N 3.19Å; K651-E656 HydrophobicContact CD-CB 4.34Å; K651-E656 HydrophobicContact CG-CB 3.51Å; K651-E656 HydrophobicContact CG-CG 4.49Å; K651-E656 WeakPolarHBondContact CG-OE2 3.17Å; K651-E656 WeakPolarHBondContact O-CB 3.28Å; K651-E656 PolarHBondContact O-N 2.74Å; K651-L658 HydrophobicContact CD-CD2 3.98Å; K651-I731 PolarHBondContact NZ-O 2.96Å; K651-D732 IonicContact NZ-OD1 2.69Å; K651-D732 PolarHBondContact NZ-OD1 2.66Å; K651-D734 WeakPolarHBondContact CE-OD2 3.34Å; K651-D734 IonicContact NZ-OD1 3.26Å; K651-D734 PolarHBondContact NZ-OD1 2.99Å; K651-D734 IonicContact NZ-OD2 3.47Å; K651-D734 PolarHBondContact NZ-OD2 2.84Å
652	L	90.1	Very high	89.3	Confident	99 Å²	99	57.6 Å²	57.6	52%	0.518	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-39.2	177.6	-66.6	174.3	0	0	0	112.4	V648 S649 H654 R655 L658	V648-L652 HydrophobicContact CG1-CD1 4.19Å; V648-L652 WeakPolarHBondContact O-CG 3.44Å; V648-L652 PolarHBondContact O-N 2.67Å; S649-L652 PolarHBondContact O-N 2.74Å; L652-H654 PolarHBondContact O-N 3.36Å; L652-R655 PolarHBondContact O-N 2.84Å; L652-R655 VanDerWaalsContact O-N 3.11Å; L652-L658 HydrophobicContact CD2-CD1 4.32Å; L652-L658 HydrophobicContact CD2-CG 4.28Å
653	R	89.4	Confident	89.3	Confident	151 Å²	151	60.9 Å²	60.9	57%	0.57	30%	0.299	S	S	*	.	H	α-helix	trans	-64.8	-37.2	178.7	-177.3	172.4	-178.8	160.4	-10.1	113.1	D601 S649 M650 K651 R655	D601-R653 IonicContact OD1-CZ 2.89Å; D601-R653 IonicContact OD1-NE 3.95Å; D601-R653 IonicContact OD1-NH1 2.66Å; D601-R653 PolarHBondContact OD1-NH1 3.2Å; D601-R653 IonicContact OD1-NH2 2.66Å; D601-R653 PolarHBondContact OD1-NH2 3.12Å; D601-R653 IonicContact OD2-CZ 2.88Å; D601-R653 IonicContact OD2-NE 3.21Å; D601-R653 PolarHBondContact OD2-NE 2.83Å; D601-R653 IonicContact OD2-NH1 3.2Å; D601-R653 PolarHBondContact OD2-NH1 3.31Å; D601-R653 IonicContact OD2-NH2 2.99Å; D601-R653 PolarHBondContact OD2-NH2 3.06Å; S649-R653 WeakPolarHBondContact O-CB 3.42Å; S649-R653 PolarHBondContact O-N 3.44Å; M650-R653 PolarHBondContact O-N 3.36Å; K651-R653 VanDerWaalsContact C-N 3.31Å; K651-R653 PolarHBondContact O-N 2.89Å; R653-R655 PolarHBondContact O-N 2.86Å
654	H	86.8	Confident	89.4	Confident	78 Å²	78	63.1 Å²	63.1	36%	0.361	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	11	175.7	-69.2	87.5	0	0	0	113.1	M650 K651 L652 E656 P744	M650-H654 PolarHBondContact O-N 3.24Å; M650-H654 PolarHBondContact O-ND1 3.14Å; K651-H654 PolarHBondContact O-N 3.24Å; L652-H654 PolarHBondContact O-N 3.36Å; H654-E656 HydrophobicContact CB-CG 4.38Å; H654-E656 PolarHBondContact O-N 2.84Å; H654-P744 HydrophobicContact CB-CG 3.88Å
655	R	86.5	Confident	89.6	Confident	221 Å²	221	61.6 Å²	61.6	83%	0.834	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	24.8	-178.4	-55.3	-179.4	175.6	171.1	-1.6	113.5	K651 L652 R653	K651-R655 PolarHBondContact O-N 3.19Å; L652-R655 PolarHBondContact O-N 2.84Å; L652-R655 VanDerWaalsContact O-N 3.11Å; R653-R655 PolarHBondContact O-N 2.86Å
656	E	88.4	Confident	89.7	Confident	18 Å²	18	58 Å²	58	8%	0.084	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-81.2	135.1	168.4	-61.8	180	-177	0	0	108.6	R513 K651 H654 L735 P744	R513-E656 IonicContact CZ-OE1 2.71Å; R513-E656 IonicContact CZ-OE2 2.85Å; R513-E656 IonicContact NH1-OE1 3.13Å; R513-E656 PolarHBondContact NH1-OE1 3.24Å; R513-E656 IonicContact NH1-OE2 3.06Å; R513-E656 PolarHBondContact NH1-OE2 3.2Å; R513-E656 IonicContact NH2-OE1 2.78Å; R513-E656 IonicContact NH2-OE2 2.7Å; R513-E656 PolarHBondContact NH2-OE2 3.46Å; K651-E656 HydrophobicContact CD-CB 4.34Å; K651-E656 HydrophobicContact CG-CB 3.51Å; K651-E656 HydrophobicContact CG-CG 4.49Å; K651-E656 WeakPolarHBondContact CG-OE2 3.17Å; K651-E656 WeakPolarHBondContact O-CB 3.28Å; K651-E656 PolarHBondContact O-N 2.74Å; H654-E656 HydrophobicContact CB-CG 4.38Å; H654-E656 PolarHBondContact O-N 2.84Å; E656-L735 HydrophobicContact CG-CD2 4.22Å; E656-P744 WeakPolarHBondContact OE1-CD 3.13Å
657	H	86.4	Confident	89.8	Confident	147 Å²	147	60.7 Å²	60.7	68%	0.681	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-92	140.8	-172.2	-69.1	-72.8	0	0	0	111.6	N659 D734	H657-N659 PolarHBondContact O-N 2.71Å; H657-D734 VanDerWaalsContact O-CG 3.25Å
658	L	86.6	Confident	90	Very high	57 Å²	57	64.9 Å²	64.9	30%	0.298	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-76.7	118.5	167.2	-62.3	176.1	0	0	0	109.1	V648 K651 L652 V662	V648-L658 HydrophobicContact CG1-CD1 4.07Å; K651-L658 HydrophobicContact CD-CD2 3.98Å; L652-L658 HydrophobicContact CD2-CD1 4.32Å; L652-L658 HydrophobicContact CD2-CG 4.28Å; L658-V662 HydrophobicContact CD2-CG1 4.36Å
659	N	84.6	Confident	90.3	Very high	31 Å²	31	63.4 Å²	63.4	17%	0.166	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-55.8	146.4	174.4	-85.8	-26.5	0	0	0	111.4	H657 R661 V662 L663 D733 D734	H657-N659 PolarHBondContact O-N 2.71Å; N659-R661 PolarHBondContact O-N 2.03Å; N659-V662 HydrophobicContact CB-CG2 4.15Å; N659-V662 WeakPolarHBondContact O-CA 3.23Å; N659-V662 WeakPolarHBondContact O-CB 3.43Å; N659-V662 PolarHBondContact O-N 3.45Å; N659-L663 PolarHBondContact O-N 2.63Å; N659-L663 VanDerWaalsContact O-N 3.11Å; N659-D733 VanDerWaalsContact ND2-C 3.3Å; N659-D733 WeakPolarHBondContact ND2-CB 3.37Å; N659-D734 WeakPolarHBondContact ND2-CA 3.34Å; N659-D734 PolarHBondContact ND2-N 3.33Å
660	G	86.5	Confident	90.5	Very high	48 Å²	48	63.4 Å²	63.4	50%	0.495	34%	0.335	S	S	.	.	H	α-helix	trans	-54.8	-29	177.4	0	0	0	0	0	113.7	L663 V664	G660-L663 PolarHBondContact O-N 3.36Å; G660-V664 WeakPolarHBondContact O-CG2 3.27Å; G660-V664 PolarHBondContact O-N 3.26Å
661	R	89.6	Confident	90.9	Very high	20 Å²	20	68.2 Å²	68.2	8%	0.075	36%	0.36	C	S	.	.	H	α-helix	trans	-60.3	-49.7	171.2	-67.2	175.5	-160.8	-170.2	-4.8	112.5	F286 D290 N659 L663 V664 I665	F286-R661 VanDerWaalsContact CB-NH2 3.27Å; F286-R661 HydrophobicContact CD1-CG 3.37Å; F286-R661 HydrophobicContact CD2-CG 3.96Å; F286-R661 HydrophobicContact CE1-CG 3.31Å; F286-R661 HydrophobicContact CE2-CG 3.99Å; F286-R661 HydrophobicContact CG-CG 3.68Å; F286-R661 VanDerWaalsContact CG-NE 3.26Å; F286-R661 HydrophobicContact CZ-CG 3.65Å; F286-R661 PolarHBondContact O-NH2 3.14Å; D290-R661 VanDerWaalsContact CG-CZ 3.45Å; D290-R661 IonicContact OD1-CZ 3.17Å; D290-R661 IonicContact OD1-NH1 2.65Å; D290-R661 IonicContact OD1-NH2 2.69Å; D290-R661 PolarHBondContact OD1-NH2 2.86Å; D290-R661 IonicContact OD2-CZ 3.35Å; D290-R661 IonicContact OD2-NH1 3.06Å; D290-R661 PolarHBondContact OD2-NH1 3.28Å; D290-R661 IonicContact OD2-NH2 2.81Å; D290-R661 PolarHBondContact OD2-NH2 2.84Å; N659-R661 PolarHBondContact O-N 2.03Å; R661-L663 PolarHBondContact O-N 3.23Å; R661-V664 PolarHBondContact O-N 3.06Å; R661-I665 WeakPolarHBondContact O-CB 3.31Å; R661-I665 VanDerWaalsContact O-CG1 3.24Å; R661-I665 WeakPolarHBondContact O-CG1 3.4Å; R661-I665 PolarHBondContact O-N 2.87Å
662	V	92.2	Very high	91.1	Very high	10 Å²	10	68.8 Å²	68.8	6%	0.061	36%	0.364	C	S	.	.	H	α-helix	trans	-63.2	-38.7	-178.8	-178.4	0	0	0	0	109.3	L658 N659 G666 I727 V730	L658-V662 HydrophobicContact CD2-CG1 4.36Å; N659-V662 HydrophobicContact CB-CG2 4.15Å; N659-V662 WeakPolarHBondContact O-CA 3.23Å; N659-V662 WeakPolarHBondContact O-CB 3.43Å; N659-V662 PolarHBondContact O-N 3.45Å; V662-G666 WeakPolarHBondContact O-CA 3.45Å; V662-G666 PolarHBondContact O-N 2.77Å; V662-I727 HydrophobicContact CG1-CG2 4.35Å; V662-V730 HydrophobicContact CG2-CB 4.49Å; V662-V730 HydrophobicContact CG2-CG2 3.76Å; V662-V730 WeakPolarHBondContact CG2-O 3.31Å
663	L	92.5	Very high	91.3	Very high	109 Å²	109	67.9 Å²	67.9	57%	0.571	35%	0.353	S	S	*	.	H	α-helix	trans	-64.4	-48.5	175.2	-172.5	66.5	0	0	0	111.9	N659 G660 R661 G666 T667	N659-L663 PolarHBondContact O-N 2.63Å; N659-L663 VanDerWaalsContact O-N 3.11Å; G660-L663 PolarHBondContact O-N 3.36Å; R661-L663 PolarHBondContact O-N 3.23Å; L663-G666 PolarHBondContact O-N 3.01Å; L663-T667 HydrophobicContact CD1-CG2 4.42Å; L663-T667 VanDerWaalsContact O-CG2 3.26Å; L663-T667 WeakPolarHBondContact O-CG2 3.47Å; L663-T667 PolarHBondContact O-N 2.94Å; L663-T667 PolarHBondContact O-OG1 3.42Å
664	V	93.2	Very high	91.6	Very high	75 Å²	75	62.7 Å²	62.7	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-49.8	178.5	171.9	0	0	0	0	111.2	F282 G660 R661 G666 T667 L668	F282-V664 HydrophobicContact CE2-CG1 4.03Å; G660-V664 WeakPolarHBondContact O-CG2 3.27Å; G660-V664 PolarHBondContact O-N 3.26Å; R661-V664 PolarHBondContact O-N 3.06Å; V664-G666 VanDerWaalsContact C-N 3.34Å; V664-G666 PolarHBondContact O-N 3.15Å; V664-T667 PolarHBondContact O-N 2.87Å; V664-T667 PolarHBondContact O-OG1 2.04Å; V664-L668 PolarHBondContact O-N 2.91Å; V664-L668 VanDerWaalsContact O-N 3.11Å
665	I	94.9	Very high	92	Very high	7 Å²	7	65 Å²	65	4%	0.036	36%	0.356	C	S	.	.	H	α-helix	trans	-65	-40.4	179.2	-60.1	165.8	0	0	0	110.6	F282 R661 L668 S669 L723 L726 I727 V730	F282-I665 HydrophobicContact CE1-CD1 3.98Å; F282-I665 HydrophobicContact CE1-CG1 4.24Å; F282-I665 HydrophobicContact CZ-CD1 4.02Å; F282-I665 HydrophobicContact CZ-CG1 3.87Å; R661-I665 WeakPolarHBondContact O-CB 3.31Å; R661-I665 VanDerWaalsContact O-CG1 3.24Å; R661-I665 WeakPolarHBondContact O-CG1 3.4Å; R661-I665 PolarHBondContact O-N 2.87Å; I665-L668 PolarHBondContact O-N 3.39Å; I665-S669 VanDerWaalsContact O-CB 3.26Å; I665-S669 WeakPolarHBondContact O-CB 3.24Å; I665-S669 PolarHBondContact O-N 3.47Å; I665-L723 HydrophobicContact CG2-CB 4.21Å; I665-L723 HydrophobicContact CG2-CD2 4.03Å; I665-L723 WeakPolarHBondContact CG2-O 3.16Å; I665-L726 HydrophobicContact CD1-CB 4.31Å; I665-L726 HydrophobicContact CG2-CB 4.03Å; I665-I727 HydrophobicContact CB-CG1 4.27Å; I665-I727 HydrophobicContact CG2-CD1 4.4Å; I665-I727 HydrophobicContact CG2-CG1 3.65Å; I665-V730 HydrophobicContact CD1-CG2 3.96Å
666	G	93	Very high	92.4	Very high	27 Å²	27	54.5 Å²	54.5	28%	0.278	32%	0.317	S	S	.	.	H	α-helix	trans	-62.3	-44.2	178	0	0	0	0	0	113.2	V662 L663 V664 S669 G670	V662-G666 WeakPolarHBondContact O-CA 3.45Å; V662-G666 PolarHBondContact O-N 2.77Å; L663-G666 PolarHBondContact O-N 3.01Å; V664-G666 VanDerWaalsContact C-N 3.34Å; V664-G666 PolarHBondContact O-N 3.15Å; G666-S669 PolarHBondContact O-N 2.87Å; G666-G670 PolarHBondContact O-N 3.03Å
667	T	94.8	Very high	92.6	Very high	81 Å²	81	58.3 Å²	58.3	50%	0.497	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-44.6	175.4	57.1	0	0	0	0	111.6	L663 V664 S669 G670 L671	L663-T667 HydrophobicContact CD1-CG2 4.42Å; L663-T667 VanDerWaalsContact O-CG2 3.26Å; L663-T667 WeakPolarHBondContact O-CG2 3.47Å; L663-T667 PolarHBondContact O-N 2.94Å; L663-T667 PolarHBondContact O-OG1 3.42Å; V664-T667 PolarHBondContact O-N 2.87Å; V664-T667 PolarHBondContact O-OG1 2.04Å; T667-S669 VanDerWaalsContact C-N 3.34Å; T667-S669 PolarHBondContact O-N 2.94Å; T667-G670 PolarHBondContact O-N 3.41Å; T667-L671 WeakPolarHBondContact O-CG 3.4Å; T667-L671 PolarHBondContact O-N 2.91Å
668	L	95.5	Very high	93	Very high	93 Å²	93	57.8 Å²	57.8	49%	0.487	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-41.5	176.8	-173.2	62.5	0	0	0	111.7	V664 I665 L671 S672 L723	V664-L668 PolarHBondContact O-N 2.91Å; V664-L668 VanDerWaalsContact O-N 3.11Å; I665-L668 PolarHBondContact O-N 3.39Å; L668-L671 PolarHBondContact O-N 3.14Å; L668-S672 WeakPolarHBondContact O-CB 3.35Å; L668-S672 PolarHBondContact O-N 2.97Å; L668-S672 PolarHBondContact O-OG 3.37Å; L668-L723 HydrophobicContact CB-CD1 4.16Å; L668-L723 HydrophobicContact CD2-CD1 3.81Å; L668-L723 HydrophobicContact CD2-CD2 3.84Å; L668-L723 HydrophobicContact CG-CD1 3.59Å; L668-L723 HydrophobicContact CG-CD2 4.43Å
669	S	95.5	Very high	93.4	Very high	6 Å²	6	57 Å²	57	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-42.9	176.6	-176.7	0	0	0	0	112.1	I665 G666 T667 S672 W673 S724	I665-S669 VanDerWaalsContact O-CB 3.26Å; I665-S669 WeakPolarHBondContact O-CB 3.24Å; I665-S669 PolarHBondContact O-N 3.47Å; G666-S669 PolarHBondContact O-N 2.87Å; T667-S669 VanDerWaalsContact C-N 3.34Å; T667-S669 PolarHBondContact O-N 2.94Å; S669-S672 WeakPolarHBondContact CA-OG 3.44Å; S669-S672 PolarHBondContact O-N 2.79Å; S669-S672 PolarHBondContact O-OG 3.39Å; S669-W673 WeakPolarHBondContact O-CB 3.45Å; S669-W673 VanDerWaalsContact O-CD1 3.25Å; S669-W673 PolarHBondContact O-N 3.06Å; S669-S724 PolarHBondContact OG-OG 2.91Å
670	G	94.4	Very high	93.6	Very high	47 Å²	47	59.2 Å²	59.2	49%	0.485	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-42.4	176.8	0	0	0	0	0	112.5	G666 T667 G674	G666-G670 PolarHBondContact O-N 3.03Å; T667-G670 PolarHBondContact O-N 3.41Å; G670-G674 PolarHBondContact O-N 3.11Å
671	L	96.1	Very high	93.8	Very high	108 Å²	108	62.7 Å²	62.7	57%	0.565	34%	0.342	S	S	*	.	H	α-helix	trans	-64	-47.8	175	-69.8	173.9	0	0	0	111.4	T667 L668 W673 G674 F675	T667-L671 WeakPolarHBondContact O-CG 3.4Å; T667-L671 PolarHBondContact O-N 2.91Å; L668-L671 PolarHBondContact O-N 3.14Å; L671-W673 PolarHBondContact O-N 2.84Å; L671-G674 PolarHBondContact O-N 3.36Å; L671-F675 WeakPolarHBondContact O-CD2 3.48Å; L671-F675 PolarHBondContact O-N 3.35Å; L671-F675 VanDerWaalsContact O-N 3.07Å
672	S	95.7	Very high	93.8	Very high	11 Å²	11	65.1 Å²	65.1	8%	0.077	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-39.7	-178.4	70.8	0	0	0	0	112	L668 S669 F675 S676 S720	L668-S672 WeakPolarHBondContact O-CB 3.35Å; L668-S672 PolarHBondContact O-N 2.97Å; L668-S672 PolarHBondContact O-OG 3.37Å; S669-S672 WeakPolarHBondContact CA-OG 3.44Å; S669-S672 PolarHBondContact O-N 2.79Å; S669-S672 PolarHBondContact O-OG 3.39Å; S672-F675 PolarHBondContact O-N 3.03Å; S672-S676 VanDerWaalsContact O-CB 3.27Å; S672-S676 WeakPolarHBondContact O-CB 3.12Å; S672-S676 PolarHBondContact O-N 2.82Å; S672-S720 WeakPolarHBondContact CB-OG 3.25Å; S672-S720 PolarHBondContact O-OG 3.23Å; S672-S720 WeakPolarHBondContact OG-CA 3.34Å; S672-S720 WeakPolarHBondContact OG-CB 3.23Å; S672-S720 PolarHBondContact OG-OG 2.97Å
673	W	95.7	Very high	93.4	Very high	80 Å²	80	70.5 Å²	70.5	30%	0.303	38%	0.38	S	S	.	.	H	α-helix	trans	-64.4	-38.4	173.4	-87.2	121.2	0	0	0	112.4	S669 L671 S676 L677 S720 M721 S724	S669-W673 WeakPolarHBondContact O-CB 3.45Å; S669-W673 VanDerWaalsContact O-CD1 3.25Å; S669-W673 PolarHBondContact O-N 3.06Å; L671-W673 PolarHBondContact O-N 2.84Å; W673-S676 PolarHBondContact O-N 3.35Å; W673-L677 WeakPolarHBondContact O-CB 3.47Å; W673-L677 PolarHBondContact O-N 2.81Å; W673-S720 VanDerWaalsContact CD2-CB 3.49Å; W673-S720 VanDerWaalsContact CE2-CB 3.47Å; W673-S720 PolarHBondContact N-OG 2.94Å; W673-M721 HydrophobicContact CH2-CG 4.04Å; W673-M721 HydrophobicContact CH2-SD 3.69Å; W673-M721 HydrophobicContact CZ2-CG 3.99Å; W673-M721 HydrophobicContact CZ2-SD 3.42Å; W673-M721 WeakPolarHBondContact CZ2-SD 3.47Å; W673-S724 PolarHBondContact NE1-OG 3.32Å
674	G	94.8	Very high	93	Very high	43 Å²	43	66.4 Å²	66.4	44%	0.443	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-47.2	175.4	0	0	0	0	0	112.4	G670 L671 L677 F678	G670-G674 PolarHBondContact O-N 3.11Å; L671-G674 PolarHBondContact O-N 3.36Å; G674-L677 PolarHBondContact O-N 2.81Å; G674-F678 PolarHBondContact O-N 2.78Å; G674-F678 VanDerWaalsContact O-N 3.17Å
675	F	95.4	Very high	92.7	Very high	125 Å²	125	64 Å²	64	55%	0.548	34%	0.342	S	S	.	.	H	α-helix	trans	-67.4	-40.4	174.7	-71.7	-68	0	0	0	112.4	L671 S672 L677 F678 F679 L716	L671-F675 WeakPolarHBondContact O-CD2 3.48Å; L671-F675 PolarHBondContact O-N 3.35Å; L671-F675 VanDerWaalsContact O-N 3.07Å; S672-F675 PolarHBondContact O-N 3.03Å; F675-L677 VanDerWaalsContact C-N 3.34Å; F675-L677 PolarHBondContact O-N 3.07Å; F675-F678 WeakPolarHBondContact O-CB 3.45Å; F675-F678 PolarHBondContact O-N 3.1Å; F675-F679 VanDerWaalsContact O-CD2 3.3Å; F675-F679 WeakPolarHBondContact O-CD2 3.27Å; F675-F679 PolarHBondContact O-N 3.43Å; F675-L716 HydrophobicContact CB-CD1 3.89Å
676	S	95.2	Very high	92.2	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.007	35%	0.346	C	S	.	.	H	α-helix	trans	-58.3	-46.8	175.5	-179.6	0	0	0	0	111	S672 W673 F678 F679 F680 W713 S717	S672-S676 VanDerWaalsContact O-CB 3.27Å; S672-S676 WeakPolarHBondContact O-CB 3.12Å; S672-S676 PolarHBondContact O-N 2.82Å; W673-S676 PolarHBondContact O-N 3.35Å; S676-F678 VanDerWaalsContact C-N 3.3Å; S676-F678 PolarHBondContact O-N 3.37Å; S676-F679 PolarHBondContact O-N 2.93Å; S676-F680 WeakPolarHBondContact O-CB 3.26Å; S676-F680 PolarHBondContact O-N 3.36Å; S676-W713 PolarHBondContact OG-NE1 2.84Å; S676-S717 WeakPolarHBondContact OG-CB 3.26Å
677	L	92.6	Very high	91.7	Very high	98 Å²	98	65 Å²	65	51%	0.513	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-36.1	178.2	-176.6	62.3	0	0	0	112.5	W673 G674 F675 F680 L681	W673-L677 WeakPolarHBondContact O-CB 3.47Å; W673-L677 PolarHBondContact O-N 2.81Å; G674-L677 PolarHBondContact O-N 2.81Å; F675-L677 VanDerWaalsContact C-N 3.34Å; F675-L677 PolarHBondContact O-N 3.07Å; L677-F680 HydrophobicContact CD1-CD1 4.23Å; L677-F680 PolarHBondContact O-N 3.17Å; L677-L681 HydrophobicContact CD1-CD1 4.45Å; L677-L681 HydrophobicContact CD1-CG 4.31Å; L677-L681 HydrophobicContact CG-CD1 4.27Å; L677-L681 VanDerWaalsContact O-CG 3.31Å; L677-L681 WeakPolarHBondContact O-CG 3.32Å; L677-L681 PolarHBondContact O-N 3.5Å; L677-L681 VanDerWaalsContact O-N 3.1Å
678	F	94.8	Very high	90.8	Very high	137 Å²	137	65.7 Å²	65.7	60%	0.601	33%	0.333	S	S	*	.	H	α-helix	trans	-58.6	-50.1	175.6	174.8	-95.6	0	0	0	111.8	G674 F675 S676 L681	G674-F678 PolarHBondContact O-N 2.78Å; G674-F678 VanDerWaalsContact O-N 3.17Å; F675-F678 WeakPolarHBondContact O-CB 3.45Å; F675-F678 PolarHBondContact O-N 3.1Å; S676-F678 VanDerWaalsContact C-N 3.3Å; S676-F678 PolarHBondContact O-N 3.37Å; F678-L681 PolarHBondContact O-N 3.4Å
679	F	93.7	Very high	90.1	Very high	41 Å²	41	63.3 Å²	63.3	18%	0.18	32%	0.322	C	S	.	.	H	α-helix	trans	-72.1	-29.3	177.9	-72.7	-73.9	0	0	0	113.1	F675 S676 L681 D682 L702 A709 I712 W713 L716	F675-F679 VanDerWaalsContact O-CD2 3.3Å; F675-F679 WeakPolarHBondContact O-CD2 3.27Å; F675-F679 PolarHBondContact O-N 3.43Å; S676-F679 PolarHBondContact O-N 2.93Å; F679-L681 VanDerWaalsContact C-N 3.31Å; F679-L681 PolarHBondContact O-N 3.21Å; F679-D682 PolarHBondContact O-N 2.85Å; F679-L702 HydrophobicContact CE1-CD1 4.24Å; F679-A709 HydrophobicContact CD1-CB 4.06Å; F679-I712 HydrophobicContact CD1-CB 4.29Å; F679-I712 HydrophobicContact CD1-CD1 4.45Å; F679-I712 HydrophobicContact CD1-CG2 4.15Å; F679-I712 HydrophobicContact CD2-CG2 3.65Å; F679-I712 HydrophobicContact CE1-CB 4.46Å; F679-I712 HydrophobicContact CE1-CD1 3.98Å; F679-I712 HydrophobicContact CE1-CG2 4.12Å; F679-I712 HydrophobicContact CE2-CG2 3.63Å; F679-I712 HydrophobicContact CG-CB 4.32Å; F679-I712 HydrophobicContact CG-CG2 3.92Å; F679-I712 HydrophobicContact CZ-CD1 4.34Å; F679-I712 HydrophobicContact CZ-CG2 3.87Å; F679-W713 HydrophobicContact CB-CB 3.99Å; F679-L716 HydrophobicContact CD2-CD1 3.59Å; F679-L716 HydrophobicContact CE2-CD1 3.9Å
680	F	90.1	Very high	89.6	Confident	76 Å²	76	64 Å²	64	33%	0.333	33%	0.326	S	S	.	.	H	α-helix	trans	-63.7	-35.4	174.1	-179.7	-103.1	0	0	0	113	L630 S676 L677 D682 W713	L630-F680 HydrophobicContact CD1-CZ 4.05Å; S676-F680 WeakPolarHBondContact O-CB 3.26Å; S676-F680 PolarHBondContact O-N 3.36Å; L677-F680 HydrophobicContact CD1-CD1 4.23Å; L677-F680 PolarHBondContact O-N 3.17Å; F680-D682 VanDerWaalsContact C-N 3.27Å; F680-W713 HydrophobicContact CB-CG 4.19Å; F680-W713 AromaticContact CD2-CD2 3.96Å; F680-W713 HydrophobicContact CD2-CD2 3.96Å; F680-W713 AromaticContact CD2-CE2 3.51Å; F680-W713 HydrophobicContact CD2-CE3 4.47Å; F680-W713 HydrophobicContact CD2-CG 4.45Å; F680-W713 HydrophobicContact CD2-CH2 4.31Å; F680-W713 AromaticContact CD2-CZ2 3.7Å; F680-W713 HydrophobicContact CD2-CZ2 3.7Å; F680-W713 AromaticContact CD2-NE1 3.69Å; F680-W713 HydrophobicContact CE2-CH2 4.36Å; F680-W713 HydrophobicContact CE2-CZ2 4.01Å
681	L	89.9	Confident	89.3	Confident	121 Å²	121	62.1 Å²	62.1	63%	0.634	31%	0.307	S	S	*	.	H	α-helix	trans	-75.9	-17.8	179	-68.5	173.3	0	0	0	112.7	L677 F678 F679 K683	L677-L681 HydrophobicContact CD1-CD1 4.45Å; L677-L681 HydrophobicContact CD1-CG 4.31Å; L677-L681 HydrophobicContact CG-CD1 4.27Å; L677-L681 VanDerWaalsContact O-CG 3.31Å; L677-L681 WeakPolarHBondContact O-CG 3.32Å; L677-L681 PolarHBondContact O-N 3.5Å; L677-L681 VanDerWaalsContact O-N 3.1Å; F678-L681 PolarHBondContact O-N 3.4Å; F679-L681 VanDerWaalsContact C-N 3.31Å; F679-L681 PolarHBondContact O-N 3.21Å; L681-K683 PolarHBondContact O-N 3.19Å; L681-K683 VanDerWaalsContact O-N 3.17Å
682	D	88.9	Confident	89	Confident	72 Å²	72	57 Å²	57	39%	0.385	28%	0.28	S	S	.	.	S	Bend	trans	-83.4	82.4	176	-171.2	10.7	0	0	0	111	F679 F680 Q684 A709	F679-D682 PolarHBondContact O-N 2.85Å; F680-D682 VanDerWaalsContact C-N 3.27Å; D682-Q684 PolarHBondContact O-N 2.95Å; D682-Q684 PolarHBondContact OD1-NE2 2.95Å; D682-Q684 VanDerWaalsContact OD1-NE2 3.14Å; D682-Q684 PolarHBondContact OD2-NE2 2.83Å; D682-A709 HydrophobicContact CB-CB 4.3Å
683	K	84.1	Confident	88.7	Confident	122 Å²	122	59.5 Å²	59.5	53%	0.53	29%	0.29	S	S	.	.			trans	-72.1	114.2	-174.5	-65.5	-178.4	-178.4	177.6	0	112	L681	L681-K683 PolarHBondContact O-N 3.19Å; L681-K683 VanDerWaalsContact O-N 3.17Å
684	Q	85.4	Confident	88.4	Confident	23 Å²	23	55.8 Å²	55.8	11%	0.107	28%	0.277	C	S	.	.			trans	-93.7	-14.9	175.9	-58.7	-62.1	-39.8	0	0	114	N402 D682 L697 N698 G699 A709	N402-Q684 HydrophobicContact CB-CB 4.48Å; D682-Q684 PolarHBondContact O-N 2.95Å; D682-Q684 PolarHBondContact OD1-NE2 2.95Å; D682-Q684 VanDerWaalsContact OD1-NE2 3.14Å; D682-Q684 PolarHBondContact OD2-NE2 2.83Å; Q684-L697 WeakPolarHBondContact CA-O 3.09Å; Q684-L697 CarbonylContact O-C 3.56Å; Q684-L697 PolarHBondContact OE1-O 2.96Å; Q684-N698 PolarHBondContact O-OD1 3.18Å; Q684-G699 VanDerWaalsContact OE1-CA 3.26Å; Q684-G699 VanDerWaalsContact OE1-N 3.13Å; Q684-A709 HydrophobicContact CG-CB 3.98Å
685	L	86.6	Confident	88.3	Confident	24 Å²	24	54 Å²	54	13%	0.126	26%	0.256	C	S	.	.			trans	-153.3	157.9	179.4	63.5	90.2	0	0	0	111.1
686	S	84.4	Confident	88.1	Confident	19 Å²	19	50.8 Å²	50.8	13%	0.133	24%	0.243	C	C	.	.			trans	-154.2	118.3	170.7	-168	0	0	0	0	112.4	Y400 R688 V689 S694	Y400-S686 WeakPolarHBondContact CD1-O 3.34Å; S686-R688 PolarHBondContact O-N 3.01Å; S686-R688 PolarHBondContact OG-N 2.9Å; S686-V689 VanDerWaalsContact O-CG2 3.28Å; S686-V689 WeakPolarHBondContact O-CG2 3.13Å; S686-S694 PolarHBondContact N-OG 3.47Å; S686-S694 WeakPolarHBondContact O-CB 3.44Å; S686-S694 PolarHBondContact O-OG 3.25Å
687	W	81.1	Confident	87.9	Confident	38 Å²	38	54.1 Å²	54.1	14%	0.144	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-4.5	171.6	55.8	-103.5	0	0	0	113.6	Y400 F491 D627 V689	Y400-W687 HydrophobicContact CD1-CB 4.35Å; Y400-W687 HydrophobicContact CD2-CB 4.26Å; Y400-W687 HydrophobicContact CG-CB 4.17Å; F491-W687 HydrophobicContact CD1-CH2 4.39Å; F491-W687 AromaticContact CD1-CZ2 3.54Å; F491-W687 HydrophobicContact CD1-CZ2 3.54Å; F491-W687 AromaticContact CD2-NE1 3.69Å; F491-W687 AromaticContact CE1-CZ2 3.61Å; F491-W687 HydrophobicContact CE1-CZ2 3.61Å; F491-W687 AromaticContact CE2-NE1 3.91Å; F491-W687 HydrophobicContact CG-CZ2 4.06Å; F491-W687 AromaticContact CG-NE1 3.84Å; F491-W687 HydrophobicContact CZ-CZ2 4.19Å; D627-W687 HydrophobicContact CB-CH2 3.52Å; D627-W687 HydrophobicContact CB-CZ2 3.84Å; D627-W687 HydrophobicContact CB-CZ3 4.43Å; D627-W687 VanDerWaalsContact CG-CH2 3.48Å; D627-W687 WeakPolarHBondContact OD1-CZ2 3.35Å; D627-W687 WeakPolarHBondContact OD2-CZ2 3.23Å; W687-V689 VanDerWaalsContact C-N 3.29Å
688	R	77.2	Confident	87.8	Confident	95 Å²	95	49.6 Å²	49.6	36%	0.358	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-19.3	178.5	-59.1	-176.4	-167.8	-174.3	-1.2	113.1	H229 D627 L630 S686	H229-R688 PolarHBondContact NE2-O 3.5Å; D627-R688 HydrophobicContact CB-CG 4.27Å; D627-R688 VanDerWaalsContact CG-NH2 3.27Å; D627-R688 IonicContact OD2-CZ 2.96Å; D627-R688 VanDerWaalsContact OD2-CZ 3.3Å; D627-R688 IonicContact OD2-NE 2.67Å; D627-R688 PolarHBondContact OD2-NE 3.08Å; D627-R688 VanDerWaalsContact OD2-NE 3.13Å; D627-R688 IonicContact OD2-NH2 2.8Å; D627-R688 PolarHBondContact OD2-NH2 2.88Å; L630-R688 VanDerWaalsContact CD2-NH2 3.3Å; S686-R688 PolarHBondContact O-N 3.01Å; S686-R688 PolarHBondContact OG-N 2.9Å
689	V	80.3	Confident	87.6	Confident	42 Å²	42	43.8 Å²	43.8	26%	0.255	22%	0.216	S	C	.	.	S	Bend	trans	-109.2	172.3	179.1	-63	0	0	0	0	109.4	H229 Y400 S686 W687 Q693	H229-V689 VanDerWaalsContact NE2-CA 3.31Å; H229-V689 WeakPolarHBondContact NE2-CA 3.28Å; Y400-V689 WeakPolarHBondContact CE1-O 3.07Å; S686-V689 VanDerWaalsContact O-CG2 3.28Å; S686-V689 WeakPolarHBondContact O-CG2 3.13Å; W687-V689 VanDerWaalsContact C-N 3.29Å; V689-Q693 HydrophobicContact CB-CB 3.78Å; V689-Q693 HydrophobicContact CG2-CB 3.77Å
690	T	85.9	Confident	87.4	Confident	20 Å²	20	44.6 Å²	44.6	12%	0.123	23%	0.23	C	C	.	.			trans	-62.7	157.5	173.9	65.4	0	0	0	0	110.8	C227 H229 A692 Q693 S694	C227-T690 WeakPolarHBondContact O-CB 3.29Å; C227-T690 PolarHBondContact O-OG1 2.9Å; H229-T690 PolarHBondContact NE2-N 3.23Å; T690-A692 PolarHBondContact O-N 2.95Å; T690-Q693 PolarHBondContact O-N 3.11Å; T690-Q693 VanDerWaalsContact O-N 3.07Å; T690-Q693 WeakPolarHBondContact OG1-CB 3.35Å; T690-Q693 WeakPolarHBondContact OG1-CG 3.38Å; T690-Q693 PolarHBondContact OG1-N 2.85Å; T690-S694 PolarHBondContact O-N 3.29Å
691	A	88	Confident	87.5	Confident	9 Å²	9	42.1 Å²	42.1	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-54.8	-41.1	177.6	0	0	0	0	0	112.2	D397 Y400 S694 R695	D397-A691 HydrophobicContact CB-CB 3.67Å; Y400-A691 HydrophobicContact CE1-CB 4.21Å; Y400-A691 PolarHBondContact OH-N 3.02Å; A691-S694 PolarHBondContact O-N 2.81Å; A691-R695 WeakPolarHBondContact O-CG 3.42Å; A691-R695 PolarHBondContact O-N 2.92Å; A691-R695 VanDerWaalsContact O-N 3.14Å; A691-R695 PolarHBondContact O-NH1 2.92Å
692	A	89	Confident	87.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-45.7	175.1	0	0	0	0	0	113	T199 C227 T690 R695	T199-A692 HydrophobicContact CG2-CB 4.24Å; C227-A692 HydrophobicContact CB-CB 3.7Å; T690-A692 PolarHBondContact O-N 2.95Å; A692-R695 PolarHBondContact O-N 2.96Å
693	Q	88.7	Confident	87.6	Confident	64 Å²	64	41.9 Å²	41.9	30%	0.299	22%	0.219	S	C	.	.	H	α-helix	trans	-69.2	-36.4	177.9	-73.8	179.2	-34.5	0	0	112.4	V689 T690 R695 E696	V689-Q693 HydrophobicContact CB-CB 3.78Å; V689-Q693 HydrophobicContact CG2-CB 3.77Å; T690-Q693 PolarHBondContact O-N 3.11Å; T690-Q693 VanDerWaalsContact O-N 3.07Å; T690-Q693 WeakPolarHBondContact OG1-CB 3.35Å; T690-Q693 WeakPolarHBondContact OG1-CG 3.38Å; T690-Q693 PolarHBondContact OG1-N 2.85Å; Q693-R695 PolarHBondContact O-N 2.81Å; Q693-E696 WeakPolarHBondContact O-CB 3.33Å; Q693-E696 PolarHBondContact O-N 2.78Å
694	S	90.7	Very high	87.7	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-34.9	176	-175.5	0	0	0	0	111.5	S686 T690 A691 E696 L697	S686-S694 PolarHBondContact N-OG 3.47Å; S686-S694 WeakPolarHBondContact O-CB 3.44Å; S686-S694 PolarHBondContact O-OG 3.25Å; T690-S694 PolarHBondContact O-N 3.29Å; A691-S694 PolarHBondContact O-N 2.81Å; S694-E696 PolarHBondContact O-N 3.32Å; S694-L697 WeakPolarHBondContact O-CB 3.42Å; S694-L697 PolarHBondContact O-N 3.06Å; S694-L697 VanDerWaalsContact O-N 3.09Å
695	R	91.7	Very high	87.8	Confident	4 Å²	4	44 Å²	44	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-67.6	-21.1	178.7	-71.1	172	-177.6	107.9	7.3	113.5	T197 K201 Q396 D397 F403 A691 A692 Q693 L697 N698	T197-R695 PolarHBondContact O-NH1 2.96Å; K201-R695 VanDerWaalsContact O-CB 3.32Å; K201-R695 WeakPolarHBondContact O-CB 3.34Å; Q396-R695 PolarHBondContact O-NH2 2.84Å; D397-R695 IonicContact OD1-CZ 3.96Å; D397-R695 IonicContact OD1-NH1 3.62Å; D397-R695 PolarHBondContact OD1-NH1 3.26Å; D397-R695 IonicContact OD1-NH2 3.72Å; D397-R695 PolarHBondContact OD1-NH2 2.88Å; F403-R695 HydrophobicContact CD2-CG 4.42Å; A691-R695 WeakPolarHBondContact O-CG 3.42Å; A691-R695 PolarHBondContact O-N 2.92Å; A691-R695 VanDerWaalsContact O-N 3.14Å; A691-R695 PolarHBondContact O-NH1 2.92Å; A692-R695 PolarHBondContact O-N 2.96Å; Q693-R695 PolarHBondContact O-N 2.81Å; R695-L697 PolarHBondContact O-N 3.29Å; R695-N698 WeakPolarHBondContact O-CB 3.09Å; R695-N698 PolarHBondContact O-N 3.07Å
696	E	90.9	Very high	88	Confident	58 Å²	58	42.9 Å²	42.9	27%	0.271	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.3	172.2	-57.5	-171.3	-158.1	0	0	112	T199 K200 Q693 S694	T199-E696 WeakPolarHBondContact CB-OE1 3.39Å; T199-E696 PolarHBondContact OG1-OE1 3.32Å; K200-E696 HydrophobicContact CB-CG 4.16Å; K200-E696 HydrophobicContact CD-CG 4.48Å; K200-E696 HydrophobicContact CG-CG 4.47Å; K200-E696 IonicContact NZ-OE2 3.9Å; K200-E696 PolarHBondContact NZ-OE2 2.91Å; Q693-E696 WeakPolarHBondContact O-CB 3.33Å; Q693-E696 PolarHBondContact O-N 2.78Å; S694-E696 PolarHBondContact O-N 3.32Å
697	L	90.8	Very high	88.5	Confident	71 Å²	71	42.2 Å²	42.2	37%	0.372	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.2	178	-56.7	175.5	0	0	0	113.2	Q684 S694 R695 G699	Q684-L697 WeakPolarHBondContact CA-O 3.09Å; Q684-L697 CarbonylContact O-C 3.56Å; Q684-L697 PolarHBondContact OE1-O 2.96Å; S694-L697 WeakPolarHBondContact O-CB 3.42Å; S694-L697 PolarHBondContact O-N 3.06Å; S694-L697 VanDerWaalsContact O-N 3.09Å; R695-L697 PolarHBondContact O-N 3.29Å; L697-G699 PolarHBondContact O-N 3.37Å
698	N	92.3	Very high	89	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	22%	0.219	C	C	.	.			trans	-60.3	131.2	178.7	-68.8	-3.5	0	0	0	109.7	K201 Y401 N402 F403 E404 Q684 R695	K201-N698 PolarHBondContact NZ-O 3.42Å; Y401-N698 PolarHBondContact O-OD1 3.19Å; N402-N698 WeakPolarHBondContact CA-OD1 3.34Å; N402-N698 WeakPolarHBondContact OD1-CA 3.49Å; N402-N698 VanDerWaalsContact OD1-CB 3.3Å; N402-N698 WeakPolarHBondContact OD1-CB 3.41Å; F403-N698 PolarHBondContact N-ND2 2.81Å; E404-N698 HydrophobicContact CB-CB 4.08Å; Q684-N698 PolarHBondContact O-OD1 3.18Å; R695-N698 WeakPolarHBondContact O-CB 3.09Å; R695-N698 PolarHBondContact O-N 3.07Å
699	G	88.8	Confident	89.8	Confident	15 Å²	15	35.9 Å²	35.9	16%	0.155	20%	0.202	C	C	.	.			trans	-127.4	157.9	-178.9	0	0	0	0	0	112.1	N402 Q684 L697	N402-G699 PolarHBondContact ND2-O 3.33Å; N402-G699 PolarHBondContact OD1-N 3.06Å; N402-G699 PolarHBondContact OD1-O 3.09Å; Q684-G699 VanDerWaalsContact OE1-CA 3.26Å; Q684-G699 VanDerWaalsContact OE1-N 3.13Å; L697-G699 PolarHBondContact O-N 3.37Å
700	A	91	Very high	90.4	Very high	57 Å²	57	35.8 Å²	35.8	47%	0.471	20%	0.199	S	C	.	.			trans	-63.5	153.5	179.1	0	0	0	0	0	112.4	E404 L702	E404-A700 WeakPolarHBondContact OE1-CA 3.48Å; E404-A700 PolarHBondContact OE1-N 3.27Å; A700-L702 PolarHBondContact O-N 3.17Å
701	C	91.7	Very high	90.8	Very high	25 Å²	25	34.8 Å²	34.8	17%	0.169	19%	0.193	C	C	.	.			trans	-61.9	131.5	171.4	-57.5	0	0	0	0	111.8	C405 K705 Y707	C405-C701 WeakPolarHBondContact CA-SG 3.36Å; C405-C701 HydrophobicContact CB-CB 4.09Å; C405-C701 WeakPolarHBondContact CB-SG 3.25Å; C405-C701 WeakPolarHBondContact SG-CA 3.49Å; C405-C701 WeakPolarHBondContact SG-CB 3.18Å; C405-C701 CovalentContact SG-SG 2.02Å; C405-C701 PolarHBondContact SG-SG 2.77Å; C701-K705 PolarHBondContact SG-O 3.44Å; C701-Y707 CarbonylContact C-O 3.58Å
702	L	91.4	Very high	91.1	Very high	100 Å²	100	35.1 Å²	35.1	52%	0.524	19%	0.193	S	C	.	.			trans	-88.7	-51.7	-176.7	-63.1	177.2	0	0	0	112.3	F679 A700 Y707 A709 I712	F679-L702 HydrophobicContact CE1-CD1 4.24Å; A700-L702 PolarHBondContact O-N 3.17Å; L702-Y707 PolarHBondContact N-O 2.82Å; L702-A709 HydrophobicContact CD1-CB 3.93Å; L702-I712 HydrophobicContact CB-CD1 4.12Å; L702-I712 HydrophobicContact CD1-CD1 4.03Å
703	I	89.1	Confident	91.4	Very high	87 Å²	87	36.3 Å²	36.3	45%	0.446	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-99.9	126.4	-175.6	-63.8	177.6	0	0	0	110.2	K705 F706 Y707 I712	I703-K705 PolarHBondContact O-N 2.87Å; I703-F706 PolarHBondContact O-N 2.74Å; I703-Y707 HydrophobicContact CG2-CD2 4.43Å; I703-Y707 PolarHBondContact N-O 2.91Å; I703-Y707 VanDerWaalsContact N-O 3.16Å; I703-Y707 PolarHBondContact O-N 2.86Å; I703-Y707 VanDerWaalsContact O-N 3.13Å; I703-I712 HydrophobicContact CD1-CD1 3.58Å; I703-I712 HydrophobicContact CD1-CG1 3.69Å; I703-I712 HydrophobicContact CG1-CD1 3.83Å; I703-I712 HydrophobicContact CG1-CG1 4.35Å
704	A	86.3	Confident	91.8	Very high	48 Å²	48	33.2 Å²	33.2	40%	0.397	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	17.3	176.2	0	0	0	0	0	115.2	I264 F706	I264-A704 HydrophobicContact CD1-CB 3.61Å; I264-A704 HydrophobicContact CG1-CB 3.99Å; I264-A704 HydrophobicContact CG2-CB 4.36Å; A704-F706 PolarHBondContact O-N 3.48Å
705	K	88.3	Confident	92	Very high	142 Å²	142	34.5 Å²	34.5	62%	0.617	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	28.1	-169	-58.9	-174.5	176	-166.7	0	113.9	I256 H407 C701 I703	I256-K705 HydrophobicContact CD1-CB 3.71Å; I256-K705 WeakPolarHBondContact CD1-O 3.31Å; H407-K705 PolarHBondContact NE2-O 3.32Å; H407-K705 VanDerWaalsContact NE2-O 3.13Å; C701-K705 PolarHBondContact SG-O 3.44Å; I703-K705 PolarHBondContact O-N 2.87Å
706	F	91.2	Very high	92.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-34.3	-176.6	-175	-102.2	0	0	0	114.2	F261 I264 H407 F415 N416 I703 A704	F261-F706 HydrophobicContact CB-CD2 3.79Å; F261-F706 HydrophobicContact CB-CE2 3.68Å; F261-F706 HydrophobicContact CB-CZ 4.46Å; F261-F706 HydrophobicContact CD2-CE2 4.19Å; F261-F706 HydrophobicContact CD2-CZ 4.47Å; F261-F706 HydrophobicContact CG-CE2 4.07Å; I264-F706 HydrophobicContact CD1-CB 3.72Å; I264-F706 HydrophobicContact CD1-CG 4.26Å; I264-F706 HydrophobicContact CG2-CB 4.25Å; I264-F706 HydrophobicContact CG2-CD1 3.87Å; I264-F706 HydrophobicContact CG2-CG 4.25Å; H407-F706 HydrophobicContact CB-CD2 4.17Å; H407-F706 HydrophobicContact CB-CE2 3.76Å; H407-F706 AromaticContact CD2-CD2 3.47Å; H407-F706 VanDerWaalsContact CD2-CD2 3.47Å; H407-F706 WeakPolarHBondContact CD2-CD2 3.3Å; H407-F706 AromaticContact CD2-CE2 3.94Å; H407-F706 AromaticContact CG-CD2 3.74Å; H407-F706 AromaticContact CG-CE2 3.87Å; F415-F706 HydrophobicContact CD1-CZ 4.23Å; N416-F706 HydrophobicContact CB-CD1 4.07Å; N416-F706 HydrophobicContact CB-CD2 4.49Å; N416-F706 HydrophobicContact CB-CE1 3.62Å; N416-F706 HydrophobicContact CB-CE2 4.08Å; N416-F706 HydrophobicContact CB-CG 4.5Å; N416-F706 HydrophobicContact CB-CZ 3.63Å; N416-F706 WeakPolarHBondContact CB-O 3.44Å; N416-F706 PolarHBondContact ND2-O 2.84Å; N416-F706 VanDerWaalsContact ND2-O 3.13Å; I703-F706 PolarHBondContact O-N 2.74Å; A704-F706 PolarHBondContact O-N 3.48Å
707	Y	93.4	Very high	92.4	Very high	5 Å²	5	33.6 Å²	33.6	2%	0.02	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-108.1	135.7	179.3	-63.9	-60.6	0	0	0	111.5	I264 T268 N416 F419 C701 L702 I703 D711 F715	I264-Y707 HydrophobicContact CG2-CD2 4.36Å; I264-Y707 HydrophobicContact CG2-CE2 3.7Å; T268-Y707 WeakPolarHBondContact OG1-CE2 3.3Å; T268-Y707 PolarHBondContact OG1-OH 2.84Å; N416-Y707 HydrophobicContact CB-CD1 4.41Å; F419-Y707 HydrophobicContact CD1-CE1 4.45Å; F419-Y707 WeakPolarHBondContact CD1-OH 3.47Å; F419-Y707 WeakPolarHBondContact CE1-OH 3.5Å; C701-Y707 CarbonylContact C-O 3.58Å; L702-Y707 PolarHBondContact N-O 2.82Å; I703-Y707 HydrophobicContact CG2-CD2 4.43Å; I703-Y707 PolarHBondContact N-O 2.91Å; I703-Y707 VanDerWaalsContact N-O 3.16Å; I703-Y707 PolarHBondContact O-N 2.86Å; I703-Y707 VanDerWaalsContact O-N 3.13Å; Y707-D711 WeakPolarHBondContact CA-OD2 3.25Å; Y707-D711 HydrophobicContact CD1-CB 3.79Å; Y707-D711 HydrophobicContact CG-CB 4.22Å; Y707-F715 AromaticContact CD1-CE2 3.95Å; Y707-F715 HydrophobicContact CD1-CE2 3.95Å; Y707-F715 HydrophobicContact CD1-CZ 4.13Å; Y707-F715 HydrophobicContact CD2-CE2 4.04Å; Y707-F715 AromaticContact CE1-CE2 3.88Å; Y707-F715 HydrophobicContact CE1-CE2 3.88Å; Y707-F715 AromaticContact CE1-CZ 3.62Å; Y707-F715 HydrophobicContact CE1-CZ 3.62Å; Y707-F715 AromaticContact CE2-CE2 3.95Å; Y707-F715 HydrophobicContact CE2-CE2 3.95Å; Y707-F715 HydrophobicContact CE2-CZ 4.14Å; Y707-F715 HydrophobicContact CG-CE2 4.03Å; Y707-F715 AromaticContact CZ-CE2 3.87Å; Y707-F715 AromaticContact CZ-CZ 3.62Å
708	D	93	Very high	92.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.			trans	-91.2	-175.7	173.2	74.2	13.8	0	0	0	112.8	N402 C405 H710 D711 I712	N402-D708 PolarHBondContact ND2-OD2 3.33Å; C405-D708 HydrophobicContact CB-CB 4.02Å; D708-H710 VanDerWaalsContact C-N 3.3Å; D708-H710 PolarHBondContact O-N 2.87Å; D708-H710 WeakPolarHBondContact OD1-CA 3.47Å; D708-H710 WeakPolarHBondContact OD1-CB 3.21Å; D708-H710 PolarHBondContact OD1-N 2.95Å; D708-D711 PolarHBondContact N-OD2 2.88Å; D708-D711 VanDerWaalsContact N-OD2 3.09Å; D708-D711 PolarHBondContact O-N 3.22Å; D708-D711 PolarHBondContact OD1-N 2.63Å; D708-I712 WeakPolarHBondContact O-CD1 3.41Å; D708-I712 VanDerWaalsContact O-CG1 3.26Å; D708-I712 WeakPolarHBondContact O-CG1 3.34Å; D708-I712 PolarHBondContact O-N 2.85Å
709	A	93.6	Very high	93	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-35.6	178.3	0	0	0	0	0	112.9	F679 D682 Q684 L702 I712 W713	F679-A709 HydrophobicContact CD1-CB 4.06Å; D682-A709 HydrophobicContact CB-CB 4.3Å; Q684-A709 HydrophobicContact CG-CB 3.98Å; L702-A709 HydrophobicContact CD1-CB 3.93Å; A709-I712 PolarHBondContact O-N 2.99Å; A709-W713 PolarHBondContact O-N 2.83Å
710	H	93	Very high	93.3	Very high	39 Å²	39	31.5 Å²	31.5	18%	0.181	17%	0.171	C	C	.	.	H	α-helix	trans	-71.3	-39.7	-179.5	-167.7	75	0	0	0	110.8	H483 D708 I712 W713 H714	H483-H710 AromaticContact CE1-CD2 3.51Å; H483-H710 AromaticContact CE1-NE2 3.17Å; H483-H710 PolarHBondContact CE1-NE2 2.8Å; H483-H710 AromaticContact NE2-CD2 3.74Å; H483-H710 AromaticContact NE2-NE2 3.17Å; H483-H710 PolarHBondContact NE2-NE2 2.84Å; H483-H710 VanDerWaalsContact NE2-NE2 3.17Å; D708-H710 VanDerWaalsContact C-N 3.3Å; D708-H710 PolarHBondContact O-N 2.87Å; D708-H710 WeakPolarHBondContact OD1-CA 3.47Å; D708-H710 WeakPolarHBondContact OD1-CB 3.21Å; D708-H710 PolarHBondContact OD1-N 2.95Å; H710-I712 VanDerWaalsContact C-N 3.32Å; H710-I712 PolarHBondContact O-N 2.85Å; H710-W713 AromaticContact CE1-CE3 3.44Å; H710-W713 VanDerWaalsContact CE1-CE3 3.44Å; H710-W713 AromaticContact CE1-CZ3 3.46Å; H710-W713 VanDerWaalsContact CE1-CZ3 3.46Å; H710-W713 WeakPolarHBondContact CE1-CZ3 3.27Å; H710-W713 AromaticContact ND1-CE3 3.66Å; H710-W713 AromaticContact NE2-CZ3 3.95Å; H710-W713 WeakPolarHBondContact O-CA 3.41Å; H710-W713 VanDerWaalsContact O-CB 3.31Å; H710-W713 WeakPolarHBondContact O-CB 3.28Å; H710-W713 PolarHBondContact O-N 2.86Å; H710-W713 VanDerWaalsContact O-N 3.13Å; H710-H714 AromaticContact CD2-CD2 3.89Å; H710-H714 AromaticContact CD2-CE1 3.98Å; H710-H714 AromaticContact CD2-NE2 3.16Å; H710-H714 PolarHBondContact CD2-NE2 3Å; H710-H714 AromaticContact CE1-NE2 3.78Å; H710-H714 AromaticContact NE2-CD2 3.91Å; H710-H714 AromaticContact NE2-CE1 3.88Å; H710-H714 AromaticContact NE2-NE2 2.98Å; H710-H714 PolarHBondContact NE2-NE2 2.93Å; H710-H714 PolarHBondContact O-CD2 3.25Å; H710-H714 PolarHBondContact O-N 2.83Å
711	D	94.6	Very high	93.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.3	-42.6	172.7	-68.7	-32.8	0	0	0	112.4	N416 N417 S420 Y707 D708 W713 H714 F715	N416-D711 PolarHBondContact ND2-OD2 2.86Å; N417-D711 WeakPolarHBondContact CA-OD1 3.15Å; N417-D711 PolarHBondContact OD1-OD1 2.86Å; N417-D711 PolarHBondContact OD1-OD2 2.97Å; S420-D711 WeakPolarHBondContact CB-OD1 3.39Å; S420-D711 PolarHBondContact OG-OD1 3.47Å; Y707-D711 WeakPolarHBondContact CA-OD2 3.25Å; Y707-D711 HydrophobicContact CD1-CB 3.79Å; Y707-D711 HydrophobicContact CG-CB 4.22Å; D708-D711 PolarHBondContact N-OD2 2.88Å; D708-D711 VanDerWaalsContact N-OD2 3.09Å; D708-D711 PolarHBondContact O-N 3.22Å; D708-D711 PolarHBondContact OD1-N 2.63Å; D711-W713 VanDerWaalsContact C-N 3.29Å; D711-W713 PolarHBondContact O-N 3.07Å; D711-H714 WeakPolarHBondContact O-CB 3.49Å; D711-H714 PolarHBondContact O-N 3.05Å; D711-F715 WeakPolarHBondContact O-CD2 3.44Å; D711-F715 PolarHBondContact O-N 2.81Å
712	I	94.7	Very high	93.8	Very high	15 Å²	15	29.3 Å²	29.3	8%	0.077	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-38.8	176.4	-63.7	164.4	0	0	0	110.4	F679 L702 I703 D708 A709 H710 H714 F715 L716	F679-I712 HydrophobicContact CD1-CB 4.29Å; F679-I712 HydrophobicContact CD1-CD1 4.45Å; F679-I712 HydrophobicContact CD1-CG2 4.15Å; F679-I712 HydrophobicContact CD2-CG2 3.65Å; F679-I712 HydrophobicContact CE1-CB 4.46Å; F679-I712 HydrophobicContact CE1-CD1 3.98Å; F679-I712 HydrophobicContact CE1-CG2 4.12Å; F679-I712 HydrophobicContact CE2-CG2 3.63Å; F679-I712 HydrophobicContact CG-CB 4.32Å; F679-I712 HydrophobicContact CG-CG2 3.92Å; F679-I712 HydrophobicContact CZ-CD1 4.34Å; F679-I712 HydrophobicContact CZ-CG2 3.87Å; L702-I712 HydrophobicContact CB-CD1 4.12Å; L702-I712 HydrophobicContact CD1-CD1 4.03Å; I703-I712 HydrophobicContact CD1-CD1 3.58Å; I703-I712 HydrophobicContact CD1-CG1 3.69Å; I703-I712 HydrophobicContact CG1-CD1 3.83Å; I703-I712 HydrophobicContact CG1-CG1 4.35Å; D708-I712 WeakPolarHBondContact O-CD1 3.41Å; D708-I712 VanDerWaalsContact O-CG1 3.26Å; D708-I712 WeakPolarHBondContact O-CG1 3.34Å; D708-I712 PolarHBondContact O-N 2.85Å; A709-I712 PolarHBondContact O-N 2.99Å; H710-I712 VanDerWaalsContact C-N 3.32Å; H710-I712 PolarHBondContact O-N 2.85Å; I712-H714 VanDerWaalsContact C-N 3.3Å; I712-H714 PolarHBondContact O-N 3.33Å; I712-F715 PolarHBondContact O-N 3.49Å; I712-L716 HydrophobicContact CG2-CD1 3.74Å; I712-L716 HydrophobicContact CG2-CG 4.21Å; I712-L716 WeakPolarHBondContact O-CB 3.37Å; I712-L716 WeakPolarHBondContact O-CG 3.32Å; I712-L716 PolarHBondContact O-N 2.82Å
713	W	95.2	Very high	94	Very high	25 Å²	25	25.2 Å²	25.2	10%	0.095	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-40.2	173.7	170.1	65.4	0	0	0	111.9	S676 F679 F680 A709 H710 D711 L716 S717	S676-W713 PolarHBondContact OG-NE1 2.84Å; F679-W713 HydrophobicContact CB-CB 3.99Å; F680-W713 HydrophobicContact CB-CG 4.19Å; F680-W713 AromaticContact CD2-CD2 3.96Å; F680-W713 HydrophobicContact CD2-CD2 3.96Å; F680-W713 AromaticContact CD2-CE2 3.51Å; F680-W713 HydrophobicContact CD2-CE3 4.47Å; F680-W713 HydrophobicContact CD2-CG 4.45Å; F680-W713 HydrophobicContact CD2-CH2 4.31Å; F680-W713 AromaticContact CD2-CZ2 3.7Å; F680-W713 HydrophobicContact CD2-CZ2 3.7Å; F680-W713 AromaticContact CD2-NE1 3.69Å; F680-W713 HydrophobicContact CE2-CH2 4.36Å; F680-W713 HydrophobicContact CE2-CZ2 4.01Å; A709-W713 PolarHBondContact O-N 2.83Å; H710-W713 AromaticContact CE1-CE3 3.44Å; H710-W713 VanDerWaalsContact CE1-CE3 3.44Å; H710-W713 AromaticContact CE1-CZ3 3.46Å; H710-W713 VanDerWaalsContact CE1-CZ3 3.46Å; H710-W713 WeakPolarHBondContact CE1-CZ3 3.27Å; H710-W713 AromaticContact ND1-CE3 3.66Å; H710-W713 AromaticContact NE2-CZ3 3.95Å; H710-W713 WeakPolarHBondContact O-CA 3.41Å; H710-W713 VanDerWaalsContact O-CB 3.31Å; H710-W713 WeakPolarHBondContact O-CB 3.28Å; H710-W713 PolarHBondContact O-N 2.86Å; H710-W713 VanDerWaalsContact O-N 3.13Å; D711-W713 VanDerWaalsContact C-N 3.29Å; D711-W713 PolarHBondContact O-N 3.07Å; W713-L716 PolarHBondContact O-N 2.86Å; W713-S717 VanDerWaalsContact O-CB 3.22Å; W713-S717 WeakPolarHBondContact O-CB 3.03Å; W713-S717 PolarHBondContact O-N 3.41Å; W713-S717 PolarHBondContact O-OG 2.9Å
714	H	95.3	Very high	94.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.5	-49.5	177.1	-71.1	-152.4	0	0	0	111.2	S420 N421 Y424 H483 H710 D711 I712 L716 S717 A718	S420-H714 PolarHBondContact OG-ND1 3Å; N421-H714 PolarHBondContact ND2-CE1 2.86Å; N421-H714 VanDerWaalsContact ND2-CE1 3.3Å; N421-H714 PolarHBondContact ND2-ND1 3.2Å; N421-H714 VanDerWaalsContact ND2-ND1 3.14Å; N421-H714 PolarHBondContact OD1-CE1 3.31Å; N421-H714 PolarHBondContact OD1-ND1 3.4Å; Y424-H714 HydrophobicContact CE2-CB 4.32Å; H483-H714 AromaticContact CD2-CE1 3.5Å; H483-H714 AromaticContact NE2-CE1 3.27Å; H483-H714 PolarHBondContact NE2-CE1 2.81Å; H483-H714 VanDerWaalsContact NE2-CE1 3.27Å; H483-H714 AromaticContact NE2-NE2 3.51Å; H710-H714 AromaticContact CD2-CD2 3.89Å; H710-H714 AromaticContact CD2-CE1 3.98Å; H710-H714 AromaticContact CD2-NE2 3.16Å; H710-H714 PolarHBondContact CD2-NE2 3Å; H710-H714 AromaticContact CE1-NE2 3.78Å; H710-H714 AromaticContact NE2-CD2 3.91Å; H710-H714 AromaticContact NE2-CE1 3.88Å; H710-H714 AromaticContact NE2-NE2 2.98Å; H710-H714 PolarHBondContact NE2-NE2 2.93Å; H710-H714 PolarHBondContact O-CD2 3.25Å; H710-H714 PolarHBondContact O-N 2.83Å; D711-H714 WeakPolarHBondContact O-CB 3.49Å; D711-H714 PolarHBondContact O-N 3.05Å; I712-H714 VanDerWaalsContact C-N 3.3Å; I712-H714 PolarHBondContact O-N 3.33Å; H714-L716 PolarHBondContact O-N 3.01Å; H714-S717 PolarHBondContact O-OG 2.88Å; H714-S717 VanDerWaalsContact O-OG 3.14Å; H714-A718 VanDerWaalsContact O-CB 3.24Å; H714-A718 WeakPolarHBondContact O-CB 3.39Å; H714-A718 PolarHBondContact O-N 2.82Å
715	F	95.7	Very high	94.8	Very high	29 Å²	29	19.9 Å²	19.9	13%	0.127	10%	0.095	C	C	.	.	H	α-helix	trans	-60.6	-47.7	178.7	-61.5	-36.8	0	0	0	112.3	T268 Y272 S420 Y707 D711 I712 I719	T268-F715 HydrophobicContact CG2-CE1 3.97Å; T268-F715 HydrophobicContact CG2-CE2 4.48Å; T268-F715 HydrophobicContact CG2-CZ 3.75Å; Y272-F715 WeakPolarHBondContact OH-CD1 3.35Å; S420-F715 VanDerWaalsContact CA-CE1 3.45Å; S420-F715 VanDerWaalsContact O-CD1 3.27Å; S420-F715 WeakPolarHBondContact O-CD1 3.33Å; S420-F715 WeakPolarHBondContact O-CE1 3.37Å; Y707-F715 AromaticContact CD1-CE2 3.95Å; Y707-F715 HydrophobicContact CD1-CE2 3.95Å; Y707-F715 HydrophobicContact CD1-CZ 4.13Å; Y707-F715 HydrophobicContact CD2-CE2 4.04Å; Y707-F715 AromaticContact CE1-CE2 3.88Å; Y707-F715 HydrophobicContact CE1-CE2 3.88Å; Y707-F715 AromaticContact CE1-CZ 3.62Å; Y707-F715 HydrophobicContact CE1-CZ 3.62Å; Y707-F715 AromaticContact CE2-CE2 3.95Å; Y707-F715 HydrophobicContact CE2-CE2 3.95Å; Y707-F715 HydrophobicContact CE2-CZ 4.14Å; Y707-F715 HydrophobicContact CG-CE2 4.03Å; Y707-F715 AromaticContact CZ-CE2 3.87Å; Y707-F715 AromaticContact CZ-CZ 3.62Å; D711-F715 WeakPolarHBondContact O-CD2 3.44Å; D711-F715 PolarHBondContact O-N 2.81Å; I712-F715 PolarHBondContact O-N 3.49Å; F715-I719 WeakPolarHBondContact O-CG1 3.38Å; F715-I719 PolarHBondContact O-N 2.84Å; F715-I719 VanDerWaalsContact O-N 3.17Å
716	L	96	Very high	95.1	Very high	39 Å²	39	13.5 Å²	13.5	20%	0.204	7%	0.068	C	C	.	.	H	α-helix	trans	-70.6	-39.5	-177.6	-69.9	175	0	0	0	112.7	F675 F679 I712 W713 H714 I719 S720	F675-L716 HydrophobicContact CB-CD1 3.89Å; F679-L716 HydrophobicContact CD2-CD1 3.59Å; F679-L716 HydrophobicContact CE2-CD1 3.9Å; I712-L716 HydrophobicContact CG2-CD1 3.74Å; I712-L716 HydrophobicContact CG2-CG 4.21Å; I712-L716 WeakPolarHBondContact O-CB 3.37Å; I712-L716 WeakPolarHBondContact O-CG 3.32Å; I712-L716 PolarHBondContact O-N 2.82Å; W713-L716 PolarHBondContact O-N 2.86Å; H714-L716 PolarHBondContact O-N 3.01Å; L716-I719 PolarHBondContact O-N 2.01Å; L716-S720 WeakPolarHBondContact O-CB 3.29Å; L716-S720 PolarHBondContact O-N 3.23Å; L716-S720 PolarHBondContact O-OG 2.8Å
717	S	95.7	Very high	95.2	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.028	7%	0.072	C	C	.	.	H	α-helix	trans	-70.1	-36.4	177.2	58.3	0	0	0	0	111.4	Y424 S676 W713 H714 I719 S720 M721	Y424-S717 PolarHBondContact OH-OG 3.28Å; S676-S717 WeakPolarHBondContact OG-CB 3.26Å; W713-S717 VanDerWaalsContact O-CB 3.22Å; W713-S717 WeakPolarHBondContact O-CB 3.03Å; W713-S717 PolarHBondContact O-N 3.41Å; W713-S717 PolarHBondContact O-OG 2.9Å; H714-S717 PolarHBondContact O-OG 2.88Å; H714-S717 VanDerWaalsContact O-OG 3.14Å; S717-I719 PolarHBondContact O-N 2.75Å; S717-S720 PolarHBondContact O-N 3.2Å; S717-M721 WeakPolarHBondContact O-CB 3.39Å; S717-M721 VanDerWaalsContact O-CG 3.3Å; S717-M721 WeakPolarHBondContact O-CG 3.01Å; S717-M721 PolarHBondContact O-N 2.96Å
718	A	97.1	Very high	95.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.1	-46.3	172.3	0	0	0	0	0	111.8	Y424 L427 H714 S720 M721 F722	Y424-A718 HydrophobicContact CD1-CB 3.47Å; Y424-A718 VanDerWaalsContact CD1-CB 3.47Å; Y424-A718 HydrophobicContact CD2-CB 4.41Å; Y424-A718 VanDerWaalsContact CE1-CA 3.46Å; Y424-A718 HydrophobicContact CE1-CB 3.66Å; Y424-A718 HydrophobicContact CG-CB 3.88Å; L427-A718 VanDerWaalsContact CD1-C 3.48Å; L427-A718 HydrophobicContact CD1-CB 4.04Å; L427-A718 WeakPolarHBondContact CD1-O 3.46Å; H714-A718 VanDerWaalsContact O-CB 3.24Å; H714-A718 WeakPolarHBondContact O-CB 3.39Å; H714-A718 PolarHBondContact O-N 2.82Å; A718-S720 VanDerWaalsContact C-N 3.35Å; A718-M721 PolarHBondContact O-N 2.84Å; A718-F722 WeakPolarHBondContact O-CB 3.45Å; A718-F722 PolarHBondContact O-N 2.89Å
719	I	97.2	Very high	95.2	Very high	46 Å²	46	15.3 Å²	15.3	24%	0.236	8%	0.077	C	C	.	.	H	α-helix	trans	-60.8	-45	173.7	-66.9	167.2	0	0	0	110.7	I275 L427 F715 L716 S717 M721 F722 L723	I275-I719 HydrophobicContact CD1-CD1 4.16Å; I275-I719 HydrophobicContact CD1-CG1 4.35Å; L427-I719 HydrophobicContact CD1-CB 4.42Å; L427-I719 HydrophobicContact CD1-CG1 3.89Å; F715-I719 WeakPolarHBondContact O-CG1 3.38Å; F715-I719 PolarHBondContact O-N 2.84Å; F715-I719 VanDerWaalsContact O-N 3.17Å; L716-I719 PolarHBondContact O-N 2.01Å; S717-I719 PolarHBondContact O-N 2.75Å; I719-M721 PolarHBondContact O-N 2.87Å; I719-F722 PolarHBondContact O-N 2.94Å; I719-L723 HydrophobicContact CG2-CD1 3.81Å; I719-L723 HydrophobicContact CG2-CG 4.37Å; I719-L723 VanDerWaalsContact O-CG 3.24Å; I719-L723 WeakPolarHBondContact O-CG 3.38Å; I719-L723 PolarHBondContact O-N 2.9Å
720	S	96.6	Very high	95.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-41.5	-178.5	-56.5	0	0	0	0	112.8	S672 W673 L716 S717 A718 L723 S724	S672-S720 WeakPolarHBondContact CB-OG 3.25Å; S672-S720 PolarHBondContact O-OG 3.23Å; S672-S720 WeakPolarHBondContact OG-CA 3.34Å; S672-S720 WeakPolarHBondContact OG-CB 3.23Å; S672-S720 PolarHBondContact OG-OG 2.97Å; W673-S720 VanDerWaalsContact CD2-CB 3.49Å; W673-S720 VanDerWaalsContact CE2-CB 3.47Å; W673-S720 PolarHBondContact N-OG 2.94Å; L716-S720 WeakPolarHBondContact O-CB 3.29Å; L716-S720 PolarHBondContact O-N 3.23Å; L716-S720 PolarHBondContact O-OG 2.8Å; S717-S720 PolarHBondContact O-N 3.2Å; A718-S720 VanDerWaalsContact C-N 3.35Å; S720-L723 PolarHBondContact O-N 2.82Å; S720-S724 WeakPolarHBondContact O-CB 3.49Å; S720-S724 PolarHBondContact O-N 2.87Å; S720-S724 PolarHBondContact O-OG 3.44Å
721	M	95.6	Very high	95.1	Very high	32 Å²	32	13.7 Å²	13.7	16%	0.158	7%	0.07	C	C	.	.	H	α-helix	trans	-64.8	-46.8	175.4	-76.5	-59.1	-63.4	0	0	111.5	L472 I501 W673 S717 A718 I719 L723 S724 F725	L472-M721 HydrophobicContact CD1-CB 4.09Å; I501-M721 HydrophobicContact CB-CE 4.5Å; I501-M721 HydrophobicContact CG2-CE 3.26Å; W673-M721 HydrophobicContact CH2-CG 4.04Å; W673-M721 HydrophobicContact CH2-SD 3.69Å; W673-M721 HydrophobicContact CZ2-CG 3.99Å; W673-M721 HydrophobicContact CZ2-SD 3.42Å; W673-M721 WeakPolarHBondContact CZ2-SD 3.47Å; S717-M721 WeakPolarHBondContact O-CB 3.39Å; S717-M721 VanDerWaalsContact O-CG 3.3Å; S717-M721 WeakPolarHBondContact O-CG 3.01Å; S717-M721 PolarHBondContact O-N 2.96Å; A718-M721 PolarHBondContact O-N 2.84Å; I719-M721 PolarHBondContact O-N 2.87Å; M721-L723 PolarHBondContact O-N 2.84Å; M721-S724 WeakPolarHBondContact O-CB 3.2Å; M721-S724 PolarHBondContact O-N 2.84Å; M721-S724 VanDerWaalsContact O-N 3.17Å; M721-F725 HydrophobicContact CE-CD1 4.44Å; M721-F725 HydrophobicContact CE-CE1 3.55Å; M721-F725 HydrophobicContact CE-CZ 3.87Å; M721-F725 WeakPolarHBondContact O-CD1 3.43Å; M721-F725 WeakPolarHBondContact O-CG 3.36Å; M721-F725 PolarHBondContact O-N 3.09Å
722	F	97.1	Very high	94.8	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-56.3	-48.7	174.9	172	-104.4	0	0	0	111.9	V279 L427 L430 F431 L434 A718 I719 S724 F725 L726	V279-F722 HydrophobicContact CG1-CZ 4.19Å; V279-F722 HydrophobicContact CG2-CE1 3.91Å; V279-F722 HydrophobicContact CG2-CZ 4.16Å; L427-F722 HydrophobicContact CB-CB 3.95Å; L427-F722 HydrophobicContact CB-CD2 4.09Å; L427-F722 HydrophobicContact CB-CG 4.11Å; L427-F722 HydrophobicContact CD1-CB 4.05Å; L427-F722 HydrophobicContact CD2-CD1 4.35Å; L427-F722 HydrophobicContact CD2-CG 4.26Å; L427-F722 HydrophobicContact CG-CB 4.45Å; L427-F722 WeakPolarHBondContact O-CD2 3.29Å; L430-F722 HydrophobicContact CB-CE2 4.18Å; L430-F722 HydrophobicContact CD2-CE1 4.19Å; L430-F722 HydrophobicContact CD2-CE2 3.89Å; L430-F722 HydrophobicContact CD2-CZ 3.54Å; L430-F722 HydrophobicContact CG-CE2 3.85Å; L430-F722 HydrophobicContact CG-CZ 3.86Å; F431-F722 HydrophobicContact CB-CD2 4.08Å; F431-F722 HydrophobicContact CB-CE2 4.05Å; L434-F722 HydrophobicContact CD1-CE2 4.24Å; L434-F722 HydrophobicContact CD1-CZ 4.02Å; A718-F722 WeakPolarHBondContact O-CB 3.45Å; A718-F722 PolarHBondContact O-N 2.89Å; I719-F722 PolarHBondContact O-N 2.94Å; F722-S724 VanDerWaalsContact C-N 3.32Å; F722-S724 PolarHBondContact O-N 3.1Å; F722-F725 PolarHBondContact O-N 3.43Å; F722-L726 HydrophobicContact CD1-CD1 4.11Å; F722-L726 HydrophobicContact CE1-CD1 3.41Å; F722-L726 VanDerWaalsContact CE1-CD1 3.41Å; F722-L726 HydrophobicContact CE1-CG 4.09Å; F722-L726 HydrophobicContact CE2-CD1 4.35Å; F722-L726 HydrophobicContact CE2-CD2 4.3Å; F722-L726 HydrophobicContact CE2-CG 4.25Å; F722-L726 HydrophobicContact CZ-CD1 3.55Å; F722-L726 HydrophobicContact CZ-CD2 4.14Å; F722-L726 HydrophobicContact CZ-CG 3.94Å; F722-L726 WeakPolarHBondContact O-CG 3.45Å; F722-L726 PolarHBondContact O-N 2.74Å
723	L	96.5	Very high	94.5	Very high	13 Å²	13	14.6 Å²	14.6	7%	0.068	8%	0.075	C	C	.	.	H	α-helix	trans	-63.3	-38.4	177.2	-66.4	168.5	0	0	0	112	I665 L668 I719 S720 M721 F725 L726 I727	I665-L723 HydrophobicContact CG2-CB 4.21Å; I665-L723 HydrophobicContact CG2-CD2 4.03Å; I665-L723 WeakPolarHBondContact CG2-O 3.16Å; L668-L723 HydrophobicContact CB-CD1 4.16Å; L668-L723 HydrophobicContact CD2-CD1 3.81Å; L668-L723 HydrophobicContact CD2-CD2 3.84Å; L668-L723 HydrophobicContact CG-CD1 3.59Å; L668-L723 HydrophobicContact CG-CD2 4.43Å; I719-L723 HydrophobicContact CG2-CD1 3.81Å; I719-L723 HydrophobicContact CG2-CG 4.37Å; I719-L723 VanDerWaalsContact O-CG 3.24Å; I719-L723 WeakPolarHBondContact O-CG 3.38Å; I719-L723 PolarHBondContact O-N 2.9Å; S720-L723 PolarHBondContact O-N 2.82Å; M721-L723 PolarHBondContact O-N 2.84Å; L723-F725 VanDerWaalsContact C-N 3.33Å; L723-F725 PolarHBondContact O-N 3.43Å; L723-L726 HydrophobicContact CD2-CD1 4.47Å; L723-L726 WeakPolarHBondContact O-CB 3.38Å; L723-L726 PolarHBondContact O-N 3.31Å; L723-I727 WeakPolarHBondContact O-CG1 3.36Å; L723-I727 PolarHBondContact O-N 2.89Å
724	S	95.1	Very high	94	Very high	22 Å²	22	14.8 Å²	14.8	15%	0.154	8%	0.078	C	C	.	.	H	α-helix	trans	-63.2	-40.1	175.9	-56.7	0	0	0	0	111.7	S669 W673 S720 M721 F722 I727 L728	S669-S724 PolarHBondContact OG-OG 2.91Å; W673-S724 PolarHBondContact NE1-OG 3.32Å; S720-S724 WeakPolarHBondContact O-CB 3.49Å; S720-S724 PolarHBondContact O-N 2.87Å; S720-S724 PolarHBondContact O-OG 3.44Å; M721-S724 WeakPolarHBondContact O-CB 3.2Å; M721-S724 PolarHBondContact O-N 2.84Å; M721-S724 VanDerWaalsContact O-N 3.17Å; F722-S724 VanDerWaalsContact C-N 3.32Å; F722-S724 PolarHBondContact O-N 3.1Å; S724-I727 WeakPolarHBondContact O-CB 3.45Å; S724-I727 PolarHBondContact O-N 2.66Å; S724-L728 PolarHBondContact O-N 3.09Å; S724-L728 VanDerWaalsContact O-N 3.16Å
725	F	96.1	Very high	93.6	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	8%	0.08	C	C	.	.	H	α-helix	trans	-66.8	-38.7	174.1	-73	8.4	0	0	0	111.8	F431 M468 L472 I501 C505 M721 F722 L723 I727 L728 L729	F431-F725 AromaticContact CD1-CD2 3.96Å; F431-F725 HydrophobicContact CD1-CD2 3.96Å; F431-F725 HydrophobicContact CD2-CB 3.9Å; F431-F725 HydrophobicContact CE1-CB 4.27Å; F431-F725 AromaticContact CE1-CD2 3.93Å; F431-F725 HydrophobicContact CE1-CD2 3.93Å; F431-F725 HydrophobicContact CE1-CG 4.49Å; F431-F725 HydrophobicContact CE2-CB 3.53Å; F431-F725 HydrophobicContact CG-CB 4.44Å; F431-F725 HydrophobicContact CG-CD2 4.27Å; F431-F725 HydrophobicContact CZ-CB 3.73Å; F431-F725 HydrophobicContact CZ-CD2 4.24Å; F431-F725 HydrophobicContact CZ-CG 4.37Å; M468-F725 HydrophobicContact CB-CD2 4.27Å; M468-F725 HydrophobicContact CB-CE2 3.88Å; M468-F725 HydrophobicContact CB-CZ 4.15Å; M468-F725 HydrophobicContact CE-CB 4.33Å; M468-F725 HydrophobicContact CE-CD1 3.51Å; M468-F725 HydrophobicContact CE-CD2 4.22Å; M468-F725 HydrophobicContact CE-CE1 3.76Å; M468-F725 HydrophobicContact CE-CE2 4.43Å; M468-F725 HydrophobicContact CE-CG 3.77Å; M468-F725 HydrophobicContact CE-CZ 4.22Å; M468-F725 WeakPolarHBondContact O-CE2 3.42Å; L472-F725 HydrophobicContact CB-CE2 3.96Å; L472-F725 HydrophobicContact CD2-CD2 4.27Å; L472-F725 HydrophobicContact CD2-CE2 4.03Å; L472-F725 HydrophobicContact CG-CE2 4.46Å; I501-F725 HydrophobicContact CG2-CE1 3.79Å; I501-F725 HydrophobicContact CG2-CZ 3.58Å; C505-F725 VanDerWaalsContact SG-CE1 3.52Å; M721-F725 HydrophobicContact CE-CD1 4.44Å; M721-F725 HydrophobicContact CE-CE1 3.55Å; M721-F725 HydrophobicContact CE-CZ 3.87Å; M721-F725 WeakPolarHBondContact O-CD1 3.43Å; M721-F725 WeakPolarHBondContact O-CG 3.36Å; M721-F725 PolarHBondContact O-N 3.09Å; F722-F725 PolarHBondContact O-N 3.43Å; L723-F725 VanDerWaalsContact C-N 3.33Å; L723-F725 PolarHBondContact O-N 3.43Å; F725-I727 VanDerWaalsContact C-N 3.33Å; F725-I727 PolarHBondContact O-N 3.27Å; F725-L728 PolarHBondContact O-N 3.21Å; F725-L729 WeakPolarHBondContact O-CB 3.32Å; F725-L729 PolarHBondContact O-N 3.14Å
726	L	94.7	Very high	93	Very high	9 Å²	9	15.2 Å²	15.2	5%	0.047	8%	0.082	C	C	.	.	H	α-helix	trans	-62.4	-39.4	173.2	-70.5	-174.1	0	0	0	112.2	F431 L434 I665 F722 L723 L729 V730	F431-L726 HydrophobicContact CD2-CD2 4.09Å; F431-L726 HydrophobicContact CE2-CD2 4.3Å; L434-L726 HydrophobicContact CD1-CD2 3.63Å; I665-L726 HydrophobicContact CD1-CB 4.31Å; I665-L726 HydrophobicContact CG2-CB 4.03Å; F722-L726 HydrophobicContact CD1-CD1 4.11Å; F722-L726 HydrophobicContact CE1-CD1 3.41Å; F722-L726 VanDerWaalsContact CE1-CD1 3.41Å; F722-L726 HydrophobicContact CE1-CG 4.09Å; F722-L726 HydrophobicContact CE2-CD1 4.35Å; F722-L726 HydrophobicContact CE2-CD2 4.3Å; F722-L726 HydrophobicContact CE2-CG 4.25Å; F722-L726 HydrophobicContact CZ-CD1 3.55Å; F722-L726 HydrophobicContact CZ-CD2 4.14Å; F722-L726 HydrophobicContact CZ-CG 3.94Å; F722-L726 WeakPolarHBondContact O-CG 3.45Å; F722-L726 PolarHBondContact O-N 2.74Å; L723-L726 HydrophobicContact CD2-CD1 4.47Å; L723-L726 WeakPolarHBondContact O-CB 3.38Å; L723-L726 PolarHBondContact O-N 3.31Å; L726-L729 HydrophobicContact CD2-CD2 4.33Å; L726-L729 WeakPolarHBondContact O-CB 3.39Å; L726-L729 PolarHBondContact O-N 2.8Å; L726-V730 WeakPolarHBondContact O-CG2 3.42Å; L726-V730 PolarHBondContact O-N 3.22Å
727	I	94.2	Very high	92.3	Very high	18 Å²	18	14.7 Å²	14.7	9%	0.092	8%	0.08	C	C	.	.	H	α-helix	trans	-56	-53.6	173	-67.3	165.3	0	0	0	109.1	V662 I665 L723 S724 F725 L729 V730 I731	V662-I727 HydrophobicContact CG1-CG2 4.35Å; I665-I727 HydrophobicContact CB-CG1 4.27Å; I665-I727 HydrophobicContact CG2-CD1 4.4Å; I665-I727 HydrophobicContact CG2-CG1 3.65Å; L723-I727 WeakPolarHBondContact O-CG1 3.36Å; L723-I727 PolarHBondContact O-N 2.89Å; S724-I727 WeakPolarHBondContact O-CB 3.45Å; S724-I727 PolarHBondContact O-N 2.66Å; F725-I727 VanDerWaalsContact C-N 3.33Å; F725-I727 PolarHBondContact O-N 3.27Å; I727-L729 PolarHBondContact O-N 3.39Å; I727-V730 PolarHBondContact O-N 3.11Å; I727-V730 VanDerWaalsContact O-N 3.11Å; I727-I731 HydrophobicContact CG2-CD1 4.39Å; I727-I731 WeakPolarHBondContact O-CA 3.37Å; I727-I731 VanDerWaalsContact O-CB 3.23Å; I727-I731 WeakPolarHBondContact O-CB 3.26Å; I727-I731 PolarHBondContact O-N 3.5Å
728	L	93.5	Very high	91.7	Very high	14 Å²	14	16.2 Å²	16.2	7%	0.073	9%	0.089	C	C	.	.	H	α-helix	trans	-60.3	-31.3	178.9	-66.9	178.8	0	0	0	113.1	F465 M468 C505 I509 L644 S724 F725	F465-L728 HydrophobicContact CE1-CB 4.3Å; M468-L728 HydrophobicContact CE-CD1 3.77Å; C505-L728 HydrophobicContact CB-CD1 4.19Å; I509-L728 HydrophobicContact CD1-CD2 4.15Å; I509-L728 HydrophobicContact CG1-CD2 3.58Å; L644-L728 HydrophobicContact CD1-CD2 4.12Å; S724-L728 PolarHBondContact O-N 3.09Å; S724-L728 VanDerWaalsContact O-N 3.16Å; F725-L728 PolarHBondContact O-N 3.21Å
729	L	92.6	Very high	91.1	Very high	11 Å²	11	16.9 Å²	16.9	6%	0.058	10%	0.095	C	C	.	.	H	α-helix	trans	-70.8	-34.6	177.3	-174.7	61.9	0	0	0	112.7	W283 F431 V435 R438 F465 F725 L726 I727	W283-L729 HydrophobicContact CH2-CD2 4.05Å; F431-L729 HydrophobicContact CE2-CB 4.34Å; F431-L729 HydrophobicContact CE2-CD2 4.08Å; V435-L729 HydrophobicContact CG2-CD1 4.42Å; V435-L729 HydrophobicContact CG2-CD2 4.37Å; R438-L729 PolarHBondContact NH1-O 2.67Å; F465-L729 HydrophobicContact CD1-CD1 4.29Å; F465-L729 HydrophobicContact CD2-CD1 3.99Å; F465-L729 HydrophobicContact CE1-CB 4.3Å; F465-L729 HydrophobicContact CE1-CD1 4.18Å; F465-L729 HydrophobicContact CE2-CD1 3.88Å; F465-L729 HydrophobicContact CG-CD1 4.2Å; F465-L729 HydrophobicContact CZ-CD1 3.96Å; F725-L729 WeakPolarHBondContact O-CB 3.32Å; F725-L729 PolarHBondContact O-N 3.14Å; L726-L729 HydrophobicContact CD2-CD2 4.33Å; L726-L729 WeakPolarHBondContact O-CB 3.39Å; L726-L729 PolarHBondContact O-N 2.8Å; I727-L729 PolarHBondContact O-N 3.39Å
730	V	91.5	Very high	90.4	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.012	9%	0.086	C	C	.	.	H	α-helix	trans	-111	-4	-172.2	-58.7	0	0	0	0	115	W283 V662 I665 L726 I727 D732 D733	W283-V730 HydrophobicContact CH2-CG1 4.27Å; W283-V730 HydrophobicContact CZ3-CG1 4.23Å; V662-V730 HydrophobicContact CG2-CB 4.49Å; V662-V730 HydrophobicContact CG2-CG2 3.76Å; V662-V730 WeakPolarHBondContact CG2-O 3.31Å; I665-V730 HydrophobicContact CD1-CG2 3.96Å; L726-V730 WeakPolarHBondContact O-CG2 3.42Å; L726-V730 PolarHBondContact O-N 3.22Å; I727-V730 PolarHBondContact O-N 3.11Å; I727-V730 VanDerWaalsContact O-N 3.11Å; V730-D732 PolarHBondContact O-N 2.89Å; V730-D732 VanDerWaalsContact O-N 3.12Å; V730-D733 WeakPolarHBondContact CB-OD2 3.32Å; V730-D733 WeakPolarHBondContact O-CB 3.4Å; V730-D733 PolarHBondContact O-N 3.42Å; V730-D733 VanDerWaalsContact O-N 3.13Å
731	I	91.4	Very high	89.8	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.015	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.2	-168.9	-168.3	163.2	0	0	0	114	I512 Y647 V648 K651 I727	I512-I731 HydrophobicContact CD1-CG2 4.15Å; Y647-I731 HydrophobicContact CD1-CD1 3.53Å; Y647-I731 HydrophobicContact CD1-CG1 4.36Å; Y647-I731 HydrophobicContact CE1-CD1 3.6Å; Y647-I731 HydrophobicContact CE1-CG1 3.94Å; Y647-I731 HydrophobicContact CE1-CG2 4.25Å; V648-I731 HydrophobicContact CG2-CD1 4.2Å; K651-I731 PolarHBondContact NZ-O 2.96Å; I727-I731 HydrophobicContact CG2-CD1 4.39Å; I727-I731 WeakPolarHBondContact O-CA 3.37Å; I727-I731 VanDerWaalsContact O-CB 3.23Å; I727-I731 WeakPolarHBondContact O-CB 3.26Å; I727-I731 PolarHBondContact O-N 3.5Å
732	D	89.9	Confident	89.2	Confident	20 Å²	20	24.6 Å²	24.6	11%	0.107	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	21.3	-179.7	-62.7	-58.9	0	0	0	114.6	I458 I512 R513 Y647 K651 V730 D734 L735	I458-D732 HydrophobicContact CD1-CB 3.72Å; I512-D732 WeakPolarHBondContact CG2-OD2 3.49Å; R513-D732 IonicContact CZ-OD1 3.77Å; R513-D732 IonicContact NH2-OD1 2.71Å; R513-D732 PolarHBondContact NH2-OD1 3.26Å; Y647-D732 PolarHBondContact OH-OD1 3.49Å; Y647-D732 PolarHBondContact OH-OD2 3.15Å; K651-D732 IonicContact NZ-OD1 2.69Å; K651-D732 PolarHBondContact NZ-OD1 2.66Å; V730-D732 PolarHBondContact O-N 2.89Å; V730-D732 VanDerWaalsContact O-N 3.12Å; D732-D734 WeakPolarHBondContact CA-OD1 3.32Å; D732-D734 PolarHBondContact O-N 2.64Å; D732-D734 VanDerWaalsContact O-N 3.14Å; D732-L735 HydrophobicContact CB-CD1 4.2Å; D732-L735 PolarHBondContact O-N 3.39Å; D732-L735 VanDerWaalsContact O-N 3.1Å
733	D	86.9	Confident	88.5	Confident	14 Å²	14	24.4 Å²	24.4	8%	0.075	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-61.2	-20.2	175.5	-77.1	-9.6	0	0	0	113.1	R438 N659 V730 L735 V736	R438-D733 IonicContact CZ-OD1 3.68Å; R438-D733 IonicContact CZ-OD2 2.67Å; R438-D733 IonicContact NH1-OD1 3.27Å; R438-D733 PolarHBondContact NH1-OD1 2.89Å; R438-D733 IonicContact NH1-OD2 3.39Å; R438-D733 PolarHBondContact NH1-OD2 3.38Å; R438-D733 IonicContact NH2-OD1 3.7Å; R438-D733 PolarHBondContact NH2-OD1 2.88Å; R438-D733 VanDerWaalsContact NH2-OD1 3.1Å; R438-D733 IonicContact NH2-OD2 3.12Å; R438-D733 PolarHBondContact NH2-OD2 3.33Å; N659-D733 VanDerWaalsContact ND2-C 3.3Å; N659-D733 WeakPolarHBondContact ND2-CB 3.37Å; V730-D733 WeakPolarHBondContact CB-OD2 3.32Å; V730-D733 WeakPolarHBondContact O-CB 3.4Å; V730-D733 PolarHBondContact O-N 3.42Å; V730-D733 VanDerWaalsContact O-N 3.13Å; D733-L735 VanDerWaalsContact C-N 3.27Å; D733-L735 PolarHBondContact O-N 3.15Å; D733-V736 VanDerWaalsContact O-CG2 3.28Å; D733-V736 WeakPolarHBondContact O-CG2 3.43Å
734	D	85.8	Confident	87.9	Confident	30 Å²	30	25 Å²	25	16%	0.16	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-70.1	-23.7	176.5	58.2	-53.6	0	0	0	112.7	K651 H657 N659 D732	K651-D734 WeakPolarHBondContact CE-OD2 3.34Å; K651-D734 IonicContact NZ-OD1 3.26Å; K651-D734 PolarHBondContact NZ-OD1 2.99Å; K651-D734 IonicContact NZ-OD2 3.47Å; K651-D734 PolarHBondContact NZ-OD2 2.84Å; H657-D734 VanDerWaalsContact O-CG 3.25Å; N659-D734 WeakPolarHBondContact ND2-CA 3.34Å; N659-D734 PolarHBondContact ND2-N 3.33Å; D732-D734 WeakPolarHBondContact CA-OD1 3.32Å; D732-D734 PolarHBondContact O-N 2.64Å; D732-D734 VanDerWaalsContact O-N 3.14Å
735	L	85.7	Confident	87.2	Confident	9 Å²	9	24.5 Å²	24.5	5%	0.047	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-91.5	0.4	-175.1	-60.5	177	0	0	0	113.4	G457 I458 E656 D732 D733 N737 T738 I743	G457-L735 WeakPolarHBondContact CA-O 3.38Å; I458-L735 HydrophobicContact CD1-CD1 3.9Å; I458-L735 HydrophobicContact CG1-CD1 4.41Å; E656-L735 HydrophobicContact CG-CD2 4.22Å; D732-L735 HydrophobicContact CB-CD1 4.2Å; D732-L735 PolarHBondContact O-N 3.39Å; D732-L735 VanDerWaalsContact O-N 3.1Å; D733-L735 VanDerWaalsContact C-N 3.27Å; D733-L735 PolarHBondContact O-N 3.15Å; L735-N737 PolarHBondContact O-N 2.93Å; L735-N737 VanDerWaalsContact O-N 3.12Å; L735-T738 WeakPolarHBondContact O-CB 3.49Å; L735-T738 PolarHBondContact O-N 3.2Å; L735-I743 HydrophobicContact CB-CD1 4.25Å; L735-I743 HydrophobicContact CD1-CG2 4.09Å
736	V	83.2	Confident	86.4	Confident	28 Å²	28	25.2 Å²	25.2	17%	0.17	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.9	-172.7	172	0	0	0	0	113.6	D733	D733-V736 VanDerWaalsContact O-CG2 3.28Å; D733-V736 WeakPolarHBondContact O-CG2 3.43Å
737	N	81.3	Confident	86	Confident	29 Å²	29	26 Å²	26	16%	0.155	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	8.2	178.6	-57.2	-30.3	0	0	0	112.8	F294 V297 L301 Y456 L735	F294-N737 VanDerWaalsContact CD1-ND2 3.3Å; F294-N737 WeakPolarHBondContact CD1-ND2 3.36Å; V297-N737 HydrophobicContact CG1-CB 4.43Å; L301-N737 HydrophobicContact CD2-CB 4.48Å; Y456-N737 WeakPolarHBondContact CD1-O 3.18Å; L735-N737 PolarHBondContact O-N 2.93Å; L735-N737 VanDerWaalsContact O-N 3.12Å
738	T	84.1	Confident	85.5	Confident	35 Å²	35	26.4 Å²	26.4	22%	0.215	14%	0.142	C	C	.	.	S	Bend	trans	-88.3	133.6	178.8	-57.5	0	0	0	0	109	Y456 G457 L735 Q742 I743	Y456-T738 WeakPolarHBondContact CA-O 3.49Å; G457-T738 PolarHBondContact N-O 3.09Å; L735-T738 WeakPolarHBondContact O-CB 3.49Å; L735-T738 PolarHBondContact O-N 3.2Å; T738-Q742 HydrophobicContact CG2-CB 3.76Å; T738-I743 HydrophobicContact CG2-CD1 4.37Å; T738-I743 HydrophobicContact CG2-CG1 3.75Å
739	A	84.6	Confident	85.1	Confident	15 Å²	15	27.1 Å²	27.1	12%	0.124	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-67.5	144.8	-179.7	0	0	0	0	0	111	R455 Y456 D741 Q742	R455-A739 WeakPolarHBondContact O-CA 3.28Å; Y456-A739 HydrophobicContact CD1-CB 3.96Å; Y456-A739 HydrophobicContact CE1-CB 3.77Å; A739-D741 WeakPolarHBondContact CB-OD1 3.21Å; A739-D741 PolarHBondContact O-N 3.2Å; A739-D741 VanDerWaalsContact O-N 3.09Å; A739-Q742 HydrophobicContact CB-CG 4.46Å; A739-Q742 WeakPolarHBondContact O-CB 3.31Å; A739-Q742 PolarHBondContact O-N 2.91Å
740	H	83.2	Confident	84.6	Confident	10 Å²	10	28.1 Å²	28.1	5%	0.046	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-56.1	-28.6	-175.3	-74.8	178.2	0	0	0	113.7	V363 A364 Q453 A454 R455 Y456 G457 Q742	V363-H740 PolarHBondContact N-O 3.24Å; A364-H740 HydrophobicContact CB-CB 3.63Å; A364-H740 PolarHBondContact N-O 2.92Å; Q453-H740 PolarHBondContact O-CE1 3.12Å; A454-H740 PolarHBondContact O-CE1 3.22Å; A454-H740 PolarHBondContact O-ND1 3.05Å; R455-H740 PolarHBondContact O-CD2 3.44Å; R455-H740 PolarHBondContact O-N 2.77Å; Y456-H740 PolarHBondContact O-NE2 2.99Å; G457-H740 PolarHBondContact O-CD2 3.02Å; G457-H740 PolarHBondContact O-NE2 3.47Å; H740-Q742 VanDerWaalsContact C-N 3.29Å
741	D	82.1	Confident	84.2	Confident	98 Å²	98	29.7 Å²	29.7	52%	0.524	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-75.9	-15.7	178.5	65.6	-37.9	0	0	0	113.3	V362 A364 A739	V362-D741 WeakPolarHBondContact CG1-O 3.23Å; A364-D741 HydrophobicContact CB-CB 4.28Å; A739-D741 WeakPolarHBondContact CB-OD1 3.21Å; A739-D741 PolarHBondContact O-N 3.2Å; A739-D741 VanDerWaalsContact O-N 3.09Å
742	Q	83.4	Confident	83.7	Confident	132 Å²	132	31.5 Å²	31.5	62%	0.617	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-96.9	-8.7	178.1	-62.2	179.9	-3.7	0	0	113.2	T738 A739 H740 P744	T738-Q742 HydrophobicContact CG2-CB 3.76Å; A739-Q742 HydrophobicContact CB-CG 4.46Å; A739-Q742 WeakPolarHBondContact O-CB 3.31Å; A739-Q742 PolarHBondContact O-N 2.91Å; H740-Q742 VanDerWaalsContact C-N 3.29Å; Q742-P744 VanDerWaalsContact O-CD 3.3Å; Q742-P744 WeakPolarHBondContact O-CD 3.45Å
743	I	83.9	Confident	83.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-96.5	109.7	-176.8	-55.8	172.7	0	0	0	109.5	V362 V363 G457 I458 L735 T738	V362-I743 CarbonylContact C-O 3.57Å; V362-I743 WeakPolarHBondContact CA-O 3.35Å; V362-I743 WeakPolarHBondContact CB-O 3.44Å; V363-I743 HydrophobicContact CB-CB 4.11Å; V363-I743 HydrophobicContact CB-CG2 4.38Å; V363-I743 HydrophobicContact CG2-CB 3.74Å; V363-I743 HydrophobicContact CG2-CG2 3.48Å; V363-I743 VanDerWaalsContact CG2-CG2 3.48Å; V363-I743 PolarHBondContact N-O 2.89Å; G457-I743 VanDerWaalsContact O-CD1 3.25Å; G457-I743 WeakPolarHBondContact O-CD1 3.09Å; I458-I743 HydrophobicContact CG1-CD1 4.17Å; L735-I743 HydrophobicContact CB-CD1 4.25Å; L735-I743 HydrophobicContact CD1-CG2 4.09Å; T738-I743 HydrophobicContact CG2-CD1 4.37Å; T738-I743 HydrophobicContact CG2-CG1 3.75Å
744	P	83.5	Confident	83	Confident	26 Å²	26	33.7 Å²	33.7	17%	0.169	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-71.2	147	178.5	28.7	-34.7	0	0	0	112.6	R513 H654 E656 Q742	R513-P744 PolarHBondContact NH1-O 3.22Å; H654-P744 HydrophobicContact CB-CG 3.88Å; E656-P744 WeakPolarHBondContact OE1-CD 3.13Å; Q742-P744 VanDerWaalsContact O-CD 3.3Å; Q742-P744 WeakPolarHBondContact O-CD 3.45Å
745	V	78.8	Confident	82.8	Confident	10 Å²	10	34 Å²	34	6%	0.061	18%	0.183	C	C	.	.			trans	-103.1	120.9	173.4	178.1	0	0	0	0	109.2	L361 V363 L366 R513 H514	L361-V745 HydrophobicContact CB-CB 3.79Å; L361-V745 HydrophobicContact CB-CG1 4.4Å; L361-V745 HydrophobicContact CB-CG2 4.22Å; L361-V745 PolarHBondContact O-N 3.37Å; V363-V745 HydrophobicContact CG2-CG2 4.15Å; L366-V745 HydrophobicContact CD1-CB 4.49Å; L366-V745 HydrophobicContact CD1-CG1 3.97Å; L366-V745 HydrophobicContact CD1-CG2 3.87Å; R513-V745 HydrophobicContact CB-CG1 4.34Å; R513-V745 WeakPolarHBondContact O-CG1 3.42Å; R513-V745 WeakPolarHBondContact O-CG2 3.27Å; H514-V745 WeakPolarHBondContact NE2-CG1 3.49Å
746	F	79.8	Confident	82.5	Confident	16 Å²	16	36.3 Å²	36.3	7%	0.07	20%	0.195	C	C	.	.			trans	-123.9	0	-176.8	49.5	-104.5	0	0	0	114.6	R513 H514 R602 F646 Y647 M650	R513-F746 HydrophobicContact CG-CE1 4.31Å; R513-F746 HydrophobicContact CG-CE2 4.14Å; R513-F746 HydrophobicContact CG-CZ 4.02Å; H514-F746 PolarHBondContact CE1-O 2.86Å; R602-F746 PolarHBondContact NE-OXT 3.32Å; R602-F746 PolarHBondContact NH2-OXT 3.31Å; F646-F746 HydrophobicContact CE1-CD2 4.09Å; F646-F746 HydrophobicContact CZ-CD2 4.39Å; Y647-F746 AromaticContact CD2-CE2 3.62Å; Y647-F746 HydrophobicContact CD2-CE2 3.62Å; Y647-F746 HydrophobicContact CD2-CZ 4.09Å; Y647-F746 AromaticContact CE2-CE2 3.76Å; Y647-F746 HydrophobicContact CE2-CE2 3.76Å; Y647-F746 AromaticContact CE2-CZ 3.85Å; Y647-F746 HydrophobicContact CE2-CZ 3.85Å; Y647-F746 HydrophobicContact CG-CE2 4.19Å; M650-F746 HydrophobicContact CB-CB 4.21Å; M650-F746 HydrophobicContact CB-CD1 3.87Å; M650-F746 HydrophobicContact CB-CD2 3.45Å; M650-F746 VanDerWaalsContact CB-CD2 3.45Å; M650-F746 HydrophobicContact CB-CE1 4Å; M650-F746 HydrophobicContact CB-CE2 3.61Å; M650-F746 HydrophobicContact CB-CG 3.58Å; M650-F746 HydrophobicContact CB-CZ 3.87Å; M650-F746 HydrophobicContact CE-CB 3.37Å; M650-F746 HydrophobicContact CE-CG 4.08Å; M650-F746 HydrophobicContact CG-CB 4.23Å; M650-F746 HydrophobicContact CG-CD2 3.86Å; M650-F746 HydrophobicContact CG-CE2 4.39Å; M650-F746 HydrophobicContact CG-CG 4.06Å

Retrieved 746 of 746 residues in 746.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).