A0A024R694_HUMAN Loading...

F-actin cross-linking protein

AlphaFold DB (P12814), UniProt , Accession A0A024R694, Species HUMAN (Homo sapiens, Human), Gene ACTN1, Length 892 aa.

						>A0A024R694_HUMAN|A0A024R694|ACTN1
MDHYDSQQTNDYMQPEEDWDRDLLLDPAWEKQQRKTFTAWCNSHLRKAGTQIENIEEDFRDGLKLMLLLEVISGERLAKPERGKMRVHKISNVNKALDFIASKGVKLVSIGAEEIVDGNVKMTLGMIWTIILRFAIQDISVEETSAKEGLLLWCQRKTAPYKNVNIQNFHISWKDGLGFCALIHRHRPELIDYGKLRKDDPLTNLNTAFDVAEKYLDIPKMLDAEDIVGTARPDEKAIMTYVSSFYHAFSGAQKAETAANRICKVLAVNQENEQLMEDYEKLASDLLEWIRRTIPWLENRVPENTMHAMQQKLEDFRDYRRLHKPPKVQEKCQLEINFNTLQTKLRLSNRPAFMPSEGRMVSDINNAWGCLEQVEKGYEEWLLNEIRRLERLDHLAEKFRQKASIHEAWTDGKEAMLRQKDYETATLSEIKALLKKHEAFESDLAAHQDRVEQIAAIAQELNELDYYDSPSVNARCQKICDQWDNLGALTQKRREALERTEKLLETIDQLYLEYAKRAAPFNNWMEGAMEDLQDTFIVHTIEEIQGLTTAHEQFKATLPDADKERLAILGIHNEVSKIVQTYHVNMAGTNPYTTITPQEINGKWDHVRQLVPRRDQALTEEHARQQHNERLRKQFGAQANVIGPWIQTKMEEIGRISIEMHGTLEDQLSHLRQYEKSIVNYKPKIDQLEGDHQLIQEALIFDNKHTNYTMEHIRVGWEQLLTTIARTINEVENQILTRDAKGISQEQMNEFRASFNHFDRDHSGTLGPEEFKACLISLGYDIGNDPQGEAEFARIMSIVDPNRLGVVTFQAFIDFMSRETADTDTADQVMASFKILAGDKNYITMDELRRELPPDQAEYCIARMAPYTGPDSVPGALDYMSFSTALYGESDL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	31.8	Very low	232 Å²	232	163.5 Å²	163.5	100%	1.143	83%	0.826	S	S	*	*				0	93.1	0	-69.5	170.6	178.6	0	0	105.3
2	D	35.6	Very low	31.6	Very low	141 Å²	141	167.4 Å²	167.4	75%	0.754	83%	0.826	S	S	*	*			cis	-139	151.9	17.7	-64	-43.2	0	0	0	113.2
3	H	32.1	Very low	31.4	Very low	191 Å²	191	168.2 Å²	168.2	88%	0.884	83%	0.83	S	S	*	*			trans	-75.8	129.1	165	-82.1	-83.2	0	0	0	108.4
4	Y	36.2	Very low	31.2	Very low	232 Å²	232	168.3 Å²	168.3	91%	0.91	83%	0.827	S	S	*	*			trans	-105.1	118.3	154.2	-101.4	-90.9	0	0	0	108
5	D	35.1	Very low	31.3	Very low	125 Å²	125	163.5 Å²	163.5	67%	0.668	81%	0.814	S	S	*	*			trans	-89.2	142.5	-166.7	-159.8	0.5	0	0	0	111.3	Q7	D5-Q7 PolarHBondContact O-N 3.14Å
6	S	28.8	Very low	31.4	Very low	114 Å²	114	164 Å²	164	80%	0.797	81%	0.813	S	S	*	*			trans	-85.9	88.6	-177.7	52.5	0	0	0	0	110.6
7	Q	28	Very low	31.3	Very low	148 Å²	148	165.3 Å²	165.3	69%	0.692	82%	0.816	S	S	*	*			trans	-130.6	86.1	170.5	-69	-172	5.1	0	0	111.7	D5	D5-Q7 PolarHBondContact O-N 3.14Å
8	Q	31.2	Very low	31.4	Very low	206 Å²	206	164.1 Å²	164.1	96%	0.963	81%	0.814	S	S	*	*			trans	-116.5	80	154	-83.7	-171.2	-18.9	0	0	108.6
9	T	27.9	Very low	31.8	Very low	115 Å²	115	164.4 Å²	164.4	71%	0.706	81%	0.805	S	S	*	*			trans	-108.2	127.7	174.6	48.6	0	0	0	0	110.1
10	N	28.4	Very low	32	Very low	149 Å²	149	162.3 Å²	162.3	80%	0.797	80%	0.797	S	S	*	*			trans	48.1	85.8	164.9	-77.1	-8.8	0	0	0	117.2
11	D	28.5	Very low	32.2	Very low	145 Å²	145	165.6 Å²	165.6	78%	0.775	80%	0.801	S	S	*	*			trans	-115.3	50.5	150.6	-150	6.2	0	0	0	109.8
12	Y	30	Very low	32.1	Very low	211 Å²	211	162 Å²	162	83%	0.827	79%	0.787	S	S	*	*			trans	-101.1	131.1	172.3	-90	-83.8	0	0	0	109.6
13	M	28.9	Very low	32.4	Very low	177 Å²	177	162 Å²	162	87%	0.872	79%	0.786	S	S	*	*			trans	71.5	73.2	178.7	-51.1	-168.5	-173.8	0	0	116.6
14	Q	27.7	Very low	33.2	Very low	170 Å²	170	160.2 Å²	160.2	79%	0.794	78%	0.782	S	S	*	*			trans	-85.7	116	138	-67.8	-169.2	18.9	0	0	108.5
15	P	32.5	Very low	34.1	Very low	96 Å²	96	151.5 Å²	151.5	62%	0.623	75%	0.751	S	S	*	*			trans	-70.7	137.4	165.2	-7.3	24.3	0	0	0	108.8	E17	P15-E17 PolarHBondContact O-N 3.06Å
16	E	34	Very low	35.6	Very low	172 Å²	172	149 Å²	149	80%	0.804	74%	0.737	S	S	*	*			trans	-59.2	104.7	170	-68.6	179.2	140.2	0	0	109.6	D18	E16-D18 PolarHBondContact O-N 2.97Å
17	E	29.3	Very low	37.9	Very low	186 Å²	186	148.1 Å²	148.1	87%	0.869	73%	0.729	S	S	*	*			trans	-77.8	35.8	177.8	-69	-160.5	136.2	0	0	113.2	P15 W19	P15-E17 PolarHBondContact O-N 3.06Å; E17-W19 VanDerWaalsContact C-N 3.29Å; E17-W19 PolarHBondContact O-N 3.45Å; E17-W19 VanDerWaalsContact O-N 3.13Å
18	D	33.8	Very low	40.1	Very low	144 Å²	144	142.6 Å²	142.6	77%	0.77	71%	0.709	S	S	*	*			trans	-88.8	61.9	174	-87.3	-10.6	0	0	0	111.5	E16 D20	E16-D18 PolarHBondContact O-N 2.97Å; D18-D20 VanDerWaalsContact C-N 3.31Å
19	W	37.5	Very low	42.5	Very low	170 Å²	170	136.3 Å²	136.3	64%	0.644	68%	0.676	S	S	*	*			trans	-99.7	58.7	158.2	-81.1	54.1	0	0	0	109.2	E17 R21 V108	E17-W19 VanDerWaalsContact C-N 3.29Å; E17-W19 PolarHBondContact O-N 3.45Å; E17-W19 VanDerWaalsContact O-N 3.13Å; W19-R21 PolarHBondContact O-N 3.19Å; W19-V108 HydrophobicContact CH2-CB 4.25Å; W19-V108 WeakPolarHBondContact CH2-O 3.34Å; W19-V108 HydrophobicContact CZ2-CB 4.43Å
20	D	37.1	Very low	45.1	Very low	122 Å²	122	132.4 Å²	132.4	65%	0.652	65%	0.65	S	S	*	*			trans	-64.9	106.6	-177.6	-157.4	11	0	0	0	109.9	D18 D22	D18-D20 VanDerWaalsContact C-N 3.31Å; D20-D22 PolarHBondContact O-N 3Å; D20-D22 VanDerWaalsContact O-N 3.13Å
21	R	35.6	Very low	47.8	Very low	231 Å²	231	129.9 Å²	129.9	87%	0.872	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	6.5	-154.2	-154.2	-172.3	-81.1	-165.6	-4.3	114.3	W19	W19-R21 PolarHBondContact O-N 3.19Å
22	D	35.9	Very low	50.5	Low	158 Å²	158	123.3 Å²	123.3	85%	0.845	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	5.4	-170.2	-88.2	-41.4	0	0	0	115.9	D20	D20-D22 PolarHBondContact O-N 3Å; D20-D22 VanDerWaalsContact O-N 3.13Å
23	L	42.3	Very low	53.4	Low	140 Å²	140	113.8 Å²	113.8	73%	0.733	56%	0.559	S	S	*	*			trans	-85.1	119.1	166.1	-93	83.6	0	0	0	111.9	L25	L23-L25 PolarHBondContact O-N 3.46Å
24	L	48.4	Very low	56.3	Low	154 Å²	154	108.4 Å²	108.4	81%	0.806	53%	0.529	S	S	*	.			trans	-56	109.6	163.6	-137.5	91.4	0	0	0	108.2	D26	L24-D26 PolarHBondContact O-N 3.35Å; L24-D26 VanDerWaalsContact O-N 3.08Å
25	L	56.4	Low	59.2	Low	49 Å²	49	104 Å²	104	26%	0.257	51%	0.508	S	S	.	.			trans	-47.8	120.7	172	-172.3	75.2	0	0	0	108.8	L23 P27 W29 E30 K121	L23-L25 PolarHBondContact O-N 3.46Å; L25-P27 WeakPolarHBondContact O-CD 3.42Å; L25-W29 HydrophobicContact CD1-CE3 4.45Å; L25-E30 HydrophobicContact CD2-CB 3.86Å; L25-E30 HydrophobicContact CD2-CG 3.94Å; L25-K121 HydrophobicContact CD2-CG 4.34Å
26	D	66.5	Low	62	Low	72 Å²	72	99.5 Å²	99.5	39%	0.385	48%	0.478	S	S	.	.			trans	-57	124.7	-177.3	-171.3	-33	0	0	0	108.7	L24 A28 W29 E30	L24-D26 PolarHBondContact O-N 3.35Å; L24-D26 VanDerWaalsContact O-N 3.08Å; D26-A28 PolarHBondContact O-N 3.45Å; D26-A28 VanDerWaalsContact OD1-CB 3.28Å; D26-A28 WeakPolarHBondContact OD1-CB 3.27Å; D26-A28 PolarHBondContact OD1-N 3.48Å; D26-W29 HydrophobicContact CB-CB 4.26Å; D26-W29 HydrophobicContact CB-CD2 4.09Å; D26-W29 HydrophobicContact CB-CE3 4.43Å; D26-W29 HydrophobicContact CB-CG 4.01Å; D26-W29 WeakPolarHBondContact O-CA 3.37Å; D26-W29 WeakPolarHBondContact O-CB 3.31Å; D26-W29 PolarHBondContact O-N 2.75Å; D26-E30 PolarHBondContact O-N 2.78Å
27	P	75.6	Confident	64.9	Low	95 Å²	95	91.3 Å²	91.3	62%	0.617	44%	0.44	S	S	*	.	H	α-helix	trans	-53.2	-27.2	176.5	-28	36.1	0	0	0	113.7	L25 K31	L25-P27 WeakPolarHBondContact O-CD 3.42Å; P27-K31 WeakPolarHBondContact O-CB 3.32Å; P27-K31 PolarHBondContact O-N 2.99Å; P27-K31 VanDerWaalsContact O-N 3.07Å
28	A	74.4	Confident	67.9	Low	33 Å²	33	83.5 Å²	83.5	27%	0.273	41%	0.405	S	S	.	.	H	α-helix	trans	-67.1	-43.3	172.2	0	0	0	0	0	112.4	D26 K31 Q32 T230	D26-A28 PolarHBondContact O-N 3.45Å; D26-A28 VanDerWaalsContact OD1-CB 3.28Å; D26-A28 WeakPolarHBondContact OD1-CB 3.27Å; D26-A28 PolarHBondContact OD1-N 3.48Å; A28-K31 PolarHBondContact O-N 2.66Å; A28-Q32 WeakPolarHBondContact O-CB 3.46Å; A28-Q32 PolarHBondContact O-N 3.46Å; A28-T230 HydrophobicContact CB-CG2 4.39Å
29	W	81.7	Confident	70.7	Confident	73 Å²	73	77.6 Å²	77.6	28%	0.277	38%	0.376	S	S	.	.	H	α-helix	trans	-68.3	-40.2	175.9	-67.2	-6.2	0	0	0	111.8	L25 D26 K31 Q32 Q33 R232 D234	L25-W29 HydrophobicContact CD1-CE3 4.45Å; D26-W29 HydrophobicContact CB-CB 4.26Å; D26-W29 HydrophobicContact CB-CD2 4.09Å; D26-W29 HydrophobicContact CB-CE3 4.43Å; D26-W29 HydrophobicContact CB-CG 4.01Å; D26-W29 WeakPolarHBondContact O-CA 3.37Å; D26-W29 WeakPolarHBondContact O-CB 3.31Å; D26-W29 PolarHBondContact O-N 2.75Å; W29-K31 VanDerWaalsContact C-N 3.33Å; W29-K31 PolarHBondContact O-N 2.75Å; W29-Q32 PolarHBondContact O-N 3.17Å; W29-Q33 WeakPolarHBondContact O-CB 3.37Å; W29-Q33 WeakPolarHBondContact O-CG 3.02Å; W29-Q33 PolarHBondContact O-N 2.97Å; W29-R232 HydrophobicContact CZ2-CG 4.47Å; W29-R232 PolarHBondContact NE1-O 3.33Å; W29-D234 HydrophobicContact CB-CB 4.38Å; W29-D234 HydrophobicContact CG-CB 4.22Å
30	E	83.1	Confident	73.4	Confident	33 Å²	33	69.7 Å²	69.7	15%	0.154	35%	0.346	C	S	.	.	H	α-helix	trans	-60.6	-44.5	175.2	-160.6	-171.2	112	0	0	110.9	L25 D26 Q32 R34 V120 L124	L25-E30 HydrophobicContact CD2-CB 3.86Å; L25-E30 HydrophobicContact CD2-CG 3.94Å; D26-E30 PolarHBondContact O-N 2.78Å; E30-Q32 PolarHBondContact O-N 3.14Å; E30-R34 WeakPolarHBondContact O-CB 2.82Å; E30-R34 WeakPolarHBondContact O-CD 3.22Å; E30-R34 WeakPolarHBondContact O-CG 3.08Å; E30-R34 PolarHBondContact O-N 3.45Å; E30-R34 IonicContact OE1-CZ 3.01Å; E30-R34 VanDerWaalsContact OE1-CZ 3.29Å; E30-R34 IonicContact OE1-NE 3.57Å; E30-R34 PolarHBondContact OE1-NE 2.69Å; E30-R34 IonicContact OE1-NH2 3.66Å; E30-R34 PolarHBondContact OE1-NH2 2.91Å; E30-V120 WeakPolarHBondContact OE1-CG1 3.42Å; E30-L124 HydrophobicContact CG-CD1 3.69Å
31	K	85.1	Confident	76.1	Confident	97 Å²	97	63.9 Å²	63.9	42%	0.422	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-44.1	174	-175.4	-164.3	174.8	-156.2	0	112	P27 A28 W29 K35 D226	P27-K31 WeakPolarHBondContact O-CB 3.32Å; P27-K31 PolarHBondContact O-N 2.99Å; P27-K31 VanDerWaalsContact O-N 3.07Å; A28-K31 PolarHBondContact O-N 2.66Å; W29-K31 VanDerWaalsContact C-N 3.33Å; W29-K31 PolarHBondContact O-N 2.75Å; K31-K35 PolarHBondContact O-N 3.1Å; K31-D226 IonicContact NZ-OD1 2.89Å; K31-D226 PolarHBondContact NZ-OD1 2.76Å; K31-D226 IonicContact NZ-OD2 2.74Å; K31-D226 PolarHBondContact NZ-OD2 3.04Å
32	Q	85.7	Confident	78.8	Confident	6 Å²	6	54.6 Å²	54.6	3%	0.028	28%	0.283	C	S	.	.	H	α-helix	trans	-66.8	-48.3	-179.5	-166.7	173.4	4.3	0	0	111.3	A28 W29 E30 R34 K35 T36 D234 A237	A28-Q32 WeakPolarHBondContact O-CB 3.46Å; A28-Q32 PolarHBondContact O-N 3.46Å; W29-Q32 PolarHBondContact O-N 3.17Å; E30-Q32 PolarHBondContact O-N 3.14Å; Q32-R34 PolarHBondContact O-N 3.46Å; Q32-K35 PolarHBondContact O-N 3.18Å; Q32-T36 PolarHBondContact O-N 3.33Å; Q32-T36 PolarHBondContact O-OG1 3.11Å; Q32-T36 VanDerWaalsContact O-OG1 3.04Å; Q32-D234 HydrophobicContact CB-CB 4.31Å; Q32-D234 HydrophobicContact CG-CB 4.31Å; Q32-A237 HydrophobicContact CG-CB 3.94Å
33	Q	89.6	Confident	81.4	Confident	11 Å²	11	47.7 Å²	47.7	5%	0.051	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-43.8	176.3	-71.9	-179.6	22.1	0	0	112.1	W29 K35 T36 F37 L124 D234	W29-Q33 WeakPolarHBondContact O-CB 3.37Å; W29-Q33 WeakPolarHBondContact O-CG 3.02Å; W29-Q33 PolarHBondContact O-N 2.97Å; Q33-K35 VanDerWaalsContact C-N 3.33Å; Q33-K35 PolarHBondContact O-N 2.95Å; Q33-T36 PolarHBondContact O-N 3.21Å; Q33-F37 HydrophobicContact CB-CD2 4.22Å; Q33-F37 HydrophobicContact CB-CE2 3.92Å; Q33-F37 HydrophobicContact CB-CZ 4.17Å; Q33-F37 HydrophobicContact CG-CE2 4.16Å; Q33-F37 HydrophobicContact CG-CZ 4Å; Q33-F37 VanDerWaalsContact O-CB 3.26Å; Q33-F37 WeakPolarHBondContact O-CB 3.35Å; Q33-F37 VanDerWaalsContact O-CG 3.27Å; Q33-F37 WeakPolarHBondContact O-CG 3.07Å; Q33-F37 PolarHBondContact O-N 2.73Å; Q33-L124 HydrophobicContact CB-CD1 4.31Å; Q33-L124 HydrophobicContact CB-CD2 4.33Å; Q33-D234 WeakPolarHBondContact CG-OD2 3.46Å; Q33-D234 PolarHBondContact NE2-OD1 3.09Å; Q33-D234 PolarHBondContact NE2-OD2 3.39Å
34	R	90.1	Very high	83.7	Confident	64 Å²	64	42.9 Å²	42.9	24%	0.242	22%	0.221	C	C	.	.	H	α-helix	trans	-50.4	-52	174.6	-78.7	164.7	176.5	-99.5	4.6	111.1	E30 Q32 T38 I55 E56 V120 L124	E30-R34 WeakPolarHBondContact O-CB 2.82Å; E30-R34 WeakPolarHBondContact O-CD 3.22Å; E30-R34 WeakPolarHBondContact O-CG 3.08Å; E30-R34 PolarHBondContact O-N 3.45Å; E30-R34 IonicContact OE1-CZ 3.01Å; E30-R34 VanDerWaalsContact OE1-CZ 3.29Å; E30-R34 IonicContact OE1-NE 3.57Å; E30-R34 PolarHBondContact OE1-NE 2.69Å; E30-R34 IonicContact OE1-NH2 3.66Å; E30-R34 PolarHBondContact OE1-NH2 2.91Å; Q32-R34 PolarHBondContact O-N 3.46Å; R34-T38 VanDerWaalsContact O-CB 3.25Å; R34-T38 WeakPolarHBondContact O-CB 3.2Å; R34-T38 PolarHBondContact O-N 3.27Å; R34-T38 VanDerWaalsContact O-N 3.1Å; R34-T38 PolarHBondContact O-OG1 3.19Å; R34-I55 HydrophobicContact CG-CG2 4.42Å; R34-E56 IonicContact CZ-OE1 2.66Å; R34-E56 IonicContact CZ-OE2 3.56Å; R34-E56 IonicContact NH1-OE1 3.82Å; R34-E56 PolarHBondContact NH1-OE1 2.81Å; R34-E56 IonicContact NH1-OE2 3.9Å; R34-E56 PolarHBondContact NH1-OE2 2.83Å; R34-E56 IonicContact NH2-OE1 3.89Å; R34-E56 IonicContact NH2-OE2 3.89Å; R34-E56 PolarHBondContact NH2-OE2 3.01Å; R34-V120 HydrophobicContact CG-CG2 4.42Å; R34-L124 HydrophobicContact CG-CD1 4.14Å; R34-L124 HydrophobicContact CG-CD2 4.2Å
35	K	89	Confident	85.8	Confident	78 Å²	78	35.6 Å²	35.6	34%	0.339	18%	0.183	S	C	.	.	H	α-helix	trans	-63.1	-53.7	179.8	-71.2	178.2	170.6	-172.7	0	112	K31 Q32 Q33 F37 T38 A39 D223 D226	K31-K35 PolarHBondContact O-N 3.1Å; Q32-K35 PolarHBondContact O-N 3.18Å; Q33-K35 VanDerWaalsContact C-N 3.33Å; Q33-K35 PolarHBondContact O-N 2.95Å; K35-F37 PolarHBondContact O-N 3.42Å; K35-T38 PolarHBondContact O-N 3.34Å; K35-A39 WeakPolarHBondContact O-CB 3.39Å; K35-A39 PolarHBondContact O-N 3.22Å; K35-D223 VanDerWaalsContact CD-OD2 3.28Å; K35-D223 WeakPolarHBondContact CD-OD2 3.38Å; K35-D223 WeakPolarHBondContact CE-OD2 3.3Å; K35-D223 IonicContact NZ-OD2 2.71Å; K35-D223 PolarHBondContact NZ-OD2 3Å; K35-D226 IonicContact NZ-OD2 2.85Å; K35-D226 PolarHBondContact NZ-OD2 2.78Å
36	T	91.1	Very high	87.4	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-44.3	-174.2	-50.8	0	0	0	0	112.4	Q32 Q33 A39 W40 M221 L222 A237 T240	Q32-T36 PolarHBondContact O-N 3.33Å; Q32-T36 PolarHBondContact O-OG1 3.11Å; Q32-T36 VanDerWaalsContact O-OG1 3.04Å; Q33-T36 PolarHBondContact O-N 3.21Å; T36-A39 PolarHBondContact O-N 2.76Å; T36-W40 WeakPolarHBondContact O-CB 3.29Å; T36-W40 PolarHBondContact O-N 3.04Å; T36-M221 WeakPolarHBondContact CA-O 3.46Å; T36-M221 WeakPolarHBondContact CB-O 3.15Å; T36-M221 HydrophobicContact CG2-CB 3.67Å; T36-M221 PolarHBondContact OG1-O 3.49Å; T36-L222 HydrophobicContact CG2-CD2 4.2Å; T36-L222 WeakPolarHBondContact OG1-CD2 3.39Å; T36-A237 HydrophobicContact CG2-CB 4.12Å; T36-A237 WeakPolarHBondContact CG2-O 3.43Å; T36-T240 HydrophobicContact CG2-CG2 4.18Å
37	F	94.4	Very high	88.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-71.1	-33.6	179.8	-62.8	-7	0	0	0	111.6	Q33 K35 W40 C41 I55 L124 I127 W128 I131 K236	Q33-F37 HydrophobicContact CB-CD2 4.22Å; Q33-F37 HydrophobicContact CB-CE2 3.92Å; Q33-F37 HydrophobicContact CB-CZ 4.17Å; Q33-F37 HydrophobicContact CG-CE2 4.16Å; Q33-F37 HydrophobicContact CG-CZ 4Å; Q33-F37 VanDerWaalsContact O-CB 3.26Å; Q33-F37 WeakPolarHBondContact O-CB 3.35Å; Q33-F37 VanDerWaalsContact O-CG 3.27Å; Q33-F37 WeakPolarHBondContact O-CG 3.07Å; Q33-F37 PolarHBondContact O-N 2.73Å; K35-F37 PolarHBondContact O-N 3.42Å; F37-W40 PolarHBondContact O-N 3.41Å; F37-C41 WeakPolarHBondContact O-CB 3.36Å; F37-C41 PolarHBondContact O-N 2.8Å; F37-C41 PolarHBondContact O-SG 2.65Å; F37-I55 HydrophobicContact CB-CD1 3.67Å; F37-L124 HydrophobicContact CD2-CB 4.4Å; F37-L124 HydrophobicContact CD2-CD2 3.75Å; F37-L124 HydrophobicContact CE2-CB 4.37Å; F37-L124 HydrophobicContact CE2-CD2 4.4Å; F37-I127 HydrophobicContact CB-CG2 3.82Å; F37-I127 HydrophobicContact CD2-CB 4.34Å; F37-I127 HydrophobicContact CD2-CG2 4.19Å; F37-I127 HydrophobicContact CG-CG2 4.1Å; F37-W128 HydrophobicContact CE1-CE3 4.14Å; F37-W128 HydrophobicContact CE2-CB 3.98Å; F37-W128 HydrophobicContact CZ-CB 4.02Å; F37-W128 HydrophobicContact CZ-CD2 4.49Å; F37-W128 AromaticContact CZ-CE3 3.87Å; F37-W128 HydrophobicContact CZ-CE3 3.87Å; F37-I131 HydrophobicContact CB-CD1 4.47Å; F37-I131 HydrophobicContact CD1-CD1 3.46Å; F37-I131 VanDerWaalsContact CD1-CD1 3.46Å; F37-I131 HydrophobicContact CE1-CD1 3.81Å; F37-I131 HydrophobicContact CG-CD1 3.95Å; F37-K236 HydrophobicContact CE1-CB 4.43Å; F37-K236 HydrophobicContact CZ-CB 4.01Å
38	T	93.5	Very high	88.6	Confident	22 Å²	22	39.8 Å²	39.8	14%	0.135	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-48.4	172.6	-57.5	0	0	0	0	110.9	R34 K35 W40 C41 N42 I52	R34-T38 VanDerWaalsContact O-CB 3.25Å; R34-T38 WeakPolarHBondContact O-CB 3.2Å; R34-T38 PolarHBondContact O-N 3.27Å; R34-T38 VanDerWaalsContact O-N 3.1Å; R34-T38 PolarHBondContact O-OG1 3.19Å; K35-T38 PolarHBondContact O-N 3.34Å; T38-W40 PolarHBondContact O-N 2.86Å; T38-C41 PolarHBondContact O-N 2.8Å; T38-N42 WeakPolarHBondContact O-CB 3.49Å; T38-N42 PolarHBondContact O-N 3.1Å; T38-N42 PolarHBondContact O-ND2 3.3Å; T38-I52 HydrophobicContact CG2-CD1 4.04Å; T38-I52 HydrophobicContact CG2-CG1 3.96Å
39	A	91.7	Very high	89.2	Confident	20 Å²	20	41.7 Å²	41.7	17%	0.165	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-40.5	177.8	0	0	0	0	0	112.4	K35 T36 N42 S43 M221	K35-A39 WeakPolarHBondContact O-CB 3.39Å; K35-A39 PolarHBondContact O-N 3.22Å; T36-A39 PolarHBondContact O-N 2.76Å; A39-N42 PolarHBondContact O-N 3.41Å; A39-S43 PolarHBondContact O-N 3.34Å; A39-M221 HydrophobicContact CB-CB 3.92Å; A39-M221 HydrophobicContact CB-CG 3.86Å
40	W	93.8	Very high	89.7	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-49.4	174.5	-177.7	83.1	0	0	0	112	T36 F37 T38 N42 S43 H44 L68 I72 I130 I131 A135 M221 T240	T36-W40 WeakPolarHBondContact O-CB 3.29Å; T36-W40 PolarHBondContact O-N 3.04Å; F37-W40 PolarHBondContact O-N 3.41Å; T38-W40 PolarHBondContact O-N 2.86Å; W40-N42 VanDerWaalsContact C-N 3.28Å; W40-N42 PolarHBondContact O-N 3.36Å; W40-S43 WeakPolarHBondContact O-CB 3.37Å; W40-S43 PolarHBondContact O-N 3.43Å; W40-S43 VanDerWaalsContact O-N 3.08Å; W40-S43 PolarHBondContact O-OG 3.22Å; W40-H44 AromaticContact CE2-CD2 3.68Å; W40-H44 AromaticContact CE2-NE2 3.51Å; W40-H44 AromaticContact CZ2-CD2 3.75Å; W40-H44 AromaticContact CZ2-NE2 3.48Å; W40-H44 WeakPolarHBondContact CZ2-NE2 3.38Å; W40-H44 AromaticContact NE1-CD2 3.99Å; W40-H44 AromaticContact NE1-NE2 3.56Å; W40-H44 PolarHBondContact O-CD2 3.21Å; W40-H44 PolarHBondContact O-N 3.07Å; W40-L68 HydrophobicContact CZ3-CD1 4.46Å; W40-L68 HydrophobicContact CZ3-CD2 4.31Å; W40-I72 HydrophobicContact CH2-CD1 4.38Å; W40-I72 HydrophobicContact CH2-CG2 4.19Å; W40-I130 HydrophobicContact CH2-CG2 4.11Å; W40-I130 HydrophobicContact CZ3-CG2 4.34Å; W40-I131 HydrophobicContact CD2-CD1 3.97Å; W40-I131 HydrophobicContact CD2-CG1 3.58Å; W40-I131 HydrophobicContact CE3-CD1 3.84Å; W40-I131 HydrophobicContact CE3-CG1 3.45Å; W40-I131 VanDerWaalsContact CE3-CG1 3.45Å; W40-I131 HydrophobicContact CG-CD1 4.29Å; W40-I131 HydrophobicContact CG-CG1 4.31Å; W40-I131 HydrophobicContact CH2-CG1 3.81Å; W40-I131 HydrophobicContact CZ2-CG1 3.93Å; W40-I131 HydrophobicContact CZ3-CD1 4.37Å; W40-I131 HydrophobicContact CZ3-CG1 3.57Å; W40-A135 HydrophobicContact CZ2-CB 4.26Å; W40-M221 HydrophobicContact CB-SD 3.84Å; W40-M221 HydrophobicContact CG-SD 4.41Å; W40-T240 HydrophobicContact CB-CG2 3.85Å; W40-T240 HydrophobicContact CG-CG2 3.7Å
41	C	94.1	Very high	90.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.4	-43.1	174.8	-72.2	0	0	0	0	111.5	F37 T38 S43 H44 L45 I52 F59 L68	F37-C41 WeakPolarHBondContact O-CB 3.36Å; F37-C41 PolarHBondContact O-N 2.8Å; F37-C41 PolarHBondContact O-SG 2.65Å; T38-C41 PolarHBondContact O-N 2.8Å; C41-S43 VanDerWaalsContact C-N 3.35Å; C41-S43 PolarHBondContact O-N 2.99Å; C41-H44 PolarHBondContact O-N 2.9Å; C41-L45 WeakPolarHBondContact O-CB 3.32Å; C41-L45 WeakPolarHBondContact O-CG 3.43Å; C41-L45 PolarHBondContact O-N 3.4Å; C41-I52 HydrophobicContact CB-CD1 3.76Å; C41-I52 HydrophobicContact CB-CG1 4.25Å; C41-F59 HydrophobicContact CB-CZ 4.22Å; C41-L68 HydrophobicContact CB-CD2 4.29Å; C41-L68 VanDerWaalsContact SG-CD2 3.57Å
42	N	93.4	Very high	90.5	Very high	37 Å²	37	40 Å²	40	20%	0.198	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-31.8	177.1	-74.1	-19.6	0	0	0	113.4	T38 A39 W40 H44 L45 R46 Q51 I52	T38-N42 WeakPolarHBondContact O-CB 3.49Å; T38-N42 PolarHBondContact O-N 3.1Å; T38-N42 PolarHBondContact O-ND2 3.3Å; A39-N42 PolarHBondContact O-N 3.41Å; W40-N42 VanDerWaalsContact C-N 3.28Å; W40-N42 PolarHBondContact O-N 3.36Å; N42-H44 PolarHBondContact O-N 3.39Å; N42-L45 PolarHBondContact O-N 3.16Å; N42-R46 WeakPolarHBondContact O-CB 3.07Å; N42-R46 WeakPolarHBondContact O-CG 3.43Å; N42-R46 PolarHBondContact O-N 2.84Å; N42-Q51 WeakPolarHBondContact OD1-CA 3.09Å; N42-I52 PolarHBondContact ND2-O 3.03Å; N42-I52 VanDerWaalsContact OD1-CG1 3.27Å; N42-I52 WeakPolarHBondContact OD1-CG1 3.26Å; N42-I52 PolarHBondContact OD1-N 3.42Å; N42-I52 PolarHBondContact OD1-O 3.47Å
43	S	90.4	Very high	90.8	Very high	13 Å²	13	47.5 Å²	47.5	9%	0.091	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-28.6	174.8	84.7	0	0	0	0	113.3	A39 W40 C41 R46	A39-S43 PolarHBondContact O-N 3.34Å; W40-S43 WeakPolarHBondContact O-CB 3.37Å; W40-S43 PolarHBondContact O-N 3.43Å; W40-S43 VanDerWaalsContact O-N 3.08Å; W40-S43 PolarHBondContact O-OG 3.22Å; C41-S43 VanDerWaalsContact C-N 3.35Å; C41-S43 PolarHBondContact O-N 2.99Å; S43-R46 WeakPolarHBondContact O-CG 3.49Å; S43-R46 PolarHBondContact O-NE 3.26Å
44	H	90.5	Very high	90.8	Very high	39 Å²	39	49.2 Å²	49.2	18%	0.181	26%	0.259	C	S	.	.	H	α-helix	trans	-91.5	-51	174	-69.7	-81.8	0	0	0	111.2	W40 C41 N42 R46 K47 L68 V71 I72	W40-H44 AromaticContact CE2-CD2 3.68Å; W40-H44 AromaticContact CE2-NE2 3.51Å; W40-H44 AromaticContact CZ2-CD2 3.75Å; W40-H44 AromaticContact CZ2-NE2 3.48Å; W40-H44 WeakPolarHBondContact CZ2-NE2 3.38Å; W40-H44 AromaticContact NE1-CD2 3.99Å; W40-H44 AromaticContact NE1-NE2 3.56Å; W40-H44 PolarHBondContact O-CD2 3.21Å; W40-H44 PolarHBondContact O-N 3.07Å; C41-H44 PolarHBondContact O-N 2.9Å; N42-H44 PolarHBondContact O-N 3.39Å; H44-R46 PolarHBondContact O-N 2.9Å; H44-R46 VanDerWaalsContact O-N 3.16Å; H44-K47 VanDerWaalsContact O-CB 3.26Å; H44-K47 WeakPolarHBondContact O-CB 3.17Å; H44-K47 WeakPolarHBondContact O-CG 2.92Å; H44-K47 PolarHBondContact O-N 2.69Å; H44-L68 HydrophobicContact CB-CD1 3.8Å; H44-V71 HydrophobicContact CB-CG1 4.07Å; H44-I72 HydrophobicContact CB-CG2 4.12Å
45	L	91.2	Very high	90.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-27.9	-177.4	-71.4	175.6	0	0	0	113.8	C41 N42 K47 A48 G49 T50 I52 L67 L68	C41-L45 WeakPolarHBondContact O-CB 3.32Å; C41-L45 WeakPolarHBondContact O-CG 3.43Å; C41-L45 PolarHBondContact O-N 3.4Å; N42-L45 PolarHBondContact O-N 3.16Å; L45-K47 PolarHBondContact O-N 2.76Å; L45-A48 CarbonylContact O-C 3.59Å; L45-A48 WeakPolarHBondContact O-CA 3.49Å; L45-A48 PolarHBondContact O-N 3.29Å; L45-G49 PolarHBondContact O-N 3.24Å; L45-T50 CarbonylContact C-O 3.57Å; L45-T50 HydrophobicContact CB-CG2 3.93Å; L45-T50 WeakPolarHBondContact CB-O 3.37Å; L45-T50 HydrophobicContact CD1-CG2 4.48Å; L45-T50 HydrophobicContact CD2-CG2 3.85Å; L45-T50 HydrophobicContact CG-CG2 4.3Å; L45-T50 PolarHBondContact O-N 3.16Å; L45-T50 VanDerWaalsContact O-N 3.15Å; L45-T50 VanDerWaalsContact O-O 3.09Å; L45-I52 HydrophobicContact CD1-CG2 4.04Å; L45-L67 HydrophobicContact CD2-CD2 4.45Å; L45-L67 HydrophobicContact CD2-CG 4.28Å; L45-L68 HydrophobicContact CD2-CB 4.01Å; L45-L68 HydrophobicContact CD2-CD1 4.48Å; L45-L68 HydrophobicContact CG-CB 4.48Å; L45-L68 HydrophobicContact CG-CD1 4.24Å
46	R	89.5	Confident	90.5	Very high	105 Å²	105	44.6 Å²	44.6	40%	0.396	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-55.1	-32.9	171.7	69.1	-174.5	175.6	159.9	5.6	112.7	N42 S43 H44 A48 G49 T50 D217	N42-R46 WeakPolarHBondContact O-CB 3.07Å; N42-R46 WeakPolarHBondContact O-CG 3.43Å; N42-R46 PolarHBondContact O-N 2.84Å; S43-R46 WeakPolarHBondContact O-CG 3.49Å; S43-R46 PolarHBondContact O-NE 3.26Å; H44-R46 PolarHBondContact O-N 2.9Å; H44-R46 VanDerWaalsContact O-N 3.16Å; R46-A48 VanDerWaalsContact C-N 3.27Å; R46-A48 PolarHBondContact O-N 3.45Å; R46-G49 PolarHBondContact O-N 2.96Å; R46-G49 VanDerWaalsContact O-N 3.09Å; R46-T50 PolarHBondContact N-O 2.66Å; R46-D217 IonicContact CZ-OD1 2.7Å; R46-D217 VanDerWaalsContact CZ-OD1 3.31Å; R46-D217 IonicContact CZ-OD2 3.78Å; R46-D217 IonicContact NH1-OD1 2.73Å; R46-D217 PolarHBondContact NH1-OD1 2.69Å; R46-D217 IonicContact NH1-OD2 3.4Å; R46-D217 PolarHBondContact NH2-O 3.12Å; R46-D217 IonicContact NH2-OD1 2.63Å; R46-D217 PolarHBondContact NH2-OD1 2.86Å; R46-D217 VanDerWaalsContact NH2-OD1 3.14Å; R46-D217 IonicContact NH2-OD2 3.95Å; R46-D217 PolarHBondContact NH2-OD2 2.84Å
47	K	83.9	Confident	90.5	Very high	154 Å²	154	50.2 Å²	50.2	67%	0.67	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-68.7	-25.1	177.4	-55.2	-177.5	-179	-175.9	0	112.6	H44 L45 V71	H44-K47 VanDerWaalsContact O-CB 3.26Å; H44-K47 WeakPolarHBondContact O-CB 3.17Å; H44-K47 WeakPolarHBondContact O-CG 2.92Å; H44-K47 PolarHBondContact O-N 2.69Å; L45-K47 PolarHBondContact O-N 2.76Å; K47-V71 HydrophobicContact CB-CG1 4.41Å
48	A	84.3	Confident	90.5	Very high	46 Å²	46	52 Å²	52	38%	0.38	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-98.2	9.1	172.5	0	0	0	0	0	113.3	L45 R46 L67 V71	L45-A48 CarbonylContact O-C 3.59Å; L45-A48 WeakPolarHBondContact O-CA 3.49Å; L45-A48 PolarHBondContact O-N 3.29Å; R46-A48 VanDerWaalsContact C-N 3.27Å; R46-A48 PolarHBondContact O-N 3.45Å; A48-L67 HydrophobicContact CB-CD1 4.14Å; A48-L67 HydrophobicContact CB-CD2 4.07Å; A48-L67 HydrophobicContact CB-CG 4.18Å; A48-V71 HydrophobicContact CB-CG2 3.74Å
49	G	87.7	Confident	90.5	Very high	73 Å²	73	51 Å²	51	75%	0.753	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	29.2	177.3	0	0	0	0	0	114.9	L45 R46	L45-G49 PolarHBondContact O-N 3.24Å; R46-G49 PolarHBondContact O-N 2.96Å; R46-G49 VanDerWaalsContact O-N 3.09Å
50	T	91.3	Very high	90.5	Very high	48 Å²	48	53.8 Å²	53.8	29%	0.294	28%	0.277	S	S	.	.			trans	-140.3	170.5	177.8	-163.5	0	0	0	0	112.4	L45 R46 L67	L45-T50 CarbonylContact C-O 3.57Å; L45-T50 HydrophobicContact CB-CG2 3.93Å; L45-T50 WeakPolarHBondContact CB-O 3.37Å; L45-T50 HydrophobicContact CD1-CG2 4.48Å; L45-T50 HydrophobicContact CD2-CG2 3.85Å; L45-T50 HydrophobicContact CG-CG2 4.3Å; L45-T50 PolarHBondContact O-N 3.16Å; L45-T50 VanDerWaalsContact O-N 3.15Å; L45-T50 VanDerWaalsContact O-O 3.09Å; R46-T50 PolarHBondContact N-O 2.66Å; T50-L67 HydrophobicContact CG2-CD2 3.74Å
51	Q	92.6	Very high	90.3	Very high	116 Å²	116	55.9 Å²	55.9	54%	0.542	29%	0.289	S	S	.	.			trans	-151.5	166	179	68.2	-175.6	20.8	0	0	112.3	N42 K64	N42-Q51 WeakPolarHBondContact OD1-CA 3.09Å; Q51-K64 PolarHBondContact O-NZ 3.12Å
52	I	93.8	Very high	90.2	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.015	29%	0.289	C	S	.	.			trans	-115.4	144.9	168.9	56.6	163.2	0	0	0	110.7	T38 C41 N42 L45 I55 D58 F59 K64	T38-I52 HydrophobicContact CG2-CD1 4.04Å; T38-I52 HydrophobicContact CG2-CG1 3.96Å; C41-I52 HydrophobicContact CB-CD1 3.76Å; C41-I52 HydrophobicContact CB-CG1 4.25Å; N42-I52 PolarHBondContact ND2-O 3.03Å; N42-I52 VanDerWaalsContact OD1-CG1 3.27Å; N42-I52 WeakPolarHBondContact OD1-CG1 3.26Å; N42-I52 PolarHBondContact OD1-N 3.42Å; N42-I52 PolarHBondContact OD1-O 3.47Å; L45-I52 HydrophobicContact CD1-CG2 4.04Å; I52-I55 HydrophobicContact CD1-CB 4.27Å; I52-I55 HydrophobicContact CD1-CG1 4.18Å; I52-D58 WeakPolarHBondContact CA-OD2 3.38Å; I52-D58 HydrophobicContact CB-CB 3.87Å; I52-D58 HydrophobicContact CG2-CB 3.53Å; I52-F59 HydrophobicContact CD1-CE2 3.78Å; I52-F59 HydrophobicContact CD1-CZ 3.79Å; I52-F59 HydrophobicContact CG2-CE1 4.28Å; I52-F59 HydrophobicContact CG2-CZ 4.43Å; I52-K64 HydrophobicContact CG2-CB 4.37Å; I52-K64 HydrophobicContact CG2-CD 3.5Å; I52-K64 VanDerWaalsContact CG2-CD 3.5Å
53	E	90.6	Very high	90.1	Very high	164 Å²	164	57.2 Å²	57.2	77%	0.766	30%	0.296	S	S	*	.	S	Bend	trans	-109.7	-42.4	176.5	-67.3	-179	-171.9	0	0	110.8	D58	E53-D58 PolarHBondContact N-OD2 3.04Å
54	N	89.8	Confident	90.2	Very high	46 Å²	46	59 Å²	59	25%	0.246	30%	0.302	C	S	.	.			trans	-124.2	107.9	171.6	-172.9	-6.5	0	0	0	111.1	E56 E57 D58	N54-E56 PolarHBondContact ND2-OE1 3.23Å; N54-E56 PolarHBondContact O-N 3.4Å; N54-E56 VanDerWaalsContact O-N 3.12Å; N54-E56 WeakPolarHBondContact OD1-CG 3.24Å; N54-E56 PolarHBondContact OD1-N 3Å; N54-E56 PolarHBondContact OD1-OE1 2.7Å; N54-E57 HydrophobicContact CB-CB 4.27Å; N54-E57 PolarHBondContact O-N 2.84Å; N54-D58 PolarHBondContact N-OD2 2.89Å; N54-D58 VanDerWaalsContact O-CB 3.32Å; N54-D58 WeakPolarHBondContact O-CB 3.49Å; N54-D58 PolarHBondContact O-N 3.37Å
55	I	90	Very high	90.4	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-53.2	-31.2	179.2	-162.8	162.4	0	0	0	114.4	R34 F37 I52 F59 T123 L124 I127	R34-I55 HydrophobicContact CG-CG2 4.42Å; F37-I55 HydrophobicContact CB-CD1 3.67Å; I52-I55 HydrophobicContact CD1-CB 4.27Å; I52-I55 HydrophobicContact CD1-CG1 4.18Å; I55-F59 HydrophobicContact CD1-CE2 4.37Å; I55-F59 HydrophobicContact CG1-CD2 3.87Å; I55-F59 HydrophobicContact CG1-CE2 3.75Å; I55-F59 WeakPolarHBondContact O-CD2 3.47Å; I55-T123 HydrophobicContact CG1-CG2 4.41Å; I55-T123 WeakPolarHBondContact O-CG2 3.41Å; I55-L124 HydrophobicContact CD1-CD2 4.25Å; I55-L124 HydrophobicContact CG2-CD2 4.39Å; I55-I127 HydrophobicContact CD1-CG1 4.23Å
56	E	83.6	Confident	90.5	Very high	44 Å²	44	57.6 Å²	57.6	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-84.6	-14.1	-179.1	87.5	-149.7	132.1	0	0	113.4	R34 N54 R60 V120	R34-E56 IonicContact CZ-OE1 2.66Å; R34-E56 IonicContact CZ-OE2 3.56Å; R34-E56 IonicContact NH1-OE1 3.82Å; R34-E56 PolarHBondContact NH1-OE1 2.81Å; R34-E56 IonicContact NH1-OE2 3.9Å; R34-E56 PolarHBondContact NH1-OE2 2.83Å; R34-E56 IonicContact NH2-OE1 3.89Å; R34-E56 IonicContact NH2-OE2 3.89Å; R34-E56 PolarHBondContact NH2-OE2 3.01Å; N54-E56 PolarHBondContact ND2-OE1 3.23Å; N54-E56 PolarHBondContact O-N 3.4Å; N54-E56 VanDerWaalsContact O-N 3.12Å; N54-E56 WeakPolarHBondContact OD1-CG 3.24Å; N54-E56 PolarHBondContact OD1-N 3Å; N54-E56 PolarHBondContact OD1-OE1 2.7Å; E56-R60 VanDerWaalsContact O-CD 3.24Å; E56-R60 WeakPolarHBondContact O-CD 3.08Å; E56-R60 WeakPolarHBondContact O-CG 3.04Å; E56-V120 HydrophobicContact CB-CB 4.08Å; E56-V120 HydrophobicContact CB-CG2 3.91Å; E56-V120 WeakPolarHBondContact OE2-CB 3.1Å; E56-V120 WeakPolarHBondContact OE2-CG2 3.1Å
57	E	90.3	Very high	90.6	Very high	120 Å²	120	55.1 Å²	55.1	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-107.8	-42.8	178.9	-66.1	-165.7	137.6	0	0	113.1	N54 F59 R60	N54-E57 HydrophobicContact CB-CB 4.27Å; N54-E57 PolarHBondContact O-N 2.84Å; E57-F59 PolarHBondContact O-N 3.18Å; E57-R60 VanDerWaalsContact O-CB 3.27Å; E57-R60 WeakPolarHBondContact O-CB 3.41Å; E57-R60 VanDerWaalsContact O-CG 3.25Å; E57-R60 WeakPolarHBondContact O-CG 3.02Å; E57-R60 PolarHBondContact O-N 3.37Å
58	D	93.8	Very high	91.1	Very high	38 Å²	38	47.8 Å²	47.8	20%	0.203	26%	0.258	C	S	.	.	H	α-helix	trans	-69.5	-27.4	-173.5	-88	-54.8	0	0	0	114.3	I52 E53 N54 K64	I52-D58 WeakPolarHBondContact CA-OD2 3.38Å; I52-D58 HydrophobicContact CB-CB 3.87Å; I52-D58 HydrophobicContact CG2-CB 3.53Å; E53-D58 PolarHBondContact N-OD2 3.04Å; N54-D58 PolarHBondContact N-OD2 2.89Å; N54-D58 VanDerWaalsContact O-CB 3.32Å; N54-D58 WeakPolarHBondContact O-CB 3.49Å; N54-D58 PolarHBondContact O-N 3.37Å; D58-K64 HydrophobicContact CB-CD 4.16Å; D58-K64 IonicContact OD1-NZ 3.29Å; D58-K64 PolarHBondContact OD1-NZ 3.43Å; D58-K64 IonicContact OD2-NZ 2.69Å
59	F	93.6	Very high	91.5	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-7.1	175.8	-70	-44.6	0	0	0	113.6	C41 I52 I55 E57 D61 G62 K64 L65 L68 T123 I127	C41-F59 HydrophobicContact CB-CZ 4.22Å; I52-F59 HydrophobicContact CD1-CE2 3.78Å; I52-F59 HydrophobicContact CD1-CZ 3.79Å; I52-F59 HydrophobicContact CG2-CE1 4.28Å; I52-F59 HydrophobicContact CG2-CZ 4.43Å; I55-F59 HydrophobicContact CD1-CE2 4.37Å; I55-F59 HydrophobicContact CG1-CD2 3.87Å; I55-F59 HydrophobicContact CG1-CE2 3.75Å; I55-F59 WeakPolarHBondContact O-CD2 3.47Å; E57-F59 PolarHBondContact O-N 3.18Å; F59-D61 PolarHBondContact O-N 3.47Å; F59-D61 VanDerWaalsContact O-N 3.09Å; F59-G62 PolarHBondContact O-N 2.82Å; F59-K64 HydrophobicContact CD1-CB 4.02Å; F59-K64 HydrophobicContact CE1-CB 4.03Å; F59-L65 HydrophobicContact CD1-CB 3.76Å; F59-L65 HydrophobicContact CD1-CD1 4.49Å; F59-L65 HydrophobicContact CE1-CB 4.27Å; F59-L65 HydrophobicContact CG-CB 4.41Å; F59-L68 HydrophobicContact CE1-CD2 4.44Å; F59-L68 HydrophobicContact CZ-CD2 3.99Å; F59-T123 HydrophobicContact CD2-CG2 4.29Å; F59-I127 HydrophobicContact CD2-CD1 3.98Å; F59-I127 HydrophobicContact CD2-CG1 4.34Å; F59-I127 HydrophobicContact CE2-CD1 3.45Å; F59-I127 VanDerWaalsContact CE2-CD1 3.45Å; F59-I127 HydrophobicContact CE2-CG1 3.97Å; F59-I127 HydrophobicContact CZ-CD1 3.99Å
60	R	92.7	Very high	91.7	Very high	77 Å²	77	44.6 Å²	44.6	29%	0.291	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17	-174.8	-63	179.2	65.3	163.9	10.1	114.6	E56 E57 K89 I115 V116 D117	E56-R60 VanDerWaalsContact O-CD 3.24Å; E56-R60 WeakPolarHBondContact O-CD 3.08Å; E56-R60 WeakPolarHBondContact O-CG 3.04Å; E57-R60 VanDerWaalsContact O-CB 3.27Å; E57-R60 WeakPolarHBondContact O-CB 3.41Å; E57-R60 VanDerWaalsContact O-CG 3.25Å; E57-R60 WeakPolarHBondContact O-CG 3.02Å; E57-R60 PolarHBondContact O-N 3.37Å; R60-K89 WeakPolarHBondContact O-CB 3.38Å; R60-K89 WeakPolarHBondContact O-CD 3.26Å; R60-I115 WeakPolarHBondContact CG-O 3.39Å; R60-V116 PolarHBondContact NE-O 3.19Å; R60-V116 PolarHBondContact NH2-O 2.87Å; R60-D117 VanDerWaalsContact NH2-C 3.33Å; R60-D117 PolarHBondContact NH2-O 3.49Å
61	D	90.1	Very high	91.6	Very high	49 Å²	49	44.4 Å²	44.4	26%	0.262	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-3.4	176	76.5	6	0	0	0	114.6	F59 L63 K89 N92	F59-D61 PolarHBondContact O-N 3.47Å; F59-D61 VanDerWaalsContact O-N 3.09Å; D61-L63 PolarHBondContact O-N 3.37Å; D61-L63 WeakPolarHBondContact OD1-CB 3.46Å; D61-L63 PolarHBondContact OD1-N 2.86Å; D61-K89 HydrophobicContact CB-CD 4.19Å; D61-K89 HydrophobicContact CB-CG 4.07Å; D61-N92 VanDerWaalsContact O-CB 3.28Å; D61-N92 WeakPolarHBondContact O-CB 3.31Å; D61-N92 PolarHBondContact O-ND2 3.22Å
62	G	90.9	Very high	91.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	71.6	-12.7	-177.4	0	0	0	0	0	115.5	F59 L65 M66	F59-G62 PolarHBondContact O-N 2.82Å; G62-L65 PolarHBondContact O-N 2.83Å; G62-M66 VanDerWaalsContact O-CG 3.26Å; G62-M66 WeakPolarHBondContact O-CG 3.22Å; G62-M66 PolarHBondContact O-N 2.93Å
63	L	92.1	Very high	91.1	Very high	65 Å²	65	41.8 Å²	41.8	34%	0.34	21%	0.206	S	C	.	.	H	α-helix	trans	-69.4	-49.4	-171.9	-62	179.5	0	0	0	112	D61 L65 M66 L67 P80 N92	D61-L63 PolarHBondContact O-N 3.37Å; D61-L63 WeakPolarHBondContact OD1-CB 3.46Å; D61-L63 PolarHBondContact OD1-N 2.86Å; L63-L65 VanDerWaalsContact C-N 3.26Å; L63-L65 PolarHBondContact O-N 2.96Å; L63-M66 PolarHBondContact O-N 2.71Å; L63-L67 PolarHBondContact O-N 2.87Å; L63-L67 VanDerWaalsContact O-N 3.09Å; L63-P80 HydrophobicContact CD2-CB 3.44Å; L63-P80 VanDerWaalsContact CD2-CB 3.44Å; L63-P80 HydrophobicContact CD2-CG 4.06Å; L63-N92 WeakPolarHBondContact CD2-ND2 3.27Å
64	K	92.9	Very high	90.8	Very high	51 Å²	51	37.4 Å²	37.4	22%	0.222	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-29	177	-63.6	-170.8	-176.2	-178.1	0	112.1	Q51 I52 D58 F59 L68	Q51-K64 PolarHBondContact O-NZ 3.12Å; I52-K64 HydrophobicContact CG2-CB 4.37Å; I52-K64 HydrophobicContact CG2-CD 3.5Å; I52-K64 VanDerWaalsContact CG2-CD 3.5Å; D58-K64 HydrophobicContact CB-CD 4.16Å; D58-K64 IonicContact OD1-NZ 3.29Å; D58-K64 PolarHBondContact OD1-NZ 3.43Å; D58-K64 IonicContact OD2-NZ 2.69Å; F59-K64 HydrophobicContact CD1-CB 4.02Å; F59-K64 HydrophobicContact CE1-CB 4.03Å; K64-L68 WeakPolarHBondContact O-CB 3.32Å; K64-L68 PolarHBondContact O-N 2.69Å
65	L	93.3	Very high	90.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.9	-47.7	176	179.6	64.1	0	0	0	111.2	F59 G62 L63 L67 L68 L69 A96 M126 I127 I130	F59-L65 HydrophobicContact CD1-CB 3.76Å; F59-L65 HydrophobicContact CD1-CD1 4.49Å; F59-L65 HydrophobicContact CE1-CB 4.27Å; F59-L65 HydrophobicContact CG-CB 4.41Å; G62-L65 PolarHBondContact O-N 2.83Å; L63-L65 VanDerWaalsContact C-N 3.26Å; L63-L65 PolarHBondContact O-N 2.96Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.43Å; L65-L68 WeakPolarHBondContact O-CB 3.06Å; L65-L68 PolarHBondContact O-N 3.18Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 3.33Å; L65-A96 HydrophobicContact CD2-CB 3.62Å; L65-A96 HydrophobicContact CG-CB 3.82Å; L65-M126 HydrophobicContact CD1-CE 3.64Å; L65-M126 HydrophobicContact CD1-SD 4.32Å; L65-M126 HydrophobicContact CD2-CE 3.69Å; L65-M126 HydrophobicContact CD2-SD 3.7Å; L65-M126 HydrophobicContact CG-CE 4.3Å; L65-I127 HydrophobicContact CD1-CD1 4.15Å; L65-I130 HydrophobicContact CD1-CD1 3.98Å
66	M	93.7	Very high	90.4	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.039	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-44.9	175.2	-70.6	173.9	73.1	0	0	111.2	G62 L63 L68 L69 E70 L77 A78 P80 N92 K95 A96	G62-M66 VanDerWaalsContact O-CG 3.26Å; G62-M66 WeakPolarHBondContact O-CG 3.22Å; G62-M66 PolarHBondContact O-N 2.93Å; L63-M66 PolarHBondContact O-N 2.71Å; M66-L68 PolarHBondContact O-N 3.12Å; M66-L69 WeakPolarHBondContact O-CB 3.38Å; M66-L69 PolarHBondContact O-N 3.31Å; M66-E70 WeakPolarHBondContact O-CG 3.04Å; M66-E70 PolarHBondContact O-N 3.38Å; M66-L77 HydrophobicContact CB-CD2 4.17Å; M66-L77 HydrophobicContact CE-CB 4.23Å; M66-L77 HydrophobicContact CE-CD2 4.49Å; M66-L77 HydrophobicContact CG-CD2 4.16Å; M66-A78 WeakPolarHBondContact CE-O 3.09Å; M66-P80 HydrophobicContact CE-CB 4.1Å; M66-P80 HydrophobicContact SD-CB 3.96Å; M66-N92 HydrophobicContact SD-CB 3.88Å; M66-K95 HydrophobicContact CE-CB 3.92Å; M66-K95 HydrophobicContact CE-CD 4.07Å; M66-K95 HydrophobicContact SD-CB 4.22Å; M66-A96 HydrophobicContact CG-CB 3.93Å
67	L	92.3	Very high	90.6	Very high	53 Å²	53	49.4 Å²	49.4	28%	0.277	25%	0.25	S	S	.	.	H	α-helix	trans	-64.9	-37.6	177.9	-177	61.8	0	0	0	112.8	L45 A48 T50 L63 L65 L69 E70 V71	L45-L67 HydrophobicContact CD2-CD2 4.45Å; L45-L67 HydrophobicContact CD2-CG 4.28Å; A48-L67 HydrophobicContact CB-CD1 4.14Å; A48-L67 HydrophobicContact CB-CD2 4.07Å; A48-L67 HydrophobicContact CB-CG 4.18Å; T50-L67 HydrophobicContact CG2-CD2 3.74Å; L63-L67 PolarHBondContact O-N 2.87Å; L63-L67 VanDerWaalsContact O-N 3.09Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.43Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 2.82Å; L67-E70 PolarHBondContact O-N 3.06Å; L67-V71 HydrophobicContact CD1-CG2 4.44Å; L67-V71 VanDerWaalsContact O-CG2 3.29Å; L67-V71 WeakPolarHBondContact O-CG2 3.44Å; L67-V71 PolarHBondContact O-N 3.28Å
68	L	94.1	Very high	90.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59	-45.2	172.2	176.6	64.9	0	0	0	110.9	W40 C41 H44 L45 F59 K64 L65 M66 E70 V71 I72 I127	W40-L68 HydrophobicContact CZ3-CD1 4.46Å; W40-L68 HydrophobicContact CZ3-CD2 4.31Å; C41-L68 HydrophobicContact CB-CD2 4.29Å; C41-L68 VanDerWaalsContact SG-CD2 3.57Å; H44-L68 HydrophobicContact CB-CD1 3.8Å; L45-L68 HydrophobicContact CD2-CB 4.01Å; L45-L68 HydrophobicContact CD2-CD1 4.48Å; L45-L68 HydrophobicContact CG-CB 4.48Å; L45-L68 HydrophobicContact CG-CD1 4.24Å; F59-L68 HydrophobicContact CE1-CD2 4.44Å; F59-L68 HydrophobicContact CZ-CD2 3.99Å; K64-L68 WeakPolarHBondContact O-CB 3.32Å; K64-L68 PolarHBondContact O-N 2.69Å; L65-L68 WeakPolarHBondContact O-CB 3.06Å; L65-L68 PolarHBondContact O-N 3.18Å; M66-L68 PolarHBondContact O-N 3.12Å; L68-E70 PolarHBondContact O-N 2.77Å; L68-V71 PolarHBondContact O-N 3.36Å; L68-I72 HydrophobicContact CD1-CG2 4.02Å; L68-I72 WeakPolarHBondContact O-CG1 3.39Å; L68-I72 WeakPolarHBondContact O-CG2 3.32Å; L68-I72 PolarHBondContact O-N 3.19Å; L68-I127 HydrophobicContact CD2-CD1 4.39Å
69	L	92.6	Very high	90	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-40.2	177.3	-66.7	170.5	0	0	0	112.4	L65 M66 L67 I72 S73 L77 A96 F99 I100 I130 F134	L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 3.33Å; M66-L69 WeakPolarHBondContact O-CB 3.38Å; M66-L69 PolarHBondContact O-N 3.31Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 2.82Å; L69-I72 HydrophobicContact CD2-CD1 4.1Å; L69-S73 VanDerWaalsContact O-CB 3.31Å; L69-S73 WeakPolarHBondContact O-CB 3.38Å; L69-S73 PolarHBondContact O-N 3.19Å; L69-S73 VanDerWaalsContact O-N 3.11Å; L69-S73 PolarHBondContact O-OG 3.22Å; L69-L77 HydrophobicContact CB-CD1 4.04Å; L69-L77 HydrophobicContact CB-CD2 4.11Å; L69-L77 HydrophobicContact CD1-CD2 4.02Å; L69-A96 HydrophobicContact CD1-CB 3.62Å; L69-A96 WeakPolarHBondContact CD1-O 3.3Å; L69-F99 HydrophobicContact CB-CD1 4Å; L69-F99 HydrophobicContact CB-CE1 4.11Å; L69-F99 HydrophobicContact CD1-CD1 4.09Å; L69-F99 HydrophobicContact CD2-CD1 4.3Å; L69-F99 HydrophobicContact CG-CD1 4.36Å; L69-I100 HydrophobicContact CD1-CD1 3.92Å; L69-I100 HydrophobicContact CD1-CG1 3.82Å; L69-I100 HydrophobicContact CD2-CD1 4.05Å; L69-I100 HydrophobicContact CD2-CG1 3.6Å; L69-I100 HydrophobicContact CG-CG1 4.37Å; L69-I130 HydrophobicContact CD2-CD1 4.11Å; L69-I130 HydrophobicContact CD2-CG1 4.37Å; L69-I130 HydrophobicContact CD2-CG2 4.34Å; L69-F134 HydrophobicContact CD2-CE2 4.44Å
70	E	91.6	Very high	89.8	Confident	53 Å²	53	56.4 Å²	56.4	25%	0.248	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-43.9	173.8	-65.4	-168.9	141.7	0	0	111.5	M66 L67 L68 G74 E75 R76 L77	M66-E70 WeakPolarHBondContact O-CG 3.04Å; M66-E70 PolarHBondContact O-N 3.38Å; L67-E70 PolarHBondContact O-N 3.06Å; L68-E70 PolarHBondContact O-N 2.77Å; E70-G74 WeakPolarHBondContact O-CA 3.48Å; E70-G74 PolarHBondContact O-N 2.88Å; E70-E75 VanDerWaalsContact CA-O 3.24Å; E70-E75 WeakPolarHBondContact CA-O 3.05Å; E70-E75 WeakPolarHBondContact CB-O 3.13Å; E70-E75 WeakPolarHBondContact CG-O 3.36Å; E70-R76 WeakPolarHBondContact OE1-CA 3.27Å; E70-L77 HydrophobicContact CG-CB 4.14Å; E70-L77 HydrophobicContact CG-CD1 3.63Å; E70-L77 HydrophobicContact CG-CG 4.43Å; E70-L77 PolarHBondContact OE1-N 3.44Å
71	V	89.9	Confident	89.6	Confident	44 Å²	44	56.6 Å²	56.6	27%	0.267	30%	0.299	S	S	.	.	H	α-helix	trans	-70.5	-36.6	-177.1	173.6	0	0	0	0	113.1	H44 K47 A48 L67 L68	H44-V71 HydrophobicContact CB-CG1 4.07Å; K47-V71 HydrophobicContact CB-CG1 4.41Å; A48-V71 HydrophobicContact CB-CG2 3.74Å; L67-V71 HydrophobicContact CD1-CG2 4.44Å; L67-V71 VanDerWaalsContact O-CG2 3.29Å; L67-V71 WeakPolarHBondContact O-CG2 3.44Å; L67-V71 PolarHBondContact O-N 3.28Å; L68-V71 PolarHBondContact O-N 3.36Å
72	I	89	Confident	89	Confident	31 Å²	31	65.4 Å²	65.4	16%	0.159	33%	0.329	C	S	.	.	H	α-helix	trans	-81.8	-26.7	179.8	69.2	-175.5	0	0	0	113.3	W40 H44 L68 L69 I130 F134	W40-I72 HydrophobicContact CH2-CD1 4.38Å; W40-I72 HydrophobicContact CH2-CG2 4.19Å; H44-I72 HydrophobicContact CB-CG2 4.12Å; L68-I72 HydrophobicContact CD1-CG2 4.02Å; L68-I72 WeakPolarHBondContact O-CG1 3.39Å; L68-I72 WeakPolarHBondContact O-CG2 3.32Å; L68-I72 PolarHBondContact O-N 3.19Å; L69-I72 HydrophobicContact CD2-CD1 4.1Å; I72-I130 HydrophobicContact CD1-CG2 3.35Å; I72-F134 HydrophobicContact CD1-CB 4.04Å; I72-F134 HydrophobicContact CD1-CD1 4.22Å; I72-F134 HydrophobicContact CD1-CD2 3.59Å; I72-F134 HydrophobicContact CD1-CE2 4.01Å; I72-F134 HydrophobicContact CD1-CG 3.7Å; I72-F134 HydrophobicContact CD1-CZ 4.47Å; I72-F134 HydrophobicContact CG1-CB 4.45Å; I72-F134 HydrophobicContact CG1-CD1 4.08Å; I72-F134 HydrophobicContact CG1-CD2 4.33Å; I72-F134 HydrophobicContact CG1-CE1 4.37Å; I72-F134 HydrophobicContact CG1-CG 4.05Å
73	S	86.3	Confident	88.4	Confident	33 Å²	33	66.7 Å²	66.7	23%	0.231	34%	0.342	C	S	.	.	H	α-helix	trans	-95.2	-22.4	-179.7	65.8	0	0	0	0	114	L69 E75 F99	L69-S73 VanDerWaalsContact O-CB 3.31Å; L69-S73 WeakPolarHBondContact O-CB 3.38Å; L69-S73 PolarHBondContact O-N 3.19Å; L69-S73 VanDerWaalsContact O-N 3.11Å; L69-S73 PolarHBondContact O-OG 3.22Å; S73-E75 PolarHBondContact O-N 3.23Å; S73-E75 PolarHBondContact OG-N 3.23Å; S73-F99 WeakPolarHBondContact OG-CZ 3.35Å
74	G	84.2	Confident	87.9	Confident	72 Å²	72	73.3 Å²	73.3	74%	0.742	37%	0.368	S	S	*	.	S	Bend	trans	75.2	-3.2	-169.8	0	0	0	0	0	114.2	E70	E70-G74 WeakPolarHBondContact O-CA 3.48Å; E70-G74 PolarHBondContact O-N 2.88Å
75	E	86.6	Confident	87.6	Confident	93 Å²	93	76.9 Å²	76.9	44%	0.435	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-97.6	149.9	-179.1	-69.2	175.2	-146.8	0	0	111.6	E70 S73 F99 K103	E70-E75 VanDerWaalsContact CA-O 3.24Å; E70-E75 WeakPolarHBondContact CA-O 3.05Å; E70-E75 WeakPolarHBondContact CB-O 3.13Å; E70-E75 WeakPolarHBondContact CG-O 3.36Å; S73-E75 PolarHBondContact O-N 3.23Å; S73-E75 PolarHBondContact OG-N 3.23Å; E75-F99 HydrophobicContact CB-CE2 4.37Å; E75-F99 HydrophobicContact CB-CZ 4.27Å; E75-K103 IonicContact OE1-NZ 3.59Å; E75-K103 PolarHBondContact OE1-NZ 2.63Å; E75-K103 WeakPolarHBondContact OE2-CE 3.46Å; E75-K103 IonicContact OE2-NZ 3.97Å; E75-K103 PolarHBondContact OE2-NZ 2.89Å
76	R	85.3	Confident	87.5	Confident	228 Å²	228	82.2 Å²	82.2	86%	0.86	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-90.1	133	174.7	-67.5	-159.1	-177.4	-143.7	3.5	111.8	E70	E70-R76 WeakPolarHBondContact OE1-CA 3.27Å
77	L	87.4	Confident	87.3	Confident	21 Å²	21	86.6 Å²	86.6	11%	0.11	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-84.2	167.3	177.5	-88.4	74.7	0	0	0	111.2	M66 L69 E70 F99	M66-L77 HydrophobicContact CB-CD2 4.17Å; M66-L77 HydrophobicContact CE-CB 4.23Å; M66-L77 HydrophobicContact CE-CD2 4.49Å; M66-L77 HydrophobicContact CG-CD2 4.16Å; L69-L77 HydrophobicContact CB-CD1 4.04Å; L69-L77 HydrophobicContact CB-CD2 4.11Å; L69-L77 HydrophobicContact CD1-CD2 4.02Å; E70-L77 HydrophobicContact CG-CB 4.14Å; E70-L77 HydrophobicContact CG-CD1 3.63Å; E70-L77 HydrophobicContact CG-CG 4.43Å; E70-L77 PolarHBondContact OE1-N 3.44Å; L77-F99 HydrophobicContact CD1-CD1 3.99Å; L77-F99 HydrophobicContact CD1-CD2 3.81Å; L77-F99 HydrophobicContact CD1-CE1 3.95Å; L77-F99 HydrophobicContact CD1-CE2 3.78Å; L77-F99 HydrophobicContact CD1-CG 3.9Å; L77-F99 HydrophobicContact CD1-CZ 3.84Å; L77-F99 HydrophobicContact CD2-CB 3.9Å; L77-F99 HydrophobicContact CD2-CD1 4.33Å; L77-F99 HydrophobicContact CD2-CD2 4.44Å; L77-F99 HydrophobicContact CD2-CG 3.98Å; L77-F99 HydrophobicContact CG-CB 4.21Å; L77-F99 HydrophobicContact CG-CD1 4.41Å; L77-F99 HydrophobicContact CG-CD2 3.86Å; L77-F99 HydrophobicContact CG-CE2 4.31Å; L77-F99 HydrophobicContact CG-CG 3.9Å
78	A	85.1	Confident	87.2	Confident	65 Å²	65	86.7 Å²	86.7	54%	0.537	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-58.4	146.1	172.5	0	0	0	0	0	111.3	M66	M66-A78 WeakPolarHBondContact CE-O 3.09Å
79	K	87.4	Confident	87.1	Confident	185 Å²	185	89.7 Å²	89.7	80%	0.804	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-56.9	132.5	-175.6	-72	-179.1	179.5	173.8	0	111.9	K95	K79-K95 PolarHBondContact O-NZ 3.37Å
80	P	88.9	Confident	87.1	Confident	57 Å²	57	90.9 Å²	90.9	37%	0.37	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-75.7	149.8	179.7	28.6	-34.5	0	0	0	113.1	L63 M66 N92	L63-P80 HydrophobicContact CD2-CB 3.44Å; L63-P80 VanDerWaalsContact CD2-CB 3.44Å; L63-P80 HydrophobicContact CD2-CG 4.06Å; M66-P80 HydrophobicContact CE-CB 4.1Å; M66-P80 HydrophobicContact SD-CB 3.96Å; P80-N92 WeakPolarHBondContact CA-OD1 3.32Å
81	E	87.4	Confident	87.2	Confident	80 Å²	80	90.2 Å²	90.2	37%	0.374	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-74.6	129	169.1	-58.1	-48.2	135.4	0	0	110.5	H88 N92 K95	E81-H88 HydrophobicContact CB-CB 3.9Å; E81-N92 PolarHBondContact N-OD1 3.49Å; E81-N92 PolarHBondContact O-ND2 3.06Å; E81-K95 IonicContact OE1-NZ 2.65Å; E81-K95 PolarHBondContact OE1-NZ 3.28Å
82	R	78.9	Confident	87.4	Confident	234 Å²	234	88.3 Å²	88.3	88%	0.883	44%	0.442	S	S	*	.			trans	-93.6	5.1	-175.9	-64.2	-177.2	174.7	-174.1	-3.8	114.6
83	G	76.8	Confident	87.6	Confident	28 Å²	28	86.8 Å²	86.8	29%	0.289	43%	0.434	S	S	.	.			trans	-80.6	148.7	-175.1	0	0	0	0	0	113.5	H88	G83-H88 WeakPolarHBondContact CA-ND1 3.15Å; G83-H88 VanDerWaalsContact O-CB 3.29Å; G83-H88 WeakPolarHBondContact O-CB 3.43Å
84	K	82	Confident	88	Confident	203 Å²	203	88.3 Å²	88.3	88%	0.883	44%	0.44	S	S	*	.			trans	-82.2	-16.3	-177.5	-65.8	-172.4	177.4	-174.6	0	115.2
85	M	86.2	Confident	88.4	Confident	126 Å²	126	87.1 Å²	87.1	62%	0.621	41%	0.414	S	S	*	.	S	Bend	trans	-67.9	148.9	-179.2	-58.9	167.6	56.9	0	0	112.2	V87 H88 K89	M85-V87 PolarHBondContact O-N 3.38Å; M85-H88 PolarHBondContact N-ND1 3.09Å; M85-H88 PolarHBondContact O-N 3.39Å; M85-H88 PolarHBondContact O-ND1 3.02Å; M85-K89 PolarHBondContact O-N 2.87Å
86	R	91.2	Very high	88.7	Confident	112 Å²	112	82.7 Å²	82.7	42%	0.423	39%	0.393	S	S	.	.	H	α-helix	trans	-49	-35.5	177.8	-171.6	175.3	176.3	-91.2	1	113.6	H88 K89 I90 V116 D117	R86-H88 PolarHBondContact O-N 3.03Å; R86-K89 WeakPolarHBondContact O-CB 3.5Å; R86-K89 PolarHBondContact O-N 3.18Å; R86-I90 HydrophobicContact CG-CD1 4.01Å; R86-I90 HydrophobicContact CG-CG1 4.46Å; R86-I90 WeakPolarHBondContact O-CG1 3.36Å; R86-I90 PolarHBondContact O-N 3.47Å; R86-V116 HydrophobicContact CG-CG1 3.81Å; R86-D117 IonicContact CZ-OD1 3.11Å; R86-D117 IonicContact CZ-OD2 3.6Å; R86-D117 IonicContact NE-OD1 3.36Å; R86-D117 PolarHBondContact NE-OD1 3.25Å; R86-D117 IonicContact NE-OD2 3.04Å; R86-D117 IonicContact NH2-OD1 3.79Å; R86-D117 PolarHBondContact NH2-OD1 2.96Å; R86-D117 VanDerWaalsContact NH2-OD1 3.11Å; R86-D117 IonicContact NH2-OD2 2.68Å; R86-D117 PolarHBondContact NH2-OD2 3.39Å
87	V	89.3	Confident	89.1	Confident	101 Å²	101	72.4 Å²	72.4	61%	0.612	36%	0.355	S	S	*	.	H	α-helix	trans	-60.9	-40.7	177.5	-178.3	0	0	0	0	112.7	M85 I90 S91	M85-V87 PolarHBondContact O-N 3.38Å; V87-I90 PolarHBondContact O-N 3.31Å; V87-S91 PolarHBondContact O-N 2.83Å
88	H	90.3	Very high	89.2	Confident	54 Å²	54	76.5 Å²	76.5	25%	0.25	38%	0.378	C	S	.	.	H	α-helix	trans	-69	-38.6	177.1	-52.7	105.3	0	0	0	111.5	E81 G83 M85 R86 S91 N92	E81-H88 HydrophobicContact CB-CB 3.9Å; G83-H88 WeakPolarHBondContact CA-ND1 3.15Å; G83-H88 VanDerWaalsContact O-CB 3.29Å; G83-H88 WeakPolarHBondContact O-CB 3.43Å; M85-H88 PolarHBondContact N-ND1 3.09Å; M85-H88 PolarHBondContact O-N 3.39Å; M85-H88 PolarHBondContact O-ND1 3.02Å; R86-H88 PolarHBondContact O-N 3.03Å; H88-S91 WeakPolarHBondContact O-CB 3.31Å; H88-S91 PolarHBondContact O-N 3.26Å; H88-N92 PolarHBondContact O-N 3.13Å
89	K	93.5	Very high	89.5	Confident	64 Å²	64	74.6 Å²	74.6	28%	0.278	36%	0.357	S	S	.	.	H	α-helix	trans	-59.9	-47.3	174.8	-61.8	-170.4	160.2	-150.7	0	111.3	R60 D61 M85 R86 S91 N92 V93 V116	R60-K89 WeakPolarHBondContact O-CB 3.38Å; R60-K89 WeakPolarHBondContact O-CD 3.26Å; D61-K89 HydrophobicContact CB-CD 4.19Å; D61-K89 HydrophobicContact CB-CG 4.07Å; M85-K89 PolarHBondContact O-N 2.87Å; R86-K89 WeakPolarHBondContact O-CB 3.5Å; R86-K89 PolarHBondContact O-N 3.18Å; K89-S91 VanDerWaalsContact C-N 3.32Å; K89-S91 PolarHBondContact O-N 3.46Å; K89-N92 PolarHBondContact O-N 3.5Å; K89-V93 WeakPolarHBondContact O-CG2 3.4Å; K89-V93 PolarHBondContact O-N 2.91Å; K89-V116 HydrophobicContact CB-CG1 3.79Å; K89-V116 HydrophobicContact CB-CG2 3.97Å; K89-V116 HydrophobicContact CD-CG1 4.25Å
90	I	92.3	Very high	89.6	Confident	24 Å²	24	65.8 Å²	65.8	12%	0.123	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-41.2	174.5	-68.6	169.6	0	0	0	110.9	R86 V87 N92 V93 N94 A112 E113 V116	R86-I90 HydrophobicContact CG-CD1 4.01Å; R86-I90 HydrophobicContact CG-CG1 4.46Å; R86-I90 WeakPolarHBondContact O-CG1 3.36Å; R86-I90 PolarHBondContact O-N 3.47Å; V87-I90 PolarHBondContact O-N 3.31Å; I90-N92 PolarHBondContact O-N 3.16Å; I90-V93 PolarHBondContact O-N 3.41Å; I90-N94 WeakPolarHBondContact O-CB 3.32Å; I90-N94 PolarHBondContact O-N 3.44Å; I90-N94 PolarHBondContact O-ND2 3.03Å; I90-A112 HydrophobicContact CG2-CB 4.19Å; I90-E113 HydrophobicContact CD1-CG 4.43Å; I90-V116 HydrophobicContact CG1-CB 4.12Å; I90-V116 HydrophobicContact CG1-CG1 4.15Å; I90-V116 HydrophobicContact CG1-CG2 3.82Å
91	S	92.9	Very high	89.6	Confident	40 Å²	40	65.5 Å²	65.5	28%	0.28	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-41.6	175.8	-174.7	0	0	0	0	112.8	V87 H88 K89 K95	V87-S91 PolarHBondContact O-N 2.83Å; H88-S91 WeakPolarHBondContact O-CB 3.31Å; H88-S91 PolarHBondContact O-N 3.26Å; K89-S91 VanDerWaalsContact C-N 3.32Å; K89-S91 PolarHBondContact O-N 3.46Å; S91-K95 VanDerWaalsContact O-CG 3.3Å; S91-K95 WeakPolarHBondContact O-CG 2.93Å; S91-K95 PolarHBondContact O-N 3.38Å
92	N	94.4	Very high	89.7	Confident	3 Å²	3	65.8 Å²	65.8	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-68.1	-43.3	176.7	-67.6	-21.3	0	0	0	112.3	D61 L63 M66 P80 E81 H88 K89 I90 K95 A96	D61-N92 VanDerWaalsContact O-CB 3.28Å; D61-N92 WeakPolarHBondContact O-CB 3.31Å; D61-N92 PolarHBondContact O-ND2 3.22Å; L63-N92 WeakPolarHBondContact CD2-ND2 3.27Å; M66-N92 HydrophobicContact SD-CB 3.88Å; P80-N92 WeakPolarHBondContact CA-OD1 3.32Å; E81-N92 PolarHBondContact N-OD1 3.49Å; E81-N92 PolarHBondContact O-ND2 3.06Å; H88-N92 PolarHBondContact O-N 3.13Å; K89-N92 PolarHBondContact O-N 3.5Å; I90-N92 PolarHBondContact O-N 3.16Å; N92-K95 PolarHBondContact O-N 2.99Å; N92-A96 PolarHBondContact O-N 3.34Å; N92-A96 VanDerWaalsContact O-N 3.09Å
93	V	93.6	Very high	89.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-41.9	175.9	174.3	0	0	0	0	110.9	K89 I90 K95 A96 L97 A112 I115 V116	K89-V93 WeakPolarHBondContact O-CG2 3.4Å; K89-V93 PolarHBondContact O-N 2.91Å; I90-V93 PolarHBondContact O-N 3.41Å; V93-K95 PolarHBondContact O-N 3.03Å; V93-A96 WeakPolarHBondContact O-CA 3.18Å; V93-A96 WeakPolarHBondContact O-CB 3.48Å; V93-A96 PolarHBondContact O-N 2.86Å; V93-A96 VanDerWaalsContact O-N 3.1Å; V93-L97 HydrophobicContact CG1-CD1 3.94Å; V93-L97 HydrophobicContact CG1-CG 4.06Å; V93-L97 WeakPolarHBondContact O-CG 3.35Å; V93-L97 PolarHBondContact O-N 3.17Å; V93-A112 HydrophobicContact CB-CB 4.06Å; V93-A112 HydrophobicContact CG1-CB 3.64Å; V93-I115 HydrophobicContact CG1-CB 3.9Å; V93-I115 HydrophobicContact CG1-CG1 4.12Å; V93-I115 HydrophobicContact CG1-CG2 4.15Å; V93-I115 HydrophobicContact CG2-CB 4.48Å; V93-I115 HydrophobicContact CG2-CG2 4.13Å; V93-V116 HydrophobicContact CB-CG2 4.19Å; V93-V116 HydrophobicContact CG2-CG2 3.69Å
94	N	93.9	Very high	90	Very high	65 Å²	65	58.7 Å²	58.7	35%	0.348	32%	0.317	S	S	.	.	H	α-helix	trans	-57.9	-48.2	173.2	-80.7	-29.5	0	0	0	111.6	I90 A96 L97 D98 A112	I90-N94 WeakPolarHBondContact O-CB 3.32Å; I90-N94 PolarHBondContact O-N 3.44Å; I90-N94 PolarHBondContact O-ND2 3.03Å; N94-A96 PolarHBondContact O-N 2.92Å; N94-A96 VanDerWaalsContact O-N 3.15Å; N94-L97 PolarHBondContact O-N 2.8Å; N94-L97 VanDerWaalsContact O-N 3.08Å; N94-D98 WeakPolarHBondContact O-CB 3.43Å; N94-D98 PolarHBondContact O-N 2.8Å; N94-A112 WeakPolarHBondContact OD1-CB 3.4Å
95	K	93.6	Very high	90	Very high	46 Å²	46	49.9 Å²	49.9	20%	0.2	28%	0.28	C	S	.	.	H	α-helix	trans	-55.3	-34.2	175.2	-71.2	167.2	-173.7	174.2	0	112.9	M66 K79 E81 S91 N92 V93 F99	M66-K95 HydrophobicContact CE-CB 3.92Å; M66-K95 HydrophobicContact CE-CD 4.07Å; M66-K95 HydrophobicContact SD-CB 4.22Å; K79-K95 PolarHBondContact O-NZ 3.37Å; E81-K95 IonicContact OE1-NZ 2.65Å; E81-K95 PolarHBondContact OE1-NZ 3.28Å; S91-K95 VanDerWaalsContact O-CG 3.3Å; S91-K95 WeakPolarHBondContact O-CG 2.93Å; S91-K95 PolarHBondContact O-N 3.38Å; N92-K95 PolarHBondContact O-N 2.99Å; V93-K95 PolarHBondContact O-N 3.03Å; K95-F99 PolarHBondContact O-N 3.32Å
96	A	93.2	Very high	89.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-74.6	-45.3	174.6	0	0	0	0	0	112.8	L65 M66 L69 N92 V93 N94 F99 I100	L65-A96 HydrophobicContact CD2-CB 3.62Å; L65-A96 HydrophobicContact CG-CB 3.82Å; M66-A96 HydrophobicContact CG-CB 3.93Å; L69-A96 HydrophobicContact CD1-CB 3.62Å; L69-A96 WeakPolarHBondContact CD1-O 3.3Å; N92-A96 PolarHBondContact O-N 3.34Å; N92-A96 VanDerWaalsContact O-N 3.09Å; V93-A96 WeakPolarHBondContact O-CA 3.18Å; V93-A96 WeakPolarHBondContact O-CB 3.48Å; V93-A96 PolarHBondContact O-N 2.86Å; V93-A96 VanDerWaalsContact O-N 3.1Å; N94-A96 PolarHBondContact O-N 2.92Å; N94-A96 VanDerWaalsContact O-N 3.15Å; A96-F99 PolarHBondContact O-N 2.78Å; A96-I100 WeakPolarHBondContact O-CD1 3.18Å; A96-I100 VanDerWaalsContact O-CG1 3.26Å; A96-I100 WeakPolarHBondContact O-CG1 3.42Å; A96-I100 PolarHBondContact O-N 3.27Å
97	L	92.2	Very high	89.1	Confident	12 Å²	12	48.8 Å²	48.8	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-40	178.1	-65.9	179.2	0	0	0	111.9	V93 N94 F99 I100 A101 L107 I110 A112 M126	V93-L97 HydrophobicContact CG1-CD1 3.94Å; V93-L97 HydrophobicContact CG1-CG 4.06Å; V93-L97 WeakPolarHBondContact O-CG 3.35Å; V93-L97 PolarHBondContact O-N 3.17Å; N94-L97 PolarHBondContact O-N 2.8Å; N94-L97 VanDerWaalsContact O-N 3.08Å; L97-F99 VanDerWaalsContact C-N 3.34Å; L97-F99 PolarHBondContact O-N 3.41Å; L97-I100 HydrophobicContact CD2-CD1 4.36Å; L97-I100 PolarHBondContact O-N 3.27Å; L97-A101 WeakPolarHBondContact O-CB 3.47Å; L97-A101 PolarHBondContact O-N 2.9Å; L97-L107 HydrophobicContact CB-CD1 3.91Å; L97-L107 HydrophobicContact CD2-CD1 3.85Å; L97-L107 HydrophobicContact CD2-CD2 4.4Å; L97-L107 HydrophobicContact CG-CD1 4.41Å; L97-L107 WeakPolarHBondContact O-CD1 3.1Å; L97-I110 HydrophobicContact CD2-CG2 4.28Å; L97-A112 HydrophobicContact CD1-CB 3.98Å; L97-M126 HydrophobicContact CD2-CG 4.18Å; L97-M126 HydrophobicContact CD2-SD 3.77Å
98	D	90.7	Very high	88.3	Confident	108 Å²	108	46.8 Å²	46.8	58%	0.578	26%	0.264	S	S	*	.	H	α-helix	trans	-59.9	-43.8	174.1	-69.1	-30.4	0	0	0	110.9	N94 A101 S102	N94-D98 WeakPolarHBondContact O-CB 3.43Å; N94-D98 PolarHBondContact O-N 2.8Å; D98-A101 PolarHBondContact O-N 3.15Å; D98-S102 WeakPolarHBondContact O-CB 3.44Å; D98-S102 PolarHBondContact O-N 3.38Å
99	F	92.1	Very high	87.7	Confident	25 Å²	25	47.9 Å²	47.9	11%	0.11	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-47.2	174.7	-176.3	-95.8	0	0	0	111.6	L69 S73 E75 L77 K95 A96 L97 A101 S102 K103 F134	L69-F99 HydrophobicContact CB-CD1 4Å; L69-F99 HydrophobicContact CB-CE1 4.11Å; L69-F99 HydrophobicContact CD1-CD1 4.09Å; L69-F99 HydrophobicContact CD2-CD1 4.3Å; L69-F99 HydrophobicContact CG-CD1 4.36Å; S73-F99 WeakPolarHBondContact OG-CZ 3.35Å; E75-F99 HydrophobicContact CB-CE2 4.37Å; E75-F99 HydrophobicContact CB-CZ 4.27Å; L77-F99 HydrophobicContact CD1-CD1 3.99Å; L77-F99 HydrophobicContact CD1-CD2 3.81Å; L77-F99 HydrophobicContact CD1-CE1 3.95Å; L77-F99 HydrophobicContact CD1-CE2 3.78Å; L77-F99 HydrophobicContact CD1-CG 3.9Å; L77-F99 HydrophobicContact CD1-CZ 3.84Å; L77-F99 HydrophobicContact CD2-CB 3.9Å; L77-F99 HydrophobicContact CD2-CD1 4.33Å; L77-F99 HydrophobicContact CD2-CD2 4.44Å; L77-F99 HydrophobicContact CD2-CG 3.98Å; L77-F99 HydrophobicContact CG-CB 4.21Å; L77-F99 HydrophobicContact CG-CD1 4.41Å; L77-F99 HydrophobicContact CG-CD2 3.86Å; L77-F99 HydrophobicContact CG-CE2 4.31Å; L77-F99 HydrophobicContact CG-CG 3.9Å; K95-F99 PolarHBondContact O-N 3.32Å; A96-F99 PolarHBondContact O-N 2.78Å; L97-F99 VanDerWaalsContact C-N 3.34Å; L97-F99 PolarHBondContact O-N 3.41Å; F99-A101 VanDerWaalsContact C-N 3.34Å; F99-A101 PolarHBondContact O-N 2.81Å; F99-S102 WeakPolarHBondContact O-CB 3.3Å; F99-S102 PolarHBondContact O-N 3.22Å; F99-S102 VanDerWaalsContact O-N 3.16Å; F99-S102 PolarHBondContact O-OG 3.1Å; F99-K103 HydrophobicContact CD1-CG 4.43Å; F99-K103 HydrophobicContact CE1-CG 4.12Å; F99-K103 HydrophobicContact CZ-CD 4.49Å; F99-K103 VanDerWaalsContact CZ-CE 3.44Å; F99-K103 HydrophobicContact CZ-CG 4.3Å; F99-K103 WeakPolarHBondContact O-CG 2.82Å; F99-K103 PolarHBondContact O-N 2.95Å; F99-F134 HydrophobicContact CE1-CZ 4.31Å
100	I	89.2	Confident	87.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.2	-46	177.1	-69.3	159.5	0	0	0	110.8	L69 A96 L97 S102 K103 V105 L107 M126 I130	L69-I100 HydrophobicContact CD1-CD1 3.92Å; L69-I100 HydrophobicContact CD1-CG1 3.82Å; L69-I100 HydrophobicContact CD2-CD1 4.05Å; L69-I100 HydrophobicContact CD2-CG1 3.6Å; L69-I100 HydrophobicContact CG-CG1 4.37Å; A96-I100 WeakPolarHBondContact O-CD1 3.18Å; A96-I100 VanDerWaalsContact O-CG1 3.26Å; A96-I100 WeakPolarHBondContact O-CG1 3.42Å; A96-I100 PolarHBondContact O-N 3.27Å; L97-I100 HydrophobicContact CD2-CD1 4.36Å; L97-I100 PolarHBondContact O-N 3.27Å; I100-S102 PolarHBondContact O-N 2.91Å; I100-K103 PolarHBondContact O-N 3.43Å; I100-V105 HydrophobicContact CG2-CB 3.56Å; I100-V105 HydrophobicContact CG2-CG1 3.72Å; I100-V105 HydrophobicContact CG2-CG2 3.9Å; I100-V105 WeakPolarHBondContact O-CB 3.14Å; I100-V105 PolarHBondContact O-N 3.48Å; I100-L107 HydrophobicContact CB-CD1 4.33Å; I100-L107 HydrophobicContact CG2-CD1 4.07Å; I100-L107 HydrophobicContact CG2-CD2 3.98Å; I100-L107 HydrophobicContact CG2-CG 4.17Å; I100-M126 HydrophobicContact CD1-CG 4.5Å; I100-I130 HydrophobicContact CD1-CD1 3.59Å; I100-I130 HydrophobicContact CD1-CG1 3.82Å; I100-I130 HydrophobicContact CG1-CD1 4.29Å; I100-I130 HydrophobicContact CG1-CG1 4.09Å
101	A	87.8	Confident	86.9	Confident	51 Å²	51	45.8 Å²	45.8	42%	0.421	28%	0.276	S	S	.	.	H	α-helix	trans	-60.9	-43.7	175.6	0	0	0	0	0	111.8	L97 D98 F99 K103 G104 L107	L97-A101 WeakPolarHBondContact O-CB 3.47Å; L97-A101 PolarHBondContact O-N 2.9Å; D98-A101 PolarHBondContact O-N 3.15Å; F99-A101 VanDerWaalsContact C-N 3.34Å; F99-A101 PolarHBondContact O-N 2.81Å; A101-K103 PolarHBondContact O-N 3.34Å; A101-K103 VanDerWaalsContact O-N 3.15Å; A101-G104 PolarHBondContact O-N 3.25Å; A101-L107 HydrophobicContact CB-CD1 4.41Å
102	S	88.9	Confident	86.8	Confident	85 Å²	85	44 Å²	44	59%	0.594	26%	0.263	S	S	*	.	H	α-helix	trans	-60	-24.5	177.1	83.4	0	0	0	0	113.9	D98 F99 I100 G104	D98-S102 WeakPolarHBondContact O-CB 3.44Å; D98-S102 PolarHBondContact O-N 3.38Å; F99-S102 WeakPolarHBondContact O-CB 3.3Å; F99-S102 PolarHBondContact O-N 3.22Å; F99-S102 VanDerWaalsContact O-N 3.16Å; F99-S102 PolarHBondContact O-OG 3.1Å; I100-S102 PolarHBondContact O-N 2.91Å; S102-G104 VanDerWaalsContact C-N 3.28Å; S102-G104 PolarHBondContact O-N 2.98Å
103	K	84	Confident	86.6	Confident	54 Å²	54	48.3 Å²	48.3	24%	0.235	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	11.3	178.1	-60.9	-65.1	177.5	-172.9	0	113.3	E75 F99 I100 A101 R133 F134	E75-K103 IonicContact OE1-NZ 3.59Å; E75-K103 PolarHBondContact OE1-NZ 2.63Å; E75-K103 WeakPolarHBondContact OE2-CE 3.46Å; E75-K103 IonicContact OE2-NZ 3.97Å; E75-K103 PolarHBondContact OE2-NZ 2.89Å; F99-K103 HydrophobicContact CD1-CG 4.43Å; F99-K103 HydrophobicContact CE1-CG 4.12Å; F99-K103 HydrophobicContact CZ-CD 4.49Å; F99-K103 VanDerWaalsContact CZ-CE 3.44Å; F99-K103 HydrophobicContact CZ-CG 4.3Å; F99-K103 WeakPolarHBondContact O-CG 2.82Å; F99-K103 PolarHBondContact O-N 2.95Å; I100-K103 PolarHBondContact O-N 3.43Å; A101-K103 PolarHBondContact O-N 3.34Å; A101-K103 VanDerWaalsContact O-N 3.15Å; K103-R133 PolarHBondContact O-NE 3.03Å; K103-F134 HydrophobicContact CB-CZ 4.02Å; K103-F134 HydrophobicContact CG-CZ 3.97Å
104	G	79.8	Confident	86.5	Confident	60 Å²	60	51.8 Å²	51.8	62%	0.619	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.3	15.9	172.9	0	0	0	0	0	114.8	A101 S102	A101-G104 PolarHBondContact O-N 3.25Å; S102-G104 VanDerWaalsContact C-N 3.28Å; S102-G104 PolarHBondContact O-N 2.98Å
105	V	81.6	Confident	86.4	Confident	17 Å²	17	48.7 Å²	48.7	10%	0.103	28%	0.283	C	S	.	.			trans	-92.3	121.5	-179	-177.8	0	0	0	0	111.1	I100 L107 T129 R133	I100-V105 HydrophobicContact CG2-CB 3.56Å; I100-V105 HydrophobicContact CG2-CG1 3.72Å; I100-V105 HydrophobicContact CG2-CG2 3.9Å; I100-V105 WeakPolarHBondContact O-CB 3.14Å; I100-V105 PolarHBondContact O-N 3.48Å; V105-L107 HydrophobicContact CG1-CD2 4.26Å; V105-L107 HydrophobicContact CG1-CG 4.46Å; V105-L107 PolarHBondContact O-N 3.39Å; V105-L107 VanDerWaalsContact O-N 3.17Å; V105-T129 HydrophobicContact CG1-CG2 4.37Å; V105-R133 HydrophobicContact CG2-CB 3.55Å; V105-R133 HydrophobicContact CG2-CG 3.57Å
106	K	78.6	Confident	86.3	Confident	174 Å²	174	46.7 Å²	46.7	76%	0.757	28%	0.275	S	S	*	.			trans	-81.5	93.7	177.1	-164.1	-176	-178.8	-178.8	0	110.8	V108	K106-V108 VanDerWaalsContact C-N 3.32Å; K106-V108 HydrophobicContact CD-CG2 4.01Å; K106-V108 HydrophobicContact CG-CG2 3.85Å; K106-V108 PolarHBondContact O-N 3.26Å
107	L	78.5	Confident	86.2	Confident	42 Å²	42	50.5 Å²	50.5	22%	0.22	30%	0.295	C	S	.	.			trans	-75	76.1	177.5	-67	169.9	0	0	0	111.9	L97 I100 A101 V105 I110	L97-L107 HydrophobicContact CB-CD1 3.91Å; L97-L107 HydrophobicContact CD2-CD1 3.85Å; L97-L107 HydrophobicContact CD2-CD2 4.4Å; L97-L107 HydrophobicContact CG-CD1 4.41Å; L97-L107 WeakPolarHBondContact O-CD1 3.1Å; I100-L107 HydrophobicContact CB-CD1 4.33Å; I100-L107 HydrophobicContact CG2-CD1 4.07Å; I100-L107 HydrophobicContact CG2-CD2 3.98Å; I100-L107 HydrophobicContact CG2-CG 4.17Å; A101-L107 HydrophobicContact CB-CD1 4.41Å; V105-L107 HydrophobicContact CG1-CD2 4.26Å; V105-L107 HydrophobicContact CG1-CG 4.46Å; V105-L107 PolarHBondContact O-N 3.39Å; V105-L107 VanDerWaalsContact O-N 3.17Å; L107-I110 HydrophobicContact CD2-CD1 4.22Å
108	V	74	Confident	86	Confident	59 Å²	59	50.9 Å²	50.9	36%	0.358	30%	0.302	S	S	.	.			trans	-76.6	127.8	174.1	-173.1	0	0	0	0	109.6	W19 K106 I110	W19-V108 HydrophobicContact CH2-CB 4.25Å; W19-V108 WeakPolarHBondContact CH2-O 3.34Å; W19-V108 HydrophobicContact CZ2-CB 4.43Å; K106-V108 VanDerWaalsContact C-N 3.32Å; K106-V108 HydrophobicContact CD-CG2 4.01Å; K106-V108 HydrophobicContact CG-CG2 3.85Å; K106-V108 PolarHBondContact O-N 3.26Å; V108-I110 PolarHBondContact O-N 2.99Å; V108-I110 VanDerWaalsContact O-N 3.09Å
109	S	77.7	Confident	86	Confident	77 Å²	77	48.5 Å²	48.5	54%	0.538	29%	0.289	S	S	.	.	S	Bend	trans	61.4	10.5	174.8	-62.1	0	0	0	0	117.5	M122	S109-M122 WeakPolarHBondContact O-CE 3.46Å
110	I	83	Confident	85.8	Confident	18 Å²	18	48.1 Å²	48.1	9%	0.092	29%	0.289	C	S	.	.			trans	-103.7	102.4	176	-61.1	166.1	0	0	0	109.3	L97 L107 V108 I115 M122 M126	L97-I110 HydrophobicContact CD2-CG2 4.28Å; L107-I110 HydrophobicContact CD2-CD1 4.22Å; V108-I110 PolarHBondContact O-N 2.99Å; V108-I110 VanDerWaalsContact O-N 3.09Å; I110-I115 HydrophobicContact CG2-CD1 4.12Å; I110-I115 HydrophobicContact CG2-CG1 4.38Å; I110-M122 HydrophobicContact CG1-SD 4.33Å; I110-M126 HydrophobicContact CD1-CB 4.17Å; I110-M126 HydrophobicContact CG2-CB 4.14Å; I110-M126 HydrophobicContact CG2-CG 4.49Å
111	G	85.2	Confident	85.7	Confident	25 Å²	25	52.6 Å²	52.6	26%	0.258	31%	0.308	S	S	.	.			trans	-95	157.6	173.1	0	0	0	0	0	112.7	E113 E114	G111-E113 VanDerWaalsContact C-N 3.27Å; G111-E113 PolarHBondContact O-N 3.42Å; G111-E114 WeakPolarHBondContact O-CB 3.31Å; G111-E114 PolarHBondContact O-N 3.45Å
112	A	90.2	Very high	85.7	Confident	2 Å²	2	52.6 Å²	52.6	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-65.9	-30.1	177.3	0	0	0	0	0	113	I90 V93 N94 L97 E114 I115 V116	I90-A112 HydrophobicContact CG2-CB 4.19Å; V93-A112 HydrophobicContact CB-CB 4.06Å; V93-A112 HydrophobicContact CG1-CB 3.64Å; N94-A112 WeakPolarHBondContact OD1-CB 3.4Å; L97-A112 HydrophobicContact CD1-CB 3.98Å; A112-E114 VanDerWaalsContact C-N 3.33Å; A112-E114 PolarHBondContact O-N 3.06Å; A112-I115 PolarHBondContact O-N 2.78Å; A112-V116 VanDerWaalsContact O-CG2 3.28Å; A112-V116 WeakPolarHBondContact O-CG2 3.48Å; A112-V116 PolarHBondContact O-N 3.04Å
113	E	91	Very high	85.8	Confident	94 Å²	94	48.6 Å²	48.6	44%	0.439	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-44	174	-64.3	79.8	-176.4	0	0	111.5	I90 G111 I115 V116 D117	I90-E113 HydrophobicContact CD1-CG 4.43Å; G111-E113 VanDerWaalsContact C-N 3.27Å; G111-E113 PolarHBondContact O-N 3.42Å; E113-I115 VanDerWaalsContact C-N 3.34Å; E113-I115 PolarHBondContact O-N 2.67Å; E113-V116 PolarHBondContact O-N 3.06Å; E113-D117 VanDerWaalsContact O-CB 3.3Å; E113-D117 WeakPolarHBondContact O-CB 3.5Å; E113-D117 PolarHBondContact O-N 3.49Å
114	E	90.8	Very high	86.1	Confident	73 Å²	73	46.1 Å²	46.1	34%	0.341	26%	0.261	S	S	.	.	H	α-helix	trans	-59.7	-43.6	-178.7	-60.9	-64.3	156.7	0	0	111.7	G111 A112 G118 N119 M122	G111-E114 WeakPolarHBondContact O-CB 3.31Å; G111-E114 PolarHBondContact O-N 3.45Å; A112-E114 VanDerWaalsContact C-N 3.33Å; A112-E114 PolarHBondContact O-N 3.06Å; E114-G118 PolarHBondContact O-N 3.42Å; E114-G118 VanDerWaalsContact O-N 3.1Å; E114-N119 HydrophobicContact CB-CB 4.2Å; E114-N119 WeakPolarHBondContact O-CB 3.49Å; E114-N119 PolarHBondContact O-N 2.69Å; E114-N119 WeakPolarHBondContact OE2-CB 3.48Å; E114-N119 PolarHBondContact OE2-ND2 3.02Å; E114-M122 HydrophobicContact CB-CB 3.83Å; E114-M122 HydrophobicContact CB-CG 3.91Å; E114-M122 HydrophobicContact CG-CG 4.07Å
115	I	91.6	Very high	86.5	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-70.1	-40.8	178.3	-51.4	-59.3	0	0	0	111.1	R60 V93 I110 A112 E113 G118 M122 M126	R60-I115 WeakPolarHBondContact CG-O 3.39Å; V93-I115 HydrophobicContact CG1-CB 3.9Å; V93-I115 HydrophobicContact CG1-CG1 4.12Å; V93-I115 HydrophobicContact CG1-CG2 4.15Å; V93-I115 HydrophobicContact CG2-CB 4.48Å; V93-I115 HydrophobicContact CG2-CG2 4.13Å; I110-I115 HydrophobicContact CG2-CD1 4.12Å; I110-I115 HydrophobicContact CG2-CG1 4.38Å; A112-I115 PolarHBondContact O-N 2.78Å; E113-I115 VanDerWaalsContact C-N 3.34Å; E113-I115 PolarHBondContact O-N 2.67Å; I115-G118 PolarHBondContact O-N 3.04Å; I115-M122 HydrophobicContact CD1-CB 4.43Å; I115-M126 HydrophobicContact CD1-CB 4.15Å; I115-M126 HydrophobicContact CD1-CE 4.05Å; I115-M126 HydrophobicContact CD1-SD 3.75Å; I115-M126 HydrophobicContact CG1-SD 3.91Å; I115-M126 HydrophobicContact CG2-CE 4.25Å; I115-M126 HydrophobicContact CG2-SD 4.5Å
116	V	92.2	Very high	86.9	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-71.9	-31.5	-180	173.7	0	0	0	0	112.2	R60 R86 K89 I90 V93 A112 E113	R60-V116 PolarHBondContact NE-O 3.19Å; R60-V116 PolarHBondContact NH2-O 2.87Å; R86-V116 HydrophobicContact CG-CG1 3.81Å; K89-V116 HydrophobicContact CB-CG1 3.79Å; K89-V116 HydrophobicContact CB-CG2 3.97Å; K89-V116 HydrophobicContact CD-CG1 4.25Å; I90-V116 HydrophobicContact CG1-CB 4.12Å; I90-V116 HydrophobicContact CG1-CG1 4.15Å; I90-V116 HydrophobicContact CG1-CG2 3.82Å; V93-V116 HydrophobicContact CB-CG2 4.19Å; V93-V116 HydrophobicContact CG2-CG2 3.69Å; A112-V116 VanDerWaalsContact O-CG2 3.28Å; A112-V116 WeakPolarHBondContact O-CG2 3.48Å; A112-V116 PolarHBondContact O-N 3.04Å; E113-V116 PolarHBondContact O-N 3.06Å
117	D	91.1	Very high	87.6	Confident	81 Å²	81	35.2 Å²	35.2	43%	0.433	20%	0.202	S	C	.	.	H	α-helix	trans	-84	-15.2	178.3	-67.6	-15.6	0	0	0	112.7	R60 R86 E113	R60-D117 VanDerWaalsContact NH2-C 3.33Å; R60-D117 PolarHBondContact NH2-O 3.49Å; R86-D117 IonicContact CZ-OD1 3.11Å; R86-D117 IonicContact CZ-OD2 3.6Å; R86-D117 IonicContact NE-OD1 3.36Å; R86-D117 PolarHBondContact NE-OD1 3.25Å; R86-D117 IonicContact NE-OD2 3.04Å; R86-D117 IonicContact NH2-OD1 3.79Å; R86-D117 PolarHBondContact NH2-OD1 2.96Å; R86-D117 VanDerWaalsContact NH2-OD1 3.11Å; R86-D117 IonicContact NH2-OD2 2.68Å; R86-D117 PolarHBondContact NH2-OD2 3.39Å; E113-D117 VanDerWaalsContact O-CB 3.3Å; E113-D117 WeakPolarHBondContact O-CB 3.5Å; E113-D117 PolarHBondContact O-N 3.49Å
118	G	87.9	Confident	88.2	Confident	20 Å²	20	34.6 Å²	34.6	21%	0.206	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	30.9	172.8	0	0	0	0	0	113.8	E114 I115 V120	E114-G118 PolarHBondContact O-N 3.42Å; E114-G118 VanDerWaalsContact O-N 3.1Å; I115-G118 PolarHBondContact O-N 3.04Å; G118-V120 PolarHBondContact O-N 3.39Å
119	N	90.1	Very high	88.9	Confident	58 Å²	58	33 Å²	33	31%	0.31	19%	0.187	S	C	.	.			trans	-69.9	95.5	173.6	-177	-17	0	0	0	110	E114 K121 M122 T123	E114-N119 HydrophobicContact CB-CB 4.2Å; E114-N119 WeakPolarHBondContact O-CB 3.49Å; E114-N119 PolarHBondContact O-N 2.69Å; E114-N119 WeakPolarHBondContact OE2-CB 3.48Å; E114-N119 PolarHBondContact OE2-ND2 3.02Å; N119-K121 PolarHBondContact O-N 3.37Å; N119-K121 VanDerWaalsContact O-N 3.14Å; N119-K121 PolarHBondContact OD1-N 3.02Å; N119-M122 HydrophobicContact CB-CB 4.3Å; N119-M122 HydrophobicContact CB-CG 4.28Å; N119-M122 WeakPolarHBondContact ND2-CG 3.29Å; N119-M122 PolarHBondContact O-N 3.39Å; N119-T123 PolarHBondContact O-N 3.14Å; N119-T123 PolarHBondContact O-OG1 2.8Å
120	V	88.4	Confident	89.5	Confident	17 Å²	17	29.3 Å²	29.3	10%	0.103	16%	0.161	C	C	.	.	H	α-helix	trans	-56.7	-33.8	-172.8	71.4	0	0	0	0	114.1	E30 R34 E56 G118 M122 T123 L124	E30-V120 WeakPolarHBondContact OE1-CG1 3.42Å; R34-V120 HydrophobicContact CG-CG2 4.42Å; E56-V120 HydrophobicContact CB-CB 4.08Å; E56-V120 HydrophobicContact CB-CG2 3.91Å; E56-V120 WeakPolarHBondContact OE2-CB 3.1Å; E56-V120 WeakPolarHBondContact OE2-CG2 3.1Å; G118-V120 PolarHBondContact O-N 3.39Å; V120-M122 VanDerWaalsContact C-N 3.34Å; V120-M122 PolarHBondContact O-N 3.43Å; V120-T123 PolarHBondContact O-N 3.02Å; V120-L124 HydrophobicContact CG2-CD1 3.97Å; V120-L124 HydrophobicContact CG2-CG 4.04Å; V120-L124 WeakPolarHBondContact O-CB 3.47Å; V120-L124 VanDerWaalsContact O-CG 3.24Å; V120-L124 WeakPolarHBondContact O-CG 3.35Å; V120-L124 PolarHBondContact O-N 3.17Å
121	K	86.3	Confident	89.9	Confident	93 Å²	93	28.4 Å²	28.4	40%	0.404	16%	0.157	S	C	.	.	H	α-helix	trans	-66.4	-39.3	178.5	-68.7	-172.5	176.4	-174.7	0	111.4	L25 N119 G125	L25-K121 HydrophobicContact CD2-CG 4.34Å; N119-K121 PolarHBondContact O-N 3.37Å; N119-K121 VanDerWaalsContact O-N 3.14Å; N119-K121 PolarHBondContact OD1-N 3.02Å; K121-G125 PolarHBondContact O-N 2.95Å
122	M	88.5	Confident	90.1	Very high	51 Å²	51	30 Å²	30	25%	0.251	16%	0.159	S	C	.	.	H	α-helix	trans	-72.5	-37.1	174.9	-61	-55.5	-170.3	0	0	111.7	S109 I110 E114 I115 N119 V120 G125 M126	S109-M122 WeakPolarHBondContact O-CE 3.46Å; I110-M122 HydrophobicContact CG1-SD 4.33Å; E114-M122 HydrophobicContact CB-CB 3.83Å; E114-M122 HydrophobicContact CB-CG 3.91Å; E114-M122 HydrophobicContact CG-CG 4.07Å; I115-M122 HydrophobicContact CD1-CB 4.43Å; N119-M122 HydrophobicContact CB-CB 4.3Å; N119-M122 HydrophobicContact CB-CG 4.28Å; N119-M122 WeakPolarHBondContact ND2-CG 3.29Å; N119-M122 PolarHBondContact O-N 3.39Å; V120-M122 VanDerWaalsContact C-N 3.34Å; V120-M122 PolarHBondContact O-N 3.43Å; M122-G125 PolarHBondContact O-N 3.37Å; M122-M126 WeakPolarHBondContact O-CB 3.5Å; M122-M126 PolarHBondContact O-N 2.93Å
123	T	90.6	Very high	90	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-46.7	174.6	-52.8	0	0	0	0	112.1	I55 F59 N119 V120 G125 M126 I127	I55-T123 HydrophobicContact CG1-CG2 4.41Å; I55-T123 WeakPolarHBondContact O-CG2 3.41Å; F59-T123 HydrophobicContact CD2-CG2 4.29Å; N119-T123 PolarHBondContact O-N 3.14Å; N119-T123 PolarHBondContact O-OG1 2.8Å; V120-T123 PolarHBondContact O-N 3.02Å; T123-G125 VanDerWaalsContact C-N 3.35Å; T123-M126 HydrophobicContact CG2-CE 4.48Å; T123-M126 PolarHBondContact O-N 2.99Å; T123-I127 WeakPolarHBondContact O-CG1 3.42Å; T123-I127 PolarHBondContact O-N 2.74Å
124	L	90.1	Very high	89.8	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-39.4	174.8	-66.3	173.3	0	0	0	111.5	E30 Q33 R34 F37 I55 V120 I127 W128	E30-L124 HydrophobicContact CG-CD1 3.69Å; Q33-L124 HydrophobicContact CB-CD1 4.31Å; Q33-L124 HydrophobicContact CB-CD2 4.33Å; R34-L124 HydrophobicContact CG-CD1 4.14Å; R34-L124 HydrophobicContact CG-CD2 4.2Å; F37-L124 HydrophobicContact CD2-CB 4.4Å; F37-L124 HydrophobicContact CD2-CD2 3.75Å; F37-L124 HydrophobicContact CE2-CB 4.37Å; F37-L124 HydrophobicContact CE2-CD2 4.4Å; I55-L124 HydrophobicContact CD1-CD2 4.25Å; I55-L124 HydrophobicContact CG2-CD2 4.39Å; V120-L124 HydrophobicContact CG2-CD1 3.97Å; V120-L124 HydrophobicContact CG2-CG 4.04Å; V120-L124 WeakPolarHBondContact O-CB 3.47Å; V120-L124 VanDerWaalsContact O-CG 3.24Å; V120-L124 WeakPolarHBondContact O-CG 3.35Å; V120-L124 PolarHBondContact O-N 3.17Å; L124-I127 PolarHBondContact O-N 2.63Å; L124-W128 WeakPolarHBondContact O-CB 3.37Å; L124-W128 PolarHBondContact O-N 2.88Å
125	G	88.5	Confident	89.6	Confident	22 Å²	22	27.3 Å²	27.3	23%	0.227	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-46.8	173.1	0	0	0	0	0	112.5	K121 M122 T123 W128 T129	K121-G125 PolarHBondContact O-N 2.95Å; M122-G125 PolarHBondContact O-N 3.37Å; T123-G125 VanDerWaalsContact C-N 3.35Å; G125-W128 PolarHBondContact O-N 2.87Å; G125-T129 WeakPolarHBondContact O-CG2 3.44Å; G125-T129 PolarHBondContact O-N 2.84Å
126	M	91.5	Very high	89.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-50.9	176.4	-177.9	-169.2	67.3	0	0	111.6	L65 L97 I100 I110 I115 M122 T123 W128 T129 I130	L65-M126 HydrophobicContact CD1-CE 3.64Å; L65-M126 HydrophobicContact CD1-SD 4.32Å; L65-M126 HydrophobicContact CD2-CE 3.69Å; L65-M126 HydrophobicContact CD2-SD 3.7Å; L65-M126 HydrophobicContact CG-CE 4.3Å; L97-M126 HydrophobicContact CD2-CG 4.18Å; L97-M126 HydrophobicContact CD2-SD 3.77Å; I100-M126 HydrophobicContact CD1-CG 4.5Å; I110-M126 HydrophobicContact CD1-CB 4.17Å; I110-M126 HydrophobicContact CG2-CB 4.14Å; I110-M126 HydrophobicContact CG2-CG 4.49Å; I115-M126 HydrophobicContact CD1-CB 4.15Å; I115-M126 HydrophobicContact CD1-CE 4.05Å; I115-M126 HydrophobicContact CD1-SD 3.75Å; I115-M126 HydrophobicContact CG1-SD 3.91Å; I115-M126 HydrophobicContact CG2-CE 4.25Å; I115-M126 HydrophobicContact CG2-SD 4.5Å; M122-M126 WeakPolarHBondContact O-CB 3.5Å; M122-M126 PolarHBondContact O-N 2.93Å; T123-M126 HydrophobicContact CG2-CE 4.48Å; T123-M126 PolarHBondContact O-N 2.99Å; M126-W128 VanDerWaalsContact C-N 3.29Å; M126-W128 PolarHBondContact O-N 3.07Å; M126-T129 PolarHBondContact O-N 3.2Å; M126-T129 VanDerWaalsContact O-N 3.11Å; M126-T129 PolarHBondContact O-OG1 2.72Å; M126-I130 HydrophobicContact CG-CD1 4.28Å; M126-I130 WeakPolarHBondContact O-CG1 3.28Å; M126-I130 PolarHBondContact O-N 3.4Å
127	I	92.3	Very high	88.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-36.6	179.9	-61	-63.2	0	0	0	111	F37 I55 F59 L65 L68 T123 L124 I130 I131	F37-I127 HydrophobicContact CB-CG2 3.82Å; F37-I127 HydrophobicContact CD2-CB 4.34Å; F37-I127 HydrophobicContact CD2-CG2 4.19Å; F37-I127 HydrophobicContact CG-CG2 4.1Å; I55-I127 HydrophobicContact CD1-CG1 4.23Å; F59-I127 HydrophobicContact CD2-CD1 3.98Å; F59-I127 HydrophobicContact CD2-CG1 4.34Å; F59-I127 HydrophobicContact CE2-CD1 3.45Å; F59-I127 VanDerWaalsContact CE2-CD1 3.45Å; F59-I127 HydrophobicContact CE2-CG1 3.97Å; F59-I127 HydrophobicContact CZ-CD1 3.99Å; L65-I127 HydrophobicContact CD1-CD1 4.15Å; L68-I127 HydrophobicContact CD2-CD1 4.39Å; T123-I127 WeakPolarHBondContact O-CG1 3.42Å; T123-I127 PolarHBondContact O-N 2.74Å; L124-I127 PolarHBondContact O-N 2.63Å; I127-I130 HydrophobicContact CD1-CD1 4.14Å; I127-I130 PolarHBondContact O-N 3.44Å; I127-I131 HydrophobicContact CG2-CD1 3.86Å; I127-I131 HydrophobicContact CG2-CG1 4.37Å; I127-I131 VanDerWaalsContact O-CG1 3.31Å; I127-I131 WeakPolarHBondContact O-CG1 3.18Å; I127-I131 PolarHBondContact O-N 2.6Å
128	W	91.2	Very high	88.2	Confident	29 Å²	29	33.4 Å²	33.4	11%	0.11	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-45.8	171	172.7	-109.9	0	0	0	112.6	F37 L124 G125 M126 I130 I131 L132 I136 K236 M239	F37-W128 HydrophobicContact CE1-CE3 4.14Å; F37-W128 HydrophobicContact CE2-CB 3.98Å; F37-W128 HydrophobicContact CZ-CB 4.02Å; F37-W128 HydrophobicContact CZ-CD2 4.49Å; F37-W128 AromaticContact CZ-CE3 3.87Å; F37-W128 HydrophobicContact CZ-CE3 3.87Å; L124-W128 WeakPolarHBondContact O-CB 3.37Å; L124-W128 PolarHBondContact O-N 2.88Å; G125-W128 PolarHBondContact O-N 2.87Å; M126-W128 VanDerWaalsContact C-N 3.29Å; M126-W128 PolarHBondContact O-N 3.07Å; W128-I130 VanDerWaalsContact C-N 3.27Å; W128-I130 PolarHBondContact O-N 3.23Å; W128-I131 HydrophobicContact CE3-CG2 4.5Å; W128-I131 HydrophobicContact CZ3-CG2 4.37Å; W128-I131 PolarHBondContact O-N 2.91Å; W128-L132 HydrophobicContact CZ2-CB 4.47Å; W128-L132 HydrophobicContact CZ2-CD1 4.21Å; W128-L132 WeakPolarHBondContact O-CB 3.47Å; W128-L132 PolarHBondContact O-N 3.45Å; W128-I136 HydrophobicContact CH2-CD1 4.14Å; W128-I136 HydrophobicContact CZ3-CD1 4.36Å; W128-K236 HydrophobicContact CB-CD 4.43Å; W128-K236 HydrophobicContact CD2-CB 4.04Å; W128-K236 HydrophobicContact CD2-CD 3.58Å; W128-K236 HydrophobicContact CD2-CG 3.79Å; W128-K236 HydrophobicContact CE3-CB 3.6Å; W128-K236 HydrophobicContact CE3-CD 4.04Å; W128-K236 HydrophobicContact CE3-CG 3.88Å; W128-K236 HydrophobicContact CG-CD 3.73Å; W128-K236 HydrophobicContact CG-CG 4.46Å; W128-K236 HydrophobicContact CH2-CB 3.98Å; W128-K236 HydrophobicContact CH2-CG 3.92Å; W128-K236 HydrophobicContact CZ2-CB 4.4Å; W128-K236 HydrophobicContact CZ2-CD 4.37Å; W128-K236 HydrophobicContact CZ2-CG 3.86Å; W128-K236 HydrophobicContact CZ3-CB 3.56Å; W128-K236 HydrophobicContact CZ3-CG 3.94Å; W128-M239 HydrophobicContact CH2-CB 4.06Å; W128-M239 HydrophobicContact CH2-CE 4.03Å; W128-M239 HydrophobicContact CH2-SD 4.02Å; W128-M239 HydrophobicContact CZ2-CE 4.49Å; W128-M239 HydrophobicContact CZ3-CB 4.41Å
129	T	88.9	Confident	87.7	Confident	25 Å²	25	32.5 Å²	32.5	15%	0.153	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-31.5	178.9	58.9	0	0	0	0	112.9	V105 G125 M126 R133	V105-T129 HydrophobicContact CG1-CG2 4.37Å; G125-T129 WeakPolarHBondContact O-CG2 3.44Å; G125-T129 PolarHBondContact O-N 2.84Å; M126-T129 PolarHBondContact O-N 3.2Å; M126-T129 VanDerWaalsContact O-N 3.11Å; M126-T129 PolarHBondContact O-OG1 2.72Å; T129-R133 WeakPolarHBondContact O-CB 3.32Å; T129-R133 PolarHBondContact O-N 2.96Å
130	I	90.5	Very high	86.7	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.6	-50.1	172.3	-64.4	168.5	0	0	0	110.4	W40 L65 L69 I72 I100 M126 I127 W128 L132 R133 F134	W40-I130 HydrophobicContact CH2-CG2 4.11Å; W40-I130 HydrophobicContact CZ3-CG2 4.34Å; L65-I130 HydrophobicContact CD1-CD1 3.98Å; L69-I130 HydrophobicContact CD2-CD1 4.11Å; L69-I130 HydrophobicContact CD2-CG1 4.37Å; L69-I130 HydrophobicContact CD2-CG2 4.34Å; I72-I130 HydrophobicContact CD1-CG2 3.35Å; I100-I130 HydrophobicContact CD1-CD1 3.59Å; I100-I130 HydrophobicContact CD1-CG1 3.82Å; I100-I130 HydrophobicContact CG1-CD1 4.29Å; I100-I130 HydrophobicContact CG1-CG1 4.09Å; M126-I130 HydrophobicContact CG-CD1 4.28Å; M126-I130 WeakPolarHBondContact O-CG1 3.28Å; M126-I130 PolarHBondContact O-N 3.4Å; I127-I130 HydrophobicContact CD1-CD1 4.14Å; I127-I130 PolarHBondContact O-N 3.44Å; W128-I130 VanDerWaalsContact C-N 3.27Å; W128-I130 PolarHBondContact O-N 3.23Å; I130-L132 VanDerWaalsContact C-N 3.33Å; I130-L132 PolarHBondContact O-N 3.27Å; I130-R133 PolarHBondContact O-N 3.35Å; I130-F134 HydrophobicContact CG2-CD2 3.89Å; I130-F134 HydrophobicContact CG2-CE2 4.38Å; I130-F134 WeakPolarHBondContact O-CD2 3.46Å; I130-F134 PolarHBondContact O-N 3.46Å
131	I	91.5	Very high	85.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.9	-47.7	177.7	-68.6	163.9	0	0	0	110.6	F37 W40 I127 W128 R133 A135 I136 T240	F37-I131 HydrophobicContact CB-CD1 4.47Å; F37-I131 HydrophobicContact CD1-CD1 3.46Å; F37-I131 VanDerWaalsContact CD1-CD1 3.46Å; F37-I131 HydrophobicContact CE1-CD1 3.81Å; F37-I131 HydrophobicContact CG-CD1 3.95Å; W40-I131 HydrophobicContact CD2-CD1 3.97Å; W40-I131 HydrophobicContact CD2-CG1 3.58Å; W40-I131 HydrophobicContact CE3-CD1 3.84Å; W40-I131 HydrophobicContact CE3-CG1 3.45Å; W40-I131 VanDerWaalsContact CE3-CG1 3.45Å; W40-I131 HydrophobicContact CG-CD1 4.29Å; W40-I131 HydrophobicContact CG-CG1 4.31Å; W40-I131 HydrophobicContact CH2-CG1 3.81Å; W40-I131 HydrophobicContact CZ2-CG1 3.93Å; W40-I131 HydrophobicContact CZ3-CD1 4.37Å; W40-I131 HydrophobicContact CZ3-CG1 3.57Å; I127-I131 HydrophobicContact CG2-CD1 3.86Å; I127-I131 HydrophobicContact CG2-CG1 4.37Å; I127-I131 VanDerWaalsContact O-CG1 3.31Å; I127-I131 WeakPolarHBondContact O-CG1 3.18Å; I127-I131 PolarHBondContact O-N 2.6Å; W128-I131 HydrophobicContact CE3-CG2 4.5Å; W128-I131 HydrophobicContact CZ3-CG2 4.37Å; W128-I131 PolarHBondContact O-N 2.91Å; I131-R133 VanDerWaalsContact C-N 3.34Å; I131-R133 PolarHBondContact O-N 3.25Å; I131-A135 HydrophobicContact CG2-CB 4.43Å; I131-A135 WeakPolarHBondContact O-CA 3.4Å; I131-A135 WeakPolarHBondContact O-CB 3.48Å; I131-A135 PolarHBondContact O-N 2.89Å; I131-I136 HydrophobicContact CG2-CD1 4.23Å; I131-I136 PolarHBondContact O-N 3.1Å; I131-T240 HydrophobicContact CD1-CG2 3.98Å; I131-T240 HydrophobicContact CG2-CG2 4.04Å
132	L	89	Confident	84.4	Confident	57 Å²	57	35.2 Å²	35.2	30%	0.298	19%	0.187	S	C	.	.	I	π-helix	trans	-56.1	-50.1	178.5	-177.7	62.8	0	0	0	110.2	W128 I130 I136 Q137	W128-L132 HydrophobicContact CZ2-CB 4.47Å; W128-L132 HydrophobicContact CZ2-CD1 4.21Å; W128-L132 WeakPolarHBondContact O-CB 3.47Å; W128-L132 PolarHBondContact O-N 3.45Å; I130-L132 VanDerWaalsContact C-N 3.33Å; I130-L132 PolarHBondContact O-N 3.27Å; L132-I136 HydrophobicContact CD1-CB 4.27Å; L132-I136 HydrophobicContact CD1-CG2 4.36Å; L132-I136 CarbonylContact O-C 3.6Å; L132-I136 PolarHBondContact O-N 2.99Å; L132-Q137 VanDerWaalsContact O-CB 3.31Å; L132-Q137 WeakPolarHBondContact O-CB 3.32Å; L132-Q137 PolarHBondContact O-N 3.38Å
133	R	87.4	Confident	83.3	Confident	57 Å²	57	42.3 Å²	42.3	22%	0.215	22%	0.22	C	C	.	.	I	π-helix	trans	-67.1	-48.9	-177.4	-179.3	61.8	-169.6	109.7	-11	114.1	K103 V105 T129 I130 I131 D138	K103-R133 PolarHBondContact O-NE 3.03Å; V105-R133 HydrophobicContact CG2-CB 3.55Å; V105-R133 HydrophobicContact CG2-CG 3.57Å; T129-R133 WeakPolarHBondContact O-CB 3.32Å; T129-R133 PolarHBondContact O-N 2.96Å; I130-R133 PolarHBondContact O-N 3.35Å; I131-R133 VanDerWaalsContact C-N 3.34Å; I131-R133 PolarHBondContact O-N 3.25Å; R133-D138 IonicContact CZ-OD1 3.85Å; R133-D138 IonicContact NH1-OD1 2.78Å; R133-D138 PolarHBondContact NH1-OD1 3.49Å; R133-D138 IonicContact NH1-OD2 3.19Å; R133-D138 PolarHBondContact NH1-OD2 2.81Å; R133-D138 IonicContact NH2-OD1 2.8Å
134	F	87.7	Confident	82.3	Confident	49 Å²	49	44.4 Å²	44.4	22%	0.215	23%	0.233	C	C	.	.	I	π-helix	trans	-95.5	-15.4	-167.9	-70.8	-85.2	0	0	0	114.2	L69 I72 F99 K103 I130	L69-F134 HydrophobicContact CD2-CE2 4.44Å; I72-F134 HydrophobicContact CD1-CB 4.04Å; I72-F134 HydrophobicContact CD1-CD1 4.22Å; I72-F134 HydrophobicContact CD1-CD2 3.59Å; I72-F134 HydrophobicContact CD1-CE2 4.01Å; I72-F134 HydrophobicContact CD1-CG 3.7Å; I72-F134 HydrophobicContact CD1-CZ 4.47Å; I72-F134 HydrophobicContact CG1-CB 4.45Å; I72-F134 HydrophobicContact CG1-CD1 4.08Å; I72-F134 HydrophobicContact CG1-CD2 4.33Å; I72-F134 HydrophobicContact CG1-CE1 4.37Å; I72-F134 HydrophobicContact CG1-CG 4.05Å; F99-F134 HydrophobicContact CE1-CZ 4.31Å; K103-F134 HydrophobicContact CB-CZ 4.02Å; K103-F134 HydrophobicContact CG-CZ 3.97Å; I130-F134 HydrophobicContact CG2-CD2 3.89Å; I130-F134 HydrophobicContact CG2-CE2 4.38Å; I130-F134 WeakPolarHBondContact O-CD2 3.46Å; I130-F134 PolarHBondContact O-N 3.46Å
135	A	86.5	Confident	81.3	Confident	8 Å²	8	47.6 Å²	47.6	7%	0.066	26%	0.255	C	S	.	.	I	π-helix	trans	-124.7	-8.3	-178.2	0	0	0	0	0	114.6	W40 I131 H247	W40-A135 HydrophobicContact CZ2-CB 4.26Å; I131-A135 HydrophobicContact CG2-CB 4.43Å; I131-A135 WeakPolarHBondContact O-CA 3.4Å; I131-A135 WeakPolarHBondContact O-CB 3.48Å; I131-A135 PolarHBondContact O-N 2.89Å; A135-H247 PolarHBondContact O-NE2 3.4Å
136	I	86.8	Confident	80.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.	I	π-helix	trans	-130.6	-37.7	-177.6	-52	-176.4	0	0	0	112.4	W128 I131 L132 D138 I139 L150 M239	W128-I136 HydrophobicContact CH2-CD1 4.14Å; W128-I136 HydrophobicContact CZ3-CD1 4.36Å; I131-I136 HydrophobicContact CG2-CD1 4.23Å; I131-I136 PolarHBondContact O-N 3.1Å; L132-I136 HydrophobicContact CD1-CB 4.27Å; L132-I136 HydrophobicContact CD1-CG2 4.36Å; L132-I136 CarbonylContact O-C 3.6Å; L132-I136 PolarHBondContact O-N 2.99Å; I136-D138 VanDerWaalsContact C-N 3.34Å; I136-D138 PolarHBondContact O-N 2.99Å; I136-I139 VanDerWaalsContact O-CB 3.32Å; I136-I139 WeakPolarHBondContact O-CB 3.2Å; I136-I139 WeakPolarHBondContact O-CG1 3.24Å; I136-I139 PolarHBondContact O-N 2.69Å; I136-I139 VanDerWaalsContact O-N 3.14Å; I136-L150 HydrophobicContact CG2-CD2 4.37Å; I136-M239 HydrophobicContact CD1-CB 4.03Å; I136-M239 HydrophobicContact CD1-CE 3.96Å; I136-M239 HydrophobicContact CG2-CE 4.12Å
137	Q	83	Confident	80.4	Confident	94 Å²	94	51.5 Å²	51.5	44%	0.439	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-33.2	-170.7	-170.6	168.2	-14.1	0	0	113.9	L132 I139	L132-Q137 VanDerWaalsContact O-CB 3.31Å; L132-Q137 WeakPolarHBondContact O-CB 3.32Å; L132-Q137 PolarHBondContact O-N 3.38Å; Q137-I139 PolarHBondContact O-N 3.23Å
138	D	76.6	Confident	80	Confident	118 Å²	118	56.7 Å²	56.7	63%	0.631	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	11.2	179.1	-54.9	-34.2	0	0	0	112.8	R133 I136 S140	R133-D138 IonicContact CZ-OD1 3.85Å; R133-D138 IonicContact NH1-OD1 2.78Å; R133-D138 PolarHBondContact NH1-OD1 3.49Å; R133-D138 IonicContact NH1-OD2 3.19Å; R133-D138 PolarHBondContact NH1-OD2 2.81Å; R133-D138 IonicContact NH2-OD1 2.8Å; I136-D138 VanDerWaalsContact C-N 3.34Å; I136-D138 PolarHBondContact O-N 2.99Å; D138-S140 PolarHBondContact O-N 3.47Å
139	I	76.5	Confident	79.7	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	29%	0.288	C	S	.	.			trans	-85.4	104.3	171.9	-59.8	-179.5	0	0	0	108.8	I136 Q137 V141 A146 L150 Y246	I136-I139 VanDerWaalsContact O-CB 3.32Å; I136-I139 WeakPolarHBondContact O-CB 3.2Å; I136-I139 WeakPolarHBondContact O-CG1 3.24Å; I136-I139 PolarHBondContact O-N 2.69Å; I136-I139 VanDerWaalsContact O-N 3.14Å; Q137-I139 PolarHBondContact O-N 3.23Å; I139-V141 HydrophobicContact CG2-CG2 4.28Å; I139-A146 WeakPolarHBondContact O-CA 3.34Å; I139-A146 PolarHBondContact O-N 3.24Å; I139-L150 HydrophobicContact CD1-CB 4.48Å; I139-L150 HydrophobicContact CD1-CD1 4.06Å; I139-L150 HydrophobicContact CD1-CD2 4.44Å; I139-L150 HydrophobicContact CG2-CB 4.36Å; I139-Y246 HydrophobicContact CB-CE1 4.29Å; I139-Y246 HydrophobicContact CD1-CD1 3.55Å; I139-Y246 HydrophobicContact CD1-CE1 4.02Å; I139-Y246 HydrophobicContact CD1-CG 3.92Å; I139-Y246 HydrophobicContact CG1-CD1 3.81Å; I139-Y246 HydrophobicContact CG1-CE1 3.75Å; I139-Y246 HydrophobicContact CG2-CD1 4.27Å; I139-Y246 HydrophobicContact CG2-CD2 4.3Å; I139-Y246 HydrophobicContact CG2-CE1 3.85Å; I139-Y246 HydrophobicContact CG2-CE2 3.89Å; I139-Y246 HydrophobicContact CG2-CG 4.49Å
140	S	69.4	Low	79.7	Confident	90 Å²	90	54.1 Å²	54.1	63%	0.629	28%	0.281	S	S	*	.			trans	-109.6	132.7	168.1	59.9	0	0	0	0	110.9	D138	D138-S140 PolarHBondContact O-N 3.47Å
141	V	64.6	Low	79.8	Confident	26 Å²	26	55.9 Å²	55.9	16%	0.158	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-143.8	123.1	177.2	179	0	0	0	0	107.4	I139 E143 T144 W153 Y246	I139-V141 HydrophobicContact CG2-CG2 4.28Å; V141-E143 PolarHBondContact O-N 2.89Å; V141-T144 PolarHBondContact O-N 3.35Å; V141-T144 VanDerWaalsContact O-N 3.15Å; V141-T144 PolarHBondContact O-OG1 2.93Å; V141-W153 HydrophobicContact CG2-CB 4.25Å; V141-Y246 HydrophobicContact CG2-CE2 4.11Å
142	E	62	Low	79.5	Confident	109 Å²	109	57.3 Å²	57.3	51%	0.509	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	45.7	-176.8	-59.5	173.9	-149.4	0	0	111.9	T144 L152 R156	E142-T144 PolarHBondContact O-N 3.02Å; E142-L152 HydrophobicContact CB-CD2 3.88Å; E142-L152 HydrophobicContact CG-CD2 4.3Å; E142-R156 IonicContact OE1-CZ 2.86Å; E142-R156 IonicContact OE1-NE 3.02Å; E142-R156 PolarHBondContact OE1-NE 3.08Å; E142-R156 IonicContact OE1-NH2 3.24Å; E142-R156 PolarHBondContact OE1-NH2 3.03Å; E142-R156 IonicContact OE2-CZ 3.48Å; E142-R156 IonicContact OE2-NE 3.05Å; E142-R156 IonicContact OE2-NH2 3.94Å; E142-R156 PolarHBondContact OE2-NH2 3.12Å
143	E	64.7	Low	79.5	Confident	200 Å²	200	54.9 Å²	54.9	94%	0.935	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	-2.5	-179.1	-58.6	-178.8	170.3	0	0	116.9	V141	V141-E143 PolarHBondContact O-N 2.89Å
144	T	70.2	Confident	79.7	Confident	45 Å²	45	52.2 Å²	52.2	28%	0.276	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-74.6	153.1	179.7	61.3	0	0	0	0	113.5	V141 E142 G149 L152	V141-T144 PolarHBondContact O-N 3.35Å; V141-T144 VanDerWaalsContact O-N 3.15Å; V141-T144 PolarHBondContact O-OG1 2.93Å; E142-T144 PolarHBondContact O-N 3.02Å; T144-G149 WeakPolarHBondContact OG1-CA 3.29Å; T144-G149 PolarHBondContact OG1-N 2.99Å; T144-L152 HydrophobicContact CG2-CD2 4.16Å
145	S	68.2	Low	80	Confident	69 Å²	69	53.2 Å²	53.2	48%	0.483	28%	0.28	S	S	.	.			trans	-74.1	135.8	-173.6	78	0	0	0	0	112.2	K147 E148 G149	S145-K147 CarbonylContact O-C 3.56Å; S145-K147 PolarHBondContact O-N 3.14Å; S145-E148 WeakPolarHBondContact CB-OE2 3.44Å; S145-E148 PolarHBondContact N-OE2 2.98Å; S145-E148 WeakPolarHBondContact O-CA 3.11Å; S145-E148 VanDerWaalsContact O-CB 3.31Å; S145-E148 WeakPolarHBondContact O-CB 3.47Å; S145-E148 PolarHBondContact O-N 3.29Å; S145-E148 PolarHBondContact OG-OE2 3.01Å; S145-G149 PolarHBondContact O-N 3.37Å
146	A	77.9	Confident	79.9	Confident	20 Å²	20	59.9 Å²	59.9	17%	0.165	30%	0.303	C	S	.	.	H	α-helix	trans	18.3	-82.6	163.7	0	0	0	0	0	118.1	I139 L150	I139-A146 WeakPolarHBondContact O-CA 3.34Å; I139-A146 PolarHBondContact O-N 3.24Å; A146-L150 WeakPolarHBondContact O-CB 3.41Å; A146-L150 PolarHBondContact O-N 2.83Å
147	K	83.7	Confident	80	Confident	83 Å²	83	61.9 Å²	61.9	36%	0.361	31%	0.312	S	S	.	.	H	α-helix	trans	-65.5	-43.3	-178.1	177.9	-178.8	-176.5	-178.1	0	112	S145 L151 F169 E235 M239	S145-K147 CarbonylContact O-C 3.56Å; S145-K147 PolarHBondContact O-N 3.14Å; K147-L151 WeakPolarHBondContact O-CB 3.48Å; K147-L151 PolarHBondContact O-N 3.31Å; K147-F169 HydrophobicContact CG-CE2 4.16Å; K147-E235 WeakPolarHBondContact CE-OE1 3.44Å; K147-E235 IonicContact NZ-OE1 2.78Å; K147-E235 PolarHBondContact NZ-OE1 2.73Å; K147-M239 HydrophobicContact CB-CE 4.04Å; K147-M239 HydrophobicContact CD-CE 4.19Å; K147-M239 HydrophobicContact CD-SD 4.35Å; K147-M239 HydrophobicContact CG-CE 3.72Å; K147-M239 HydrophobicContact CG-SD 4.26Å
148	E	84.8	Confident	80.4	Confident	110 Å²	110	57.6 Å²	57.6	51%	0.514	29%	0.292	S	S	.	.	H	α-helix	trans	-68.7	-43.5	177.5	-55.3	172.6	127.3	0	0	110.2	S145 L150 L151 L152	S145-E148 WeakPolarHBondContact CB-OE2 3.44Å; S145-E148 PolarHBondContact N-OE2 2.98Å; S145-E148 WeakPolarHBondContact O-CA 3.11Å; S145-E148 VanDerWaalsContact O-CB 3.31Å; S145-E148 WeakPolarHBondContact O-CB 3.47Å; S145-E148 PolarHBondContact O-N 3.29Å; S145-E148 PolarHBondContact OG-OE2 3.01Å; E148-L150 PolarHBondContact O-N 3.36Å; E148-L151 PolarHBondContact O-N 3.09Å; E148-L151 VanDerWaalsContact O-N 3.12Å; E148-L152 VanDerWaalsContact O-CB 3.24Å; E148-L152 WeakPolarHBondContact O-CB 3.43Å; E148-L152 PolarHBondContact O-N 3.36Å
149	G	84.7	Confident	81	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.8	-43.9	175.5	0	0	0	0	0	112.9	T144 S145 W153	T144-G149 WeakPolarHBondContact OG1-CA 3.29Å; T144-G149 PolarHBondContact OG1-N 2.99Å; S145-G149 PolarHBondContact O-N 3.37Å; G149-W153 WeakPolarHBondContact O-CB 3.35Å; G149-W153 PolarHBondContact O-N 2.8Å
150	L	89.1	Confident	81.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65	-39	173.6	-176.2	60.8	0	0	0	112.2	I136 I139 A146 E148 W153 C154 F169 V242 Y246	I136-L150 HydrophobicContact CG2-CD2 4.37Å; I139-L150 HydrophobicContact CD1-CB 4.48Å; I139-L150 HydrophobicContact CD1-CD1 4.06Å; I139-L150 HydrophobicContact CD1-CD2 4.44Å; I139-L150 HydrophobicContact CG2-CB 4.36Å; A146-L150 WeakPolarHBondContact O-CB 3.41Å; A146-L150 PolarHBondContact O-N 2.83Å; E148-L150 PolarHBondContact O-N 3.36Å; L150-W153 HydrophobicContact CD1-CE3 4.13Å; L150-W153 HydrophobicContact CD1-CZ3 4.45Å; L150-C154 PolarHBondContact O-N 2.89Å; L150-C154 VanDerWaalsContact O-N 3.11Å; L150-C154 PolarHBondContact O-SG 3.35Å; L150-F169 HydrophobicContact CB-CZ 4.11Å; L150-F169 HydrophobicContact CD2-CE1 4.24Å; L150-F169 HydrophobicContact CD2-CZ 4.01Å; L150-F169 HydrophobicContact CG-CE1 4.16Å; L150-F169 HydrophobicContact CG-CZ 3.81Å; L150-V242 HydrophobicContact CD1-CG1 4.21Å; L150-V242 HydrophobicContact CG-CG1 4.36Å; L150-Y246 HydrophobicContact CD1-CD2 4.09Å; L150-Y246 HydrophobicContact CD1-CG 4.04Å
151	L	91.1	Very high	82.5	Confident	36 Å²	36	56.7 Å²	56.7	19%	0.188	29%	0.294	C	S	.	.	H	α-helix	trans	-68	-45.7	178.7	-177.2	63.8	0	0	0	111.4	K147 E148 C154 Q155 I166 F169	K147-L151 WeakPolarHBondContact O-CB 3.48Å; K147-L151 PolarHBondContact O-N 3.31Å; E148-L151 PolarHBondContact O-N 3.09Å; E148-L151 VanDerWaalsContact O-N 3.12Å; L151-C154 WeakPolarHBondContact O-CB 3.36Å; L151-C154 PolarHBondContact O-N 3.38Å; L151-Q155 WeakPolarHBondContact O-CG 3.31Å; L151-Q155 PolarHBondContact O-N 3.1Å; L151-I166 HydrophobicContact CD1-CG2 3.76Å; L151-F169 HydrophobicContact CB-CE2 3.84Å; L151-F169 HydrophobicContact CB-CZ 3.83Å; L151-F169 HydrophobicContact CD1-CE2 4.14Å; L151-F169 HydrophobicContact CD1-CZ 4.13Å
152	L	86.7	Confident	83.5	Confident	30 Å²	30	65.6 Å²	65.6	16%	0.157	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-43.5	176.8	-179.8	60.2	0	0	0	110.7	E142 T144 E148 C154 Q155 R156	E142-L152 HydrophobicContact CB-CD2 3.88Å; E142-L152 HydrophobicContact CG-CD2 4.3Å; T144-L152 HydrophobicContact CG2-CD2 4.16Å; E148-L152 VanDerWaalsContact O-CB 3.24Å; E148-L152 WeakPolarHBondContact O-CB 3.43Å; E148-L152 PolarHBondContact O-N 3.36Å; L152-C154 PolarHBondContact O-N 3.27Å; L152-Q155 WeakPolarHBondContact O-CB 3.42Å; L152-Q155 PolarHBondContact O-N 3.38Å; L152-R156 HydrophobicContact CD1-CG 4.15Å; L152-R156 HydrophobicContact CG-CG 4.33Å; L152-R156 WeakPolarHBondContact O-CB 3.49Å; L152-R156 VanDerWaalsContact O-CG 3.24Å; L152-R156 WeakPolarHBondContact O-CG 3.47Å; L152-R156 PolarHBondContact O-N 3.37Å
153	W	88.6	Confident	84.8	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.027	32%	0.322	C	S	.	.	H	α-helix	trans	-57.8	-46.6	172.7	177	88.7	0	0	0	112.1	V141 G149 L150 Q155 R156 K157 L182 H186 F245 Y246 F249	V141-W153 HydrophobicContact CG2-CB 4.25Å; G149-W153 WeakPolarHBondContact O-CB 3.35Å; G149-W153 PolarHBondContact O-N 2.8Å; L150-W153 HydrophobicContact CD1-CE3 4.13Å; L150-W153 HydrophobicContact CD1-CZ3 4.45Å; W153-Q155 PolarHBondContact O-N 2.84Å; W153-R156 PolarHBondContact O-N 3.33Å; W153-K157 HydrophobicContact CD2-CG 4.25Å; W153-K157 HydrophobicContact CG-CG 4.36Å; W153-K157 VanDerWaalsContact NE1-CE 3.31Å; W153-K157 WeakPolarHBondContact O-CB 3.46Å; W153-K157 VanDerWaalsContact O-CG 3.23Å; W153-K157 WeakPolarHBondContact O-CG 3.44Å; W153-K157 PolarHBondContact O-N 2.99Å; W153-L182 HydrophobicContact CE3-CD1 4.24Å; W153-L182 HydrophobicContact CH2-CD1 3.67Å; W153-L182 HydrophobicContact CH2-CD2 3.82Å; W153-L182 HydrophobicContact CH2-CG 4.02Å; W153-L182 HydrophobicContact CZ2-CD1 4.25Å; W153-L182 HydrophobicContact CZ3-CD1 3.67Å; W153-L182 HydrophobicContact CZ3-CD2 3.68Å; W153-L182 HydrophobicContact CZ3-CG 4.17Å; W153-H186 AromaticContact CZ2-CE1 3.66Å; W153-H186 AromaticContact CZ2-NE2 3.95Å; W153-F245 HydrophobicContact CH2-CB 4.44Å; W153-Y246 HydrophobicContact CB-CD2 4.45Å; W153-Y246 HydrophobicContact CB-CE2 4.43Å; W153-Y246 AromaticContact CD1-CD2 3.97Å; W153-Y246 AromaticContact CD1-CE2 3.76Å; W153-Y246 AromaticContact CD2-CD2 3.54Å; W153-Y246 HydrophobicContact CD2-CD2 3.54Å; W153-Y246 HydrophobicContact CD2-CE2 4.13Å; W153-Y246 AromaticContact CE2-CD2 3.62Å; W153-Y246 AromaticContact CE3-CD2 3.86Å; W153-Y246 HydrophobicContact CE3-CD2 3.86Å; W153-Y246 AromaticContact CG-CD2 3.79Å; W153-Y246 HydrophobicContact CG-CD2 3.79Å; W153-Y246 AromaticContact CG-CE2 3.9Å; W153-Y246 HydrophobicContact CG-CE2 3.9Å; W153-Y246 HydrophobicContact CH2-CD2 4.34Å; W153-Y246 HydrophobicContact CZ2-CD2 4.07Å; W153-Y246 HydrophobicContact CZ3-CD2 4.23Å; W153-Y246 AromaticContact NE1-CD2 3.86Å; W153-Y246 AromaticContact NE1-CE2 3.89Å; W153-F249 HydrophobicContact CH2-CD2 4.12Å; W153-F249 HydrophobicContact CZ2-CB 4.21Å; W153-F249 HydrophobicContact CZ2-CD2 4.28Å
154	C	92.1	Very high	86.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-46.1	175.8	-65	0	0	0	0	111.6	L150 L151 L152 T158 I166 W173 V242	L150-C154 PolarHBondContact O-N 2.89Å; L150-C154 VanDerWaalsContact O-N 3.11Å; L150-C154 PolarHBondContact O-SG 3.35Å; L151-C154 WeakPolarHBondContact O-CB 3.36Å; L151-C154 PolarHBondContact O-N 3.38Å; L152-C154 PolarHBondContact O-N 3.27Å; C154-T158 WeakPolarHBondContact O-CB 3.23Å; C154-T158 VanDerWaalsContact O-CG2 3.3Å; C154-T158 WeakPolarHBondContact O-CG2 3.06Å; C154-T158 PolarHBondContact O-N 2.93Å; C154-T158 PolarHBondContact O-OG1 2.76Å; C154-I166 HydrophobicContact CB-CG2 4.05Å; C154-W173 HydrophobicContact CB-CH2 4.13Å; C154-W173 HydrophobicContact CB-CZ2 3.91Å; C154-V242 WeakPolarHBondContact SG-CG1 3.28Å
155	Q	92.1	Very high	87.2	Confident	71 Å²	71	57.5 Å²	57.5	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-58.3	-53.9	175.9	-74.6	171.4	-8.2	0	0	111.7	L151 L152 W153 K157 T158 A159 I166	L151-Q155 WeakPolarHBondContact O-CG 3.31Å; L151-Q155 PolarHBondContact O-N 3.1Å; L152-Q155 WeakPolarHBondContact O-CB 3.42Å; L152-Q155 PolarHBondContact O-N 3.38Å; W153-Q155 PolarHBondContact O-N 2.84Å; Q155-K157 PolarHBondContact O-N 2.82Å; Q155-T158 PolarHBondContact O-N 3.19Å; Q155-T158 PolarHBondContact O-OG1 3.12Å; Q155-A159 WeakPolarHBondContact O-CB 3.48Å; Q155-A159 PolarHBondContact O-N 2.96Å; Q155-I166 HydrophobicContact CG-CB 4.27Å; Q155-I166 WeakPolarHBondContact CG-O 3.44Å; Q155-I166 PolarHBondContact NE2-O 2.99Å
156	R	86.3	Confident	88.5	Confident	147 Å²	147	54.3 Å²	54.3	56%	0.555	27%	0.273	S	S	*	.	H	α-helix	trans	-57.2	-45	179.5	-69.1	-70.9	-165	-151.3	-2.9	112.3	E142 L152 W153	E142-R156 IonicContact OE1-CZ 2.86Å; E142-R156 IonicContact OE1-NE 3.02Å; E142-R156 PolarHBondContact OE1-NE 3.08Å; E142-R156 IonicContact OE1-NH2 3.24Å; E142-R156 PolarHBondContact OE1-NH2 3.03Å; E142-R156 IonicContact OE2-CZ 3.48Å; E142-R156 IonicContact OE2-NE 3.05Å; E142-R156 IonicContact OE2-NH2 3.94Å; E142-R156 PolarHBondContact OE2-NH2 3.12Å; L152-R156 HydrophobicContact CD1-CG 4.15Å; L152-R156 HydrophobicContact CG-CG 4.33Å; L152-R156 WeakPolarHBondContact O-CB 3.49Å; L152-R156 VanDerWaalsContact O-CG 3.24Å; L152-R156 WeakPolarHBondContact O-CG 3.47Å; L152-R156 PolarHBondContact O-N 3.37Å; W153-R156 PolarHBondContact O-N 3.33Å
157	K	88.7	Confident	89.2	Confident	43 Å²	43	59.1 Å²	59.1	19%	0.187	29%	0.293	C	S	.	.	H	α-helix	trans	-72.8	-31.5	-178.7	-61.9	-69.2	-175.2	164.9	0	112.4	W153 Q155 L182 R185 H186	W153-K157 HydrophobicContact CD2-CG 4.25Å; W153-K157 HydrophobicContact CG-CG 4.36Å; W153-K157 VanDerWaalsContact NE1-CE 3.31Å; W153-K157 WeakPolarHBondContact O-CB 3.46Å; W153-K157 VanDerWaalsContact O-CG 3.23Å; W153-K157 WeakPolarHBondContact O-CG 3.44Å; W153-K157 PolarHBondContact O-N 2.99Å; Q155-K157 PolarHBondContact O-N 2.82Å; K157-L182 HydrophobicContact CB-CD1 3.91Å; K157-L182 HydrophobicContact CG-CD1 4.5Å; K157-R185 HydrophobicContact CB-CG 4.19Å; K157-R185 HydrophobicContact CD-CG 4.39Å; K157-R185 WeakPolarHBondContact O-CD 3.27Å; K157-R185 VanDerWaalsContact O-CG 3.31Å; K157-R185 WeakPolarHBondContact O-CG 3.23Å; K157-H186 WeakPolarHBondContact CD-NE2 3.29Å; K157-H186 WeakPolarHBondContact CE-NE2 3.23Å; K157-H186 PolarHBondContact NZ-NE2 3.47Å
158	T	90.7	Very high	89.6	Confident	3 Å²	3	57 Å²	57	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-93	-10.5	178.8	61.1	0	0	0	0	115.3	C154 Q155 P160 Y161 V164 I166 A181	C154-T158 WeakPolarHBondContact O-CB 3.23Å; C154-T158 VanDerWaalsContact O-CG2 3.3Å; C154-T158 WeakPolarHBondContact O-CG2 3.06Å; C154-T158 PolarHBondContact O-N 2.93Å; C154-T158 PolarHBondContact O-OG1 2.76Å; Q155-T158 PolarHBondContact O-N 3.19Å; Q155-T158 PolarHBondContact O-OG1 3.12Å; T158-P160 VanDerWaalsContact C-N 3.3Å; T158-P160 VanDerWaalsContact O-N 3.11Å; T158-Y161 WeakPolarHBondContact O-CB 3.15Å; T158-Y161 WeakPolarHBondContact O-CD2 3.28Å; T158-Y161 PolarHBondContact O-N 3.01Å; T158-V164 HydrophobicContact CG2-CG1 4.11Å; T158-I166 HydrophobicContact CG2-CG1 4.38Å; T158-A181 HydrophobicContact CG2-CB 4.03Å
159	A	88.5	Confident	90	Very high	77 Å²	77	51.8 Å²	51.8	64%	0.636	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-32.8	-179	0	0	0	0	0	116.1	Q155 Y161	Q155-A159 WeakPolarHBondContact O-CB 3.48Å; Q155-A159 PolarHBondContact O-N 2.96Å; A159-Y161 PolarHBondContact O-N 3.34Å
160	P	87.8	Confident	90.2	Very high	87 Å²	87	52.9 Å²	52.9	57%	0.565	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19	174.5	-23.7	36	0	0	0	114.8	T158 K162	T158-P160 VanDerWaalsContact C-N 3.3Å; T158-P160 VanDerWaalsContact O-N 3.11Å; P160-K162 PolarHBondContact O-N 3.28Å
161	Y	91.2	Very high	90.4	Very high	27 Å²	27	57.4 Å²	57.4	11%	0.106	29%	0.289	C	S	.	.			trans	-93.6	94	-172.6	-59.7	-94	0	0	0	110.6	T158 A159 N163 V164 A181 H184 R185 Y193	T158-Y161 WeakPolarHBondContact O-CB 3.15Å; T158-Y161 WeakPolarHBondContact O-CD2 3.28Å; T158-Y161 PolarHBondContact O-N 3.01Å; A159-Y161 PolarHBondContact O-N 3.34Å; Y161-N163 PolarHBondContact O-N 3.11Å; Y161-V164 PolarHBondContact O-N 3.49Å; Y161-A181 HydrophobicContact CD1-CB 3.98Å; Y161-A181 HydrophobicContact CD2-CB 3.76Å; Y161-A181 HydrophobicContact CE1-CB 4.18Å; Y161-A181 HydrophobicContact CE2-CB 3.97Å; Y161-A181 HydrophobicContact CG-CB 3.73Å; Y161-A181 PolarHBondContact OH-O 2.97Å; Y161-H184 AromaticContact CE1-ND1 3.43Å; Y161-H184 WeakPolarHBondContact CE1-ND1 3.43Å; Y161-H184 AromaticContact CZ-ND1 3.55Å; Y161-H184 VanDerWaalsContact OH-C 3.3Å; Y161-H184 PolarHBondContact OH-ND1 3.03Å; Y161-R185 HydrophobicContact CE2-CB 4.15Å; Y161-R185 WeakPolarHBondContact OH-CA 3.41Å; Y161-R185 PolarHBondContact OH-N 3.42Å; Y161-Y193 AromaticContact CD1-CD1 3.8Å; Y161-Y193 HydrophobicContact CD1-CD1 3.8Å; Y161-Y193 HydrophobicContact CD1-CD2 4.26Å; Y161-Y193 AromaticContact CD1-CE1 3.49Å; Y161-Y193 HydrophobicContact CD1-CE1 3.49Å; Y161-Y193 VanDerWaalsContact CD1-CE1 3.49Å; Y161-Y193 AromaticContact CD1-CE2 4Å; Y161-Y193 HydrophobicContact CD1-CE2 4Å; Y161-Y193 HydrophobicContact CD1-CG 4.18Å; Y161-Y193 AromaticContact CD1-CZ 3.6Å; Y161-Y193 HydrophobicContact CE1-CD1 4.02Å; Y161-Y193 HydrophobicContact CE1-CD2 4.08Å; Y161-Y193 HydrophobicContact CE1-CE1 4.15Å; Y161-Y193 HydrophobicContact CE1-CE2 4.22Å; Y161-Y193 AromaticContact CE1-CG 3.99Å; Y161-Y193 HydrophobicContact CE1-CG 3.99Å; Y161-Y193 HydrophobicContact CG-CE1 4.46Å
162	K	85.6	Confident	90.5	Very high	214 Å²	214	56.6 Å²	56.6	93%	0.93	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-22.1	-174.3	-59.8	-177.2	-178.2	-179	0	115.8	P160	P160-K162 PolarHBondContact O-N 3.28Å
163	N	89.4	Confident	90.9	Very high	63 Å²	63	55.1 Å²	55.1	34%	0.337	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.6	179.2	55.4	-29	0	0	0	114.2	Y161 L177 Y193	Y161-N163 PolarHBondContact O-N 3.11Å; N163-L177 HydrophobicContact CB-CD1 4.31Å; N163-Y193 PolarHBondContact ND2-OH 3.28Å; N163-Y193 WeakPolarHBondContact OD1-CE1 3.4Å; N163-Y193 PolarHBondContact OD1-OH 3.21Å
164	V	92.5	Very high	91.1	Very high	17 Å²	17	57.4 Å²	57.4	10%	0.103	29%	0.289	C	S	.	.			trans	-114.7	135.6	179.5	179.2	0	0	0	0	110	T158 Y161 I166 L177 A181 Y193	T158-V164 HydrophobicContact CG2-CG1 4.11Å; Y161-V164 PolarHBondContact O-N 3.49Å; V164-I166 HydrophobicContact CG1-CD1 3.67Å; V164-I166 HydrophobicContact CG1-CG1 3.84Å; V164-L177 HydrophobicContact CG2-CB 3.76Å; V164-A181 HydrophobicContact CG2-CB 3.98Å; V164-Y193 WeakPolarHBondContact CG2-OH 3.38Å
165	N	92.5	Very high	91.2	Very high	103 Å²	103	58.5 Å²	58.5	55%	0.551	30%	0.295	S	S	*	.			trans	-144.6	98.4	174.3	177.7	19.3	0	0	0	109	Q167 S172	N165-Q167 PolarHBondContact ND2-NE2 2.72Å; N165-Q167 WeakPolarHBondContact OD1-CG 3.37Å; N165-S172 PolarHBondContact O-OG 3.44Å
166	I	94.4	Very high	91.2	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.279	C	S	.	.			trans	-87.3	112.8	-177.7	-53.1	-55.1	0	0	0	109.8	L151 C154 Q155 T158 V164 W173	L151-I166 HydrophobicContact CD1-CG2 3.76Å; C154-I166 HydrophobicContact CB-CG2 4.05Å; Q155-I166 HydrophobicContact CG-CB 4.27Å; Q155-I166 WeakPolarHBondContact CG-O 3.44Å; Q155-I166 PolarHBondContact NE2-O 2.99Å; T158-I166 HydrophobicContact CG2-CG1 4.38Å; V164-I166 HydrophobicContact CG1-CD1 3.67Å; V164-I166 HydrophobicContact CG1-CG1 3.84Å; I166-W173 HydrophobicContact CD1-CD2 4.17Å; I166-W173 HydrophobicContact CD1-CE3 4.49Å; I166-W173 HydrophobicContact CD1-CH2 4.47Å; I166-W173 HydrophobicContact CD1-CZ2 4.14Å; I166-W173 HydrophobicContact CG1-CZ2 4.31Å; I166-W173 HydrophobicContact CG2-CZ2 3.79Å
167	Q	92.3	Very high	91.6	Very high	122 Å²	122	48.1 Å²	48.1	57%	0.57	25%	0.252	S	S	*	.			trans	-124.3	-15.9	-179.5	-63.9	-174.2	-24.1	0	0	113.1	N165 S172	N165-Q167 PolarHBondContact ND2-NE2 2.72Å; N165-Q167 WeakPolarHBondContact OD1-CG 3.37Å; Q167-S172 PolarHBondContact N-OG 2.98Å
168	N	92.2	Very high	91.9	Very high	37 Å²	37	46 Å²	46	20%	0.198	24%	0.243	C	C	.	.	S	Bend	trans	-157.7	163.8	-179.1	50.7	71.5	0	0	0	109.8	H170 I171 S172 W173	N168-H170 VanDerWaalsContact CG-CE1 3.42Å; N168-H170 PolarHBondContact O-N 3.1Å; N168-H170 PolarHBondContact OD1-N 3.48Å; N168-H170 VanDerWaalsContact OD1-N 3.17Å; N168-H170 PolarHBondContact OD1-ND1 3.01Å; N168-I171 PolarHBondContact OD1-N 2.91Å; N168-S172 PolarHBondContact N-OG 2.87Å; N168-S172 PolarHBondContact ND2-OG 2.9Å; N168-S172 WeakPolarHBondContact O-CB 3.43Å; N168-S172 PolarHBondContact OD1-N 3.4Å; N168-S172 PolarHBondContact OD1-OG 3.29Å; N168-W173 PolarHBondContact O-NE1 2.65Å; N168-W173 VanDerWaalsContact O-NE1 3.12Å
169	F	92.9	Very high	92.2	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	24%	0.243	C	C	.	.	S	Bend	trans	-87.9	31.4	173.7	-64.3	-74.7	0	0	0	113.1	K147 L150 L151 W173 E235 I238 M239 V242	K147-F169 HydrophobicContact CG-CE2 4.16Å; L150-F169 HydrophobicContact CB-CZ 4.11Å; L150-F169 HydrophobicContact CD2-CE1 4.24Å; L150-F169 HydrophobicContact CD2-CZ 4.01Å; L150-F169 HydrophobicContact CG-CE1 4.16Å; L150-F169 HydrophobicContact CG-CZ 3.81Å; L151-F169 HydrophobicContact CB-CE2 3.84Å; L151-F169 HydrophobicContact CB-CZ 3.83Å; L151-F169 HydrophobicContact CD1-CE2 4.14Å; L151-F169 HydrophobicContact CD1-CZ 4.13Å; F169-W173 AromaticContact CD1-NE1 3.86Å; F169-W173 HydrophobicContact CE1-CZ2 4.47Å; F169-E235 HydrophobicContact CB-CG 3.8Å; F169-E235 WeakPolarHBondContact O-CA 3.35Å; F169-I238 HydrophobicContact CB-CG2 4.18Å; F169-I238 HydrophobicContact CD1-CG2 4.35Å; F169-I238 VanDerWaalsContact O-CB 3.23Å; F169-I238 WeakPolarHBondContact O-CB 3.34Å; F169-I238 WeakPolarHBondContact O-CG2 3.43Å; F169-M239 HydrophobicContact CB-CG 3.58Å; F169-M239 HydrophobicContact CD1-CG 3.94Å; F169-M239 HydrophobicContact CD2-CG 3.4Å; F169-M239 VanDerWaalsContact CD2-CG 3.4Å; F169-M239 HydrophobicContact CD2-SD 3.85Å; F169-M239 HydrophobicContact CE1-CG 4.46Å; F169-M239 HydrophobicContact CE2-CG 3.99Å; F169-M239 HydrophobicContact CE2-SD 4.37Å; F169-M239 HydrophobicContact CG-CG 3.37Å; F169-M239 HydrophobicContact CG-SD 4.36Å; F169-M239 HydrophobicContact CZ-CG 4.47Å; F169-V242 HydrophobicContact CE1-CB 4.33Å; F169-V242 HydrophobicContact CE1-CG1 4.02Å
170	H	90.6	Very high	92.5	Very high	22 Å²	22	42.2 Å²	42.2	10%	0.102	21%	0.212	C	C	.	.	S	Bend	trans	-132.7	-77	175.5	47.6	82.4	0	0	0	113.2	N168 R232 P233 E235	N168-H170 VanDerWaalsContact CG-CE1 3.42Å; N168-H170 PolarHBondContact O-N 3.1Å; N168-H170 PolarHBondContact OD1-N 3.48Å; N168-H170 VanDerWaalsContact OD1-N 3.17Å; N168-H170 PolarHBondContact OD1-ND1 3.01Å; H170-R232 HydrophobicContact CB-CG 4Å; H170-R232 PolarHBondContact CD2-NH2 3.14Å; H170-R232 PolarHBondContact NE2-NE 3.31Å; H170-R232 PolarHBondContact NE2-NH2 3.34Å; H170-P233 WeakPolarHBondContact CB-O 3.45Å; H170-E235 IonicContact CD2-OE2 3.61Å
171	I	92	Very high	92.8	Very high	95 Å²	95	38.1 Å²	38.1	49%	0.487	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-77.8	-32.9	-171.1	-69.2	160	0	0	0	110.8	N168 W173 K174 R232	N168-I171 PolarHBondContact OD1-N 2.91Å; I171-W173 PolarHBondContact O-N 3.42Å; I171-W173 VanDerWaalsContact O-N 3.13Å; I171-K174 WeakPolarHBondContact O-CB 3.48Å; I171-K174 PolarHBondContact O-N 3.38Å; I171-K174 VanDerWaalsContact O-N 3.17Å; I171-R232 HydrophobicContact CD1-CG 4.4Å; I171-R232 HydrophobicContact CG1-CG 4.36Å
172	S	94.1	Very high	92.9	Very high	19 Å²	19	36.8 Å²	36.8	13%	0.133	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-62.6	-18.9	-179.9	-64.2	0	0	0	0	115	N165 Q167 N168	N165-S172 PolarHBondContact O-OG 3.44Å; Q167-S172 PolarHBondContact N-OG 2.98Å; N168-S172 PolarHBondContact N-OG 2.87Å; N168-S172 PolarHBondContact ND2-OG 2.9Å; N168-S172 WeakPolarHBondContact O-CB 3.43Å; N168-S172 PolarHBondContact OD1-N 3.4Å; N168-S172 PolarHBondContact OD1-OG 3.29Å
173	W	94.7	Very high	93.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-102.6	-6	-178.1	-62.2	87	0	0	0	112.8	C154 I166 N168 F169 I171 D175 G176 F179 L182 I238 V242	C154-W173 HydrophobicContact CB-CH2 4.13Å; C154-W173 HydrophobicContact CB-CZ2 3.91Å; I166-W173 HydrophobicContact CD1-CD2 4.17Å; I166-W173 HydrophobicContact CD1-CE3 4.49Å; I166-W173 HydrophobicContact CD1-CH2 4.47Å; I166-W173 HydrophobicContact CD1-CZ2 4.14Å; I166-W173 HydrophobicContact CG1-CZ2 4.31Å; I166-W173 HydrophobicContact CG2-CZ2 3.79Å; N168-W173 PolarHBondContact O-NE1 2.65Å; N168-W173 VanDerWaalsContact O-NE1 3.12Å; F169-W173 AromaticContact CD1-NE1 3.86Å; F169-W173 HydrophobicContact CE1-CZ2 4.47Å; I171-W173 PolarHBondContact O-N 3.42Å; I171-W173 VanDerWaalsContact O-N 3.13Å; W173-D175 VanDerWaalsContact C-N 3.26Å; W173-D175 PolarHBondContact O-N 2.89Å; W173-G176 PolarHBondContact O-N 3.33Å; W173-G176 VanDerWaalsContact O-N 3.1Å; W173-F179 HydrophobicContact CB-CE2 3.94Å; W173-F179 HydrophobicContact CB-CZ 4.29Å; W173-F179 HydrophobicContact CD2-CE1 4.46Å; W173-F179 HydrophobicContact CD2-CE2 4.43Å; W173-F179 HydrophobicContact CD2-CZ 4.24Å; W173-F179 AromaticContact CE3-CD1 3.7Å; W173-F179 HydrophobicContact CE3-CD1 3.7Å; W173-F179 AromaticContact CE3-CD2 3.87Å; W173-F179 HydrophobicContact CE3-CD2 3.87Å; W173-F179 AromaticContact CE3-CE1 3.65Å; W173-F179 HydrophobicContact CE3-CE1 3.65Å; W173-F179 AromaticContact CE3-CE2 3.83Å; W173-F179 HydrophobicContact CE3-CE2 3.83Å; W173-F179 AromaticContact CE3-CG 3.81Å; W173-F179 HydrophobicContact CE3-CG 3.81Å; W173-F179 AromaticContact CE3-CZ 3.72Å; W173-F179 HydrophobicContact CE3-CZ 3.72Å; W173-F179 AromaticContact CZ3-CD1 3.71Å; W173-F179 HydrophobicContact CZ3-CD1 3.71Å; W173-F179 AromaticContact CZ3-CE1 3.91Å; W173-F179 HydrophobicContact CZ3-CE1 3.91Å; W173-F179 HydrophobicContact CZ3-CG 4.07Å; W173-F179 HydrophobicContact CZ3-CZ 4.44Å; W173-L182 HydrophobicContact CH2-CD2 4.41Å; W173-I238 HydrophobicContact CB-CD1 3.95Å; W173-I238 HydrophobicContact CB-CG2 4.26Å; W173-I238 HydrophobicContact CD2-CG2 4.24Å; W173-I238 HydrophobicContact CG-CG2 3.83Å; W173-V242 HydrophobicContact CD2-CG2 4.22Å; W173-V242 HydrophobicContact CE3-CG2 4.14Å; W173-V242 HydrophobicContact CH2-CG1 3.91Å; W173-V242 HydrophobicContact CH2-CG2 3.7Å; W173-V242 HydrophobicContact CZ2-CG1 4.01Å; W173-V242 HydrophobicContact CZ2-CG2 3.77Å; W173-V242 HydrophobicContact CZ3-CG2 3.89Å
174	K	93	Very high	93.5	Very high	55 Å²	55	26 Å²	26	24%	0.239	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.3	-170.5	-176.6	169.2	179.2	169.6	0	113.9	I171 G176 I227 V228 T230 P233	I171-K174 WeakPolarHBondContact O-CB 3.48Å; I171-K174 PolarHBondContact O-N 3.38Å; I171-K174 VanDerWaalsContact O-N 3.17Å; K174-G176 VanDerWaalsContact C-N 3.33Å; K174-I227 WeakPolarHBondContact CE-O 3.45Å; K174-I227 HydrophobicContact CG-CG2 4.26Å; K174-V228 WeakPolarHBondContact CE-O 3.37Å; K174-V228 PolarHBondContact NZ-O 3.49Å; K174-T230 PolarHBondContact NZ-O 3.13Å; K174-P233 HydrophobicContact CB-CG 4.29Å; K174-P233 HydrophobicContact CD-CG 4.34Å; K174-P233 HydrophobicContact CG-CG 4.39Å
175	D	92.8	Very high	93.2	Very high	22 Å²	22	31.4 Å²	31.4	12%	0.118	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-1.3	177.8	66.6	16.3	0	0	0	114.4	W173 L177 K198 N204	W173-D175 VanDerWaalsContact C-N 3.26Å; W173-D175 PolarHBondContact O-N 2.89Å; D175-L177 PolarHBondContact O-N 3.49Å; D175-L177 WeakPolarHBondContact OD1-CB 3.18Å; D175-L177 PolarHBondContact OD1-N 2.9Å; D175-K198 HydrophobicContact CB-CG 4.12Å; D175-K198 WeakPolarHBondContact OD2-CE 3.38Å; D175-K198 IonicContact OD2-NZ 3.95Å; D175-K198 PolarHBondContact OD2-NZ 3.36Å; D175-N204 WeakPolarHBondContact O-CB 3.4Å; D175-N204 PolarHBondContact O-ND2 3.07Å
176	G	93.6	Very high	92.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	72.5	-16.7	-178.8	0	0	0	0	0	115.6	W173 K174 G178 F179 C180	W173-G176 PolarHBondContact O-N 3.33Å; W173-G176 VanDerWaalsContact O-N 3.1Å; K174-G176 VanDerWaalsContact C-N 3.33Å; G176-G178 VanDerWaalsContact C-N 3.26Å; G176-G178 PolarHBondContact O-N 3.44Å; G176-F179 PolarHBondContact O-N 2.67Å; G176-C180 PolarHBondContact O-N 2.87Å
177	L	95.3	Very high	92.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.3	-32.2	-176	-65.5	174.5	0	0	0	112	N163 V164 D175 C180 A181 L196 K198	N163-L177 HydrophobicContact CB-CD1 4.31Å; V164-L177 HydrophobicContact CG2-CB 3.76Å; D175-L177 PolarHBondContact O-N 3.49Å; D175-L177 WeakPolarHBondContact OD1-CB 3.18Å; D175-L177 PolarHBondContact OD1-N 2.9Å; L177-C180 PolarHBondContact O-N 2.89Å; L177-A181 WeakPolarHBondContact O-CB 3.35Å; L177-A181 PolarHBondContact O-N 3.21Å; L177-L196 HydrophobicContact CD2-CB 3.79Å; L177-K198 HydrophobicContact CD1-CB 3.79Å; L177-K198 HydrophobicContact CD1-CG 4.01Å
178	G	94.8	Very high	92.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.8	-46.8	174.1	0	0	0	0	0	113.5	G176 L182	G176-G178 VanDerWaalsContact C-N 3.26Å; G176-G178 PolarHBondContact O-N 3.44Å; G178-L182 WeakPolarHBondContact O-CB 3.44Å; G178-L182 PolarHBondContact O-N 3.01Å; G178-L182 VanDerWaalsContact O-N 3.07Å
179	F	96.1	Very high	91.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-45.8	177.7	-66	-71.8	0	0	0	111.5	W173 G176 A181 L182 I183 L205 A208 F209 L222 I238 Y241 V242 F245	W173-F179 HydrophobicContact CB-CE2 3.94Å; W173-F179 HydrophobicContact CB-CZ 4.29Å; W173-F179 HydrophobicContact CD2-CE1 4.46Å; W173-F179 HydrophobicContact CD2-CE2 4.43Å; W173-F179 HydrophobicContact CD2-CZ 4.24Å; W173-F179 AromaticContact CE3-CD1 3.7Å; W173-F179 HydrophobicContact CE3-CD1 3.7Å; W173-F179 AromaticContact CE3-CD2 3.87Å; W173-F179 HydrophobicContact CE3-CD2 3.87Å; W173-F179 AromaticContact CE3-CE1 3.65Å; W173-F179 HydrophobicContact CE3-CE1 3.65Å; W173-F179 AromaticContact CE3-CE2 3.83Å; W173-F179 HydrophobicContact CE3-CE2 3.83Å; W173-F179 AromaticContact CE3-CG 3.81Å; W173-F179 HydrophobicContact CE3-CG 3.81Å; W173-F179 AromaticContact CE3-CZ 3.72Å; W173-F179 HydrophobicContact CE3-CZ 3.72Å; W173-F179 AromaticContact CZ3-CD1 3.71Å; W173-F179 HydrophobicContact CZ3-CD1 3.71Å; W173-F179 AromaticContact CZ3-CE1 3.91Å; W173-F179 HydrophobicContact CZ3-CE1 3.91Å; W173-F179 HydrophobicContact CZ3-CG 4.07Å; W173-F179 HydrophobicContact CZ3-CZ 4.44Å; G176-F179 PolarHBondContact O-N 2.67Å; F179-A181 VanDerWaalsContact C-N 3.34Å; F179-A181 PolarHBondContact O-N 3.13Å; F179-L182 PolarHBondContact O-N 2.99Å; F179-I183 WeakPolarHBondContact O-CG1 3.41Å; F179-I183 PolarHBondContact O-N 3.06Å; F179-L205 HydrophobicContact CD2-CD2 3.77Å; F179-L205 HydrophobicContact CE2-CD2 3.86Å; F179-A208 HydrophobicContact CB-CB 3.55Å; F179-F209 AromaticContact CD2-CE1 3.98Å; F179-F209 HydrophobicContact CD2-CE1 3.98Å; F179-F209 HydrophobicContact CE2-CE1 4.06Å; F179-F209 HydrophobicContact CE2-CZ 4.32Å; F179-F209 HydrophobicContact CG-CE1 4.25Å; F179-F209 HydrophobicContact CZ-CE1 4.41Å; F179-L222 HydrophobicContact CZ-CD1 4.01Å; F179-I238 HydrophobicContact CZ-CG2 4.3Å; F179-Y241 HydrophobicContact CD1-CD1 4.24Å; F179-Y241 HydrophobicContact CD1-CE1 4.36Å; F179-Y241 AromaticContact CE1-CD1 3.6Å; F179-Y241 HydrophobicContact CE1-CD1 3.6Å; F179-Y241 HydrophobicContact CE1-CE1 4.15Å; F179-Y241 HydrophobicContact CZ-CD1 4.04Å; F179-V242 HydrophobicContact CD1-CG2 4.49Å; F179-V242 HydrophobicContact CE1-CG2 3.63Å; F179-V242 HydrophobicContact CZ-CG2 4.27Å; F179-F245 HydrophobicContact CD1-CD2 4.49Å; F179-F245 AromaticContact CD1-CE2 3.92Å; F179-F245 HydrophobicContact CD1-CE2 3.92Å; F179-F245 HydrophobicContact CE1-CE2 4.35Å
180	C	95.5	Very high	91.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-40.8	177.5	-66.4	0	0	0	0	112.7	G176 L177 I183 H184 I191 Y193 L196 N204	G176-C180 PolarHBondContact O-N 2.87Å; L177-C180 PolarHBondContact O-N 2.89Å; C180-I183 PolarHBondContact O-N 3.13Å; C180-H184 VanDerWaalsContact O-CB 3.26Å; C180-H184 WeakPolarHBondContact O-CB 3.45Å; C180-H184 PolarHBondContact O-N 2.84Å; C180-I191 HydrophobicContact CB-CD1 4.18Å; C180-I191 HydrophobicContact CB-CG2 4.36Å; C180-Y193 HydrophobicContact CB-CD2 4.12Å; C180-Y193 HydrophobicContact CB-CE2 4.01Å; C180-L196 HydrophobicContact CB-CD1 3.32Å; C180-L196 VanDerWaalsContact SG-CD1 3.55Å; C180-N204 PolarHBondContact SG-O 3.12Å
181	A	94.3	Very high	91.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-38.8	177.9	0	0	0	0	0	111.8	T158 Y161 V164 L177 F179 R185 Y193	T158-A181 HydrophobicContact CG2-CB 4.03Å; Y161-A181 HydrophobicContact CD1-CB 3.98Å; Y161-A181 HydrophobicContact CD2-CB 3.76Å; Y161-A181 HydrophobicContact CE1-CB 4.18Å; Y161-A181 HydrophobicContact CE2-CB 3.97Å; Y161-A181 HydrophobicContact CG-CB 3.73Å; Y161-A181 PolarHBondContact OH-O 2.97Å; V164-A181 HydrophobicContact CG2-CB 3.98Å; L177-A181 WeakPolarHBondContact O-CB 3.35Å; L177-A181 PolarHBondContact O-N 3.21Å; F179-A181 VanDerWaalsContact C-N 3.34Å; F179-A181 PolarHBondContact O-N 3.13Å; A181-R185 VanDerWaalsContact O-CB 3.27Å; A181-R185 WeakPolarHBondContact O-CB 3.34Å; A181-R185 PolarHBondContact O-N 3.29Å; A181-Y193 HydrophobicContact CB-CE2 3.71Å
182	L	92.8	Very high	91.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-42.4	178	-169.1	68.9	0	0	0	112	W153 K157 W173 G178 F179 H186 F245 F249	W153-L182 HydrophobicContact CE3-CD1 4.24Å; W153-L182 HydrophobicContact CH2-CD1 3.67Å; W153-L182 HydrophobicContact CH2-CD2 3.82Å; W153-L182 HydrophobicContact CH2-CG 4.02Å; W153-L182 HydrophobicContact CZ2-CD1 4.25Å; W153-L182 HydrophobicContact CZ3-CD1 3.67Å; W153-L182 HydrophobicContact CZ3-CD2 3.68Å; W153-L182 HydrophobicContact CZ3-CG 4.17Å; K157-L182 HydrophobicContact CB-CD1 3.91Å; K157-L182 HydrophobicContact CG-CD1 4.5Å; W173-L182 HydrophobicContact CH2-CD2 4.41Å; G178-L182 WeakPolarHBondContact O-CB 3.44Å; G178-L182 PolarHBondContact O-N 3.01Å; G178-L182 VanDerWaalsContact O-N 3.07Å; F179-L182 PolarHBondContact O-N 2.99Å; L182-H186 PolarHBondContact O-ND1 2.58Å; L182-F245 HydrophobicContact CD2-CB 3.78Å; L182-F245 HydrophobicContact CD2-CG 4.14Å; L182-F249 HydrophobicContact CG-CE2 4.46Å
183	I	93	Very high	91.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-54.1	174	-64.6	165.1	0	0	0	110	F179 C180 R185 H186 R187 L190 I191 A208 V211 L216 F245	F179-I183 WeakPolarHBondContact O-CG1 3.41Å; F179-I183 PolarHBondContact O-N 3.06Å; C180-I183 PolarHBondContact O-N 3.13Å; I183-R185 PolarHBondContact O-N 2.96Å; I183-R185 VanDerWaalsContact O-N 3.14Å; I183-H186 PolarHBondContact O-N 3.22Å; I183-R187 PolarHBondContact O-N 3.29Å; I183-L190 HydrophobicContact CG2-CB 4.37Å; I183-I191 HydrophobicContact CB-CD1 3.76Å; I183-I191 HydrophobicContact CD1-CD1 3.86Å; I183-I191 HydrophobicContact CG1-CD1 4.43Å; I183-I191 HydrophobicContact CG2-CD1 3.68Å; I183-I191 HydrophobicContact CG2-CG1 4Å; I183-A208 HydrophobicContact CD1-CB 3.95Å; I183-A208 WeakPolarHBondContact CD1-O 3.49Å; I183-V211 HydrophobicContact CD1-CG1 4.45Å; I183-V211 HydrophobicContact CG2-CG1 3.91Å; I183-L216 HydrophobicContact CG1-CD1 4.28Å; I183-L216 HydrophobicContact CG2-CD1 4.5Å; I183-F245 HydrophobicContact CD1-CE1 3.7Å; I183-F245 HydrophobicContact CD1-CZ 4.08Å; I183-F245 HydrophobicContact CG1-CD1 4.14Å; I183-F245 HydrophobicContact CG1-CE1 3.56Å; I183-F245 HydrophobicContact CG1-CZ 4.34Å
184	H	93.3	Very high	91.1	Very high	51 Å²	51	39.7 Å²	39.7	24%	0.236	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-27	-179.1	-178.8	-101.3	0	0	0	112.8	Y161 C180 H186 P188 I191 Y193	Y161-H184 AromaticContact CE1-ND1 3.43Å; Y161-H184 WeakPolarHBondContact CE1-ND1 3.43Å; Y161-H184 AromaticContact CZ-ND1 3.55Å; Y161-H184 VanDerWaalsContact OH-C 3.3Å; Y161-H184 PolarHBondContact OH-ND1 3.03Å; C180-H184 VanDerWaalsContact O-CB 3.26Å; C180-H184 WeakPolarHBondContact O-CB 3.45Å; C180-H184 PolarHBondContact O-N 2.84Å; H184-H186 VanDerWaalsContact C-N 3.35Å; H184-H186 PolarHBondContact O-N 3.3Å; H184-P188 VanDerWaalsContact CD2-CA 3.48Å; H184-P188 WeakPolarHBondContact CD2-CA 3.44Å; H184-P188 PolarHBondContact CD2-O 3.44Å; H184-P188 VanDerWaalsContact O-CA 3.26Å; H184-P188 WeakPolarHBondContact O-CA 3.41Å; H184-P188 WeakPolarHBondContact O-CB 3.19Å; H184-I191 HydrophobicContact CB-CB 4.44Å; H184-I191 PolarHBondContact CD2-O 3.19Å; H184-Y193 HydrophobicContact CB-CD2 4.38Å
185	R	88	Confident	91	Very high	129 Å²	129	44.6 Å²	44.6	49%	0.487	23%	0.225	S	C	.	.	H	α-helix	trans	-67.6	-32.9	176.6	-174.2	63.6	-177.7	105.6	-6.3	113.3	K157 Y161 A181 I183	K157-R185 HydrophobicContact CB-CG 4.19Å; K157-R185 HydrophobicContact CD-CG 4.39Å; K157-R185 WeakPolarHBondContact O-CD 3.27Å; K157-R185 VanDerWaalsContact O-CG 3.31Å; K157-R185 WeakPolarHBondContact O-CG 3.23Å; Y161-R185 HydrophobicContact CE2-CB 4.15Å; Y161-R185 WeakPolarHBondContact OH-CA 3.41Å; Y161-R185 PolarHBondContact OH-N 3.42Å; A181-R185 VanDerWaalsContact O-CB 3.27Å; A181-R185 WeakPolarHBondContact O-CB 3.34Å; A181-R185 PolarHBondContact O-N 3.29Å; I183-R185 PolarHBondContact O-N 2.96Å; I183-R185 VanDerWaalsContact O-N 3.14Å
186	H	85.4	Confident	90.9	Very high	45 Å²	45	44.8 Å²	44.8	21%	0.208	23%	0.226	C	C	.	.	H	α-helix	trans	-103.1	-28.8	-176.5	-61.9	95.8	0	0	0	112.8	W153 K157 L182 I183 H184 F249	W153-H186 AromaticContact CZ2-CE1 3.66Å; W153-H186 AromaticContact CZ2-NE2 3.95Å; K157-H186 WeakPolarHBondContact CD-NE2 3.29Å; K157-H186 WeakPolarHBondContact CE-NE2 3.23Å; K157-H186 PolarHBondContact NZ-NE2 3.47Å; L182-H186 PolarHBondContact O-ND1 2.58Å; I183-H186 PolarHBondContact O-N 3.22Å; H184-H186 VanDerWaalsContact C-N 3.35Å; H184-H186 PolarHBondContact O-N 3.3Å; H186-F249 HydrophobicContact CB-CD1 3.69Å; H186-F249 HydrophobicContact CB-CD2 4.19Å; H186-F249 HydrophobicContact CB-CE1 3.74Å; H186-F249 HydrophobicContact CB-CE2 4.23Å; H186-F249 HydrophobicContact CB-CG 3.94Å; H186-F249 HydrophobicContact CB-CZ 4Å; H186-F249 AromaticContact CE1-CD2 3.83Å; H186-F249 AromaticContact CG-CD1 3.98Å; H186-F249 AromaticContact CG-CD2 3.76Å; H186-F249 AromaticContact CG-CG 3.68Å; H186-F249 AromaticContact ND1-CD2 3.43Å; H186-F249 WeakPolarHBondContact ND1-CD2 3.41Å; H186-F249 AromaticContact ND1-CE2 3.72Å; H186-F249 AromaticContact ND1-CG 3.84Å
187	R	86.2	Confident	90.7	Very high	121 Å²	121	52.4 Å²	52.4	46%	0.457	26%	0.255	S	S	.	.			trans	-140.9	68.7	-176.3	-59.9	-67.3	-80	160.1	2.4	109.4	I183 E189 L190 L216 F249	I183-R187 PolarHBondContact O-N 3.29Å; R187-E189 WeakPolarHBondContact CA-OE2 3.37Å; R187-E189 IonicContact CZ-OE1 3.55Å; R187-E189 IonicContact NE-OE1 3.53Å; R187-E189 PolarHBondContact NE-OE1 3.02Å; R187-E189 IonicContact NH1-OE1 2.7Å; R187-E189 PolarHBondContact NH1-OE1 3.29Å; R187-E189 IonicContact NH2-OE1 2.85Å; R187-E189 PolarHBondContact NH2-OE1 3.43Å; R187-E189 VanDerWaalsContact NH2-OE1 3.15Å; R187-E189 PolarHBondContact O-N 3.03Å; R187-L190 HydrophobicContact CB-CB 4.46Å; R187-L190 HydrophobicContact CB-CD1 3.58Å; R187-L190 HydrophobicContact CB-CG 3.89Å; R187-L190 HydrophobicContact CG-CD1 4.12Å; R187-L190 PolarHBondContact O-N 3.03Å; R187-L190 VanDerWaalsContact O-N 3.11Å; R187-L216 HydrophobicContact CG-CD2 4.23Å; R187-F249 HydrophobicContact CG-CE1 4.03Å
188	P	85.5	Confident	90.4	Very high	71 Å²	71	58.5 Å²	58.5	46%	0.461	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-60.4	-26	-173.9	24.6	-34.5	0	0	0	113.4	H184 L190	H184-P188 VanDerWaalsContact CD2-CA 3.48Å; H184-P188 WeakPolarHBondContact CD2-CA 3.44Å; H184-P188 PolarHBondContact CD2-O 3.44Å; H184-P188 VanDerWaalsContact O-CA 3.26Å; H184-P188 WeakPolarHBondContact O-CA 3.41Å; H184-P188 WeakPolarHBondContact O-CB 3.19Å; P188-L190 PolarHBondContact O-N 3.28Å
189	E	84.9	Confident	90.2	Very high	109 Å²	109	64.3 Å²	64.3	51%	0.509	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-67.6	-15.4	177.5	75.9	-69.3	169.9	0	0	114.4	R187	R187-E189 WeakPolarHBondContact CA-OE2 3.37Å; R187-E189 IonicContact CZ-OE1 3.55Å; R187-E189 IonicContact NE-OE1 3.53Å; R187-E189 PolarHBondContact NE-OE1 3.02Å; R187-E189 IonicContact NH1-OE1 2.7Å; R187-E189 PolarHBondContact NH1-OE1 3.29Å; R187-E189 IonicContact NH2-OE1 2.85Å; R187-E189 PolarHBondContact NH2-OE1 3.43Å; R187-E189 VanDerWaalsContact NH2-OE1 3.15Å; R187-E189 PolarHBondContact O-N 3.03Å
190	L	89.7	Confident	90	Very high	36 Å²	36	67.5 Å²	67.5	19%	0.188	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-90.8	-19.9	-176.1	-61	-178	0	0	0	114.5	I183 R187 P188 V211 Y215 L216	I183-L190 HydrophobicContact CG2-CB 4.37Å; R187-L190 HydrophobicContact CB-CB 4.46Å; R187-L190 HydrophobicContact CB-CD1 3.58Å; R187-L190 HydrophobicContact CB-CG 3.89Å; R187-L190 HydrophobicContact CG-CD1 4.12Å; R187-L190 PolarHBondContact O-N 3.03Å; R187-L190 VanDerWaalsContact O-N 3.11Å; P188-L190 PolarHBondContact O-N 3.28Å; L190-V211 HydrophobicContact CB-CG1 3.72Å; L190-V211 HydrophobicContact CD1-CG1 4.07Å; L190-V211 HydrophobicContact CG-CG1 4.47Å; L190-Y215 HydrophobicContact CD1-CG 4.47Å; L190-Y215 HydrophobicContact CD2-CD1 4.05Å; L190-Y215 HydrophobicContact CD2-CD2 4.22Å; L190-Y215 HydrophobicContact CD2-CG 3.84Å; L190-L216 HydrophobicContact CD1-CD2 3.98Å
191	I	90.9	Very high	89.9	Confident	7 Å²	7	69 Å²	69	4%	0.036	34%	0.339	C	S	.	.			trans	-138.3	120.8	-176.7	-65.4	-171.6	0	0	0	110.6	C180 I183 H184 Y193 L196 V211	C180-I191 HydrophobicContact CB-CD1 4.18Å; C180-I191 HydrophobicContact CB-CG2 4.36Å; I183-I191 HydrophobicContact CB-CD1 3.76Å; I183-I191 HydrophobicContact CD1-CD1 3.86Å; I183-I191 HydrophobicContact CG1-CD1 4.43Å; I183-I191 HydrophobicContact CG2-CD1 3.68Å; I183-I191 HydrophobicContact CG2-CG1 4Å; H184-I191 HydrophobicContact CB-CB 4.44Å; H184-I191 PolarHBondContact CD2-O 3.19Å; I191-Y193 VanDerWaalsContact C-N 3.33Å; I191-Y193 PolarHBondContact O-N 3.43Å; I191-L196 HydrophobicContact CG2-CD1 3.9Å; I191-V211 HydrophobicContact CD1-CG1 4.39Å; I191-V211 HydrophobicContact CG1-CB 4.46Å; I191-V211 HydrophobicContact CG1-CG1 4.17Å; I191-V211 HydrophobicContact CG1-CG2 4.14Å
192	D	90.7	Very high	89.8	Confident	89 Å²	89	72.2 Å²	72.2	48%	0.476	36%	0.356	S	S	.	.			trans	-77.1	86.3	167.2	-174.1	-16	0	0	0	110.1	G194 K195	D192-G194 PolarHBondContact O-N 3.33Å; D192-G194 VanDerWaalsContact O-N 3.17Å; D192-G194 PolarHBondContact OD1-N 3.34Å; D192-K195 HydrophobicContact CB-CD 4.18Å; D192-K195 PolarHBondContact O-N 3.32Å; D192-K195 VanDerWaalsContact OD2-CD 3.3Å; D192-K195 WeakPolarHBondContact OD2-CD 3.41Å; D192-K195 WeakPolarHBondContact OD2-CE 3.26Å; D192-K195 IonicContact OD2-NZ 2.71Å; D192-K195 PolarHBondContact OD2-NZ 2.84Å
193	Y	89.9	Confident	89.9	Confident	25 Å²	25	75.5 Å²	75.5	10%	0.098	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-62.2	-24.5	-174.8	-165.4	-89.4	0	0	0	112.9	Y161 N163 V164 C180 A181 H184 I191 K195 L196	Y161-Y193 AromaticContact CD1-CD1 3.8Å; Y161-Y193 HydrophobicContact CD1-CD1 3.8Å; Y161-Y193 HydrophobicContact CD1-CD2 4.26Å; Y161-Y193 AromaticContact CD1-CE1 3.49Å; Y161-Y193 HydrophobicContact CD1-CE1 3.49Å; Y161-Y193 VanDerWaalsContact CD1-CE1 3.49Å; Y161-Y193 AromaticContact CD1-CE2 4Å; Y161-Y193 HydrophobicContact CD1-CE2 4Å; Y161-Y193 HydrophobicContact CD1-CG 4.18Å; Y161-Y193 AromaticContact CD1-CZ 3.6Å; Y161-Y193 HydrophobicContact CE1-CD1 4.02Å; Y161-Y193 HydrophobicContact CE1-CD2 4.08Å; Y161-Y193 HydrophobicContact CE1-CE1 4.15Å; Y161-Y193 HydrophobicContact CE1-CE2 4.22Å; Y161-Y193 AromaticContact CE1-CG 3.99Å; Y161-Y193 HydrophobicContact CE1-CG 3.99Å; Y161-Y193 HydrophobicContact CG-CE1 4.46Å; N163-Y193 PolarHBondContact ND2-OH 3.28Å; N163-Y193 WeakPolarHBondContact OD1-CE1 3.4Å; N163-Y193 PolarHBondContact OD1-OH 3.21Å; V164-Y193 WeakPolarHBondContact CG2-OH 3.38Å; C180-Y193 HydrophobicContact CB-CD2 4.12Å; C180-Y193 HydrophobicContact CB-CE2 4.01Å; A181-Y193 HydrophobicContact CB-CE2 3.71Å; H184-Y193 HydrophobicContact CB-CD2 4.38Å; I191-Y193 VanDerWaalsContact C-N 3.33Å; I191-Y193 PolarHBondContact O-N 3.43Å; Y193-K195 PolarHBondContact O-N 3.04Å; Y193-L196 HydrophobicContact CD2-CD1 3.77Å; Y193-L196 HydrophobicContact CE2-CD1 4.1Å; Y193-L196 HydrophobicContact CG-CD1 4.35Å; Y193-L196 PolarHBondContact O-N 2.84Å
194	G	87.9	Confident	90	Very high	74 Å²	74	75.6 Å²	75.6	76%	0.763	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-69.1	-17.9	179.7	0	0	0	0	0	114.4	D192	D192-G194 PolarHBondContact O-N 3.33Å; D192-G194 VanDerWaalsContact O-N 3.17Å; D192-G194 PolarHBondContact OD1-N 3.34Å
195	K	90.2	Very high	90.1	Very high	157 Å²	157	73.2 Å²	73.2	68%	0.683	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-87.4	-15.6	176.8	-71.4	175.5	178.1	136.2	0	113.9	D192 Y193	D192-K195 HydrophobicContact CB-CD 4.18Å; D192-K195 PolarHBondContact O-N 3.32Å; D192-K195 VanDerWaalsContact OD2-CD 3.3Å; D192-K195 WeakPolarHBondContact OD2-CD 3.41Å; D192-K195 WeakPolarHBondContact OD2-CE 3.26Å; D192-K195 IonicContact OD2-NZ 2.71Å; D192-K195 PolarHBondContact OD2-NZ 2.84Å; Y193-K195 PolarHBondContact O-N 3.04Å
196	L	91.6	Very high	90.5	Very high	26 Å²	26	70 Å²	70	14%	0.136	36%	0.358	C	S	.	.			trans	-78.8	143.8	-174	-56.2	177.8	0	0	0	111.5	L177 C180 I191 Y193	L177-L196 HydrophobicContact CD2-CB 3.79Å; C180-L196 HydrophobicContact CB-CD1 3.32Å; C180-L196 VanDerWaalsContact SG-CD1 3.55Å; I191-L196 HydrophobicContact CG2-CD1 3.9Å; Y193-L196 HydrophobicContact CD2-CD1 3.77Å; Y193-L196 HydrophobicContact CE2-CD1 4.1Å; Y193-L196 HydrophobicContact CG-CD1 4.35Å; Y193-L196 PolarHBondContact O-N 2.84Å
197	R	88.8	Confident	90.9	Very high	161 Å²	161	70 Å²	70	61%	0.608	36%	0.361	S	S	*	.			trans	-136.2	141.6	-176.8	-44.2	176.8	109.8	-144.1	12.1	111.1	D199 D200 N204	R197-D199 WeakPolarHBondContact CB-OD1 3.13Å; R197-D199 IonicContact NH1-OD1 3.27Å; R197-D199 IonicContact NH1-OD2 3.56Å; R197-D199 PolarHBondContact NH1-OD2 3.28Å; R197-D199 PolarHBondContact O-N 2.75Å; R197-D200 PolarHBondContact O-N 2.75Å; R197-N204 PolarHBondContact O-ND2 3.07Å
198	K	88.9	Confident	91.3	Very high	128 Å²	128	64.3 Å²	64.3	56%	0.557	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-22.2	-174.7	-167.5	175.6	178.4	93.5	0	113.6	D175 L177 D200	D175-K198 HydrophobicContact CB-CG 4.12Å; D175-K198 WeakPolarHBondContact OD2-CE 3.38Å; D175-K198 IonicContact OD2-NZ 3.95Å; D175-K198 PolarHBondContact OD2-NZ 3.36Å; L177-K198 HydrophobicContact CD1-CB 3.79Å; L177-K198 HydrophobicContact CD1-CG 4.01Å; K198-D200 VanDerWaalsContact C-N 3.33Å
199	D	90.7	Very high	91.8	Very high	121 Å²	121	61 Å²	61	65%	0.647	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.6	177.1	54.7	-36.5	0	0	0	114	R197 P201	R197-D199 WeakPolarHBondContact CB-OD1 3.13Å; R197-D199 IonicContact NH1-OD1 3.27Å; R197-D199 IonicContact NH1-OD2 3.56Å; R197-D199 PolarHBondContact NH1-OD2 3.28Å; R197-D199 PolarHBondContact O-N 2.75Å; D199-P201 VanDerWaalsContact C-CD 3.44Å; D199-P201 VanDerWaalsContact O-CD 3.3Å; D199-P201 WeakPolarHBondContact O-CD 3.45Å
200	D	93	Very high	92.2	Very high	67 Å²	67	59.6 Å²	59.6	36%	0.358	31%	0.314	S	S	.	.			trans	-119.4	70.3	176	-169.7	-1	0	0	0	112.3	R197 K198 L202 T203 N204	R197-D200 PolarHBondContact O-N 2.75Å; K198-D200 VanDerWaalsContact C-N 3.33Å; D200-L202 VanDerWaalsContact C-N 3.29Å; D200-L202 PolarHBondContact O-N 3.01Å; D200-T203 VanDerWaalsContact CG-CB 3.42Å; D200-T203 WeakPolarHBondContact OD1-CB 3.12Å; D200-T203 PolarHBondContact OD1-N 3.25Å; D200-T203 PolarHBondContact OD1-OG1 3.06Å; D200-T203 WeakPolarHBondContact OD2-CB 3.37Å; D200-T203 PolarHBondContact OD2-OG1 3.25Å; D200-N204 PolarHBondContact O-N 3.33Å; D200-N204 PolarHBondContact O-ND2 3.08Å; D200-N204 VanDerWaalsContact O-ND2 3.17Å; D200-N204 PolarHBondContact O-OD1 2.93Å
201	P	92.4	Very high	92.4	Very high	32 Å²	32	58.6 Å²	58.6	21%	0.208	31%	0.309	C	S	.	.	H	α-helix	trans	-68.1	-29.2	-175.3	31.3	-38.6	0	0	0	112.7	D199 L205 V228	D199-P201 VanDerWaalsContact C-CD 3.44Å; D199-P201 VanDerWaalsContact O-CD 3.3Å; D199-P201 WeakPolarHBondContact O-CD 3.45Å; P201-L205 WeakPolarHBondContact O-CB 3.44Å; P201-L205 WeakPolarHBondContact O-CD1 3.47Å; P201-L205 VanDerWaalsContact O-CG 3.22Å; P201-L205 WeakPolarHBondContact O-CG 3.21Å; P201-L205 PolarHBondContact O-N 3.02Å; P201-V228 HydrophobicContact CB-CG2 3.9Å; P201-V228 HydrophobicContact CG-CG1 4.14Å; P201-V228 HydrophobicContact CG-CG2 3.89Å
202	L	93.2	Very high	92.5	Very high	67 Å²	67	58.2 Å²	58.2	35%	0.351	31%	0.308	S	S	.	.	H	α-helix	trans	-68.7	-44.4	-178.1	-167.7	75.2	0	0	0	110.8	D200 N206 A224 E225 V228	D200-L202 VanDerWaalsContact C-N 3.29Å; D200-L202 PolarHBondContact O-N 3.01Å; L202-N206 WeakPolarHBondContact O-CB 3.32Å; L202-N206 PolarHBondContact O-N 3.5Å; L202-N206 VanDerWaalsContact O-N 3.16Å; L202-N206 PolarHBondContact O-ND2 3.07Å; L202-A224 HydrophobicContact CD1-CB 3.78Å; L202-E225 HydrophobicContact CD1-CG 3.93Å; L202-V228 HydrophobicContact CD1-CG2 4.49Å
203	T	94	Very high	92.6	Very high	70 Å²	70	58 Å²	58	43%	0.429	30%	0.304	S	S	.	.	H	α-helix	trans	-67.3	-41.8	175.3	-58.9	0	0	0	0	111.7	D200 T207	D200-T203 VanDerWaalsContact CG-CB 3.42Å; D200-T203 WeakPolarHBondContact OD1-CB 3.12Å; D200-T203 PolarHBondContact OD1-N 3.25Å; D200-T203 PolarHBondContact OD1-OG1 3.06Å; D200-T203 WeakPolarHBondContact OD2-CB 3.37Å; D200-T203 PolarHBondContact OD2-OG1 3.25Å; T203-T207 VanDerWaalsContact O-CB 3.29Å; T203-T207 WeakPolarHBondContact O-CB 3.42Å; T203-T207 PolarHBondContact O-N 3.36Å; T203-T207 PolarHBondContact O-OG1 3.37Å
204	N	95.4	Very high	92.6	Very high	2 Å²	2	64 Å²	64	1%	0.011	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-49.7	178.7	-63.8	-23.4	0	0	0	111.7	D175 C180 R197 D200 T207 A208	D175-N204 WeakPolarHBondContact O-CB 3.4Å; D175-N204 PolarHBondContact O-ND2 3.07Å; C180-N204 PolarHBondContact SG-O 3.12Å; R197-N204 PolarHBondContact O-ND2 3.07Å; D200-N204 PolarHBondContact O-N 3.33Å; D200-N204 PolarHBondContact O-ND2 3.08Å; D200-N204 VanDerWaalsContact O-ND2 3.17Å; D200-N204 PolarHBondContact O-OD1 2.93Å; N204-T207 PolarHBondContact O-N 3.36Å; N204-A208 PolarHBondContact O-N 3.25Å
205	L	95.3	Very high	92.7	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-51.5	179.4	-72.7	164.7	0	0	0	111.4	F179 P201 T207 A208 F209 A224 I227 V228	F179-L205 HydrophobicContact CD2-CD2 3.77Å; F179-L205 HydrophobicContact CE2-CD2 3.86Å; P201-L205 WeakPolarHBondContact O-CB 3.44Å; P201-L205 WeakPolarHBondContact O-CD1 3.47Å; P201-L205 VanDerWaalsContact O-CG 3.22Å; P201-L205 WeakPolarHBondContact O-CG 3.21Å; P201-L205 PolarHBondContact O-N 3.02Å; L205-T207 VanDerWaalsContact C-N 3.32Å; L205-T207 PolarHBondContact O-N 2.76Å; L205-A208 PolarHBondContact O-N 3.48Å; L205-F209 HydrophobicContact CB-CE2 4.03Å; L205-F209 HydrophobicContact CB-CZ 4.1Å; L205-F209 HydrophobicContact CD2-CE1 4.17Å; L205-F209 HydrophobicContact CD2-CE2 4.35Å; L205-F209 HydrophobicContact CD2-CZ 3.65Å; L205-F209 HydrophobicContact CG-CZ 4.46Å; L205-F209 WeakPolarHBondContact O-CB 3.31Å; L205-F209 VanDerWaalsContact O-CD1 3.25Å; L205-F209 WeakPolarHBondContact O-CD1 3.44Å; L205-F209 WeakPolarHBondContact O-CD2 3.41Å; L205-F209 WeakPolarHBondContact O-CG 3.42Å; L205-F209 PolarHBondContact O-N 3.1Å; L205-A224 HydrophobicContact CB-CB 3.59Å; L205-A224 HydrophobicContact CD1-CB 4.16Å; L205-I227 HydrophobicContact CD1-CB 4.01Å; L205-I227 HydrophobicContact CD1-CD1 4.43Å; L205-I227 HydrophobicContact CD1-CG2 3.72Å; L205-I227 HydrophobicContact CD2-CD1 4.07Å; L205-I227 HydrophobicContact CD2-CG2 4.45Å; L205-V228 HydrophobicContact CD1-CG2 3.74Å
206	N	95.1	Very high	92.6	Very high	62 Å²	62	60.5 Å²	60.5	33%	0.332	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-40.6	178.7	-74.4	-44.9	0	0	0	112.1	L202 A208 F209 D210 A224	L202-N206 WeakPolarHBondContact O-CB 3.32Å; L202-N206 PolarHBondContact O-N 3.5Å; L202-N206 VanDerWaalsContact O-N 3.16Å; L202-N206 PolarHBondContact O-ND2 3.07Å; N206-A208 PolarHBondContact O-N 2.64Å; N206-F209 PolarHBondContact O-N 2.98Å; N206-D210 VanDerWaalsContact O-CB 3.32Å; N206-D210 WeakPolarHBondContact O-CB 3.47Å; N206-D210 PolarHBondContact O-N 2.7Å; N206-A224 WeakPolarHBondContact OD1-CB 3.4Å
207	T	94	Very high	92.3	Very high	46 Å²	46	64 Å²	64	28%	0.282	31%	0.312	S	S	.	.	H	α-helix	trans	-58.9	-46.1	175.9	-59.2	0	0	0	0	111.4	T203 N204 L205 V211	T203-T207 VanDerWaalsContact O-CB 3.29Å; T203-T207 WeakPolarHBondContact O-CB 3.42Å; T203-T207 PolarHBondContact O-N 3.36Å; T203-T207 PolarHBondContact O-OG1 3.37Å; N204-T207 PolarHBondContact O-N 3.36Å; L205-T207 VanDerWaalsContact C-N 3.32Å; L205-T207 PolarHBondContact O-N 2.76Å; T207-V211 WeakPolarHBondContact O-CB 3.41Å; T207-V211 VanDerWaalsContact O-CG2 3.23Å; T207-V211 WeakPolarHBondContact O-CG2 3.41Å; T207-V211 PolarHBondContact O-N 2.85Å; T207-V211 VanDerWaalsContact O-N 3.12Å
208	A	95.2	Very high	92.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-43.6	176.1	0	0	0	0	0	112.2	F179 I183 N204 L205 N206 V211 A212	F179-A208 HydrophobicContact CB-CB 3.55Å; I183-A208 HydrophobicContact CD1-CB 3.95Å; I183-A208 WeakPolarHBondContact CD1-O 3.49Å; N204-A208 PolarHBondContact O-N 3.25Å; L205-A208 PolarHBondContact O-N 3.48Å; N206-A208 PolarHBondContact O-N 2.64Å; A208-V211 PolarHBondContact O-N 3.05Å; A208-A212 VanDerWaalsContact O-CB 3.23Å; A208-A212 WeakPolarHBondContact O-CB 3.3Å; A208-A212 PolarHBondContact O-N 3.09Å
209	F	95.3	Very high	92.3	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-71.6	-39.6	-175.2	-58.7	-11.1	0	0	0	112.2	F179 L205 N206 E213 K220 L222 A224 I227 Y241	F179-F209 AromaticContact CD2-CE1 3.98Å; F179-F209 HydrophobicContact CD2-CE1 3.98Å; F179-F209 HydrophobicContact CE2-CE1 4.06Å; F179-F209 HydrophobicContact CE2-CZ 4.32Å; F179-F209 HydrophobicContact CG-CE1 4.25Å; F179-F209 HydrophobicContact CZ-CE1 4.41Å; L205-F209 HydrophobicContact CB-CE2 4.03Å; L205-F209 HydrophobicContact CB-CZ 4.1Å; L205-F209 HydrophobicContact CD2-CE1 4.17Å; L205-F209 HydrophobicContact CD2-CE2 4.35Å; L205-F209 HydrophobicContact CD2-CZ 3.65Å; L205-F209 HydrophobicContact CG-CZ 4.46Å; L205-F209 WeakPolarHBondContact O-CB 3.31Å; L205-F209 VanDerWaalsContact O-CD1 3.25Å; L205-F209 WeakPolarHBondContact O-CD1 3.44Å; L205-F209 WeakPolarHBondContact O-CD2 3.41Å; L205-F209 WeakPolarHBondContact O-CG 3.42Å; L205-F209 PolarHBondContact O-N 3.1Å; N206-F209 PolarHBondContact O-N 2.98Å; F209-E213 WeakPolarHBondContact O-CB 3.47Å; F209-E213 PolarHBondContact O-N 3.41Å; F209-K220 HydrophobicContact CB-CD 4.33Å; F209-K220 HydrophobicContact CB-CG 4.16Å; F209-L222 VanDerWaalsContact CD2-O 3.27Å; F209-L222 WeakPolarHBondContact CD2-O 3.46Å; F209-L222 HydrophobicContact CE2-CB 3.81Å; F209-L222 VanDerWaalsContact CE2-O 3.25Å; F209-L222 WeakPolarHBondContact CE2-O 3.43Å; F209-L222 HydrophobicContact CZ-CB 3.76Å; F209-L222 HydrophobicContact CZ-CD1 4.25Å; F209-A224 HydrophobicContact CE2-CB 4.42Å; F209-I227 HydrophobicContact CE2-CD1 4.25Å; F209-I227 HydrophobicContact CZ-CD1 3.84Å; F209-Y241 AromaticContact CD1-CE1 3.44Å; F209-Y241 HydrophobicContact CD1-CE1 3.44Å; F209-Y241 VanDerWaalsContact CD1-CE1 3.44Å; F209-Y241 AromaticContact CD1-CZ 3.91Å; F209-Y241 HydrophobicContact CE1-CD1 4.09Å; F209-Y241 AromaticContact CE1-CE1 3.42Å; F209-Y241 HydrophobicContact CE1-CE1 3.42Å; F209-Y241 VanDerWaalsContact CE1-CE1 3.42Å; F209-Y241 HydrophobicContact CG-CE1 4.41Å; F209-Y241 HydrophobicContact CZ-CE1 4.35Å
210	D	94.2	Very high	92.3	Very high	81 Å²	81	49.6 Å²	49.6	43%	0.433	25%	0.25	S	S	.	.	H	α-helix	trans	-62.8	-43.8	172.6	-78.6	-33.3	0	0	0	111.8	N206 K214 K220	N206-D210 VanDerWaalsContact O-CB 3.32Å; N206-D210 WeakPolarHBondContact O-CB 3.47Å; N206-D210 PolarHBondContact O-N 2.7Å; D210-K214 WeakPolarHBondContact O-CB 3.24Å; D210-K214 PolarHBondContact O-N 3.4Å; D210-K220 WeakPolarHBondContact OD1-CE 2.65Å; D210-K220 IonicContact OD1-NZ 3.21Å; D210-K220 PolarHBondContact OD1-NZ 2.68Å
211	V	93.9	Very high	92.2	Very high	14 Å²	14	46.6 Å²	46.6	9%	0.085	23%	0.234	C	C	.	.	H	α-helix	trans	-67	-42.2	178.3	167.6	0	0	0	0	111.2	I183 L190 I191 T207 A208 Y215	I183-V211 HydrophobicContact CD1-CG1 4.45Å; I183-V211 HydrophobicContact CG2-CG1 3.91Å; L190-V211 HydrophobicContact CB-CG1 3.72Å; L190-V211 HydrophobicContact CD1-CG1 4.07Å; L190-V211 HydrophobicContact CG-CG1 4.47Å; I191-V211 HydrophobicContact CD1-CG1 4.39Å; I191-V211 HydrophobicContact CG1-CB 4.46Å; I191-V211 HydrophobicContact CG1-CG1 4.17Å; I191-V211 HydrophobicContact CG1-CG2 4.14Å; T207-V211 WeakPolarHBondContact O-CB 3.41Å; T207-V211 VanDerWaalsContact O-CG2 3.23Å; T207-V211 WeakPolarHBondContact O-CG2 3.41Å; T207-V211 PolarHBondContact O-N 2.85Å; T207-V211 VanDerWaalsContact O-N 3.12Å; A208-V211 PolarHBondContact O-N 3.05Å; V211-Y215 HydrophobicContact CG1-CD2 4.24Å; V211-Y215 WeakPolarHBondContact O-CB 3.35Å; V211-Y215 PolarHBondContact O-N 2.84Å
212	A	93.4	Very high	92.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-44.3	179	0	0	0	0	0	112.4	A208 L216 D217 I218 F245	A208-A212 VanDerWaalsContact O-CB 3.23Å; A208-A212 WeakPolarHBondContact O-CB 3.3Å; A208-A212 PolarHBondContact O-N 3.09Å; A212-L216 CarbonylContact O-C 3.07Å; A212-L216 WeakPolarHBondContact O-CA 3.06Å; A212-L216 WeakPolarHBondContact O-CB 3.27Å; A212-L216 PolarHBondContact O-N 3.32Å; A212-L216 VanDerWaalsContact O-N 3.07Å; A212-D217 PolarHBondContact O-N 3.43Å; A212-I218 CarbonylContact C-O 3.46Å; A212-I218 HydrophobicContact CB-CB 4.13Å; A212-I218 PolarHBondContact O-N 2.69Å; A212-I218 VanDerWaalsContact O-N 3.12Å; A212-F245 HydrophobicContact CB-CE1 3.62Å; A212-F245 HydrophobicContact CB-CZ 3.54Å
213	E	92.3	Very high	92	Very high	85 Å²	85	45.8 Å²	45.8	40%	0.397	23%	0.229	S	C	.	.	H	α-helix	trans	-67.6	-47	177.5	-179.1	171.6	-110	0	0	111.9	F209 I218 K220	F209-E213 WeakPolarHBondContact O-CB 3.47Å; F209-E213 PolarHBondContact O-N 3.41Å; E213-I218 WeakPolarHBondContact CA-O 3.41Å; E213-I218 PolarHBondContact N-O 2.89Å; E213-K220 HydrophobicContact CB-CG 4.16Å; E213-K220 WeakPolarHBondContact OE2-CE 3.27Å; E213-K220 IonicContact OE2-NZ 2.65Å; E213-K220 PolarHBondContact OE2-NZ 3.01Å
214	K	90.5	Very high	91.8	Very high	149 Å²	149	42.6 Å²	42.6	65%	0.648	21%	0.209	S	C	*	.	H	α-helix	trans	-77.2	-31.5	-172	-173.1	177.4	174.9	-160.2	0	114.2	D210	D210-K214 WeakPolarHBondContact O-CB 3.24Å; D210-K214 PolarHBondContact O-N 3.4Å
215	Y	89.9	Confident	91.5	Very high	126 Å²	126	49.6 Å²	49.6	49%	0.494	24%	0.242	S	C	.	.	H	α-helix	trans	-121.5	-15	-170.6	-60.8	-76.9	0	0	0	114.7	L190 V211	L190-Y215 HydrophobicContact CD1-CG 4.47Å; L190-Y215 HydrophobicContact CD2-CD1 4.05Å; L190-Y215 HydrophobicContact CD2-CD2 4.22Å; L190-Y215 HydrophobicContact CD2-CG 3.84Å; V211-Y215 HydrophobicContact CG1-CD2 4.24Å; V211-Y215 WeakPolarHBondContact O-CB 3.35Å; V211-Y215 PolarHBondContact O-N 2.84Å
216	L	86.9	Confident	91.1	Very high	32 Å²	32	50.9 Å²	50.9	17%	0.168	25%	0.249	C	C	.	.	H	α-helix	trans	-119	-0.2	-179.1	-50	176.8	0	0	0	113.5	I183 R187 L190 A212 I218 F245 F249	I183-L216 HydrophobicContact CG1-CD1 4.28Å; I183-L216 HydrophobicContact CG2-CD1 4.5Å; R187-L216 HydrophobicContact CG-CD2 4.23Å; L190-L216 HydrophobicContact CD1-CD2 3.98Å; A212-L216 CarbonylContact O-C 3.07Å; A212-L216 WeakPolarHBondContact O-CA 3.06Å; A212-L216 WeakPolarHBondContact O-CB 3.27Å; A212-L216 PolarHBondContact O-N 3.32Å; A212-L216 VanDerWaalsContact O-N 3.07Å; L216-I218 HydrophobicContact CB-CD1 3.91Å; L216-I218 HydrophobicContact CB-CG1 4.01Å; L216-I218 HydrophobicContact CD1-CD1 4.19Å; L216-I218 PolarHBondContact O-N 3.04Å; L216-I218 VanDerWaalsContact O-N 3.16Å; L216-F245 HydrophobicContact CD1-CD1 4.25Å; L216-F245 HydrophobicContact CD1-CE1 4.05Å; L216-F249 HydrophobicContact CD1-CE1 3.92Å; L216-F249 HydrophobicContact CD1-CZ 3.57Å; L216-F249 HydrophobicContact CD2-CE1 4Å; L216-F249 HydrophobicContact CD2-CZ 4.45Å
217	D	85.9	Confident	90.8	Very high	101 Å²	101	47.9 Å²	47.9	54%	0.54	23%	0.233	S	C	.	.			trans	56	22.2	-174.4	-167.8	38.1	0	0	0	114.8	R46 A212 P219	R46-D217 IonicContact CZ-OD1 2.7Å; R46-D217 VanDerWaalsContact CZ-OD1 3.31Å; R46-D217 IonicContact CZ-OD2 3.78Å; R46-D217 IonicContact NH1-OD1 2.73Å; R46-D217 PolarHBondContact NH1-OD1 2.69Å; R46-D217 IonicContact NH1-OD2 3.4Å; R46-D217 PolarHBondContact NH2-O 3.12Å; R46-D217 IonicContact NH2-OD1 2.63Å; R46-D217 PolarHBondContact NH2-OD1 2.86Å; R46-D217 VanDerWaalsContact NH2-OD1 3.14Å; R46-D217 IonicContact NH2-OD2 3.95Å; R46-D217 PolarHBondContact NH2-OD2 2.84Å; A212-D217 PolarHBondContact O-N 3.43Å; D217-P219 WeakPolarHBondContact O-CD 3.32Å
218	I	89.5	Confident	90.6	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.036	23%	0.232	C	C	.	.			trans	-91.2	105.8	174.8	-57	170.4	0	0	0	107.8	A212 E213 L216 M221 Y241 F245 A248	A212-I218 CarbonylContact C-O 3.46Å; A212-I218 HydrophobicContact CB-CB 4.13Å; A212-I218 PolarHBondContact O-N 2.69Å; A212-I218 VanDerWaalsContact O-N 3.12Å; E213-I218 WeakPolarHBondContact CA-O 3.41Å; E213-I218 PolarHBondContact N-O 2.89Å; L216-I218 HydrophobicContact CB-CD1 3.91Å; L216-I218 HydrophobicContact CB-CG1 4.01Å; L216-I218 HydrophobicContact CD1-CD1 4.19Å; L216-I218 PolarHBondContact O-N 3.04Å; L216-I218 VanDerWaalsContact O-N 3.16Å; I218-M221 HydrophobicContact CG2-CE 4.2Å; I218-Y241 HydrophobicContact CG2-CD2 4.37Å; I218-Y241 HydrophobicContact CG2-CE2 3.7Å; I218-F245 HydrophobicContact CD1-CB 4.39Å; I218-F245 HydrophobicContact CD1-CD1 3.4Å; I218-F245 VanDerWaalsContact CD1-CD1 3.4Å; I218-F245 HydrophobicContact CD1-CD2 4.48Å; I218-F245 HydrophobicContact CD1-CE1 3.69Å; I218-F245 HydrophobicContact CD1-CG 3.85Å; I218-F245 HydrophobicContact CD1-CZ 4.36Å; I218-A248 HydrophobicContact CD1-CB 3.78Å; I218-A248 HydrophobicContact CG1-CB 4.15Å
219	P	88.4	Confident	90	Very high	24 Å²	24	51.1 Å²	51.1	16%	0.156	27%	0.266	C	S	.	.			trans	-67	155	-174.2	28.2	-34.2	0	0	0	111.6	D217 M221 Y241	D217-P219 WeakPolarHBondContact O-CD 3.32Å; P219-M221 HydrophobicContact CG-CE 4.1Å; P219-M221 WeakPolarHBondContact O-CG 3.27Å; P219-M221 PolarHBondContact O-N 3.19Å; P219-Y241 WeakPolarHBondContact O-CE2 3.47Å
220	K	91	Very high	89.5	Confident	75 Å²	75	52 Å²	52	33%	0.326	27%	0.272	S	S	.	.			trans	-66.8	105.1	176.4	-63.5	-173.3	176.3	117	0	111.3	F209 D210 E213	F209-K220 HydrophobicContact CB-CD 4.33Å; F209-K220 HydrophobicContact CB-CG 4.16Å; D210-K220 WeakPolarHBondContact OD1-CE 2.65Å; D210-K220 IonicContact OD1-NZ 3.21Å; D210-K220 PolarHBondContact OD1-NZ 2.68Å; E213-K220 HydrophobicContact CB-CG 4.16Å; E213-K220 WeakPolarHBondContact OE2-CE 3.27Å; E213-K220 IonicContact OE2-NZ 2.65Å; E213-K220 PolarHBondContact OE2-NZ 3.01Å
221	M	90.2	Very high	89	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.025	29%	0.288	C	S	.	.			trans	-100.4	-10.1	177.1	-44.2	-175.5	-148.9	0	0	113.2	T36 A39 W40 I218 P219 T240 Y241 S244	T36-M221 WeakPolarHBondContact CA-O 3.46Å; T36-M221 WeakPolarHBondContact CB-O 3.15Å; T36-M221 HydrophobicContact CG2-CB 3.67Å; T36-M221 PolarHBondContact OG1-O 3.49Å; A39-M221 HydrophobicContact CB-CB 3.92Å; A39-M221 HydrophobicContact CB-CG 3.86Å; W40-M221 HydrophobicContact CB-SD 3.84Å; W40-M221 HydrophobicContact CG-SD 4.41Å; I218-M221 HydrophobicContact CG2-CE 4.2Å; P219-M221 HydrophobicContact CG-CE 4.1Å; P219-M221 WeakPolarHBondContact O-CG 3.27Å; P219-M221 PolarHBondContact O-N 3.19Å; M221-T240 HydrophobicContact SD-CG2 4.22Å; M221-Y241 HydrophobicContact CB-CD2 3.73Å; M221-Y241 HydrophobicContact CB-CE2 4.24Å; M221-Y241 HydrophobicContact CE-CD2 3.99Å; M221-Y241 HydrophobicContact CE-CE2 4.36Å; M221-Y241 HydrophobicContact CG-CD2 3.69Å; M221-Y241 HydrophobicContact CG-CE2 4.03Å; M221-Y241 HydrophobicContact SD-CD2 3.98Å; M221-S244 WeakPolarHBondContact CE-OG 3.39Å
222	L	91.3	Very high	88.7	Confident	5 Å²	5	57 Å²	57	3%	0.026	30%	0.303	C	S	.	.	S	Bend	trans	-127.3	138.8	-177.2	-65.4	175.6	0	0	0	109.9	T36 F179 F209 I227 A237 I238 Y241	T36-L222 HydrophobicContact CG2-CD2 4.2Å; T36-L222 WeakPolarHBondContact OG1-CD2 3.39Å; F179-L222 HydrophobicContact CZ-CD1 4.01Å; F209-L222 VanDerWaalsContact CD2-O 3.27Å; F209-L222 WeakPolarHBondContact CD2-O 3.46Å; F209-L222 HydrophobicContact CE2-CB 3.81Å; F209-L222 VanDerWaalsContact CE2-O 3.25Å; F209-L222 WeakPolarHBondContact CE2-O 3.43Å; F209-L222 HydrophobicContact CZ-CB 3.76Å; F209-L222 HydrophobicContact CZ-CD1 4.25Å; L222-I227 HydrophobicContact CB-CD1 3.92Å; L222-I227 HydrophobicContact CD1-CD1 3.97Å; L222-I227 HydrophobicContact CG-CD1 4.38Å; L222-A237 HydrophobicContact CD2-CB 3.9Å; L222-I238 HydrophobicContact CD1-CG1 4.23Å; L222-Y241 HydrophobicContact CD1-CD1 3.46Å; L222-Y241 VanDerWaalsContact CD1-CD1 3.46Å; L222-Y241 HydrophobicContact CD1-CE1 4.36Å; L222-Y241 HydrophobicContact CD1-CG 3.74Å; L222-Y241 HydrophobicContact CG-CD1 4.1Å; L222-Y241 HydrophobicContact CG-CG 4.05Å
223	D	89.8	Confident	88.5	Confident	77 Å²	77	57 Å²	57	41%	0.412	30%	0.303	S	S	.	.			trans	-96.1	129.8	170.2	-74.8	-53.1	0	0	0	110.3	K35 E225 D226 I227	K35-D223 VanDerWaalsContact CD-OD2 3.28Å; K35-D223 WeakPolarHBondContact CD-OD2 3.38Å; K35-D223 WeakPolarHBondContact CE-OD2 3.3Å; K35-D223 IonicContact NZ-OD2 2.71Å; K35-D223 PolarHBondContact NZ-OD2 3Å; D223-E225 VanDerWaalsContact C-N 3.27Å; D223-E225 PolarHBondContact O-N 2.9Å; D223-D226 HydrophobicContact CB-CB 4.28Å; D223-D226 PolarHBondContact O-N 3.35Å; D223-I227 PolarHBondContact O-N 3.38Å
224	A	91.1	Very high	88.4	Confident	2 Å²	2	53.3 Å²	53.3	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-37.3	-179.8	0	0	0	0	0	112.2	L202 L205 N206 F209 I227 V228	L202-A224 HydrophobicContact CD1-CB 3.78Å; L205-A224 HydrophobicContact CB-CB 3.59Å; L205-A224 HydrophobicContact CD1-CB 4.16Å; N206-A224 WeakPolarHBondContact OD1-CB 3.4Å; F209-A224 HydrophobicContact CE2-CB 4.42Å; A224-I227 PolarHBondContact O-N 2.97Å; A224-V228 WeakPolarHBondContact O-CB 3.46Å; A224-V228 VanDerWaalsContact O-CG2 3.3Å; A224-V228 WeakPolarHBondContact O-CG2 3.04Å; A224-V228 PolarHBondContact O-N 3.36Å
225	E	88.5	Confident	88.4	Confident	149 Å²	149	48.5 Å²	48.5	70%	0.696	27%	0.266	S	S	*	.	H	α-helix	trans	-63.4	-44.3	177.8	-63.9	-175.6	172.4	0	0	112.5	L202 D223 I227 V228 G229	L202-E225 HydrophobicContact CD1-CG 3.93Å; D223-E225 VanDerWaalsContact C-N 3.27Å; D223-E225 PolarHBondContact O-N 2.9Å; E225-I227 PolarHBondContact O-N 3.49Å; E225-V228 PolarHBondContact O-N 3.38Å; E225-G229 PolarHBondContact O-N 2.88Å
226	D	86.8	Confident	88.5	Confident	27 Å²	27	45.8 Å²	45.8	14%	0.144	26%	0.256	C	S	.	.	H	α-helix	trans	-67.2	-36	-179.9	-78.4	-28.5	0	0	0	111.1	K31 K35 D223 T230	K31-D226 IonicContact NZ-OD1 2.89Å; K31-D226 PolarHBondContact NZ-OD1 2.76Å; K31-D226 IonicContact NZ-OD2 2.74Å; K31-D226 PolarHBondContact NZ-OD2 3.04Å; K35-D226 IonicContact NZ-OD2 2.85Å; K35-D226 PolarHBondContact NZ-OD2 2.78Å; D223-D226 HydrophobicContact CB-CB 4.28Å; D223-D226 PolarHBondContact O-N 3.35Å; D226-T230 VanDerWaalsContact O-CB 3.3Å; D226-T230 WeakPolarHBondContact O-CB 3.43Å; D226-T230 PolarHBondContact O-N 3.22Å; D226-T230 PolarHBondContact O-OG1 3.32Å
227	I	89	Confident	88.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-47.6	174.2	-69.2	170.5	0	0	0	111.8	K174 L205 F209 L222 D223 A224 E225 P233	K174-I227 WeakPolarHBondContact CE-O 3.45Å; K174-I227 HydrophobicContact CG-CG2 4.26Å; L205-I227 HydrophobicContact CD1-CB 4.01Å; L205-I227 HydrophobicContact CD1-CD1 4.43Å; L205-I227 HydrophobicContact CD1-CG2 3.72Å; L205-I227 HydrophobicContact CD2-CD1 4.07Å; L205-I227 HydrophobicContact CD2-CG2 4.45Å; F209-I227 HydrophobicContact CE2-CD1 4.25Å; F209-I227 HydrophobicContact CZ-CD1 3.84Å; L222-I227 HydrophobicContact CB-CD1 3.92Å; L222-I227 HydrophobicContact CD1-CD1 3.97Å; L222-I227 HydrophobicContact CG-CD1 4.38Å; D223-I227 PolarHBondContact O-N 3.38Å; A224-I227 PolarHBondContact O-N 2.97Å; E225-I227 PolarHBondContact O-N 3.49Å; I227-P233 HydrophobicContact CG2-CG 4Å
228	V	88.4	Confident	89.1	Confident	45 Å²	45	39.5 Å²	39.5	27%	0.273	22%	0.223	S	C	.	.	H	α-helix	trans	-70.1	-42.6	-176.4	174	0	0	0	0	110.8	K174 P201 L202 L205 A224 E225 T230	K174-V228 WeakPolarHBondContact CE-O 3.37Å; K174-V228 PolarHBondContact NZ-O 3.49Å; P201-V228 HydrophobicContact CB-CG2 3.9Å; P201-V228 HydrophobicContact CG-CG1 4.14Å; P201-V228 HydrophobicContact CG-CG2 3.89Å; L202-V228 HydrophobicContact CD1-CG2 4.49Å; L205-V228 HydrophobicContact CD1-CG2 3.74Å; A224-V228 WeakPolarHBondContact O-CB 3.46Å; A224-V228 VanDerWaalsContact O-CG2 3.3Å; A224-V228 WeakPolarHBondContact O-CG2 3.04Å; A224-V228 PolarHBondContact O-N 3.36Å; E225-V228 PolarHBondContact O-N 3.38Å; V228-T230 PolarHBondContact O-N 2.73Å
229	G	84.5	Confident	89.2	Confident	68 Å²	68	39.3 Å²	39.3	70%	0.701	22%	0.222	S	C	*	.	H	α-helix	trans	-68.7	-28.8	-178.9	0	0	0	0	0	114.7	E225	E225-G229 PolarHBondContact O-N 2.88Å
230	T	84.8	Confident	89.4	Confident	21 Å²	21	38.2 Å²	38.2	13%	0.129	21%	0.214	C	C	.	.	S	Bend	trans	-85.3	134.5	-178.2	-52.5	0	0	0	0	111.6	A28 K174 D226 V228 R232	A28-T230 HydrophobicContact CB-CG2 4.39Å; K174-T230 PolarHBondContact NZ-O 3.13Å; D226-T230 VanDerWaalsContact O-CB 3.3Å; D226-T230 WeakPolarHBondContact O-CB 3.43Å; D226-T230 PolarHBondContact O-N 3.22Å; D226-T230 PolarHBondContact O-OG1 3.32Å; V228-T230 PolarHBondContact O-N 2.73Å; T230-R232 VanDerWaalsContact CG2-O 3.3Å; T230-R232 WeakPolarHBondContact CG2-O 3.42Å; T230-R232 PolarHBondContact O-N 2.91Å
231	A	83.9	Confident	89.6	Confident	93 Å²	93	34.6 Å²	34.6	77%	0.769	20%	0.199	S	C	*	.	S	Bend	trans	-59	-45.4	-178.8	0	0	0	0	0	112.8
232	R	87.2	Confident	89.8	Confident	107 Å²	107	34.4 Å²	34.4	40%	0.404	20%	0.198	S	C	.	.	S	Bend	trans	-125.8	108.4	172.2	-178.5	178	-176.6	-166.3	-1.6	108.3	W29 H170 I171 T230 E235	W29-R232 HydrophobicContact CZ2-CG 4.47Å; W29-R232 PolarHBondContact NE1-O 3.33Å; H170-R232 HydrophobicContact CB-CG 4Å; H170-R232 PolarHBondContact CD2-NH2 3.14Å; H170-R232 PolarHBondContact NE2-NE 3.31Å; H170-R232 PolarHBondContact NE2-NH2 3.34Å; I171-R232 HydrophobicContact CD1-CG 4.4Å; I171-R232 HydrophobicContact CG1-CG 4.36Å; T230-R232 VanDerWaalsContact CG2-O 3.3Å; T230-R232 WeakPolarHBondContact CG2-O 3.42Å; T230-R232 PolarHBondContact O-N 2.91Å; R232-E235 IonicContact NH2-OE2 2.93Å
233	P	89	Confident	89.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.			trans	-56.1	149.6	173.7	-25.6	35.5	0	0	0	111.7	H170 K174 I227 E235 I238	H170-P233 WeakPolarHBondContact CB-O 3.45Å; K174-P233 HydrophobicContact CB-CG 4.29Å; K174-P233 HydrophobicContact CD-CG 4.34Å; K174-P233 HydrophobicContact CG-CG 4.39Å; I227-P233 HydrophobicContact CG2-CG 4Å; P233-E235 PolarHBondContact O-N 2.89Å; P233-I238 HydrophobicContact CB-CD1 3.74Å
234	D	90.1	Very high	89.8	Confident	7 Å²	7	31.4 Å²	31.4	4%	0.037	18%	0.183	C	C	.	.			trans	-65	127.6	179.2	178.9	75.2	0	0	0	112	W29 Q32 Q33 K236 A237 I238	W29-D234 HydrophobicContact CB-CB 4.38Å; W29-D234 HydrophobicContact CG-CB 4.22Å; Q32-D234 HydrophobicContact CB-CB 4.31Å; Q32-D234 HydrophobicContact CG-CB 4.31Å; Q33-D234 WeakPolarHBondContact CG-OD2 3.46Å; Q33-D234 PolarHBondContact NE2-OD1 3.09Å; Q33-D234 PolarHBondContact NE2-OD2 3.39Å; D234-K236 WeakPolarHBondContact OD2-CB 3.31Å; D234-K236 PolarHBondContact OD2-N 3.43Å; D234-A237 HydrophobicContact CB-CB 4.05Å; D234-A237 WeakPolarHBondContact OD2-CB 3.46Å; D234-A237 PolarHBondContact OD2-N 2.66Å; D234-I238 PolarHBondContact O-N 3.16Å
235	E	90.7	Very high	89.8	Confident	48 Å²	48	31.3 Å²	31.3	22%	0.224	18%	0.183	C	C	.	.	H	α-helix	trans	-67.6	-39.2	-173.8	-167	177.2	146.2	0	0	112.2	K147 F169 H170 R232 P233 I238 M239	K147-E235 WeakPolarHBondContact CE-OE1 3.44Å; K147-E235 IonicContact NZ-OE1 2.78Å; K147-E235 PolarHBondContact NZ-OE1 2.73Å; F169-E235 HydrophobicContact CB-CG 3.8Å; F169-E235 WeakPolarHBondContact O-CA 3.35Å; H170-E235 IonicContact CD2-OE2 3.61Å; R232-E235 IonicContact NH2-OE2 2.93Å; P233-E235 PolarHBondContact O-N 2.89Å; E235-I238 PolarHBondContact O-N 2.72Å; E235-M239 HydrophobicContact CG-SD 4.37Å; E235-M239 WeakPolarHBondContact O-CB 2.98Å; E235-M239 VanDerWaalsContact O-CG 3.31Å; E235-M239 WeakPolarHBondContact O-CG 3.41Å; E235-M239 PolarHBondContact O-N 3.27Å
236	K	90.9	Very high	89.8	Confident	69 Å²	69	25.9 Å²	25.9	30%	0.3	16%	0.156	S	C	.	.	H	α-helix	trans	-67.1	-45.6	-178.5	-64	-179.1	174.9	-175.8	0	110.7	F37 W128 D234 I238 M239 T240	F37-K236 HydrophobicContact CE1-CB 4.43Å; F37-K236 HydrophobicContact CZ-CB 4.01Å; W128-K236 HydrophobicContact CB-CD 4.43Å; W128-K236 HydrophobicContact CD2-CB 4.04Å; W128-K236 HydrophobicContact CD2-CD 3.58Å; W128-K236 HydrophobicContact CD2-CG 3.79Å; W128-K236 HydrophobicContact CE3-CB 3.6Å; W128-K236 HydrophobicContact CE3-CD 4.04Å; W128-K236 HydrophobicContact CE3-CG 3.88Å; W128-K236 HydrophobicContact CG-CD 3.73Å; W128-K236 HydrophobicContact CG-CG 4.46Å; W128-K236 HydrophobicContact CH2-CB 3.98Å; W128-K236 HydrophobicContact CH2-CG 3.92Å; W128-K236 HydrophobicContact CZ2-CB 4.4Å; W128-K236 HydrophobicContact CZ2-CD 4.37Å; W128-K236 HydrophobicContact CZ2-CG 3.86Å; W128-K236 HydrophobicContact CZ3-CB 3.56Å; W128-K236 HydrophobicContact CZ3-CG 3.94Å; D234-K236 WeakPolarHBondContact OD2-CB 3.31Å; D234-K236 PolarHBondContact OD2-N 3.43Å; K236-I238 VanDerWaalsContact C-N 3.35Å; K236-I238 PolarHBondContact O-N 3.05Å; K236-M239 PolarHBondContact O-N 3.32Å; K236-T240 PolarHBondContact O-N 3.03Å; K236-T240 PolarHBondContact O-OG1 3.38Å
237	A	92.1	Very high	89.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.5	-44.3	178	0	0	0	0	0	112.3	Q32 T36 L222 D234 Y241	Q32-A237 HydrophobicContact CG-CB 3.94Å; T36-A237 HydrophobicContact CG2-CB 4.12Å; T36-A237 WeakPolarHBondContact CG2-O 3.43Å; L222-A237 HydrophobicContact CD2-CB 3.9Å; D234-A237 HydrophobicContact CB-CB 4.05Å; D234-A237 WeakPolarHBondContact OD2-CB 3.46Å; D234-A237 PolarHBondContact OD2-N 2.66Å; A237-Y241 PolarHBondContact O-N 3.15Å
238	I	93.9	Very high	89.5	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.9	-41.4	176.5	-65.5	-168.8	0	0	0	111.2	F169 W173 F179 L222 P233 D234 E235 K236 T240 Y241 V242	F169-I238 HydrophobicContact CB-CG2 4.18Å; F169-I238 HydrophobicContact CD1-CG2 4.35Å; F169-I238 VanDerWaalsContact O-CB 3.23Å; F169-I238 WeakPolarHBondContact O-CB 3.34Å; F169-I238 WeakPolarHBondContact O-CG2 3.43Å; W173-I238 HydrophobicContact CB-CD1 3.95Å; W173-I238 HydrophobicContact CB-CG2 4.26Å; W173-I238 HydrophobicContact CD2-CG2 4.24Å; W173-I238 HydrophobicContact CG-CG2 3.83Å; F179-I238 HydrophobicContact CZ-CG2 4.3Å; L222-I238 HydrophobicContact CD1-CG1 4.23Å; P233-I238 HydrophobicContact CB-CD1 3.74Å; D234-I238 PolarHBondContact O-N 3.16Å; E235-I238 PolarHBondContact O-N 2.72Å; K236-I238 VanDerWaalsContact C-N 3.35Å; K236-I238 PolarHBondContact O-N 3.05Å; I238-T240 PolarHBondContact O-N 3.22Å; I238-Y241 PolarHBondContact O-N 3.29Å; I238-V242 HydrophobicContact CG2-CG2 3.9Å; I238-V242 WeakPolarHBondContact O-CB 3.35Å; I238-V242 VanDerWaalsContact O-CG2 3.28Å; I238-V242 WeakPolarHBondContact O-CG2 3.46Å; I238-V242 PolarHBondContact O-N 2.91Å
239	M	92.4	Very high	89.2	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.02	18%	0.177	C	C	.	.	H	α-helix	trans	-56.3	-46.2	174.4	-78.5	-178.7	66.8	0	0	112.5	W128 I136 K147 F169 E235 K236 Y241 V242 S243	W128-M239 HydrophobicContact CH2-CB 4.06Å; W128-M239 HydrophobicContact CH2-CE 4.03Å; W128-M239 HydrophobicContact CH2-SD 4.02Å; W128-M239 HydrophobicContact CZ2-CE 4.49Å; W128-M239 HydrophobicContact CZ3-CB 4.41Å; I136-M239 HydrophobicContact CD1-CB 4.03Å; I136-M239 HydrophobicContact CD1-CE 3.96Å; I136-M239 HydrophobicContact CG2-CE 4.12Å; K147-M239 HydrophobicContact CB-CE 4.04Å; K147-M239 HydrophobicContact CD-CE 4.19Å; K147-M239 HydrophobicContact CD-SD 4.35Å; K147-M239 HydrophobicContact CG-CE 3.72Å; K147-M239 HydrophobicContact CG-SD 4.26Å; F169-M239 HydrophobicContact CB-CG 3.58Å; F169-M239 HydrophobicContact CD1-CG 3.94Å; F169-M239 HydrophobicContact CD2-CG 3.4Å; F169-M239 VanDerWaalsContact CD2-CG 3.4Å; F169-M239 HydrophobicContact CD2-SD 3.85Å; F169-M239 HydrophobicContact CE1-CG 4.46Å; F169-M239 HydrophobicContact CE2-CG 3.99Å; F169-M239 HydrophobicContact CE2-SD 4.37Å; F169-M239 HydrophobicContact CG-CG 3.37Å; F169-M239 HydrophobicContact CG-SD 4.36Å; F169-M239 HydrophobicContact CZ-CG 4.47Å; E235-M239 HydrophobicContact CG-SD 4.37Å; E235-M239 WeakPolarHBondContact O-CB 2.98Å; E235-M239 VanDerWaalsContact O-CG 3.31Å; E235-M239 WeakPolarHBondContact O-CG 3.41Å; E235-M239 PolarHBondContact O-N 3.27Å; K236-M239 PolarHBondContact O-N 3.32Å; M239-Y241 VanDerWaalsContact C-N 3.31Å; M239-Y241 PolarHBondContact O-N 2.95Å; M239-V242 PolarHBondContact O-N 3.32Å; M239-S243 WeakPolarHBondContact O-CB 3.48Å; M239-S243 PolarHBondContact O-N 3.49Å; M239-S243 PolarHBondContact O-OG 3.2Å
240	T	92.7	Very high	88.7	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.3	-40.9	176.1	-56.3	0	0	0	0	112.5	T36 W40 I131 M221 K236 I238 S243 S244	T36-T240 HydrophobicContact CG2-CG2 4.18Å; W40-T240 HydrophobicContact CB-CG2 3.85Å; W40-T240 HydrophobicContact CG-CG2 3.7Å; I131-T240 HydrophobicContact CD1-CG2 3.98Å; I131-T240 HydrophobicContact CG2-CG2 4.04Å; M221-T240 HydrophobicContact SD-CG2 4.22Å; K236-T240 PolarHBondContact O-N 3.03Å; K236-T240 PolarHBondContact O-OG1 3.38Å; I238-T240 PolarHBondContact O-N 3.22Å; T240-S243 PolarHBondContact O-OG 3.24Å; T240-S243 VanDerWaalsContact O-OG 3.07Å; T240-S244 PolarHBondContact O-N 3.49Å; T240-S244 PolarHBondContact O-OG 3.14Å
241	Y	94.4	Very high	87.7	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-76.4	-41.8	-178.1	-164.2	-124.3	0	0	0	111.8	F179 F209 I218 P219 M221 L222 A237 I238 M239 S244 F245	F179-Y241 HydrophobicContact CD1-CD1 4.24Å; F179-Y241 HydrophobicContact CD1-CE1 4.36Å; F179-Y241 AromaticContact CE1-CD1 3.6Å; F179-Y241 HydrophobicContact CE1-CD1 3.6Å; F179-Y241 HydrophobicContact CE1-CE1 4.15Å; F179-Y241 HydrophobicContact CZ-CD1 4.04Å; F209-Y241 AromaticContact CD1-CE1 3.44Å; F209-Y241 HydrophobicContact CD1-CE1 3.44Å; F209-Y241 VanDerWaalsContact CD1-CE1 3.44Å; F209-Y241 AromaticContact CD1-CZ 3.91Å; F209-Y241 HydrophobicContact CE1-CD1 4.09Å; F209-Y241 AromaticContact CE1-CE1 3.42Å; F209-Y241 HydrophobicContact CE1-CE1 3.42Å; F209-Y241 VanDerWaalsContact CE1-CE1 3.42Å; F209-Y241 HydrophobicContact CG-CE1 4.41Å; F209-Y241 HydrophobicContact CZ-CE1 4.35Å; I218-Y241 HydrophobicContact CG2-CD2 4.37Å; I218-Y241 HydrophobicContact CG2-CE2 3.7Å; P219-Y241 WeakPolarHBondContact O-CE2 3.47Å; M221-Y241 HydrophobicContact CB-CD2 3.73Å; M221-Y241 HydrophobicContact CB-CE2 4.24Å; M221-Y241 HydrophobicContact CE-CD2 3.99Å; M221-Y241 HydrophobicContact CE-CE2 4.36Å; M221-Y241 HydrophobicContact CG-CD2 3.69Å; M221-Y241 HydrophobicContact CG-CE2 4.03Å; M221-Y241 HydrophobicContact SD-CD2 3.98Å; L222-Y241 HydrophobicContact CD1-CD1 3.46Å; L222-Y241 VanDerWaalsContact CD1-CD1 3.46Å; L222-Y241 HydrophobicContact CD1-CE1 4.36Å; L222-Y241 HydrophobicContact CD1-CG 3.74Å; L222-Y241 HydrophobicContact CG-CD1 4.1Å; L222-Y241 HydrophobicContact CG-CG 4.05Å; A237-Y241 PolarHBondContact O-N 3.15Å; I238-Y241 PolarHBondContact O-N 3.29Å; M239-Y241 VanDerWaalsContact C-N 3.31Å; M239-Y241 PolarHBondContact O-N 2.95Å; Y241-S244 WeakPolarHBondContact O-CB 3.49Å; Y241-S244 PolarHBondContact O-N 2.96Å; Y241-F245 AromaticContact CD1-CE2 3.8Å; Y241-F245 HydrophobicContact CD1-CE2 3.8Å; Y241-F245 AromaticContact CE1-CE2 3.45Å; Y241-F245 HydrophobicContact CE1-CE2 3.45Å; Y241-F245 VanDerWaalsContact CE1-CE2 3.45Å; Y241-F245 AromaticContact CE1-CZ 3.97Å; Y241-F245 HydrophobicContact CE1-CZ 3.97Å; Y241-F245 HydrophobicContact CE2-CE2 4.42Å; Y241-F245 HydrophobicContact CG-CE2 4.43Å; Y241-F245 AromaticContact CZ-CE2 3.79Å; Y241-F245 WeakPolarHBondContact O-CD2 3.4Å; Y241-F245 PolarHBondContact O-N 3.02Å
242	V	93.9	Very high	86.8	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.9	-37.3	177.6	176.2	0	0	0	0	112	L150 C154 F169 W173 F179 I238 M239 S244 F245 Y246	L150-V242 HydrophobicContact CD1-CG1 4.21Å; L150-V242 HydrophobicContact CG-CG1 4.36Å; C154-V242 WeakPolarHBondContact SG-CG1 3.28Å; F169-V242 HydrophobicContact CE1-CB 4.33Å; F169-V242 HydrophobicContact CE1-CG1 4.02Å; W173-V242 HydrophobicContact CD2-CG2 4.22Å; W173-V242 HydrophobicContact CE3-CG2 4.14Å; W173-V242 HydrophobicContact CH2-CG1 3.91Å; W173-V242 HydrophobicContact CH2-CG2 3.7Å; W173-V242 HydrophobicContact CZ2-CG1 4.01Å; W173-V242 HydrophobicContact CZ2-CG2 3.77Å; W173-V242 HydrophobicContact CZ3-CG2 3.89Å; F179-V242 HydrophobicContact CD1-CG2 4.49Å; F179-V242 HydrophobicContact CE1-CG2 3.63Å; F179-V242 HydrophobicContact CZ-CG2 4.27Å; I238-V242 HydrophobicContact CG2-CG2 3.9Å; I238-V242 WeakPolarHBondContact O-CB 3.35Å; I238-V242 VanDerWaalsContact O-CG2 3.28Å; I238-V242 WeakPolarHBondContact O-CG2 3.46Å; I238-V242 PolarHBondContact O-N 2.91Å; M239-V242 PolarHBondContact O-N 3.32Å; V242-S244 PolarHBondContact O-N 2.9Å; V242-F245 WeakPolarHBondContact O-CB 3.39Å; V242-F245 PolarHBondContact O-N 2.85Å; V242-F245 VanDerWaalsContact O-N 3.16Å; V242-Y246 PolarHBondContact O-N 2.74Å
243	S	91.1	Very high	85.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-28.9	173.9	70.3	0	0	0	0	112.5	M239 T240 Y246 H247	M239-S243 WeakPolarHBondContact O-CB 3.48Å; M239-S243 PolarHBondContact O-N 3.49Å; M239-S243 PolarHBondContact O-OG 3.2Å; T240-S243 PolarHBondContact O-OG 3.24Å; T240-S243 VanDerWaalsContact O-OG 3.07Å; S243-Y246 WeakPolarHBondContact O-CB 3.49Å; S243-Y246 PolarHBondContact O-N 3.33Å; S243-Y246 VanDerWaalsContact O-N 3.15Å; S243-H247 PolarHBondContact O-CD2 3.33Å; S243-H247 PolarHBondContact O-N 3.37Å
244	S	90.6	Very high	84.8	Confident	20 Å²	20	32.1 Å²	32.1	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-67	-35.9	174.2	-56.3	0	0	0	0	112.2	M221 T240 Y241 V242 A248	M221-S244 WeakPolarHBondContact CE-OG 3.39Å; T240-S244 PolarHBondContact O-N 3.49Å; T240-S244 PolarHBondContact O-OG 3.14Å; Y241-S244 WeakPolarHBondContact O-CB 3.49Å; Y241-S244 PolarHBondContact O-N 2.96Å; V242-S244 PolarHBondContact O-N 2.9Å; S244-A248 WeakPolarHBondContact O-CB 3.43Å; S244-A248 PolarHBondContact O-N 3.5Å; S244-A248 VanDerWaalsContact O-N 3.08Å
245	F	91.3	Very high	83.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.1	-38.3	168.1	-71.4	-81.9	0	0	0	112.4	W153 F179 L182 I183 A212 L216 I218 Y241 V242 A248 F249	W153-F245 HydrophobicContact CH2-CB 4.44Å; F179-F245 HydrophobicContact CD1-CD2 4.49Å; F179-F245 AromaticContact CD1-CE2 3.92Å; F179-F245 HydrophobicContact CD1-CE2 3.92Å; F179-F245 HydrophobicContact CE1-CE2 4.35Å; L182-F245 HydrophobicContact CD2-CB 3.78Å; L182-F245 HydrophobicContact CD2-CG 4.14Å; I183-F245 HydrophobicContact CD1-CE1 3.7Å; I183-F245 HydrophobicContact CD1-CZ 4.08Å; I183-F245 HydrophobicContact CG1-CD1 4.14Å; I183-F245 HydrophobicContact CG1-CE1 3.56Å; I183-F245 HydrophobicContact CG1-CZ 4.34Å; A212-F245 HydrophobicContact CB-CE1 3.62Å; A212-F245 HydrophobicContact CB-CZ 3.54Å; L216-F245 HydrophobicContact CD1-CD1 4.25Å; L216-F245 HydrophobicContact CD1-CE1 4.05Å; I218-F245 HydrophobicContact CD1-CB 4.39Å; I218-F245 HydrophobicContact CD1-CD1 3.4Å; I218-F245 VanDerWaalsContact CD1-CD1 3.4Å; I218-F245 HydrophobicContact CD1-CD2 4.48Å; I218-F245 HydrophobicContact CD1-CE1 3.69Å; I218-F245 HydrophobicContact CD1-CG 3.85Å; I218-F245 HydrophobicContact CD1-CZ 4.36Å; Y241-F245 AromaticContact CD1-CE2 3.8Å; Y241-F245 HydrophobicContact CD1-CE2 3.8Å; Y241-F245 AromaticContact CE1-CE2 3.45Å; Y241-F245 HydrophobicContact CE1-CE2 3.45Å; Y241-F245 VanDerWaalsContact CE1-CE2 3.45Å; Y241-F245 AromaticContact CE1-CZ 3.97Å; Y241-F245 HydrophobicContact CE1-CZ 3.97Å; Y241-F245 HydrophobicContact CE2-CE2 4.42Å; Y241-F245 HydrophobicContact CG-CE2 4.43Å; Y241-F245 AromaticContact CZ-CE2 3.79Å; Y241-F245 WeakPolarHBondContact O-CD2 3.4Å; Y241-F245 PolarHBondContact O-N 3.02Å; V242-F245 WeakPolarHBondContact O-CB 3.39Å; V242-F245 PolarHBondContact O-N 2.85Å; V242-F245 VanDerWaalsContact O-N 3.16Å; F245-A248 PolarHBondContact O-N 3.45Å; F245-F249 HydrophobicContact CB-CD2 4.25Å; F245-F249 HydrophobicContact CB-CE2 4.17Å; F245-F249 AromaticContact CD1-CE2 3.82Å; F245-F249 HydrophobicContact CD1-CE2 3.82Å; F245-F249 HydrophobicContact CD1-CZ 4.24Å; F245-F249 HydrophobicContact CG-CE2 4.46Å; F245-F249 WeakPolarHBondContact O-CB 3.5Å; F245-F249 WeakPolarHBondContact O-CD2 3.19Å; F245-F249 WeakPolarHBondContact O-CG 3.24Å; F245-F249 PolarHBondContact O-N 2.97Å
246	Y	88.8	Confident	82.9	Confident	34 Å²	34	36.1 Å²	36.1	13%	0.133	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-47.6	175.1	-179.9	-87.7	0	0	0	111.4	I139 V141 L150 W153 V242 S243 F249 S250	I139-Y246 HydrophobicContact CB-CE1 4.29Å; I139-Y246 HydrophobicContact CD1-CD1 3.55Å; I139-Y246 HydrophobicContact CD1-CE1 4.02Å; I139-Y246 HydrophobicContact CD1-CG 3.92Å; I139-Y246 HydrophobicContact CG1-CD1 3.81Å; I139-Y246 HydrophobicContact CG1-CE1 3.75Å; I139-Y246 HydrophobicContact CG2-CD1 4.27Å; I139-Y246 HydrophobicContact CG2-CD2 4.3Å; I139-Y246 HydrophobicContact CG2-CE1 3.85Å; I139-Y246 HydrophobicContact CG2-CE2 3.89Å; I139-Y246 HydrophobicContact CG2-CG 4.49Å; V141-Y246 HydrophobicContact CG2-CE2 4.11Å; L150-Y246 HydrophobicContact CD1-CD2 4.09Å; L150-Y246 HydrophobicContact CD1-CG 4.04Å; W153-Y246 HydrophobicContact CB-CD2 4.45Å; W153-Y246 HydrophobicContact CB-CE2 4.43Å; W153-Y246 AromaticContact CD1-CD2 3.97Å; W153-Y246 AromaticContact CD1-CE2 3.76Å; W153-Y246 AromaticContact CD2-CD2 3.54Å; W153-Y246 HydrophobicContact CD2-CD2 3.54Å; W153-Y246 HydrophobicContact CD2-CE2 4.13Å; W153-Y246 AromaticContact CE2-CD2 3.62Å; W153-Y246 AromaticContact CE3-CD2 3.86Å; W153-Y246 HydrophobicContact CE3-CD2 3.86Å; W153-Y246 AromaticContact CG-CD2 3.79Å; W153-Y246 HydrophobicContact CG-CD2 3.79Å; W153-Y246 AromaticContact CG-CE2 3.9Å; W153-Y246 HydrophobicContact CG-CE2 3.9Å; W153-Y246 HydrophobicContact CH2-CD2 4.34Å; W153-Y246 HydrophobicContact CZ2-CD2 4.07Å; W153-Y246 HydrophobicContact CZ3-CD2 4.23Å; W153-Y246 AromaticContact NE1-CD2 3.86Å; W153-Y246 AromaticContact NE1-CE2 3.89Å; V242-Y246 PolarHBondContact O-N 2.74Å; S243-Y246 WeakPolarHBondContact O-CB 3.49Å; S243-Y246 PolarHBondContact O-N 3.33Å; S243-Y246 VanDerWaalsContact O-N 3.15Å; Y246-F249 PolarHBondContact O-N 2.91Å; Y246-S250 WeakPolarHBondContact O-CB 3.48Å; Y246-S250 PolarHBondContact O-N 3.18Å; Y246-S250 PolarHBondContact O-OG 3.45Å
247	H	85	Confident	81.9	Confident	90 Å²	90	36.7 Å²	36.7	42%	0.417	21%	0.211	S	C	.	.	H	α-helix	trans	-64.9	-40.3	177.9	-69.8	-54.2	0	0	0	112.7	A135 S243 F249 S250	A135-H247 PolarHBondContact O-NE2 3.4Å; S243-H247 PolarHBondContact O-CD2 3.33Å; S243-H247 PolarHBondContact O-N 3.37Å; H247-F249 PolarHBondContact O-N 2.76Å; H247-S250 PolarHBondContact O-OG 3.23Å
248	A	82.9	Confident	81.1	Confident	46 Å²	46	36.7 Å²	36.7	38%	0.38	21%	0.211	S	C	.	.	H	α-helix	trans	-63.7	-36.3	176	0	0	0	0	0	113.5	I218 S244 F245	I218-A248 HydrophobicContact CD1-CB 3.78Å; I218-A248 HydrophobicContact CG1-CB 4.15Å; S244-A248 WeakPolarHBondContact O-CB 3.43Å; S244-A248 PolarHBondContact O-N 3.5Å; S244-A248 VanDerWaalsContact O-N 3.08Å; F245-A248 PolarHBondContact O-N 3.45Å
249	F	83.4	Confident	80.3	Confident	14 Å²	14	37 Å²	37	6%	0.061	21%	0.214	C	C	.	.	H	α-helix	trans	-95.7	-23.4	-177.3	-62.7	-41.7	0	0	0	114.7	W153 L182 H186 R187 L216 F245 Y246 H247 G251 A252 Q253	W153-F249 HydrophobicContact CH2-CD2 4.12Å; W153-F249 HydrophobicContact CZ2-CB 4.21Å; W153-F249 HydrophobicContact CZ2-CD2 4.28Å; L182-F249 HydrophobicContact CG-CE2 4.46Å; H186-F249 HydrophobicContact CB-CD1 3.69Å; H186-F249 HydrophobicContact CB-CD2 4.19Å; H186-F249 HydrophobicContact CB-CE1 3.74Å; H186-F249 HydrophobicContact CB-CE2 4.23Å; H186-F249 HydrophobicContact CB-CG 3.94Å; H186-F249 HydrophobicContact CB-CZ 4Å; H186-F249 AromaticContact CE1-CD2 3.83Å; H186-F249 AromaticContact CG-CD1 3.98Å; H186-F249 AromaticContact CG-CD2 3.76Å; H186-F249 AromaticContact CG-CG 3.68Å; H186-F249 AromaticContact ND1-CD2 3.43Å; H186-F249 WeakPolarHBondContact ND1-CD2 3.41Å; H186-F249 AromaticContact ND1-CE2 3.72Å; H186-F249 AromaticContact ND1-CG 3.84Å; R187-F249 HydrophobicContact CG-CE1 4.03Å; L216-F249 HydrophobicContact CD1-CE1 3.92Å; L216-F249 HydrophobicContact CD1-CZ 3.57Å; L216-F249 HydrophobicContact CD2-CE1 4Å; L216-F249 HydrophobicContact CD2-CZ 4.45Å; F245-F249 HydrophobicContact CB-CD2 4.25Å; F245-F249 HydrophobicContact CB-CE2 4.17Å; F245-F249 AromaticContact CD1-CE2 3.82Å; F245-F249 HydrophobicContact CD1-CE2 3.82Å; F245-F249 HydrophobicContact CD1-CZ 4.24Å; F245-F249 HydrophobicContact CG-CE2 4.46Å; F245-F249 WeakPolarHBondContact O-CB 3.5Å; F245-F249 WeakPolarHBondContact O-CD2 3.19Å; F245-F249 WeakPolarHBondContact O-CG 3.24Å; F245-F249 PolarHBondContact O-N 2.97Å; Y246-F249 PolarHBondContact O-N 2.91Å; H247-F249 PolarHBondContact O-N 2.76Å; F249-G251 VanDerWaalsContact C-N 3.33Å; F249-G251 PolarHBondContact O-N 3.26Å; F249-A252 PolarHBondContact O-N 2.95Å; F249-Q253 PolarHBondContact O-N 3.32Å
250	S	72.8	Confident	79.5	Confident	14 Å²	14	41.6 Å²	41.6	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-70.2	-26.1	-179.2	57.2	0	0	0	0	113.4	Y246 H247 A252 Q253 K254	Y246-S250 WeakPolarHBondContact O-CB 3.48Å; Y246-S250 PolarHBondContact O-N 3.18Å; Y246-S250 PolarHBondContact O-OG 3.45Å; H247-S250 PolarHBondContact O-OG 3.23Å; S250-A252 VanDerWaalsContact C-N 3.35Å; S250-A252 PolarHBondContact O-N 3.46Å; S250-Q253 PolarHBondContact O-N 2.67Å; S250-K254 WeakPolarHBondContact O-CG 3.36Å; S250-K254 PolarHBondContact O-N 2.91Å
251	G	65.7	Low	79	Confident	42 Å²	42	45.6 Å²	45.6	43%	0.433	25%	0.253	S	S	.	.	H	α-helix	trans	-57.9	-45.1	171.5	0	0	0	0	0	112.5	F249 K254 A255	F249-G251 VanDerWaalsContact C-N 3.33Å; F249-G251 PolarHBondContact O-N 3.26Å; G251-K254 PolarHBondContact O-N 3Å; G251-A255 PolarHBondContact O-N 3.32Å; G251-A255 VanDerWaalsContact O-N 3.13Å
252	A	64.9	Low	78.4	Confident	69 Å²	69	45.6 Å²	45.6	57%	0.57	25%	0.253	S	S	*	.	H	α-helix	trans	-65	-40.3	176.2	0	0	0	0	0	112.3	F249 S250 K254 A255 E256	F249-A252 PolarHBondContact O-N 2.95Å; S250-A252 VanDerWaalsContact C-N 3.35Å; S250-A252 PolarHBondContact O-N 3.46Å; A252-K254 VanDerWaalsContact C-N 3.32Å; A252-K254 PolarHBondContact O-N 3.3Å; A252-A255 PolarHBondContact O-N 2.93Å; A252-E256 WeakPolarHBondContact O-CB 3.35Å; A252-E256 PolarHBondContact O-N 2.67Å
253	Q	65	Low	78	Confident	81 Å²	81	46.7 Å²	46.7	38%	0.379	26%	0.261	S	S	.	.	H	α-helix	trans	-67.8	-29.5	177.8	-171.7	172.6	-30.7	0	0	113	F249 S250 T257	F249-Q253 PolarHBondContact O-N 3.32Å; S250-Q253 PolarHBondContact O-N 2.67Å; Q253-T257 WeakPolarHBondContact O-CB 3.32Å; Q253-T257 PolarHBondContact O-N 2.92Å; Q253-T257 VanDerWaalsContact O-N 3.12Å; Q253-T257 PolarHBondContact O-OG1 3.42Å
254	K	67.9	Low	77.6	Confident	136 Å²	136	53 Å²	53	59%	0.591	29%	0.289	S	S	*	.	H	α-helix	trans	-69.1	-44.2	171.2	-72.9	179.6	-178.8	-176.3	0	111.5	S250 G251 A252 T257 A258 I835	S250-K254 WeakPolarHBondContact O-CG 3.36Å; S250-K254 PolarHBondContact O-N 2.91Å; G251-K254 PolarHBondContact O-N 3Å; A252-K254 VanDerWaalsContact C-N 3.32Å; A252-K254 PolarHBondContact O-N 3.3Å; K254-T257 PolarHBondContact O-N 3.25Å; K254-A258 WeakPolarHBondContact O-CB 3.45Å; K254-A258 PolarHBondContact O-N 3.22Å; K254-I835 HydrophobicContact CB-CG2 4.34Å
255	A	70.2	Confident	77.3	Confident	16 Å²	16	52.4 Å²	52.4	13%	0.132	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-45.5	175.4	0	0	0	0	0	112.1	G251 A252 T257 A258 A259 L836	G251-A255 PolarHBondContact O-N 3.32Å; G251-A255 VanDerWaalsContact O-N 3.13Å; A252-A255 PolarHBondContact O-N 2.93Å; A255-T257 PolarHBondContact O-N 3Å; A255-A258 PolarHBondContact O-N 3.38Å; A255-A259 WeakPolarHBondContact O-CB 3.41Å; A255-A259 PolarHBondContact O-N 3.08Å; A255-L836 HydrophobicContact CB-CD2 4.26Å
256	E	70.8	Confident	77	Confident	123 Å²	123	52.4 Å²	52.4	58%	0.575	28%	0.284	S	S	*	.	H	α-helix	trans	-59.3	-45.6	176.2	-176.8	-179.5	-166.5	0	0	112	A252 A258 A259 N260	A252-E256 WeakPolarHBondContact O-CB 3.35Å; A252-E256 PolarHBondContact O-N 2.67Å; E256-A258 PolarHBondContact O-N 3.33Å; E256-A259 PolarHBondContact O-N 3.44Å; E256-N260 WeakPolarHBondContact O-CB 3.45Å; E256-N260 VanDerWaalsContact O-CG 3.27Å; E256-N260 PolarHBondContact O-N 3.23Å; E256-N260 PolarHBondContact O-ND2 2.89Å
257	T	70.2	Confident	76.9	Confident	81 Å²	81	53 Å²	53	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-41.1	176.3	-52.6	0	0	0	0	111.8	Q253 K254 A255 N260 R261	Q253-T257 WeakPolarHBondContact O-CB 3.32Å; Q253-T257 PolarHBondContact O-N 2.92Å; Q253-T257 VanDerWaalsContact O-N 3.12Å; Q253-T257 PolarHBondContact O-OG1 3.42Å; K254-T257 PolarHBondContact O-N 3.25Å; A255-T257 PolarHBondContact O-N 3Å; T257-N260 PolarHBondContact O-N 3.5Å; T257-R261 PolarHBondContact O-N 2.75Å; T257-R261 VanDerWaalsContact O-N 3.08Å
258	A	74.4	Confident	76.9	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-45.9	176.8	0	0	0	0	0	112.3	K254 A255 E256 N260 R261 I262 I835 L836	K254-A258 WeakPolarHBondContact O-CB 3.45Å; K254-A258 PolarHBondContact O-N 3.22Å; A255-A258 PolarHBondContact O-N 3.38Å; E256-A258 PolarHBondContact O-N 3.33Å; A258-N260 PolarHBondContact O-N 2.98Å; A258-R261 PolarHBondContact O-N 3.02Å; A258-I262 WeakPolarHBondContact O-CD1 3.47Å; A258-I262 WeakPolarHBondContact O-CG1 3.33Å; A258-I262 PolarHBondContact O-N 2.95Å; A258-I835 HydrophobicContact CB-CB 4.07Å; A258-I835 HydrophobicContact CB-CD1 4.27Å; A258-I835 HydrophobicContact CB-CG2 4.05Å; A258-L836 HydrophobicContact CB-CD2 4.24Å
259	A	77.6	Confident	77	Confident	7 Å²	7	49.8 Å²	49.8	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-44.8	174.7	0	0	0	0	0	111.6	A255 E256 R261 I262 C263 L836 E851 L852	A255-A259 WeakPolarHBondContact O-CB 3.41Å; A255-A259 PolarHBondContact O-N 3.08Å; E256-A259 PolarHBondContact O-N 3.44Å; A259-R261 PolarHBondContact O-N 2.99Å; A259-I262 PolarHBondContact O-N 2.76Å; A259-C263 PolarHBondContact O-N 2.96Å; A259-C263 PolarHBondContact O-SG 2.71Å; A259-L836 HydrophobicContact CB-CD2 4.22Å; A259-E851 WeakPolarHBondContact CB-O 3.24Å; A259-L852 HydrophobicContact CB-CD2 3.97Å
260	N	77	Confident	77.2	Confident	100 Å²	100	51.9 Å²	51.9	54%	0.535	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-41.1	177.7	-76.5	-39.1	0	0	0	112.7	E256 T257 A258 C263 K264	E256-N260 WeakPolarHBondContact O-CB 3.45Å; E256-N260 VanDerWaalsContact O-CG 3.27Å; E256-N260 PolarHBondContact O-N 3.23Å; E256-N260 PolarHBondContact O-ND2 2.89Å; T257-N260 PolarHBondContact O-N 3.5Å; A258-N260 PolarHBondContact O-N 2.98Å; N260-C263 PolarHBondContact O-N 3.43Å; N260-K264 PolarHBondContact O-N 2.89Å; N260-K264 VanDerWaalsContact O-N 3.13Å
261	R	80.6	Confident	78	Confident	83 Å²	83	55.8 Å²	55.8	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-48	173.1	-177.1	-173.2	-78.8	125.9	-6.1	110.9	T257 A258 A259 C263 K264 V265 D824 S832	T257-R261 PolarHBondContact O-N 2.75Å; T257-R261 VanDerWaalsContact O-N 3.08Å; A258-R261 PolarHBondContact O-N 3.02Å; A259-R261 PolarHBondContact O-N 2.99Å; R261-C263 PolarHBondContact O-N 2.75Å; R261-K264 WeakPolarHBondContact O-CB 3.34Å; R261-K264 PolarHBondContact O-N 3.43Å; R261-V265 HydrophobicContact CG-CG2 4.5Å; R261-V265 WeakPolarHBondContact O-CG2 3.42Å; R261-V265 PolarHBondContact O-N 3.37Å; R261-D824 VanDerWaalsContact CD-OD1 3.22Å; R261-D824 WeakPolarHBondContact CD-OD1 3.36Å; R261-D824 WeakPolarHBondContact CG-OD1 3.13Å; R261-D824 IonicContact CZ-OD1 3.51Å; R261-D824 IonicContact NE-OD1 3.75Å; R261-D824 PolarHBondContact NE-OD1 3.39Å; R261-S832 WeakPolarHBondContact CD-OG 3.46Å; R261-S832 PolarHBondContact NH1-OG 3.18Å
262	I	82.1	Confident	79.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.5	-50.2	178.7	-72.9	160.5	0	0	0	110.3	A258 A259 K264 V265 L266 F833 L836 L852	A258-I262 WeakPolarHBondContact O-CD1 3.47Å; A258-I262 WeakPolarHBondContact O-CG1 3.33Å; A258-I262 PolarHBondContact O-N 2.95Å; A259-I262 PolarHBondContact O-N 2.76Å; I262-K264 VanDerWaalsContact C-N 3.29Å; I262-K264 PolarHBondContact O-N 3.49Å; I262-V265 PolarHBondContact O-N 3.25Å; I262-V265 VanDerWaalsContact O-N 3.12Å; I262-L266 HydrophobicContact CG2-CD1 3.55Å; I262-L266 HydrophobicContact CG2-CG 4.04Å; I262-L266 VanDerWaalsContact O-CG 3.24Å; I262-L266 WeakPolarHBondContact O-CG 3.3Å; I262-L266 PolarHBondContact O-N 3.49Å; I262-F833 HydrophobicContact CB-CZ 4.45Å; I262-F833 HydrophobicContact CD1-CB 4.44Å; I262-F833 HydrophobicContact CD1-CD1 3.58Å; I262-F833 HydrophobicContact CD1-CD2 4.1Å; I262-F833 HydrophobicContact CD1-CE1 3.73Å; I262-F833 HydrophobicContact CD1-CE2 4.25Å; I262-F833 HydrophobicContact CD1-CG 3.77Å; I262-F833 HydrophobicContact CD1-CZ 4.07Å; I262-F833 HydrophobicContact CG1-CD1 4.4Å; I262-F833 HydrophobicContact CG1-CD2 4.24Å; I262-F833 HydrophobicContact CG1-CE1 4.2Å; I262-F833 HydrophobicContact CG1-CE2 4.05Å; I262-F833 HydrophobicContact CG1-CG 4.4Å; I262-F833 HydrophobicContact CG1-CZ 4.02Å; I262-F833 HydrophobicContact CG2-CE1 3.83Å; I262-F833 HydrophobicContact CG2-CE2 4.29Å; I262-F833 HydrophobicContact CG2-CZ 3.56Å; I262-L836 HydrophobicContact CD1-CD1 3.49Å; I262-L836 VanDerWaalsContact CD1-CD1 3.49Å; I262-L836 HydrophobicContact CD1-CG 4.14Å; I262-L852 HydrophobicContact CB-CD2 4.34Å; I262-L852 HydrophobicContact CG2-CD1 4.09Å; I262-L852 HydrophobicContact CG2-CD2 3.96Å
263	C	85.6	Confident	80.2	Confident	24 Å²	24	52.8 Å²	52.8	16%	0.162	27%	0.266	C	S	.	.	H	α-helix	trans	-56.3	-41.1	178.5	-65.7	0	0	0	0	112.7	A259 N260 R261 A267 P853	A259-C263 PolarHBondContact O-N 2.96Å; A259-C263 PolarHBondContact O-SG 2.71Å; N260-C263 PolarHBondContact O-N 3.43Å; R261-C263 PolarHBondContact O-N 2.75Å; C263-A267 WeakPolarHBondContact O-CB 3.42Å; C263-A267 PolarHBondContact O-N 2.76Å; C263-P853 WeakPolarHBondContact SG-CD 3.5Å
264	K	82.9	Confident	81.5	Confident	133 Å²	133	53.5 Å²	53.5	58%	0.578	27%	0.27	S	S	*	.	H	α-helix	trans	-63.2	-45.9	176.3	-174.9	-168.4	170.7	-152.9	0	111.9	N260 R261 I262 V268 D824	N260-K264 PolarHBondContact O-N 2.89Å; N260-K264 VanDerWaalsContact O-N 3.13Å; R261-K264 WeakPolarHBondContact O-CB 3.34Å; R261-K264 PolarHBondContact O-N 3.43Å; I262-K264 VanDerWaalsContact C-N 3.29Å; I262-K264 PolarHBondContact O-N 3.49Å; K264-V268 WeakPolarHBondContact O-CG2 3.34Å; K264-V268 PolarHBondContact O-N 3.37Å; K264-D824 IonicContact NZ-OD2 3.3Å; K264-D824 PolarHBondContact NZ-OD2 2.99Å
265	V	85.1	Confident	82.6	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.036	25%	0.25	C	C	.	.	H	α-helix	trans	-66.6	-39.2	-179.6	171.3	0	0	0	0	111.9	R261 I262 N269 R350 D824 V829 L886 Y887	R261-V265 HydrophobicContact CG-CG2 4.5Å; R261-V265 WeakPolarHBondContact O-CG2 3.42Å; R261-V265 PolarHBondContact O-N 3.37Å; I262-V265 PolarHBondContact O-N 3.25Å; I262-V265 VanDerWaalsContact O-N 3.12Å; V265-N269 PolarHBondContact O-N 3.5Å; V265-R350 PolarHBondContact O-NH2 2.98Å; V265-D824 HydrophobicContact CG2-CB 4.21Å; V265-V829 HydrophobicContact CB-CG2 4.43Å; V265-V829 HydrophobicContact CG1-CG2 4.12Å; V265-V829 HydrophobicContact CG2-CG2 3.91Å; V265-L886 HydrophobicContact CG1-CD1 4.14Å; V265-Y887 HydrophobicContact CG1-CE2 4.38Å
266	L	84.7	Confident	83.6	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-68.9	-42.9	177.5	-64.9	174.5	0	0	0	112.4	I262 V268 N269 Q270 Q856 Y859 C860 F882	I262-L266 HydrophobicContact CG2-CD1 3.55Å; I262-L266 HydrophobicContact CG2-CG 4.04Å; I262-L266 VanDerWaalsContact O-CG 3.24Å; I262-L266 WeakPolarHBondContact O-CG 3.3Å; I262-L266 PolarHBondContact O-N 3.49Å; L266-V268 VanDerWaalsContact C-N 3.31Å; L266-V268 PolarHBondContact O-N 2.93Å; L266-N269 WeakPolarHBondContact O-CA 3.08Å; L266-N269 WeakPolarHBondContact O-CB 3.16Å; L266-N269 PolarHBondContact O-N 3.2Å; L266-Q270 PolarHBondContact O-N 3.01Å; L266-Q856 HydrophobicContact CD1-CB 4.05Å; L266-Y859 HydrophobicContact CD2-CD1 3.9Å; L266-Y859 HydrophobicContact CD2-CE1 3.83Å; L266-C860 WeakPolarHBondContact CD1-SG 3.38Å; L266-F882 HydrophobicContact CD2-CE1 3.83Å; L266-F882 HydrophobicContact CD2-CZ 3.67Å
267	A	85.6	Confident	84.6	Confident	46 Å²	46	50 Å²	50	38%	0.38	25%	0.254	S	S	.	.	H	α-helix	trans	-57.6	-43.6	176.3	0	0	0	0	0	111.8	C263 N269 Q270 E271	C263-A267 WeakPolarHBondContact O-CB 3.42Å; C263-A267 PolarHBondContact O-N 2.76Å; A267-N269 VanDerWaalsContact C-N 3.28Å; A267-N269 PolarHBondContact O-N 2.91Å; A267-Q270 PolarHBondContact O-N 3.23Å; A267-E271 PolarHBondContact O-N 3.28Å
268	V	85	Confident	85.6	Confident	46 Å²	46	49.2 Å²	49.2	28%	0.279	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-32.3	173.6	174.9	0	0	0	0	111.8	K264 L266 N272	K264-V268 WeakPolarHBondContact O-CG2 3.34Å; K264-V268 PolarHBondContact O-N 3.37Å; L266-V268 VanDerWaalsContact C-N 3.31Å; L266-V268 PolarHBondContact O-N 2.93Å; V268-N272 WeakPolarHBondContact O-CB 3.23Å; V268-N272 PolarHBondContact O-N 3.29Å; V268-N272 PolarHBondContact O-ND2 3.46Å
269	N	86.3	Confident	86.5	Confident	23 Å²	23	49.2 Å²	49.2	12%	0.123	25%	0.247	C	C	.	.	H	α-helix	trans	-71.7	-43.5	175.2	-149.8	58.2	0	0	0	112.7	V265 L266 A267 E271 N272 E273 R350 Y859 L886	V265-N269 PolarHBondContact O-N 3.5Å; L266-N269 WeakPolarHBondContact O-CA 3.08Å; L266-N269 WeakPolarHBondContact O-CB 3.16Å; L266-N269 PolarHBondContact O-N 3.2Å; A267-N269 VanDerWaalsContact C-N 3.28Å; A267-N269 PolarHBondContact O-N 2.91Å; N269-E271 VanDerWaalsContact C-N 3.32Å; N269-E271 PolarHBondContact O-N 2.98Å; N269-N272 PolarHBondContact O-N 3.33Å; N269-E273 WeakPolarHBondContact O-CB 3.29Å; N269-E273 WeakPolarHBondContact O-CG 3.5Å; N269-E273 PolarHBondContact O-N 3.01Å; N269-R350 VanDerWaalsContact CG-NH1 3.35Å; N269-R350 PolarHBondContact OD1-NH1 3.01Å; N269-Y859 PolarHBondContact ND2-OH 3.08Å; N269-L886 HydrophobicContact CB-CD2 3.95Å; N269-L886 VanDerWaalsContact CG-CD2 3.41Å; N269-L886 WeakPolarHBondContact ND2-CD2 3.46Å
270	Q	87.7	Confident	87.2	Confident	57 Å²	57	50.2 Å²	50.2	27%	0.266	25%	0.25	S	S	.	.	H	α-helix	trans	-59.8	-42.4	176.7	-73.3	163.5	12.6	0	0	111.7	L266 A267 Q274 Y859	L266-Q270 PolarHBondContact O-N 3.01Å; A267-Q270 PolarHBondContact O-N 3.23Å; Q270-Q274 PolarHBondContact O-N 3.31Å; Q270-Y859 HydrophobicContact CG-CD2 3.6Å; Q270-Y859 HydrophobicContact CG-CE1 4.34Å; Q270-Y859 HydrophobicContact CG-CE2 3.27Å; Q270-Y859 HydrophobicContact CG-CG 4.26Å
271	E	88.5	Confident	88.1	Confident	97 Å²	97	52 Å²	52	45%	0.453	25%	0.253	S	S	.	.	H	α-helix	trans	-64.3	-43.5	176.2	-167.4	-172.7	164.2	0	0	112.1	A267 N269 Q274 L275 K344	A267-E271 PolarHBondContact O-N 3.28Å; N269-E271 VanDerWaalsContact C-N 3.32Å; N269-E271 PolarHBondContact O-N 2.98Å; E271-Q274 PolarHBondContact O-N 2.88Å; E271-L275 WeakPolarHBondContact O-CG 3.2Å; E271-L275 PolarHBondContact O-N 2.98Å; E271-L275 VanDerWaalsContact O-N 3.1Å; E271-K344 IonicContact OE1-NZ 3.56Å; E271-K344 PolarHBondContact OE1-NZ 3.06Å
272	N	89	Confident	88.7	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.011	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-42.4	177.5	-72.1	-28.2	0	0	0	112.1	V268 N269 L275 M276 L341 L345	V268-N272 WeakPolarHBondContact O-CB 3.23Å; V268-N272 PolarHBondContact O-N 3.29Å; V268-N272 PolarHBondContact O-ND2 3.46Å; N269-N272 PolarHBondContact O-N 3.33Å; N272-L275 PolarHBondContact O-N 3.32Å; N272-M276 HydrophobicContact CB-CE 4.47Å; N272-M276 VanDerWaalsContact O-CG 3.29Å; N272-M276 WeakPolarHBondContact O-CG 3.37Å; N272-M276 PolarHBondContact O-N 3.38Å; N272-L341 HydrophobicContact CB-CD1 4.24Å; N272-L345 HydrophobicContact CB-CD2 4.08Å
273	E	88.6	Confident	89.3	Confident	45 Å²	45	49.5 Å²	49.5	21%	0.21	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-42.3	175.3	-74.1	175.9	141.4	0	0	111.7	N269 L275 M276 E277 Y859 R863	N269-E273 WeakPolarHBondContact O-CB 3.29Å; N269-E273 WeakPolarHBondContact O-CG 3.5Å; N269-E273 PolarHBondContact O-N 3.01Å; E273-L275 VanDerWaalsContact C-N 3.34Å; E273-L275 PolarHBondContact O-N 3.5Å; E273-M276 WeakPolarHBondContact O-CB 3.36Å; E273-M276 PolarHBondContact O-N 3.46Å; E273-E277 PolarHBondContact O-N 3Å; E273-Y859 PolarHBondContact OE1-OH 3.05Å; E273-Y859 VanDerWaalsContact OE2-CE2 3.25Å; E273-Y859 WeakPolarHBondContact OE2-CE2 3.44Å; E273-Y859 PolarHBondContact OE2-OH 3.23Å; E273-R863 IonicContact OE1-CZ 3.86Å; E273-R863 VanDerWaalsContact OE1-CZ 3.31Å; E273-R863 IonicContact OE1-NE 2.72Å; E273-R863 PolarHBondContact OE1-NE 2.96Å; E273-R863 IonicContact OE1-NH2 3.74Å; E273-R863 PolarHBondContact OE1-NH2 2.95Å; E273-R863 IonicContact OE2-CZ 3.72Å; E273-R863 IonicContact OE2-NE 3.62Å; E273-R863 PolarHBondContact OE2-NE 3.46Å; E273-R863 IonicContact OE2-NH2 2.79Å; E273-R863 PolarHBondContact OE2-NH2 3.24Å
274	Q	91.1	Very high	89.8	Confident	96 Å²	96	49.7 Å²	49.7	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-41.6	175.7	-174.4	62.6	64.9	0	0	111.9	Q270 E271 M276 E277 D278	Q270-Q274 PolarHBondContact O-N 3.31Å; E271-Q274 PolarHBondContact O-N 2.88Å; Q274-M276 VanDerWaalsContact C-N 3.31Å; Q274-M276 PolarHBondContact O-N 3.06Å; Q274-E277 PolarHBondContact O-N 3.29Å; Q274-D278 PolarHBondContact NE2-OD1 3.43Å; Q274-D278 WeakPolarHBondContact O-CB 3.46Å; Q274-D278 VanDerWaalsContact O-CG 3.24Å; Q274-D278 PolarHBondContact O-N 3.15Å
275	L	90.8	Very high	90.4	Very high	33 Å²	33	47 Å²	47	17%	0.173	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-32.7	176.4	-72.7	169.8	0	0	0	112.7	E271 N272 E273 Y279 L341 K344	E271-L275 WeakPolarHBondContact O-CG 3.2Å; E271-L275 PolarHBondContact O-N 2.98Å; E271-L275 VanDerWaalsContact O-N 3.1Å; N272-L275 PolarHBondContact O-N 3.32Å; E273-L275 VanDerWaalsContact C-N 3.34Å; E273-L275 PolarHBondContact O-N 3.5Å; L275-Y279 PolarHBondContact O-N 2.91Å; L275-Y279 VanDerWaalsContact O-N 3.09Å; L275-L341 HydrophobicContact CB-CB 4.5Å; L275-L341 HydrophobicContact CB-CD1 3.95Å; L275-L341 HydrophobicContact CB-CD2 4.34Å; L275-L341 HydrophobicContact CB-CG 4.49Å; L275-L341 HydrophobicContact CD1-CD1 4.45Å; L275-K344 HydrophobicContact CD1-CD 4.06Å
276	M	91.1	Very high	90.9	Very high	48 Å²	48	46.8 Å²	46.8	24%	0.236	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-47.3	171.6	-66.3	168.8	-170.3	0	0	111.2	N272 E273 Q274 D278 Y279 E280 L341 L345 F353	N272-M276 HydrophobicContact CB-CE 4.47Å; N272-M276 VanDerWaalsContact O-CG 3.29Å; N272-M276 WeakPolarHBondContact O-CG 3.37Å; N272-M276 PolarHBondContact O-N 3.38Å; E273-M276 WeakPolarHBondContact O-CB 3.36Å; E273-M276 PolarHBondContact O-N 3.46Å; Q274-M276 VanDerWaalsContact C-N 3.31Å; Q274-M276 PolarHBondContact O-N 3.06Å; M276-D278 PolarHBondContact O-N 2.98Å; M276-Y279 PolarHBondContact O-N 2.8Å; M276-E280 WeakPolarHBondContact O-CB 3.36Å; M276-E280 WeakPolarHBondContact O-CG 3.44Å; M276-E280 PolarHBondContact O-N 2.9Å; M276-L341 HydrophobicContact CB-CD2 4.38Å; M276-L341 HydrophobicContact CE-CD1 4.41Å; M276-L341 HydrophobicContact CG-CD1 4.38Å; M276-L341 HydrophobicContact CG-CD2 3.62Å; M276-L345 HydrophobicContact CE-CD1 3.82Å; M276-L345 HydrophobicContact CE-CD2 3.92Å; M276-L345 HydrophobicContact CE-CG 4.47Å; M276-F353 HydrophobicContact CB-CD2 4.2Å; M276-F353 HydrophobicContact CB-CE2 3.92Å; M276-F353 HydrophobicContact CB-CZ 4.38Å; M276-F353 HydrophobicContact CE-CB 4.45Å; M276-F353 HydrophobicContact CE-CD2 4.4Å; M276-F353 HydrophobicContact CG-CD2 3.56Å; M276-F353 HydrophobicContact CG-CE2 3.81Å; M276-F353 HydrophobicContact CG-CG 4.07Å; M276-F353 HydrophobicContact SD-CD2 4.05Å
277	E	92.2	Very high	91.4	Very high	120 Å²	120	47.2 Å²	47.2	56%	0.561	24%	0.241	S	C	*	.	H	α-helix	trans	-61.6	-41.9	176.9	-72.4	-172.8	-171.8	0	0	112.1	E273 Q274 E280 K281	E273-E277 PolarHBondContact O-N 3Å; Q274-E277 PolarHBondContact O-N 3.29Å; E277-E280 PolarHBondContact O-N 3.22Å; E277-K281 VanDerWaalsContact O-CB 3.27Å; E277-K281 WeakPolarHBondContact O-CB 3.21Å; E277-K281 PolarHBondContact O-N 3.38Å
278	D	92	Very high	91.9	Very high	66 Å²	66	49.1 Å²	49.1	35%	0.353	24%	0.242	S	C	.	.	H	α-helix	trans	-64.4	-41.2	178.1	-73.1	-11.2	0	0	0	111.7	Q274 M276 L282	Q274-D278 PolarHBondContact NE2-OD1 3.43Å; Q274-D278 WeakPolarHBondContact O-CB 3.46Å; Q274-D278 VanDerWaalsContact O-CG 3.24Å; Q274-D278 PolarHBondContact O-N 3.15Å; M276-D278 PolarHBondContact O-N 2.98Å; D278-L282 VanDerWaalsContact O-CB 3.26Å; D278-L282 WeakPolarHBondContact O-CB 3.02Å; D278-L282 PolarHBondContact O-N 3.02Å; D278-L282 VanDerWaalsContact O-N 3.08Å
279	Y	93.8	Very high	92.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-51.8	171.3	175.1	-80.1	0	0	0	111.2	L275 M276 K281 L282 A283 L334 F338 F353 P355 R359 V361	L275-Y279 PolarHBondContact O-N 2.91Å; L275-Y279 VanDerWaalsContact O-N 3.09Å; M276-Y279 PolarHBondContact O-N 2.8Å; Y279-K281 VanDerWaalsContact C-N 3.3Å; Y279-K281 PolarHBondContact O-N 2.64Å; Y279-L282 PolarHBondContact O-N 3.42Å; Y279-A283 HydrophobicContact CD1-CB 4.5Å; Y279-A283 HydrophobicContact CE1-CB 4.11Å; Y279-A283 VanDerWaalsContact O-CB 3.29Å; Y279-A283 WeakPolarHBondContact O-CB 3.31Å; Y279-A283 PolarHBondContact O-N 2.96Å; Y279-L334 HydrophobicContact CD2-CD2 4.2Å; Y279-L334 HydrophobicContact CD2-CG 3.94Å; Y279-L334 HydrophobicContact CE2-CD1 4.42Å; Y279-L334 HydrophobicContact CE2-CD2 3.41Å; Y279-L334 VanDerWaalsContact CE2-CD2 3.41Å; Y279-L334 HydrophobicContact CE2-CG 3.65Å; Y279-F338 HydrophobicContact CD2-CB 3.88Å; Y279-F338 HydrophobicContact CD2-CD2 4.22Å; Y279-F338 HydrophobicContact CE2-CB 3.73Å; Y279-F338 AromaticContact CE2-CD2 3.83Å; Y279-F338 HydrophobicContact CE2-CD2 3.83Å; Y279-F338 HydrophobicContact CE2-CG 4.11Å; Y279-F353 AromaticContact CD1-CE1 3.54Å; Y279-F353 HydrophobicContact CD1-CE1 3.54Å; Y279-F353 AromaticContact CD1-CZ 3.83Å; Y279-F353 HydrophobicContact CD1-CZ 3.83Å; Y279-F353 HydrophobicContact CE1-CE1 4.06Å; Y279-F353 HydrophobicContact CE1-CZ 4.43Å; Y279-F353 AromaticContact CG-CE1 3.83Å; Y279-F353 HydrophobicContact CG-CE1 3.83Å; Y279-F353 HydrophobicContact CG-CZ 4.41Å; Y279-P355 HydrophobicContact CD1-CG 4.44Å; Y279-P355 HydrophobicContact CE1-CB 3.76Å; Y279-P355 HydrophobicContact CE1-CG 3.64Å; Y279-R359 PolarHBondContact OH-O 3.11Å; Y279-V361 HydrophobicContact CE2-CG2 4.06Å; Y279-V361 WeakPolarHBondContact OH-CG2 2.88Å; Y279-V361 PolarHBondContact OH-N 2.65Å
280	E	92.1	Very high	93	Very high	29 Å²	29	48.1 Å²	48.1	14%	0.136	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-37.8	-175	-82.7	-71.9	-173.1	0	0	112.5	M276 E277 S284 F353 S356 R359	M276-E280 WeakPolarHBondContact O-CB 3.36Å; M276-E280 WeakPolarHBondContact O-CG 3.44Å; M276-E280 PolarHBondContact O-N 2.9Å; E277-E280 PolarHBondContact O-N 3.22Å; E280-S284 WeakPolarHBondContact O-CB 3.46Å; E280-S284 PolarHBondContact O-N 3.09Å; E280-S284 PolarHBondContact O-OG 3.42Å; E280-F353 HydrophobicContact CG-CZ 4.17Å; E280-S356 VanDerWaalsContact OE1-CB 3.3Å; E280-S356 WeakPolarHBondContact OE1-CB 3.34Å; E280-S356 PolarHBondContact OE1-N 3.17Å; E280-S356 PolarHBondContact OE1-OG 2.66Å; E280-R359 WeakPolarHBondContact OE2-CD 3.44Å; E280-R359 IonicContact OE2-CZ 2.9Å; E280-R359 IonicContact OE2-NE 3.17Å; E280-R359 IonicContact OE2-NH1 2.65Å; E280-R359 PolarHBondContact OE2-NH1 3.2Å
281	K	94.5	Very high	93.4	Very high	137 Å²	137	53 Å²	53	60%	0.596	25%	0.247	S	C	*	.	H	α-helix	trans	-66.8	-51.2	174.1	-178	-178.2	174.9	-172.4	0	111.6	E277 Y279 A283 S284 D285	E277-K281 VanDerWaalsContact O-CB 3.27Å; E277-K281 WeakPolarHBondContact O-CB 3.21Å; E277-K281 PolarHBondContact O-N 3.38Å; Y279-K281 VanDerWaalsContact C-N 3.3Å; Y279-K281 PolarHBondContact O-N 2.64Å; K281-A283 VanDerWaalsContact C-N 3.3Å; K281-A283 PolarHBondContact O-N 2.96Å; K281-S284 WeakPolarHBondContact O-CB 3.31Å; K281-S284 PolarHBondContact O-N 3.35Å; K281-S284 VanDerWaalsContact O-N 3.11Å; K281-D285 PolarHBondContact O-N 2.79Å
282	L	94.4	Very high	93.8	Very high	31 Å²	31	56.7 Å²	56.7	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-38.9	-179.2	-169.5	62.2	0	0	0	111.5	D278 Y279 L286 E330 Q333 L334	D278-L282 VanDerWaalsContact O-CB 3.26Å; D278-L282 WeakPolarHBondContact O-CB 3.02Å; D278-L282 PolarHBondContact O-N 3.02Å; D278-L282 VanDerWaalsContact O-N 3.08Å; Y279-L282 PolarHBondContact O-N 3.42Å; L282-L286 VanDerWaalsContact O-CB 3.25Å; L282-L286 WeakPolarHBondContact O-CB 3.09Å; L282-L286 PolarHBondContact O-N 3.36Å; L282-E330 HydrophobicContact CD1-CB 3.98Å; L282-E330 HydrophobicContact CD1-CG 4.01Å; L282-Q333 HydrophobicContact CD2-CB 4.31Å; L282-Q333 HydrophobicContact CD2-CG 4.39Å; L282-L334 HydrophobicContact CB-CD1 4.34Å; L282-L334 HydrophobicContact CD2-CB 3.81Å; L282-L334 HydrophobicContact CG-CB 4.28Å; L282-L334 HydrophobicContact CG-CD1 4.23Å
283	A	94.4	Very high	94.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-45.3	172.7	0	0	0	0	0	111.8	Y279 K281 L287 L334 R359 I364	Y279-A283 HydrophobicContact CD1-CB 4.5Å; Y279-A283 HydrophobicContact CE1-CB 4.11Å; Y279-A283 VanDerWaalsContact O-CB 3.29Å; Y279-A283 WeakPolarHBondContact O-CB 3.31Å; Y279-A283 PolarHBondContact O-N 2.96Å; K281-A283 VanDerWaalsContact C-N 3.3Å; K281-A283 PolarHBondContact O-N 2.96Å; A283-L287 VanDerWaalsContact O-CB 3.25Å; A283-L287 WeakPolarHBondContact O-CB 3.48Å; A283-L287 WeakPolarHBondContact O-CD1 3.3Å; A283-L287 VanDerWaalsContact O-CG 3.23Å; A283-L287 WeakPolarHBondContact O-CG 3.48Å; A283-L287 PolarHBondContact O-N 2.88Å; A283-L334 VanDerWaalsContact CA-CD1 3.45Å; A283-L334 HydrophobicContact CB-CD1 3.78Å; A283-R359 HydrophobicContact CB-CB 4.22Å; A283-I364 HydrophobicContact CB-CD1 3.99Å
284	S	95	Very high	94.6	Very high	27 Å²	27	56.6 Å²	56.6	19%	0.189	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-51.1	179.1	-62	0	0	0	0	112	E280 K281 L286 L287 E288 R359	E280-S284 WeakPolarHBondContact O-CB 3.46Å; E280-S284 PolarHBondContact O-N 3.09Å; E280-S284 PolarHBondContact O-OG 3.42Å; K281-S284 WeakPolarHBondContact O-CB 3.31Å; K281-S284 PolarHBondContact O-N 3.35Å; K281-S284 VanDerWaalsContact O-N 3.11Å; S284-L286 PolarHBondContact O-N 3.22Å; S284-L287 PolarHBondContact O-N 3.16Å; S284-E288 WeakPolarHBondContact O-CB 3.41Å; S284-E288 PolarHBondContact O-N 3.41Å; S284-R359 PolarHBondContact OG-NH1 3.34Å; S284-R359 VanDerWaalsContact OG-NH1 3.1Å; S284-R359 PolarHBondContact OG-NH2 2.81Å; S284-R359 VanDerWaalsContact OG-NH2 3.17Å
285	D	95.9	Very high	94.9	Very high	78 Å²	78	55.6 Å²	55.6	42%	0.417	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-42.7	-177.8	-70.5	-15.1	0	0	0	111.1	K281 W289	K281-D285 PolarHBondContact O-N 2.79Å; D285-W289 WeakPolarHBondContact O-CB 3.35Å; D285-W289 PolarHBondContact O-N 3.38Å
286	L	96.3	Very high	95.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.9	-46.8	178.4	-175.1	63.1	0	0	0	112.1	L282 S284 W289 I290 K327 K331 I364 W368	L282-L286 VanDerWaalsContact O-CB 3.25Å; L282-L286 WeakPolarHBondContact O-CB 3.09Å; L282-L286 PolarHBondContact O-N 3.36Å; S284-L286 PolarHBondContact O-N 3.22Å; L286-W289 HydrophobicContact CD1-CE3 4.43Å; L286-W289 PolarHBondContact O-N 3.46Å; L286-I290 HydrophobicContact CG-CD1 4.27Å; L286-I290 WeakPolarHBondContact O-CG1 3.37Å; L286-I290 PolarHBondContact O-N 2.87Å; L286-K327 HydrophobicContact CD1-CB 4.13Å; L286-K327 HydrophobicContact CD1-CD 4.34Å; L286-K331 HydrophobicContact CD2-CB 3.88Å; L286-K331 HydrophobicContact CD2-CG 4.34Å; L286-I364 HydrophobicContact CD2-CG2 3.8Å; L286-W368 HydrophobicContact CD1-CZ3 4.11Å
287	L	95.7	Very high	95.3	Very high	11 Å²	11	56 Å²	56	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-67.9	-34.5	178.4	-72.2	168.2	0	0	0	112.3	A283 S284 R291 G358 R359 I364 A367	A283-L287 VanDerWaalsContact O-CB 3.25Å; A283-L287 WeakPolarHBondContact O-CB 3.48Å; A283-L287 WeakPolarHBondContact O-CD1 3.3Å; A283-L287 VanDerWaalsContact O-CG 3.23Å; A283-L287 WeakPolarHBondContact O-CG 3.48Å; A283-L287 PolarHBondContact O-N 2.88Å; S284-L287 PolarHBondContact O-N 3.16Å; L287-R291 WeakPolarHBondContact O-CB 3.42Å; L287-R291 VanDerWaalsContact O-CG 3.31Å; L287-R291 WeakPolarHBondContact O-CG 3.38Å; L287-R291 PolarHBondContact O-N 3.13Å; L287-R291 VanDerWaalsContact O-N 3.1Å; L287-R291 PolarHBondContact O-NE 2.92Å; L287-G358 WeakPolarHBondContact CD1-O 3.42Å; L287-R359 HydrophobicContact CD1-CB 4.43Å; L287-R359 HydrophobicContact CD1-CG 4.1Å; L287-I364 HydrophobicContact CD1-CG1 4Å; L287-I364 HydrophobicContact CD2-CG1 3.96Å; L287-I364 HydrophobicContact CG-CG1 4Å; L287-A367 HydrophobicContact CD2-CB 4.01Å
288	E	96	Very high	95.5	Very high	86 Å²	86	55.8 Å²	55.8	40%	0.402	26%	0.255	S	S	.	.	H	α-helix	trans	-64.6	-44.1	170.2	178.8	162.6	-149.4	0	0	111.6	S284 R291 R292	S284-E288 WeakPolarHBondContact O-CB 3.41Å; S284-E288 PolarHBondContact O-N 3.41Å; E288-R291 PolarHBondContact O-N 3.01Å; E288-R292 HydrophobicContact CG-CG 4.39Å; E288-R292 WeakPolarHBondContact O-CG 3.48Å; E288-R292 PolarHBondContact O-N 2.72Å; E288-R292 IonicContact OE1-CZ 2.64Å; E288-R292 IonicContact OE1-NE 3.15Å; E288-R292 PolarHBondContact OE1-NE 3.46Å; E288-R292 IonicContact OE1-NH2 3.5Å; E288-R292 PolarHBondContact OE1-NH2 3.39Å; E288-R292 IonicContact OE2-NH2 2.69Å
289	W	97.3	Very high	95.5	Very high	46 Å²	46	56.7 Å²	56.7	17%	0.174	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-48.1	176.1	179.7	82.8	0	0	0	112	D285 L286 R291 R292 T293 Y319 K324 K327 W368 L371	D285-W289 WeakPolarHBondContact O-CB 3.35Å; D285-W289 PolarHBondContact O-N 3.38Å; L286-W289 HydrophobicContact CD1-CE3 4.43Å; L286-W289 PolarHBondContact O-N 3.46Å; W289-R291 PolarHBondContact O-N 2.74Å; W289-R292 PolarHBondContact O-N 3.34Å; W289-R292 VanDerWaalsContact O-N 3.15Å; W289-T293 HydrophobicContact CZ2-CG2 4.49Å; W289-T293 WeakPolarHBondContact O-CB 3.5Å; W289-T293 PolarHBondContact O-N 3.35Å; W289-T293 PolarHBondContact O-OG1 3Å; W289-Y319 HydrophobicContact CH2-CE2 4.06Å; W289-Y319 WeakPolarHBondContact CH2-OH 3.43Å; W289-Y319 AromaticContact CZ2-CE2 3.65Å; W289-Y319 HydrophobicContact CZ2-CE2 3.65Å; W289-K324 HydrophobicContact CH2-CG 4.44Å; W289-K327 HydrophobicContact CD2-CD 4.36Å; W289-K327 HydrophobicContact CD2-CG 3.79Å; W289-K327 HydrophobicContact CE3-CB 4.13Å; W289-K327 HydrophobicContact CE3-CG 3.89Å; W289-K327 HydrophobicContact CG-CG 4.42Å; W289-K327 HydrophobicContact CH2-CB 4.01Å; W289-K327 HydrophobicContact CH2-CG 3.95Å; W289-K327 HydrophobicContact CZ2-CB 4.38Å; W289-K327 HydrophobicContact CZ2-CG 3.83Å; W289-K327 HydrophobicContact CZ3-CB 3.87Å; W289-K327 HydrophobicContact CZ3-CG 3.98Å; W289-W368 HydrophobicContact CZ3-CH2 4.37Å; W289-W368 AromaticContact CZ3-CZ3 3.92Å; W289-W368 HydrophobicContact CZ3-CZ3 3.92Å; W289-L371 HydrophobicContact CE3-CD2 4.48Å; W289-L371 HydrophobicContact CH2-CD2 3.91Å; W289-L371 HydrophobicContact CZ3-CD2 3.48Å; W289-L371 VanDerWaalsContact CZ3-CD2 3.48Å
290	I	97.2	Very high	95.5	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-56.4	-48.6	176.1	-65.3	166.4	0	0	0	110.8	L286 R292 T293 I294 A367 W368 L371	L286-I290 HydrophobicContact CG-CD1 4.27Å; L286-I290 WeakPolarHBondContact O-CG1 3.37Å; L286-I290 PolarHBondContact O-N 2.87Å; I290-R292 VanDerWaalsContact C-N 3.26Å; I290-R292 PolarHBondContact O-N 3.48Å; I290-T293 PolarHBondContact O-N 2.9Å; I290-T293 VanDerWaalsContact O-N 3.16Å; I290-I294 HydrophobicContact CG2-CD1 3.61Å; I290-I294 HydrophobicContact CG2-CG1 4.21Å; I290-I294 WeakPolarHBondContact O-CG1 3.32Å; I290-I294 PolarHBondContact O-N 3.34Å; I290-A367 HydrophobicContact CD1-CB 4.11Å; I290-A367 HydrophobicContact CG2-CB 4.21Å; I290-W368 HydrophobicContact CD1-CE3 4.11Å; I290-W368 HydrophobicContact CG1-CE3 4.48Å; I290-L371 HydrophobicContact CG1-CD2 4.36Å; I290-L371 HydrophobicContact CG2-CB 4.36Å
291	R	96.4	Very high	95.6	Very high	159 Å²	159	64.7 Å²	64.7	60%	0.6	30%	0.298	S	S	*	.	H	α-helix	trans	-62.2	-28.6	179.7	-77.6	176.8	-70.1	-146.1	1.9	113.8	L287 E288 W289 P295	L287-R291 WeakPolarHBondContact O-CB 3.42Å; L287-R291 VanDerWaalsContact O-CG 3.31Å; L287-R291 WeakPolarHBondContact O-CG 3.38Å; L287-R291 PolarHBondContact O-N 3.13Å; L287-R291 VanDerWaalsContact O-N 3.1Å; L287-R291 PolarHBondContact O-NE 2.92Å; E288-R291 PolarHBondContact O-N 3.01Å; W289-R291 PolarHBondContact O-N 2.74Å; R291-P295 VanDerWaalsContact O-CD 3.23Å; R291-P295 WeakPolarHBondContact O-CD 3.45Å
292	R	96.6	Very high	95.4	Very high	175 Å²	175	61.3 Å²	61.3	66%	0.66	29%	0.29	S	S	*	.	H	α-helix	trans	-82.8	-32.1	175	-70	175	178.6	-152.1	6.4	112.7	E288 W289 I290	E288-R292 HydrophobicContact CG-CG 4.39Å; E288-R292 WeakPolarHBondContact O-CG 3.48Å; E288-R292 PolarHBondContact O-N 2.72Å; E288-R292 IonicContact OE1-CZ 2.64Å; E288-R292 IonicContact OE1-NE 3.15Å; E288-R292 PolarHBondContact OE1-NE 3.46Å; E288-R292 IonicContact OE1-NH2 3.5Å; E288-R292 PolarHBondContact OE1-NH2 3.39Å; E288-R292 IonicContact OE2-NH2 2.69Å; W289-R292 PolarHBondContact O-N 3.34Å; W289-R292 VanDerWaalsContact O-N 3.15Å; I290-R292 VanDerWaalsContact C-N 3.26Å; I290-R292 PolarHBondContact O-N 3.48Å
293	T	97	Very high	95.2	Very high	13 Å²	13	63 Å²	63	8%	0.08	30%	0.297	C	S	.	.	H	α-helix	trans	-80.6	-38.7	-175.6	-58.8	0	0	0	0	112.8	W289 I290 W296 L297 Y319 L371	W289-T293 HydrophobicContact CZ2-CG2 4.49Å; W289-T293 WeakPolarHBondContact O-CB 3.5Å; W289-T293 PolarHBondContact O-N 3.35Å; W289-T293 PolarHBondContact O-OG1 3Å; I290-T293 PolarHBondContact O-N 2.9Å; I290-T293 VanDerWaalsContact O-N 3.16Å; T293-W296 HydrophobicContact CG2-CE3 4.39Å; T293-W296 WeakPolarHBondContact O-CB 3.45Å; T293-W296 PolarHBondContact O-N 3.31Å; T293-W296 VanDerWaalsContact O-N 3.11Å; T293-L297 HydrophobicContact CG2-CD1 3.92Å; T293-L297 HydrophobicContact CG2-CG 4.34Å; T293-L297 PolarHBondContact O-N 3.23Å; T293-Y319 HydrophobicContact CG2-CE2 3.61Å; T293-L371 HydrophobicContact CG2-CD1 3.86Å
294	I	97	Very high	94.8	Very high	32 Å²	32	68.4 Å²	68.4	16%	0.164	33%	0.326	C	S	.	.	H	α-helix	trans	-54.2	-51.1	-179.4	-72.8	171.1	0	0	0	112.4	I290 W296 L297 E298 C370 L371 V374	I290-I294 HydrophobicContact CG2-CD1 3.61Å; I290-I294 HydrophobicContact CG2-CG1 4.21Å; I290-I294 WeakPolarHBondContact O-CG1 3.32Å; I290-I294 PolarHBondContact O-N 3.34Å; I294-W296 PolarHBondContact O-N 2.9Å; I294-W296 VanDerWaalsContact O-N 3.15Å; I294-L297 PolarHBondContact O-N 3.02Å; I294-L297 VanDerWaalsContact O-N 3.09Å; I294-E298 HydrophobicContact CG2-CG 4.07Å; I294-E298 WeakPolarHBondContact O-CG 3.48Å; I294-E298 PolarHBondContact O-N 3.32Å; I294-C370 HydrophobicContact CD1-CB 4.45Å; I294-L371 HydrophobicContact CG1-CB 4.45Å; I294-L371 HydrophobicContact CG1-CD1 4Å; I294-V374 HydrophobicContact CG2-CG2 4.43Å
295	P	96.6	Very high	94.6	Very high	74 Å²	74	70.6 Å²	70.6	48%	0.481	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-24.8	179.9	-25.3	35.7	0	0	0	114.8	R291 N299	R291-P295 VanDerWaalsContact O-CD 3.23Å; R291-P295 WeakPolarHBondContact O-CD 3.45Å; P295-N299 PolarHBondContact O-N 3.28Å
296	W	96	Very high	94.2	Very high	91 Å²	91	69.2 Å²	69.2	35%	0.345	33%	0.329	S	S	.	.	H	α-helix	trans	-74	-41.5	174.8	170.8	71.2	0	0	0	111.4	T293 I294 N299 F316 Y319	T293-W296 HydrophobicContact CG2-CE3 4.39Å; T293-W296 WeakPolarHBondContact O-CB 3.45Å; T293-W296 PolarHBondContact O-N 3.31Å; T293-W296 VanDerWaalsContact O-N 3.11Å; I294-W296 PolarHBondContact O-N 2.9Å; I294-W296 VanDerWaalsContact O-N 3.15Å; W296-N299 WeakPolarHBondContact O-CB 3.4Å; W296-N299 PolarHBondContact O-N 2.78Å; W296-F316 HydrophobicContact CH2-CD2 4.3Å; W296-Y319 HydrophobicContact CH2-CD1 4.41Å; W296-Y319 HydrophobicContact CH2-CD2 4.44Å; W296-Y319 AromaticContact CH2-CG 3.95Å; W296-Y319 HydrophobicContact CH2-CG 3.95Å; W296-Y319 AromaticContact CZ3-CD1 3.99Å; W296-Y319 HydrophobicContact CZ3-CD1 3.99Å; W296-Y319 AromaticContact CZ3-CD2 3.82Å; W296-Y319 HydrophobicContact CZ3-CD2 3.82Å; W296-Y319 HydrophobicContact CZ3-CE2 4.35Å; W296-Y319 AromaticContact CZ3-CG 3.64Å; W296-Y319 HydrophobicContact CZ3-CG 3.64Å
297	L	95.5	Very high	93.9	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-75.2	-23.3	175.4	-62.4	168.9	0	0	0	113.2	T293 I294 N299 F316 L371 V374 E375 Y378	T293-L297 HydrophobicContact CG2-CD1 3.92Å; T293-L297 HydrophobicContact CG2-CG 4.34Å; T293-L297 PolarHBondContact O-N 3.23Å; I294-L297 PolarHBondContact O-N 3.02Å; I294-L297 VanDerWaalsContact O-N 3.09Å; L297-N299 VanDerWaalsContact C-N 3.3Å; L297-F316 HydrophobicContact CD2-CD2 3.9Å; L297-F316 HydrophobicContact CD2-CE2 3.71Å; L297-L371 HydrophobicContact CD1-CD1 3.63Å; L297-V374 HydrophobicContact CB-CG1 3.49Å; L297-V374 VanDerWaalsContact CB-CG1 3.49Å; L297-E375 HydrophobicContact CD1-CB 4.47Å; L297-E375 HydrophobicContact CD1-CG 3.54Å; L297-Y378 HydrophobicContact CB-CG 4.48Å; L297-Y378 HydrophobicContact CD2-CD1 3.72Å; L297-Y378 HydrophobicContact CD2-CE1 4.27Å; L297-Y378 HydrophobicContact CD2-CG 4.09Å; L297-Y378 WeakPolarHBondContact O-CD2 3.46Å
298	E	95.2	Very high	93.8	Very high	115 Å²	115	76.3 Å²	76.3	54%	0.537	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-15	171	-70.4	-174	149.6	0	0	112.9	I294 R300 V374	I294-E298 HydrophobicContact CG2-CG 4.07Å; I294-E298 WeakPolarHBondContact O-CG 3.48Å; I294-E298 PolarHBondContact O-N 3.32Å; E298-R300 VanDerWaalsContact C-N 3.32Å; E298-R300 PolarHBondContact O-N 3.35Å; E298-V374 HydrophobicContact CG-CG1 3.64Å; E298-V374 HydrophobicContact CG-CG2 4.34Å
299	N	93.6	Very high	93.7	Very high	85 Å²	85	72.2 Å²	72.2	46%	0.455	35%	0.347	S	S	.	.			trans	-76.5	75.3	-177	-174.2	20.1	0	0	0	113	P295 W296 L297 V301	P295-N299 PolarHBondContact O-N 3.28Å; W296-N299 WeakPolarHBondContact O-CB 3.4Å; W296-N299 PolarHBondContact O-N 2.78Å; L297-N299 VanDerWaalsContact C-N 3.3Å; N299-V301 VanDerWaalsContact C-N 3.27Å; N299-V301 PolarHBondContact O-N 3.11Å; N299-V301 VanDerWaalsContact O-N 3.11Å; N299-V301 VanDerWaalsContact OD1-CG2 3.3Å; N299-V301 WeakPolarHBondContact OD1-CG2 3.45Å
300	R	93.5	Very high	93.4	Very high	118 Å²	118	73.3 Å²	73.3	45%	0.445	35%	0.354	S	S	.	.			trans	-86.3	48.6	-177.3	-62.1	178.9	-168	180	4.1	113.4	E298 P302 Y378 W381	E298-R300 VanDerWaalsContact C-N 3.32Å; E298-R300 PolarHBondContact O-N 3.35Å; R300-P302 WeakPolarHBondContact O-CD 3.45Å; R300-Y378 HydrophobicContact CG-CD2 4.4Å; R300-W381 HydrophobicContact CB-CD2 3.8Å; R300-W381 HydrophobicContact CB-CE3 4.26Å; R300-W381 HydrophobicContact CB-CG 4.15Å; R300-W381 HydrophobicContact CB-CZ2 4.07Å; R300-W381 HydrophobicContact CG-CB 4.49Å; R300-W381 HydrophobicContact CG-CD2 3.81Å; R300-W381 HydrophobicContact CG-CE3 4.05Å; R300-W381 HydrophobicContact CG-CG 3.98Å; R300-W381 WeakPolarHBondContact O-CZ2 3.42Å
301	V	92.6	Very high	93.2	Very high	79 Å²	79	78.9 Å²	78.9	48%	0.479	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-81.1	116.4	174.7	172.9	0	0	0	0	109.7	N299 K312 W381	N299-V301 VanDerWaalsContact C-N 3.27Å; N299-V301 PolarHBondContact O-N 3.11Å; N299-V301 VanDerWaalsContact O-N 3.11Å; N299-V301 VanDerWaalsContact OD1-CG2 3.3Å; N299-V301 WeakPolarHBondContact OD1-CG2 3.45Å; V301-K312 PolarHBondContact O-NZ 3.12Å; V301-W381 WeakPolarHBondContact O-CH2 3.15Å
302	P	90.7	Very high	93.1	Very high	66 Å²	66	73 Å²	73	43%	0.429	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-71	150	179.4	30.1	-35	0	0	0	111.5	R300 E385	R300-P302 WeakPolarHBondContact O-CD 3.45Å; P302-E385 HydrophobicContact CB-CG 4.21Å; P302-E385 WeakPolarHBondContact CB-OE1 3.27Å
303	E	91.6	Very high	92.9	Very high	67 Å²	67	65 Å²	65	31%	0.313	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-102.6	151.5	172.4	-61.3	-62.9	152.2	0	0	110.9	T305 A308 M309 K312	E303-T305 PolarHBondContact O-N 2.93Å; E303-A308 HydrophobicContact CB-CB 3.64Å; E303-A308 HydrophobicContact CG-CB 3.84Å; E303-M309 HydrophobicContact CB-CG 4Å; E303-M309 HydrophobicContact CB-SD 3.79Å; E303-M309 HydrophobicContact CG-SD 3.85Å; E303-M309 PolarHBondContact N-SD 3.13Å; E303-M309 VanDerWaalsContact N-SD 3.43Å; E303-K312 HydrophobicContact CG-CD 4.28Å; E303-K312 WeakPolarHBondContact OE1-CE 3.35Å; E303-K312 IonicContact OE1-NZ 3.96Å; E303-K312 PolarHBondContact OE1-NZ 3.06Å
304	N	85.6	Confident	92.6	Very high	113 Å²	113	67.3 Å²	67.3	60%	0.604	34%	0.339	S	S	*	.	S	Bend	trans	-72.6	-6.4	-176.4	-64.8	-38.1	0	0	0	114.9
305	T	89.5	Confident	92.5	Very high	72 Å²	72	69.7 Å²	69.7	44%	0.442	35%	0.352	S	S	.	.	S	Bend	trans	-138.3	143.2	-173.9	68.4	0	0	0	0	111.5	E303 H307 A308 M309	E303-T305 PolarHBondContact O-N 2.93Å; T305-H307 PolarHBondContact O-N 3Å; T305-A308 PolarHBondContact O-N 3.34Å; T305-A308 WeakPolarHBondContact OG1-CB 3.22Å; T305-A308 PolarHBondContact OG1-N 2.97Å; T305-M309 PolarHBondContact O-N 3.43Å
306	M	88.7	Confident	92.3	Very high	49 Å²	49	66.3 Å²	66.3	24%	0.241	33%	0.33	C	S	.	.	H	α-helix	trans	-55.3	-38.7	176.9	-173.7	179.9	63.9	0	0	111.8	A308 M309 Q310 I386 L389 E390 L699	M306-A308 PolarHBondContact O-N 3.31Å; M306-M309 PolarHBondContact O-N 2.91Å; M306-Q310 HydrophobicContact CG-CG 4.43Å; M306-Q310 VanDerWaalsContact O-CG 3.32Å; M306-Q310 WeakPolarHBondContact O-CG 3.41Å; M306-Q310 PolarHBondContact O-N 3.3Å; M306-I386 HydrophobicContact CG-CG2 4.23Å; M306-L389 HydrophobicContact CB-CB 4.21Å; M306-E390 HydrophobicContact SD-CB 4.39Å; M306-L699 HydrophobicContact SD-CD1 4.23Å
307	H	89.9	Confident	92.1	Very high	136 Å²	136	62.9 Å²	62.9	63%	0.63	32%	0.317	S	S	*	.	H	α-helix	trans	-63.5	-41.5	-180	-174.3	53.7	0	0	0	113.4	T305 M309 Q310 Q311	T305-H307 PolarHBondContact O-N 3Å; H307-M309 VanDerWaalsContact C-N 3.35Å; H307-Q310 WeakPolarHBondContact O-CB 3.4Å; H307-Q310 PolarHBondContact O-N 3.37Å; H307-Q311 PolarHBondContact O-N 2.87Å
308	A	93.3	Very high	91.9	Very high	25 Å²	25	66 Å²	66	21%	0.207	33%	0.334	C	S	.	.	H	α-helix	trans	-68.2	-34.8	177.1	0	0	0	0	0	112.1	E303 T305 M306 Q311 K312	E303-A308 HydrophobicContact CB-CB 3.64Å; E303-A308 HydrophobicContact CG-CB 3.84Å; T305-A308 PolarHBondContact O-N 3.34Å; T305-A308 WeakPolarHBondContact OG1-CB 3.22Å; T305-A308 PolarHBondContact OG1-N 2.97Å; M306-A308 PolarHBondContact O-N 3.31Å; A308-Q311 PolarHBondContact O-N 3.37Å; A308-K312 PolarHBondContact O-N 3.28Å
309	M	93.8	Very high	91.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-69.7	-36.5	172	-70.7	-56.2	-58.8	0	0	112.8	E303 T305 M306 H307 Q311 K312 L313 W381 L382 E385 I386 L389	E303-M309 HydrophobicContact CB-CG 4Å; E303-M309 HydrophobicContact CB-SD 3.79Å; E303-M309 HydrophobicContact CG-SD 3.85Å; E303-M309 PolarHBondContact N-SD 3.13Å; E303-M309 VanDerWaalsContact N-SD 3.43Å; T305-M309 PolarHBondContact O-N 3.43Å; M306-M309 PolarHBondContact O-N 2.91Å; H307-M309 VanDerWaalsContact C-N 3.35Å; M309-Q311 VanDerWaalsContact C-N 3.29Å; M309-Q311 PolarHBondContact O-N 2.97Å; M309-K312 PolarHBondContact O-N 3.41Å; M309-K312 HydrophobicContact SD-CD 4.28Å; M309-L313 PolarHBondContact O-N 3.28Å; M309-W381 HydrophobicContact CE-CH2 3.78Å; M309-W381 HydrophobicContact CE-CZ2 4.12Å; M309-W381 HydrophobicContact CE-CZ3 4.11Å; M309-W381 HydrophobicContact SD-CH2 4.42Å; M309-L382 HydrophobicContact CE-CD2 3.62Å; M309-E385 HydrophobicContact CE-CB 3.88Å; M309-E385 HydrophobicContact CE-CG 3.66Å; M309-E385 HydrophobicContact CG-CG 4.15Å; M309-E385 HydrophobicContact SD-CG 4.04Å; M309-I386 HydrophobicContact CB-CD1 4.4Å; M309-I386 HydrophobicContact CB-CG1 3.68Å; M309-L389 HydrophobicContact CB-CD1 4.14Å; M309-L389 HydrophobicContact CG-CD1 3.43Å; M309-L389 VanDerWaalsContact CG-CD1 3.43Å
310	Q	91.2	Very high	91.7	Very high	69 Å²	69	58.1 Å²	58.1	32%	0.322	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-37.3	171.5	-74.8	170.7	-19.4	0	0	111.8	M306 H307 L313 E314	M306-Q310 HydrophobicContact CG-CG 4.43Å; M306-Q310 VanDerWaalsContact O-CG 3.32Å; M306-Q310 WeakPolarHBondContact O-CG 3.41Å; M306-Q310 PolarHBondContact O-N 3.3Å; H307-Q310 WeakPolarHBondContact O-CB 3.4Å; H307-Q310 PolarHBondContact O-N 3.37Å; Q310-L313 WeakPolarHBondContact O-CB 3.43Å; Q310-L313 PolarHBondContact O-N 3.15Å; Q310-E314 PolarHBondContact O-N 3.3Å
311	Q	92.7	Very high	91.3	Very high	119 Å²	119	57.8 Å²	57.8	56%	0.556	29%	0.291	S	S	*	.	H	α-helix	trans	-62.8	-45	174	-172.5	176.5	-5.5	0	0	111.9	H307 A308 M309 L313 E314 D315	H307-Q311 PolarHBondContact O-N 2.87Å; A308-Q311 PolarHBondContact O-N 3.37Å; M309-Q311 VanDerWaalsContact C-N 3.29Å; M309-Q311 PolarHBondContact O-N 2.97Å; Q311-L313 PolarHBondContact O-N 3.35Å; Q311-E314 PolarHBondContact O-N 2.96Å; Q311-D315 PolarHBondContact O-N 3.47Å
312	K	94.1	Very high	91.1	Very high	35 Å²	35	58.9 Å²	58.9	15%	0.152	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-31.5	174.2	-69.2	-173	-178.2	177.8	0	113	V301 E303 A308 M309 F316 L382	V301-K312 PolarHBondContact O-NZ 3.12Å; E303-K312 HydrophobicContact CG-CD 4.28Å; E303-K312 WeakPolarHBondContact OE1-CE 3.35Å; E303-K312 IonicContact OE1-NZ 3.96Å; E303-K312 PolarHBondContact OE1-NZ 3.06Å; A308-K312 PolarHBondContact O-N 3.28Å; M309-K312 PolarHBondContact O-N 3.41Å; M309-K312 HydrophobicContact SD-CD 4.28Å; K312-F316 PolarHBondContact O-N 3.18Å; K312-F316 VanDerWaalsContact O-N 3.11Å; K312-L382 HydrophobicContact CB-CD2 3.84Å
313	L	92.4	Very high	91.2	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-69.4	-37.1	173.8	-176.8	64.4	0	0	0	111.9	M309 Q310 Q311 F316 R317 L382 L383 I386	M309-L313 PolarHBondContact O-N 3.28Å; Q310-L313 WeakPolarHBondContact O-CB 3.43Å; Q310-L313 PolarHBondContact O-N 3.15Å; Q311-L313 PolarHBondContact O-N 3.35Å; L313-F316 PolarHBondContact O-N 3.46Å; L313-R317 WeakPolarHBondContact O-CD 3.36Å; L313-R317 VanDerWaalsContact O-CG 3.27Å; L313-R317 WeakPolarHBondContact O-CG 3.38Å; L313-R317 PolarHBondContact O-N 3.46Å; L313-L382 HydrophobicContact CD1-CB 4.48Å; L313-L382 HydrophobicContact CD1-CD1 3.97Å; L313-L383 HydrophobicContact CD1-CD2 4.27Å; L313-L383 HydrophobicContact CD2-CD2 4.15Å; L313-I386 HydrophobicContact CB-CD1 4.34Å; L313-I386 HydrophobicContact CD2-CD1 3.98Å
314	E	91.4	Very high	91.2	Very high	61 Å²	61	58.1 Å²	58.1	29%	0.285	28%	0.284	S	S	.	.	H	α-helix	trans	-69.4	-40.5	174.2	-157.1	65.1	-165.6	0	0	112	Q310 Q311 F316 R317 D318 Q693	Q310-E314 PolarHBondContact O-N 3.3Å; Q311-E314 PolarHBondContact O-N 2.96Å; E314-F316 PolarHBondContact O-N 2.98Å; E314-R317 WeakPolarHBondContact O-CB 3.26Å; E314-R317 PolarHBondContact O-N 3.41Å; E314-R317 WeakPolarHBondContact OE2-CD 3.48Å; E314-R317 IonicContact OE2-CZ 3.93Å; E314-R317 IonicContact OE2-NE 3.7Å; E314-R317 IonicContact OE2-NH1 2.63Å; E314-R317 PolarHBondContact OE2-NH1 3.29Å; E314-D318 PolarHBondContact O-N 3.01Å; E314-Q693 PolarHBondContact OE1-NE2 3.34Å; E314-Q693 PolarHBondContact OE2-NE2 2.93Å
315	D	93.7	Very high	91.4	Very high	81 Å²	81	55.4 Å²	55.4	43%	0.433	27%	0.273	S	S	.	.	H	α-helix	trans	-57	-39.1	171.8	-64	-29.7	0	0	0	111.4	Q311 Y319	Q311-D315 PolarHBondContact O-N 3.47Å; D315-Y319 WeakPolarHBondContact O-CB 3.44Å; D315-Y319 PolarHBondContact O-N 3.13Å
316	F	94.4	Very high	91.5	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.013	27%	0.273	C	S	.	.	H	α-helix	trans	-70.7	-35.1	175.1	-176	-109.4	0	0	0	113.3	W296 L297 K312 L313 E314 Y319 R320 Y378 E379 L382	W296-F316 HydrophobicContact CH2-CD2 4.3Å; L297-F316 HydrophobicContact CD2-CD2 3.9Å; L297-F316 HydrophobicContact CD2-CE2 3.71Å; K312-F316 PolarHBondContact O-N 3.18Å; K312-F316 VanDerWaalsContact O-N 3.11Å; L313-F316 PolarHBondContact O-N 3.46Å; E314-F316 PolarHBondContact O-N 2.98Å; F316-Y319 HydrophobicContact CD2-CD1 4.02Å; F316-Y319 AromaticContact CE2-CD1 3.99Å; F316-Y319 HydrophobicContact CE2-CD1 3.99Å; F316-Y319 HydrophobicContact CE2-CE1 4.31Å; F316-Y319 WeakPolarHBondContact O-CB 3.43Å; F316-Y319 PolarHBondContact O-N 3.37Å; F316-R320 HydrophobicContact CD1-CG 4.38Å; F316-R320 HydrophobicContact CE1-CG 3.96Å; F316-R320 HydrophobicContact CE2-CG 4.19Å; F316-R320 HydrophobicContact CZ-CG 3.87Å; F316-R320 WeakPolarHBondContact O-CG 3.32Å; F316-R320 PolarHBondContact O-N 3.48Å; F316-Y378 HydrophobicContact CB-CE1 4.16Å; F316-Y378 AromaticContact CD2-CD1 3.58Å; F316-Y378 HydrophobicContact CD2-CD1 3.58Å; F316-Y378 AromaticContact CD2-CE1 3.87Å; F316-Y378 HydrophobicContact CD2-CE1 3.87Å; F316-Y378 AromaticContact CE2-CD1 3.9Å; F316-Y378 HydrophobicContact CE2-CD1 3.9Å; F316-Y378 HydrophobicContact CG-CD1 4.09Å; F316-Y378 HydrophobicContact CG-CE1 4.17Å; F316-E379 HydrophobicContact CE1-CB 3.71Å; F316-E379 HydrophobicContact CE1-CG 3.89Å; F316-E379 HydrophobicContact CZ-CB 4.07Å; F316-L382 HydrophobicContact CB-CD1 4.02Å; F316-L382 HydrophobicContact CD1-CD1 4.36Å; F316-L382 HydrophobicContact CG-CD1 4.23Å
317	R	89.9	Confident	91.7	Very high	20 Å²	20	54.6 Å²	54.6	8%	0.075	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-44.1	173.6	-72.9	158.6	171.7	-170.7	-6.1	111.3	L313 E314 Y319 R320 R321 Q693 Q696 E697	L313-R317 WeakPolarHBondContact O-CD 3.36Å; L313-R317 VanDerWaalsContact O-CG 3.27Å; L313-R317 WeakPolarHBondContact O-CG 3.38Å; L313-R317 PolarHBondContact O-N 3.46Å; E314-R317 WeakPolarHBondContact O-CB 3.26Å; E314-R317 PolarHBondContact O-N 3.41Å; E314-R317 WeakPolarHBondContact OE2-CD 3.48Å; E314-R317 IonicContact OE2-CZ 3.93Å; E314-R317 IonicContact OE2-NE 3.7Å; E314-R317 IonicContact OE2-NH1 2.63Å; E314-R317 PolarHBondContact OE2-NH1 3.29Å; R317-Y319 VanDerWaalsContact C-N 3.35Å; R317-R320 PolarHBondContact O-N 3.5Å; R317-R321 WeakPolarHBondContact O-CB 3.44Å; R317-R321 PolarHBondContact O-N 3.26Å; R317-Q693 VanDerWaalsContact NH1-NE2 3.13Å; R317-Q693 PolarHBondContact NH2-O 2.97Å; R317-Q696 VanDerWaalsContact NH2-CB 3.34Å; R317-E697 IonicContact CZ-OE1 2.94Å; R317-E697 IonicContact NH1-OE1 2.82Å; R317-E697 PolarHBondContact NH1-OE1 3.09Å; R317-E697 IonicContact NH2-OE1 3.43Å
318	D	91.4	Very high	91.8	Very high	65 Å²	65	48.8 Å²	48.8	35%	0.348	24%	0.243	S	C	.	.	H	α-helix	trans	-63.7	-40.6	175.3	-87.7	-10.3	0	0	0	111.6	E314 R320 R321 L322	E314-D318 PolarHBondContact O-N 3.01Å; D318-R320 PolarHBondContact O-N 3.43Å; D318-R321 PolarHBondContact O-N 3.42Å; D318-L322 WeakPolarHBondContact O-CB 3.05Å; D318-L322 PolarHBondContact O-N 2.89Å
319	Y	94.7	Very high	91.6	Very high	13 Å²	13	52.5 Å²	52.5	5%	0.051	26%	0.256	C	S	.	.	I	π-helix	trans	-53.5	-52.6	169.5	167.1	-101.5	0	0	0	112.2	W289 T293 W296 D315 F316 R317 R321 H323 K324 E375	W289-Y319 HydrophobicContact CH2-CE2 4.06Å; W289-Y319 WeakPolarHBondContact CH2-OH 3.43Å; W289-Y319 AromaticContact CZ2-CE2 3.65Å; W289-Y319 HydrophobicContact CZ2-CE2 3.65Å; T293-Y319 HydrophobicContact CG2-CE2 3.61Å; W296-Y319 HydrophobicContact CH2-CD1 4.41Å; W296-Y319 HydrophobicContact CH2-CD2 4.44Å; W296-Y319 AromaticContact CH2-CG 3.95Å; W296-Y319 HydrophobicContact CH2-CG 3.95Å; W296-Y319 AromaticContact CZ3-CD1 3.99Å; W296-Y319 HydrophobicContact CZ3-CD1 3.99Å; W296-Y319 AromaticContact CZ3-CD2 3.82Å; W296-Y319 HydrophobicContact CZ3-CD2 3.82Å; W296-Y319 HydrophobicContact CZ3-CE2 4.35Å; W296-Y319 AromaticContact CZ3-CG 3.64Å; W296-Y319 HydrophobicContact CZ3-CG 3.64Å; D315-Y319 WeakPolarHBondContact O-CB 3.44Å; D315-Y319 PolarHBondContact O-N 3.13Å; F316-Y319 HydrophobicContact CD2-CD1 4.02Å; F316-Y319 AromaticContact CE2-CD1 3.99Å; F316-Y319 HydrophobicContact CE2-CD1 3.99Å; F316-Y319 HydrophobicContact CE2-CE1 4.31Å; F316-Y319 WeakPolarHBondContact O-CB 3.43Å; F316-Y319 PolarHBondContact O-N 3.37Å; R317-Y319 VanDerWaalsContact C-N 3.35Å; Y319-R321 PolarHBondContact O-N 3.3Å; Y319-H323 HydrophobicContact CD2-CB 4.13Å; Y319-H323 WeakPolarHBondContact O-CA 3.49Å; Y319-H323 WeakPolarHBondContact O-CB 3.3Å; Y319-H323 PolarHBondContact O-N 2.92Å; Y319-K324 HydrophobicContact CE1-CB 4.4Å; Y319-K324 PolarHBondContact O-N 2.94Å; Y319-E375 HydrophobicContact CE1-CG 4.13Å; Y319-E375 VanDerWaalsContact CE1-OE1 3.3Å; Y319-E375 WeakPolarHBondContact CE1-OE1 3.41Å; Y319-E375 PolarHBondContact OH-OE1 2.88Å
320	R	90.4	Very high	91.6	Very high	22 Å²	22	54.8 Å²	54.8	8%	0.083	27%	0.267	C	S	.	.	I	π-helix	trans	-69.1	-31.3	-178.9	-67	-81.8	-97.2	179.3	-3	113.2	F316 R317 D318 P325 E375 E379 E711	F316-R320 HydrophobicContact CD1-CG 4.38Å; F316-R320 HydrophobicContact CE1-CG 3.96Å; F316-R320 HydrophobicContact CE2-CG 4.19Å; F316-R320 HydrophobicContact CZ-CG 3.87Å; F316-R320 WeakPolarHBondContact O-CG 3.32Å; F316-R320 PolarHBondContact O-N 3.48Å; R317-R320 PolarHBondContact O-N 3.5Å; D318-R320 PolarHBondContact O-N 3.43Å; R320-P325 VanDerWaalsContact O-CD 3.3Å; R320-P325 WeakPolarHBondContact O-CD 3.32Å; R320-P325 VanDerWaalsContact O-CG 3.3Å; R320-P325 WeakPolarHBondContact O-CG 3.45Å; R320-E375 IonicContact CZ-OE2 3.16Å; R320-E375 IonicContact NH1-OE2 3.02Å; R320-E375 PolarHBondContact NH1-OE2 2.89Å; R320-E379 IonicContact NH2-OE2 2.75Å; R320-E711 IonicContact CZ-OE1 2.91Å; R320-E711 IonicContact CZ-OE2 2.72Å; R320-E711 IonicContact NH1-OE1 3.32Å; R320-E711 IonicContact NH2-OE1 2.67Å; R320-E711 PolarHBondContact NH2-OE1 2.83Å; R320-E711 IonicContact NH2-OE2 2.76Å; R320-E711 PolarHBondContact NH2-OE2 3.24Å
321	R	85.6	Confident	91.7	Very high	110 Å²	110	53 Å²	53	42%	0.415	26%	0.258	S	S	.	.	I	π-helix	trans	-84.4	-37.7	-176	-175.6	-177.4	-65.7	158.5	-2.2	113.7	R317 D318 Y319	R317-R321 WeakPolarHBondContact O-CB 3.44Å; R317-R321 PolarHBondContact O-N 3.26Å; D318-R321 PolarHBondContact O-N 3.42Å; Y319-R321 PolarHBondContact O-N 3.3Å
322	L	88.3	Confident	91.6	Very high	102 Å²	102	47.7 Å²	47.7	53%	0.534	23%	0.234	S	C	.	.	I	π-helix	trans	-116.4	-38.6	-169.5	-58	176.3	0	0	0	113.1	D318 P326	D318-L322 WeakPolarHBondContact O-CB 3.05Å; D318-L322 PolarHBondContact O-N 2.89Å; L322-P326 WeakPolarHBondContact O-CD 3.07Å
323	H	92	Very high	91.4	Very high	113 Å²	113	49.7 Å²	49.7	52%	0.523	24%	0.244	S	C	.	.	I	π-helix	trans	-96.5	-41.9	-168.8	-63.5	-78.2	0	0	0	113.9	Y319	Y319-H323 HydrophobicContact CD2-CB 4.13Å; Y319-H323 WeakPolarHBondContact O-CA 3.49Å; Y319-H323 WeakPolarHBondContact O-CB 3.3Å; Y319-H323 PolarHBondContact O-N 2.92Å
324	K	92.9	Very high	91.3	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-67.6	-44.7	177	-164.9	-165.1	179.9	-153.5	0	113.7	W289 Y319 K327 V328 W368 E375 E718	W289-K324 HydrophobicContact CH2-CG 4.44Å; Y319-K324 HydrophobicContact CE1-CB 4.4Å; Y319-K324 PolarHBondContact O-N 2.94Å; K324-K327 WeakPolarHBondContact O-CA 3.34Å; K324-K327 WeakPolarHBondContact O-CB 3.23Å; K324-K327 PolarHBondContact O-N 3.14Å; K324-V328 HydrophobicContact CG-CG2 4.44Å; K324-V328 PolarHBondContact O-N 2.99Å; K324-V328 VanDerWaalsContact O-N 3.14Å; K324-W368 HydrophobicContact CG-CH2 4.47Å; K324-E375 WeakPolarHBondContact CD-OE1 3.42Å; K324-E375 WeakPolarHBondContact CE-OE1 3.47Å; K324-E375 VanDerWaalsContact CE-OE2 3.32Å; K324-E375 WeakPolarHBondContact CE-OE2 3.44Å; K324-E375 IonicContact NZ-OE2 3.37Å; K324-E375 PolarHBondContact NZ-OE2 2.81Å; K324-E718 VanDerWaalsContact NZ-CD 3.31Å; K324-E718 IonicContact NZ-OE1 3.67Å; K324-E718 PolarHBondContact NZ-OE1 3.04Å; K324-E718 IonicContact NZ-OE2 3.71Å; K324-E718 PolarHBondContact NZ-OE2 3.33Å
325	P	88.5	Confident	91.2	Very high	56 Å²	56	47.3 Å²	47.3	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-61.4	-39.5	-170	-24.4	35.2	0	0	0	115.4	R320 K327 V328 Q329	R320-P325 VanDerWaalsContact O-CD 3.3Å; R320-P325 WeakPolarHBondContact O-CD 3.32Å; R320-P325 VanDerWaalsContact O-CG 3.3Å; R320-P325 WeakPolarHBondContact O-CG 3.45Å; P325-K327 PolarHBondContact O-N 3.27Å; P325-V328 PolarHBondContact O-N 3.45Å; P325-Q329 PolarHBondContact O-N 3Å
326	P	92.1	Very high	90.8	Very high	67 Å²	67	44.8 Å²	44.8	44%	0.435	22%	0.219	S	C	.	.	H	α-helix	trans	-59.4	-34	171	-25	35.5	0	0	0	113.1	L322 Q329 E330	L322-P326 WeakPolarHBondContact O-CD 3.07Å; P326-Q329 WeakPolarHBondContact O-CB 3.42Å; P326-Q329 PolarHBondContact O-N 2.71Å; P326-E330 WeakPolarHBondContact O-CG 3.35Å; P326-E330 PolarHBondContact O-N 3.3Å
327	K	94.2	Very high	90.6	Very high	38 Å²	38	46 Å²	46	17%	0.165	23%	0.225	C	C	.	.	H	α-helix	trans	-74.2	-29.8	-179.9	-59.4	-50.3	-169.1	-173.5	0	113.4	L286 W289 K324 P325 Q329 E330 K331 W368	L286-K327 HydrophobicContact CD1-CB 4.13Å; L286-K327 HydrophobicContact CD1-CD 4.34Å; W289-K327 HydrophobicContact CD2-CD 4.36Å; W289-K327 HydrophobicContact CD2-CG 3.79Å; W289-K327 HydrophobicContact CE3-CB 4.13Å; W289-K327 HydrophobicContact CE3-CG 3.89Å; W289-K327 HydrophobicContact CG-CG 4.42Å; W289-K327 HydrophobicContact CH2-CB 4.01Å; W289-K327 HydrophobicContact CH2-CG 3.95Å; W289-K327 HydrophobicContact CZ2-CB 4.38Å; W289-K327 HydrophobicContact CZ2-CG 3.83Å; W289-K327 HydrophobicContact CZ3-CB 3.87Å; W289-K327 HydrophobicContact CZ3-CG 3.98Å; K324-K327 WeakPolarHBondContact O-CA 3.34Å; K324-K327 WeakPolarHBondContact O-CB 3.23Å; K324-K327 PolarHBondContact O-N 3.14Å; P325-K327 PolarHBondContact O-N 3.27Å; K327-Q329 VanDerWaalsContact C-N 3.32Å; K327-E330 VanDerWaalsContact CD-CD 3.46Å; K327-E330 WeakPolarHBondContact CD-OE1 3.3Å; K327-E330 WeakPolarHBondContact CD-OE2 3.49Å; K327-E330 WeakPolarHBondContact CE-OE2 3.47Å; K327-E330 IonicContact NZ-OE1 3.52Å; K327-E330 PolarHBondContact NZ-OE1 3.21Å; K327-E330 IonicContact NZ-OE2 3.88Å; K327-E330 PolarHBondContact NZ-OE2 2.78Å; K327-E330 PolarHBondContact O-N 3.4Å; K327-K331 WeakPolarHBondContact O-CB 3.47Å; K327-K331 PolarHBondContact O-N 3.16Å; K327-W368 HydrophobicContact CB-CH2 4.14Å; K327-W368 HydrophobicContact CB-CZ3 4.12Å
328	V	90.7	Very high	90.5	Very high	14 Å²	14	47.1 Å²	47.1	9%	0.085	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-45	166.5	-178.4	0	0	0	0	110.1	K324 P325 K331 C332 W368 E718	K324-V328 HydrophobicContact CG-CG2 4.44Å; K324-V328 PolarHBondContact O-N 2.99Å; K324-V328 VanDerWaalsContact O-N 3.14Å; P325-V328 PolarHBondContact O-N 3.45Å; V328-K331 PolarHBondContact O-N 3.46Å; V328-C332 PolarHBondContact O-N 2.93Å; V328-W368 HydrophobicContact CG2-CH2 3.97Å; V328-W368 HydrophobicContact CG2-CZ2 3.76Å; V328-E718 HydrophobicContact CG1-CB 4.44Å; V328-E718 HydrophobicContact CG1-CG 4.36Å; V328-E718 HydrophobicContact CG2-CG 4.32Å
329	Q	90.3	Very high	90.2	Very high	102 Å²	102	46.8 Å²	46.8	48%	0.477	23%	0.229	S	C	.	.	H	α-helix	trans	-67.2	-41.5	178.5	-168.3	65.3	37.2	0	0	112.4	P325 P326 K327 C332 Q333	P325-Q329 PolarHBondContact O-N 3Å; P326-Q329 WeakPolarHBondContact O-CB 3.42Å; P326-Q329 PolarHBondContact O-N 2.71Å; K327-Q329 VanDerWaalsContact C-N 3.32Å; Q329-C332 PolarHBondContact O-N 3.4Å; Q329-Q333 WeakPolarHBondContact O-CB 3.46Å; Q329-Q333 PolarHBondContact O-N 2.93Å
330	E	93.2	Very high	89.8	Confident	49 Å²	49	47.6 Å²	47.6	23%	0.229	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-43.9	174.5	-73.6	173.2	-150.3	0	0	111.9	L282 P326 K327 C332 Q333 L334	L282-E330 HydrophobicContact CD1-CB 3.98Å; L282-E330 HydrophobicContact CD1-CG 4.01Å; P326-E330 WeakPolarHBondContact O-CG 3.35Å; P326-E330 PolarHBondContact O-N 3.3Å; K327-E330 VanDerWaalsContact CD-CD 3.46Å; K327-E330 WeakPolarHBondContact CD-OE1 3.3Å; K327-E330 WeakPolarHBondContact CD-OE2 3.49Å; K327-E330 WeakPolarHBondContact CE-OE2 3.47Å; K327-E330 IonicContact NZ-OE1 3.52Å; K327-E330 PolarHBondContact NZ-OE1 3.21Å; K327-E330 IonicContact NZ-OE2 3.88Å; K327-E330 PolarHBondContact NZ-OE2 2.78Å; K327-E330 PolarHBondContact O-N 3.4Å; E330-C332 VanDerWaalsContact C-N 3.34Å; E330-C332 PolarHBondContact O-N 2.99Å; E330-Q333 PolarHBondContact O-N 3.28Å; E330-L334 WeakPolarHBondContact O-CB 3.49Å; E330-L334 PolarHBondContact O-N 3.15Å
331	K	92.7	Very high	89.8	Confident	32 Å²	32	46.6 Å²	46.6	14%	0.139	23%	0.232	C	C	.	.	H	α-helix	trans	-57.2	-46.9	173.3	-178.1	-167.8	174.4	-176.2	0	111.5	L286 K327 V328 L334 E335 N365 W368	L286-K331 HydrophobicContact CD2-CB 3.88Å; L286-K331 HydrophobicContact CD2-CG 4.34Å; K327-K331 WeakPolarHBondContact O-CB 3.47Å; K327-K331 PolarHBondContact O-N 3.16Å; V328-K331 PolarHBondContact O-N 3.46Å; K331-L334 WeakPolarHBondContact O-CB 3.3Å; K331-L334 PolarHBondContact O-N 3.01Å; K331-E335 PolarHBondContact O-N 2.81Å; K331-N365 WeakPolarHBondContact CE-OD1 3.18Å; K331-N365 PolarHBondContact NZ-OD1 2.74Å; K331-W368 HydrophobicContact CD-CB 4.41Å; K331-W368 HydrophobicContact CD-CD2 3.71Å; K331-W368 HydrophobicContact CD-CE3 4.09Å; K331-W368 HydrophobicContact CD-CG 3.81Å; K331-W368 VanDerWaalsContact NZ-CD1 3.29Å
332	C	89.9	Confident	89.7	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.041	22%	0.222	C	C	.	.	H	α-helix	trans	-65.3	-43.5	179.1	-175.6	0	0	0	0	111.9	V328 Q329 E330 L334 E335 I336 A725	V328-C332 PolarHBondContact O-N 2.93Å; Q329-C332 PolarHBondContact O-N 3.4Å; E330-C332 VanDerWaalsContact C-N 3.34Å; E330-C332 PolarHBondContact O-N 2.99Å; C332-L334 PolarHBondContact O-N 2.65Å; C332-E335 PolarHBondContact O-N 3.05Å; C332-I336 WeakPolarHBondContact O-CG1 3.14Å; C332-I336 PolarHBondContact O-N 3.16Å; C332-A725 WeakPolarHBondContact SG-CB 3.44Å
333	Q	90.5	Very high	89.4	Confident	78 Å²	78	39 Å²	39	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-61.8	-32.8	176.4	-170.5	62	58.4	0	0	112.3	L282 Q329 E330 I336 N337	L282-Q333 HydrophobicContact CD2-CB 4.31Å; L282-Q333 HydrophobicContact CD2-CG 4.39Å; Q329-Q333 WeakPolarHBondContact O-CB 3.46Å; Q329-Q333 PolarHBondContact O-N 2.93Å; E330-Q333 PolarHBondContact O-N 3.28Å; Q333-I336 PolarHBondContact O-N 3.11Å; Q333-N337 PolarHBondContact NE2-OD1 2.7Å; Q333-N337 WeakPolarHBondContact O-CB 3.38Å; Q333-N337 PolarHBondContact O-N 3.03Å; Q333-N337 PolarHBondContact O-OD1 2.92Å
334	L	91.3	Very high	89	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-44.8	175.4	-176.5	149.3	0	0	0	112.3	Y279 L282 A283 E330 K331 C332 I336 N337 F338 V361 I364	Y279-L334 HydrophobicContact CD2-CD2 4.2Å; Y279-L334 HydrophobicContact CD2-CG 3.94Å; Y279-L334 HydrophobicContact CE2-CD1 4.42Å; Y279-L334 HydrophobicContact CE2-CD2 3.41Å; Y279-L334 VanDerWaalsContact CE2-CD2 3.41Å; Y279-L334 HydrophobicContact CE2-CG 3.65Å; L282-L334 HydrophobicContact CB-CD1 4.34Å; L282-L334 HydrophobicContact CD2-CB 3.81Å; L282-L334 HydrophobicContact CG-CB 4.28Å; L282-L334 HydrophobicContact CG-CD1 4.23Å; A283-L334 VanDerWaalsContact CA-CD1 3.45Å; A283-L334 HydrophobicContact CB-CD1 3.78Å; E330-L334 WeakPolarHBondContact O-CB 3.49Å; E330-L334 PolarHBondContact O-N 3.15Å; K331-L334 WeakPolarHBondContact O-CB 3.3Å; K331-L334 PolarHBondContact O-N 3.01Å; C332-L334 PolarHBondContact O-N 2.65Å; L334-I336 VanDerWaalsContact C-N 3.33Å; L334-I336 PolarHBondContact O-N 2.88Å; L334-N337 PolarHBondContact O-N 3.23Å; L334-F338 WeakPolarHBondContact O-CB 3.43Å; L334-F338 PolarHBondContact O-N 2.73Å; L334-V361 HydrophobicContact CD2-CG2 4.25Å; L334-I364 HydrophobicContact CD1-CD1 3.66Å; L334-I364 HydrophobicContact CD2-CD1 3.54Å; L334-I364 HydrophobicContact CG-CD1 4.27Å
335	E	88.2	Confident	88.5	Confident	17 Å²	17	35.7 Å²	35.7	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-41.8	173.8	-66.9	-170.9	174	0	0	111.4	K331 C332 F338 N339 V361 N365 R726	K331-E335 PolarHBondContact O-N 2.81Å; C332-E335 PolarHBondContact O-N 3.05Å; E335-F338 PolarHBondContact O-N 2.83Å; E335-N339 WeakPolarHBondContact O-CB 3.47Å; E335-N339 VanDerWaalsContact O-CG 3.25Å; E335-N339 PolarHBondContact O-N 3.09Å; E335-N339 PolarHBondContact O-ND2 3.21Å; E335-V361 HydrophobicContact CG-CG1 3.98Å; E335-N365 PolarHBondContact OE1-ND2 3.15Å; E335-R726 IonicContact OE1-NH2 2.64Å; E335-R726 IonicContact OE2-CZ 3.14Å; E335-R726 IonicContact OE2-NE 3.31Å; E335-R726 IonicContact OE2-NH2 3.15Å; E335-R726 PolarHBondContact OE2-NH2 2.87Å
336	I	86.5	Confident	88.1	Confident	29 Å²	29	36.5 Å²	36.5	15%	0.149	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-50.4	176.2	-72.2	170.7	0	0	0	111.5	C332 Q333 L334 F338 N339 T340 A725 N729	C332-I336 WeakPolarHBondContact O-CG1 3.14Å; C332-I336 PolarHBondContact O-N 3.16Å; Q333-I336 PolarHBondContact O-N 3.11Å; L334-I336 VanDerWaalsContact C-N 3.33Å; L334-I336 PolarHBondContact O-N 2.88Å; I336-F338 VanDerWaalsContact C-N 3.31Å; I336-F338 PolarHBondContact O-N 3.16Å; I336-N339 PolarHBondContact O-N 3.02Å; I336-T340 PolarHBondContact O-N 3.1Å; I336-T340 PolarHBondContact O-OG1 2.94Å; I336-A725 HydrophobicContact CD1-CB 4.07Å; I336-N729 HydrophobicContact CG1-CB 4.05Å; I336-N729 HydrophobicContact CG2-CB 4.49Å
337	N	89.3	Confident	87.3	Confident	28 Å²	28	33.9 Å²	33.9	15%	0.15	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-44.2	179.3	-74	6.3	0	0	0	110.9	Q333 L334 L341	Q333-N337 PolarHBondContact NE2-OD1 2.7Å; Q333-N337 WeakPolarHBondContact O-CB 3.38Å; Q333-N337 PolarHBondContact O-N 3.03Å; Q333-N337 PolarHBondContact O-OD1 2.92Å; L334-N337 PolarHBondContact O-N 3.23Å; N337-L341 WeakPolarHBondContact O-CB 3.32Å; N337-L341 PolarHBondContact O-N 2.89Å
338	F	89	Confident	86.5	Confident	44 Å²	44	33.8 Å²	33.8	19%	0.193	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-51.5	177.7	-175.6	-101.6	0	0	0	112.3	Y279 L334 E335 I336 T340 L341 Q342 F353 P355 V361	Y279-F338 HydrophobicContact CD2-CB 3.88Å; Y279-F338 HydrophobicContact CD2-CD2 4.22Å; Y279-F338 HydrophobicContact CE2-CB 3.73Å; Y279-F338 AromaticContact CE2-CD2 3.83Å; Y279-F338 HydrophobicContact CE2-CD2 3.83Å; Y279-F338 HydrophobicContact CE2-CG 4.11Å; L334-F338 WeakPolarHBondContact O-CB 3.43Å; L334-F338 PolarHBondContact O-N 2.73Å; E335-F338 PolarHBondContact O-N 2.83Å; I336-F338 VanDerWaalsContact C-N 3.31Å; I336-F338 PolarHBondContact O-N 3.16Å; F338-T340 PolarHBondContact O-N 3.32Å; F338-L341 PolarHBondContact O-N 2.9Å; F338-Q342 VanDerWaalsContact O-CB 3.25Å; F338-Q342 WeakPolarHBondContact O-CB 3.38Å; F338-Q342 PolarHBondContact O-N 3.25Å; F338-F353 AromaticContact CD2-CD1 3.96Å; F338-F353 HydrophobicContact CD2-CD1 3.96Å; F338-F353 HydrophobicContact CD2-CE1 4.26Å; F338-F353 AromaticContact CE2-CD1 3.95Å; F338-F353 HydrophobicContact CE2-CD1 3.95Å; F338-F353 HydrophobicContact CE2-CE1 4.45Å; F338-P355 HydrophobicContact CD2-CG 4.34Å; F338-P355 HydrophobicContact CE2-CG 3.91Å; F338-V361 HydrophobicContact CB-CG2 4.2Å; F338-V361 HydrophobicContact CD1-CG2 3.91Å; F338-V361 HydrophobicContact CD2-CG2 4.24Å; F338-V361 HydrophobicContact CE1-CG2 4.38Å; F338-V361 HydrophobicContact CG-CG2 3.83Å
339	N	84.8	Confident	85.7	Confident	57 Å²	57	36.8 Å²	36.8	31%	0.305	18%	0.181	S	C	.	.	H	α-helix	trans	-63.5	-40.9	-177.1	-72.3	-16	0	0	0	112.7	E335 I336 T343 N729	E335-N339 WeakPolarHBondContact O-CB 3.47Å; E335-N339 VanDerWaalsContact O-CG 3.25Å; E335-N339 PolarHBondContact O-N 3.09Å; E335-N339 PolarHBondContact O-ND2 3.21Å; I336-N339 PolarHBondContact O-N 3.02Å; N339-T343 WeakPolarHBondContact O-CB 3.3Å; N339-T343 PolarHBondContact O-N 3.41Å; N339-T343 PolarHBondContact O-OG1 3.48Å; N339-T343 VanDerWaalsContact O-OG1 3.07Å; N339-N729 VanDerWaalsContact CB-OD1 3.29Å; N339-N729 WeakPolarHBondContact CB-OD1 3.4Å
340	T	86.5	Confident	85.2	Confident	31 Å²	31	33 Å²	33	19%	0.19	16%	0.162	C	C	.	.	H	α-helix	trans	-70.9	-41.9	177	-70	0	0	0	0	112.3	I336 F338 T343 K344 N729 N733	I336-T340 PolarHBondContact O-N 3.1Å; I336-T340 PolarHBondContact O-OG1 2.94Å; F338-T340 PolarHBondContact O-N 3.32Å; T340-T343 PolarHBondContact O-N 2.87Å; T340-K344 HydrophobicContact CG2-CD 4.44Å; T340-K344 WeakPolarHBondContact O-CG 3.41Å; T340-K344 PolarHBondContact O-N 3.26Å; T340-N729 PolarHBondContact OG1-ND2 3.49Å; T340-N733 WeakPolarHBondContact CA-OD1 3.24Å; T340-N733 PolarHBondContact OG1-OD1 3.24Å
341	L	88.7	Confident	84.4	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-47.9	174	174.2	59.3	0	0	0	111.3	N272 L275 M276 N337 F338 T343 K344 L345 F353	N272-L341 HydrophobicContact CB-CD1 4.24Å; L275-L341 HydrophobicContact CB-CB 4.5Å; L275-L341 HydrophobicContact CB-CD1 3.95Å; L275-L341 HydrophobicContact CB-CD2 4.34Å; L275-L341 HydrophobicContact CB-CG 4.49Å; L275-L341 HydrophobicContact CD1-CD1 4.45Å; M276-L341 HydrophobicContact CB-CD2 4.38Å; M276-L341 HydrophobicContact CE-CD1 4.41Å; M276-L341 HydrophobicContact CG-CD1 4.38Å; M276-L341 HydrophobicContact CG-CD2 3.62Å; N337-L341 WeakPolarHBondContact O-CB 3.32Å; N337-L341 PolarHBondContact O-N 2.89Å; F338-L341 PolarHBondContact O-N 2.9Å; L341-T343 PolarHBondContact O-N 2.96Å; L341-K344 PolarHBondContact O-N 3.15Å; L341-L345 HydrophobicContact CD1-CD1 3.73Å; L341-L345 HydrophobicContact CD1-CG 3.96Å; L341-L345 HydrophobicContact CG-CD1 3.83Å; L341-L345 HydrophobicContact CG-CG 4.48Å; L341-L345 WeakPolarHBondContact O-CG 3.42Å; L341-L345 PolarHBondContact O-N 2.99Å; L341-F353 HydrophobicContact CD2-CB 3.91Å; L341-F353 HydrophobicContact CD2-CD1 3.59Å; L341-F353 HydrophobicContact CD2-CD2 4.46Å; L341-F353 HydrophobicContact CD2-CE1 4.21Å; L341-F353 HydrophobicContact CD2-CG 3.73Å; L341-F353 HydrophobicContact CG-CB 4.22Å
342	Q	85.2	Confident	83.8	Confident	45 Å²	45	35.3 Å²	35.3	21%	0.21	19%	0.189	C	C	.	.	H	α-helix	trans	-60.3	-34.7	178.5	-172.3	61.7	12.4	0	0	112.1	F338 R346 A352 F353	F338-Q342 VanDerWaalsContact O-CB 3.25Å; F338-Q342 WeakPolarHBondContact O-CB 3.38Å; F338-Q342 PolarHBondContact O-N 3.25Å; Q342-R346 VanDerWaalsContact O-CB 3.29Å; Q342-R346 WeakPolarHBondContact O-CB 3.49Å; Q342-R346 PolarHBondContact O-N 2.86Å; Q342-A352 VanDerWaalsContact NE2-CB 3.26Å; Q342-F353 VanDerWaalsContact OE1-N 3.1Å
343	T	80.5	Confident	83.6	Confident	7 Å²	7	36 Å²	36	4%	0.043	19%	0.192	C	C	.	.	H	α-helix	trans	-72.8	-44.2	174	-67.4	0	0	0	0	112.6	N339 T340 L341 L345 R346 L347 N733 L736	N339-T343 WeakPolarHBondContact O-CB 3.3Å; N339-T343 PolarHBondContact O-N 3.41Å; N339-T343 PolarHBondContact O-OG1 3.48Å; N339-T343 VanDerWaalsContact O-OG1 3.07Å; T340-T343 PolarHBondContact O-N 2.87Å; L341-T343 PolarHBondContact O-N 2.96Å; T343-L345 PolarHBondContact O-N 2.81Å; T343-R346 PolarHBondContact O-N 3.31Å; T343-R346 PolarHBondContact OG1-NH1 2.95Å; T343-L347 HydrophobicContact CG2-CD1 3.88Å; T343-L347 HydrophobicContact CG2-CG 4.38Å; T343-L347 VanDerWaalsContact O-CG 3.32Å; T343-L347 WeakPolarHBondContact O-CG 3.42Å; T343-L347 PolarHBondContact O-N 3.14Å; T343-N733 HydrophobicContact CG2-CB 4.18Å; T343-L736 HydrophobicContact CG2-CD2 3.83Å
344	K	84.1	Confident	83.3	Confident	43 Å²	43	40 Å²	40	19%	0.187	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-44.2	176.2	-79.6	-176.7	174.3	-179.6	0	112.8	E271 L275 T340 L341 S348 L736	E271-K344 IonicContact OE1-NZ 3.56Å; E271-K344 PolarHBondContact OE1-NZ 3.06Å; L275-K344 HydrophobicContact CD1-CD 4.06Å; T340-K344 HydrophobicContact CG2-CD 4.44Å; T340-K344 WeakPolarHBondContact O-CG 3.41Å; T340-K344 PolarHBondContact O-N 3.26Å; L341-K344 PolarHBondContact O-N 3.15Å; K344-S348 WeakPolarHBondContact O-CB 3.34Å; K344-S348 PolarHBondContact O-N 3.29Å; K344-S348 PolarHBondContact O-OG 3.06Å; K344-L736 HydrophobicContact CG-CD2 4.01Å
345	L	83.1	Confident	83.2	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-49.4	177.9	-70.6	166.1	0	0	0	111.1	N272 M276 L341 T343 L347 S348 N349 R350 F353	N272-L345 HydrophobicContact CB-CD2 4.08Å; M276-L345 HydrophobicContact CE-CD1 3.82Å; M276-L345 HydrophobicContact CE-CD2 3.92Å; M276-L345 HydrophobicContact CE-CG 4.47Å; L341-L345 HydrophobicContact CD1-CD1 3.73Å; L341-L345 HydrophobicContact CD1-CG 3.96Å; L341-L345 HydrophobicContact CG-CD1 3.83Å; L341-L345 HydrophobicContact CG-CG 4.48Å; L341-L345 WeakPolarHBondContact O-CG 3.42Å; L341-L345 PolarHBondContact O-N 2.99Å; T343-L345 PolarHBondContact O-N 2.81Å; L345-L347 PolarHBondContact O-N 3.24Å; L345-S348 CarbonylContact O-C 3.58Å; L345-S348 PolarHBondContact O-N 3.48Å; L345-S348 VanDerWaalsContact O-N 3.15Å; L345-N349 PolarHBondContact O-N 3.48Å; L345-R350 HydrophobicContact CB-CB 4.41Å; L345-R350 HydrophobicContact CD2-CB 3.9Å; L345-R350 PolarHBondContact O-N 3.05Å; L345-F353 HydrophobicContact CD1-CB 3.64Å
346	R	79.9	Confident	83.3	Confident	73 Å²	73	42.6 Å²	42.6	28%	0.275	23%	0.232	S	C	.	.	H	α-helix	trans	-60.1	-45.9	179.7	-169.3	-178.6	68.7	-107.3	-11	112.6	Q342 T343 S348 N349 Q810 D814	Q342-R346 VanDerWaalsContact O-CB 3.29Å; Q342-R346 WeakPolarHBondContact O-CB 3.49Å; Q342-R346 PolarHBondContact O-N 2.86Å; T343-R346 PolarHBondContact O-N 3.31Å; T343-R346 PolarHBondContact OG1-NH1 2.95Å; R346-S348 PolarHBondContact O-N 2.95Å; R346-N349 PolarHBondContact O-N 2.74Å; R346-N349 VanDerWaalsContact O-N 3.14Å; R346-Q810 VanDerWaalsContact NH2-CD 3.26Å; R346-Q810 VanDerWaalsContact NH2-NE2 3.14Å; R346-D814 WeakPolarHBondContact CD-OD2 3.27Å; R346-D814 WeakPolarHBondContact CG-OD2 3.26Å; R346-D814 IonicContact CZ-OD1 3.36Å; R346-D814 IonicContact CZ-OD2 3.91Å; R346-D814 VanDerWaalsContact NE-CG 3.29Å; R346-D814 IonicContact NE-OD1 2.72Å; R346-D814 IonicContact NE-OD2 2.68Å; R346-D814 PolarHBondContact NE-OD2 3.12Å; R346-D814 IonicContact NH2-OD1 2.66Å; R346-D814 PolarHBondContact NH2-OD1 2.94Å; R346-D814 IonicContact NH2-OD2 3.73Å
347	L	75.8	Confident	83.2	Confident	12 Å²	12	50.6 Å²	50.6	6%	0.063	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-29.6	177.3	-70.1	172.5	0	0	0	113.2	T343 L345 N349 L736 T737 A740 K741	T343-L347 HydrophobicContact CG2-CD1 3.88Å; T343-L347 HydrophobicContact CG2-CG 4.38Å; T343-L347 VanDerWaalsContact O-CG 3.32Å; T343-L347 WeakPolarHBondContact O-CG 3.42Å; T343-L347 PolarHBondContact O-N 3.14Å; L345-L347 PolarHBondContact O-N 3.24Å; L347-N349 VanDerWaalsContact C-N 3.3Å; L347-L736 HydrophobicContact CD1-CD2 3.6Å; L347-L736 HydrophobicContact CD1-CG 4.23Å; L347-T737 HydrophobicContact CD2-CG2 4.08Å; L347-A740 HydrophobicContact CD1-CB 4.05Å; L347-A740 HydrophobicContact CD2-CB 4.47Å; L347-K741 HydrophobicContact CD2-CD 4.46Å; L347-K741 HydrophobicContact CD2-CG 4.13Å
348	S	76.8	Confident	83.1	Confident	35 Å²	35	51.1 Å²	51.1	25%	0.245	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	6.6	178.2	-52	0	0	0	0	113.5	K344 L345 R346 R350	K344-S348 WeakPolarHBondContact O-CB 3.34Å; K344-S348 PolarHBondContact O-N 3.29Å; K344-S348 PolarHBondContact O-OG 3.06Å; L345-S348 CarbonylContact O-C 3.58Å; L345-S348 PolarHBondContact O-N 3.48Å; L345-S348 VanDerWaalsContact O-N 3.15Å; R346-S348 PolarHBondContact O-N 2.95Å; S348-R350 VanDerWaalsContact C-N 3.31Å; S348-R350 PolarHBondContact O-N 2.87Å
349	N	74	Confident	83.2	Confident	78 Å²	78	53 Å²	53	42%	0.417	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	43.8	-172.2	-58.2	-36.8	0	0	0	113.3	L345 R346 L347 T823	L345-N349 PolarHBondContact O-N 3.48Å; R346-N349 PolarHBondContact O-N 2.74Å; R346-N349 VanDerWaalsContact O-N 3.14Å; L347-N349 VanDerWaalsContact C-N 3.3Å; N349-T823 PolarHBondContact ND2-OG1 2.83Å
350	R	78.4	Confident	83.4	Confident	22 Å²	22	54.2 Å²	54.2	8%	0.083	29%	0.291	C	S	.	.			trans	-109.4	158.9	177.3	-60.9	-167	-176	-179	4.7	111.7	V265 N269 L345 S348 L886	V265-R350 PolarHBondContact O-NH2 2.98Å; N269-R350 VanDerWaalsContact CG-NH1 3.35Å; N269-R350 PolarHBondContact OD1-NH1 3.01Å; L345-R350 HydrophobicContact CB-CB 4.41Å; L345-R350 HydrophobicContact CD2-CB 3.9Å; L345-R350 PolarHBondContact O-N 3.05Å; S348-R350 VanDerWaalsContact C-N 3.31Å; S348-R350 PolarHBondContact O-N 2.87Å; R350-L886 WeakPolarHBondContact CD-O 3.4Å; R350-L886 WeakPolarHBondContact CG-O 3.31Å
351	P	76.9	Confident	83.5	Confident	67 Å²	67	54.3 Å²	54.3	44%	0.435	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-52.4	144.8	175.9	-29.9	38.3	0	0	0	113
352	A	79.9	Confident	83.5	Confident	62 Å²	62	57 Å²	57	51%	0.512	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-58.1	141.9	170.5	0	0	0	0	0	110.7	Q342 M354	Q342-A352 VanDerWaalsContact NE2-CB 3.26Å; A352-M354 PolarHBondContact O-N 3.05Å
353	F	85.5	Confident	83.7	Confident	22 Å²	22	56.8 Å²	56.8	10%	0.096	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-76.1	121.3	171.4	171.6	-119.8	0	0	0	109.3	M276 Y279 E280 F338 L341 Q342 L345 P355	M276-F353 HydrophobicContact CB-CD2 4.2Å; M276-F353 HydrophobicContact CB-CE2 3.92Å; M276-F353 HydrophobicContact CB-CZ 4.38Å; M276-F353 HydrophobicContact CE-CB 4.45Å; M276-F353 HydrophobicContact CE-CD2 4.4Å; M276-F353 HydrophobicContact CG-CD2 3.56Å; M276-F353 HydrophobicContact CG-CE2 3.81Å; M276-F353 HydrophobicContact CG-CG 4.07Å; M276-F353 HydrophobicContact SD-CD2 4.05Å; Y279-F353 AromaticContact CD1-CE1 3.54Å; Y279-F353 HydrophobicContact CD1-CE1 3.54Å; Y279-F353 AromaticContact CD1-CZ 3.83Å; Y279-F353 HydrophobicContact CD1-CZ 3.83Å; Y279-F353 HydrophobicContact CE1-CE1 4.06Å; Y279-F353 HydrophobicContact CE1-CZ 4.43Å; Y279-F353 AromaticContact CG-CE1 3.83Å; Y279-F353 HydrophobicContact CG-CE1 3.83Å; Y279-F353 HydrophobicContact CG-CZ 4.41Å; E280-F353 HydrophobicContact CG-CZ 4.17Å; F338-F353 AromaticContact CD2-CD1 3.96Å; F338-F353 HydrophobicContact CD2-CD1 3.96Å; F338-F353 HydrophobicContact CD2-CE1 4.26Å; F338-F353 AromaticContact CE2-CD1 3.95Å; F338-F353 HydrophobicContact CE2-CD1 3.95Å; F338-F353 HydrophobicContact CE2-CE1 4.45Å; L341-F353 HydrophobicContact CD2-CB 3.91Å; L341-F353 HydrophobicContact CD2-CD1 3.59Å; L341-F353 HydrophobicContact CD2-CD2 4.46Å; L341-F353 HydrophobicContact CD2-CE1 4.21Å; L341-F353 HydrophobicContact CD2-CG 3.73Å; L341-F353 HydrophobicContact CG-CB 4.22Å; Q342-F353 VanDerWaalsContact OE1-N 3.1Å; L345-F353 HydrophobicContact CD1-CB 3.64Å; F353-P355 HydrophobicContact CD1-CG 4.3Å; F353-P355 HydrophobicContact CE1-CB 4.44Å; F353-P355 HydrophobicContact CE1-CG 3.75Å; F353-P355 HydrophobicContact CZ-CB 4.4Å; F353-P355 HydrophobicContact CZ-CG 4.18Å
354	M	85.8	Confident	84.3	Confident	161 Å²	161	56.6 Å²	56.6	79%	0.793	31%	0.31	S	S	*	.			trans	-110.2	111.5	172.8	-169.5	167.6	70.7	0	0	108.9	A352	A352-M354 PolarHBondContact O-N 3.05Å
355	P	88.4	Confident	84.6	Confident	15 Å²	15	57.1 Å²	57.1	10%	0.097	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-56	154.4	174.8	-28.2	36.1	0	0	0	113.2	Y279 F338 F353 R359	Y279-P355 HydrophobicContact CD1-CG 4.44Å; Y279-P355 HydrophobicContact CE1-CB 3.76Å; Y279-P355 HydrophobicContact CE1-CG 3.64Å; F338-P355 HydrophobicContact CD2-CG 4.34Å; F338-P355 HydrophobicContact CE2-CG 3.91Å; F353-P355 HydrophobicContact CD1-CG 4.3Å; F353-P355 HydrophobicContact CE1-CB 4.44Å; F353-P355 HydrophobicContact CE1-CG 3.75Å; F353-P355 HydrophobicContact CZ-CB 4.4Å; F353-P355 HydrophobicContact CZ-CG 4.18Å; P355-R359 HydrophobicContact CB-CB 4.48Å; P355-R359 WeakPolarHBondContact CB-O 3.36Å
356	S	90.1	Very high	85	Confident	57 Å²	57	62 Å²	62	40%	0.399	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-56.5	151	171.3	-53.2	0	0	0	0	111.9	E280 G358 R359	E280-S356 VanDerWaalsContact OE1-CB 3.3Å; E280-S356 WeakPolarHBondContact OE1-CB 3.34Å; E280-S356 PolarHBondContact OE1-N 3.17Å; E280-S356 PolarHBondContact OE1-OG 2.66Å; S356-G358 PolarHBondContact O-N 2.65Å; S356-R359 WeakPolarHBondContact O-CB 3.49Å; S356-R359 PolarHBondContact O-N 3.01Å
357	E	85.2	Confident	85.8	Confident	198 Å²	198	59.8 Å²	59.8	93%	0.925	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	130.8	-179	-169.2	-178.9	177.5	0	0	112.2	R359	E357-R359 VanDerWaalsContact C-N 3.3Å; E357-R359 PolarHBondContact O-N 3.04Å
358	G	87.4	Confident	86.7	Confident	38 Å²	38	59.5 Å²	59.5	39%	0.392	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	8.1	-176.4	0	0	0	0	0	115.1	L287 S356 D363	L287-G358 WeakPolarHBondContact CD1-O 3.42Å; S356-G358 PolarHBondContact O-N 2.65Å; G358-D363 WeakPolarHBondContact CA-OD2 3.33Å
359	R	91.3	Very high	87.5	Confident	84 Å²	84	59.3 Å²	59.3	32%	0.317	34%	0.34	S	S	.	.			trans	-121.7	18	175.5	-55.3	-177.7	-176	-179.8	-5.3	112.9	Y279 E280 A283 S284 L287 P355 S356 E357 D363	Y279-R359 PolarHBondContact OH-O 3.11Å; E280-R359 WeakPolarHBondContact OE2-CD 3.44Å; E280-R359 IonicContact OE2-CZ 2.9Å; E280-R359 IonicContact OE2-NE 3.17Å; E280-R359 IonicContact OE2-NH1 2.65Å; E280-R359 PolarHBondContact OE2-NH1 3.2Å; A283-R359 HydrophobicContact CB-CB 4.22Å; S284-R359 PolarHBondContact OG-NH1 3.34Å; S284-R359 VanDerWaalsContact OG-NH1 3.1Å; S284-R359 PolarHBondContact OG-NH2 2.81Å; S284-R359 VanDerWaalsContact OG-NH2 3.17Å; L287-R359 HydrophobicContact CD1-CB 4.43Å; L287-R359 HydrophobicContact CD1-CG 4.1Å; P355-R359 HydrophobicContact CB-CB 4.48Å; P355-R359 WeakPolarHBondContact CB-O 3.36Å; S356-R359 WeakPolarHBondContact O-CB 3.49Å; S356-R359 PolarHBondContact O-N 3.01Å; E357-R359 VanDerWaalsContact C-N 3.3Å; E357-R359 PolarHBondContact O-N 3.04Å; R359-D363 PolarHBondContact N-OD2 3.08Å
360	M	88.1	Confident	88.5	Confident	82 Å²	82	58.8 Å²	58.8	40%	0.404	34%	0.342	S	S	.	.	S	Bend	trans	-68.9	153.4	173.9	-58.9	-178.8	-70.2	0	0	110.1	S362 D363 I364	M360-S362 WeakPolarHBondContact CB-OG 3.33Å; M360-S362 PolarHBondContact O-N 2.89Å; M360-S362 VanDerWaalsContact O-N 3.14Å; M360-D363 WeakPolarHBondContact CB-OD2 3.44Å; M360-D363 WeakPolarHBondContact CE-OD1 3.36Å; M360-D363 VanDerWaalsContact CE-OD2 3.32Å; M360-D363 WeakPolarHBondContact CE-OD2 3.48Å; M360-D363 PolarHBondContact N-OD2 3.44Å; M360-D363 WeakPolarHBondContact O-CB 3.26Å; M360-D363 PolarHBondContact O-N 2.63Å; M360-I364 PolarHBondContact O-N 2.55Å; M360-I364 VanDerWaalsContact O-N 3.12Å
361	V	88.8	Confident	89.3	Confident	33 Å²	33	57.7 Å²	57.7	20%	0.2	34%	0.338	C	S	.	.	H	α-helix	trans	-56.2	-31.1	175.9	178.2	0	0	0	0	111.7	Y279 L334 E335 F338 N365	Y279-V361 HydrophobicContact CE2-CG2 4.06Å; Y279-V361 WeakPolarHBondContact OH-CG2 2.88Å; Y279-V361 PolarHBondContact OH-N 2.65Å; L334-V361 HydrophobicContact CD2-CG2 4.25Å; E335-V361 HydrophobicContact CG-CG1 3.98Å; F338-V361 HydrophobicContact CB-CG2 4.2Å; F338-V361 HydrophobicContact CD1-CG2 3.91Å; F338-V361 HydrophobicContact CD2-CG2 4.24Å; F338-V361 HydrophobicContact CE1-CG2 4.38Å; F338-V361 HydrophobicContact CG-CG2 3.83Å; V361-N365 WeakPolarHBondContact O-CB 3.28Å; V361-N365 PolarHBondContact O-N 3.43Å; V361-N365 PolarHBondContact O-ND2 3.34Å; V361-N365 VanDerWaalsContact O-ND2 3.08Å
362	S	87.6	Confident	90	Very high	59 Å²	59	58.1 Å²	58.1	41%	0.413	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-43.7	171.6	52	0	0	0	0	113.1	M360 I364 N365 N366	M360-S362 WeakPolarHBondContact CB-OG 3.33Å; M360-S362 PolarHBondContact O-N 2.89Å; M360-S362 VanDerWaalsContact O-N 3.14Å; S362-I364 VanDerWaalsContact C-N 3.35Å; S362-N365 PolarHBondContact O-N 3.15Å; S362-N366 WeakPolarHBondContact O-CB 3.45Å; S362-N366 PolarHBondContact O-N 3.47Å; S362-N366 PolarHBondContact O-ND2 3.24Å
363	D	89.5	Confident	90.6	Very high	40 Å²	40	62.4 Å²	62.4	21%	0.214	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-40.2	-177.3	-53.6	-30.3	0	0	0	110.5	G358 R359 M360 N366 A367	G358-D363 WeakPolarHBondContact CA-OD2 3.33Å; R359-D363 PolarHBondContact N-OD2 3.08Å; M360-D363 WeakPolarHBondContact CB-OD2 3.44Å; M360-D363 WeakPolarHBondContact CE-OD1 3.36Å; M360-D363 VanDerWaalsContact CE-OD2 3.32Å; M360-D363 WeakPolarHBondContact CE-OD2 3.48Å; M360-D363 PolarHBondContact N-OD2 3.44Å; M360-D363 WeakPolarHBondContact O-CB 3.26Å; M360-D363 PolarHBondContact O-N 2.63Å; D363-N366 PolarHBondContact O-N 2.88Å; D363-A367 VanDerWaalsContact O-CB 3.3Å; D363-A367 WeakPolarHBondContact O-CB 3.2Å; D363-A367 PolarHBondContact O-N 2.98Å
364	I	92.8	Very high	91.1	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-44	175.7	-62.9	163.2	0	0	0	110.4	A283 L286 L287 L334 M360 S362 A367 W368	A283-I364 HydrophobicContact CB-CD1 3.99Å; L286-I364 HydrophobicContact CD2-CG2 3.8Å; L287-I364 HydrophobicContact CD1-CG1 4Å; L287-I364 HydrophobicContact CD2-CG1 3.96Å; L287-I364 HydrophobicContact CG-CG1 4Å; L334-I364 HydrophobicContact CD1-CD1 3.66Å; L334-I364 HydrophobicContact CD2-CD1 3.54Å; L334-I364 HydrophobicContact CG-CD1 4.27Å; M360-I364 PolarHBondContact O-N 2.55Å; M360-I364 VanDerWaalsContact O-N 3.12Å; S362-I364 VanDerWaalsContact C-N 3.35Å; I364-A367 PolarHBondContact O-N 3.37Å; I364-W368 VanDerWaalsContact O-CB 3.24Å; I364-W368 WeakPolarHBondContact O-CB 3.43Å; I364-W368 PolarHBondContact O-N 3.32Å
365	N	91	Very high	91.5	Very high	54 Å²	54	54.7 Å²	54.7	29%	0.289	31%	0.307	S	S	.	.	H	α-helix	trans	-65.9	-39.7	176.3	-88.9	-58.9	0	0	0	112.7	K331 E335 V361 S362 W368 G369	K331-N365 WeakPolarHBondContact CE-OD1 3.18Å; K331-N365 PolarHBondContact NZ-OD1 2.74Å; E335-N365 PolarHBondContact OE1-ND2 3.15Å; V361-N365 WeakPolarHBondContact O-CB 3.28Å; V361-N365 PolarHBondContact O-N 3.43Å; V361-N365 PolarHBondContact O-ND2 3.34Å; V361-N365 VanDerWaalsContact O-ND2 3.08Å; S362-N365 PolarHBondContact O-N 3.15Å; N365-W368 PolarHBondContact O-N 2.91Å; N365-G369 PolarHBondContact O-N 3.39Å
366	N	92.7	Very high	91.5	Very high	109 Å²	109	59.4 Å²	59.4	58%	0.583	33%	0.325	S	S	*	.	H	α-helix	trans	-63.1	-47.4	173.4	-71.1	-29.3	0	0	0	111.8	S362 D363 W368 G369 C370	S362-N366 WeakPolarHBondContact O-CB 3.45Å; S362-N366 PolarHBondContact O-N 3.47Å; S362-N366 PolarHBondContact O-ND2 3.24Å; D363-N366 PolarHBondContact O-N 2.88Å; N366-W368 VanDerWaalsContact C-N 3.3Å; N366-W368 PolarHBondContact O-N 3.1Å; N366-G369 PolarHBondContact O-N 2.84Å; N366-C370 PolarHBondContact O-N 3.48Å; N366-C370 PolarHBondContact O-SG 3.17Å
367	A	95.3	Very high	91.6	Very high	26 Å²	26	57.3 Å²	57.3	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-62.4	-37.3	177.7	0	0	0	0	0	112.2	L287 I290 D363 I364 L371	L287-A367 HydrophobicContact CD2-CB 4.01Å; I290-A367 HydrophobicContact CD1-CB 4.11Å; I290-A367 HydrophobicContact CG2-CB 4.21Å; D363-A367 VanDerWaalsContact O-CB 3.3Å; D363-A367 WeakPolarHBondContact O-CB 3.2Å; D363-A367 PolarHBondContact O-N 2.98Å; I364-A367 PolarHBondContact O-N 3.37Å; A367-L371 PolarHBondContact O-N 3.07Å; A367-L371 VanDerWaalsContact O-N 3.1Å
368	W	94.4	Very high	92.1	Very high	5 Å²	5	48.3 Å²	48.3	2%	0.019	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-42.9	175.3	-170.7	-84	0	0	0	112.4	L286 W289 I290 K324 K327 V328 K331 I364 N365 N366 C370 L371 E372	L286-W368 HydrophobicContact CD1-CZ3 4.11Å; W289-W368 HydrophobicContact CZ3-CH2 4.37Å; W289-W368 AromaticContact CZ3-CZ3 3.92Å; W289-W368 HydrophobicContact CZ3-CZ3 3.92Å; I290-W368 HydrophobicContact CD1-CE3 4.11Å; I290-W368 HydrophobicContact CG1-CE3 4.48Å; K324-W368 HydrophobicContact CG-CH2 4.47Å; K327-W368 HydrophobicContact CB-CH2 4.14Å; K327-W368 HydrophobicContact CB-CZ3 4.12Å; V328-W368 HydrophobicContact CG2-CH2 3.97Å; V328-W368 HydrophobicContact CG2-CZ2 3.76Å; K331-W368 HydrophobicContact CD-CB 4.41Å; K331-W368 HydrophobicContact CD-CD2 3.71Å; K331-W368 HydrophobicContact CD-CE3 4.09Å; K331-W368 HydrophobicContact CD-CG 3.81Å; K331-W368 VanDerWaalsContact NZ-CD1 3.29Å; I364-W368 VanDerWaalsContact O-CB 3.24Å; I364-W368 WeakPolarHBondContact O-CB 3.43Å; I364-W368 PolarHBondContact O-N 3.32Å; N365-W368 PolarHBondContact O-N 2.91Å; N366-W368 VanDerWaalsContact C-N 3.3Å; N366-W368 PolarHBondContact O-N 3.1Å; W368-C370 VanDerWaalsContact C-N 3.31Å; W368-C370 PolarHBondContact O-N 2.93Å; W368-L371 HydrophobicContact CE3-CD2 4.4Å; W368-L371 HydrophobicContact CZ3-CD2 4.33Å; W368-L371 WeakPolarHBondContact O-CB 3.35Å; W368-L371 PolarHBondContact O-N 3.19Å; W368-L371 VanDerWaalsContact O-N 3.1Å; W368-E372 VanDerWaalsContact CD1-CD 3.49Å; W368-E372 VanDerWaalsContact CD1-OE1 3.26Å; W368-E372 VanDerWaalsContact NE1-CD 3.35Å; W368-E372 PolarHBondContact NE1-OE1 3.04Å; W368-E372 PolarHBondContact O-N 3.34Å
369	G	93.8	Very high	92.2	Very high	32 Å²	32	47.4 Å²	47.4	33%	0.33	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-37.5	174.9	0	0	0	0	0	112.9	N365 N366 E372 Q373	N365-G369 PolarHBondContact O-N 3.39Å; N366-G369 PolarHBondContact O-N 2.84Å; G369-E372 PolarHBondContact O-N 3.01Å; G369-Q373 PolarHBondContact O-N 2.98Å; G369-Q373 VanDerWaalsContact O-N 3.09Å
370	C	95.6	Very high	92.1	Very high	66 Å²	66	48.2 Å²	48.2	45%	0.446	26%	0.264	S	S	.	.	H	α-helix	trans	-61.9	-43.4	170.7	-70.5	0	0	0	0	111.9	I294 N366 W368 Q373 V374	I294-C370 HydrophobicContact CD1-CB 4.45Å; N366-C370 PolarHBondContact O-N 3.48Å; N366-C370 PolarHBondContact O-SG 3.17Å; W368-C370 VanDerWaalsContact C-N 3.31Å; W368-C370 PolarHBondContact O-N 2.93Å; C370-Q373 PolarHBondContact O-N 3.21Å; C370-V374 WeakPolarHBondContact O-CG2 3.49Å; C370-V374 PolarHBondContact O-N 3.33Å
371	L	95.4	Very high	92.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-48.6	176.3	177	67.1	0	0	0	111.5	W289 I290 T293 I294 L297 A367 W368 Q373 V374 E375	W289-L371 HydrophobicContact CE3-CD2 4.48Å; W289-L371 HydrophobicContact CH2-CD2 3.91Å; W289-L371 HydrophobicContact CZ3-CD2 3.48Å; W289-L371 VanDerWaalsContact CZ3-CD2 3.48Å; I290-L371 HydrophobicContact CG1-CD2 4.36Å; I290-L371 HydrophobicContact CG2-CB 4.36Å; T293-L371 HydrophobicContact CG2-CD1 3.86Å; I294-L371 HydrophobicContact CG1-CB 4.45Å; I294-L371 HydrophobicContact CG1-CD1 4Å; L297-L371 HydrophobicContact CD1-CD1 3.63Å; A367-L371 PolarHBondContact O-N 3.07Å; A367-L371 VanDerWaalsContact O-N 3.1Å; W368-L371 HydrophobicContact CE3-CD2 4.4Å; W368-L371 HydrophobicContact CZ3-CD2 4.33Å; W368-L371 WeakPolarHBondContact O-CB 3.35Å; W368-L371 PolarHBondContact O-N 3.19Å; W368-L371 VanDerWaalsContact O-N 3.1Å; L371-Q373 VanDerWaalsContact C-N 3.32Å; L371-Q373 PolarHBondContact O-N 3.39Å; L371-V374 PolarHBondContact O-N 3.43Å; L371-V374 VanDerWaalsContact O-N 3.17Å; L371-E375 HydrophobicContact CD1-CG 4.4Å; L371-E375 HydrophobicContact CG-CG 4.41Å; L371-E375 WeakPolarHBondContact O-CG 3.44Å; L371-E375 PolarHBondContact O-N 3.48Å
372	E	92.1	Very high	92.7	Very high	75 Å²	75	44.8 Å²	44.8	35%	0.35	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-39.5	178.9	-69.8	174.9	160.3	0	0	112.6	W368 G369 E375 K376	W368-E372 VanDerWaalsContact CD1-CD 3.49Å; W368-E372 VanDerWaalsContact CD1-OE1 3.26Å; W368-E372 VanDerWaalsContact NE1-CD 3.35Å; W368-E372 PolarHBondContact NE1-OE1 3.04Å; W368-E372 PolarHBondContact O-N 3.34Å; G369-E372 PolarHBondContact O-N 3.01Å; E372-E375 PolarHBondContact O-N 3.26Å; E372-K376 PolarHBondContact O-N 3.22Å; E372-K376 VanDerWaalsContact O-N 3.08Å
373	Q	92.3	Very high	92.8	Very high	152 Å²	152	43.2 Å²	43.2	71%	0.71	23%	0.23	S	C	*	.	H	α-helix	trans	-64.2	-40.4	175.7	-172.6	177.3	10.6	0	0	112.2	G369 C370 L371 G377	G369-Q373 PolarHBondContact O-N 2.98Å; G369-Q373 VanDerWaalsContact O-N 3.09Å; C370-Q373 PolarHBondContact O-N 3.21Å; L371-Q373 VanDerWaalsContact C-N 3.32Å; L371-Q373 PolarHBondContact O-N 3.39Å; Q373-G377 PolarHBondContact O-N 3.13Å
374	V	95.8	Very high	92.9	Very high	19 Å²	19	45.5 Å²	45.5	12%	0.115	24%	0.242	C	C	.	.	H	α-helix	trans	-72.1	-41.2	177.9	-179.5	0	0	0	0	110.9	I294 L297 E298 C370 L371 K376 G377 Y378	I294-V374 HydrophobicContact CG2-CG2 4.43Å; L297-V374 HydrophobicContact CB-CG1 3.49Å; L297-V374 VanDerWaalsContact CB-CG1 3.49Å; E298-V374 HydrophobicContact CG-CG1 3.64Å; E298-V374 HydrophobicContact CG-CG2 4.34Å; C370-V374 WeakPolarHBondContact O-CG2 3.49Å; C370-V374 PolarHBondContact O-N 3.33Å; L371-V374 PolarHBondContact O-N 3.43Å; L371-V374 VanDerWaalsContact O-N 3.17Å; V374-K376 PolarHBondContact O-N 3.48Å; V374-G377 PolarHBondContact O-N 2.88Å; V374-Y378 WeakPolarHBondContact O-CB 3.36Å; V374-Y378 PolarHBondContact O-N 2.88Å
375	E	93.1	Very high	92.9	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-53	-51.8	173.5	-78.2	-177.1	-175.1	0	0	111.4	L297 Y319 R320 K324 L371 E372 G377 Y378 E379	L297-E375 HydrophobicContact CD1-CB 4.47Å; L297-E375 HydrophobicContact CD1-CG 3.54Å; Y319-E375 HydrophobicContact CE1-CG 4.13Å; Y319-E375 VanDerWaalsContact CE1-OE1 3.3Å; Y319-E375 WeakPolarHBondContact CE1-OE1 3.41Å; Y319-E375 PolarHBondContact OH-OE1 2.88Å; R320-E375 IonicContact CZ-OE2 3.16Å; R320-E375 IonicContact NH1-OE2 3.02Å; R320-E375 PolarHBondContact NH1-OE2 2.89Å; K324-E375 WeakPolarHBondContact CD-OE1 3.42Å; K324-E375 WeakPolarHBondContact CE-OE1 3.47Å; K324-E375 VanDerWaalsContact CE-OE2 3.32Å; K324-E375 WeakPolarHBondContact CE-OE2 3.44Å; K324-E375 IonicContact NZ-OE2 3.37Å; K324-E375 PolarHBondContact NZ-OE2 2.81Å; L371-E375 HydrophobicContact CD1-CG 4.4Å; L371-E375 HydrophobicContact CG-CG 4.41Å; L371-E375 WeakPolarHBondContact O-CG 3.44Å; L371-E375 PolarHBondContact O-N 3.48Å; E372-E375 PolarHBondContact O-N 3.26Å; E375-G377 PolarHBondContact O-N 2.63Å; E375-Y378 PolarHBondContact O-N 3.03Å; E375-Y378 VanDerWaalsContact O-N 3.15Å; E375-E379 PolarHBondContact O-N 2.96Å
376	K	88.5	Confident	93	Very high	114 Å²	114	44 Å²	44	50%	0.496	23%	0.233	S	C	.	.	H	α-helix	trans	-58.5	-46.6	177.9	178.4	177.2	173.8	178.2	0	111.9	E372 V374 Y378 E379 E380	E372-K376 PolarHBondContact O-N 3.22Å; E372-K376 VanDerWaalsContact O-N 3.08Å; V374-K376 PolarHBondContact O-N 3.48Å; K376-Y378 PolarHBondContact O-N 3.41Å; K376-E379 PolarHBondContact O-N 3.4Å; K376-E380 WeakPolarHBondContact CE-OE1 3.27Å; K376-E380 IonicContact NZ-OE1 3.38Å; K376-E380 WeakPolarHBondContact O-CB 3.41Å; K376-E380 WeakPolarHBondContact O-CG 3.48Å; K376-E380 PolarHBondContact O-N 2.72Å
377	G	92.4	Very high	92.8	Very high	14 Å²	14	43 Å²	43	14%	0.144	22%	0.221	C	C	.	.	H	α-helix	trans	-66.4	-24.1	179	0	0	0	0	0	114.1	Q373 V374 E375 W381	Q373-G377 PolarHBondContact O-N 3.13Å; V374-G377 PolarHBondContact O-N 2.88Å; E375-G377 PolarHBondContact O-N 2.63Å; G377-W381 VanDerWaalsContact O-CB 3.3Å; G377-W381 WeakPolarHBondContact O-CB 3.25Å; G377-W381 PolarHBondContact O-N 3.22Å
378	Y	95.2	Very high	92.7	Very high	8 Å²	8	44.7 Å²	44.7	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-79.8	-44.2	174.6	-171.1	-110.3	0	0	0	111.9	L297 R300 F316 V374 E375 K376 W381 L382	L297-Y378 HydrophobicContact CB-CG 4.48Å; L297-Y378 HydrophobicContact CD2-CD1 3.72Å; L297-Y378 HydrophobicContact CD2-CE1 4.27Å; L297-Y378 HydrophobicContact CD2-CG 4.09Å; L297-Y378 WeakPolarHBondContact O-CD2 3.46Å; R300-Y378 HydrophobicContact CG-CD2 4.4Å; F316-Y378 HydrophobicContact CB-CE1 4.16Å; F316-Y378 AromaticContact CD2-CD1 3.58Å; F316-Y378 HydrophobicContact CD2-CD1 3.58Å; F316-Y378 AromaticContact CD2-CE1 3.87Å; F316-Y378 HydrophobicContact CD2-CE1 3.87Å; F316-Y378 AromaticContact CE2-CD1 3.9Å; F316-Y378 HydrophobicContact CE2-CD1 3.9Å; F316-Y378 HydrophobicContact CG-CD1 4.09Å; F316-Y378 HydrophobicContact CG-CE1 4.17Å; V374-Y378 WeakPolarHBondContact O-CB 3.36Å; V374-Y378 PolarHBondContact O-N 2.88Å; E375-Y378 PolarHBondContact O-N 3.03Å; E375-Y378 VanDerWaalsContact O-N 3.15Å; K376-Y378 PolarHBondContact O-N 3.41Å; Y378-W381 AromaticContact CD2-CE3 3.72Å; Y378-W381 HydrophobicContact CD2-CE3 3.72Å; Y378-W381 HydrophobicContact CD2-CZ3 4.04Å; Y378-W381 AromaticContact CE2-CE3 3.61Å; Y378-W381 HydrophobicContact CE2-CE3 3.61Å; Y378-W381 AromaticContact CE2-CZ3 3.42Å; Y378-W381 HydrophobicContact CE2-CZ3 3.42Å; Y378-W381 VanDerWaalsContact CE2-CZ3 3.42Å; Y378-W381 PolarHBondContact O-N 3.07Å; Y378-L382 HydrophobicContact CD1-CD1 3.84Å; Y378-L382 HydrophobicContact CD1-CG 4.32Å; Y378-L382 HydrophobicContact CE1-CD1 3.56Å; Y378-L382 HydrophobicContact CE1-CD2 4.43Å; Y378-L382 HydrophobicContact CE1-CG 4.08Å; Y378-L382 WeakPolarHBondContact O-CG 3.39Å; Y378-L382 PolarHBondContact O-N 3.29Å
379	E	90.2	Very high	92.6	Very high	20 Å²	20	44.8 Å²	44.8	9%	0.093	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-45.9	174.2	-169	165.8	-167.6	0	0	110.7	F316 R320 E375 K376 W381 L382 L383 Q696 R714	F316-E379 HydrophobicContact CE1-CB 3.71Å; F316-E379 HydrophobicContact CE1-CG 3.89Å; F316-E379 HydrophobicContact CZ-CB 4.07Å; R320-E379 IonicContact NH2-OE2 2.75Å; E375-E379 PolarHBondContact O-N 2.96Å; K376-E379 PolarHBondContact O-N 3.4Å; E379-W381 VanDerWaalsContact C-N 3.34Å; E379-W381 PolarHBondContact O-N 3.05Å; E379-L382 PolarHBondContact O-N 3.32Å; E379-L383 HydrophobicContact CG-CD1 4.11Å; E379-L383 VanDerWaalsContact O-CG 3.26Å; E379-L383 WeakPolarHBondContact O-CG 3.23Å; E379-L383 PolarHBondContact O-N 3.14Å; E379-L383 VanDerWaalsContact O-N 3.15Å; E379-Q696 PolarHBondContact OE1-NE2 3.23Å; E379-R714 IonicContact OE1-CZ 3.18Å; E379-R714 IonicContact OE1-NH1 3.8Å; E379-R714 PolarHBondContact OE1-NH1 3.24Å; E379-R714 IonicContact OE1-NH2 2.76Å; E379-R714 IonicContact OE2-NH1 2.91Å; E379-R714 PolarHBondContact OE2-NH1 2.91Å
380	E	89.7	Confident	92.4	Very high	101 Å²	101	45.7 Å²	45.7	47%	0.472	22%	0.218	S	C	.	.	H	α-helix	trans	-60.9	-39.1	174.7	-73.6	178.3	-174.6	0	0	112.7	K376 N384	K376-E380 WeakPolarHBondContact CE-OE1 3.27Å; K376-E380 IonicContact NZ-OE1 3.38Å; K376-E380 WeakPolarHBondContact O-CB 3.41Å; K376-E380 WeakPolarHBondContact O-CG 3.48Å; K376-E380 PolarHBondContact O-N 2.72Å; E380-N384 WeakPolarHBondContact O-CB 3.39Å; E380-N384 PolarHBondContact O-N 2.87Å; E380-N384 VanDerWaalsContact O-N 3.13Å; E380-N384 PolarHBondContact O-ND2 2.89Å
381	W	95.4	Very high	92.2	Very high	42 Å²	42	48.7 Å²	48.7	16%	0.159	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-49.2	177.1	169.1	72.5	0	0	0	112.2	R300 V301 M309 G377 Y378 E379 L383 N384 E385	R300-W381 HydrophobicContact CB-CD2 3.8Å; R300-W381 HydrophobicContact CB-CE3 4.26Å; R300-W381 HydrophobicContact CB-CG 4.15Å; R300-W381 HydrophobicContact CB-CZ2 4.07Å; R300-W381 HydrophobicContact CG-CB 4.49Å; R300-W381 HydrophobicContact CG-CD2 3.81Å; R300-W381 HydrophobicContact CG-CE3 4.05Å; R300-W381 HydrophobicContact CG-CG 3.98Å; R300-W381 WeakPolarHBondContact O-CZ2 3.42Å; V301-W381 WeakPolarHBondContact O-CH2 3.15Å; M309-W381 HydrophobicContact CE-CH2 3.78Å; M309-W381 HydrophobicContact CE-CZ2 4.12Å; M309-W381 HydrophobicContact CE-CZ3 4.11Å; M309-W381 HydrophobicContact SD-CH2 4.42Å; G377-W381 VanDerWaalsContact O-CB 3.3Å; G377-W381 WeakPolarHBondContact O-CB 3.25Å; G377-W381 PolarHBondContact O-N 3.22Å; Y378-W381 AromaticContact CD2-CE3 3.72Å; Y378-W381 HydrophobicContact CD2-CE3 3.72Å; Y378-W381 HydrophobicContact CD2-CZ3 4.04Å; Y378-W381 AromaticContact CE2-CE3 3.61Å; Y378-W381 HydrophobicContact CE2-CE3 3.61Å; Y378-W381 AromaticContact CE2-CZ3 3.42Å; Y378-W381 HydrophobicContact CE2-CZ3 3.42Å; Y378-W381 VanDerWaalsContact CE2-CZ3 3.42Å; Y378-W381 PolarHBondContact O-N 3.07Å; E379-W381 VanDerWaalsContact C-N 3.34Å; E379-W381 PolarHBondContact O-N 3.05Å; W381-L383 VanDerWaalsContact C-N 3.34Å; W381-L383 PolarHBondContact O-N 3.33Å; W381-N384 PolarHBondContact O-N 2.89Å; W381-E385 WeakPolarHBondContact O-CB 3.44Å; W381-E385 PolarHBondContact O-N 2.83Å
382	L	93.7	Very high	92.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-54.2	-49	178	-74.9	173.9	0	0	0	111.6	M309 K312 L313 F316 Y378 E379 E385 I386	M309-L382 HydrophobicContact CE-CD2 3.62Å; K312-L382 HydrophobicContact CB-CD2 3.84Å; L313-L382 HydrophobicContact CD1-CB 4.48Å; L313-L382 HydrophobicContact CD1-CD1 3.97Å; F316-L382 HydrophobicContact CB-CD1 4.02Å; F316-L382 HydrophobicContact CD1-CD1 4.36Å; F316-L382 HydrophobicContact CG-CD1 4.23Å; Y378-L382 HydrophobicContact CD1-CD1 3.84Å; Y378-L382 HydrophobicContact CD1-CG 4.32Å; Y378-L382 HydrophobicContact CE1-CD1 3.56Å; Y378-L382 HydrophobicContact CE1-CD2 4.43Å; Y378-L382 HydrophobicContact CE1-CG 4.08Å; Y378-L382 WeakPolarHBondContact O-CG 3.39Å; Y378-L382 PolarHBondContact O-N 3.29Å; E379-L382 PolarHBondContact O-N 3.32Å; L382-E385 PolarHBondContact O-N 3.14Å; L382-I386 VanDerWaalsContact O-CG1 3.31Å; L382-I386 WeakPolarHBondContact O-CG1 3.32Å; L382-I386 PolarHBondContact O-N 3.26Å
383	L	89.7	Confident	92.1	Very high	26 Å²	26	49 Å²	49	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-70.9	-34	-176.4	-59.4	172.5	0	0	0	112.3	L313 E379 W381 R387 Q696 F701	L313-L383 HydrophobicContact CD1-CD2 4.27Å; L313-L383 HydrophobicContact CD2-CD2 4.15Å; E379-L383 HydrophobicContact CG-CD1 4.11Å; E379-L383 VanDerWaalsContact O-CG 3.26Å; E379-L383 WeakPolarHBondContact O-CG 3.23Å; E379-L383 PolarHBondContact O-N 3.14Å; E379-L383 VanDerWaalsContact O-N 3.15Å; W381-L383 VanDerWaalsContact C-N 3.34Å; W381-L383 PolarHBondContact O-N 3.33Å; L383-R387 WeakPolarHBondContact O-CG 3.37Å; L383-R387 PolarHBondContact O-N 2.92Å; L383-Q696 HydrophobicContact CD2-CG 4.38Å; L383-F701 HydrophobicContact CB-CD1 4.41Å; L383-F701 HydrophobicContact CB-CE1 3.94Å; L383-F701 HydrophobicContact CD2-CE1 3.94Å; L383-F701 HydrophobicContact CG-CE1 4.36Å
384	N	91.7	Very high	92.1	Very high	89 Å²	89	43.8 Å²	43.8	48%	0.476	20%	0.2	S	C	.	.	H	α-helix	trans	-65.2	-42.8	172.1	-83.3	-49.1	0	0	0	112.1	E380 W381 R387 R388	E380-N384 WeakPolarHBondContact O-CB 3.39Å; E380-N384 PolarHBondContact O-N 2.87Å; E380-N384 VanDerWaalsContact O-N 3.13Å; E380-N384 PolarHBondContact O-ND2 2.89Å; W381-N384 PolarHBondContact O-N 2.89Å; N384-R387 WeakPolarHBondContact O-CB 3.25Å; N384-R387 PolarHBondContact O-N 3.31Å; N384-R387 PolarHBondContact OD1-NH2 3.04Å; N384-R388 PolarHBondContact O-N 3.24Å
385	E	93.4	Very high	92	Very high	20 Å²	20	43.5 Å²	43.5	9%	0.093	20%	0.198	C	C	.	.	H	α-helix	trans	-72.3	-37.1	-175.8	-175.7	60.6	-171.6	0	0	112.2	P302 M309 W381 L382 R387 R388 L389	P302-E385 HydrophobicContact CB-CG 4.21Å; P302-E385 WeakPolarHBondContact CB-OE1 3.27Å; M309-E385 HydrophobicContact CE-CB 3.88Å; M309-E385 HydrophobicContact CE-CG 3.66Å; M309-E385 HydrophobicContact CG-CG 4.15Å; M309-E385 HydrophobicContact SD-CG 4.04Å; W381-E385 WeakPolarHBondContact O-CB 3.44Å; W381-E385 PolarHBondContact O-N 2.83Å; L382-E385 PolarHBondContact O-N 3.14Å; E385-R387 VanDerWaalsContact C-N 3.34Å; E385-R387 PolarHBondContact O-N 3.22Å; E385-R388 WeakPolarHBondContact O-CB 3.24Å; E385-R388 PolarHBondContact O-N 3.29Å; E385-R388 IonicContact OE1-CZ 3.86Å; E385-R388 VanDerWaalsContact OE1-CZ 3.31Å; E385-R388 IonicContact OE1-NE 3.7Å; E385-R388 PolarHBondContact OE1-NE 3.08Å; E385-R388 IonicContact OE1-NH2 2.99Å; E385-R388 PolarHBondContact OE1-NH2 2.95Å; E385-R388 IonicContact OE2-CZ 3.59Å; E385-R388 IonicContact OE2-NE 2.72Å; E385-R388 PolarHBondContact OE2-NE 3.5Å; E385-R388 IonicContact OE2-NH2 3.66Å; E385-L389 HydrophobicContact CG-CD1 4.35Å; E385-L389 WeakPolarHBondContact O-CG 3.36Å; E385-L389 PolarHBondContact O-N 2.93Å
386	I	92	Very high	92.1	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-43.6	170.4	-69.3	167.6	0	0	0	110.9	M306 M309 L313 L382 R388 L389 E390 L699	M306-I386 HydrophobicContact CG-CG2 4.23Å; M309-I386 HydrophobicContact CB-CD1 4.4Å; M309-I386 HydrophobicContact CB-CG1 3.68Å; L313-I386 HydrophobicContact CB-CD1 4.34Å; L313-I386 HydrophobicContact CD2-CD1 3.98Å; L382-I386 VanDerWaalsContact O-CG1 3.31Å; L382-I386 WeakPolarHBondContact O-CG1 3.32Å; L382-I386 PolarHBondContact O-N 3.26Å; I386-R388 PolarHBondContact O-N 3.13Å; I386-L389 PolarHBondContact O-N 3.38Å; I386-E390 PolarHBondContact O-N 3.32Å; I386-L699 HydrophobicContact CG2-CD2 3.5Å
387	R	88.8	Confident	92.3	Very high	89 Å²	89	41.4 Å²	41.4	34%	0.336	19%	0.191	S	C	.	.	H	α-helix	trans	-62.9	-39.3	174.5	-74.8	-173.5	-70.1	-111.3	7	113	L383 N384 E385 L389 R391 F701	L383-R387 WeakPolarHBondContact O-CG 3.37Å; L383-R387 PolarHBondContact O-N 2.92Å; N384-R387 WeakPolarHBondContact O-CB 3.25Å; N384-R387 PolarHBondContact O-N 3.31Å; N384-R387 PolarHBondContact OD1-NH2 3.04Å; E385-R387 VanDerWaalsContact C-N 3.34Å; E385-R387 PolarHBondContact O-N 3.22Å; R387-L389 VanDerWaalsContact C-N 3.34Å; R387-R391 PolarHBondContact O-N 3.05Å; R387-R391 VanDerWaalsContact O-N 3.15Å; R387-F701 HydrophobicContact CG-CD2 4.09Å; R387-F701 HydrophobicContact CG-CE2 3.36Å; R387-F701 HydrophobicContact CG-CZ 3.61Å
388	R	93.1	Very high	92.4	Very high	62 Å²	62	42.7 Å²	42.7	23%	0.234	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-47.1	175.6	-171.4	-174.3	71.4	93.9	4.6	110.2	N384 E385 I386 R391 L392 L464 D465	N384-R388 PolarHBondContact O-N 3.24Å; E385-R388 WeakPolarHBondContact O-CB 3.24Å; E385-R388 PolarHBondContact O-N 3.29Å; E385-R388 IonicContact OE1-CZ 3.86Å; E385-R388 VanDerWaalsContact OE1-CZ 3.31Å; E385-R388 IonicContact OE1-NE 3.7Å; E385-R388 PolarHBondContact OE1-NE 3.08Å; E385-R388 IonicContact OE1-NH2 2.99Å; E385-R388 PolarHBondContact OE1-NH2 2.95Å; E385-R388 IonicContact OE2-CZ 3.59Å; E385-R388 IonicContact OE2-NE 2.72Å; E385-R388 PolarHBondContact OE2-NE 3.5Å; E385-R388 IonicContact OE2-NH2 3.66Å; I386-R388 PolarHBondContact O-N 3.13Å; R388-R391 PolarHBondContact O-N 3.39Å; R388-L392 HydrophobicContact CG-CD1 4.32Å; R388-L392 WeakPolarHBondContact O-CB 3.48Å; R388-L392 WeakPolarHBondContact O-CG 3.3Å; R388-L392 PolarHBondContact O-N 3.01Å; R388-L464 PolarHBondContact NH1-O 2.95Å; R388-D465 PolarHBondContact NH1-O 2.72Å
389	L	92.7	Very high	92.4	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-40.9	-179.7	-68.7	164.1	0	0	0	112.7	M306 M309 E385 I386 R387 R391 L392 D393	M306-L389 HydrophobicContact CB-CB 4.21Å; M309-L389 HydrophobicContact CB-CD1 4.14Å; M309-L389 HydrophobicContact CG-CD1 3.43Å; M309-L389 VanDerWaalsContact CG-CD1 3.43Å; E385-L389 HydrophobicContact CG-CD1 4.35Å; E385-L389 WeakPolarHBondContact O-CG 3.36Å; E385-L389 PolarHBondContact O-N 2.93Å; I386-L389 PolarHBondContact O-N 3.38Å; R387-L389 VanDerWaalsContact C-N 3.34Å; L389-R391 PolarHBondContact O-N 2.7Å; L389-L392 HydrophobicContact CD2-CD1 4.44Å; L389-L392 WeakPolarHBondContact O-CB 3.47Å; L389-L392 PolarHBondContact O-N 3.46Å; L389-D393 PolarHBondContact O-N 3.1Å
390	E	89.9	Confident	92.7	Very high	50 Å²	50	47.2 Å²	47.2	23%	0.234	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-45.5	173.9	-176.3	-177.1	-155.5	0	0	111.9	M306 I386 L392 D393 H394 L699	M306-E390 HydrophobicContact SD-CB 4.39Å; I386-E390 PolarHBondContact O-N 3.32Å; E390-L392 PolarHBondContact O-N 3.17Å; E390-D393 PolarHBondContact O-N 3.1Å; E390-H394 PolarHBondContact O-N 3.11Å; E390-H394 VanDerWaalsContact O-N 3.14Å; E390-L699 VanDerWaalsContact CD-CD1 3.42Å; E390-L699 HydrophobicContact CG-CD1 4.28Å; E390-L699 WeakPolarHBondContact OE1-CD1 3.25Å; E390-L699 WeakPolarHBondContact OE2-CD1 3.4Å
391	R	91.6	Very high	92.8	Very high	130 Å²	130	44.9 Å²	44.9	49%	0.491	20%	0.198	S	C	.	.	H	α-helix	trans	-63.3	-41.5	175.9	-175.9	177.6	-177.5	161.4	0.7	111.6	R387 R388 L389 H394 L395 E460 L464	R387-R391 PolarHBondContact O-N 3.05Å; R387-R391 VanDerWaalsContact O-N 3.15Å; R388-R391 PolarHBondContact O-N 3.39Å; L389-R391 PolarHBondContact O-N 2.7Å; R391-H394 PolarHBondContact O-N 2.94Å; R391-L395 HydrophobicContact CG-CD1 3.86Å; R391-L395 HydrophobicContact CG-CG 4.3Å; R391-L395 WeakPolarHBondContact O-CB 3.32Å; R391-L395 VanDerWaalsContact O-CG 3.28Å; R391-L395 WeakPolarHBondContact O-CG 3.48Å; R391-L395 PolarHBondContact O-N 3.41Å; R391-E460 IonicContact CZ-OE1 2.65Å; R391-E460 IonicContact NE-OE1 2.81Å; R391-E460 PolarHBondContact NE-OE1 2.96Å; R391-E460 IonicContact NH2-OE1 2.84Å; R391-E460 PolarHBondContact NH2-OE1 3.5Å; R391-L464 HydrophobicContact CG-CD1 4.14Å
392	L	93.9	Very high	92.7	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-48.2	177.3	-80.2	178.9	0	0	0	112.5	R388 L389 E390 H394 L395 A396 L461 L464 Y466	R388-L392 HydrophobicContact CG-CD1 4.32Å; R388-L392 WeakPolarHBondContact O-CB 3.48Å; R388-L392 WeakPolarHBondContact O-CG 3.3Å; R388-L392 PolarHBondContact O-N 3.01Å; L389-L392 HydrophobicContact CD2-CD1 4.44Å; L389-L392 WeakPolarHBondContact O-CB 3.47Å; L389-L392 PolarHBondContact O-N 3.46Å; E390-L392 PolarHBondContact O-N 3.17Å; L392-H394 VanDerWaalsContact C-N 3.27Å; L392-H394 PolarHBondContact O-N 3.3Å; L392-L395 PolarHBondContact O-N 2.9Å; L392-A396 VanDerWaalsContact O-CB 3.24Å; L392-A396 WeakPolarHBondContact O-CB 3.3Å; L392-A396 PolarHBondContact O-N 2.69Å; L392-L461 HydrophobicContact CD2-CD2 3.75Å; L392-L464 HydrophobicContact CD2-CB 3.52Å; L392-L464 HydrophobicContact CD2-CD1 4.09Å; L392-L464 HydrophobicContact CD2-CG 4.48Å; L392-L464 HydrophobicContact CG-CB 4.21Å; L392-Y466 HydrophobicContact CB-CD2 4.2Å; L392-Y466 HydrophobicContact CD1-CD2 4.32Å; L392-Y466 HydrophobicContact CD2-CD2 4.04Å; L392-Y466 HydrophobicContact CD2-CG 4.23Å; L392-Y466 HydrophobicContact CG-CD2 4.44Å
393	D	91.3	Very high	92.7	Very high	78 Å²	78	43.6 Å²	43.6	42%	0.417	19%	0.193	S	C	.	.	H	α-helix	trans	-59.4	-40.9	178.2	-77.9	-22.6	0	0	0	111	L389 E390 E397	L389-D393 PolarHBondContact O-N 3.1Å; E390-D393 PolarHBondContact O-N 3.1Å; D393-E397 PolarHBondContact O-N 3.1Å; D393-E397 VanDerWaalsContact O-N 3.09Å
394	H	91.1	Very high	92.9	Very high	42 Å²	42	44.9 Å²	44.9	19%	0.194	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-49.1	175.5	-175.1	89.6	0	0	0	113.2	E390 R391 L392 A396 E397 K398 T535 I537	E390-H394 PolarHBondContact O-N 3.11Å; E390-H394 VanDerWaalsContact O-N 3.14Å; R391-H394 PolarHBondContact O-N 2.94Å; L392-H394 VanDerWaalsContact C-N 3.27Å; L392-H394 PolarHBondContact O-N 3.3Å; H394-A396 VanDerWaalsContact C-N 3.32Å; H394-A396 PolarHBondContact O-N 3.41Å; H394-E397 PolarHBondContact O-N 3.42Å; H394-K398 WeakPolarHBondContact O-CB 3.48Å; H394-K398 PolarHBondContact O-N 3.06Å; H394-T535 PolarHBondContact NE2-O 2.85Å; H394-I537 HydrophobicContact CB-CD1 3.8Å; H394-I537 HydrophobicContact CB-CG1 4.36Å; H394-I537 WeakPolarHBondContact ND1-CG1 3.45Å
395	L	95.1	Very high	92.9	Very high	13 Å²	13	43.2 Å²	43.2	7%	0.068	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-38.7	178.9	-71.4	169.7	0	0	0	111.5	R391 L392 K398 F399 I457 E460 L461 L464	R391-L395 HydrophobicContact CG-CD1 3.86Å; R391-L395 HydrophobicContact CG-CG 4.3Å; R391-L395 WeakPolarHBondContact O-CB 3.32Å; R391-L395 VanDerWaalsContact O-CG 3.28Å; R391-L395 WeakPolarHBondContact O-CG 3.48Å; R391-L395 PolarHBondContact O-N 3.41Å; L392-L395 PolarHBondContact O-N 2.9Å; L395-K398 PolarHBondContact O-N 3.29Å; L395-F399 WeakPolarHBondContact O-CB 3.32Å; L395-F399 PolarHBondContact O-N 3.09Å; L395-I457 HydrophobicContact CB-CG2 4.38Å; L395-I457 HydrophobicContact CD2-CG2 4.27Å; L395-E460 HydrophobicContact CD1-CB 4.48Å; L395-E460 HydrophobicContact CD1-CG 3.84Å; L395-E460 WeakPolarHBondContact CD1-OE1 3.41Å; L395-L461 HydrophobicContact CB-CD2 3.6Å; L395-L461 HydrophobicContact CB-CG 3.96Å; L395-L461 HydrophobicContact CD1-CD2 4.44Å; L395-L464 HydrophobicContact CD1-CD1 3.67Å
396	A	95	Very high	92.8	Very high	6 Å²	6	42.2 Å²	42.2	5%	0.05	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-39.1	177.7	0	0	0	0	0	112	L392 H394 R400 L461 Y466	L392-A396 VanDerWaalsContact O-CB 3.24Å; L392-A396 WeakPolarHBondContact O-CB 3.3Å; L392-A396 PolarHBondContact O-N 2.69Å; H394-A396 VanDerWaalsContact C-N 3.32Å; H394-A396 PolarHBondContact O-N 3.41Å; A396-R400 VanDerWaalsContact O-CB 3.26Å; A396-R400 WeakPolarHBondContact O-CB 3.43Å; A396-R400 PolarHBondContact O-N 3.23Å; A396-L461 HydrophobicContact CB-CD2 4.32Å; A396-Y466 HydrophobicContact CB-CE1 4.28Å; A396-Y466 HydrophobicContact CB-CE2 4.04Å
397	E	93.4	Very high	92.9	Very high	66 Å²	66	44.7 Å²	44.7	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-67.7	-43.8	171.6	-178.6	57.4	-158	0	0	111.7	D393 H394 F399 R400 Q401	D393-E397 PolarHBondContact O-N 3.1Å; D393-E397 VanDerWaalsContact O-N 3.09Å; H394-E397 PolarHBondContact O-N 3.42Å; E397-F399 PolarHBondContact O-N 2.88Å; E397-R400 WeakPolarHBondContact O-CB 3.35Å; E397-R400 PolarHBondContact O-N 3.45Å; E397-R400 VanDerWaalsContact O-N 3.12Å; E397-R400 IonicContact OE2-CZ 2.63Å; E397-R400 IonicContact OE2-NH1 3.95Å; E397-R400 PolarHBondContact OE2-NH1 2.93Å; E397-Q401 WeakPolarHBondContact O-CG 3.39Å; E397-Q401 PolarHBondContact O-N 3.04Å; E397-Q401 WeakPolarHBondContact OE1-CG 3.23Å; E397-Q401 PolarHBondContact OE1-NE2 2.94Å
398	K	93.1	Very high	93	Very high	40 Å²	40	44.2 Å²	44.2	17%	0.174	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-42.2	178.1	-163	166.3	-169.6	135	0	112.1	H394 L395 Q401 K402 I457 D534 T535	H394-K398 WeakPolarHBondContact O-CB 3.48Å; H394-K398 PolarHBondContact O-N 3.06Å; L395-K398 PolarHBondContact O-N 3.29Å; K398-Q401 PolarHBondContact O-N 3.29Å; K398-K402 PolarHBondContact O-N 2.88Å; K398-I457 HydrophobicContact CD-CD1 4.39Å; K398-I457 HydrophobicContact CG-CD1 4.11Å; K398-D534 WeakPolarHBondContact CE-OD1 3.46Å; K398-D534 IonicContact NZ-OD1 2.78Å; K398-D534 PolarHBondContact NZ-OD1 3.39Å; K398-D534 IonicContact NZ-OD2 2.81Å; K398-D534 PolarHBondContact NZ-OD2 3.29Å; K398-T535 PolarHBondContact NZ-O 2.95Å
399	F	96.1	Very high	92.8	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-49.6	170.3	177.7	-98.1	0	0	0	111.3	L395 E397 Q401 K402 A403 I454 I457 A458 L461 V472 R475 C476	L395-F399 WeakPolarHBondContact O-CB 3.32Å; L395-F399 PolarHBondContact O-N 3.09Å; E397-F399 PolarHBondContact O-N 2.88Å; F399-Q401 VanDerWaalsContact C-N 3.3Å; F399-Q401 PolarHBondContact O-N 3.38Å; F399-K402 PolarHBondContact O-N 2.95Å; F399-A403 HydrophobicContact CE1-CB 4.43Å; F399-A403 HydrophobicContact CZ-CB 4.39Å; F399-A403 WeakPolarHBondContact O-CB 3.26Å; F399-A403 PolarHBondContact O-N 3.19Å; F399-I454 HydrophobicContact CD2-CG2 4.15Å; F399-I454 HydrophobicContact CE2-CG2 3.68Å; F399-I457 HydrophobicContact CB-CG2 3.84Å; F399-A458 HydrophobicContact CD2-CB 4.25Å; F399-A458 HydrophobicContact CE2-CB 3.92Å; F399-L461 HydrophobicContact CB-CD1 4.08Å; F399-L461 HydrophobicContact CG-CD1 4.42Å; F399-V472 HydrophobicContact CD1-CG1 4.08Å; F399-V472 HydrophobicContact CD1-CG2 4.21Å; F399-V472 HydrophobicContact CD2-CG1 4.2Å; F399-V472 HydrophobicContact CE1-CB 4.18Å; F399-V472 HydrophobicContact CE1-CG1 3.82Å; F399-V472 HydrophobicContact CE1-CG2 4.17Å; F399-V472 HydrophobicContact CE2-CG1 3.95Å; F399-V472 HydrophobicContact CG-CG1 4.27Å; F399-V472 HydrophobicContact CZ-CB 4.43Å; F399-V472 HydrophobicContact CZ-CG1 3.76Å; F399-V472 WeakPolarHBondContact CZ-O 3.46Å; F399-R475 HydrophobicContact CE1-CB 4.42Å; F399-R475 HydrophobicContact CZ-CB 4.24Å; F399-R475 HydrophobicContact CZ-CG 4.48Å; F399-C476 HydrophobicContact CE2-CB 4.16Å; F399-C476 HydrophobicContact CZ-CB 4.24Å
400	R	95.4	Very high	92.7	Very high	116 Å²	116	42.1 Å²	42.1	44%	0.438	21%	0.21	S	C	.	.	H	α-helix	trans	-56.9	-43	-179.9	-177.6	-176.9	-63.7	115.4	5.7	111.8	A396 E397 S404	A396-R400 VanDerWaalsContact O-CB 3.26Å; A396-R400 WeakPolarHBondContact O-CB 3.43Å; A396-R400 PolarHBondContact O-N 3.23Å; E397-R400 WeakPolarHBondContact O-CB 3.35Å; E397-R400 PolarHBondContact O-N 3.45Å; E397-R400 VanDerWaalsContact O-N 3.12Å; E397-R400 IonicContact OE2-CZ 2.63Å; E397-R400 IonicContact OE2-NH1 3.95Å; E397-R400 PolarHBondContact OE2-NH1 2.93Å; R400-S404 WeakPolarHBondContact O-CB 3.42Å; R400-S404 PolarHBondContact O-N 3.21Å; R400-S404 PolarHBondContact O-OG 2.63Å
401	Q	92.6	Very high	92.7	Very high	52 Å²	52	46.2 Å²	46.2	24%	0.243	23%	0.233	C	C	.	.	H	α-helix	trans	-67.7	-57.9	177.6	-68.5	-179	12.9	0	0	111.8	E397 K398 F399 A403 S404 I405	E397-Q401 WeakPolarHBondContact O-CG 3.39Å; E397-Q401 PolarHBondContact O-N 3.04Å; E397-Q401 WeakPolarHBondContact OE1-CG 3.23Å; E397-Q401 PolarHBondContact OE1-NE2 2.94Å; K398-Q401 PolarHBondContact O-N 3.29Å; F399-Q401 VanDerWaalsContact C-N 3.3Å; F399-Q401 PolarHBondContact O-N 3.38Å; Q401-A403 PolarHBondContact O-N 3.44Å; Q401-S404 PolarHBondContact O-N 3.21Å; Q401-S404 VanDerWaalsContact O-N 3.13Å; Q401-I405 WeakPolarHBondContact O-CG1 3.21Å; Q401-I405 PolarHBondContact O-N 3.28Å
402	K	92.6	Very high	92.4	Very high	15 Å²	15	42.1 Å²	42.1	7%	0.065	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-42	-177.1	-76.4	-179.3	176	-84.4	0	112.7	K398 F399 S404 I405 H406 I454 I457 E530	K398-K402 PolarHBondContact O-N 2.88Å; F399-K402 PolarHBondContact O-N 2.95Å; K402-S404 PolarHBondContact O-N 3.02Å; K402-I405 PolarHBondContact O-N 3.48Å; K402-H406 WeakPolarHBondContact O-CB 3.43Å; K402-H406 PolarHBondContact O-N 3.17Å; K402-I454 HydrophobicContact CB-CD1 4.31Å; K402-I454 HydrophobicContact CB-CG1 3.84Å; K402-I457 HydrophobicContact CD-CD1 4.02Å; K402-E530 IonicContact NZ-OE1 3.8Å; K402-E530 PolarHBondContact NZ-OE1 3.5Å
403	A	94.7	Very high	92.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-42.1	175.3	0	0	0	0	0	112.1	F399 Q401 H406 E407 I479	F399-A403 HydrophobicContact CE1-CB 4.43Å; F399-A403 HydrophobicContact CZ-CB 4.39Å; F399-A403 WeakPolarHBondContact O-CB 3.26Å; F399-A403 PolarHBondContact O-N 3.19Å; Q401-A403 PolarHBondContact O-N 3.44Å; A403-H406 PolarHBondContact O-N 3.26Å; A403-E407 WeakPolarHBondContact O-CB 3.26Å; A403-E407 VanDerWaalsContact O-CG 3.29Å; A403-E407 WeakPolarHBondContact O-CG 3.43Å; A403-E407 PolarHBondContact O-N 2.92Å; A403-I479 HydrophobicContact CB-CD1 3.85Å
404	S	94.3	Very high	92	Very high	53 Å²	53	42.6 Å²	42.6	37%	0.371	23%	0.23	S	C	.	.	H	α-helix	trans	-69.9	-35.7	179.3	-52	0	0	0	0	112.5	R400 Q401 K402 A408 R475	R400-S404 WeakPolarHBondContact O-CB 3.42Å; R400-S404 PolarHBondContact O-N 3.21Å; R400-S404 PolarHBondContact O-OG 2.63Å; Q401-S404 PolarHBondContact O-N 3.21Å; Q401-S404 VanDerWaalsContact O-N 3.13Å; K402-S404 PolarHBondContact O-N 3.02Å; S404-A408 VanDerWaalsContact O-CB 3.3Å; S404-A408 WeakPolarHBondContact O-CB 3.29Å; S404-A408 PolarHBondContact O-N 3.36Å; S404-R475 PolarHBondContact OG-NH2 2.99Å
405	I	90.4	Very high	91.7	Very high	54 Å²	54	43.6 Å²	43.6	28%	0.277	25%	0.245	S	C	.	.	H	α-helix	trans	-66.5	-40.8	173.5	-67.2	166.4	0	0	0	110.6	Q401 K402 W409	Q401-I405 WeakPolarHBondContact O-CG1 3.21Å; Q401-I405 PolarHBondContact O-N 3.28Å; K402-I405 PolarHBondContact O-N 3.48Å; I405-W409 PolarHBondContact O-N 3.34Å
406	H	92.7	Very high	91.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-47.2	176.5	-177.2	87.3	0	0	0	112.4	K402 A403 A408 W409 T410 V451 I454 W483	K402-H406 WeakPolarHBondContact O-CB 3.43Å; K402-H406 PolarHBondContact O-N 3.17Å; A403-H406 PolarHBondContact O-N 3.26Å; H406-A408 VanDerWaalsContact C-N 3.3Å; H406-A408 PolarHBondContact O-N 3.06Å; H406-W409 CarbonylContact O-C 3.59Å; H406-W409 WeakPolarHBondContact O-CA 3.4Å; H406-W409 WeakPolarHBondContact O-CB 3.4Å; H406-W409 PolarHBondContact O-N 2.86Å; H406-T410 VanDerWaalsContact NE2-CG2 3.29Å; H406-T410 WeakPolarHBondContact NE2-CG2 3.45Å; H406-T410 PolarHBondContact O-N 3.48Å; H406-V451 WeakPolarHBondContact CE1-CG2 2.95Å; H406-I454 HydrophobicContact CB-CD1 3.67Å; H406-W483 AromaticContact CE1-CE3 3.7Å; H406-W483 AromaticContact CE1-CZ3 3.67Å
407	E	93.2	Very high	90.6	Very high	54 Å²	54	46 Å²	46	25%	0.252	26%	0.256	S	S	.	.	H	α-helix	trans	-60.3	-37.5	176.3	-73.8	170.5	176	0	0	112.3	A403 W409 T410 D411 R475 I479	A403-E407 WeakPolarHBondContact O-CB 3.26Å; A403-E407 VanDerWaalsContact O-CG 3.29Å; A403-E407 WeakPolarHBondContact O-CG 3.43Å; A403-E407 PolarHBondContact O-N 2.92Å; E407-W409 PolarHBondContact O-N 3.33Å; E407-T410 PolarHBondContact O-N 2.89Å; E407-T410 PolarHBondContact O-OG1 3.48Å; E407-D411 PolarHBondContact O-N 3.29Å; E407-R475 WeakPolarHBondContact OE1-CG 3.41Å; E407-R475 IonicContact OE1-CZ 3.17Å; E407-R475 IonicContact OE1-NE 3.27Å; E407-R475 PolarHBondContact OE1-NE 3.28Å; E407-R475 IonicContact OE1-NH2 2.8Å; E407-R475 IonicContact OE2-CZ 3.04Å; E407-R475 IonicContact OE2-NE 3.73Å; E407-R475 PolarHBondContact OE2-NE 3.25Å; E407-R475 IonicContact OE2-NH2 2.69Å; E407-R475 PolarHBondContact OE2-NH2 2.71Å; E407-I479 HydrophobicContact CG-CD1 4.27Å; E407-I479 HydrophobicContact CG-CG1 4.3Å
408	A	91.1	Very high	90.3	Very high	80 Å²	80	50.2 Å²	50.2	66%	0.661	27%	0.269	S	S	*	.	H	α-helix	trans	-66	-25.8	173.8	0	0	0	0	0	113.1	S404 H406	S404-A408 VanDerWaalsContact O-CB 3.3Å; S404-A408 WeakPolarHBondContact O-CB 3.29Å; S404-A408 PolarHBondContact O-N 3.36Å; H406-A408 VanDerWaalsContact C-N 3.3Å; H406-A408 PolarHBondContact O-N 3.06Å
409	W	88.6	Confident	89.7	Confident	20 Å²	20	53.2 Å²	53.2	8%	0.076	28%	0.284	C	S	.	.	H	α-helix	trans	-83.2	-35.7	172.5	174.4	95.8	0	0	0	112.5	I405 H406 E407 D411 K413 F440 D443 L444 H447 W483 L486	I405-W409 PolarHBondContact O-N 3.34Å; H406-W409 CarbonylContact O-C 3.59Å; H406-W409 WeakPolarHBondContact O-CA 3.4Å; H406-W409 WeakPolarHBondContact O-CB 3.4Å; H406-W409 PolarHBondContact O-N 2.86Å; E407-W409 PolarHBondContact O-N 3.33Å; W409-D411 VanDerWaalsContact C-N 3.3Å; W409-D411 PolarHBondContact O-N 3.05Å; W409-K413 WeakPolarHBondContact O-CE 3.3Å; W409-K413 WeakPolarHBondContact O-CG 3.36Å; W409-F440 HydrophobicContact CZ2-CE2 4.31Å; W409-D443 WeakPolarHBondContact CZ2-OD2 3.46Å; W409-D443 PolarHBondContact NE1-OD2 3.06Å; W409-L444 HydrophobicContact CH2-CD1 3.83Å; W409-L444 HydrophobicContact CZ3-CD1 4.5Å; W409-H447 AromaticContact CD1-CD2 3.97Å; W409-H447 AromaticContact CD1-CE1 3.8Å; W409-H447 AromaticContact CD1-NE2 3.38Å; W409-H447 AromaticContact CD2-CD2 3.84Å; W409-H447 AromaticContact CE2-CD2 3.21Å; W409-H447 AromaticContact CE2-CG 3.92Å; W409-H447 AromaticContact CE2-NE2 3.48Å; W409-H447 HydrophobicContact CH2-CB 4.34Å; W409-H447 HydrophobicContact CZ2-CB 4.45Å; W409-H447 AromaticContact CZ2-CD2 3.35Å; W409-H447 WeakPolarHBondContact CZ2-CD2 3.48Å; W409-H447 HydrophobicContact CZ3-CB 4.46Å; W409-H447 AromaticContact NE1-CD2 3.29Å; W409-H447 PolarHBondContact NE1-CD2 3.47Å; W409-H447 VanDerWaalsContact NE1-CD2 3.29Å; W409-H447 AromaticContact NE1-CE1 3.87Å; W409-H447 AromaticContact NE1-NE2 3.02Å; W409-H447 PolarHBondContact NE1-NE2 3.23Å; W409-W483 AromaticContact CH2-CZ3 3.99Å; W409-W483 HydrophobicContact CH2-CZ3 3.99Å; W409-W483 HydrophobicContact CZ3-CE3 4.4Å; W409-W483 AromaticContact CZ3-CZ3 3.68Å; W409-W483 HydrophobicContact CZ3-CZ3 3.68Å; W409-L486 HydrophobicContact CZ3-CD1 4.44Å
410	T	90	Very high	88.9	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-73.5	-19.2	178.8	61.6	0	0	0	0	113.8	H406 E407 G412 K413 Q482 L486	H406-T410 VanDerWaalsContact NE2-CG2 3.29Å; H406-T410 WeakPolarHBondContact NE2-CG2 3.45Å; H406-T410 PolarHBondContact O-N 3.48Å; E407-T410 PolarHBondContact O-N 2.89Å; E407-T410 PolarHBondContact O-OG1 3.48Å; T410-G412 PolarHBondContact O-N 3.44Å; T410-K413 WeakPolarHBondContact O-CB 2.93Å; T410-K413 WeakPolarHBondContact O-CG 3.32Å; T410-K413 PolarHBondContact O-N 3.42Å; T410-K413 VanDerWaalsContact O-N 3.16Å; T410-Q482 PolarHBondContact OG1-OE1 3Å; T410-L486 HydrophobicContact CG2-CD1 3.97Å
411	D	90.7	Very high	87.8	Confident	136 Å²	136	56.2 Å²	56.2	73%	0.727	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	137.2	179.9	-168.3	24.2	0	0	0	112.4	E407 W409 K413	E407-D411 PolarHBondContact O-N 3.29Å; W409-D411 VanDerWaalsContact C-N 3.3Å; W409-D411 PolarHBondContact O-N 3.05Å; D411-K413 PolarHBondContact O-N 2.88Å
412	G	85.6	Confident	86.9	Confident	43 Å²	43	55.7 Å²	55.7	44%	0.443	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	-17.7	-174.6	0	0	0	0	0	117	T410 E414 A415 M416	T410-G412 PolarHBondContact O-N 3.44Å; G412-E414 PolarHBondContact O-N 2.82Å; G412-A415 WeakPolarHBondContact O-CB 3.37Å; G412-A415 PolarHBondContact O-N 3.03Å; G412-A415 VanDerWaalsContact O-N 3.12Å; G412-M416 PolarHBondContact O-N 2.89Å
413	K	88.5	Confident	85.2	Confident	47 Å²	47	61.1 Å²	61.1	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-43.2	-173.2	-55.4	-65.9	-165.6	148.4	0	112.9	W409 T410 D411 A415 M416 L417 F440 D443 L486	W409-K413 WeakPolarHBondContact O-CE 3.3Å; W409-K413 WeakPolarHBondContact O-CG 3.36Å; T410-K413 WeakPolarHBondContact O-CB 2.93Å; T410-K413 WeakPolarHBondContact O-CG 3.32Å; T410-K413 PolarHBondContact O-N 3.42Å; T410-K413 VanDerWaalsContact O-N 3.16Å; D411-K413 PolarHBondContact O-N 2.88Å; K413-A415 VanDerWaalsContact C-N 3.29Å; K413-A415 PolarHBondContact O-N 3.09Å; K413-M416 WeakPolarHBondContact O-CB 3.46Å; K413-M416 PolarHBondContact O-N 3.37Å; K413-L417 WeakPolarHBondContact O-CG 3.47Å; K413-L417 PolarHBondContact O-N 2.88Å; K413-F440 HydrophobicContact CB-CE2 4.33Å; K413-F440 HydrophobicContact CB-CZ 4.39Å; K413-F440 HydrophobicContact CD-CE2 3.89Å; K413-F440 HydrophobicContact CG-CE2 4.33Å; K413-D443 IonicContact NZ-OD2 3Å; K413-L486 HydrophobicContact CB-CD2 3.94Å
414	E	87.6	Confident	83.9	Confident	46 Å²	46	67.4 Å²	67.4	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-59.3	-39.8	174.3	-87.2	-155.2	-137.9	0	0	112.9	G412 M416 L417 R418 N485 L486 L489	G412-E414 PolarHBondContact O-N 2.82Å; E414-M416 VanDerWaalsContact C-N 3.33Å; E414-L417 PolarHBondContact O-N 3.48Å; E414-R418 WeakPolarHBondContact O-CG 3.19Å; E414-R418 PolarHBondContact O-N 3.08Å; E414-R418 IonicContact OE2-CZ 3.63Å; E414-R418 IonicContact OE2-NE 3.79Å; E414-R418 IonicContact OE2-NH2 2.69Å; E414-R418 PolarHBondContact OE2-NH2 2.91Å; E414-N485 PolarHBondContact OE1-ND2 2.97Å; E414-N485 PolarHBondContact OE2-ND2 3.11Å; E414-L486 HydrophobicContact CB-CD2 4.39Å; E414-L486 HydrophobicContact CG-CD2 3.63Å; E414-L486 HydrophobicContact CG-CG 4.22Å; E414-L489 HydrophobicContact CG-CD1 4.12Å
415	A	85.5	Confident	82.3	Confident	63 Å²	63	65.9 Å²	65.9	52%	0.521	35%	0.353	S	S	.	.	H	α-helix	trans	-68.5	-35.6	179	0	0	0	0	0	111.2	G412 K413 Q419	G412-A415 WeakPolarHBondContact O-CB 3.37Å; G412-A415 PolarHBondContact O-N 3.03Å; G412-A415 VanDerWaalsContact O-N 3.12Å; K413-A415 VanDerWaalsContact C-N 3.29Å; K413-A415 PolarHBondContact O-N 3.09Å; A415-Q419 WeakPolarHBondContact O-CG 3.4Å
416	M	82.2	Confident	80.7	Confident	60 Å²	60	65.4 Å²	65.4	30%	0.296	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-47.8	172.9	-170.2	-171.5	83.8	0	0	111.7	G412 K413 E414 R418 Q419 F440	G412-M416 PolarHBondContact O-N 2.89Å; K413-M416 WeakPolarHBondContact O-CB 3.46Å; K413-M416 PolarHBondContact O-N 3.37Å; E414-M416 VanDerWaalsContact C-N 3.33Å; M416-R418 PolarHBondContact O-N 3.49Å; M416-Q419 PolarHBondContact O-N 3.32Å; M416-F440 HydrophobicContact CE-CD2 3.99Å; M416-F440 HydrophobicContact CE-CE2 4.49Å; M416-F440 HydrophobicContact CE-CG 4.13Å
417	L	85.5	Confident	78.9	Confident	8 Å²	8	65.5 Å²	65.5	4%	0.042	35%	0.354	C	S	.	.	H	α-helix	trans	-64.2	-23.5	-177.1	-70.1	174.6	0	0	0	113.9	K413 E414 H437 F440 L486 L489 T490 R493	K413-L417 WeakPolarHBondContact O-CG 3.47Å; K413-L417 PolarHBondContact O-N 2.88Å; E414-L417 PolarHBondContact O-N 3.48Å; L417-H437 WeakPolarHBondContact CD2-NE2 3.48Å; L417-F440 HydrophobicContact CD1-CE1 3.89Å; L417-F440 HydrophobicContact CD1-CZ 4.21Å; L417-F440 HydrophobicContact CD2-CD1 3.97Å; L417-F440 HydrophobicContact CD2-CE1 3.84Å; L417-F440 HydrophobicContact CG-CE1 4.23Å; L417-L486 HydrophobicContact CD1-CD2 3.79Å; L417-L489 HydrophobicContact CB-CB 4.1Å; L417-L489 HydrophobicContact CD1-CB 3.9Å; L417-T490 VanDerWaalsContact CD1-OG1 3.31Å; L417-T490 WeakPolarHBondContact CD1-OG1 3.43Å; L417-R493 WeakPolarHBondContact O-CD 3.33Å
418	R	85.4	Confident	77.2	Confident	155 Å²	155	63 Å²	63	59%	0.585	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-3.7	179.7	-65.5	176.5	-166.5	-145.9	9.8	114.4	E414 M416 L489	E414-R418 WeakPolarHBondContact O-CG 3.19Å; E414-R418 PolarHBondContact O-N 3.08Å; E414-R418 IonicContact OE2-CZ 3.63Å; E414-R418 IonicContact OE2-NE 3.79Å; E414-R418 IonicContact OE2-NH2 2.69Å; E414-R418 PolarHBondContact OE2-NH2 2.91Å; M416-R418 PolarHBondContact O-N 3.49Å; R418-L489 HydrophobicContact CG-CD1 4.39Å; R418-L489 HydrophobicContact CG-CD2 4.19Å
419	Q	80.9	Confident	76	Confident	104 Å²	104	62 Å²	62	49%	0.486	32%	0.323	S	S	.	.			trans	-73.3	154.4	-178	-60	-172.9	9.1	0	0	112.6	A415 M416 R493	A415-Q419 WeakPolarHBondContact O-CG 3.4Å; M416-Q419 PolarHBondContact O-N 3.32Å; Q419-R493 PolarHBondContact O-NH1 3.39Å
420	K	79.4	Confident	75	Confident	136 Å²	136	61 Å²	61	59%	0.591	32%	0.32	S	S	*	.			trans	-116.9	29.6	175	-60	-172.1	174.2	-170.6	0	112.7	Y422 E423	K420-Y422 HydrophobicContact CB-CE1 4Å; K420-Y422 HydrophobicContact CG-CE1 4.08Å; K420-Y422 PolarHBondContact O-N 3.33Å; K420-E423 HydrophobicContact CB-CG 4.45Å; K420-E423 PolarHBondContact O-N 2.95Å; K420-E423 VanDerWaalsContact O-N 3.1Å
421	D	72.2	Confident	73.9	Confident	49 Å²	49	61.2 Å²	61.2	26%	0.262	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-44.9	-28.3	171	52.3	-15.6	0	0	0	114.4	E423 T424 L433 R493	D421-E423 PolarHBondContact O-N 3.27Å; D421-T424 PolarHBondContact O-N 3.45Å; D421-L433 HydrophobicContact CB-CD1 4.35Å; D421-L433 WeakPolarHBondContact OD2-CD2 3.5Å; D421-R493 VanDerWaalsContact CG-NH2 3.31Å; D421-R493 IonicContact OD1-CZ 3.35Å; D421-R493 IonicContact OD1-NH1 2.73Å; D421-R493 PolarHBondContact OD1-NH1 2.94Å; D421-R493 IonicContact OD1-NH2 3.04Å; D421-R493 PolarHBondContact OD1-NH2 3.2Å; D421-R493 IonicContact OD2-CZ 3.76Å; D421-R493 IonicContact OD2-NH1 3.83Å; D421-R493 IonicContact OD2-NH2 2.76Å; D421-R493 PolarHBondContact OD2-NH2 3.38Å
422	Y	73.3	Confident	72.3	Confident	41 Å²	41	54.7 Å²	54.7	16%	0.161	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-65.1	-13.2	178.3	65.9	-105.3	0	0	0	115.4	K420 I430 A496 L497	K420-Y422 HydrophobicContact CB-CE1 4Å; K420-Y422 HydrophobicContact CG-CE1 4.08Å; K420-Y422 PolarHBondContact O-N 3.33Å; Y422-I430 WeakPolarHBondContact O-CD1 3.3Å; Y422-A496 HydrophobicContact CD1-CB 4.39Å; Y422-A496 HydrophobicContact CE1-CB 3.94Å; Y422-A496 HydrophobicContact CE2-CB 4.4Å; Y422-L497 HydrophobicContact CD1-CD2 3.83Å; Y422-L497 HydrophobicContact CG-CD2 3.88Å
423	E	58.3	Low	71.5	Confident	129 Å²	129	53.6 Å²	53.6	60%	0.603	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-80	-14.9	-178	-62.7	-178	-179.4	0	0	113.6	K420 D421	K420-E423 HydrophobicContact CB-CG 4.45Å; K420-E423 PolarHBondContact O-N 2.95Å; K420-E423 VanDerWaalsContact O-N 3.1Å; D421-E423 PolarHBondContact O-N 3.27Å
424	T	66.1	Low	70.8	Confident	132 Å²	132	52.3 Å²	52.3	81%	0.81	26%	0.264	S	S	*	.	S	Bend	trans	-123.2	6.9	-179.5	53.9	0	0	0	0	114.4	D421	D421-T424 PolarHBondContact O-N 3.45Å
425	A	61.1	Low	69.6	Low	21 Å²	21	52.2 Å²	52.2	17%	0.174	26%	0.263	C	S	.	.			trans	-82.4	134.4	-169.7	0	0	0	0	0	114	E429 I430	A425-E429 HydrophobicContact CB-CB 3.7Å; A425-I430 HydrophobicContact CB-CB 3.92Å; A425-I430 HydrophobicContact CB-CD1 3.79Å; A425-I430 HydrophobicContact CB-CG1 4.43Å
426	T	56.1	Low	68.6	Low	44 Å²	44	52.1 Å²	52.1	27%	0.27	25%	0.251	S	S	.	.			trans	-63	165.5	162	65.5	0	0	0	0	110.9	S428 E429 I430	T426-S428 PolarHBondContact O-N 2.83Å; T426-E429 VanDerWaalsContact CB-OE2 3.31Å; T426-E429 WeakPolarHBondContact CB-OE2 3.48Å; T426-E429 WeakPolarHBondContact CG2-OE2 3.37Å; T426-E429 PolarHBondContact N-OE2 2.85Å; T426-E429 CarbonylContact O-C 3.5Å; T426-E429 WeakPolarHBondContact O-CA 3.45Å; T426-E429 WeakPolarHBondContact O-CB 3.27Å; T426-E429 PolarHBondContact O-N 3.34Å; T426-E429 WeakPolarHBondContact OG1-CG 3.38Å; T426-E429 PolarHBondContact OG1-OE2 3.05Å; T426-I430 PolarHBondContact O-N 3.35Å
427	L	56.6	Low	68.4	Low	3 Å²	3	49.4 Å²	49.4	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-48.9	-177	178.3	55.5	0	0	0	112.3	E429 I430 K431 E501 L503 L504 E505	L427-E429 CarbonylContact O-C 3.53Å; L427-E429 PolarHBondContact O-N 2.94Å; L427-I430 HydrophobicContact CD1-CG2 3.62Å; L427-I430 PolarHBondContact O-N 3.44Å; L427-K431 HydrophobicContact CD1-CB 3.55Å; L427-K431 HydrophobicContact CD1-CD 4.2Å; L427-K431 HydrophobicContact CD1-CG 3.74Å; L427-K431 HydrophobicContact CD2-CD 3.98Å; L427-K431 HydrophobicContact CD2-CG 4.42Å; L427-K431 HydrophobicContact CG-CB 4Å; L427-K431 HydrophobicContact CG-CD 4.31Å; L427-K431 HydrophobicContact CG-CG 4.3Å; L427-K431 WeakPolarHBondContact O-CB 3.05Å; L427-K431 PolarHBondContact O-N 2.65Å; L427-E501 VanDerWaalsContact CD1-O 3.26Å; L427-E501 WeakPolarHBondContact CD1-O 3.29Å; L427-L503 HydrophobicContact CB-CB 3.92Å; L427-L504 HydrophobicContact CB-CB 4.44Å; L427-L504 HydrophobicContact CB-CD2 4.12Å; L427-L504 HydrophobicContact CB-CG 3.97Å; L427-L504 VanDerWaalsContact CD2-C 3.5Å; L427-E505 HydrophobicContact CD2-CB 3.63Å; L427-E505 HydrophobicContact CD2-CG 4.34Å; L427-E505 VanDerWaalsContact CD2-N 3.31Å
428	S	56.2	Low	68.1	Low	0 Å²	0	54 Å²	54	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-12.9	177.4	27.7	0	0	0	0	112.2	T426 A432 L504 M586 P591 Y592	T426-S428 PolarHBondContact O-N 2.83Å; S428-A432 WeakPolarHBondContact O-CB 3.33Å; S428-L504 VanDerWaalsContact OG-CD1 3.27Å; S428-L504 WeakPolarHBondContact OG-CD1 3.31Å; S428-M586 WeakPolarHBondContact OG-CE 3.44Å; S428-M586 PolarHBondContact OG-SD 3.15Å; S428-P591 WeakPolarHBondContact O-CB 3.39Å; S428-P591 WeakPolarHBondContact O-CG 3.38Å; S428-Y592 WeakPolarHBondContact CA-OH 3.35Å; S428-Y592 PolarHBondContact O-OH 2.93Å
429	E	65.5	Low	67.2	Low	60 Å²	60	48.7 Å²	48.7	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-85.4	-38.6	163.5	-70.5	157.9	160.6	0	0	112.4	A425 T426 L427 A432 L433	A425-E429 HydrophobicContact CB-CB 3.7Å; T426-E429 VanDerWaalsContact CB-OE2 3.31Å; T426-E429 WeakPolarHBondContact CB-OE2 3.48Å; T426-E429 WeakPolarHBondContact CG2-OE2 3.37Å; T426-E429 PolarHBondContact N-OE2 2.85Å; T426-E429 CarbonylContact O-C 3.5Å; T426-E429 WeakPolarHBondContact O-CA 3.45Å; T426-E429 WeakPolarHBondContact O-CB 3.27Å; T426-E429 PolarHBondContact O-N 3.34Å; T426-E429 WeakPolarHBondContact OG1-CG 3.38Å; T426-E429 PolarHBondContact OG1-OE2 3.05Å; L427-E429 CarbonylContact O-C 3.53Å; L427-E429 PolarHBondContact O-N 2.94Å; E429-A432 CarbonylContact O-C 3.4Å; E429-L433 VanDerWaalsContact O-CG 3.29Å; E429-L433 WeakPolarHBondContact O-CG 3.5Å; E429-L433 PolarHBondContact O-N 2.98Å
430	I	68.1	Low	67.3	Low	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-95	-30.3	-171.3	-154.4	136.3	0	0	0	117	Y422 A425 T426 L427 A432 L433 L434 T500	Y422-I430 WeakPolarHBondContact O-CD1 3.3Å; A425-I430 HydrophobicContact CB-CB 3.92Å; A425-I430 HydrophobicContact CB-CD1 3.79Å; A425-I430 HydrophobicContact CB-CG1 4.43Å; T426-I430 PolarHBondContact O-N 3.35Å; L427-I430 HydrophobicContact CD1-CG2 3.62Å; L427-I430 PolarHBondContact O-N 3.44Å; I430-A432 PolarHBondContact O-N 2.83Å; I430-L433 HydrophobicContact CD1-CD1 4.46Å; I430-L433 HydrophobicContact CG1-CB 4.46Å; I430-L433 HydrophobicContact CG1-CD1 4.41Å; I430-L433 PolarHBondContact O-N 2.96Å; I430-L434 PolarHBondContact O-N 3.39Å; I430-T500 HydrophobicContact CD1-CG2 3.53Å; I430-T500 HydrophobicContact CG1-CG2 4.24Å; I430-T500 VanDerWaalsContact CG2-C 3.47Å; I430-T500 HydrophobicContact CG2-CG2 4.04Å; I430-T500 WeakPolarHBondContact CG2-O 3.26Å
431	K	67.3	Low	67.5	Low	8 Å²	8	40 Å²	40	4%	0.035	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-32.7	160.3	-121.6	-175	178.5	79.7	0	109.8	L427 K435 E501 E505 D508	L427-K431 HydrophobicContact CD1-CB 3.55Å; L427-K431 HydrophobicContact CD1-CD 4.2Å; L427-K431 HydrophobicContact CD1-CG 3.74Å; L427-K431 HydrophobicContact CD2-CD 3.98Å; L427-K431 HydrophobicContact CD2-CG 4.42Å; L427-K431 HydrophobicContact CG-CB 4Å; L427-K431 HydrophobicContact CG-CD 4.31Å; L427-K431 HydrophobicContact CG-CG 4.3Å; L427-K431 WeakPolarHBondContact O-CB 3.05Å; L427-K431 PolarHBondContact O-N 2.65Å; K431-K435 WeakPolarHBondContact O-CB 3.27Å; K431-K435 WeakPolarHBondContact O-CD 3.26Å; K431-K435 VanDerWaalsContact O-CG 3.22Å; K431-K435 WeakPolarHBondContact O-CG 3.31Å; K431-K435 PolarHBondContact O-N 3.14Å; K431-E501 HydrophobicContact CB-CG 4.4Å; K431-E501 VanDerWaalsContact CE-CD 3.49Å; K431-E501 WeakPolarHBondContact CE-OE1 3.46Å; K431-E501 VanDerWaalsContact CG-CD 3.42Å; K431-E501 HydrophobicContact CG-CG 3.55Å; K431-E501 WeakPolarHBondContact CG-OE1 3.36Å; K431-E501 VanDerWaalsContact NZ-CD 3.28Å; K431-E501 PolarHBondContact NZ-O 3.07Å; K431-E501 IonicContact NZ-OE1 3.26Å; K431-E501 PolarHBondContact NZ-OE1 3.07Å; K431-E501 IonicContact NZ-OE2 3.88Å; K431-E501 PolarHBondContact NZ-OE2 3.35Å; K431-E505 HydrophobicContact CD-CB 4.44Å; K431-E505 HydrophobicContact CD-CG 3.7Å; K431-E505 WeakPolarHBondContact CE-OE1 3.3Å; K431-E505 IonicContact NZ-OE1 3.37Å; K431-E505 PolarHBondContact NZ-OE1 3.11Å; K431-E505 IonicContact NZ-OE2 2.63Å; K431-E505 PolarHBondContact NZ-OE2 3.27Å; K431-D508 VanDerWaalsContact CB-OD1 3.31Å; K431-D508 WeakPolarHBondContact CB-OD1 3.4Å; K431-D508 WeakPolarHBondContact CD-OD1 3.37Å
432	A	56.5	Low	67.9	Low	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-82.7	-26.6	174.6	0	0	0	0	0	113.5	S428 E429 I430 L434 K436 P591 Y592	S428-A432 WeakPolarHBondContact O-CB 3.33Å; E429-A432 CarbonylContact O-C 3.4Å; I430-A432 PolarHBondContact O-N 2.83Å; A432-L434 VanDerWaalsContact C-N 3.33Å; A432-K436 WeakPolarHBondContact O-CA 3.38Å; A432-K436 WeakPolarHBondContact O-CB 3.37Å; A432-K436 VanDerWaalsContact O-CG 3.26Å; A432-K436 WeakPolarHBondContact O-CG 3.26Å; A432-K436 PolarHBondContact O-N 3.35Å; A432-P591 HydrophobicContact CB-CB 3.54Å; A432-P591 HydrophobicContact CB-CG 3.84Å; A432-P591 VanDerWaalsContact CB-O 3.24Å; A432-P591 WeakPolarHBondContact CB-O 3.37Å; A432-Y592 VanDerWaalsContact CA-CE1 3.47Å; A432-Y592 HydrophobicContact CB-CD1 3.53Å; A432-Y592 HydrophobicContact CB-CD2 4.26Å; A432-Y592 HydrophobicContact CB-CE1 3.29Å; A432-Y592 HydrophobicContact CB-CE2 4.05Å; A432-Y592 HydrophobicContact CB-CG 3.96Å
433	L	69.5	Low	68.1	Low	19 Å²	19	40.7 Å²	40.7	10%	0.099	22%	0.223	C	C	.	.	H	α-helix	trans	-64.9	-44.1	165.1	-73.7	-177.2	0	0	0	108.7	D421 E429 I430 K436 H437 L497	D421-L433 HydrophobicContact CB-CD1 4.35Å; D421-L433 WeakPolarHBondContact OD2-CD2 3.5Å; E429-L433 VanDerWaalsContact O-CG 3.29Å; E429-L433 WeakPolarHBondContact O-CG 3.5Å; E429-L433 PolarHBondContact O-N 2.98Å; I430-L433 HydrophobicContact CD1-CD1 4.46Å; I430-L433 HydrophobicContact CG1-CB 4.46Å; I430-L433 HydrophobicContact CG1-CD1 4.41Å; I430-L433 PolarHBondContact O-N 2.96Å; L433-K436 PolarHBondContact O-N 3.12Å; L433-H437 WeakPolarHBondContact O-CB 3.39Å; L433-H437 PolarHBondContact O-N 3.06Å; L433-L497 HydrophobicContact CB-CD1 4.09Å; L433-L497 HydrophobicContact CB-CD2 3.64Å; L433-L497 HydrophobicContact CB-CG 4.39Å; L433-L497 HydrophobicContact CD1-CD2 3.8Å; L433-L497 HydrophobicContact CG-CD2 4.34Å
434	L	73.6	Confident	69.4	Low	21 Å²	21	35.5 Å²	35.5	11%	0.11	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-49.4	176.3	-165.4	73	0	0	0	112	I430 A432 H437 E438 L497 E498 E501	I430-L434 PolarHBondContact O-N 3.39Å; A432-L434 VanDerWaalsContact C-N 3.33Å; L434-H437 CarbonylContact O-C 3.53Å; L434-H437 WeakPolarHBondContact O-CA 3.39Å; L434-H437 WeakPolarHBondContact O-CB 3.47Å; L434-H437 PolarHBondContact O-N 3.49Å; L434-H437 VanDerWaalsContact O-N 3.1Å; L434-E438 WeakPolarHBondContact O-CB 3.37Å; L434-E438 PolarHBondContact O-N 2.89Å; L434-L497 HydrophobicContact CB-CB 4.4Å; L434-L497 HydrophobicContact CD1-CB 3.64Å; L434-E498 HydrophobicContact CD1-CB 4.25Å; L434-E498 HydrophobicContact CD1-CG 3.35Å; L434-E498 HydrophobicContact CD2-CG 3.88Å; L434-E498 HydrophobicContact CG-CG 4.29Å; L434-E501 HydrophobicContact CB-CG 4.21Å; L434-E501 HydrophobicContact CD2-CG 3.74Å
435	K	62.8	Low	70.4	Confident	44 Å²	44	32.5 Å²	32.5	19%	0.191	19%	0.187	C	C	.	.	H	α-helix	trans	-71.1	-29.4	178.1	-69.4	166.5	-174.4	165.6	0	113.4	K431 H437 A439 D508 L512 Y592	K431-K435 WeakPolarHBondContact O-CB 3.27Å; K431-K435 WeakPolarHBondContact O-CD 3.26Å; K431-K435 VanDerWaalsContact O-CG 3.22Å; K431-K435 WeakPolarHBondContact O-CG 3.31Å; K431-K435 PolarHBondContact O-N 3.14Å; K435-H437 VanDerWaalsContact C-N 3.27Å; K435-A439 WeakPolarHBondContact O-CB 3.39Å; K435-A439 PolarHBondContact O-N 3.2Å; K435-D508 IonicContact NZ-OD1 2.89Å; K435-D508 PolarHBondContact NZ-OD1 2.76Å; K435-D508 IonicContact NZ-OD2 3.2Å; K435-D508 PolarHBondContact NZ-OD2 3.07Å; K435-L512 HydrophobicContact CD-CD1 3.95Å; K435-Y592 HydrophobicContact CB-CD1 4.03Å; K435-Y592 HydrophobicContact CD-CD1 3.65Å; K435-Y592 HydrophobicContact CD-CE1 3.75Å
436	K	65	Low	71.5	Confident	60 Å²	60	34.4 Å²	34.4	26%	0.261	20%	0.203	S	C	.	.	H	α-helix	trans	-66.4	-34.3	167.2	-89.7	-179.9	164.3	146	0	110.9	A432 L433 F440 P591 T593	A432-K436 WeakPolarHBondContact O-CA 3.38Å; A432-K436 WeakPolarHBondContact O-CB 3.37Å; A432-K436 VanDerWaalsContact O-CG 3.26Å; A432-K436 WeakPolarHBondContact O-CG 3.26Å; A432-K436 PolarHBondContact O-N 3.35Å; L433-K436 PolarHBondContact O-N 3.12Å; K436-F440 WeakPolarHBondContact O-CB 3.41Å; K436-F440 PolarHBondContact O-N 2.97Å; K436-P591 WeakPolarHBondContact CD-O 3.33Å; K436-P591 WeakPolarHBondContact CE-O 3.29Å; K436-P591 WeakPolarHBondContact CG-O 3.14Å; K436-P591 PolarHBondContact NZ-O 2.92Å; K436-T593 VanDerWaalsContact CE-C 3.42Å; K436-T593 WeakPolarHBondContact CE-O 3.3Å
437	H	78	Confident	73.1	Confident	3 Å²	3	32.8 Å²	32.8	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-75	-42.6	179.5	-165.5	72.4	0	0	0	111.2	L417 L433 L434 K435 F440 E441 T490 R493 R494 L497	L417-H437 WeakPolarHBondContact CD2-NE2 3.48Å; L433-H437 WeakPolarHBondContact O-CB 3.39Å; L433-H437 PolarHBondContact O-N 3.06Å; L434-H437 CarbonylContact O-C 3.53Å; L434-H437 WeakPolarHBondContact O-CA 3.39Å; L434-H437 WeakPolarHBondContact O-CB 3.47Å; L434-H437 PolarHBondContact O-N 3.49Å; L434-H437 VanDerWaalsContact O-N 3.1Å; K435-H437 VanDerWaalsContact C-N 3.27Å; H437-F440 CarbonylContact O-C 3.53Å; H437-F440 PolarHBondContact O-N 3.36Å; H437-E441 IonicContact CD2-OE1 2.84Å; H437-E441 PolarHBondContact CD2-OE1 3.17Å; H437-E441 VanDerWaalsContact CD2-OE1 3.22Å; H437-E441 WeakPolarHBondContact O-CG 3.46Å; H437-E441 PolarHBondContact O-N 3.06Å; H437-T490 WeakPolarHBondContact NE2-CA 3.49Å; H437-T490 WeakPolarHBondContact NE2-CB 3.22Å; H437-T490 WeakPolarHBondContact NE2-CG2 3.32Å; H437-T490 PolarHBondContact NE2-O 3.42Å; H437-R493 VanDerWaalsContact CE1-CD 3.44Å; H437-R493 WeakPolarHBondContact CE1-CD 3.49Å; H437-R493 PolarHBondContact CE1-NE 3.25Å; H437-R493 VanDerWaalsContact NE2-CB 3.31Å; H437-R493 WeakPolarHBondContact NE2-CB 3.32Å; H437-R494 VanDerWaalsContact CD2-CA 3.49Å; H437-R494 WeakPolarHBondContact CD2-CA 3.46Å; H437-L497 HydrophobicContact CB-CD1 3.57Å
438	E	78.5	Confident	74.8	Confident	106 Å²	106	36.1 Å²	36.1	50%	0.495	21%	0.208	S	C	.	.	H	α-helix	trans	-62.7	-40.9	168.9	-176.5	177.2	-144.4	0	0	112.1	L434 E441 S442	L434-E438 WeakPolarHBondContact O-CB 3.37Å; L434-E438 PolarHBondContact O-N 2.89Å; E438-E441 PolarHBondContact O-N 3.38Å; E438-S442 PolarHBondContact O-N 3.11Å
439	A	65.5	Low	76.4	Confident	43 Å²	43	40.5 Å²	40.5	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-67.3	-37.1	173.4	0	0	0	0	0	112	K435 S442 D443	K435-A439 WeakPolarHBondContact O-CB 3.39Å; K435-A439 PolarHBondContact O-N 3.2Å; A439-S442 PolarHBondContact O-N 2.94Å; A439-D443 VanDerWaalsContact O-CB 3.31Å; A439-D443 WeakPolarHBondContact O-CB 3.41Å; A439-D443 PolarHBondContact O-N 2.83Å
440	F	82.9	Confident	77.6	Confident	11 Å²	11	38.6 Å²	38.6	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-37.2	172.5	177.9	-95.3	0	0	0	111.5	W409 K413 M416 L417 K436 H437 D443 L444 T490	W409-F440 HydrophobicContact CZ2-CE2 4.31Å; K413-F440 HydrophobicContact CB-CE2 4.33Å; K413-F440 HydrophobicContact CB-CZ 4.39Å; K413-F440 HydrophobicContact CD-CE2 3.89Å; K413-F440 HydrophobicContact CG-CE2 4.33Å; M416-F440 HydrophobicContact CE-CD2 3.99Å; M416-F440 HydrophobicContact CE-CE2 4.49Å; M416-F440 HydrophobicContact CE-CG 4.13Å; L417-F440 HydrophobicContact CD1-CE1 3.89Å; L417-F440 HydrophobicContact CD1-CZ 4.21Å; L417-F440 HydrophobicContact CD2-CD1 3.97Å; L417-F440 HydrophobicContact CD2-CE1 3.84Å; L417-F440 HydrophobicContact CG-CE1 4.23Å; K436-F440 WeakPolarHBondContact O-CB 3.41Å; K436-F440 PolarHBondContact O-N 2.97Å; H437-F440 CarbonylContact O-C 3.53Å; H437-F440 PolarHBondContact O-N 3.36Å; F440-D443 PolarHBondContact O-N 3.28Å; F440-L444 HydrophobicContact CE1-CB 4.49Å; F440-L444 HydrophobicContact CE1-CD2 4.35Å; F440-L444 WeakPolarHBondContact O-CB 3.42Å; F440-L444 PolarHBondContact O-N 2.86Å; F440-T490 HydrophobicContact CD1-CG2 3.99Å; F440-T490 HydrophobicContact CE1-CG2 4.17Å; F440-T490 WeakPolarHBondContact CE1-OG1 3.25Å
441	E	83.7	Confident	78.8	Confident	46 Å²	46	39 Å²	39	22%	0.215	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-37.4	171.2	-79.7	176.6	-146.7	0	0	112.2	H437 E438 A445 T490 R494	H437-E441 IonicContact CD2-OE1 2.84Å; H437-E441 PolarHBondContact CD2-OE1 3.17Å; H437-E441 VanDerWaalsContact CD2-OE1 3.22Å; H437-E441 WeakPolarHBondContact O-CG 3.46Å; H437-E441 PolarHBondContact O-N 3.06Å; E438-E441 PolarHBondContact O-N 3.38Å; E441-A445 VanDerWaalsContact O-CB 3.28Å; E441-A445 WeakPolarHBondContact O-CB 3.41Å; E441-A445 PolarHBondContact O-N 3.3Å; E441-T490 HydrophobicContact CG-CG2 3.26Å; E441-R494 VanDerWaalsContact CD-NE 3.3Å; E441-R494 IonicContact OE1-CZ 2.63Å; E441-R494 IonicContact OE1-NE 2.87Å; E441-R494 PolarHBondContact OE1-NE 2.79Å; E441-R494 IonicContact OE1-NH2 2.72Å; E441-R494 IonicContact OE2-CZ 3.18Å; E441-R494 VanDerWaalsContact OE2-CZ 3.25Å; E441-R494 IonicContact OE2-NE 2.71Å; E441-R494 PolarHBondContact OE2-NE 3.17Å; E441-R494 IonicContact OE2-NH2 2.93Å; E441-R494 PolarHBondContact OE2-NH2 2.94Å
442	S	81	Confident	80.1	Confident	82 Å²	82	43.7 Å²	43.7	57%	0.573	25%	0.246	S	C	*	.	H	α-helix	trans	-70.6	-32.7	173.6	-171.4	0	0	0	0	112.9	E438 A439 A446	E438-S442 PolarHBondContact O-N 3.11Å; A439-S442 PolarHBondContact O-N 2.94Å; S442-A446 PolarHBondContact O-N 3.09Å; S442-A446 VanDerWaalsContact O-N 3.13Å
443	D	78.2	Confident	81.9	Confident	23 Å²	23	47 Å²	47	12%	0.123	26%	0.261	C	S	.	.	H	α-helix	trans	-68	-50.7	173.3	-167.3	52	0	0	0	109.9	W409 K413 A439 F440 A445 A446 H447	W409-D443 WeakPolarHBondContact CZ2-OD2 3.46Å; W409-D443 PolarHBondContact NE1-OD2 3.06Å; K413-D443 IonicContact NZ-OD2 3Å; A439-D443 VanDerWaalsContact O-CB 3.31Å; A439-D443 WeakPolarHBondContact O-CB 3.41Å; A439-D443 PolarHBondContact O-N 2.83Å; F440-D443 PolarHBondContact O-N 3.28Å; D443-A445 VanDerWaalsContact C-N 3.32Å; D443-A445 PolarHBondContact O-N 3Å; D443-A446 WeakPolarHBondContact O-CA 3.39Å; D443-A446 WeakPolarHBondContact O-CB 3.27Å; D443-A446 PolarHBondContact O-N 3.39Å; D443-H447 PolarHBondContact O-CD2 3.12Å; D443-H447 PolarHBondContact O-N 3.25Å; D443-H447 IonicContact OD1-CD2 2.72Å; D443-H447 IonicContact OD1-NE2 3.92Å
444	L	85.5	Confident	83.1	Confident	20 Å²	20	46 Å²	46	11%	0.105	26%	0.257	C	S	.	.	H	α-helix	trans	-54.4	-45.6	172.2	-174.4	70.9	0	0	0	111	W409 F440 A446 H447 Q448 W483 L486	W409-L444 HydrophobicContact CH2-CD1 3.83Å; W409-L444 HydrophobicContact CZ3-CD1 4.5Å; F440-L444 HydrophobicContact CE1-CB 4.49Å; F440-L444 HydrophobicContact CE1-CD2 4.35Å; F440-L444 WeakPolarHBondContact O-CB 3.42Å; F440-L444 PolarHBondContact O-N 2.86Å; L444-A446 VanDerWaalsContact C-N 3.29Å; L444-A446 PolarHBondContact O-N 3.27Å; L444-H447 PolarHBondContact O-N 3.35Å; L444-Q448 PolarHBondContact O-N 2.84Å; L444-W483 HydrophobicContact CD1-CD2 4.43Å; L444-W483 HydrophobicContact CD1-CE3 4.05Å; L444-W483 HydrophobicContact CD1-CH2 3.56Å; L444-W483 HydrophobicContact CD1-CZ2 3.94Å; L444-W483 HydrophobicContact CD1-CZ3 3.61Å; L444-W483 HydrophobicContact CG-CH2 4.15Å; L444-W483 HydrophobicContact CG-CZ2 4.25Å; L444-W483 WeakPolarHBondContact O-CH2 3.43Å; L444-W483 VanDerWaalsContact O-CZ2 3.32Å; L444-W483 WeakPolarHBondContact O-CZ2 3.08Å; L444-L486 HydrophobicContact CD1-CB 4.4Å
445	A	87.8	Confident	84.2	Confident	69 Å²	69	46.8 Å²	46.8	57%	0.57	27%	0.266	S	S	*	.	H	α-helix	trans	-62.5	-33.6	175.4	0	0	0	0	0	113.1	E441 D443 Q448	E441-A445 VanDerWaalsContact O-CB 3.28Å; E441-A445 WeakPolarHBondContact O-CB 3.41Å; E441-A445 PolarHBondContact O-N 3.3Å; D443-A445 VanDerWaalsContact C-N 3.32Å; D443-A445 PolarHBondContact O-N 3Å; A445-Q448 WeakPolarHBondContact O-CB 3.47Å
446	A	84.5	Confident	85.8	Confident	61 Å²	61	47.3 Å²	47.3	50%	0.504	28%	0.278	S	S	.	.	H	α-helix	trans	-73.4	-29.3	176.3	0	0	0	0	0	113.1	S442 D443 L444 Q448	S442-A446 PolarHBondContact O-N 3.09Å; S442-A446 VanDerWaalsContact O-N 3.13Å; D443-A446 WeakPolarHBondContact O-CA 3.39Å; D443-A446 WeakPolarHBondContact O-CB 3.27Å; D443-A446 PolarHBondContact O-N 3.39Å; L444-A446 VanDerWaalsContact C-N 3.29Å; L444-A446 PolarHBondContact O-N 3.27Å; A446-Q448 VanDerWaalsContact C-N 3.35Å
447	H	89.1	Confident	87.3	Confident	9 Å²	9	45.3 Å²	45.3	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-82.3	-7.8	177.6	-73	-68	0	0	0	114.4	W409 D443 L444 D449 R450 V451 W483 E526	W409-H447 AromaticContact CD1-CD2 3.97Å; W409-H447 AromaticContact CD1-CE1 3.8Å; W409-H447 AromaticContact CD1-NE2 3.38Å; W409-H447 AromaticContact CD2-CD2 3.84Å; W409-H447 AromaticContact CE2-CD2 3.21Å; W409-H447 AromaticContact CE2-CG 3.92Å; W409-H447 AromaticContact CE2-NE2 3.48Å; W409-H447 HydrophobicContact CH2-CB 4.34Å; W409-H447 HydrophobicContact CZ2-CB 4.45Å; W409-H447 AromaticContact CZ2-CD2 3.35Å; W409-H447 WeakPolarHBondContact CZ2-CD2 3.48Å; W409-H447 HydrophobicContact CZ3-CB 4.46Å; W409-H447 AromaticContact NE1-CD2 3.29Å; W409-H447 PolarHBondContact NE1-CD2 3.47Å; W409-H447 VanDerWaalsContact NE1-CD2 3.29Å; W409-H447 AromaticContact NE1-CE1 3.87Å; W409-H447 AromaticContact NE1-NE2 3.02Å; W409-H447 PolarHBondContact NE1-NE2 3.23Å; D443-H447 PolarHBondContact O-CD2 3.12Å; D443-H447 PolarHBondContact O-N 3.25Å; D443-H447 IonicContact OD1-CD2 2.72Å; D443-H447 IonicContact OD1-NE2 3.92Å; L444-H447 PolarHBondContact O-N 3.35Å; H447-D449 PolarHBondContact O-N 3.43Å; H447-R450 PolarHBondContact CE1-NH1 2.96Å; H447-R450 PolarHBondContact ND1-NH1 2.97Å; H447-R450 VanDerWaalsContact ND1-NH1 3.12Å; H447-R450 PolarHBondContact O-N 3.02Å; H447-V451 PolarHBondContact O-N 2.83Å; H447-W483 VanDerWaalsContact C-CH2 3.48Å; H447-W483 HydrophobicContact CB-CH2 3.62Å; H447-W483 HydrophobicContact CB-CZ3 3.92Å; H447-E526 IonicContact CE1-OE2 2.89Å
448	Q	91.2	Very high	88.1	Confident	73 Å²	73	45.3 Å²	45.3	34%	0.341	27%	0.271	S	S	.	.	H	α-helix	trans	-53.2	-50	176.3	177.9	66.5	28.8	0	0	112.1	L444 A445 A446 R450 V451 E452 W483	L444-Q448 PolarHBondContact O-N 2.84Å; A445-Q448 WeakPolarHBondContact O-CB 3.47Å; A446-Q448 VanDerWaalsContact C-N 3.35Å; Q448-R450 VanDerWaalsContact C-N 3.26Å; Q448-R450 PolarHBondContact O-N 3.17Å; Q448-V451 WeakPolarHBondContact O-CB 3.39Å; Q448-V451 PolarHBondContact O-N 3.24Å; Q448-E452 WeakPolarHBondContact CG-OE1 3.24Å; Q448-E452 PolarHBondContact NE2-OE1 3.23Å; Q448-E452 PolarHBondContact O-N 3.07Å; Q448-W483 HydrophobicContact CB-CZ2 4.02Å
449	D	90.2	Very high	89	Confident	93 Å²	93	45.8 Å²	45.8	50%	0.497	27%	0.273	S	S	.	.	H	α-helix	trans	-59.1	-37.1	-179.3	-177.7	87.5	0	0	0	111.9	H447 V451 E452 Q453	H447-D449 PolarHBondContact O-N 3.43Å; D449-V451 VanDerWaalsContact C-N 3.35Å; D449-V451 PolarHBondContact O-N 2.91Å; D449-E452 PolarHBondContact O-N 3.01Å; D449-Q453 WeakPolarHBondContact O-CG 3.22Å; D449-Q453 PolarHBondContact O-N 3.43Å; D449-Q453 PolarHBondContact OD2-NE2 3.01Å
450	R	90.5	Very high	90.4	Very high	20 Å²	20	46.2 Å²	46.2	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-36.3	175.7	-165.9	-175.5	-69	149.6	1.7	112	H447 Q448 I454 E530	H447-R450 PolarHBondContact CE1-NH1 2.96Å; H447-R450 PolarHBondContact ND1-NH1 2.97Å; H447-R450 VanDerWaalsContact ND1-NH1 3.12Å; H447-R450 PolarHBondContact O-N 3.02Å; Q448-R450 VanDerWaalsContact C-N 3.26Å; Q448-R450 PolarHBondContact O-N 3.17Å; R450-I454 HydrophobicContact CG-CD1 4.23Å; R450-I454 WeakPolarHBondContact O-CD1 3.45Å; R450-I454 WeakPolarHBondContact O-CG1 3.42Å; R450-I454 PolarHBondContact O-N 3.31Å; R450-E530 IonicContact CZ-OE2 3.96Å; R450-E530 IonicContact NE-OE1 2.79Å; R450-E530 IonicContact NE-OE2 3.7Å; R450-E530 PolarHBondContact NE-OE2 3.27Å; R450-E530 IonicContact NH2-OE2 2.93Å; R450-E530 PolarHBondContact NH2-OE2 2.87Å
451	V	94	Very high	91	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-68.6	-43.5	175.6	179.2	0	0	0	0	110.6	H406 H447 Q448 D449 Q453 I454 A455 I479 W483	H406-V451 WeakPolarHBondContact CE1-CG2 2.95Å; H447-V451 PolarHBondContact O-N 2.83Å; Q448-V451 WeakPolarHBondContact O-CB 3.39Å; Q448-V451 PolarHBondContact O-N 3.24Å; D449-V451 VanDerWaalsContact C-N 3.35Å; D449-V451 PolarHBondContact O-N 2.91Å; V451-Q453 PolarHBondContact O-N 2.96Å; V451-I454 PolarHBondContact O-N 2.7Å; V451-A455 PolarHBondContact O-N 2.81Å; V451-I479 HydrophobicContact CG1-CG2 4.49Å; V451-W483 HydrophobicContact CG1-CG 4.44Å; V451-W483 HydrophobicContact CG2-CD2 3.79Å; V451-W483 HydrophobicContact CG2-CE3 3.66Å; V451-W483 HydrophobicContact CG2-CG 4.29Å; V451-W483 HydrophobicContact CG2-CH2 4.27Å; V451-W483 HydrophobicContact CG2-CZ2 4.43Å; V451-W483 HydrophobicContact CG2-CZ3 3.91Å
452	E	94.3	Very high	91.6	Very high	106 Å²	106	46.1 Å²	46.1	50%	0.495	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-42.8	175.7	-68.6	178.4	-165.4	0	0	111.6	Q448 D449 A455 A456	Q448-E452 WeakPolarHBondContact CG-OE1 3.24Å; Q448-E452 PolarHBondContact NE2-OE1 3.23Å; Q448-E452 PolarHBondContact O-N 3.07Å; D449-E452 PolarHBondContact O-N 3.01Å; E452-A455 PolarHBondContact O-N 3.07Å; E452-A456 WeakPolarHBondContact O-CB 3.35Å; E452-A456 PolarHBondContact O-N 3.29Å
453	Q	94.2	Very high	92.3	Very high	68 Å²	68	48.6 Å²	48.6	32%	0.318	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-42.9	173.2	-71.8	-177.4	29.9	0	0	113	D449 V451 A455 A456 I457	D449-Q453 WeakPolarHBondContact O-CG 3.22Å; D449-Q453 PolarHBondContact O-N 3.43Å; D449-Q453 PolarHBondContact OD2-NE2 3.01Å; V451-Q453 PolarHBondContact O-N 2.96Å; Q453-A455 VanDerWaalsContact C-N 3.33Å; Q453-A455 PolarHBondContact O-N 3.46Å; Q453-A456 PolarHBondContact O-N 3.1Å; Q453-I457 VanDerWaalsContact O-CG1 3.27Å; Q453-I457 WeakPolarHBondContact O-CG1 3.44Å; Q453-I457 PolarHBondContact O-N 3.45Å
454	I	95.7	Very high	93	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-43.3	177.6	-72.1	162.4	0	0	0	110.5	F399 K402 H406 R450 V451 A458 I479	F399-I454 HydrophobicContact CD2-CG2 4.15Å; F399-I454 HydrophobicContact CE2-CG2 3.68Å; K402-I454 HydrophobicContact CB-CD1 4.31Å; K402-I454 HydrophobicContact CB-CG1 3.84Å; H406-I454 HydrophobicContact CB-CD1 3.67Å; R450-I454 HydrophobicContact CG-CD1 4.23Å; R450-I454 WeakPolarHBondContact O-CD1 3.45Å; R450-I454 WeakPolarHBondContact O-CG1 3.42Å; R450-I454 PolarHBondContact O-N 3.31Å; V451-I454 PolarHBondContact O-N 2.7Å; I454-A458 WeakPolarHBondContact O-CB 3.34Å; I454-A458 PolarHBondContact O-N 2.86Å; I454-I479 HydrophobicContact CG2-CD1 4.3Å
455	A	95.8	Very high	93.2	Very high	36 Å²	36	54.9 Å²	54.9	30%	0.298	31%	0.305	S	S	.	.	H	α-helix	trans	-65.2	-42.3	176.6	0	0	0	0	0	112.4	V451 E452 Q453 A458 Q459	V451-A455 PolarHBondContact O-N 2.81Å; E452-A455 PolarHBondContact O-N 3.07Å; Q453-A455 VanDerWaalsContact C-N 3.33Å; Q453-A455 PolarHBondContact O-N 3.46Å; A455-A458 PolarHBondContact O-N 3.02Å; A455-Q459 PolarHBondContact O-N 3.44Å
456	A	96.5	Very high	93.5	Very high	55 Å²	55	52.3 Å²	52.3	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-44.6	176.9	0	0	0	0	0	112.5	E452 Q453 A458 Q459 E460	E452-A456 WeakPolarHBondContact O-CB 3.35Å; E452-A456 PolarHBondContact O-N 3.29Å; Q453-A456 PolarHBondContact O-N 3.1Å; A456-A458 VanDerWaalsContact C-N 3.35Å; A456-A458 PolarHBondContact O-N 3.2Å; A456-Q459 PolarHBondContact O-N 3.44Å; A456-E460 PolarHBondContact O-N 3.29Å
457	I	95.6	Very high	93.8	Very high	18 Å²	18	56.1 Å²	56.1	9%	0.092	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-40	176.6	-63.3	163.1	0	0	0	110.7	L395 K398 F399 K402 Q453 Q459 E460 L461	L395-I457 HydrophobicContact CB-CG2 4.38Å; L395-I457 HydrophobicContact CD2-CG2 4.27Å; K398-I457 HydrophobicContact CD-CD1 4.39Å; K398-I457 HydrophobicContact CG-CD1 4.11Å; F399-I457 HydrophobicContact CB-CG2 3.84Å; K402-I457 HydrophobicContact CD-CD1 4.02Å; Q453-I457 VanDerWaalsContact O-CG1 3.27Å; Q453-I457 WeakPolarHBondContact O-CG1 3.44Å; Q453-I457 PolarHBondContact O-N 3.45Å; I457-Q459 VanDerWaalsContact C-N 3.34Å; I457-E460 PolarHBondContact O-N 3.44Å; I457-L461 HydrophobicContact CG2-CD1 4.23Å; I457-L461 WeakPolarHBondContact O-CG 3.48Å; I457-L461 PolarHBondContact O-N 3.01Å
458	A	96.3	Very high	94	Very high	3 Å²	3	58.4 Å²	58.4	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-43.4	174.3	0	0	0	0	0	111.4	F399 I454 A455 A456 L461 N462 V472 C476	F399-A458 HydrophobicContact CD2-CB 4.25Å; F399-A458 HydrophobicContact CE2-CB 3.92Å; I454-A458 WeakPolarHBondContact O-CB 3.34Å; I454-A458 PolarHBondContact O-N 2.86Å; A455-A458 PolarHBondContact O-N 3.02Å; A456-A458 VanDerWaalsContact C-N 3.35Å; A456-A458 PolarHBondContact O-N 3.2Å; A458-L461 PolarHBondContact O-N 3.43Å; A458-N462 PolarHBondContact O-N 3.39Å; A458-N462 PolarHBondContact O-ND2 2.86Å; A458-V472 HydrophobicContact CB-CG1 3.84Å; A458-C476 HydrophobicContact CB-CB 3.96Å
459	Q	96.2	Very high	94.2	Very high	117 Å²	117	55.5 Å²	55.5	55%	0.547	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-47.2	175	-175.6	-179.6	-31.6	0	0	111.7	A455 A456 I457 L461 N462 E463	A455-Q459 PolarHBondContact O-N 3.44Å; A456-Q459 PolarHBondContact O-N 3.44Å; I457-Q459 VanDerWaalsContact C-N 3.34Å; Q459-L461 VanDerWaalsContact C-N 3.29Å; Q459-L461 PolarHBondContact O-N 3.4Å; Q459-N462 WeakPolarHBondContact O-CA 3.41Å; Q459-N462 WeakPolarHBondContact O-CB 3.24Å; Q459-N462 PolarHBondContact O-N 3.02Å; Q459-E463 HydrophobicContact CG-CG 4.46Å; Q459-E463 WeakPolarHBondContact CG-OE1 3.41Å; Q459-E463 PolarHBondContact NE2-OE1 2.94Å; Q459-E463 PolarHBondContact O-N 3.28Å
460	E	95.7	Very high	94.4	Very high	52 Å²	52	55.5 Å²	55.5	24%	0.243	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-37.6	178.3	-168.8	-178.6	161	0	0	112.2	R391 L395 A456 I457 N462 E463 L464	R391-E460 IonicContact CZ-OE1 2.65Å; R391-E460 IonicContact NE-OE1 2.81Å; R391-E460 PolarHBondContact NE-OE1 2.96Å; R391-E460 IonicContact NH2-OE1 2.84Å; R391-E460 PolarHBondContact NH2-OE1 3.5Å; L395-E460 HydrophobicContact CD1-CB 4.48Å; L395-E460 HydrophobicContact CD1-CG 3.84Å; L395-E460 WeakPolarHBondContact CD1-OE1 3.41Å; A456-E460 PolarHBondContact O-N 3.29Å; I457-E460 PolarHBondContact O-N 3.44Å; E460-N462 VanDerWaalsContact C-N 3.32Å; E460-N462 PolarHBondContact O-N 3.06Å; E460-E463 PolarHBondContact O-N 3.45Å; E460-L464 HydrophobicContact CG-CD1 4.24Å; E460-L464 WeakPolarHBondContact O-CB 3.32Å; E460-L464 WeakPolarHBondContact O-CG 3.29Å; E460-L464 PolarHBondContact O-N 2.87Å; E460-L464 VanDerWaalsContact O-N 3.08Å
461	L	96.3	Very high	94.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-34.6	173.1	-76.7	167	0	0	0	112.9	L392 L395 A396 F399 I457 A458 Q459 Y466 V472	L392-L461 HydrophobicContact CD2-CD2 3.75Å; L395-L461 HydrophobicContact CB-CD2 3.6Å; L395-L461 HydrophobicContact CB-CG 3.96Å; L395-L461 HydrophobicContact CD1-CD2 4.44Å; A396-L461 HydrophobicContact CB-CD2 4.32Å; F399-L461 HydrophobicContact CB-CD1 4.08Å; F399-L461 HydrophobicContact CG-CD1 4.42Å; I457-L461 HydrophobicContact CG2-CD1 4.23Å; I457-L461 WeakPolarHBondContact O-CG 3.48Å; I457-L461 PolarHBondContact O-N 3.01Å; A458-L461 PolarHBondContact O-N 3.43Å; Q459-L461 VanDerWaalsContact C-N 3.29Å; Q459-L461 PolarHBondContact O-N 3.4Å; L461-Y466 HydrophobicContact CD2-CD1 4.19Å; L461-Y466 HydrophobicContact CD2-CD2 4.32Å; L461-Y466 HydrophobicContact CD2-CG 3.94Å; L461-Y466 WeakPolarHBondContact O-CB 3.48Å; L461-Y466 PolarHBondContact O-N 3.32Å; L461-V472 HydrophobicContact CD1-CG1 3.97Å; L461-V472 HydrophobicContact CD1-CG2 4.31Å
462	N	94.7	Very high	94.8	Very high	55 Å²	55	57.5 Å²	57.5	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-72.2	-43.4	173.4	-72.3	-90.2	0	0	0	111.8	A458 Q459 E460 L464 D465 N473	A458-N462 PolarHBondContact O-N 3.39Å; A458-N462 PolarHBondContact O-ND2 2.86Å; Q459-N462 WeakPolarHBondContact O-CA 3.41Å; Q459-N462 WeakPolarHBondContact O-CB 3.24Å; Q459-N462 PolarHBondContact O-N 3.02Å; E460-N462 VanDerWaalsContact C-N 3.32Å; E460-N462 PolarHBondContact O-N 3.06Å; N462-L464 PolarHBondContact O-N 2.78Å; N462-D465 PolarHBondContact O-N 3.44Å; N462-N473 PolarHBondContact ND2-ND2 3.37Å; N462-N473 PolarHBondContact ND2-OD1 2.87Å; N462-N473 PolarHBondContact OD1-ND2 3.16Å
463	E	95.4	Very high	94.9	Very high	134 Å²	134	55.3 Å²	55.3	63%	0.626	30%	0.297	S	S	*	.	H	α-helix	trans	-62.4	-24.4	179.2	-70.7	177.7	-171.6	0	0	112.6	Q459 E460	Q459-E463 HydrophobicContact CG-CG 4.46Å; Q459-E463 WeakPolarHBondContact CG-OE1 3.41Å; Q459-E463 PolarHBondContact NE2-OE1 2.94Å; Q459-E463 PolarHBondContact O-N 3.28Å; E460-E463 PolarHBondContact O-N 3.45Å
464	L	93.3	Very high	95.1	Very high	40 Å²	40	55.2 Å²	55.2	21%	0.209	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	11.5	174.6	-67.2	174.1	0	0	0	113.8	R388 R391 L392 L395 E460 N462 Y466	R388-L464 PolarHBondContact NH1-O 2.95Å; R391-L464 HydrophobicContact CG-CD1 4.14Å; L392-L464 HydrophobicContact CD2-CB 3.52Å; L392-L464 HydrophobicContact CD2-CD1 4.09Å; L392-L464 HydrophobicContact CD2-CG 4.48Å; L392-L464 HydrophobicContact CG-CB 4.21Å; L395-L464 HydrophobicContact CD1-CD1 3.67Å; E460-L464 HydrophobicContact CG-CD1 4.24Å; E460-L464 WeakPolarHBondContact O-CB 3.32Å; E460-L464 WeakPolarHBondContact O-CG 3.29Å; E460-L464 PolarHBondContact O-N 2.87Å; E460-L464 VanDerWaalsContact O-N 3.08Å; N462-L464 PolarHBondContact O-N 2.78Å; L464-Y466 PolarHBondContact O-N 2.99Å
465	D	91.1	Very high	95.2	Very high	135 Å²	135	58.1 Å²	58.1	72%	0.722	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	50.7	-179.1	-70.2	-50.5	0	0	0	113.3	R388 N462	R388-D465 PolarHBondContact NH1-O 2.72Å; N462-D465 PolarHBondContact O-N 3.44Å
466	Y	93.1	Very high	95.2	Very high	14 Å²	14	57 Å²	57	6%	0.055	31%	0.309	C	S	.	.			trans	-67.6	131.6	175.2	-179.4	-119.3	0	0	0	111.6	L392 A396 L461 L464 D468 S469 V472	L392-Y466 HydrophobicContact CB-CD2 4.2Å; L392-Y466 HydrophobicContact CD1-CD2 4.32Å; L392-Y466 HydrophobicContact CD2-CD2 4.04Å; L392-Y466 HydrophobicContact CD2-CG 4.23Å; L392-Y466 HydrophobicContact CG-CD2 4.44Å; A396-Y466 HydrophobicContact CB-CE1 4.28Å; A396-Y466 HydrophobicContact CB-CE2 4.04Å; L461-Y466 HydrophobicContact CD2-CD1 4.19Å; L461-Y466 HydrophobicContact CD2-CD2 4.32Å; L461-Y466 HydrophobicContact CD2-CG 3.94Å; L461-Y466 WeakPolarHBondContact O-CB 3.48Å; L461-Y466 PolarHBondContact O-N 3.32Å; L464-Y466 PolarHBondContact O-N 2.99Å; Y466-D468 VanDerWaalsContact C-N 3.28Å; Y466-D468 HydrophobicContact CD1-CB 4.25Å; Y466-D468 HydrophobicContact CE1-CB 3.58Å; Y466-D468 PolarHBondContact O-N 3.12Å; Y466-S469 WeakPolarHBondContact CB-OG 3.24Å; Y466-S469 VanDerWaalsContact O-CB 3.27Å; Y466-S469 WeakPolarHBondContact O-CB 3.37Å; Y466-S469 PolarHBondContact O-N 2.84Å; Y466-S469 PolarHBondContact O-OG 2.85Å; Y466-V472 HydrophobicContact CD1-CG2 4.13Å; Y466-V472 HydrophobicContact CE1-CG2 3.9Å
467	Y	90.4	Very high	95.2	Very high	142 Å²	142	59.6 Å²	59.6	56%	0.557	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.8	-171.4	75.1	-91.1	0	0	0	114.2
468	D	93.2	Very high	95.3	Very high	57 Å²	57	65.3 Å²	65.3	31%	0.305	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	22.2	178.8	-167.9	42	0	0	0	112.6	Y466 P470 S471 V472	Y466-D468 VanDerWaalsContact C-N 3.28Å; Y466-D468 HydrophobicContact CD1-CB 4.25Å; Y466-D468 HydrophobicContact CE1-CB 3.58Å; Y466-D468 PolarHBondContact O-N 3.12Å; D468-P470 VanDerWaalsContact C-N 3.26Å; D468-S471 PolarHBondContact O-N 3.33Å; D468-S471 WeakPolarHBondContact OD1-CB 3.48Å; D468-S471 PolarHBondContact OD1-OG 3.36Å; D468-S471 WeakPolarHBondContact OD2-CB 3.43Å; D468-V472 PolarHBondContact O-N 3.36Å; D468-V472 VanDerWaalsContact O-N 3.13Å
469	S	94.8	Very high	95.2	Very high	12 Å²	12	65.3 Å²	65.3	8%	0.084	34%	0.335	C	S	.	.	H	α-helix	trans	-48.3	-39.3	171	-66.2	0	0	0	0	113.8	Y466 S471 V472 N473	Y466-S469 WeakPolarHBondContact CB-OG 3.24Å; Y466-S469 VanDerWaalsContact O-CB 3.27Å; Y466-S469 WeakPolarHBondContact O-CB 3.37Å; Y466-S469 PolarHBondContact O-N 2.84Å; Y466-S469 PolarHBondContact O-OG 2.85Å; S469-S471 VanDerWaalsContact C-N 3.31Å; S469-S471 PolarHBondContact O-N 2.82Å; S469-V472 PolarHBondContact O-N 3.4Å; S469-N473 VanDerWaalsContact O-CB 3.31Å; S469-N473 WeakPolarHBondContact O-CB 3.36Å; S469-N473 PolarHBondContact O-N 3.19Å; S469-N473 PolarHBondContact O-ND2 2.94Å
470	P	96	Very high	95.2	Very high	92 Å²	92	61.3 Å²	61.3	60%	0.597	32%	0.32	S	S	*	.	H	α-helix	trans	-58	-39.5	176.7	-26.8	36.9	0	0	0	113.9	D468 A474	D468-P470 VanDerWaalsContact C-N 3.26Å; P470-A474 WeakPolarHBondContact O-CB 3.19Å; P470-A474 PolarHBondContact O-N 3.43Å
471	S	95.9	Very high	95.1	Very high	62 Å²	62	63.2 Å²	63.2	43%	0.434	33%	0.332	S	S	.	.	H	α-helix	trans	-75.1	-39.8	178.5	-54.8	0	0	0	0	111.8	D468 S469 A474 R475	D468-S471 PolarHBondContact O-N 3.33Å; D468-S471 WeakPolarHBondContact OD1-CB 3.48Å; D468-S471 PolarHBondContact OD1-OG 3.36Å; D468-S471 WeakPolarHBondContact OD2-CB 3.43Å; S469-S471 VanDerWaalsContact C-N 3.31Å; S469-S471 PolarHBondContact O-N 2.82Å; S471-A474 PolarHBondContact O-N 3.31Å; S471-R475 WeakPolarHBondContact O-CB 3.42Å; S471-R475 PolarHBondContact O-N 2.56Å
472	V	96.6	Very high	95	Very high	9 Å²	9	65.4 Å²	65.4	6%	0.055	34%	0.342	C	S	.	.	H	α-helix	trans	-57.6	-48.9	173	170.4	0	0	0	0	110.3	F399 A458 L461 Y466 D468 S469 R475 C476	F399-V472 HydrophobicContact CD1-CG1 4.08Å; F399-V472 HydrophobicContact CD1-CG2 4.21Å; F399-V472 HydrophobicContact CD2-CG1 4.2Å; F399-V472 HydrophobicContact CE1-CB 4.18Å; F399-V472 HydrophobicContact CE1-CG1 3.82Å; F399-V472 HydrophobicContact CE1-CG2 4.17Å; F399-V472 HydrophobicContact CE2-CG1 3.95Å; F399-V472 HydrophobicContact CG-CG1 4.27Å; F399-V472 HydrophobicContact CZ-CB 4.43Å; F399-V472 HydrophobicContact CZ-CG1 3.76Å; F399-V472 WeakPolarHBondContact CZ-O 3.46Å; A458-V472 HydrophobicContact CB-CG1 3.84Å; L461-V472 HydrophobicContact CD1-CG1 3.97Å; L461-V472 HydrophobicContact CD1-CG2 4.31Å; Y466-V472 HydrophobicContact CD1-CG2 4.13Å; Y466-V472 HydrophobicContact CE1-CG2 3.9Å; D468-V472 PolarHBondContact O-N 3.36Å; D468-V472 VanDerWaalsContact O-N 3.13Å; S469-V472 PolarHBondContact O-N 3.4Å; V472-R475 PolarHBondContact O-N 2.7Å; V472-C476 WeakPolarHBondContact O-CB 3.45Å; V472-C476 PolarHBondContact O-N 3.08Å
473	N	96.7	Very high	95	Very high	60 Å²	60	63.9 Å²	63.9	32%	0.321	33%	0.332	S	S	.	.	H	α-helix	trans	-64.4	-44.4	179.3	-68.9	-16.8	0	0	0	112.5	N462 S469 R475 C476 Q477	N462-N473 PolarHBondContact ND2-ND2 3.37Å; N462-N473 PolarHBondContact ND2-OD1 2.87Å; N462-N473 PolarHBondContact OD1-ND2 3.16Å; S469-N473 VanDerWaalsContact O-CB 3.31Å; S469-N473 WeakPolarHBondContact O-CB 3.36Å; S469-N473 PolarHBondContact O-N 3.19Å; S469-N473 PolarHBondContact O-ND2 2.94Å; N473-R475 VanDerWaalsContact C-N 3.28Å; N473-R475 PolarHBondContact O-N 3.1Å; N473-C476 PolarHBondContact O-N 2.97Å; N473-Q477 WeakPolarHBondContact O-CB 3.26Å; N473-Q477 PolarHBondContact O-N 2.93Å
474	A	97.4	Very high	94.9	Very high	67 Å²	67	63.1 Å²	63.1	55%	0.554	33%	0.332	S	S	*	.	H	α-helix	trans	-61.1	-38	176.9	0	0	0	0	0	112.1	P470 S471 K478	P470-A474 WeakPolarHBondContact O-CB 3.19Å; P470-A474 PolarHBondContact O-N 3.43Å; S471-A474 PolarHBondContact O-N 3.31Å; A474-K478 WeakPolarHBondContact O-CB 3.5Å; A474-K478 PolarHBondContact O-N 2.81Å
475	R	97.5	Very high	94.8	Very high	61 Å²	61	63.9 Å²	63.9	23%	0.23	34%	0.337	C	S	.	.	H	α-helix	trans	-70.9	-44.3	174.8	-168.4	-180	-172.1	-168.1	3	111.9	F399 S404 E407 S471 V472 N473 K478 I479	F399-R475 HydrophobicContact CE1-CB 4.42Å; F399-R475 HydrophobicContact CZ-CB 4.24Å; F399-R475 HydrophobicContact CZ-CG 4.48Å; S404-R475 PolarHBondContact OG-NH2 2.99Å; E407-R475 WeakPolarHBondContact OE1-CG 3.41Å; E407-R475 IonicContact OE1-CZ 3.17Å; E407-R475 IonicContact OE1-NE 3.27Å; E407-R475 PolarHBondContact OE1-NE 3.28Å; E407-R475 IonicContact OE1-NH2 2.8Å; E407-R475 IonicContact OE2-CZ 3.04Å; E407-R475 IonicContact OE2-NE 3.73Å; E407-R475 PolarHBondContact OE2-NE 3.25Å; E407-R475 IonicContact OE2-NH2 2.69Å; E407-R475 PolarHBondContact OE2-NH2 2.71Å; S471-R475 WeakPolarHBondContact O-CB 3.42Å; S471-R475 PolarHBondContact O-N 2.56Å; V472-R475 PolarHBondContact O-N 2.7Å; N473-R475 VanDerWaalsContact C-N 3.28Å; N473-R475 PolarHBondContact O-N 3.1Å; R475-K478 PolarHBondContact O-N 2.91Å; R475-I479 HydrophobicContact CG-CD1 4.39Å; R475-I479 WeakPolarHBondContact O-CG1 3.25Å; R475-I479 PolarHBondContact O-N 2.63Å; R475-I479 VanDerWaalsContact O-N 3.09Å
476	C	97.1	Very high	94.8	Very high	12 Å²	12	57.5 Å²	57.5	8%	0.081	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-46.9	178.9	-168.2	0	0	0	0	111.9	F399 A458 V472 N473 K478 I479 C480	F399-C476 HydrophobicContact CE2-CB 4.16Å; F399-C476 HydrophobicContact CZ-CB 4.24Å; A458-C476 HydrophobicContact CB-CB 3.96Å; V472-C476 WeakPolarHBondContact O-CB 3.45Å; V472-C476 PolarHBondContact O-N 3.08Å; N473-C476 PolarHBondContact O-N 2.97Å; C476-K478 VanDerWaalsContact C-N 3.31Å; C476-K478 PolarHBondContact O-N 2.95Å; C476-I479 WeakPolarHBondContact O-CB 3.5Å; C476-I479 PolarHBondContact O-N 3.4Å; C476-I479 VanDerWaalsContact O-N 3.1Å; C476-C480 PolarHBondContact O-N 3.4Å; C476-C480 PolarHBondContact O-SG 3.4Å; C476-C480 VanDerWaalsContact O-SG 3.36Å
477	Q	96.5	Very high	94.7	Very high	109 Å²	109	58.3 Å²	58.3	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-59.1	-43.5	177.1	-173.4	63.7	51.4	0	0	111.2	N473 I479 C480 D481	N473-Q477 WeakPolarHBondContact O-CB 3.26Å; N473-Q477 PolarHBondContact O-N 2.93Å; Q477-I479 VanDerWaalsContact C-N 3.28Å; Q477-I479 PolarHBondContact O-N 3.14Å; Q477-C480 PolarHBondContact O-N 3.49Å; Q477-D481 PolarHBondContact NE2-OD1 2.94Å; Q477-D481 WeakPolarHBondContact O-CB 3.42Å; Q477-D481 PolarHBondContact O-N 3.43Å
478	K	96.3	Very high	94.6	Very high	139 Å²	139	54.1 Å²	54.1	60%	0.604	31%	0.31	S	S	*	.	H	α-helix	trans	-60.4	-36.8	176.4	-174.5	-169.6	172.6	-158.5	0	112.5	A474 R475 C476 Q482	A474-K478 WeakPolarHBondContact O-CB 3.5Å; A474-K478 PolarHBondContact O-N 2.81Å; R475-K478 PolarHBondContact O-N 2.91Å; C476-K478 VanDerWaalsContact C-N 3.31Å; C476-K478 PolarHBondContact O-N 2.95Å; K478-Q482 VanDerWaalsContact O-CB 3.29Å; K478-Q482 WeakPolarHBondContact O-CB 3.16Å; K478-Q482 PolarHBondContact O-N 2.88Å; K478-Q482 VanDerWaalsContact O-N 3.08Å
479	I	95.8	Very high	94.5	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-66.1	-47.5	174.5	-72.8	168.2	0	0	0	110.3	A403 E407 V451 I454 R475 C476 Q477 Q482 W483	A403-I479 HydrophobicContact CB-CD1 3.85Å; E407-I479 HydrophobicContact CG-CD1 4.27Å; E407-I479 HydrophobicContact CG-CG1 4.3Å; V451-I479 HydrophobicContact CG1-CG2 4.49Å; I454-I479 HydrophobicContact CG2-CD1 4.3Å; R475-I479 HydrophobicContact CG-CD1 4.39Å; R475-I479 WeakPolarHBondContact O-CG1 3.25Å; R475-I479 PolarHBondContact O-N 2.63Å; R475-I479 VanDerWaalsContact O-N 3.09Å; C476-I479 WeakPolarHBondContact O-CB 3.5Å; C476-I479 PolarHBondContact O-N 3.4Å; C476-I479 VanDerWaalsContact O-N 3.1Å; Q477-I479 VanDerWaalsContact C-N 3.28Å; Q477-I479 PolarHBondContact O-N 3.14Å; I479-Q482 PolarHBondContact O-N 3.5Å; I479-W483 WeakPolarHBondContact O-CB 3.49Å; I479-W483 PolarHBondContact O-N 2.99Å
480	C	95	Very high	94.2	Very high	34 Å²	34	52.5 Å²	52.5	23%	0.23	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-45.4	177.3	-60.7	0	0	0	0	112.7	C476 Q477 Q482 W483 D484	C476-C480 PolarHBondContact O-N 3.4Å; C476-C480 PolarHBondContact O-SG 3.4Å; C476-C480 VanDerWaalsContact O-SG 3.36Å; Q477-C480 PolarHBondContact O-N 3.49Å; C480-Q482 VanDerWaalsContact C-N 3.3Å; C480-Q482 PolarHBondContact O-N 2.84Å; C480-W483 WeakPolarHBondContact O-CB 3.28Å; C480-W483 PolarHBondContact O-N 2.81Å; C480-W483 VanDerWaalsContact O-N 3.12Å; C480-D484 PolarHBondContact O-N 2.88Å
481	D	94.7	Very high	93.7	Very high	91 Å²	91	52.9 Å²	52.9	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-39.6	177.1	-67.4	-17.3	0	0	0	111.6	Q477 N485	Q477-D481 PolarHBondContact NE2-OD1 2.94Å; Q477-D481 WeakPolarHBondContact O-CB 3.42Å; Q477-D481 PolarHBondContact O-N 3.43Å; D481-N485 WeakPolarHBondContact O-CB 3.16Å; D481-N485 PolarHBondContact O-N 2.6Å
482	Q	94.5	Very high	93.2	Very high	46 Å²	46	57.1 Å²	57.1	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-67.6	-38.6	175.7	-173	177	34.3	0	0	111.4	T410 K478 I479 C480 N485 L486	T410-Q482 PolarHBondContact OG1-OE1 3Å; K478-Q482 VanDerWaalsContact O-CB 3.29Å; K478-Q482 WeakPolarHBondContact O-CB 3.16Å; K478-Q482 PolarHBondContact O-N 2.88Å; K478-Q482 VanDerWaalsContact O-N 3.08Å; I479-Q482 PolarHBondContact O-N 3.5Å; C480-Q482 VanDerWaalsContact C-N 3.3Å; C480-Q482 PolarHBondContact O-N 2.84Å; Q482-N485 PolarHBondContact O-N 3.08Å; Q482-L486 HydrophobicContact CG-CD1 4.29Å; Q482-L486 WeakPolarHBondContact O-CB 3.3Å; Q482-L486 WeakPolarHBondContact O-CG 3.35Å; Q482-L486 PolarHBondContact O-N 3.15Å
483	W	94.4	Very high	92.6	Very high	23 Å²	23	57.5 Å²	57.5	9%	0.087	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-50.7	178.3	-172.7	-104.4	0	0	0	112.7	H406 W409 L444 H447 Q448 V451 I479 C480 N485 L486 G487	H406-W483 AromaticContact CE1-CE3 3.7Å; H406-W483 AromaticContact CE1-CZ3 3.67Å; W409-W483 AromaticContact CH2-CZ3 3.99Å; W409-W483 HydrophobicContact CH2-CZ3 3.99Å; W409-W483 HydrophobicContact CZ3-CE3 4.4Å; W409-W483 AromaticContact CZ3-CZ3 3.68Å; W409-W483 HydrophobicContact CZ3-CZ3 3.68Å; L444-W483 HydrophobicContact CD1-CD2 4.43Å; L444-W483 HydrophobicContact CD1-CE3 4.05Å; L444-W483 HydrophobicContact CD1-CH2 3.56Å; L444-W483 HydrophobicContact CD1-CZ2 3.94Å; L444-W483 HydrophobicContact CD1-CZ3 3.61Å; L444-W483 HydrophobicContact CG-CH2 4.15Å; L444-W483 HydrophobicContact CG-CZ2 4.25Å; L444-W483 WeakPolarHBondContact O-CH2 3.43Å; L444-W483 VanDerWaalsContact O-CZ2 3.32Å; L444-W483 WeakPolarHBondContact O-CZ2 3.08Å; H447-W483 VanDerWaalsContact C-CH2 3.48Å; H447-W483 HydrophobicContact CB-CH2 3.62Å; H447-W483 HydrophobicContact CB-CZ3 3.92Å; Q448-W483 HydrophobicContact CB-CZ2 4.02Å; V451-W483 HydrophobicContact CG1-CG 4.44Å; V451-W483 HydrophobicContact CG2-CD2 3.79Å; V451-W483 HydrophobicContact CG2-CE3 3.66Å; V451-W483 HydrophobicContact CG2-CG 4.29Å; V451-W483 HydrophobicContact CG2-CH2 4.27Å; V451-W483 HydrophobicContact CG2-CZ2 4.43Å; V451-W483 HydrophobicContact CG2-CZ3 3.91Å; I479-W483 WeakPolarHBondContact O-CB 3.49Å; I479-W483 PolarHBondContact O-N 2.99Å; C480-W483 WeakPolarHBondContact O-CB 3.28Å; C480-W483 PolarHBondContact O-N 2.81Å; C480-W483 VanDerWaalsContact O-N 3.12Å; W483-N485 VanDerWaalsContact C-N 3.28Å; W483-N485 PolarHBondContact O-N 2.94Å; W483-L486 WeakPolarHBondContact O-CB 3.42Å; W483-L486 PolarHBondContact O-N 3.17Å; W483-L486 VanDerWaalsContact O-N 3.15Å; W483-G487 PolarHBondContact O-N 3.33Å
484	D	92.1	Very high	92	Very high	118 Å²	118	57 Å²	57	63%	0.631	30%	0.299	S	S	*	.	H	α-helix	trans	-59.4	-40.3	177.4	-76.8	-15.2	0	0	0	111.6	C480 G487 A488	C480-D484 PolarHBondContact O-N 2.88Å; D484-G487 PolarHBondContact O-N 3.03Å; D484-A488 PolarHBondContact O-N 3.07Å
485	N	92.3	Very high	91	Very high	57 Å²	57	60 Å²	60	31%	0.305	30%	0.301	S	S	.	.	H	α-helix	trans	-67.5	-39.6	176.5	-177.7	46.7	0	0	0	112.6	E414 D481 Q482 W483 A488 L489	E414-N485 PolarHBondContact OE1-ND2 2.97Å; E414-N485 PolarHBondContact OE2-ND2 3.11Å; D481-N485 WeakPolarHBondContact O-CB 3.16Å; D481-N485 PolarHBondContact O-N 2.6Å; Q482-N485 PolarHBondContact O-N 3.08Å; W483-N485 VanDerWaalsContact C-N 3.28Å; W483-N485 PolarHBondContact O-N 2.94Å; N485-A488 PolarHBondContact O-N 2.87Å; N485-L489 WeakPolarHBondContact O-CB 3.3Å; N485-L489 WeakPolarHBondContact O-CG 3.4Å; N485-L489 PolarHBondContact O-N 3.3Å
486	L	91	Very high	89.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60	-46.8	172.8	-77.6	170	0	0	0	110.8	W409 T410 K413 E414 L417 L444 Q482 W483 A488 L489 T490	W409-L486 HydrophobicContact CZ3-CD1 4.44Å; T410-L486 HydrophobicContact CG2-CD1 3.97Å; K413-L486 HydrophobicContact CB-CD2 3.94Å; E414-L486 HydrophobicContact CB-CD2 4.39Å; E414-L486 HydrophobicContact CG-CD2 3.63Å; E414-L486 HydrophobicContact CG-CG 4.22Å; L417-L486 HydrophobicContact CD1-CD2 3.79Å; L444-L486 HydrophobicContact CD1-CB 4.4Å; Q482-L486 HydrophobicContact CG-CD1 4.29Å; Q482-L486 WeakPolarHBondContact O-CB 3.3Å; Q482-L486 WeakPolarHBondContact O-CG 3.35Å; Q482-L486 PolarHBondContact O-N 3.15Å; W483-L486 WeakPolarHBondContact O-CB 3.42Å; W483-L486 PolarHBondContact O-N 3.17Å; W483-L486 VanDerWaalsContact O-N 3.15Å; L486-A488 PolarHBondContact O-N 3.09Å; L486-L489 PolarHBondContact O-N 2.95Å; L486-T490 WeakPolarHBondContact O-CB 3.21Å; L486-T490 PolarHBondContact O-N 2.87Å; L486-T490 PolarHBondContact O-OG1 3.02Å
487	G	89.8	Confident	88.3	Confident	32 Å²	32	58 Å²	58	33%	0.33	30%	0.298	S	S	.	.	H	α-helix	trans	-56.8	-48.1	175.3	0	0	0	0	0	112.8	W483 D484 L489 T490 Q491	W483-G487 PolarHBondContact O-N 3.33Å; D484-G487 PolarHBondContact O-N 3.03Å; G487-L489 PolarHBondContact O-N 3.49Å; G487-T490 WeakPolarHBondContact O-CB 3.3Å; G487-T490 PolarHBondContact O-N 3.07Å; G487-Q491 PolarHBondContact O-N 3.44Å
488	A	89.8	Confident	87.3	Confident	53 Å²	53	57.8 Å²	57.8	44%	0.438	30%	0.297	S	S	.	.	H	α-helix	trans	-67.6	-34.3	-179.4	0	0	0	0	0	114.4	D484 N485 L486	D484-A488 PolarHBondContact O-N 3.07Å; N485-A488 PolarHBondContact O-N 2.87Å; L486-A488 PolarHBondContact O-N 3.09Å
489	L	89.6	Confident	85.3	Confident	31 Å²	31	62 Å²	62	16%	0.162	31%	0.309	C	S	.	.	H	α-helix	trans	-70.6	-35	173.4	-75.8	173	0	0	0	111.8	E414 L417 R418 N485 L486 G487 R493	E414-L489 HydrophobicContact CG-CD1 4.12Å; L417-L489 HydrophobicContact CB-CB 4.1Å; L417-L489 HydrophobicContact CD1-CB 3.9Å; R418-L489 HydrophobicContact CG-CD1 4.39Å; R418-L489 HydrophobicContact CG-CD2 4.19Å; N485-L489 WeakPolarHBondContact O-CB 3.3Å; N485-L489 WeakPolarHBondContact O-CG 3.4Å; N485-L489 PolarHBondContact O-N 3.3Å; L486-L489 PolarHBondContact O-N 2.95Å; G487-L489 PolarHBondContact O-N 3.49Å; L489-R493 PolarHBondContact O-N 3.03Å
490	T	88.9	Confident	83.7	Confident	4 Å²	4	64.6 Å²	64.6	3%	0.025	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-57.2	-178.5	-58.5	0	0	0	0	110.5	L417 H437 F440 E441 L486 G487 K492 R493 R494	L417-T490 VanDerWaalsContact CD1-OG1 3.31Å; L417-T490 WeakPolarHBondContact CD1-OG1 3.43Å; H437-T490 WeakPolarHBondContact NE2-CA 3.49Å; H437-T490 WeakPolarHBondContact NE2-CB 3.22Å; H437-T490 WeakPolarHBondContact NE2-CG2 3.32Å; H437-T490 PolarHBondContact NE2-O 3.42Å; F440-T490 HydrophobicContact CD1-CG2 3.99Å; F440-T490 HydrophobicContact CE1-CG2 4.17Å; F440-T490 WeakPolarHBondContact CE1-OG1 3.25Å; E441-T490 HydrophobicContact CG-CG2 3.26Å; L486-T490 WeakPolarHBondContact O-CB 3.21Å; L486-T490 PolarHBondContact O-N 2.87Å; L486-T490 PolarHBondContact O-OG1 3.02Å; G487-T490 WeakPolarHBondContact O-CB 3.3Å; G487-T490 PolarHBondContact O-N 3.07Å; T490-K492 PolarHBondContact O-N 3.44Å; T490-R493 PolarHBondContact O-N 3.35Å; T490-R494 PolarHBondContact O-N 3.29Å
491	Q	86.1	Confident	82.1	Confident	100 Å²	100	65.4 Å²	65.4	47%	0.467	33%	0.326	S	S	.	.	H	α-helix	trans	-50.9	-40.8	-180	-177.6	59.3	34.8	0	0	113.8	G487 R493	G487-Q491 PolarHBondContact O-N 3.44Å; Q491-R493 VanDerWaalsContact C-N 3.32Å; Q491-R493 PolarHBondContact O-N 2.9Å
492	K	84.2	Confident	80.4	Confident	151 Å²	151	69.2 Å²	69.2	66%	0.657	34%	0.338	S	S	*	.	H	α-helix	trans	-67.6	-29.6	179	-70.5	177	-176.8	169.3	0	113.7	T490	T490-K492 PolarHBondContact O-N 3.44Å
493	R	84.9	Confident	78.2	Confident	17 Å²	17	74.1 Å²	74.1	6%	0.064	37%	0.366	C	S	.	.	H	α-helix	trans	-78.5	-38.4	179.3	175.3	170.5	172	87.1	-3.6	111	L417 Q419 D421 H437 L489 T490 Q491 E495 A496 L497	L417-R493 WeakPolarHBondContact O-CD 3.33Å; Q419-R493 PolarHBondContact O-NH1 3.39Å; D421-R493 VanDerWaalsContact CG-NH2 3.31Å; D421-R493 IonicContact OD1-CZ 3.35Å; D421-R493 IonicContact OD1-NH1 2.73Å; D421-R493 PolarHBondContact OD1-NH1 2.94Å; D421-R493 IonicContact OD1-NH2 3.04Å; D421-R493 PolarHBondContact OD1-NH2 3.2Å; D421-R493 IonicContact OD2-CZ 3.76Å; D421-R493 IonicContact OD2-NH1 3.83Å; D421-R493 IonicContact OD2-NH2 2.76Å; D421-R493 PolarHBondContact OD2-NH2 3.38Å; H437-R493 VanDerWaalsContact CE1-CD 3.44Å; H437-R493 WeakPolarHBondContact CE1-CD 3.49Å; H437-R493 PolarHBondContact CE1-NE 3.25Å; H437-R493 VanDerWaalsContact NE2-CB 3.31Å; H437-R493 WeakPolarHBondContact NE2-CB 3.32Å; L489-R493 PolarHBondContact O-N 3.03Å; T490-R493 PolarHBondContact O-N 3.35Å; Q491-R493 VanDerWaalsContact C-N 3.32Å; Q491-R493 PolarHBondContact O-N 2.9Å; R493-E495 VanDerWaalsContact C-N 3.33Å; R493-E495 PolarHBondContact O-N 3.18Å; R493-A496 PolarHBondContact O-N 3.28Å; R493-A496 VanDerWaalsContact O-N 3.12Å; R493-L497 HydrophobicContact CG-CD1 3.76Å; R493-L497 HydrophobicContact CG-CG 4.18Å; R493-L497 VanDerWaalsContact O-CG 3.32Å; R493-L497 WeakPolarHBondContact O-CG 3.36Å; R493-L497 PolarHBondContact O-N 2.97Å
494	R	83.9	Confident	76.6	Confident	50 Å²	50	75.8 Å²	75.8	19%	0.189	38%	0.376	C	S	.	.	H	α-helix	trans	-47.5	-53.9	173.3	-176.2	176.8	-90.2	-93.2	7.9	112.1	H437 E441 T490 A496 L497 E498	H437-R494 VanDerWaalsContact CD2-CA 3.49Å; H437-R494 WeakPolarHBondContact CD2-CA 3.46Å; E441-R494 VanDerWaalsContact CD-NE 3.3Å; E441-R494 IonicContact OE1-CZ 2.63Å; E441-R494 IonicContact OE1-NE 2.87Å; E441-R494 PolarHBondContact OE1-NE 2.79Å; E441-R494 IonicContact OE1-NH2 2.72Å; E441-R494 IonicContact OE2-CZ 3.18Å; E441-R494 VanDerWaalsContact OE2-CZ 3.25Å; E441-R494 IonicContact OE2-NE 2.71Å; E441-R494 PolarHBondContact OE2-NE 3.17Å; E441-R494 IonicContact OE2-NH2 2.93Å; E441-R494 PolarHBondContact OE2-NH2 2.94Å; T490-R494 PolarHBondContact O-N 3.29Å; R494-A496 PolarHBondContact O-N 3.38Å; R494-L497 PolarHBondContact O-N 3.29Å; R494-E498 IonicContact NH1-OE1 3.37Å; R494-E498 PolarHBondContact O-N 3.05Å
495	E	76.4	Confident	75.2	Confident	130 Å²	130	74.4 Å²	74.4	61%	0.607	37%	0.366	S	S	*	.	H	α-helix	trans	-56.9	-32.9	-178	-66.1	177.1	-173.1	0	0	113.9	R493	R493-E495 VanDerWaalsContact C-N 3.33Å; R493-E495 PolarHBondContact O-N 3.18Å
496	A	70.5	Confident	73.1	Confident	30 Å²	30	76.7 Å²	76.7	25%	0.248	38%	0.382	C	S	.	.	H	α-helix	trans	-77.6	-31.6	179.2	0	0	0	0	0	112.8	Y422 R493 R494	Y422-A496 HydrophobicContact CD1-CB 4.39Å; Y422-A496 HydrophobicContact CE1-CB 3.94Å; Y422-A496 HydrophobicContact CE2-CB 4.4Å; R493-A496 PolarHBondContact O-N 3.28Å; R493-A496 VanDerWaalsContact O-N 3.12Å; R494-A496 PolarHBondContact O-N 3.38Å
497	L	68.1	Low	71.7	Confident	0 Å²	0	78 Å²	78	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-79.5	-37.1	-173.2	-65.7	177.2	0	0	0	113	Y422 L433 L434 H437 R493 R494 R499 T500	Y422-L497 HydrophobicContact CD1-CD2 3.83Å; Y422-L497 HydrophobicContact CG-CD2 3.88Å; L433-L497 HydrophobicContact CB-CD1 4.09Å; L433-L497 HydrophobicContact CB-CD2 3.64Å; L433-L497 HydrophobicContact CB-CG 4.39Å; L433-L497 HydrophobicContact CD1-CD2 3.8Å; L433-L497 HydrophobicContact CG-CD2 4.34Å; L434-L497 HydrophobicContact CB-CB 4.4Å; L434-L497 HydrophobicContact CD1-CB 3.64Å; H437-L497 HydrophobicContact CB-CD1 3.57Å; R493-L497 HydrophobicContact CG-CD1 3.76Å; R493-L497 HydrophobicContact CG-CG 4.18Å; R493-L497 VanDerWaalsContact O-CG 3.32Å; R493-L497 WeakPolarHBondContact O-CG 3.36Å; R493-L497 PolarHBondContact O-N 2.97Å; R494-L497 PolarHBondContact O-N 3.29Å; L497-R499 PolarHBondContact O-N 2.89Å; L497-T500 PolarHBondContact O-N 3.44Å
498	E	74	Confident	70.4	Confident	105 Å²	105	76.6 Å²	76.6	49%	0.491	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.6	-178.6	-68.8	-176.4	175.8	0	0	112.2	L434 R494 T500 E501	L434-E498 HydrophobicContact CD1-CB 4.25Å; L434-E498 HydrophobicContact CD1-CG 3.35Å; L434-E498 HydrophobicContact CD2-CG 3.88Å; L434-E498 HydrophobicContact CG-CG 4.29Å; R494-E498 IonicContact NH1-OE1 3.37Å; R494-E498 PolarHBondContact O-N 3.05Å; E498-T500 PolarHBondContact O-N 3.04Å; E498-E501 VanDerWaalsContact O-CB 3.27Å; E498-E501 WeakPolarHBondContact O-CB 3.42Å
499	R	55	Low	69.5	Low	227 Å²	227	80.2 Å²	80.2	86%	0.857	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-32.3	-174.9	-175.3	172.3	-180	159.6	1.3	114.8	L497	L497-R499 PolarHBondContact O-N 2.89Å
500	T	62.5	Low	68.4	Low	58 Å²	58	81.7 Å²	81.7	36%	0.356	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-1.7	-170.8	-46.1	0	0	0	0	112.1	I430 L497 E498 K502	I430-T500 HydrophobicContact CD1-CG2 3.53Å; I430-T500 HydrophobicContact CG1-CG2 4.24Å; I430-T500 VanDerWaalsContact CG2-C 3.47Å; I430-T500 HydrophobicContact CG2-CG2 4.04Å; I430-T500 WeakPolarHBondContact CG2-O 3.26Å; L497-T500 PolarHBondContact O-N 3.44Å; E498-T500 PolarHBondContact O-N 3.04Å; T500-K502 PolarHBondContact O-N 2.88Å
501	E	60.8	Low	67.7	Low	51 Å²	51	81.5 Å²	81.5	24%	0.238	39%	0.388	C	S	.	.			trans	-58.5	21.8	-171.8	-152	-102.3	174	0	0	117.8	L427 K431 L434 E498	L427-E501 VanDerWaalsContact CD1-O 3.26Å; L427-E501 WeakPolarHBondContact CD1-O 3.29Å; K431-E501 HydrophobicContact CB-CG 4.4Å; K431-E501 VanDerWaalsContact CE-CD 3.49Å; K431-E501 WeakPolarHBondContact CE-OE1 3.46Å; K431-E501 VanDerWaalsContact CG-CD 3.42Å; K431-E501 HydrophobicContact CG-CG 3.55Å; K431-E501 WeakPolarHBondContact CG-OE1 3.36Å; K431-E501 VanDerWaalsContact NZ-CD 3.28Å; K431-E501 PolarHBondContact NZ-O 3.07Å; K431-E501 IonicContact NZ-OE1 3.26Å; K431-E501 PolarHBondContact NZ-OE1 3.07Å; K431-E501 IonicContact NZ-OE2 3.88Å; K431-E501 PolarHBondContact NZ-OE2 3.35Å; L434-E501 HydrophobicContact CB-CG 4.21Å; L434-E501 HydrophobicContact CD2-CG 3.74Å; E498-E501 VanDerWaalsContact O-CB 3.27Å; E498-E501 WeakPolarHBondContact O-CB 3.42Å
502	K	59.6	Low	66.9	Low	170 Å²	170	78.3 Å²	78.3	74%	0.739	37%	0.373	S	S	*	.			trans	-131.1	6.4	-163.4	-136.6	172.7	179	171.5	0	123.9	T500	T500-K502 PolarHBondContact O-N 2.88Å
503	L	48.4	Very low	66.5	Low	150 Å²	150	75.4 Å²	75.4	79%	0.785	36%	0.362	S	S	*	.	S	Bend	trans	-89.6	-98.3	-179.8	-90.4	65	0	0	0	117.5	L427 E505	L427-L503 HydrophobicContact CB-CB 3.92Å; L503-E505 PolarHBondContact O-N 3.48Å
504	L	61.2	Low	66.6	Low	57 Å²	57	74.6 Å²	74.6	30%	0.298	36%	0.359	S	S	.	.			trans	-84.5	81.8	178.9	55.8	150.2	0	0	0	115.9	L427 S428 T506 I507 V584 M586	L427-L504 HydrophobicContact CB-CB 4.44Å; L427-L504 HydrophobicContact CB-CD2 4.12Å; L427-L504 HydrophobicContact CB-CG 3.97Å; L427-L504 VanDerWaalsContact CD2-C 3.5Å; S428-L504 VanDerWaalsContact OG-CD1 3.27Å; S428-L504 WeakPolarHBondContact OG-CD1 3.31Å; L504-T506 PolarHBondContact O-N 2.7Å; L504-I507 HydrophobicContact CD1-CD1 4.19Å; L504-V584 HydrophobicContact CD1-CG1 4.36Å; L504-M586 HydrophobicContact CD1-SD 4.03Å
505	E	62.5	Low	66	Low	90 Å²	90	72.6 Å²	72.6	42%	0.421	35%	0.353	S	S	.	.			trans	-80.9	18.8	-175	-166.1	155.3	169.7	0	0	114.6	L427 K431 L503 D508	L427-E505 HydrophobicContact CD2-CB 3.63Å; L427-E505 HydrophobicContact CD2-CG 4.34Å; L427-E505 VanDerWaalsContact CD2-N 3.31Å; K431-E505 HydrophobicContact CD-CB 4.44Å; K431-E505 HydrophobicContact CD-CG 3.7Å; K431-E505 WeakPolarHBondContact CE-OE1 3.3Å; K431-E505 IonicContact NZ-OE1 3.37Å; K431-E505 PolarHBondContact NZ-OE1 3.11Å; K431-E505 IonicContact NZ-OE2 2.63Å; K431-E505 PolarHBondContact NZ-OE2 3.27Å; L503-E505 PolarHBondContact O-N 3.48Å; E505-D508 VanDerWaalsContact C-CB 3.45Å; E505-D508 WeakPolarHBondContact O-CB 3.45Å
506	T	48.9	Very low	66.2	Low	105 Å²	105	73.2 Å²	73.2	64%	0.644	35%	0.354	S	S	*	.	S	Bend	trans	-119.3	-43.5	-160.2	-43.3	0	0	0	0	113.3	L504 D508 Q509	L504-T506 PolarHBondContact O-N 2.7Å; T506-D508 PolarHBondContact O-N 3.06Å; T506-Q509 PolarHBondContact O-N 2.79Å
507	I	60.4	Low	67	Low	28 Å²	28	75.5 Å²	75.5	14%	0.144	36%	0.356	C	S	.	.	H	α-helix	trans	-62.7	-22.3	163.7	-56.6	170.8	0	0	0	109.5	L504 Q509 Y511 V575 V584 M586	L504-I507 HydrophobicContact CD1-CD1 4.19Å; I507-Q509 PolarHBondContact O-N 3.39Å; I507-Y511 HydrophobicContact CG2-CD2 3.88Å; I507-Y511 HydrophobicContact CG2-CE2 3.99Å; I507-V575 HydrophobicContact CG2-CG1 4.42Å; I507-V584 HydrophobicContact CD1-CB 4.45Å; I507-V584 HydrophobicContact CD1-CG1 4.34Å; I507-V584 HydrophobicContact CD1-CG2 4.13Å; I507-M586 HydrophobicContact CB-CE 4.24Å; I507-M586 HydrophobicContact CD1-CE 4.35Å; I507-M586 HydrophobicContact CD1-SD 3.67Å; I507-M586 HydrophobicContact CG2-CE 3.61Å; I507-M586 HydrophobicContact CG2-SD 4.35Å
508	D	62.3	Low	67.9	Low	2 Å²	2	75.5 Å²	75.5	1%	0.011	36%	0.356	C	S	.	.	H	α-helix	trans	-47.5	-53	168.8	-170.4	113.7	0	0	0	113.2	K431 K435 E505 T506 L510 Y511 L512 Y592	K431-D508 VanDerWaalsContact CB-OD1 3.31Å; K431-D508 WeakPolarHBondContact CB-OD1 3.4Å; K431-D508 WeakPolarHBondContact CD-OD1 3.37Å; K435-D508 IonicContact NZ-OD1 2.89Å; K435-D508 PolarHBondContact NZ-OD1 2.76Å; K435-D508 IonicContact NZ-OD2 3.2Å; K435-D508 PolarHBondContact NZ-OD2 3.07Å; E505-D508 VanDerWaalsContact C-CB 3.45Å; E505-D508 WeakPolarHBondContact O-CB 3.45Å; T506-D508 PolarHBondContact O-N 3.06Å; D508-L510 PolarHBondContact O-N 3Å; D508-Y511 PolarHBondContact O-N 2.82Å; D508-L512 WeakPolarHBondContact O-CA 3.5Å; D508-L512 WeakPolarHBondContact O-CB 3.43Å; D508-L512 PolarHBondContact O-N 2.84Å; D508-Y592 VanDerWaalsContact CA-CZ 3.48Å; D508-Y592 WeakPolarHBondContact CA-OH 3.43Å; D508-Y592 HydrophobicContact CB-CE1 4.41Å; D508-Y592 HydrophobicContact CB-CE2 4.37Å; D508-Y592 WeakPolarHBondContact CB-OH 3.47Å; D508-Y592 VanDerWaalsContact CG-CE1 3.47Å; D508-Y592 WeakPolarHBondContact O-CE2 3.41Å; D508-Y592 WeakPolarHBondContact OD1-CE1 3.41Å; D508-Y592 PolarHBondContact OD1-OH 3.38Å
509	Q	71.3	Confident	68.4	Low	129 Å²	129	72 Å²	72	60%	0.603	35%	0.345	S	S	*	.	H	α-helix	trans	-67	-34.7	-162	-74.7	177.2	-31.3	0	0	115	T506 I507 E513	T506-Q509 PolarHBondContact O-N 2.79Å; I507-Q509 PolarHBondContact O-N 3.39Å; Q509-E513 PolarHBondContact O-N 2.64Å
510	L	67.7	Low	69.8	Low	61 Å²	61	65.2 Å²	65.2	32%	0.319	33%	0.331	S	S	.	.	H	α-helix	trans	-82.7	-40.1	179	-70.8	166.1	0	0	0	112.3	D508 L512 E513 Y514 I571 V575 I578	D508-L510 PolarHBondContact O-N 3Å; L510-L512 PolarHBondContact O-N 2.91Å; L510-E513 PolarHBondContact O-N 3.42Å; L510-Y514 PolarHBondContact O-N 3.31Å; L510-Y514 VanDerWaalsContact O-N 3.16Å; L510-I571 VanDerWaalsContact O-CG2 3.32Å; L510-I571 WeakPolarHBondContact O-CG2 3.32Å; L510-V575 HydrophobicContact CB-CG2 3.59Å; L510-I578 HydrophobicContact CD1-CD1 3.31Å
511	Y	73.5	Confident	71.2	Confident	1 Å²	1	63 Å²	63	0%	0.004	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-31.7	170.9	-84.3	-41.8	0	0	0	111.3	I507 D508 A515 V575 M586 N590 P591 Y592	I507-Y511 HydrophobicContact CG2-CD2 3.88Å; I507-Y511 HydrophobicContact CG2-CE2 3.99Å; D508-Y511 PolarHBondContact O-N 2.82Å; Y511-A515 WeakPolarHBondContact O-CB 3.35Å; Y511-A515 PolarHBondContact O-N 3.43Å; Y511-V575 HydrophobicContact CD1-CB 3.74Å; Y511-V575 HydrophobicContact CD1-CG1 3.56Å; Y511-V575 HydrophobicContact CD1-CG2 3.74Å; Y511-V575 HydrophobicContact CD2-CG1 3.68Å; Y511-V575 HydrophobicContact CE1-CB 3.61Å; Y511-V575 HydrophobicContact CE1-CG1 3.39Å; Y511-V575 HydrophobicContact CE1-CG2 4.15Å; Y511-V575 HydrophobicContact CE2-CG1 3.52Å; Y511-V575 HydrophobicContact CG-CB 4.31Å; Y511-V575 HydrophobicContact CG-CG1 3.7Å; Y511-V575 HydrophobicContact CG-CG2 4.17Å; Y511-M586 HydrophobicContact CE2-CE 4.16Å; Y511-N590 HydrophobicContact CD1-CB 3.57Å; Y511-N590 VanDerWaalsContact CD1-CG 3.43Å; Y511-N590 WeakPolarHBondContact CD1-ND2 3.38Å; Y511-N590 HydrophobicContact CE1-CB 3.76Å; Y511-N590 HydrophobicContact CG-CB 4.23Å; Y511-N590 PolarHBondContact O-ND2 2.85Å; Y511-N590 PolarHBondContact O-OD1 2.58Å; Y511-P591 HydrophobicContact CD2-CG 4.11Å; Y511-Y592 VanDerWaalsContact CB-CD2 3.48Å
512	L	69.6	Low	72.6	Confident	32 Å²	32	60.8 Å²	60.8	17%	0.168	31%	0.306	C	S	.	.	H	α-helix	trans	-65.9	-39.5	171.6	176.9	67.3	0	0	0	112.1	K435 D508 L510 A515 K516 Y592	K435-L512 HydrophobicContact CD-CD1 3.95Å; D508-L512 WeakPolarHBondContact O-CA 3.5Å; D508-L512 WeakPolarHBondContact O-CB 3.43Å; D508-L512 PolarHBondContact O-N 2.84Å; L510-L512 PolarHBondContact O-N 2.91Å; L512-A515 PolarHBondContact O-N 3.29Å; L512-K516 HydrophobicContact CD1-CD 4.48Å; L512-K516 HydrophobicContact CD1-CG 4.27Å; L512-K516 HydrophobicContact CG-CD 4.24Å; L512-K516 HydrophobicContact CG-CG 4.42Å; L512-K516 WeakPolarHBondContact O-CB 3.22Å; L512-K516 VanDerWaalsContact O-CG 3.3Å; L512-K516 WeakPolarHBondContact O-CG 3.46Å; L512-K516 PolarHBondContact O-N 2.71Å; L512-Y592 HydrophobicContact CB-CD1 4.47Å; L512-Y592 HydrophobicContact CB-CD2 4.37Å; L512-Y592 HydrophobicContact CB-CG 4.31Å; L512-Y592 HydrophobicContact CD1-CD1 4.13Å; L512-Y592 HydrophobicContact CD1-CG 4.42Å
513	E	76.3	Confident	74	Confident	90 Å²	90	55.2 Å²	55.2	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-64	-44.1	175.8	-162.9	-168.9	151	0	0	111.4	Q509 L510 A515 K516 R517 I571	Q509-E513 PolarHBondContact O-N 2.64Å; L510-E513 PolarHBondContact O-N 3.42Å; E513-A515 PolarHBondContact O-N 2.86Å; E513-K516 PolarHBondContact O-N 3.18Å; E513-R517 PolarHBondContact O-N 2.91Å; E513-I571 HydrophobicContact CB-CD1 4.35Å; E513-I571 HydrophobicContact CB-CG2 4.4Å; E513-I571 HydrophobicContact CG-CD1 3.93Å
514	Y	85.1	Confident	76.1	Confident	1 Å²	1	52 Å²	52	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-56	-50.5	171.3	173	-83.3	0	0	0	110.8	L510 K516 R517 A518 I568 H572 N590 T593 I595 P597	L510-Y514 PolarHBondContact O-N 3.31Å; L510-Y514 VanDerWaalsContact O-N 3.16Å; Y514-K516 PolarHBondContact O-N 2.94Å; Y514-R517 PolarHBondContact O-N 3.28Å; Y514-A518 HydrophobicContact CD1-CB 4.1Å; Y514-A518 HydrophobicContact CE1-CB 3.82Å; Y514-A518 WeakPolarHBondContact O-CB 3.36Å; Y514-A518 PolarHBondContact O-N 2.94Å; Y514-I568 HydrophobicContact CD2-CG2 3.77Å; Y514-I568 VanDerWaalsContact CD2-O 3.27Å; Y514-I568 WeakPolarHBondContact CD2-O 3.26Å; Y514-I568 HydrophobicContact CE2-CG2 3.48Å; Y514-I568 VanDerWaalsContact CE2-CG2 3.48Å; Y514-H572 HydrophobicContact CD2-CB 3.81Å; Y514-H572 HydrophobicContact CE2-CB 3.8Å; Y514-N590 WeakPolarHBondContact CD1-ND2 3.46Å; Y514-T593 HydrophobicContact CD1-CG2 3.73Å; Y514-T593 HydrophobicContact CE1-CG2 3.57Å; Y514-I595 WeakPolarHBondContact CE1-O 3.48Å; Y514-I595 PolarHBondContact OH-O 3.1Å; Y514-P597 HydrophobicContact CE2-CG 4.43Å; Y514-P597 WeakPolarHBondContact OH-CD 3.36Å
515	A	73.1	Confident	77.7	Confident	7 Å²	7	49.2 Å²	49.2	6%	0.058	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-39.4	-176.2	0	0	0	0	0	113	Y511 L512 E513 R517 A518 A519 Y592 T593	Y511-A515 WeakPolarHBondContact O-CB 3.35Å; Y511-A515 PolarHBondContact O-N 3.43Å; L512-A515 PolarHBondContact O-N 3.29Å; E513-A515 PolarHBondContact O-N 2.86Å; A515-R517 PolarHBondContact O-N 3.15Å; A515-A518 PolarHBondContact O-N 3.4Å; A515-A519 WeakPolarHBondContact O-CB 3.39Å; A515-A519 PolarHBondContact O-N 3.24Å; A515-Y592 VanDerWaalsContact CB-CB 3.45Å; A515-T593 HydrophobicContact CB-CG2 3.79Å
516	K	80.5	Confident	79	Confident	143 Å²	143	46.6 Å²	46.6	62%	0.622	24%	0.235	S	C	*	.	H	α-helix	trans	-59.9	-29.7	176.4	-82.8	-178.9	173.8	-173	0	113.6	L512 E513 Y514 P520	L512-K516 HydrophobicContact CD1-CD 4.48Å; L512-K516 HydrophobicContact CD1-CG 4.27Å; L512-K516 HydrophobicContact CG-CD 4.24Å; L512-K516 HydrophobicContact CG-CG 4.42Å; L512-K516 WeakPolarHBondContact O-CB 3.22Å; L512-K516 VanDerWaalsContact O-CG 3.3Å; L512-K516 WeakPolarHBondContact O-CG 3.46Å; L512-K516 PolarHBondContact O-N 2.71Å; E513-K516 PolarHBondContact O-N 3.18Å; Y514-K516 PolarHBondContact O-N 2.94Å; K516-P520 WeakPolarHBondContact O-CD 3.46Å; K516-P520 WeakPolarHBondContact O-CG 3.45Å
517	R	87.4	Confident	81	Confident	78 Å²	78	42.8 Å²	42.8	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-93.2	-40.2	177.4	-62.5	178.3	71	167.3	7.4	111.7	E513 Y514 A515 A519 F521 E564 A567 I568	E513-R517 PolarHBondContact O-N 2.91Å; Y514-R517 PolarHBondContact O-N 3.28Å; A515-R517 PolarHBondContact O-N 3.15Å; R517-A519 PolarHBondContact O-N 2.97Å; R517-F521 VanDerWaalsContact O-CB 3.24Å; R517-F521 WeakPolarHBondContact O-CB 3.38Å; R517-F521 PolarHBondContact O-N 3.28Å; R517-E564 IonicContact CZ-OE1 2.78Å; R517-E564 VanDerWaalsContact CZ-OE1 3.27Å; R517-E564 IonicContact CZ-OE2 3.57Å; R517-E564 IonicContact NE-OE1 2.67Å; R517-E564 PolarHBondContact NE-OE1 2.9Å; R517-E564 IonicContact NE-OE2 3.25Å; R517-E564 IonicContact NH2-OE1 3.57Å; R517-E564 PolarHBondContact NH2-OE1 3.25Å; R517-E564 IonicContact NH2-OE2 3.67Å; R517-E564 PolarHBondContact NH2-OE2 3.33Å; R517-A567 VanDerWaalsContact NH2-CB 3.26Å; R517-I568 HydrophobicContact CB-CD1 4.12Å; R517-I568 HydrophobicContact CB-CG1 3.6Å
518	A	86.5	Confident	82.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-37.9	178.9	0	0	0	0	0	113.5	Y514 A515 N522 I568 I595 I600	Y514-A518 HydrophobicContact CD1-CB 4.1Å; Y514-A518 HydrophobicContact CE1-CB 3.82Å; Y514-A518 WeakPolarHBondContact O-CB 3.36Å; Y514-A518 PolarHBondContact O-N 2.94Å; A515-A518 PolarHBondContact O-N 3.4Å; A518-N522 WeakPolarHBondContact O-CB 3.32Å; A518-N522 PolarHBondContact O-N 3.06Å; A518-I568 HydrophobicContact CB-CG2 4.1Å; A518-I595 HydrophobicContact CB-CG2 4.42Å; A518-I600 HydrophobicContact CB-CD1 4Å
519	A	84.1	Confident	84.1	Confident	32 Å²	32	43.3 Å²	43.3	26%	0.264	22%	0.219	S	C	.	.	H	α-helix	trans	-68.9	-54.2	-177.9	0	0	0	0	0	113.3	A515 R517 F521 N522 N523 I595	A515-A519 WeakPolarHBondContact O-CB 3.39Å; A515-A519 PolarHBondContact O-N 3.24Å; R517-A519 PolarHBondContact O-N 2.97Å; A519-F521 VanDerWaalsContact C-N 3.26Å; A519-F521 PolarHBondContact O-N 3.46Å; A519-N522 PolarHBondContact O-N 3.33Å; A519-N523 PolarHBondContact O-N 2.94Å; A519-N523 PolarHBondContact O-OD1 3.14Å; A519-N523 VanDerWaalsContact O-OD1 3.1Å; A519-I595 HydrophobicContact CB-CD1 4.43Å
520	P	84.6	Confident	85	Confident	85 Å²	85	38.5 Å²	38.5	55%	0.552	20%	0.197	S	C	*	.	H	α-helix	trans	-60.1	-36	174.4	-23.4	34.5	0	0	0	112.9	K516 N523 W524	K516-P520 WeakPolarHBondContact O-CD 3.46Å; K516-P520 WeakPolarHBondContact O-CG 3.45Å; P520-N523 PolarHBondContact O-N 3.26Å; P520-W524 WeakPolarHBondContact O-CB 3.4Å; P520-W524 PolarHBondContact O-N 3.13Å
521	F	91.9	Very high	86.1	Confident	11 Å²	11	40.7 Å²	40.7	5%	0.048	21%	0.209	C	C	.	.	H	α-helix	trans	-68.7	-37.9	177.2	-170.9	-107.7	0	0	0	112.8	R517 A519 W524 M525 A561 E564 R565 I568 I600 W604	R517-F521 VanDerWaalsContact O-CB 3.24Å; R517-F521 WeakPolarHBondContact O-CB 3.38Å; R517-F521 PolarHBondContact O-N 3.28Å; A519-F521 VanDerWaalsContact C-N 3.26Å; A519-F521 PolarHBondContact O-N 3.46Å; F521-W524 HydrophobicContact CD2-CE3 4.28Å; F521-W524 AromaticContact CE2-CE3 3.94Å; F521-W524 HydrophobicContact CE2-CE3 3.94Å; F521-W524 HydrophobicContact CE2-CZ3 4.11Å; F521-W524 HydrophobicContact CZ-CE3 4.45Å; F521-W524 HydrophobicContact CZ-CZ3 4.35Å; F521-M525 HydrophobicContact CD1-CE 3.68Å; F521-M525 HydrophobicContact CD1-SD 4.21Å; F521-M525 HydrophobicContact CE1-CE 3.71Å; F521-M525 HydrophobicContact CE1-CG 4.24Å; F521-M525 HydrophobicContact CE1-SD 3.64Å; F521-M525 HydrophobicContact CZ-CG 4.39Å; F521-M525 HydrophobicContact CZ-SD 4.19Å; F521-M525 WeakPolarHBondContact O-CG 3.39Å; F521-M525 PolarHBondContact O-N 3.26Å; F521-A561 HydrophobicContact CE2-CB 3.98Å; F521-A561 VanDerWaalsContact CE2-O 3.23Å; F521-A561 WeakPolarHBondContact CE2-O 3.5Å; F521-A561 WeakPolarHBondContact CZ-O 3.49Å; F521-E564 HydrophobicContact CD2-CB 4.19Å; F521-E564 HydrophobicContact CD2-CG 3.92Å; F521-E564 HydrophobicContact CE2-CB 4.22Å; F521-E564 HydrophobicContact CE2-CG 4.44Å; F521-E564 HydrophobicContact CG-CG 4.44Å; F521-R565 HydrophobicContact CE1-CB 3.78Å; F521-R565 HydrophobicContact CE1-CG 4.06Å; F521-R565 HydrophobicContact CZ-CB 3.73Å; F521-R565 HydrophobicContact CZ-CG 4.41Å; F521-I568 HydrophobicContact CB-CD1 3.62Å; F521-I568 HydrophobicContact CD1-CD1 3.81Å; F521-I568 HydrophobicContact CG-CD1 3.72Å; F521-I600 HydrophobicContact CD1-CG2 4.19Å; F521-I600 HydrophobicContact CE1-CG2 3.96Å; F521-W604 AromaticContact CZ-CE3 3.93Å; F521-W604 HydrophobicContact CZ-CE3 3.93Å; F521-W604 HydrophobicContact CZ-CZ3 4.09Å
522	N	90.1	Very high	87.1	Confident	5 Å²	5	41 Å²	41	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-46.3	171.6	177.4	86.4	0	0	0	111.5	A518 A519 W524 M525 E526 I595 K603	A518-N522 WeakPolarHBondContact O-CB 3.32Å; A518-N522 PolarHBondContact O-N 3.06Å; A519-N522 PolarHBondContact O-N 3.33Å; N522-W524 VanDerWaalsContact C-N 3.31Å; N522-W524 PolarHBondContact O-N 3.45Å; N522-M525 CarbonylContact O-C 3.55Å; N522-M525 WeakPolarHBondContact O-CB 3.47Å; N522-M525 PolarHBondContact O-N 2.98Å; N522-M525 VanDerWaalsContact O-N 3.07Å; N522-E526 PolarHBondContact ND2-OE1 2.98Å; N522-E526 PolarHBondContact O-N 3.3Å; N522-I595 HydrophobicContact CB-CD1 3.5Å; N522-I595 VanDerWaalsContact CB-CD1 3.5Å; N522-I595 HydrophobicContact CB-CG1 4.26Å; N522-I595 HydrophobicContact CB-CG2 4.41Å; N522-K603 WeakPolarHBondContact OD1-CD 3.35Å; N522-K603 PolarHBondContact OD1-NZ 3.13Å
523	N	88.4	Confident	88.1	Confident	53 Å²	53	43.3 Å²	43.3	28%	0.283	22%	0.22	S	C	.	.	H	α-helix	trans	-68.8	-34.1	-177.8	-67.1	27.2	0	0	0	110.8	A519 P520 E526 G527	A519-N523 PolarHBondContact O-N 2.94Å; A519-N523 PolarHBondContact O-OD1 3.14Å; A519-N523 VanDerWaalsContact O-OD1 3.1Å; P520-N523 PolarHBondContact O-N 3.26Å; N523-E526 PolarHBondContact O-N 2.98Å; N523-G527 PolarHBondContact O-N 3.38Å
524	W	93.7	Very high	88.8	Confident	81 Å²	81	41.1 Å²	41.1	31%	0.307	21%	0.212	S	C	.	.	H	α-helix	trans	-62.2	-41.6	167.7	176	85.4	0	0	0	112.4	P520 F521 N522 A528 F554 L558 A561 W604	P520-W524 WeakPolarHBondContact O-CB 3.4Å; P520-W524 PolarHBondContact O-N 3.13Å; F521-W524 HydrophobicContact CD2-CE3 4.28Å; F521-W524 AromaticContact CE2-CE3 3.94Å; F521-W524 HydrophobicContact CE2-CE3 3.94Å; F521-W524 HydrophobicContact CE2-CZ3 4.11Å; F521-W524 HydrophobicContact CZ-CE3 4.45Å; F521-W524 HydrophobicContact CZ-CZ3 4.35Å; N522-W524 VanDerWaalsContact C-N 3.31Å; N522-W524 PolarHBondContact O-N 3.45Å; W524-A528 WeakPolarHBondContact O-CB 3.42Å; W524-A528 PolarHBondContact O-N 3.23Å; W524-F554 HydrophobicContact CH2-CZ 4.5Å; W524-F554 AromaticContact CZ2-CE2 3.9Å; W524-F554 HydrophobicContact CZ2-CE2 3.9Å; W524-F554 HydrophobicContact CZ2-CZ 4.17Å; W524-L558 HydrophobicContact CH2-CD2 3.94Å; W524-L558 HydrophobicContact CZ2-CD2 4.39Å; W524-A561 HydrophobicContact CE3-CB 4.42Å; W524-A561 HydrophobicContact CH2-CB 3.46Å; W524-A561 VanDerWaalsContact CH2-CB 3.46Å; W524-A561 HydrophobicContact CZ2-CB 3.92Å; W524-A561 HydrophobicContact CZ3-CB 3.75Å; W524-W604 AromaticContact CH2-CZ3 3.96Å; W524-W604 HydrophobicContact CH2-CZ3 3.96Å; W524-W604 HydrophobicContact CZ3-CE3 4.27Å; W524-W604 AromaticContact CZ3-CZ3 3.76Å; W524-W604 HydrophobicContact CZ3-CZ3 3.76Å
525	M	94	Very high	88.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.3	-38.1	174.8	-73.5	-174.8	-64.7	0	0	112.6	F521 N522 M529 I600 K603 W604 V607	F521-M525 HydrophobicContact CD1-CE 3.68Å; F521-M525 HydrophobicContact CD1-SD 4.21Å; F521-M525 HydrophobicContact CE1-CE 3.71Å; F521-M525 HydrophobicContact CE1-CG 4.24Å; F521-M525 HydrophobicContact CE1-SD 3.64Å; F521-M525 HydrophobicContact CZ-CG 4.39Å; F521-M525 HydrophobicContact CZ-SD 4.19Å; F521-M525 WeakPolarHBondContact O-CG 3.39Å; F521-M525 PolarHBondContact O-N 3.26Å; N522-M525 CarbonylContact O-C 3.55Å; N522-M525 WeakPolarHBondContact O-CB 3.47Å; N522-M525 PolarHBondContact O-N 2.98Å; N522-M525 VanDerWaalsContact O-N 3.07Å; M525-M529 VanDerWaalsContact O-CG 3.23Å; M525-M529 WeakPolarHBondContact O-CG 3.29Å; M525-M529 PolarHBondContact O-N 3.48Å; M525-I600 HydrophobicContact CE-CB 4.44Å; M525-I600 HydrophobicContact CE-CG1 4.46Å; M525-I600 HydrophobicContact CE-CG2 4.14Å; M525-K603 HydrophobicContact CB-CB 4.34Å; M525-K603 HydrophobicContact CE-CB 4.04Å; M525-K603 HydrophobicContact SD-CB 3.9Å; M525-W604 HydrophobicContact SD-CB 3.98Å; M525-W604 HydrophobicContact SD-CE3 4.32Å; M525-V607 HydrophobicContact CB-CG2 4.29Å; M525-V607 HydrophobicContact CG-CG2 4.47Å
526	E	90.3	Very high	89.7	Confident	34 Å²	34	44.5 Å²	44.5	16%	0.159	23%	0.227	C	C	.	.	H	α-helix	trans	-69.1	-42.1	176.5	-73.8	-172.8	-146.6	0	0	112.4	H447 N522 N523 M529 E530 K603	H447-E526 IonicContact CE1-OE2 2.89Å; N522-E526 PolarHBondContact ND2-OE1 2.98Å; N522-E526 PolarHBondContact O-N 3.3Å; N523-E526 PolarHBondContact O-N 2.98Å; E526-M529 PolarHBondContact O-N 2.89Å; E526-E530 PolarHBondContact O-N 3.41Å; E526-K603 HydrophobicContact CG-CD 4.43Å; E526-K603 IonicContact OE1-NZ 3.92Å; E526-K603 PolarHBondContact OE1-NZ 2.92Å
527	G	91.1	Very high	90	Very high	25 Å²	25	40.6 Å²	40.6	26%	0.258	21%	0.213	S	C	.	.	H	α-helix	trans	-60.9	-46.3	171.3	0	0	0	0	0	111.7	N523 M529 E530 D531	N523-G527 PolarHBondContact O-N 3.38Å; G527-M529 VanDerWaalsContact C-N 3.31Å; G527-M529 PolarHBondContact O-N 3.1Å; G527-E530 PolarHBondContact O-N 3.46Å; G527-E530 VanDerWaalsContact O-N 3.1Å; G527-D531 PolarHBondContact O-N 2.92Å
528	A	93.9	Very high	90.1	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-38.5	175	0	0	0	0	0	113	W524 L532 F554 V607	W524-A528 WeakPolarHBondContact O-CB 3.42Å; W524-A528 PolarHBondContact O-N 3.23Å; A528-L532 VanDerWaalsContact O-CB 3.27Å; A528-L532 WeakPolarHBondContact O-CB 2.82Å; A528-L532 VanDerWaalsContact O-CD1 3.3Å; A528-L532 WeakPolarHBondContact O-CD1 3.44Å; A528-L532 WeakPolarHBondContact O-CG 3.34Å; A528-L532 PolarHBondContact O-N 3.06Å; A528-F554 HydrophobicContact CB-CE2 3.8Å; A528-F554 HydrophobicContact CB-CZ 3.67Å; A528-V607 HydrophobicContact CB-CG1 4.4Å; A528-V607 HydrophobicContact CB-CG2 4.28Å
529	M	93.9	Very high	90.1	Very high	39 Å²	39	42.4 Å²	42.4	19%	0.192	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-45.7	173.1	-74.8	168.8	39.2	0	0	111.4	M525 E526 G527 Q533 K603 V607 L610	M525-M529 VanDerWaalsContact O-CG 3.23Å; M525-M529 WeakPolarHBondContact O-CG 3.29Å; M525-M529 PolarHBondContact O-N 3.48Å; E526-M529 PolarHBondContact O-N 2.89Å; G527-M529 VanDerWaalsContact C-N 3.31Å; G527-M529 PolarHBondContact O-N 3.1Å; M529-Q533 WeakPolarHBondContact O-CB 3.44Å; M529-Q533 VanDerWaalsContact O-CG 3.27Å; M529-Q533 WeakPolarHBondContact O-CG 3.49Å; M529-Q533 PolarHBondContact O-N 3.05Å; M529-Q533 VanDerWaalsContact O-N 3.14Å; M529-Q533 PolarHBondContact O-OE1 3.18Å; M529-K603 HydrophobicContact SD-CG 4.47Å; M529-V607 HydrophobicContact CG-CG2 3.7Å; M529-L610 HydrophobicContact CB-CD1 4.14Å; M529-L610 HydrophobicContact CG-CD1 3.99Å
530	E	89.6	Confident	90.4	Very high	28 Å²	28	43 Å²	43	13%	0.131	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-49.6	177.7	-171.2	167.4	-173.7	0	0	111.6	K402 R450 E526 G527 L532 Q533 D534	K402-E530 IonicContact NZ-OE1 3.8Å; K402-E530 PolarHBondContact NZ-OE1 3.5Å; R450-E530 IonicContact CZ-OE2 3.96Å; R450-E530 IonicContact NE-OE1 2.79Å; R450-E530 IonicContact NE-OE2 3.7Å; R450-E530 PolarHBondContact NE-OE2 3.27Å; R450-E530 IonicContact NH2-OE2 2.93Å; R450-E530 PolarHBondContact NH2-OE2 2.87Å; E526-E530 PolarHBondContact O-N 3.41Å; G527-E530 PolarHBondContact O-N 3.46Å; G527-E530 VanDerWaalsContact O-N 3.1Å; E530-L532 PolarHBondContact O-N 3.05Å; E530-Q533 CarbonylContact O-C 3.6Å; E530-Q533 PolarHBondContact O-N 2.95Å; E530-Q533 VanDerWaalsContact O-N 3.1Å; E530-D534 PolarHBondContact O-N 2.99Å
531	D	91	Very high	90.8	Very high	107 Å²	107	41 Å²	41	57%	0.572	21%	0.209	S	C	*	.	H	α-helix	trans	-62	-38.9	179.7	-68.7	-22.8	0	0	0	113	G527 Q533 R614	G527-D531 PolarHBondContact O-N 2.92Å; D531-Q533 VanDerWaalsContact C-N 3.29Å; D531-Q533 PolarHBondContact O-N 2.78Å; D531-R614 PolarHBondContact O-NH2 3.12Å
532	L	93.5	Very high	90.8	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-70.6	-26.7	177.1	-70.3	169.6	0	0	0	112.3	A528 E530 H551 F554 V607 L610 V611 R614	A528-L532 VanDerWaalsContact O-CB 3.27Å; A528-L532 WeakPolarHBondContact O-CB 2.82Å; A528-L532 VanDerWaalsContact O-CD1 3.3Å; A528-L532 WeakPolarHBondContact O-CD1 3.44Å; A528-L532 WeakPolarHBondContact O-CG 3.34Å; A528-L532 PolarHBondContact O-N 3.06Å; E530-L532 PolarHBondContact O-N 3.05Å; L532-H551 VanDerWaalsContact CD2-CE1 3.41Å; L532-H551 WeakPolarHBondContact CD2-CE1 3.27Å; L532-H551 WeakPolarHBondContact CD2-NE2 3.19Å; L532-F554 HydrophobicContact CD1-CE1 4.05Å; L532-F554 HydrophobicContact CD1-CZ 4.36Å; L532-F554 HydrophobicContact CD2-CD1 4.28Å; L532-F554 HydrophobicContact CD2-CE1 4.07Å; L532-F554 HydrophobicContact CG-CE1 4.3Å; L532-V607 HydrophobicContact CD1-CG1 4.11Å; L532-L610 HydrophobicContact CB-CB 3.94Å; L532-L610 HydrophobicContact CB-CD1 4.39Å; L532-L610 HydrophobicContact CD1-CB 3.76Å; L532-L610 HydrophobicContact CG-CB 4.45Å; L532-V611 HydrophobicContact CD1-CG2 3.8Å; L532-V611 HydrophobicContact CD2-CG2 4.17Å; L532-R614 HydrophobicContact CD2-CB 3.85Å; L532-R614 HydrophobicContact CD2-CG 3.96Å; L532-R614 WeakPolarHBondContact O-CD 3.43Å; L532-R614 PolarHBondContact O-NH1 3.47Å
533	Q	91.7	Very high	91	Very high	79 Å²	79	50.7 Å²	50.7	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-92.4	-18.2	178.2	-67.5	-176.2	-102.3	0	0	113.6	M529 E530 D531 T535 L610	M529-Q533 WeakPolarHBondContact O-CB 3.44Å; M529-Q533 VanDerWaalsContact O-CG 3.27Å; M529-Q533 WeakPolarHBondContact O-CG 3.49Å; M529-Q533 PolarHBondContact O-N 3.05Å; M529-Q533 VanDerWaalsContact O-N 3.14Å; M529-Q533 PolarHBondContact O-OE1 3.18Å; E530-Q533 CarbonylContact O-C 3.6Å; E530-Q533 PolarHBondContact O-N 2.95Å; E530-Q533 VanDerWaalsContact O-N 3.1Å; D531-Q533 VanDerWaalsContact C-N 3.29Å; D531-Q533 PolarHBondContact O-N 2.78Å; Q533-T535 PolarHBondContact O-N 3.46Å; Q533-L610 HydrophobicContact CG-CD1 3.98Å; Q533-L610 HydrophobicContact CG-CD2 3.84Å
534	D	89.9	Confident	91.4	Very high	45 Å²	45	48.2 Å²	48.2	24%	0.241	24%	0.241	C	C	.	.			trans	-56.8	127.8	-172.7	-172	56.2	0	0	0	113.5	K398 E530 R614	K398-D534 WeakPolarHBondContact CE-OD1 3.46Å; K398-D534 IonicContact NZ-OD1 2.78Å; K398-D534 PolarHBondContact NZ-OD1 3.39Å; K398-D534 IonicContact NZ-OD2 2.81Å; K398-D534 PolarHBondContact NZ-OD2 3.29Å; E530-D534 PolarHBondContact O-N 2.99Å; D534-R614 VanDerWaalsContact O-CZ 3.25Å; D534-R614 PolarHBondContact O-NH1 3.21Å; D534-R614 PolarHBondContact O-NH2 3.26Å
535	T	88.1	Confident	91.4	Very high	28 Å²	28	48.5 Å²	48.5	17%	0.172	25%	0.246	C	C	.	.			trans	-76.9	134.1	177.3	54.6	0	0	0	0	111.1	H394 K398 Q533	H394-T535 PolarHBondContact NE2-O 2.85Å; K398-T535 PolarHBondContact NZ-O 2.95Å; Q533-T535 PolarHBondContact O-N 3.46Å
536	F	89.9	Confident	91.5	Very high	50 Å²	50	50.4 Å²	50.4	22%	0.219	27%	0.266	C	S	.	.			trans	-122.8	148.5	-179.2	53.6	-82.1	0	0	0	111.9	V538 I544 L547 L618 E621	F536-V538 HydrophobicContact CD2-CG1 4.29Å; F536-I544 HydrophobicContact CD2-CD1 4.45Å; F536-I544 HydrophobicContact CE2-CD1 3.76Å; F536-L547 HydrophobicContact CB-CD1 3.92Å; F536-L547 HydrophobicContact CD2-CD1 3.52Å; F536-L547 HydrophobicContact CE2-CD1 4.15Å; F536-L547 HydrophobicContact CG-CD1 3.78Å; F536-L618 HydrophobicContact CE1-CD2 4.2Å; F536-L618 HydrophobicContact CE2-CD2 4.02Å; F536-L618 HydrophobicContact CZ-CD2 3.66Å; F536-L618 HydrophobicContact CZ-CG 4.29Å; F536-E621 HydrophobicContact CE2-CB 4.01Å; F536-E621 HydrophobicContact CE2-CG 3.9Å
537	I	86.3	Confident	91.8	Very high	61 Å²	61	51.8 Å²	51.8	31%	0.313	27%	0.274	S	S	.	.			trans	-114.1	137.7	163.7	-54.4	-179.2	0	0	0	107	H394	H394-I537 HydrophobicContact CB-CD1 3.8Å; H394-I537 HydrophobicContact CB-CG1 4.36Å; H394-I537 WeakPolarHBondContact ND1-CG1 3.45Å
538	V	89.8	Confident	92	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.036	27%	0.274	C	S	.	.			trans	-136	143.2	173.7	-67.3	0	0	0	0	109.3	F536 E543 I544 L547 E621 Q625	F536-V538 HydrophobicContact CD2-CG1 4.29Å; V538-E543 VanDerWaalsContact CA-OE2 3.31Å; V538-E543 WeakPolarHBondContact CA-OE2 3.21Å; V538-E543 HydrophobicContact CB-CB 3.98Å; V538-E543 HydrophobicContact CG1-CB 3.77Å; V538-I544 HydrophobicContact CB-CB 4.47Å; V538-I544 HydrophobicContact CG1-CB 4.45Å; V538-I544 HydrophobicContact CG2-CB 4.05Å; V538-I544 HydrophobicContact CG2-CD1 4.42Å; V538-L547 HydrophobicContact CG1-CD1 3.66Å; V538-E621 HydrophobicContact CG2-CG 3.39Å; V538-E621 WeakPolarHBondContact CG2-OE1 3.36Å; V538-Q625 HydrophobicContact CG2-CG 4.01Å; V538-Q625 PolarHBondContact O-NE2 3.5Å
539	H	87	Confident	92.1	Very high	111 Å²	111	56.1 Å²	56.1	51%	0.514	30%	0.295	S	S	.	.			trans	-115.7	-12.2	-176.2	-50.8	87.5	0	0	0	112.1	E543 Q625 R632	H539-E543 PolarHBondContact N-OE2 2.9Å; H539-E543 IonicContact ND1-OE2 4Å; H539-Q625 PolarHBondContact O-OE1 3.07Å; H539-R632 PolarHBondContact O-NH2 2.98Å; H539-R632 VanDerWaalsContact O-NH2 3.14Å
540	T	90	Very high	92.2	Very high	44 Å²	44	56.8 Å²	56.8	27%	0.27	31%	0.307	S	S	.	.	S	Bend	trans	-133.3	156.8	-176.5	69.9	0	0	0	0	112.5	E542 E543	T540-E542 PolarHBondContact O-N 3.36Å; T540-E543 WeakPolarHBondContact CG2-OE1 3.31Å; T540-E543 VanDerWaalsContact OG1-CG 3.3Å; T540-E543 WeakPolarHBondContact OG1-CG 3.48Å; T540-E543 PolarHBondContact OG1-N 3.4Å; T540-E543 PolarHBondContact OG1-OE1 2.65Å
541	I	92.9	Very high	92.5	Very high	42 Å²	42	56.2 Å²	56.2	22%	0.215	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-32.4	172.7	-68.2	176.3	0	0	0	111.4	I544 Q545 Q625 Q626 E629	I541-I544 WeakPolarHBondContact O-CG2 3.35Å; I541-Q545 HydrophobicContact CG2-CG 4.23Å; I541-Q545 WeakPolarHBondContact O-CB 3.48Å; I541-Q545 VanDerWaalsContact O-CG 3.23Å; I541-Q545 WeakPolarHBondContact O-CG 3.43Å; I541-Q545 PolarHBondContact O-N 3.26Å; I541-Q625 HydrophobicContact CG1-CB 3.88Å; I541-Q626 HydrophobicContact CD1-CG 4.36Å; I541-E629 HydrophobicContact CD1-CB 3.56Å; I541-E629 HydrophobicContact CD1-CG 3.81Å; I541-E629 HydrophobicContact CG1-CB 4.43Å
542	E	93	Very high	92.8	Very high	145 Å²	145	55.9 Å²	55.9	68%	0.678	30%	0.299	S	S	*	.	H	α-helix	trans	-70.2	-40.9	-177.2	-69.6	167.8	-150.4	0	0	111.4	T540 Q545 G546	T540-E542 PolarHBondContact O-N 3.36Å; E542-Q545 PolarHBondContact O-N 2.86Å; E542-G546 PolarHBondContact O-N 3.04Å
543	E	93.9	Very high	92.9	Very high	76 Å²	76	61.8 Å²	61.8	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-59.5	-49.2	174.1	-75.3	152.7	-133.8	0	0	112.3	V538 H539 T540 Q545 G546 L547	V538-E543 VanDerWaalsContact CA-OE2 3.31Å; V538-E543 WeakPolarHBondContact CA-OE2 3.21Å; V538-E543 HydrophobicContact CB-CB 3.98Å; V538-E543 HydrophobicContact CG1-CB 3.77Å; H539-E543 PolarHBondContact N-OE2 2.9Å; H539-E543 IonicContact ND1-OE2 4Å; T540-E543 WeakPolarHBondContact CG2-OE1 3.31Å; T540-E543 VanDerWaalsContact OG1-CG 3.3Å; T540-E543 WeakPolarHBondContact OG1-CG 3.48Å; T540-E543 PolarHBondContact OG1-N 3.4Å; T540-E543 PolarHBondContact OG1-OE1 2.65Å; E543-Q545 VanDerWaalsContact C-N 3.34Å; E543-Q545 PolarHBondContact O-N 2.66Å; E543-G546 WeakPolarHBondContact O-CA 3.23Å; E543-G546 PolarHBondContact O-N 3.47Å; E543-G546 VanDerWaalsContact O-N 3.13Å; E543-L547 PolarHBondContact O-N 2.97Å
544	I	95.5	Very high	93.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-69.7	-30.9	-179.9	-171.7	57.8	0	0	0	112.5	F536 V538 I541 G546 L547 T548 L618 E621 H622 Q625	F536-I544 HydrophobicContact CD2-CD1 4.45Å; F536-I544 HydrophobicContact CE2-CD1 3.76Å; V538-I544 HydrophobicContact CB-CB 4.47Å; V538-I544 HydrophobicContact CG1-CB 4.45Å; V538-I544 HydrophobicContact CG2-CB 4.05Å; V538-I544 HydrophobicContact CG2-CD1 4.42Å; I541-I544 WeakPolarHBondContact O-CG2 3.35Å; I544-G546 VanDerWaalsContact C-N 3.34Å; I544-L547 HydrophobicContact CD1-CB 4.41Å; I544-L547 HydrophobicContact CD1-CD1 4.33Å; I544-L547 PolarHBondContact O-N 3.25Å; I544-T548 WeakPolarHBondContact O-CB 3.39Å; I544-T548 PolarHBondContact O-N 3.02Å; I544-T548 PolarHBondContact O-OG1 3.25Å; I544-L618 HydrophobicContact CD1-CD2 3.67Å; I544-E621 HydrophobicContact CD1-CB 3.95Å; I544-E621 HydrophobicContact CD1-CG 3.8Å; I544-E621 HydrophobicContact CG1-CB 4.3Å; I544-E621 HydrophobicContact CG1-CG 4.07Å; I544-H622 HydrophobicContact CG1-CB 3.92Å; I544-H622 HydrophobicContact CG2-CB 4.41Å; I544-Q625 HydrophobicContact CG2-CB 4.08Å; I544-Q625 HydrophobicContact CG2-CG 3.99Å
545	Q	95.3	Very high	93.5	Very high	88 Å²	88	59.4 Å²	59.4	41%	0.411	31%	0.313	S	S	.	.	H	α-helix	trans	-67.2	-35.3	170.1	-76.6	177.2	-3.2	0	0	112	I541 E542 E543 T548 T549 H622	I541-Q545 HydrophobicContact CG2-CG 4.23Å; I541-Q545 WeakPolarHBondContact O-CB 3.48Å; I541-Q545 VanDerWaalsContact O-CG 3.23Å; I541-Q545 WeakPolarHBondContact O-CG 3.43Å; I541-Q545 PolarHBondContact O-N 3.26Å; E542-Q545 PolarHBondContact O-N 2.86Å; E543-Q545 VanDerWaalsContact C-N 3.34Å; E543-Q545 PolarHBondContact O-N 2.66Å; Q545-T548 PolarHBondContact O-N 3.15Å; Q545-T549 WeakPolarHBondContact O-CB 3.26Å; Q545-T549 PolarHBondContact O-N 3.2Å; Q545-T549 PolarHBondContact O-OG1 3.41Å; Q545-H622 PolarHBondContact NE2-NE2 3.38Å
546	G	95.4	Very high	93.8	Very high	40 Å²	40	61.6 Å²	61.6	41%	0.412	33%	0.334	S	S	.	.	H	α-helix	trans	-58.9	-53.3	169.9	0	0	0	0	0	112.1	E542 E543 I544 T548 T549 A550	E542-G546 PolarHBondContact O-N 3.04Å; E543-G546 WeakPolarHBondContact O-CA 3.23Å; E543-G546 PolarHBondContact O-N 3.47Å; E543-G546 VanDerWaalsContact O-N 3.13Å; I544-G546 VanDerWaalsContact C-N 3.34Å; G546-T548 VanDerWaalsContact C-N 3.35Å; G546-T548 PolarHBondContact O-N 3.34Å; G546-T549 PolarHBondContact O-N 3.27Å; G546-A550 PolarHBondContact O-N 3.31Å
547	L	95.8	Very high	94.1	Very high	62 Å²	62	62.1 Å²	62.1	33%	0.325	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-41.1	176.9	-68.8	175.9	0	0	0	112.7	F536 V538 E543 I544 T549 A550 H551 L618	F536-L547 HydrophobicContact CB-CD1 3.92Å; F536-L547 HydrophobicContact CD2-CD1 3.52Å; F536-L547 HydrophobicContact CE2-CD1 4.15Å; F536-L547 HydrophobicContact CG-CD1 3.78Å; V538-L547 HydrophobicContact CG1-CD1 3.66Å; E543-L547 PolarHBondContact O-N 2.97Å; I544-L547 HydrophobicContact CD1-CB 4.41Å; I544-L547 HydrophobicContact CD1-CD1 4.33Å; I544-L547 PolarHBondContact O-N 3.25Å; L547-T549 PolarHBondContact O-N 3.44Å; L547-A550 PolarHBondContact O-N 2.91Å; L547-H551 PolarHBondContact O-N 3.09Å; L547-L618 HydrophobicContact CB-CD2 3.78Å
548	T	95.9	Very high	94.5	Very high	44 Å²	44	60.7 Å²	60.7	27%	0.27	33%	0.334	S	S	.	.	H	α-helix	trans	-61.6	-44.4	175.7	-55.2	0	0	0	0	110.9	I544 Q545 G546 H551 E552	I544-T548 WeakPolarHBondContact O-CB 3.39Å; I544-T548 PolarHBondContact O-N 3.02Å; I544-T548 PolarHBondContact O-OG1 3.25Å; Q545-T548 PolarHBondContact O-N 3.15Å; G546-T548 VanDerWaalsContact C-N 3.35Å; G546-T548 PolarHBondContact O-N 3.34Å; T548-H551 PolarHBondContact O-N 3.02Å; T548-E552 PolarHBondContact O-N 3.26Å
549	T	96.5	Very high	94.7	Very high	75 Å²	75	64.1 Å²	64.1	46%	0.46	36%	0.356	S	S	.	.	H	α-helix	trans	-64.5	-41.2	178	-56.9	0	0	0	0	111.9	Q545 G546 L547 H551 E552 Q553	Q545-T549 WeakPolarHBondContact O-CB 3.26Å; Q545-T549 PolarHBondContact O-N 3.2Å; Q545-T549 PolarHBondContact O-OG1 3.41Å; G546-T549 PolarHBondContact O-N 3.27Å; L547-T549 PolarHBondContact O-N 3.44Å; T549-H551 VanDerWaalsContact C-N 3.33Å; T549-H551 PolarHBondContact O-N 3.48Å; T549-E552 PolarHBondContact O-N 3.2Å; T549-Q553 WeakPolarHBondContact O-CG 3.18Å; T549-Q553 PolarHBondContact O-N 3.23Å
550	A	95.7	Very high	95	Very high	53 Å²	53	63.4 Å²	63.4	44%	0.438	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-40	174.7	0	0	0	0	0	111.8	G546 L547 Q553 F554	G546-A550 PolarHBondContact O-N 3.31Å; L547-A550 PolarHBondContact O-N 2.91Å; A550-Q553 PolarHBondContact O-N 2.89Å; A550-F554 PolarHBondContact O-N 3.39Å
551	H	96.7	Very high	95.2	Very high	17 Å²	17	61.9 Å²	61.9	8%	0.079	35%	0.348	C	S	.	.	H	α-helix	trans	-67.5	-38.7	176.4	-172.2	57.3	0	0	0	112.9	L532 L547 T548 T549 F554 K555 V611 D615 L618	L532-H551 VanDerWaalsContact CD2-CE1 3.41Å; L532-H551 WeakPolarHBondContact CD2-CE1 3.27Å; L532-H551 WeakPolarHBondContact CD2-NE2 3.19Å; L547-H551 PolarHBondContact O-N 3.09Å; T548-H551 PolarHBondContact O-N 3.02Å; T549-H551 VanDerWaalsContact C-N 3.33Å; T549-H551 PolarHBondContact O-N 3.48Å; H551-F554 AromaticContact CE1-CD1 3.81Å; H551-F554 PolarHBondContact O-N 3.42Å; H551-K555 WeakPolarHBondContact O-CG 3.48Å; H551-K555 PolarHBondContact O-N 3.08Å; H551-V611 WeakPolarHBondContact NE2-CA 3.22Å; H551-V611 PolarHBondContact NE2-O 2.74Å; H551-D615 IonicContact CD2-OD1 3.18Å; H551-D615 PolarHBondContact CD2-OD1 3.33Å; H551-L618 HydrophobicContact CB-CD1 3.57Å
552	E	96.1	Very high	95.3	Very high	100 Å²	100	62.1 Å²	62.1	47%	0.467	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-41.6	171.4	-69.4	-59.4	157.5	0	0	112.3	T548 T549 K555 A556	T548-E552 PolarHBondContact O-N 3.26Å; T549-E552 PolarHBondContact O-N 3.2Å; E552-K555 PolarHBondContact O-N 3.45Å; E552-K555 WeakPolarHBondContact OE1-CE 3.28Å; E552-K555 IonicContact OE1-NZ 2.69Å; E552-K555 PolarHBondContact OE1-NZ 3.31Å; E552-K555 WeakPolarHBondContact OE2-CE 3.48Å; E552-K555 IonicContact OE2-NZ 3.59Å; E552-K555 PolarHBondContact OE2-NZ 3.22Å; E552-K555 VanDerWaalsContact OE2-NZ 3.16Å; E552-A556 PolarHBondContact O-N 2.95Å
553	Q	96.2	Very high	95.3	Very high	131 Å²	131	61.3 Å²	61.3	61%	0.612	34%	0.344	S	S	*	.	H	α-helix	trans	-62.9	-42.1	174.5	-70.9	174.9	12.5	0	0	111.7	T549 A550 A556	T549-Q553 WeakPolarHBondContact O-CG 3.18Å; T549-Q553 PolarHBondContact O-N 3.23Å; A550-Q553 PolarHBondContact O-N 2.89Å; Q553-A556 WeakPolarHBondContact O-CB 3.33Å; Q553-A556 PolarHBondContact O-N 3.2Å
554	F	96.3	Very high	95.3	Very high	34 Å²	34	60.7 Å²	60.7	15%	0.149	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-48.5	173	173	-96.7	0	0	0	111.6	W524 A528 L532 A550 H551 A556 T557 L558 V607 V611	W524-F554 HydrophobicContact CH2-CZ 4.5Å; W524-F554 AromaticContact CZ2-CE2 3.9Å; W524-F554 HydrophobicContact CZ2-CE2 3.9Å; W524-F554 HydrophobicContact CZ2-CZ 4.17Å; A528-F554 HydrophobicContact CB-CE2 3.8Å; A528-F554 HydrophobicContact CB-CZ 3.67Å; L532-F554 HydrophobicContact CD1-CE1 4.05Å; L532-F554 HydrophobicContact CD1-CZ 4.36Å; L532-F554 HydrophobicContact CD2-CD1 4.28Å; L532-F554 HydrophobicContact CD2-CE1 4.07Å; L532-F554 HydrophobicContact CG-CE1 4.3Å; A550-F554 PolarHBondContact O-N 3.39Å; H551-F554 AromaticContact CE1-CD1 3.81Å; H551-F554 PolarHBondContact O-N 3.42Å; F554-A556 PolarHBondContact O-N 3.3Å; F554-T557 WeakPolarHBondContact O-CB 3.42Å; F554-T557 PolarHBondContact O-N 3.27Å; F554-T557 PolarHBondContact O-OG1 3.05Å; F554-L558 HydrophobicContact CE1-CD2 3.88Å; F554-L558 HydrophobicContact CE1-CG 4.45Å; F554-L558 HydrophobicContact CZ-CD2 3.9Å; F554-V607 HydrophobicContact CZ-CG1 4.45Å; F554-V611 HydrophobicContact CE1-CG2 3.97Å
555	K	96.4	Very high	95.2	Very high	41 Å²	41	62.3 Å²	62.3	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-57.7	-34.2	177.6	-75	-175.5	-59.2	-174.4	0	112.7	H551 E552 T557 L558 V611 D615	H551-K555 WeakPolarHBondContact O-CG 3.48Å; H551-K555 PolarHBondContact O-N 3.08Å; E552-K555 PolarHBondContact O-N 3.45Å; E552-K555 WeakPolarHBondContact OE1-CE 3.28Å; E552-K555 IonicContact OE1-NZ 2.69Å; E552-K555 PolarHBondContact OE1-NZ 3.31Å; E552-K555 WeakPolarHBondContact OE2-CE 3.48Å; E552-K555 IonicContact OE2-NZ 3.59Å; E552-K555 PolarHBondContact OE2-NZ 3.22Å; E552-K555 VanDerWaalsContact OE2-NZ 3.16Å; K555-T557 PolarHBondContact O-N 3.1Å; K555-L558 HydrophobicContact CB-CD1 4.38Å; K555-L558 HydrophobicContact CG-CD1 4.29Å; K555-L558 WeakPolarHBondContact O-CB 3.44Å; K555-L558 WeakPolarHBondContact O-CG 3.38Å; K555-L558 PolarHBondContact O-N 3.41Å; K555-V611 HydrophobicContact CD-CG1 3.67Å; K555-V611 HydrophobicContact CG-CG1 3.74Å; K555-D615 IonicContact NZ-OD1 2.7Å; K555-D615 PolarHBondContact NZ-OD1 2.84Å; K555-D615 IonicContact NZ-OD2 3.11Å; K555-D615 PolarHBondContact NZ-OD2 2.79Å
556	A	95.9	Very high	95.1	Very high	73 Å²	73	62.8 Å²	62.8	60%	0.603	35%	0.352	S	S	*	.	H	α-helix	trans	-64.9	-20	175.7	0	0	0	0	0	114	E552 Q553 F554 P559	E552-A556 PolarHBondContact O-N 2.95Å; Q553-A556 WeakPolarHBondContact O-CB 3.33Å; Q553-A556 PolarHBondContact O-N 3.2Å; F554-A556 PolarHBondContact O-N 3.3Å; A556-P559 WeakPolarHBondContact O-CD 3.14Å
557	T	95	Very high	94.9	Very high	61 Å²	61	62.6 Å²	62.6	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-83.1	-21.7	176.1	71.9	0	0	0	0	113.9	F554 K555 P559 D560 A561	F554-T557 WeakPolarHBondContact O-CB 3.42Å; F554-T557 PolarHBondContact O-N 3.27Å; F554-T557 PolarHBondContact O-OG1 3.05Å; K555-T557 PolarHBondContact O-N 3.1Å; T557-P559 VanDerWaalsContact C-CD 3.43Å; T557-D560 PolarHBondContact O-N 3.17Å; T557-A561 PolarHBondContact O-N 2.97Å; T557-A561 VanDerWaalsContact O-N 3.07Å
558	L	95.2	Very high	94.6	Very high	31 Å²	31	59.7 Å²	59.7	16%	0.162	33%	0.331	C	S	.	.	H	α-helix	trans	-56.1	-38.5	-175.5	-60.4	174.6	0	0	0	114.4	W524 F554 K555 D560 A561 D562 W604 V607 V611	W524-L558 HydrophobicContact CH2-CD2 3.94Å; W524-L558 HydrophobicContact CZ2-CD2 4.39Å; F554-L558 HydrophobicContact CE1-CD2 3.88Å; F554-L558 HydrophobicContact CE1-CG 4.45Å; F554-L558 HydrophobicContact CZ-CD2 3.9Å; K555-L558 HydrophobicContact CB-CD1 4.38Å; K555-L558 HydrophobicContact CG-CD1 4.29Å; K555-L558 WeakPolarHBondContact O-CB 3.44Å; K555-L558 WeakPolarHBondContact O-CG 3.38Å; K555-L558 PolarHBondContact O-N 3.41Å; L558-D560 VanDerWaalsContact C-N 3.28Å; L558-D560 PolarHBondContact O-N 2.8Å; L558-A561 PolarHBondContact O-N 3.26Å; L558-D562 PolarHBondContact O-N 3.11Å; L558-W604 WeakPolarHBondContact O-CH2 3.27Å; L558-V607 HydrophobicContact CD2-CG1 4.42Å; L558-V611 HydrophobicContact CD1-CG1 4.39Å; L558-V611 HydrophobicContact CD1-CG2 3.98Å
559	P	94.5	Very high	94.3	Very high	78 Å²	78	59 Å²	59	51%	0.506	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-28.6	177.6	-22.5	35.2	0	0	0	114.1	A556 T557 K563	A556-P559 WeakPolarHBondContact O-CD 3.14Å; T557-P559 VanDerWaalsContact C-CD 3.43Å; P559-K563 WeakPolarHBondContact O-CG 3.48Å
560	D	93.1	Very high	93.9	Very high	97 Å²	97	57.3 Å²	57.3	52%	0.519	32%	0.323	S	S	.	.	H	α-helix	trans	-83.3	-35.6	176.4	-72.6	-31	0	0	0	111.3	T557 L558 D562 K563 E564	T557-D560 PolarHBondContact O-N 3.17Å; L558-D560 VanDerWaalsContact C-N 3.28Å; L558-D560 PolarHBondContact O-N 2.8Å; D560-D562 VanDerWaalsContact C-N 3.31Å; D560-D562 PolarHBondContact O-N 3.48Å; D560-K563 WeakPolarHBondContact O-CB 3.38Å; D560-K563 PolarHBondContact O-N 2.75Å; D560-K563 WeakPolarHBondContact OD1-CE 3.22Å; D560-K563 IonicContact OD1-NZ 3.5Å; D560-K563 PolarHBondContact OD1-NZ 3.16Å; D560-E564 PolarHBondContact O-N 2.64Å; D560-E564 VanDerWaalsContact O-N 3.11Å
561	A	94.6	Very high	93.3	Very high	11 Å²	11	55.7 Å²	55.7	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-59.6	-38	169.6	0	0	0	0	0	112.5	F521 W524 T557 L558 K563 E564 R565 W604	F521-A561 HydrophobicContact CE2-CB 3.98Å; F521-A561 VanDerWaalsContact CE2-O 3.23Å; F521-A561 WeakPolarHBondContact CE2-O 3.5Å; F521-A561 WeakPolarHBondContact CZ-O 3.49Å; W524-A561 HydrophobicContact CE3-CB 4.42Å; W524-A561 HydrophobicContact CH2-CB 3.46Å; W524-A561 VanDerWaalsContact CH2-CB 3.46Å; W524-A561 HydrophobicContact CZ2-CB 3.92Å; W524-A561 HydrophobicContact CZ3-CB 3.75Å; T557-A561 PolarHBondContact O-N 2.97Å; T557-A561 VanDerWaalsContact O-N 3.07Å; L558-A561 PolarHBondContact O-N 3.26Å; A561-K563 PolarHBondContact O-N 3.37Å; A561-E564 PolarHBondContact O-N 3.37Å; A561-R565 PolarHBondContact O-N 3.47Å; A561-W604 HydrophobicContact CB-CH2 3.87Å; A561-W604 HydrophobicContact CB-CZ3 3.69Å
562	D	94.8	Very high	92.7	Very high	48 Å²	48	56.8 Å²	56.8	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-67.8	-34.1	176	-161.1	48	0	0	0	112.9	L558 D560 E564 R565 L566 W604	L558-D562 PolarHBondContact O-N 3.11Å; D560-D562 VanDerWaalsContact C-N 3.31Å; D560-D562 PolarHBondContact O-N 3.48Å; D562-E564 VanDerWaalsContact C-N 3.34Å; D562-R565 WeakPolarHBondContact O-CB 3.48Å; D562-R565 PolarHBondContact O-N 2.74Å; D562-R565 IonicContact OD1-CZ 3.63Å; D562-R565 IonicContact OD1-NE 3.58Å; D562-R565 PolarHBondContact OD1-NE 3.03Å; D562-R565 IonicContact OD1-NH2 3.22Å; D562-R565 PolarHBondContact OD1-NH2 3.39Å; D562-R565 IonicContact OD2-NH2 2.69Å; D562-L566 WeakPolarHBondContact O-CG 3.46Å; D562-L566 PolarHBondContact O-N 3.15Å; D562-W604 HydrophobicContact CB-CH2 3.93Å; D562-W604 HydrophobicContact CB-CZ2 3.55Å; D562-W604 WeakPolarHBondContact OD1-CZ2 3.45Å; D562-W604 PolarHBondContact OD1-NE1 3.36Å
563	K	93.3	Very high	92	Very high	128 Å²	128	57.3 Å²	57.3	56%	0.557	32%	0.318	S	S	*	.	H	α-helix	trans	-63.9	-41.7	172.9	-66.3	167.3	-163.4	164.2	0	111.1	P559 D560 A561 L566 A567	P559-K563 WeakPolarHBondContact O-CG 3.48Å; D560-K563 WeakPolarHBondContact O-CB 3.38Å; D560-K563 PolarHBondContact O-N 2.75Å; D560-K563 WeakPolarHBondContact OD1-CE 3.22Å; D560-K563 IonicContact OD1-NZ 3.5Å; D560-K563 PolarHBondContact OD1-NZ 3.16Å; A561-K563 PolarHBondContact O-N 3.37Å; K563-L566 PolarHBondContact O-N 3.26Å; K563-A567 WeakPolarHBondContact O-CB 3.49Å; K563-A567 PolarHBondContact O-N 3.36Å
564	E	92.7	Very high	91	Very high	63 Å²	63	55.2 Å²	55.2	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-45.5	177.4	-172.1	56.2	-152.1	0	0	110.9	R517 F521 D560 A561 D562 L566 A567 I568	R517-E564 IonicContact CZ-OE1 2.78Å; R517-E564 VanDerWaalsContact CZ-OE1 3.27Å; R517-E564 IonicContact CZ-OE2 3.57Å; R517-E564 IonicContact NE-OE1 2.67Å; R517-E564 PolarHBondContact NE-OE1 2.9Å; R517-E564 IonicContact NE-OE2 3.25Å; R517-E564 IonicContact NH2-OE1 3.57Å; R517-E564 PolarHBondContact NH2-OE1 3.25Å; R517-E564 IonicContact NH2-OE2 3.67Å; R517-E564 PolarHBondContact NH2-OE2 3.33Å; F521-E564 HydrophobicContact CD2-CB 4.19Å; F521-E564 HydrophobicContact CD2-CG 3.92Å; F521-E564 HydrophobicContact CE2-CB 4.22Å; F521-E564 HydrophobicContact CE2-CG 4.44Å; F521-E564 HydrophobicContact CG-CG 4.44Å; D560-E564 PolarHBondContact O-N 2.64Å; D560-E564 VanDerWaalsContact O-N 3.11Å; A561-E564 PolarHBondContact O-N 3.37Å; D562-E564 VanDerWaalsContact C-N 3.34Å; E564-L566 PolarHBondContact O-N 2.94Å; E564-A567 PolarHBondContact O-N 2.78Å; E564-A567 VanDerWaalsContact O-N 3.17Å; E564-I568 HydrophobicContact CG-CD1 4.01Å; E564-I568 VanDerWaalsContact O-CG1 3.32Å; E564-I568 WeakPolarHBondContact O-CG1 3.12Å; E564-I568 PolarHBondContact O-N 3.34Å
565	R	94.6	Very high	90.1	Very high	34 Å²	34	53.7 Å²	53.7	13%	0.128	30%	0.301	C	S	.	.	H	α-helix	trans	-52.7	-50.4	172.3	-171.9	-176	63.9	80.5	8.6	112.2	F521 A561 D562 A567 I568 L569 I600 N601 W604	F521-R565 HydrophobicContact CE1-CB 3.78Å; F521-R565 HydrophobicContact CE1-CG 4.06Å; F521-R565 HydrophobicContact CZ-CB 3.73Å; F521-R565 HydrophobicContact CZ-CG 4.41Å; A561-R565 PolarHBondContact O-N 3.47Å; D562-R565 WeakPolarHBondContact O-CB 3.48Å; D562-R565 PolarHBondContact O-N 2.74Å; D562-R565 IonicContact OD1-CZ 3.63Å; D562-R565 IonicContact OD1-NE 3.58Å; D562-R565 PolarHBondContact OD1-NE 3.03Å; D562-R565 IonicContact OD1-NH2 3.22Å; D562-R565 PolarHBondContact OD1-NH2 3.39Å; D562-R565 IonicContact OD2-NH2 2.69Å; R565-A567 VanDerWaalsContact C-N 3.32Å; R565-A567 PolarHBondContact O-N 3.33Å; R565-I568 PolarHBondContact O-N 3.42Å; R565-L569 HydrophobicContact CG-CD1 4.32Å; R565-L569 VanDerWaalsContact O-CG 3.31Å; R565-L569 WeakPolarHBondContact O-CG 3.49Å; R565-L569 PolarHBondContact O-N 3.09Å; R565-L569 VanDerWaalsContact O-N 3.09Å; R565-I600 HydrophobicContact CG-CG2 3.78Å; R565-N601 PolarHBondContact NH1-OD1 3.15Å; R565-W604 VanDerWaalsContact CD-CG 3.43Å
566	L	92.8	Very high	89.2	Confident	98 Å²	98	54.2 Å²	54.2	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-38.5	179.8	-71.6	171.2	0	0	0	112.2	D562 K563 E564 G570	D562-L566 WeakPolarHBondContact O-CG 3.46Å; D562-L566 PolarHBondContact O-N 3.15Å; K563-L566 PolarHBondContact O-N 3.26Å; E564-L566 PolarHBondContact O-N 2.94Å; L566-G570 PolarHBondContact O-N 3.42Å
567	A	91.2	Very high	88	Confident	36 Å²	36	56 Å²	56	30%	0.298	31%	0.305	S	S	.	.	H	α-helix	trans	-69.8	-40	178.1	0	0	0	0	0	112.6	R517 K563 E564 R565 G570 I571	R517-A567 VanDerWaalsContact NH2-CB 3.26Å; K563-A567 WeakPolarHBondContact O-CB 3.49Å; K563-A567 PolarHBondContact O-N 3.36Å; E564-A567 PolarHBondContact O-N 2.78Å; E564-A567 VanDerWaalsContact O-N 3.17Å; R565-A567 VanDerWaalsContact C-N 3.32Å; R565-A567 PolarHBondContact O-N 3.33Å; A567-G570 PolarHBondContact O-N 3.26Å; A567-I571 PolarHBondContact O-N 3.46Å
568	I	89.3	Confident	86.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-49	173.2	-69.4	160.9	0	0	0	110.5	Y514 R517 A518 F521 E564 R565 G570 I571 I600	Y514-I568 HydrophobicContact CD2-CG2 3.77Å; Y514-I568 VanDerWaalsContact CD2-O 3.27Å; Y514-I568 WeakPolarHBondContact CD2-O 3.26Å; Y514-I568 HydrophobicContact CE2-CG2 3.48Å; Y514-I568 VanDerWaalsContact CE2-CG2 3.48Å; R517-I568 HydrophobicContact CB-CD1 4.12Å; R517-I568 HydrophobicContact CB-CG1 3.6Å; A518-I568 HydrophobicContact CB-CG2 4.1Å; F521-I568 HydrophobicContact CB-CD1 3.62Å; F521-I568 HydrophobicContact CD1-CD1 3.81Å; F521-I568 HydrophobicContact CG-CD1 3.72Å; E564-I568 HydrophobicContact CG-CD1 4.01Å; E564-I568 VanDerWaalsContact O-CG1 3.32Å; E564-I568 WeakPolarHBondContact O-CG1 3.12Å; E564-I568 PolarHBondContact O-N 3.34Å; R565-I568 PolarHBondContact O-N 3.42Å; I568-G570 PolarHBondContact O-N 2.89Å; I568-I571 PolarHBondContact O-N 3.48Å; I568-I600 HydrophobicContact CG2-CD1 3.72Å
569	L	89.3	Confident	85.2	Confident	31 Å²	31	55 Å²	55	16%	0.162	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-31.9	178.1	-67.3	171.1	0	0	0	112.5	R565 N573 P597	R565-L569 HydrophobicContact CG-CD1 4.32Å; R565-L569 VanDerWaalsContact O-CG 3.31Å; R565-L569 WeakPolarHBondContact O-CG 3.49Å; R565-L569 PolarHBondContact O-N 3.09Å; R565-L569 VanDerWaalsContact O-N 3.09Å; L569-N573 PolarHBondContact O-ND2 3.02Å; L569-P597 HydrophobicContact CD2-CB 3.65Å
570	G	87.1	Confident	83.9	Confident	38 Å²	38	58.9 Å²	58.9	39%	0.392	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-41.4	175.7	0	0	0	0	0	114.1	L566 A567 I568 N573	L566-G570 PolarHBondContact O-N 3.42Å; A567-G570 PolarHBondContact O-N 3.26Å; I568-G570 PolarHBondContact O-N 2.89Å; G570-N573 PolarHBondContact O-N 3.12Å
571	I	85	Confident	82.3	Confident	19 Å²	19	58.3 Å²	58.3	10%	0.097	31%	0.309	C	S	.	.	H	α-helix	trans	-67	-40.9	-176.9	-57.3	166.3	0	0	0	111	L510 E513 A567 I568 N573 E574 V575	L510-I571 VanDerWaalsContact O-CG2 3.32Å; L510-I571 WeakPolarHBondContact O-CG2 3.32Å; E513-I571 HydrophobicContact CB-CD1 4.35Å; E513-I571 HydrophobicContact CB-CG2 4.4Å; E513-I571 HydrophobicContact CG-CD1 3.93Å; A567-I571 PolarHBondContact O-N 3.46Å; I568-I571 PolarHBondContact O-N 3.48Å; I571-N573 VanDerWaalsContact C-N 3.26Å; I571-N573 PolarHBondContact O-N 3.46Å; I571-E574 PolarHBondContact O-N 2.95Å; I571-E574 VanDerWaalsContact O-N 3.16Å; I571-V575 PolarHBondContact O-N 3.48Å
572	H	83.1	Confident	80.4	Confident	41 Å²	41	66 Å²	66	19%	0.19	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-38.8	178.6	178.7	79.7	0	0	0	112.4	Y514 E574 V575 S576 P597	Y514-H572 HydrophobicContact CD2-CB 3.81Å; Y514-H572 HydrophobicContact CE2-CB 3.8Å; H572-E574 VanDerWaalsContact C-N 3.3Å; H572-E574 PolarHBondContact O-N 3.47Å; H572-V575 PolarHBondContact O-N 3.46Å; H572-S576 PolarHBondContact O-N 3.38Å; H572-S576 PolarHBondContact O-OG 3.01Å; H572-P597 HydrophobicContact CB-CG 4.3Å
573	N	81.3	Confident	78.4	Confident	111 Å²	111	71.7 Å²	71.7	59%	0.594	36%	0.361	S	S	*	.	H	α-helix	trans	-64.5	-32.9	180	-64.5	-30.4	0	0	0	112.7	L569 G570 I571	L569-N573 PolarHBondContact O-ND2 3.02Å; G570-N573 PolarHBondContact O-N 3.12Å; I571-N573 VanDerWaalsContact C-N 3.26Å; I571-N573 PolarHBondContact O-N 3.46Å
574	E	76.5	Confident	76.6	Confident	86 Å²	86	67.8 Å²	67.8	40%	0.402	35%	0.348	S	S	.	.	H	α-helix	trans	-78.7	-31	-179.6	-169.9	63	-164.2	0	0	112.5	I571 H572 K577 I578	I571-E574 PolarHBondContact O-N 2.95Å; I571-E574 VanDerWaalsContact O-N 3.16Å; H572-E574 VanDerWaalsContact C-N 3.3Å; H572-E574 PolarHBondContact O-N 3.47Å; E574-K577 WeakPolarHBondContact O-CB 3.39Å; E574-K577 PolarHBondContact O-N 3.39Å; E574-K577 IonicContact OE1-NZ 2.65Å; E574-K577 PolarHBondContact OE1-NZ 2.97Å; E574-K577 VanDerWaalsContact OE2-CD 3.32Å; E574-K577 WeakPolarHBondContact OE2-CD 3.44Å; E574-K577 IonicContact OE2-NZ 2.8Å; E574-K577 PolarHBondContact OE2-NZ 3.49Å; E574-I578 PolarHBondContact O-N 2.96Å
575	V	76.2	Confident	74.9	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.012	38%	0.375	C	S	.	.	H	α-helix	trans	-71.2	-39.1	176.1	-167.5	0	0	0	0	112.1	I507 L510 Y511 I571 H572 K577 I578 V579	I507-V575 HydrophobicContact CG2-CG1 4.42Å; L510-V575 HydrophobicContact CB-CG2 3.59Å; Y511-V575 HydrophobicContact CD1-CB 3.74Å; Y511-V575 HydrophobicContact CD1-CG1 3.56Å; Y511-V575 HydrophobicContact CD1-CG2 3.74Å; Y511-V575 HydrophobicContact CD2-CG1 3.68Å; Y511-V575 HydrophobicContact CE1-CB 3.61Å; Y511-V575 HydrophobicContact CE1-CG1 3.39Å; Y511-V575 HydrophobicContact CE1-CG2 4.15Å; Y511-V575 HydrophobicContact CE2-CG1 3.52Å; Y511-V575 HydrophobicContact CG-CB 4.31Å; Y511-V575 HydrophobicContact CG-CG1 3.7Å; Y511-V575 HydrophobicContact CG-CG2 4.17Å; I571-V575 PolarHBondContact O-N 3.48Å; H572-V575 PolarHBondContact O-N 3.46Å; V575-K577 PolarHBondContact O-N 3.42Å; V575-K577 VanDerWaalsContact O-N 3.14Å; V575-I578 PolarHBondContact O-N 3.49Å; V575-V579 HydrophobicContact CG1-CG2 4.28Å; V575-V579 PolarHBondContact O-N 3.5Å; V575-V579 VanDerWaalsContact O-N 3.11Å
576	S	77.1	Confident	73.2	Confident	53 Å²	53	71.5 Å²	71.5	37%	0.371	37%	0.372	S	S	.	.	H	α-helix	trans	-53.6	-34.9	176.3	-64.9	0	0	0	0	112.6	H572 Q580	H572-S576 PolarHBondContact O-N 3.38Å; H572-S576 PolarHBondContact O-OG 3.01Å; S576-Q580 PolarHBondContact O-N 2.92Å
577	K	71.4	Confident	71.3	Confident	111 Å²	111	70 Å²	70	48%	0.483	37%	0.374	S	S	.	.	H	α-helix	trans	-72.9	-33.6	176.3	172.9	-166.4	177.4	-162.7	0	113.6	E574 V575 T581	E574-K577 WeakPolarHBondContact O-CB 3.39Å; E574-K577 PolarHBondContact O-N 3.39Å; E574-K577 IonicContact OE1-NZ 2.65Å; E574-K577 PolarHBondContact OE1-NZ 2.97Å; E574-K577 VanDerWaalsContact OE2-CD 3.32Å; E574-K577 WeakPolarHBondContact OE2-CD 3.44Å; E574-K577 IonicContact OE2-NZ 2.8Å; E574-K577 PolarHBondContact OE2-NZ 3.49Å; V575-K577 PolarHBondContact O-N 3.42Å; V575-K577 VanDerWaalsContact O-N 3.14Å; K577-T581 PolarHBondContact O-OG1 3.32Å
578	I	63	Low	69.7	Low	48 Å²	48	70.9 Å²	70.9	25%	0.246	39%	0.387	C	S	.	.	H	α-helix	trans	-74.7	-45.2	178.9	-66.9	170.3	0	0	0	111.2	L510 E574 V575 Q580 T581 Y582	L510-I578 HydrophobicContact CD1-CD1 3.31Å; E574-I578 PolarHBondContact O-N 2.96Å; V575-I578 PolarHBondContact O-N 3.49Å; I578-Q580 VanDerWaalsContact C-N 3.27Å; I578-Q580 PolarHBondContact O-N 2.83Å; I578-T581 WeakPolarHBondContact O-CB 3.49Å; I578-T581 PolarHBondContact O-N 3.22Å; I578-Y582 HydrophobicContact CG2-CD2 4.26Å; I578-Y582 PolarHBondContact O-N 3.08Å
579	V	68.7	Low	68.5	Low	21 Å²	21	75.7 Å²	75.7	13%	0.127	42%	0.416	C	S	.	.	H	α-helix	trans	-58.6	-41.6	178.5	175.5	0	0	0	0	110.7	V575 T581	V575-V579 HydrophobicContact CG1-CG2 4.28Å; V575-V579 PolarHBondContact O-N 3.5Å; V575-V579 VanDerWaalsContact O-N 3.11Å; V579-T581 PolarHBondContact O-N 3.13Å
580	Q	66.9	Low	67.4	Low	160 Å²	160	75 Å²	75	75%	0.748	41%	0.413	S	S	*	.	H	α-helix	trans	-60.9	-23.7	176.2	-167.8	175.5	17.4	0	0	113.9	S576 I578	S576-Q580 PolarHBondContact O-N 2.92Å; I578-Q580 VanDerWaalsContact C-N 3.27Å; I578-Q580 PolarHBondContact O-N 2.83Å
581	T	58.7	Low	66	Low	85 Å²	85	73.7 Å²	73.7	52%	0.521	40%	0.397	S	S	.	.	H	α-helix	trans	-84.6	-44.4	-175.2	-58.7	0	0	0	0	112.5	K577 I578 V579 H583	K577-T581 PolarHBondContact O-OG1 3.32Å; I578-T581 WeakPolarHBondContact O-CB 3.49Å; I578-T581 PolarHBondContact O-N 3.22Å; V579-T581 PolarHBondContact O-N 3.13Å; T581-H583 PolarHBondContact O-ND1 3.01Å; T581-H583 VanDerWaalsContact O-ND1 3.14Å
582	Y	54.7	Low	64.9	Low	173 Å²	173	73.1 Å²	73.1	68%	0.678	39%	0.394	S	S	*	.	H	α-helix	trans	-94.5	2.5	-167.1	-74.1	-81.3	0	0	0	115.6	I578 V584	I578-Y582 HydrophobicContact CG2-CD2 4.26Å; I578-Y582 PolarHBondContact O-N 3.08Å; Y582-V584 PolarHBondContact O-N 3Å
583	H	52.9	Low	64.5	Low	167 Å²	167	71.9 Å²	71.9	77%	0.773	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	30	177.7	-61.3	69.7	0	0	0	113.4	T581	T581-H583 PolarHBondContact O-ND1 3.01Å; T581-H583 VanDerWaalsContact O-ND1 3.14Å
584	V	56.4	Low	64	Low	47 Å²	47	71 Å²	71	29%	0.285	39%	0.388	S	S	.	.			trans	-72.7	128.2	173.3	-174.9	0	0	0	0	107.2	L504 I507 Y582 M586	L504-V584 HydrophobicContact CD1-CG1 4.36Å; I507-V584 HydrophobicContact CD1-CB 4.45Å; I507-V584 HydrophobicContact CD1-CG1 4.34Å; I507-V584 HydrophobicContact CD1-CG2 4.13Å; Y582-V584 PolarHBondContact O-N 3Å; V584-M586 HydrophobicContact CG1-CB 4.37Å; V584-M586 HydrophobicContact CG1-CG 3.88Å; V584-M586 HydrophobicContact CG1-SD 3.79Å; V584-M586 PolarHBondContact O-N 3.32Å
585	N	55.7	Low	64.1	Low	161 Å²	161	67.7 Å²	67.7	86%	0.861	37%	0.373	S	S	*	.			trans	-72.5	54.5	174.1	-82.7	-11.7	0	0	0	111.5
586	M	59.4	Low	64.5	Low	14 Å²	14	69.7 Å²	69.7	7%	0.069	39%	0.385	C	S	.	.			trans	-97.7	122.5	163.9	-80.4	163.9	64.3	0	0	107.8	S428 L504 I507 Y511 V584 G588	S428-M586 WeakPolarHBondContact OG-CE 3.44Å; S428-M586 PolarHBondContact OG-SD 3.15Å; L504-M586 HydrophobicContact CD1-SD 4.03Å; I507-M586 HydrophobicContact CB-CE 4.24Å; I507-M586 HydrophobicContact CD1-CE 4.35Å; I507-M586 HydrophobicContact CD1-SD 3.67Å; I507-M586 HydrophobicContact CG2-CE 3.61Å; I507-M586 HydrophobicContact CG2-SD 4.35Å; Y511-M586 HydrophobicContact CE2-CE 4.16Å; V584-M586 HydrophobicContact CG1-CB 4.37Å; V584-M586 HydrophobicContact CG1-CG 3.88Å; V584-M586 HydrophobicContact CG1-SD 3.79Å; V584-M586 PolarHBondContact O-N 3.32Å; M586-G588 PolarHBondContact O-N 3.37Å
587	A	53.3	Low	65	Low	67 Å²	67	68.5 Å²	68.5	55%	0.554	38%	0.376	S	S	*	.			trans	-56.7	137.5	165	0	0	0	0	0	108.5	T589	A587-T589 PolarHBondContact O-N 3.48Å; A587-T589 PolarHBondContact O-OG1 2.8Å
588	G	56.7	Low	65.8	Low	54 Å²	54	70.7 Å²	70.7	56%	0.557	39%	0.388	S	S	*	.	S	Bend	trans	-69.7	28.4	-166.6	0	0	0	0	0	116.8	M586	M586-G588 PolarHBondContact O-N 3.37Å
589	T	65.6	Low	66.9	Low	101 Å²	101	72.4 Å²	72.4	62%	0.62	40%	0.395	S	S	*	.	S	Bend	trans	-97.9	130.6	-179.9	42.2	0	0	0	0	110.8	A587 P591	A587-T589 PolarHBondContact O-N 3.48Å; A587-T589 PolarHBondContact O-OG1 2.8Å; T589-P591 WeakPolarHBondContact O-CD 3.06Å
590	N	66.8	Low	68	Low	16 Å²	16	71.4 Å²	71.4	9%	0.086	39%	0.389	C	S	.	.			trans	-58	122	174.6	-176.3	-32.6	0	0	0	109.3	Y511 Y514 Y592	Y511-N590 HydrophobicContact CD1-CB 3.57Å; Y511-N590 VanDerWaalsContact CD1-CG 3.43Å; Y511-N590 WeakPolarHBondContact CD1-ND2 3.38Å; Y511-N590 HydrophobicContact CE1-CB 3.76Å; Y511-N590 HydrophobicContact CG-CB 4.23Å; Y511-N590 PolarHBondContact O-ND2 2.85Å; Y511-N590 PolarHBondContact O-OD1 2.58Å; Y514-N590 WeakPolarHBondContact CD1-ND2 3.46Å; N590-Y592 PolarHBondContact OD1-N 3.41Å
591	P	57.7	Low	69.2	Low	10 Å²	10	66 Å²	66	7%	0.065	37%	0.365	C	S	.	.	S	Bend	trans	-86.7	-16.6	-172.6	35.6	-35.4	0	0	0	112.8	S428 A432 K436 Y511 T589	S428-P591 WeakPolarHBondContact O-CB 3.39Å; S428-P591 WeakPolarHBondContact O-CG 3.38Å; A432-P591 HydrophobicContact CB-CB 3.54Å; A432-P591 HydrophobicContact CB-CG 3.84Å; A432-P591 VanDerWaalsContact CB-O 3.24Å; A432-P591 WeakPolarHBondContact CB-O 3.37Å; K436-P591 WeakPolarHBondContact CD-O 3.33Å; K436-P591 WeakPolarHBondContact CE-O 3.29Å; K436-P591 WeakPolarHBondContact CG-O 3.14Å; K436-P591 PolarHBondContact NZ-O 2.92Å; Y511-P591 HydrophobicContact CD2-CG 4.11Å; T589-P591 WeakPolarHBondContact O-CD 3.06Å
592	Y	60.7	Low	70.9	Confident	7 Å²	7	64 Å²	64	3%	0.027	36%	0.362	C	S	.	.	S	Bend	trans	-85.3	-10.6	-176.9	-57.3	-82.2	0	0	0	114.7	S428 A432 K435 D508 Y511 L512 A515 N590	S428-Y592 WeakPolarHBondContact CA-OH 3.35Å; S428-Y592 PolarHBondContact O-OH 2.93Å; A432-Y592 VanDerWaalsContact CA-CE1 3.47Å; A432-Y592 HydrophobicContact CB-CD1 3.53Å; A432-Y592 HydrophobicContact CB-CD2 4.26Å; A432-Y592 HydrophobicContact CB-CE1 3.29Å; A432-Y592 HydrophobicContact CB-CE2 4.05Å; A432-Y592 HydrophobicContact CB-CG 3.96Å; K435-Y592 HydrophobicContact CB-CD1 4.03Å; K435-Y592 HydrophobicContact CD-CD1 3.65Å; K435-Y592 HydrophobicContact CD-CE1 3.75Å; D508-Y592 VanDerWaalsContact CA-CZ 3.48Å; D508-Y592 WeakPolarHBondContact CA-OH 3.43Å; D508-Y592 HydrophobicContact CB-CE1 4.41Å; D508-Y592 HydrophobicContact CB-CE2 4.37Å; D508-Y592 WeakPolarHBondContact CB-OH 3.47Å; D508-Y592 VanDerWaalsContact CG-CE1 3.47Å; D508-Y592 WeakPolarHBondContact O-CE2 3.41Å; D508-Y592 WeakPolarHBondContact OD1-CE1 3.41Å; D508-Y592 PolarHBondContact OD1-OH 3.38Å; Y511-Y592 VanDerWaalsContact CB-CD2 3.48Å; L512-Y592 HydrophobicContact CB-CD1 4.47Å; L512-Y592 HydrophobicContact CB-CD2 4.37Å; L512-Y592 HydrophobicContact CB-CG 4.31Å; L512-Y592 HydrophobicContact CD1-CD1 4.13Å; L512-Y592 HydrophobicContact CD1-CG 4.42Å; A515-Y592 VanDerWaalsContact CB-CB 3.45Å; N590-Y592 PolarHBondContact OD1-N 3.41Å
593	T	73.9	Confident	72.7	Confident	15 Å²	15	58.3 Å²	58.3	9%	0.092	34%	0.34	C	S	.	.			trans	-147.5	149.2	175.6	-176.8	0	0	0	0	109.9	K436 Y514 A515 I595	K436-T593 VanDerWaalsContact CE-C 3.42Å; K436-T593 WeakPolarHBondContact CE-O 3.3Å; Y514-T593 HydrophobicContact CD1-CG2 3.73Å; Y514-T593 HydrophobicContact CE1-CG2 3.57Å; A515-T593 HydrophobicContact CB-CG2 3.79Å; T593-I595 VanDerWaalsContact C-N 3.3Å; T593-I595 HydrophobicContact CG2-CB 4.43Å; T593-I595 VanDerWaalsContact OG1-CB 3.32Å; T593-I595 WeakPolarHBondContact OG1-CB 3.24Å; T593-I595 WeakPolarHBondContact OG1-CD1 3.21Å; T593-I595 WeakPolarHBondContact OG1-CG1 3.45Å; T593-I595 PolarHBondContact OG1-N 3.46Å
594	T	71.5	Confident	74.7	Confident	93 Å²	93	50.9 Å²	50.9	57%	0.571	31%	0.306	S	S	*	.	S	Bend	trans	-78.7	-20.9	166.4	50.3	0	0	0	0	111.5	T596	T594-T596 WeakPolarHBondContact O-CG2 3.01Å; T594-T596 PolarHBondContact O-N 3.12Å
595	I	79.3	Confident	76.5	Confident	17 Å²	17	52.2 Å²	52.2	9%	0.087	31%	0.311	C	S	.	.			trans	-65.6	101.4	-171.1	-61.2	158.2	0	0	0	110.5	Y514 A518 A519 N522 T593 E599 I600	Y514-I595 WeakPolarHBondContact CE1-O 3.48Å; Y514-I595 PolarHBondContact OH-O 3.1Å; A518-I595 HydrophobicContact CB-CG2 4.42Å; A519-I595 HydrophobicContact CB-CD1 4.43Å; N522-I595 HydrophobicContact CB-CD1 3.5Å; N522-I595 VanDerWaalsContact CB-CD1 3.5Å; N522-I595 HydrophobicContact CB-CG1 4.26Å; N522-I595 HydrophobicContact CB-CG2 4.41Å; T593-I595 VanDerWaalsContact C-N 3.3Å; T593-I595 HydrophobicContact CG2-CB 4.43Å; T593-I595 VanDerWaalsContact OG1-CB 3.32Å; T593-I595 WeakPolarHBondContact OG1-CB 3.24Å; T593-I595 WeakPolarHBondContact OG1-CD1 3.21Å; T593-I595 WeakPolarHBondContact OG1-CG1 3.45Å; T593-I595 PolarHBondContact OG1-N 3.46Å; I595-E599 WeakPolarHBondContact CA-OE2 3.38Å; I595-I600 HydrophobicContact CG2-CD1 3.79Å; I595-I600 HydrophobicContact CG2-CG1 3.4Å
596	T	85.2	Confident	78.4	Confident	43 Å²	43	47.7 Å²	47.7	26%	0.264	29%	0.285	S	S	.	.			trans	-78.5	155.7	-178.3	66.1	0	0	0	0	111.8	T594 Q598 E599 I600	T594-T596 WeakPolarHBondContact O-CG2 3.01Å; T594-T596 PolarHBondContact O-N 3.12Å; T596-Q598 PolarHBondContact O-N 3.49Å; T596-Q598 VanDerWaalsContact O-N 3.1Å; T596-E599 PolarHBondContact N-OE2 2.85Å; T596-E599 PolarHBondContact O-N 3.47Å; T596-E599 VanDerWaalsContact O-N 3.13Å; T596-E599 WeakPolarHBondContact OG1-CB 3.46Å; T596-E599 WeakPolarHBondContact OG1-CG 3.34Å; T596-E599 PolarHBondContact OG1-N 2.95Å; T596-E599 PolarHBondContact OG1-OE1 2.87Å; T596-I600 PolarHBondContact O-N 3.47Å
597	P	86.6	Confident	80.1	Confident	28 Å²	28	47 Å²	47	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-54.2	-26.4	168.8	-29.7	37.7	0	0	0	113.7	Y514 L569 H572 N601	Y514-P597 HydrophobicContact CE2-CG 4.43Å; Y514-P597 WeakPolarHBondContact OH-CD 3.36Å; L569-P597 HydrophobicContact CD2-CB 3.65Å; H572-P597 HydrophobicContact CB-CG 4.3Å; P597-N601 PolarHBondContact O-N 3.07Å; P597-N601 PolarHBondContact O-ND2 2.84Å
598	Q	87.1	Confident	82.1	Confident	157 Å²	157	51.3 Å²	51.3	73%	0.734	28%	0.283	S	S	*	.	H	α-helix	trans	-76.7	-44	177.8	-68.5	149.2	-30.2	0	0	111.1	T596 N601 G602	T596-Q598 PolarHBondContact O-N 3.49Å; T596-Q598 VanDerWaalsContact O-N 3.1Å; Q598-N601 PolarHBondContact O-N 3.17Å; Q598-G602 PolarHBondContact O-N 3.23Å
599	E	87.7	Confident	84	Confident	84 Å²	84	54 Å²	54	39%	0.393	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-42.3	174.2	-76.9	159.3	-150.5	0	0	112.5	I595 T596 N601 G602 K603	I595-E599 WeakPolarHBondContact CA-OE2 3.38Å; T596-E599 PolarHBondContact N-OE2 2.85Å; T596-E599 PolarHBondContact O-N 3.47Å; T596-E599 VanDerWaalsContact O-N 3.13Å; T596-E599 WeakPolarHBondContact OG1-CB 3.46Å; T596-E599 WeakPolarHBondContact OG1-CG 3.34Å; T596-E599 PolarHBondContact OG1-N 2.95Å; T596-E599 PolarHBondContact OG1-OE1 2.87Å; E599-N601 VanDerWaalsContact C-N 3.33Å; E599-N601 PolarHBondContact O-N 3.41Å; E599-G602 PolarHBondContact O-N 3.38Å; E599-K603 PolarHBondContact O-N 3.13Å
600	I	90.4	Very high	85.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-47.8	176.3	-69	-177.5	0	0	0	110.5	A518 F521 M525 R565 I568 I595 T596 W604	A518-I600 HydrophobicContact CB-CD1 4Å; F521-I600 HydrophobicContact CD1-CG2 4.19Å; F521-I600 HydrophobicContact CE1-CG2 3.96Å; M525-I600 HydrophobicContact CE-CB 4.44Å; M525-I600 HydrophobicContact CE-CG1 4.46Å; M525-I600 HydrophobicContact CE-CG2 4.14Å; R565-I600 HydrophobicContact CG-CG2 3.78Å; I568-I600 HydrophobicContact CG2-CD1 3.72Å; I595-I600 HydrophobicContact CG2-CD1 3.79Å; I595-I600 HydrophobicContact CG2-CG1 3.4Å; T596-I600 PolarHBondContact O-N 3.47Å; I600-W604 WeakPolarHBondContact O-CB 3.26Å; I600-W604 PolarHBondContact O-N 3.45Å
601	N	93	Very high	86.8	Confident	47 Å²	47	49.5 Å²	49.5	25%	0.251	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-38.5	178.3	-71.7	-44.1	0	0	0	111.9	R565 P597 Q598 E599 W604 D605	R565-N601 PolarHBondContact NH1-OD1 3.15Å; P597-N601 PolarHBondContact O-N 3.07Å; P597-N601 PolarHBondContact O-ND2 2.84Å; Q598-N601 PolarHBondContact O-N 3.17Å; E599-N601 VanDerWaalsContact C-N 3.33Å; E599-N601 PolarHBondContact O-N 3.41Å; N601-W604 PolarHBondContact O-N 3.42Å; N601-D605 WeakPolarHBondContact O-CB 3.31Å; N601-D605 PolarHBondContact O-N 2.67Å
602	G	93.9	Very high	88.7	Confident	44 Å²	44	52.6 Å²	52.6	45%	0.454	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-46	176.3	0	0	0	0	0	113.5	Q598 E599 D605 H606	Q598-G602 PolarHBondContact O-N 3.23Å; E599-G602 PolarHBondContact O-N 3.38Å; G602-D605 PolarHBondContact O-N 3.08Å; G602-H606 PolarHBondContact O-N 3.46Å
603	K	92.5	Very high	90.3	Very high	52 Å²	52	59.7 Å²	59.7	23%	0.226	30%	0.301	C	S	.	.	H	α-helix	trans	-66.7	-40.6	174.8	-71.9	-175.5	-177.7	175.8	0	111.8	N522 M525 E526 M529 E599 D605 H606 V607	N522-K603 WeakPolarHBondContact OD1-CD 3.35Å; N522-K603 PolarHBondContact OD1-NZ 3.13Å; M525-K603 HydrophobicContact CB-CB 4.34Å; M525-K603 HydrophobicContact CE-CB 4.04Å; M525-K603 HydrophobicContact SD-CB 3.9Å; E526-K603 HydrophobicContact CG-CD 4.43Å; E526-K603 IonicContact OE1-NZ 3.92Å; E526-K603 PolarHBondContact OE1-NZ 2.92Å; M529-K603 HydrophobicContact SD-CG 4.47Å; E599-K603 PolarHBondContact O-N 3.13Å; K603-D605 PolarHBondContact O-N 3.43Å; K603-H606 WeakPolarHBondContact O-CB 3.46Å; K603-H606 PolarHBondContact O-N 3.03Å; K603-H606 VanDerWaalsContact O-N 3.14Å; K603-V607 WeakPolarHBondContact O-CG2 3.32Å; K603-V607 PolarHBondContact O-N 3.23Å
604	W	95.6	Very high	91.4	Very high	11 Å²	11	60.4 Å²	60.4	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-59.3	-46.1	174.9	179.8	-107.4	0	0	0	112.4	F521 W524 M525 L558 A561 D562 R565 I600 N601 H606 V607 R608	F521-W604 AromaticContact CZ-CE3 3.93Å; F521-W604 HydrophobicContact CZ-CE3 3.93Å; F521-W604 HydrophobicContact CZ-CZ3 4.09Å; W524-W604 AromaticContact CH2-CZ3 3.96Å; W524-W604 HydrophobicContact CH2-CZ3 3.96Å; W524-W604 HydrophobicContact CZ3-CE3 4.27Å; W524-W604 AromaticContact CZ3-CZ3 3.76Å; W524-W604 HydrophobicContact CZ3-CZ3 3.76Å; M525-W604 HydrophobicContact SD-CB 3.98Å; M525-W604 HydrophobicContact SD-CE3 4.32Å; L558-W604 WeakPolarHBondContact O-CH2 3.27Å; A561-W604 HydrophobicContact CB-CH2 3.87Å; A561-W604 HydrophobicContact CB-CZ3 3.69Å; D562-W604 HydrophobicContact CB-CH2 3.93Å; D562-W604 HydrophobicContact CB-CZ2 3.55Å; D562-W604 WeakPolarHBondContact OD1-CZ2 3.45Å; D562-W604 PolarHBondContact OD1-NE1 3.36Å; R565-W604 VanDerWaalsContact CD-CG 3.43Å; I600-W604 WeakPolarHBondContact O-CB 3.26Å; I600-W604 PolarHBondContact O-N 3.45Å; N601-W604 PolarHBondContact O-N 3.42Å; W604-H606 VanDerWaalsContact C-N 3.28Å; W604-H606 PolarHBondContact O-N 3.43Å; W604-V607 PolarHBondContact O-N 2.88Å; W604-R608 HydrophobicContact CZ2-CG 4.49Å; W604-R608 WeakPolarHBondContact O-CG 3.47Å; W604-R608 PolarHBondContact O-N 2.88Å
605	D	94.9	Very high	92.5	Very high	76 Å²	76	58.1 Å²	58.1	41%	0.406	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-31.8	175.9	-73.6	-25.4	0	0	0	111.8	N601 G602 K603 Q609	N601-D605 WeakPolarHBondContact O-CB 3.31Å; N601-D605 PolarHBondContact O-N 2.67Å; G602-D605 PolarHBondContact O-N 3.08Å; K603-D605 PolarHBondContact O-N 3.43Å; D605-Q609 VanDerWaalsContact O-CG 3.28Å; D605-Q609 WeakPolarHBondContact O-CG 3.23Å; D605-Q609 PolarHBondContact O-N 3.09Å
606	H	94.5	Very high	93.3	Very high	66 Å²	66	62.7 Å²	62.7	31%	0.306	31%	0.307	S	S	.	.	H	α-helix	trans	-67.9	-48.2	173.2	-162.6	65.2	0	0	0	112.4	G602 K603 W604 R608 Q609 L610	G602-H606 PolarHBondContact O-N 3.46Å; K603-H606 WeakPolarHBondContact O-CB 3.46Å; K603-H606 PolarHBondContact O-N 3.03Å; K603-H606 VanDerWaalsContact O-N 3.14Å; W604-H606 VanDerWaalsContact C-N 3.28Å; W604-H606 PolarHBondContact O-N 3.43Å; H606-R608 VanDerWaalsContact C-N 3.28Å; H606-R608 PolarHBondContact O-N 3.48Å; H606-Q609 WeakPolarHBondContact O-CB 3.45Å; H606-Q609 PolarHBondContact O-N 3.16Å; H606-L610 WeakPolarHBondContact O-CG 3.43Å; H606-L610 PolarHBondContact O-N 3.32Å
607	V	96	Very high	93.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-53.9	-46.9	172.3	171.6	0	0	0	0	110.2	M525 A528 M529 L532 F554 L558 K603 W604 Q609 L610 V611	M525-V607 HydrophobicContact CB-CG2 4.29Å; M525-V607 HydrophobicContact CG-CG2 4.47Å; A528-V607 HydrophobicContact CB-CG1 4.4Å; A528-V607 HydrophobicContact CB-CG2 4.28Å; M529-V607 HydrophobicContact CG-CG2 3.7Å; L532-V607 HydrophobicContact CD1-CG1 4.11Å; F554-V607 HydrophobicContact CZ-CG1 4.45Å; L558-V607 HydrophobicContact CD2-CG1 4.42Å; K603-V607 WeakPolarHBondContact O-CG2 3.32Å; K603-V607 PolarHBondContact O-N 3.23Å; W604-V607 PolarHBondContact O-N 2.88Å; V607-Q609 VanDerWaalsContact C-N 3.26Å; V607-Q609 PolarHBondContact O-N 3.06Å; V607-L610 PolarHBondContact O-N 2.7Å; V607-L610 VanDerWaalsContact O-N 3.12Å; V607-V611 WeakPolarHBondContact O-CG2 3.44Å; V607-V611 PolarHBondContact O-N 3.14Å
608	R	95.3	Very high	94.2	Very high	157 Å²	157	61.5 Å²	61.5	59%	0.592	30%	0.303	S	S	*	.	H	α-helix	trans	-63.5	-25.9	177.3	-72.9	-173.6	69.9	-161.6	4.8	114.5	W604 H606 P612	W604-R608 HydrophobicContact CZ2-CG 4.49Å; W604-R608 WeakPolarHBondContact O-CG 3.47Å; W604-R608 PolarHBondContact O-N 2.88Å; H606-R608 VanDerWaalsContact C-N 3.28Å; H606-R608 PolarHBondContact O-N 3.48Å; R608-P612 WeakPolarHBondContact O-CD 3.03Å
609	Q	95.8	Very high	94.6	Very high	109 Å²	109	58.5 Å²	58.5	51%	0.509	30%	0.296	S	S	.	.	H	α-helix	trans	-81.4	-30.7	173	-73.6	172.3	30.9	0	0	112.7	D605 H606 V607	D605-Q609 VanDerWaalsContact O-CG 3.28Å; D605-Q609 WeakPolarHBondContact O-CG 3.23Å; D605-Q609 PolarHBondContact O-N 3.09Å; H606-Q609 WeakPolarHBondContact O-CB 3.45Å; H606-Q609 PolarHBondContact O-N 3.16Å; V607-Q609 VanDerWaalsContact C-N 3.26Å; V607-Q609 PolarHBondContact O-N 3.06Å
610	L	95.6	Very high	94.9	Very high	11 Å²	11	60 Å²	60	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-74.8	-37.8	178.9	-71.4	174.1	0	0	0	112.7	M529 L532 Q533 H606 V607 R613 R614	M529-L610 HydrophobicContact CB-CD1 4.14Å; M529-L610 HydrophobicContact CG-CD1 3.99Å; L532-L610 HydrophobicContact CB-CB 3.94Å; L532-L610 HydrophobicContact CB-CD1 4.39Å; L532-L610 HydrophobicContact CD1-CB 3.76Å; L532-L610 HydrophobicContact CG-CB 4.45Å; Q533-L610 HydrophobicContact CG-CD1 3.98Å; Q533-L610 HydrophobicContact CG-CD2 3.84Å; H606-L610 WeakPolarHBondContact O-CG 3.43Å; H606-L610 PolarHBondContact O-N 3.32Å; V607-L610 PolarHBondContact O-N 2.7Å; V607-L610 VanDerWaalsContact O-N 3.12Å; L610-R613 WeakPolarHBondContact O-CB 3.16Å; L610-R613 PolarHBondContact O-N 3.07Å; L610-R614 PolarHBondContact O-N 3.35Å
611	V	96.7	Very high	95.1	Very high	13 Å²	13	61.3 Å²	61.3	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-48.6	-58.1	178.7	169.8	0	0	0	0	113.5	L532 H551 F554 K555 L558 V607 R613 R614 D615	L532-V611 HydrophobicContact CD1-CG2 3.8Å; L532-V611 HydrophobicContact CD2-CG2 4.17Å; H551-V611 WeakPolarHBondContact NE2-CA 3.22Å; H551-V611 PolarHBondContact NE2-O 2.74Å; F554-V611 HydrophobicContact CE1-CG2 3.97Å; K555-V611 HydrophobicContact CD-CG1 3.67Å; K555-V611 HydrophobicContact CG-CG1 3.74Å; L558-V611 HydrophobicContact CD1-CG1 4.39Å; L558-V611 HydrophobicContact CD1-CG2 3.98Å; V607-V611 WeakPolarHBondContact O-CG2 3.44Å; V607-V611 PolarHBondContact O-N 3.14Å; V611-R613 PolarHBondContact O-N 2.87Å; V611-R614 WeakPolarHBondContact O-CB 3.45Å; V611-R614 PolarHBondContact O-N 2.8Å; V611-R614 VanDerWaalsContact O-N 3.08Å; V611-D615 PolarHBondContact O-N 3.2Å
612	P	96.2	Very high	95.2	Very high	74 Å²	74	61.2 Å²	61.2	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-68.2	-20.7	-179.5	27.4	-35.9	0	0	0	113.9	R608 Q616	R608-P612 WeakPolarHBondContact O-CD 3.03Å; P612-Q616 PolarHBondContact O-N 3.04Å
613	R	95.4	Very high	95.3	Very high	157 Å²	157	61.7 Å²	61.7	59%	0.592	31%	0.306	S	S	*	.	H	α-helix	trans	-73.4	-38	171.5	-69	178.6	173.7	176.1	-0.4	111.2	L610 V611 Q616 A617	L610-R613 WeakPolarHBondContact O-CB 3.16Å; L610-R613 PolarHBondContact O-N 3.07Å; V611-R613 PolarHBondContact O-N 2.87Å; R613-Q616 PolarHBondContact O-N 3.02Å; R613-A617 PolarHBondContact O-N 3Å
614	R	95.9	Very high	95.3	Very high	29 Å²	29	63.8 Å²	63.8	11%	0.109	31%	0.313	C	S	.	.	H	α-helix	trans	-66.9	-40.9	175.4	-171.6	54.8	157.3	-149	7.3	111.5	D531 L532 D534 L610 V611 Q616 A617 L618	D531-R614 PolarHBondContact O-NH2 3.12Å; L532-R614 HydrophobicContact CD2-CB 3.85Å; L532-R614 HydrophobicContact CD2-CG 3.96Å; L532-R614 WeakPolarHBondContact O-CD 3.43Å; L532-R614 PolarHBondContact O-NH1 3.47Å; D534-R614 VanDerWaalsContact O-CZ 3.25Å; D534-R614 PolarHBondContact O-NH1 3.21Å; D534-R614 PolarHBondContact O-NH2 3.26Å; L610-R614 PolarHBondContact O-N 3.35Å; V611-R614 WeakPolarHBondContact O-CB 3.45Å; V611-R614 PolarHBondContact O-N 2.8Å; V611-R614 VanDerWaalsContact O-N 3.08Å; R614-Q616 VanDerWaalsContact C-N 3.33Å; R614-Q616 PolarHBondContact O-N 3.4Å; R614-A617 PolarHBondContact O-N 2.76Å; R614-L618 HydrophobicContact CG-CD1 3.96Å; R614-L618 HydrophobicContact CG-CG 4.48Å; R614-L618 WeakPolarHBondContact O-CB 3.15Å; R614-L618 VanDerWaalsContact O-CG 3.31Å; R614-L618 WeakPolarHBondContact O-CG 3.45Å; R614-L618 PolarHBondContact O-N 3.3Å
615	D	95.3	Very high	95.3	Very high	46 Å²	46	63.4 Å²	63.4	25%	0.246	31%	0.311	C	S	.	.	H	α-helix	trans	-53.4	-47.6	169.8	-80.6	-45.9	0	0	0	112.3	H551 K555 V611 T619	H551-D615 IonicContact CD2-OD1 3.18Å; H551-D615 PolarHBondContact CD2-OD1 3.33Å; K555-D615 IonicContact NZ-OD1 2.7Å; K555-D615 PolarHBondContact NZ-OD1 2.84Å; K555-D615 IonicContact NZ-OD2 3.11Å; K555-D615 PolarHBondContact NZ-OD2 2.79Å; V611-D615 PolarHBondContact O-N 3.2Å; D615-T619 WeakPolarHBondContact O-CB 3.33Å; D615-T619 PolarHBondContact O-N 3.43Å; D615-T619 PolarHBondContact O-OG1 3.04Å
616	Q	95.9	Very high	95.3	Very high	113 Å²	113	63.3 Å²	63.3	53%	0.528	31%	0.308	S	S	.	.	H	α-helix	trans	-62.4	-50.8	177.5	-178.6	179.3	-10	0	0	111.7	P612 R613 R614 L618 T619 E620	P612-Q616 PolarHBondContact O-N 3.04Å; R613-Q616 PolarHBondContact O-N 3.02Å; R614-Q616 VanDerWaalsContact C-N 3.33Å; R614-Q616 PolarHBondContact O-N 3.4Å; Q616-L618 VanDerWaalsContact C-N 3.35Å; Q616-L618 PolarHBondContact O-N 2.94Å; Q616-T619 WeakPolarHBondContact O-CB 3.37Å; Q616-T619 PolarHBondContact O-N 2.94Å; Q616-T619 VanDerWaalsContact O-N 3.09Å; Q616-E620 HydrophobicContact CG-CG 4.41Å; Q616-E620 VanDerWaalsContact CG-OE1 3.3Å; Q616-E620 WeakPolarHBondContact CG-OE1 3.45Å; Q616-E620 PolarHBondContact NE2-OE1 2.86Å; Q616-E620 WeakPolarHBondContact O-CG 3.46Å; Q616-E620 PolarHBondContact O-N 2.87Å
617	A	94.5	Very high	95.4	Very high	39 Å²	39	64.7 Å²	64.7	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-41.7	-178.8	0	0	0	0	0	112.7	R613 R614 T619 E620 E621	R613-A617 PolarHBondContact O-N 3Å; R614-A617 PolarHBondContact O-N 2.76Å; A617-T619 VanDerWaalsContact C-N 3.34Å; A617-E620 PolarHBondContact O-N 2.72Å; A617-E621 WeakPolarHBondContact O-CB 3.45Å; A617-E621 PolarHBondContact O-N 3.32Å
618	L	95.7	Very high	95.3	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-36.5	175	-70	166.6	0	0	0	111.9	F536 I544 L547 H551 R614 Q616 H622	F536-L618 HydrophobicContact CE1-CD2 4.2Å; F536-L618 HydrophobicContact CE2-CD2 4.02Å; F536-L618 HydrophobicContact CZ-CD2 3.66Å; F536-L618 HydrophobicContact CZ-CG 4.29Å; I544-L618 HydrophobicContact CD1-CD2 3.67Å; L547-L618 HydrophobicContact CB-CD2 3.78Å; H551-L618 HydrophobicContact CB-CD1 3.57Å; R614-L618 HydrophobicContact CG-CD1 3.96Å; R614-L618 HydrophobicContact CG-CG 4.48Å; R614-L618 WeakPolarHBondContact O-CB 3.15Å; R614-L618 VanDerWaalsContact O-CG 3.31Å; R614-L618 WeakPolarHBondContact O-CG 3.45Å; R614-L618 PolarHBondContact O-N 3.3Å; Q616-L618 VanDerWaalsContact C-N 3.35Å; Q616-L618 PolarHBondContact O-N 2.94Å; L618-H622 VanDerWaalsContact O-CB 3.24Å; L618-H622 WeakPolarHBondContact O-CB 3.46Å; L618-H622 PolarHBondContact O-N 3.31Å
619	T	95.7	Very high	95.3	Very high	95 Å²	95	58.7 Å²	58.7	58%	0.583	29%	0.294	S	S	*	.	H	α-helix	trans	-68.7	-43.1	177.3	-58.3	0	0	0	0	112	D615 Q616 A617 H622 A623	D615-T619 WeakPolarHBondContact O-CB 3.33Å; D615-T619 PolarHBondContact O-N 3.43Å; D615-T619 PolarHBondContact O-OG1 3.04Å; Q616-T619 WeakPolarHBondContact O-CB 3.37Å; Q616-T619 PolarHBondContact O-N 2.94Å; Q616-T619 VanDerWaalsContact O-N 3.09Å; A617-T619 VanDerWaalsContact C-N 3.34Å; T619-H622 PolarHBondContact O-N 2.91Å; T619-A623 WeakPolarHBondContact O-CB 3.35Å; T619-A623 PolarHBondContact O-N 3.39Å
620	E	94.9	Very high	95.4	Very high	114 Å²	114	60.4 Å²	60.4	53%	0.533	30%	0.296	S	S	.	.	H	α-helix	trans	-62.3	-45.4	175.9	-73.3	173.5	-174.5	0	0	110.9	Q616 A617 A623 R624	Q616-E620 HydrophobicContact CG-CG 4.41Å; Q616-E620 VanDerWaalsContact CG-OE1 3.3Å; Q616-E620 WeakPolarHBondContact CG-OE1 3.45Å; Q616-E620 PolarHBondContact NE2-OE1 2.86Å; Q616-E620 WeakPolarHBondContact O-CG 3.46Å; Q616-E620 PolarHBondContact O-N 2.87Å; A617-E620 PolarHBondContact O-N 2.72Å; E620-A623 WeakPolarHBondContact O-CB 3.37Å; E620-A623 PolarHBondContact O-N 3.3Å; E620-R624 PolarHBondContact O-N 2.86Å
621	E	93.6	Very high	95.4	Very high	28 Å²	28	60.3 Å²	60.3	13%	0.131	30%	0.295	C	S	.	.	H	α-helix	trans	-67.5	-39.5	176.9	-176.3	54.9	-151.4	0	0	112.6	F536 V538 I544 A617 A623 R624 Q625	F536-E621 HydrophobicContact CE2-CB 4.01Å; F536-E621 HydrophobicContact CE2-CG 3.9Å; V538-E621 HydrophobicContact CG2-CG 3.39Å; V538-E621 WeakPolarHBondContact CG2-OE1 3.36Å; I544-E621 HydrophobicContact CD1-CB 3.95Å; I544-E621 HydrophobicContact CD1-CG 3.8Å; I544-E621 HydrophobicContact CG1-CB 4.3Å; I544-E621 HydrophobicContact CG1-CG 4.07Å; A617-E621 WeakPolarHBondContact O-CB 3.45Å; A617-E621 PolarHBondContact O-N 3.32Å; E621-A623 VanDerWaalsContact C-N 3.25Å; E621-A623 PolarHBondContact O-N 2.82Å; E621-R624 VanDerWaalsContact CD-NE 3.29Å; E621-R624 VanDerWaalsContact CD-NH2 3.3Å; E621-R624 WeakPolarHBondContact O-CA 3.39Å; E621-R624 WeakPolarHBondContact O-CB 3.5Å; E621-R624 PolarHBondContact O-N 3.2Å; E621-R624 VanDerWaalsContact O-N 3.09Å; E621-R624 IonicContact OE1-CZ 3.38Å; E621-R624 VanDerWaalsContact OE1-CZ 3.32Å; E621-R624 IonicContact OE1-NE 3.49Å; E621-R624 PolarHBondContact OE1-NE 3.2Å; E621-R624 IonicContact OE1-NH2 3.31Å; E621-R624 PolarHBondContact OE1-NH2 3.42Å; E621-R624 IonicContact OE2-CZ 3.69Å; E621-R624 VanDerWaalsContact OE2-CZ 3.32Å; E621-R624 IonicContact OE2-NE 3.54Å; E621-R624 PolarHBondContact OE2-NE 3.12Å; E621-R624 IonicContact OE2-NH2 3.66Å; E621-R624 PolarHBondContact OE2-NH2 3.27Å; E621-Q625 PolarHBondContact O-N 2.89Å; E621-Q625 PolarHBondContact OE1-NE2 3.05Å
622	H	95	Very high	95.4	Very high	46 Å²	46	60.2 Å²	60.2	21%	0.213	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-35.3	174.4	-177	-93.6	0	0	0	111.4	I544 Q545 L618 T619 Q626	I544-H622 HydrophobicContact CG1-CB 3.92Å; I544-H622 HydrophobicContact CG2-CB 4.41Å; Q545-H622 PolarHBondContact NE2-NE2 3.38Å; L618-H622 VanDerWaalsContact O-CB 3.24Å; L618-H622 WeakPolarHBondContact O-CB 3.46Å; L618-H622 PolarHBondContact O-N 3.31Å; T619-H622 PolarHBondContact O-N 2.91Å; H622-Q626 PolarHBondContact CE1-NE2 2.89Å; H622-Q626 WeakPolarHBondContact O-CB 3.48Å; H622-Q626 WeakPolarHBondContact O-CG 3.49Å; H622-Q626 PolarHBondContact O-N 3.06Å
623	A	95.7	Very high	95.4	Very high	53 Å²	53	61.6 Å²	61.6	44%	0.438	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-39.4	171.7	0	0	0	0	0	112.3	T619 E620 E621 Q626 H627	T619-A623 WeakPolarHBondContact O-CB 3.35Å; T619-A623 PolarHBondContact O-N 3.39Å; E620-A623 WeakPolarHBondContact O-CB 3.37Å; E620-A623 PolarHBondContact O-N 3.3Å; E621-A623 VanDerWaalsContact C-N 3.25Å; E621-A623 PolarHBondContact O-N 2.82Å; A623-Q626 PolarHBondContact O-N 3.14Å; A623-H627 PolarHBondContact O-N 2.81Å
624	R	94.1	Very high	95.5	Very high	97 Å²	97	58.4 Å²	58.4	37%	0.366	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-50.9	172.5	-170.3	173.8	73.4	131.6	3.1	111.2	E620 E621 Q626 H627 N628	E620-R624 PolarHBondContact O-N 2.86Å; E621-R624 VanDerWaalsContact CD-NE 3.29Å; E621-R624 VanDerWaalsContact CD-NH2 3.3Å; E621-R624 WeakPolarHBondContact O-CA 3.39Å; E621-R624 WeakPolarHBondContact O-CB 3.5Å; E621-R624 PolarHBondContact O-N 3.2Å; E621-R624 VanDerWaalsContact O-N 3.09Å; E621-R624 IonicContact OE1-CZ 3.38Å; E621-R624 VanDerWaalsContact OE1-CZ 3.32Å; E621-R624 IonicContact OE1-NE 3.49Å; E621-R624 PolarHBondContact OE1-NE 3.2Å; E621-R624 IonicContact OE1-NH2 3.31Å; E621-R624 PolarHBondContact OE1-NH2 3.42Å; E621-R624 IonicContact OE2-CZ 3.69Å; E621-R624 VanDerWaalsContact OE2-CZ 3.32Å; E621-R624 IonicContact OE2-NE 3.54Å; E621-R624 PolarHBondContact OE2-NE 3.12Å; E621-R624 IonicContact OE2-NH2 3.66Å; E621-R624 PolarHBondContact OE2-NH2 3.27Å; R624-Q626 VanDerWaalsContact C-N 3.33Å; R624-Q626 PolarHBondContact O-N 2.89Å; R624-H627 WeakPolarHBondContact O-CA 3.36Å; R624-H627 WeakPolarHBondContact O-CB 3.3Å; R624-H627 PolarHBondContact O-N 2.86Å; R624-N628 VanDerWaalsContact O-CG 3.32Å; R624-N628 PolarHBondContact O-N 3.43Å; R624-N628 PolarHBondContact O-OD1 3.18Å
625	Q	94.6	Very high	95.6	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-34.9	178.6	-64.3	-55.9	-34.4	0	0	113.1	V538 H539 I541 I544 E621 N628 E629	V538-Q625 HydrophobicContact CG2-CG 4.01Å; V538-Q625 PolarHBondContact O-NE2 3.5Å; H539-Q625 PolarHBondContact O-OE1 3.07Å; I541-Q625 HydrophobicContact CG1-CB 3.88Å; I544-Q625 HydrophobicContact CG2-CB 4.08Å; I544-Q625 HydrophobicContact CG2-CG 3.99Å; E621-Q625 PolarHBondContact O-N 2.89Å; E621-Q625 PolarHBondContact OE1-NE2 3.05Å; Q625-N628 PolarHBondContact O-N 3.01Å; Q625-E629 PolarHBondContact O-N 2.92Å
626	Q	95.1	Very high	95.6	Very high	75 Å²	75	55.2 Å²	55.2	35%	0.35	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-36.4	170.2	-79.9	-166.6	2.2	0	0	113.3	I541 H622 A623 R624 R630	I541-Q626 HydrophobicContact CD1-CG 4.36Å; H622-Q626 PolarHBondContact CE1-NE2 2.89Å; H622-Q626 WeakPolarHBondContact O-CB 3.48Å; H622-Q626 WeakPolarHBondContact O-CG 3.49Å; H622-Q626 PolarHBondContact O-N 3.06Å; A623-Q626 PolarHBondContact O-N 3.14Å; R624-Q626 VanDerWaalsContact C-N 3.33Å; R624-Q626 PolarHBondContact O-N 2.89Å; Q626-R630 VanDerWaalsContact O-CG 3.32Å; Q626-R630 WeakPolarHBondContact O-CG 3.26Å; Q626-R630 PolarHBondContact O-N 3.46Å; Q626-R630 PolarHBondContact O-NE 3.32Å
627	H	95.5	Very high	95.7	Very high	94 Å²	94	52.8 Å²	52.8	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-67.1	-46.2	173.9	-179	69.5	0	0	0	110.6	A623 R624 E629 R630 L631	A623-H627 PolarHBondContact O-N 2.81Å; R624-H627 WeakPolarHBondContact O-CA 3.36Å; R624-H627 WeakPolarHBondContact O-CB 3.3Å; R624-H627 PolarHBondContact O-N 2.86Å; H627-E629 VanDerWaalsContact C-N 3.34Å; H627-E629 PolarHBondContact O-N 2.82Å; H627-R630 WeakPolarHBondContact O-CA 3.5Å; H627-R630 WeakPolarHBondContact O-CB 3.4Å; H627-R630 PolarHBondContact O-N 2.66Å; H627-L631 PolarHBondContact O-N 2.7Å
628	N	95.3	Very high	95.8	Very high	11 Å²	11	52.7 Å²	52.7	6%	0.059	26%	0.261	C	S	.	.	H	α-helix	trans	-57.4	-43.9	178.1	-69.2	6.9	0	0	0	112.3	R624 Q625 R630 L631 R632 I700	R624-N628 VanDerWaalsContact O-CG 3.32Å; R624-N628 PolarHBondContact O-N 3.43Å; R624-N628 PolarHBondContact O-OD1 3.18Å; Q625-N628 PolarHBondContact O-N 3.01Å; N628-R630 VanDerWaalsContact C-N 3.31Å; N628-R630 PolarHBondContact O-N 3.41Å; N628-L631 PolarHBondContact O-N 3.43Å; N628-R632 WeakPolarHBondContact O-CG 3.45Å; N628-R632 PolarHBondContact O-N 3.06Å; N628-I700 HydrophobicContact CB-CD1 3.47Å; N628-I700 VanDerWaalsContact CB-CD1 3.47Å; N628-I700 HydrophobicContact CB-CG1 4.02Å
629	E	95.4	Very high	95.9	Very high	20 Å²	20	52.4 Å²	52.4	9%	0.093	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-28.6	174.6	179.5	66.2	-176	0	0	113.3	I541 Q625 H627 K633 K704 H705	I541-E629 HydrophobicContact CD1-CB 3.56Å; I541-E629 HydrophobicContact CD1-CG 3.81Å; I541-E629 HydrophobicContact CG1-CB 4.43Å; Q625-E629 PolarHBondContact O-N 2.92Å; H627-E629 VanDerWaalsContact C-N 3.34Å; H627-E629 PolarHBondContact O-N 2.82Å; E629-K633 HydrophobicContact CG-CD 4.4Å; E629-K633 WeakPolarHBondContact O-CB 3.33Å; E629-K633 WeakPolarHBondContact O-CG 3.48Å; E629-K633 PolarHBondContact O-N 3.45Å; E629-K633 VanDerWaalsContact O-N 3.14Å; E629-K633 WeakPolarHBondContact OE1-CE 3.35Å; E629-K633 IonicContact OE1-NZ 3.38Å; E629-K633 PolarHBondContact OE1-NZ 3.35Å; E629-K704 IonicContact OE2-NZ 2.84Å; E629-H705 IonicContact OE1-CE1 2.97Å; E629-H705 PolarHBondContact OE1-CE1 2.95Å; E629-H705 VanDerWaalsContact OE1-CE1 3.24Å; E629-H705 IonicContact OE1-NE2 3.15Å; E629-H705 PolarHBondContact OE1-NE2 3.36Å; E629-H705 IonicContact OE2-NE2 2.66Å; E629-H705 PolarHBondContact OE2-NE2 3.31Å
630	R	96.6	Very high	96	Very high	146 Å²	146	51.2 Å²	51.2	55%	0.551	25%	0.249	S	C	*	.	H	α-helix	trans	-69.8	-43.5	171.3	-67.9	170	-149	168.1	7.7	110.9	Q626 H627 N628 K633 Q634	Q626-R630 VanDerWaalsContact O-CG 3.32Å; Q626-R630 WeakPolarHBondContact O-CG 3.26Å; Q626-R630 PolarHBondContact O-N 3.46Å; Q626-R630 PolarHBondContact O-NE 3.32Å; H627-R630 WeakPolarHBondContact O-CA 3.5Å; H627-R630 WeakPolarHBondContact O-CB 3.4Å; H627-R630 PolarHBondContact O-N 2.66Å; N628-R630 VanDerWaalsContact C-N 3.31Å; N628-R630 PolarHBondContact O-N 3.41Å; R630-K633 PolarHBondContact O-N 3.07Å; R630-Q634 WeakPolarHBondContact O-CB 3.13Å; R630-Q634 PolarHBondContact O-N 2.99Å
631	L	96.7	Very high	96.1	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-49.9	175.5	-66.1	178.1	0	0	0	111	H627 N628 K633 Q634 F635 L694 I695 A698 I700	H627-L631 PolarHBondContact O-N 2.7Å; N628-L631 PolarHBondContact O-N 3.43Å; L631-K633 VanDerWaalsContact C-N 3.31Å; L631-K633 PolarHBondContact O-N 3.28Å; L631-Q634 PolarHBondContact O-N 2.78Å; L631-Q634 VanDerWaalsContact O-N 3.16Å; L631-F635 PolarHBondContact O-N 2.98Å; L631-L694 HydrophobicContact CD1-CB 4.32Å; L631-L694 HydrophobicContact CD2-CB 3.98Å; L631-L694 HydrophobicContact CD2-CD1 4.21Å; L631-I695 HydrophobicContact CB-CG1 3.84Å; L631-A698 HydrophobicContact CD1-CB 3.89Å; L631-I700 HydrophobicContact CB-CD1 4.25Å; L631-I700 HydrophobicContact CD1-CD1 4.11Å
632	R	96.4	Very high	96.3	Very high	11 Å²	11	48.6 Å²	48.6	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-52.6	-47.6	174.4	-69.4	-177.3	179.7	107.8	-9.1	111.6	H539 N628 G636 I700 D702 N703	H539-R632 PolarHBondContact O-NH2 2.98Å; H539-R632 VanDerWaalsContact O-NH2 3.14Å; N628-R632 WeakPolarHBondContact O-CG 3.45Å; N628-R632 PolarHBondContact O-N 3.06Å; R632-G636 PolarHBondContact O-N 3.12Å; R632-I700 HydrophobicContact CG-CG2 3.74Å; R632-D702 IonicContact CZ-OD1 2.71Å; R632-D702 IonicContact CZ-OD2 2.67Å; R632-D702 PolarHBondContact NE-O 3.07Å; R632-D702 VanDerWaalsContact NE-O 3.16Å; R632-D702 IonicContact NE-OD1 2.64Å; R632-D702 PolarHBondContact NE-OD1 2.9Å; R632-D702 IonicContact NE-OD2 2.87Å; R632-D702 PolarHBondContact NE-OD2 3.35Å; R632-D702 IonicContact NH2-OD1 2.6Å; R632-D702 PolarHBondContact NH2-OD1 3.44Å; R632-D702 IonicContact NH2-OD2 3.14Å; R632-N703 PolarHBondContact O-ND2 3.16Å; R632-N703 PolarHBondContact O-OD1 3.21Å
633	K	96.6	Very high	96.3	Very high	103 Å²	103	46.7 Å²	46.7	45%	0.448	24%	0.236	S	C	.	.	H	α-helix	trans	-66.4	-39.2	178.1	-77.3	171.7	176.7	154.9	0	113.7	E629 R630 L631 G636 A637 H705	E629-K633 HydrophobicContact CG-CD 4.4Å; E629-K633 WeakPolarHBondContact O-CB 3.33Å; E629-K633 WeakPolarHBondContact O-CG 3.48Å; E629-K633 PolarHBondContact O-N 3.45Å; E629-K633 VanDerWaalsContact O-N 3.14Å; E629-K633 WeakPolarHBondContact OE1-CE 3.35Å; E629-K633 IonicContact OE1-NZ 3.38Å; E629-K633 PolarHBondContact OE1-NZ 3.35Å; R630-K633 PolarHBondContact O-N 3.07Å; L631-K633 VanDerWaalsContact C-N 3.31Å; L631-K633 PolarHBondContact O-N 3.28Å; K633-G636 PolarHBondContact O-N 3.41Å; K633-A637 VanDerWaalsContact O-CB 3.26Å; K633-A637 WeakPolarHBondContact O-CB 3.29Å; K633-A637 PolarHBondContact O-N 3.48Å; K633-H705 VanDerWaalsContact CE-CE1 3.42Å; K633-H705 WeakPolarHBondContact CE-CE1 3.5Å
634	Q	96.7	Very high	96.4	Very high	91 Å²	91	46.6 Å²	46.6	43%	0.425	23%	0.23	S	C	.	.	H	α-helix	trans	-64.9	-52.9	180	178.7	172.2	-32.4	0	0	110.7	R630 L631 G636 A637 Q638 D691	R630-Q634 WeakPolarHBondContact O-CB 3.13Å; R630-Q634 PolarHBondContact O-N 2.99Å; L631-Q634 PolarHBondContact O-N 2.78Å; L631-Q634 VanDerWaalsContact O-N 3.16Å; Q634-G636 VanDerWaalsContact C-N 3.35Å; Q634-G636 PolarHBondContact O-N 3.44Å; Q634-A637 PolarHBondContact O-N 3.34Å; Q634-Q638 PolarHBondContact O-N 2.77Å; Q634-Q638 VanDerWaalsContact O-N 3.13Å; Q634-D691 WeakPolarHBondContact CG-OD2 3.42Å; Q634-D691 PolarHBondContact NE2-OD1 3.43Å
635	F	97.5	Very high	96.6	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-57.7	-47.1	173.5	178.8	-85.5	0	0	0	111.4	L631 A637 Q638 A639 L688 D691 H692 I695 N703 T706 Y708 M710	L631-F635 PolarHBondContact O-N 2.98Å; F635-A637 PolarHBondContact O-N 3.47Å; F635-Q638 PolarHBondContact O-N 3.06Å; F635-A639 HydrophobicContact CD1-CB 4.25Å; F635-A639 HydrophobicContact CE1-CB 3.93Å; F635-A639 HydrophobicContact CZ-CB 4.34Å; F635-A639 VanDerWaalsContact O-CB 3.28Å; F635-A639 WeakPolarHBondContact O-CB 3.49Å; F635-A639 PolarHBondContact O-N 3.47Å; F635-L688 HydrophobicContact CD2-CD1 3.51Å; F635-L688 HydrophobicContact CD2-CG 4.05Å; F635-L688 HydrophobicContact CE2-CD1 3.6Å; F635-L688 HydrophobicContact CE2-CD2 4.25Å; F635-L688 HydrophobicContact CE2-CG 3.71Å; F635-L688 HydrophobicContact CG-CD1 4.06Å; F635-L688 HydrophobicContact CZ-CD1 4.24Å; F635-L688 HydrophobicContact CZ-CG 4.41Å; F635-D691 HydrophobicContact CB-CB 4.3Å; F635-D691 HydrophobicContact CD2-CB 4.22Å; F635-H692 HydrophobicContact CD2-CB 4.14Å; F635-H692 HydrophobicContact CE2-CB 3.83Å; F635-I695 HydrophobicContact CB-CD1 3.36Å; F635-I695 HydrophobicContact CD1-CD1 4.42Å; F635-I695 HydrophobicContact CD2-CD1 4.24Å; F635-I695 HydrophobicContact CG-CD1 3.76Å; F635-N703 WeakPolarHBondContact CD1-ND2 3.46Å; F635-T706 HydrophobicContact CD1-CG2 4.04Å; F635-T706 HydrophobicContact CE1-CG2 3.99Å; F635-Y708 WeakPolarHBondContact CE1-O 3.37Å; F635-M710 HydrophobicContact CE2-CB 4.3Å; F635-M710 HydrophobicContact CE2-SD 3.89Å; F635-M710 HydrophobicContact CZ-CB 4.18Å; F635-M710 HydrophobicContact CZ-SD 4.28Å
636	G	96.9	Very high	96.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-42.2	-179.5	0	0	0	0	0	112.9	R632 K633 Q634 Q638 N640	R632-G636 PolarHBondContact O-N 3.12Å; K633-G636 PolarHBondContact O-N 3.41Å; Q634-G636 VanDerWaalsContact C-N 3.35Å; Q634-G636 PolarHBondContact O-N 3.44Å; G636-Q638 PolarHBondContact O-N 3.41Å; G636-N640 WeakPolarHBondContact O-CB 3.42Å; G636-N640 PolarHBondContact O-N 2.99Å; G636-N640 PolarHBondContact O-ND2 3.39Å
637	A	97	Very high	96.7	Very high	62 Å²	62	45.8 Å²	45.8	51%	0.512	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-39.1	176.6	0	0	0	0	0	112.6	K633 Q634 F635 V641	K633-A637 VanDerWaalsContact O-CB 3.26Å; K633-A637 WeakPolarHBondContact O-CB 3.29Å; K633-A637 PolarHBondContact O-N 3.48Å; Q634-A637 PolarHBondContact O-N 3.34Å; F635-A637 PolarHBondContact O-N 3.47Å; A637-V641 WeakPolarHBondContact O-CG2 3.42Å
638	Q	96.9	Very high	96.7	Very high	36 Å²	36	44.2 Å²	44.2	17%	0.168	23%	0.226	C	C	.	.	H	α-helix	trans	-72.5	-49.3	175.6	-67.9	-143.8	69.7	0	0	112	Q634 F635 G636 N640 V641 I642 L688 D691	Q634-Q638 PolarHBondContact O-N 2.77Å; Q634-Q638 VanDerWaalsContact O-N 3.13Å; F635-Q638 PolarHBondContact O-N 3.06Å; G636-Q638 PolarHBondContact O-N 3.41Å; Q638-N640 VanDerWaalsContact C-N 3.33Å; Q638-N640 PolarHBondContact O-N 2.97Å; Q638-V641 PolarHBondContact O-N 2.7Å; Q638-I642 HydrophobicContact CB-CD1 4.22Å; Q638-I642 VanDerWaalsContact O-CG1 3.32Å; Q638-I642 WeakPolarHBondContact O-CG1 3.43Å; Q638-I642 PolarHBondContact O-N 3.14Å; Q638-L688 HydrophobicContact CB-CD1 3.59Å; Q638-D691 PolarHBondContact NE2-OD2 2.98Å
639	A	97.5	Very high	96.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-40	-178.7	0	0	0	0	0	112.4	F635 V641 I642 G643 L688 T706	F635-A639 HydrophobicContact CD1-CB 4.25Å; F635-A639 HydrophobicContact CE1-CB 3.93Å; F635-A639 HydrophobicContact CZ-CB 4.34Å; F635-A639 VanDerWaalsContact O-CB 3.28Å; F635-A639 WeakPolarHBondContact O-CB 3.49Å; F635-A639 PolarHBondContact O-N 3.47Å; A639-V641 PolarHBondContact O-N 2.7Å; A639-I642 PolarHBondContact O-N 2.97Å; A639-G643 PolarHBondContact O-N 2.89Å; A639-L688 HydrophobicContact CB-CD1 4.11Å; A639-L688 HydrophobicContact CB-CD2 4.33Å; A639-T706 HydrophobicContact CB-CG2 4.43Å
640	N	97.4	Very high	96.5	Very high	71 Å²	71	47.1 Å²	47.1	38%	0.38	24%	0.239	S	C	.	.	H	α-helix	trans	-67.4	-12.9	176.2	-69.2	-21.9	0	0	0	114.1	G636 Q638 P644 H705 T706	G636-N640 WeakPolarHBondContact O-CB 3.42Å; G636-N640 PolarHBondContact O-N 2.99Å; G636-N640 PolarHBondContact O-ND2 3.39Å; Q638-N640 VanDerWaalsContact C-N 3.33Å; Q638-N640 PolarHBondContact O-N 2.97Å; N640-P644 VanDerWaalsContact O-CD 3.3Å; N640-P644 WeakPolarHBondContact O-CD 3.39Å; N640-P644 WeakPolarHBondContact O-CG 3.38Å; N640-H705 PolarHBondContact ND2-O 3.01Å; N640-T706 VanDerWaalsContact OD1-CB 3.23Å; N640-T706 WeakPolarHBondContact OD1-CB 3.22Å; N640-T706 PolarHBondContact OD1-OG1 3.45Å
641	V	97.2	Very high	96.2	Very high	84 Å²	84	44.2 Å²	44.2	51%	0.509	23%	0.232	S	C	.	.	H	α-helix	trans	-97.7	-39.8	170.5	176.4	0	0	0	0	110.8	A637 Q638 A639 W645	A637-V641 WeakPolarHBondContact O-CG2 3.42Å; Q638-V641 PolarHBondContact O-N 2.7Å; A639-V641 PolarHBondContact O-N 2.7Å; V641-W645 VanDerWaalsContact O-CB 3.27Å; V641-W645 WeakPolarHBondContact O-CB 3.34Å; V641-W645 PolarHBondContact O-N 2.98Å
642	I	97.8	Very high	95.9	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-69.9	-46.4	-177.1	-67.5	164.8	0	0	0	111.6	Q638 A639 W645 I646 Y681 K684 I685 L688 I713	Q638-I642 HydrophobicContact CB-CD1 4.22Å; Q638-I642 VanDerWaalsContact O-CG1 3.32Å; Q638-I642 WeakPolarHBondContact O-CG1 3.43Å; Q638-I642 PolarHBondContact O-N 3.14Å; A639-I642 PolarHBondContact O-N 2.97Å; I642-W645 WeakPolarHBondContact O-CB 3.2Å; I642-W645 PolarHBondContact O-N 3Å; I642-I646 HydrophobicContact CG2-CD1 3.86Å; I642-I646 HydrophobicContact CG2-CG1 4.4Å; I642-I646 WeakPolarHBondContact O-CG1 3.22Å; I642-I646 PolarHBondContact O-N 2.87Å; I642-Y681 HydrophobicContact CG1-CE1 4.16Å; I642-K684 HydrophobicContact CD1-CB 4.42Å; I642-I685 HydrophobicContact CD1-CD1 4.5Å; I642-I685 HydrophobicContact CG2-CD1 3.38Å; I642-L688 HydrophobicContact CD1-CB 3.88Å; I642-L688 HydrophobicContact CD1-CD1 4.4Å; I642-L688 HydrophobicContact CD1-CD2 3.87Å; I642-L688 HydrophobicContact CD1-CG 4.27Å; I642-I713 HydrophobicContact CG2-CD1 4.24Å; I642-I713 HydrophobicContact CG2-CG2 3.69Å
643	G	96.6	Very high	95.6	Very high	6 Å²	6	45.4 Å²	45.4	6%	0.062	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-54.4	-179	0	0	0	0	0	113.3	A639 W645 I646 Q647	A639-G643 PolarHBondContact O-N 2.89Å; G643-W645 VanDerWaalsContact C-N 3.31Å; G643-W645 PolarHBondContact O-N 3.28Å; G643-I646 PolarHBondContact O-N 2.99Å; G643-Q647 PolarHBondContact O-N 2.94Å; G643-Q647 VanDerWaalsContact O-N 3.12Å
644	P	97.1	Very high	94.9	Very high	50 Å²	50	42 Å²	42	33%	0.325	23%	0.232	S	C	.	.	H	α-helix	trans	-62.2	-35	174.9	-26.3	37.3	0	0	0	113.3	N640 Q647 T648 Y708	N640-P644 VanDerWaalsContact O-CD 3.3Å; N640-P644 WeakPolarHBondContact O-CD 3.39Å; N640-P644 WeakPolarHBondContact O-CG 3.38Å; P644-Q647 PolarHBondContact O-N 3.06Å; P644-T648 WeakPolarHBondContact O-CB 3.43Å; P644-T648 PolarHBondContact O-N 2.69Å; P644-T648 PolarHBondContact O-OG1 3.44Å; P644-T648 VanDerWaalsContact O-OG1 3.06Å; P644-Y708 HydrophobicContact CG-CE2 4.37Å
645	W	97.5	Very high	94.3	Very high	49 Å²	49	42.1 Å²	42.1	19%	0.186	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-41.9	176.4	-176.7	94.1	0	0	0	112.2	V641 I642 G643 K649 I678 Y681 W717 L720	V641-W645 VanDerWaalsContact O-CB 3.27Å; V641-W645 WeakPolarHBondContact O-CB 3.34Å; V641-W645 PolarHBondContact O-N 2.98Å; I642-W645 WeakPolarHBondContact O-CB 3.2Å; I642-W645 PolarHBondContact O-N 3Å; G643-W645 VanDerWaalsContact C-N 3.31Å; G643-W645 PolarHBondContact O-N 3.28Å; W645-K649 HydrophobicContact CD2-CG 4.08Å; W645-K649 HydrophobicContact CE3-CG 4.15Å; W645-K649 HydrophobicContact CH2-CD 4.46Å; W645-K649 HydrophobicContact CH2-CG 3.84Å; W645-K649 HydrophobicContact CZ2-CD 4.19Å; W645-K649 HydrophobicContact CZ2-CG 3.78Å; W645-K649 HydrophobicContact CZ3-CG 4.02Å; W645-K649 WeakPolarHBondContact O-CB 3.36Å; W645-K649 WeakPolarHBondContact O-CG 3.27Å; W645-K649 PolarHBondContact O-N 3.35Å; W645-I678 HydrophobicContact CH2-CG1 3.97Å; W645-Y681 AromaticContact CD1-CE2 3.84Å; W645-Y681 AromaticContact CD1-CZ 3.94Å; W645-Y681 AromaticContact CD2-CD1 3.99Å; W645-Y681 HydrophobicContact CD2-CD1 3.99Å; W645-Y681 HydrophobicContact CD2-CD2 4.13Å; W645-Y681 AromaticContact CD2-CE1 3.79Å; W645-Y681 HydrophobicContact CD2-CE1 3.79Å; W645-Y681 AromaticContact CD2-CE2 3.95Å; W645-Y681 HydrophobicContact CD2-CE2 3.95Å; W645-Y681 HydrophobicContact CD2-CG 4.15Å; W645-Y681 AromaticContact CD2-CZ 3.78Å; W645-Y681 AromaticContact CE2-CD2 3.6Å; W645-Y681 AromaticContact CE2-CE2 3.69Å; W645-Y681 AromaticContact CE2-CG 3.87Å; W645-Y681 AromaticContact CE3-CD1 3.8Å; W645-Y681 HydrophobicContact CE3-CD1 3.8Å; W645-Y681 AromaticContact CE3-CE1 3.87Å; W645-Y681 HydrophobicContact CE3-CE1 3.87Å; W645-Y681 HydrophobicContact CE3-CG 4.21Å; W645-Y681 HydrophobicContact CG-CE1 4.12Å; W645-Y681 HydrophobicContact CG-CE2 4.05Å; W645-Y681 AromaticContact CG-CZ 3.74Å; W645-Y681 HydrophobicContact CH2-CD1 4.14Å; W645-Y681 HydrophobicContact CH2-CD2 4.29Å; W645-Y681 AromaticContact CH2-CG 3.81Å; W645-Y681 HydrophobicContact CH2-CG 3.81Å; W645-Y681 HydrophobicContact CZ2-CD1 4.27Å; W645-Y681 AromaticContact CZ2-CD2 3.68Å; W645-Y681 HydrophobicContact CZ2-CD2 3.68Å; W645-Y681 HydrophobicContact CZ2-CE2 4.26Å; W645-Y681 AromaticContact CZ2-CG 3.69Å; W645-Y681 HydrophobicContact CZ2-CG 3.69Å; W645-Y681 AromaticContact CZ3-CD1 3.91Å; W645-Y681 HydrophobicContact CZ3-CD1 3.91Å; W645-Y681 HydrophobicContact CZ3-CE1 4.44Å; W645-Y681 HydrophobicContact CZ3-CG 4.07Å; W645-Y681 AromaticContact NE1-CD2 3.85Å; W645-Y681 AromaticContact NE1-CE2 3.59Å; W645-W717 HydrophobicContact CE3-CZ3 4.4Å; W645-W717 HydrophobicContact CH2-CZ3 4.35Å; W645-W717 HydrophobicContact CZ3-CE3 4.49Å; W645-W717 HydrophobicContact CZ3-CH2 4.38Å; W645-W717 AromaticContact CZ3-CZ3 3.64Å; W645-W717 HydrophobicContact CZ3-CZ3 3.64Å; W645-L720 HydrophobicContact CZ3-CD2 3.8Å
646	I	97	Very high	93.4	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-47.7	174.2	-69.6	169.8	0	0	0	110.1	I642 G643 K649 M650 I713 G716 W717 L720	I642-I646 HydrophobicContact CG2-CD1 3.86Å; I642-I646 HydrophobicContact CG2-CG1 4.4Å; I642-I646 WeakPolarHBondContact O-CG1 3.22Å; I642-I646 PolarHBondContact O-N 2.87Å; G643-I646 PolarHBondContact O-N 2.99Å; I646-K649 PolarHBondContact O-N 3.04Å; I646-M650 PolarHBondContact O-N 3.36Å; I646-I713 HydrophobicContact CD1-CG2 4.07Å; I646-G716 VanDerWaalsContact CG2-O 3.31Å; I646-G716 WeakPolarHBondContact CG2-O 3.44Å; I646-W717 HydrophobicContact CD1-CB 4.28Å; I646-W717 HydrophobicContact CD1-CE3 4.12Å; I646-W717 HydrophobicContact CG1-CE3 4.13Å; I646-L720 HydrophobicContact CG1-CD2 4.39Å; I646-L720 HydrophobicContact CG2-CB 4.32Å; I646-L720 HydrophobicContact CG2-CD2 4.33Å
647	Q	94.7	Very high	92	Very high	101 Å²	101	45.3 Å²	45.3	47%	0.472	25%	0.249	S	C	.	.	H	α-helix	trans	-60.5	-50.7	179	-174.6	-174.5	-24.8	0	0	111.7	G643 P644 K649 M650 E651	G643-Q647 PolarHBondContact O-N 2.94Å; G643-Q647 VanDerWaalsContact O-N 3.12Å; P644-Q647 PolarHBondContact O-N 3.06Å; Q647-K649 PolarHBondContact O-N 3.16Å; Q647-M650 PolarHBondContact O-N 3.39Å; Q647-M650 VanDerWaalsContact O-N 3.14Å; Q647-E651 WeakPolarHBondContact CG-OE1 3.06Å; Q647-E651 PolarHBondContact NE2-OE1 3.12Å; Q647-E651 WeakPolarHBondContact O-CG 3.39Å; Q647-E651 PolarHBondContact O-N 3.05Å
648	T	95.5	Very high	90.5	Very high	61 Å²	61	45.5 Å²	45.5	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-58.1	-37.7	177.3	-59.4	0	0	0	0	111.7	P644 E651 E652	P644-T648 WeakPolarHBondContact O-CB 3.43Å; P644-T648 PolarHBondContact O-N 2.69Å; P644-T648 PolarHBondContact O-OG1 3.44Å; P644-T648 VanDerWaalsContact O-OG1 3.06Å; T648-E651 PolarHBondContact O-N 3.16Å; T648-E652 HydrophobicContact CG2-CG 4.4Å; T648-E652 WeakPolarHBondContact O-CB 3.49Å; T648-E652 VanDerWaalsContact O-CG 3.3Å; T648-E652 WeakPolarHBondContact O-CG 3.44Å; T648-E652 PolarHBondContact O-N 3.5Å
649	K	94.6	Very high	88.9	Confident	26 Å²	26	48.7 Å²	48.7	11%	0.113	26%	0.256	C	S	.	.	H	α-helix	trans	-69.4	-39	176.4	-73.4	-72.1	164.5	-154.2	0	113	W645 I646 Q647 E652 I653 L720	W645-K649 HydrophobicContact CD2-CG 4.08Å; W645-K649 HydrophobicContact CE3-CG 4.15Å; W645-K649 HydrophobicContact CH2-CD 4.46Å; W645-K649 HydrophobicContact CH2-CG 3.84Å; W645-K649 HydrophobicContact CZ2-CD 4.19Å; W645-K649 HydrophobicContact CZ2-CG 3.78Å; W645-K649 HydrophobicContact CZ3-CG 4.02Å; W645-K649 WeakPolarHBondContact O-CB 3.36Å; W645-K649 WeakPolarHBondContact O-CG 3.27Å; W645-K649 PolarHBondContact O-N 3.35Å; I646-K649 PolarHBondContact O-N 3.04Å; Q647-K649 PolarHBondContact O-N 3.16Å; K649-E652 WeakPolarHBondContact CD-OE2 3.42Å; K649-E652 WeakPolarHBondContact CE-OE2 3.3Å; K649-E652 IonicContact NZ-OE2 3.96Å; K649-E652 PolarHBondContact NZ-OE2 2.92Å; K649-E652 PolarHBondContact O-N 3.47Å; K649-I653 WeakPolarHBondContact O-CD1 3.42Å; K649-I653 WeakPolarHBondContact O-CG1 3.23Å; K649-I653 PolarHBondContact O-N 2.92Å; K649-L720 HydrophobicContact CB-CD1 3.84Å; K649-L720 HydrophobicContact CB-CD2 4.18Å
650	M	92.2	Very high	87	Confident	66 Å²	66	53.6 Å²	53.6	33%	0.325	28%	0.28	S	S	.	.	H	α-helix	trans	-63.3	-41.9	172.1	-70.4	-152.5	-64	0	0	111.9	I646 Q647 I653 G654 Q719 L720	I646-M650 PolarHBondContact O-N 3.36Å; Q647-M650 PolarHBondContact O-N 3.39Å; Q647-M650 VanDerWaalsContact O-N 3.14Å; M650-I653 PolarHBondContact O-N 3.28Å; M650-G654 PolarHBondContact O-N 3.13Å; M650-Q719 HydrophobicContact SD-CB 4.4Å; M650-Q719 HydrophobicContact SD-CG 3.85Å; M650-L720 HydrophobicContact CG-CB 4.2Å; M650-L720 HydrophobicContact CG-CD1 3.69Å
651	E	90.6	Very high	85.3	Confident	86 Å²	86	57.3 Å²	57.3	40%	0.402	30%	0.295	S	S	.	.	H	α-helix	trans	-64.6	-39.1	175.4	-69.7	172.6	-164.7	0	0	112.8	Q647 T648 R655	Q647-E651 WeakPolarHBondContact CG-OE1 3.06Å; Q647-E651 PolarHBondContact NE2-OE1 3.12Å; Q647-E651 WeakPolarHBondContact O-CG 3.39Å; Q647-E651 PolarHBondContact O-N 3.05Å; T648-E651 PolarHBondContact O-N 3.16Å; E651-R655 WeakPolarHBondContact O-CG 3.25Å; E651-R655 PolarHBondContact O-N 3.32Å
652	E	90.5	Very high	84	Confident	43 Å²	43	55.1 Å²	55.1	20%	0.201	29%	0.289	C	S	.	.	H	α-helix	trans	-66.2	-39.6	175.2	-78.6	176	177.6	0	0	112.8	T648 K649 R655 I656 Y674	T648-E652 HydrophobicContact CG2-CG 4.4Å; T648-E652 WeakPolarHBondContact O-CB 3.49Å; T648-E652 VanDerWaalsContact O-CG 3.3Å; T648-E652 WeakPolarHBondContact O-CG 3.44Å; T648-E652 PolarHBondContact O-N 3.5Å; K649-E652 WeakPolarHBondContact CD-OE2 3.42Å; K649-E652 WeakPolarHBondContact CE-OE2 3.3Å; K649-E652 IonicContact NZ-OE2 3.96Å; K649-E652 PolarHBondContact NZ-OE2 2.92Å; K649-E652 PolarHBondContact O-N 3.47Å; E652-R655 PolarHBondContact O-N 2.95Å; E652-I656 PolarHBondContact O-N 2.97Å; E652-Y674 HydrophobicContact CB-CE2 3.91Å
653	I	89.9	Confident	83.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.9	-46.8	175.8	-66.5	160.6	0	0	0	110.1	K649 M650 R655 I656 L671 Y674 I678 L720 T723 I724 T727	K649-I653 WeakPolarHBondContact O-CD1 3.42Å; K649-I653 WeakPolarHBondContact O-CG1 3.23Å; K649-I653 PolarHBondContact O-N 2.92Å; M650-I653 PolarHBondContact O-N 3.28Å; I653-R655 VanDerWaalsContact C-N 3.27Å; I653-R655 PolarHBondContact O-N 3.15Å; I653-I656 PolarHBondContact O-N 3.3Å; I653-L671 HydrophobicContact CG2-CD2 4.16Å; I653-Y674 HydrophobicContact CG1-CD2 3.99Å; I653-I678 HydrophobicContact CD1-CD1 4.36Å; I653-L720 HydrophobicContact CD1-CD1 3.62Å; I653-T723 HydrophobicContact CG2-CG2 4.12Å; I653-I724 HydrophobicContact CD1-CB 3.86Å; I653-I724 HydrophobicContact CD1-CD1 3.89Å; I653-I724 HydrophobicContact CD1-CG1 4.33Å; I653-I724 HydrophobicContact CG1-CD1 3.94Å; I653-I724 HydrophobicContact CG2-CD1 4.38Å; I653-T727 HydrophobicContact CG2-CG2 4.17Å
654	G	82.6	Confident	82.5	Confident	31 Å²	31	56.9 Å²	56.9	32%	0.32	30%	0.299	S	S	.	.	H	α-helix	trans	-59	-36.6	176	0	0	0	0	0	113	M650 I656 S657 I658	M650-G654 PolarHBondContact O-N 3.13Å; G654-I656 PolarHBondContact O-N 2.88Å; G654-S657 PolarHBondContact O-N 2.86Å; G654-I658 WeakPolarHBondContact O-CG1 3.24Å
655	R	82.8	Confident	82.1	Confident	95 Å²	95	58.4 Å²	58.4	36%	0.358	30%	0.302	S	S	.	.	H	α-helix	trans	-62.8	-37	173	-81.9	-169.1	-65	-89	4	113.3	E651 E652 I653 S657 I658 E659	E651-R655 WeakPolarHBondContact O-CG 3.25Å; E651-R655 PolarHBondContact O-N 3.32Å; E652-R655 PolarHBondContact O-N 2.95Å; I653-R655 VanDerWaalsContact C-N 3.27Å; I653-R655 PolarHBondContact O-N 3.15Å; R655-S657 VanDerWaalsContact C-N 3.27Å; R655-S657 PolarHBondContact O-N 3.42Å; R655-I658 PolarHBondContact O-N 3.31Å; R655-I658 VanDerWaalsContact O-N 3.09Å; R655-E659 HydrophobicContact CB-CG 4.38Å; R655-E659 VanDerWaalsContact CD-OE1 3.28Å; R655-E659 WeakPolarHBondContact CD-OE1 3.32Å; R655-E659 WeakPolarHBondContact O-CB 3.42Å; R655-E659 WeakPolarHBondContact O-CG 3.4Å; R655-E659 PolarHBondContact O-N 3.15Å
656	I	79.8	Confident	81.6	Confident	21 Å²	21	59.7 Å²	59.7	11%	0.108	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-34.9	178.1	-69.6	177.9	0	0	0	111.7	E652 I653 G654 I658 Q667 H670 L671 Y674	E652-I656 PolarHBondContact O-N 2.97Å; I653-I656 PolarHBondContact O-N 3.3Å; G654-I656 PolarHBondContact O-N 2.88Å; I656-I658 VanDerWaalsContact C-N 3.27Å; I656-I658 PolarHBondContact O-N 3.19Å; I656-Q667 HydrophobicContact CG2-CB 4.04Å; I656-Q667 HydrophobicContact CG2-CG 4.14Å; I656-Q667 PolarHBondContact O-NE2 2.81Å; I656-H670 HydrophobicContact CD1-CB 3.8Å; I656-L671 HydrophobicContact CB-CD2 4.34Å; I656-L671 HydrophobicContact CD1-CD2 3.99Å; I656-L671 HydrophobicContact CD1-CG 4.23Å; I656-L671 HydrophobicContact CG2-CD1 4.24Å; I656-L671 HydrophobicContact CG2-CD2 4.16Å; I656-L671 HydrophobicContact CG2-CG 4.09Å; I656-Y674 HydrophobicContact CD1-CD2 3.88Å; I656-Y674 HydrophobicContact CD1-CE2 3.43Å; I656-Y674 VanDerWaalsContact CD1-CE2 3.43Å; I656-Y674 HydrophobicContact CG1-CE2 4.36Å
657	S	66.4	Low	81.1	Confident	53 Å²	53	59.8 Å²	59.8	37%	0.371	31%	0.313	S	S	.	.	H	α-helix	trans	-67.5	-26.3	175.9	-56.1	0	0	0	0	113.5	G654 R655 T727	G654-S657 PolarHBondContact O-N 2.86Å; R655-S657 VanDerWaalsContact C-N 3.27Å; R655-S657 PolarHBondContact O-N 3.42Å; S657-T727 VanDerWaalsContact OG-CG2 3.31Å; S657-T727 WeakPolarHBondContact OG-CG2 3.43Å
658	I	66.4	Low	80.9	Confident	67 Å²	67	56.6 Å²	56.6	34%	0.344	30%	0.298	S	S	.	.	H	α-helix	trans	-101.8	-43	-172.9	-59.6	167.8	0	0	0	111.9	G654 R655 I656 M660 N756 H762	G654-I658 WeakPolarHBondContact O-CG1 3.24Å; R655-I658 PolarHBondContact O-N 3.31Å; R655-I658 VanDerWaalsContact O-N 3.09Å; I656-I658 VanDerWaalsContact C-N 3.27Å; I656-I658 PolarHBondContact O-N 3.19Å; I658-M660 PolarHBondContact O-N 2.68Å; I658-N756 PolarHBondContact O-ND2 3.2Å; I658-H762 HydrophobicContact CD1-CB 3.97Å; I658-H762 HydrophobicContact CG1-CB 4.48Å
659	E	63.4	Low	80.7	Confident	103 Å²	103	57.1 Å²	57.1	48%	0.481	31%	0.305	S	S	.	.			trans	-80.6	116.1	-171.3	-66	-176.7	172.7	0	0	111.4	R655 H661	R655-E659 HydrophobicContact CB-CG 4.38Å; R655-E659 VanDerWaalsContact CD-OE1 3.28Å; R655-E659 WeakPolarHBondContact CD-OE1 3.32Å; R655-E659 WeakPolarHBondContact O-CB 3.42Å; R655-E659 WeakPolarHBondContact O-CG 3.4Å; R655-E659 PolarHBondContact O-N 3.15Å; E659-H661 PolarHBondContact O-N 3.29Å
660	M	56.8	Low	80.6	Confident	103 Å²	103	60.1 Å²	60.1	51%	0.507	32%	0.319	S	S	.	.			trans	-74.8	44.4	-169.8	-57.9	167.1	57.2	0	0	114.4	I658 A753	I658-M660 PolarHBondContact O-N 2.68Å; M660-A753 HydrophobicContact CE-CB 3.43Å; M660-A753 VanDerWaalsContact CE-CB 3.43Å; M660-A753 HydrophobicContact SD-CB 4.37Å
661	H	61.6	Low	80.6	Confident	149 Å²	149	57 Å²	57	69%	0.69	30%	0.303	S	S	*	.			trans	-116.7	116.4	-172.6	-68.2	-27.7	0	0	0	112.8	E659	E659-H661 PolarHBondContact O-N 3.29Å
662	G	69.5	Low	80.8	Confident	37 Å²	37	57.7 Å²	57.7	38%	0.381	30%	0.302	S	S	.	.	S	Bend	trans	104.6	173.3	-178.9	0	0	0	0	0	113.2	D666	G662-D666 WeakPolarHBondContact CA-OD2 3.49Å
663	T	81.4	Confident	81	Confident	47 Å²	47	61.8 Å²	61.8	29%	0.288	32%	0.322	S	S	.	.			trans	-78.8	173.8	165	78.1	0	0	0	0	110.6	E665 D666 Q667 Q745	T663-E665 WeakPolarHBondContact CB-OE2 3.34Å; T663-E665 PolarHBondContact O-N 3.09Å; T663-E665 PolarHBondContact OG1-N 2.81Å; T663-E665 PolarHBondContact OG1-OE2 3.04Å; T663-D666 PolarHBondContact N-OD2 3.17Å; T663-D666 PolarHBondContact O-N 3.38Å; T663-D666 VanDerWaalsContact O-N 3.16Å; T663-D666 PolarHBondContact OG1-N 3.24Å; T663-Q667 PolarHBondContact O-N 3.21Å; T663-Q745 HydrophobicContact CG2-CG 4.32Å
664	L	82.7	Confident	81.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-34	173.3	-77.1	169.2	0	0	0	112	Q667 L668 V731 Q734 I735 M748	L664-Q667 PolarHBondContact O-N 3.5Å; L664-L668 WeakPolarHBondContact O-CB 3.49Å; L664-L668 PolarHBondContact O-N 2.87Å; L664-V731 HydrophobicContact CD2-CG1 4.17Å; L664-Q734 HydrophobicContact CD1-CB 4.42Å; L664-Q734 HydrophobicContact CD2-CB 4.18Å; L664-I735 HydrophobicContact CB-CD1 4.04Å; L664-I735 HydrophobicContact CB-CG1 3.54Å; L664-I735 HydrophobicContact CD1-CG1 3.87Å; L664-I735 HydrophobicContact CG-CG1 4.2Å; L664-M748 HydrophobicContact CD1-CE 4.25Å; L664-M748 HydrophobicContact CD1-CG 4.37Å
665	E	87.7	Confident	81.7	Confident	82 Å²	82	66 Å²	66	38%	0.383	33%	0.331	S	S	.	.	H	α-helix	trans	-67	-38.9	174.8	-60.2	77.1	-172.4	0	0	112.2	T663 S669 R738	T663-E665 WeakPolarHBondContact CB-OE2 3.34Å; T663-E665 PolarHBondContact O-N 3.09Å; T663-E665 PolarHBondContact OG1-N 2.81Å; T663-E665 PolarHBondContact OG1-OE2 3.04Å; E665-S669 WeakPolarHBondContact O-CB 3.5Å; E665-S669 PolarHBondContact O-N 3.18Å; E665-R738 IonicContact OE1-CZ 3.75Å; E665-R738 IonicContact OE1-NH1 2.78Å; E665-R738 PolarHBondContact OE1-NH1 3.29Å; E665-R738 IonicContact OE1-NH2 2.66Å; E665-R738 PolarHBondContact OE1-NH2 2.67Å; E665-R738 IonicContact OE2-NH1 2.66Å; E665-R738 PolarHBondContact OE2-NH1 3.18Å
666	D	87.3	Confident	82.3	Confident	75 Å²	75	68.1 Å²	68.1	40%	0.401	34%	0.343	S	S	.	.	H	α-helix	trans	-65.2	-44.7	174.3	-65	-38.5	0	0	0	111	G662 T663 S669 H670	G662-D666 WeakPolarHBondContact CA-OD2 3.49Å; T663-D666 PolarHBondContact N-OD2 3.17Å; T663-D666 PolarHBondContact O-N 3.38Å; T663-D666 VanDerWaalsContact O-N 3.16Å; T663-D666 PolarHBondContact OG1-N 3.24Å; D666-S669 WeakPolarHBondContact O-CB 3.35Å; D666-S669 PolarHBondContact O-N 2.86Å; D666-H670 PolarHBondContact O-N 2.91Å; D666-H670 PolarHBondContact O-ND1 3.48Å
667	Q	87.4	Confident	83	Confident	10 Å²	10	69 Å²	69	5%	0.047	35%	0.351	C	S	.	.	H	α-helix	trans	-60.1	-48.3	175.7	-70.3	-177.5	-28.8	0	0	111.2	I656 T663 L664 S669 H670 L671	I656-Q667 HydrophobicContact CG2-CB 4.04Å; I656-Q667 HydrophobicContact CG2-CG 4.14Å; I656-Q667 PolarHBondContact O-NE2 2.81Å; T663-Q667 PolarHBondContact O-N 3.21Å; L664-Q667 PolarHBondContact O-N 3.5Å; Q667-S669 VanDerWaalsContact C-N 3.33Å; Q667-S669 PolarHBondContact O-N 2.97Å; Q667-H670 PolarHBondContact O-N 3.16Å; Q667-L671 VanDerWaalsContact O-CG 3.3Å; Q667-L671 WeakPolarHBondContact O-CG 3.47Å; Q667-L671 PolarHBondContact O-N 2.99Å
668	L	90.5	Very high	84.4	Confident	33 Å²	33	66.6 Å²	66.6	17%	0.173	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-41.5	176.1	-174.4	59.8	0	0	0	111.7	L664 L671 R672 I728 V731 E732 I735	L664-L668 WeakPolarHBondContact O-CB 3.49Å; L664-L668 PolarHBondContact O-N 2.87Å; L668-L671 PolarHBondContact O-N 3.02Å; L668-R672 HydrophobicContact CD1-CG 4.36Å; L668-R672 HydrophobicContact CG-CG 4.46Å; L668-R672 WeakPolarHBondContact O-CB 3.39Å; L668-R672 VanDerWaalsContact O-CG 3.27Å; L668-R672 WeakPolarHBondContact O-CG 3.33Å; L668-R672 PolarHBondContact O-N 3.05Å; L668-I728 HydrophobicContact CD1-CG2 4.07Å; L668-V731 HydrophobicContact CB-CG1 3.93Å; L668-V731 HydrophobicContact CD1-CG1 4.45Å; L668-E732 HydrophobicContact CD1-CG 3.95Å; L668-E732 HydrophobicContact CD2-CG 4.13Å; L668-I735 HydrophobicContact CD2-CD1 3.93Å
669	S	91.6	Very high	85.7	Confident	72 Å²	72	68 Å²	68	50%	0.503	35%	0.346	S	S	.	.	H	α-helix	trans	-59.5	-46	175.8	-176.5	0	0	0	0	112	E665 D666 Q667 R672 Q673	E665-S669 WeakPolarHBondContact O-CB 3.5Å; E665-S669 PolarHBondContact O-N 3.18Å; D666-S669 WeakPolarHBondContact O-CB 3.35Å; D666-S669 PolarHBondContact O-N 2.86Å; Q667-S669 VanDerWaalsContact C-N 3.33Å; Q667-S669 PolarHBondContact O-N 2.97Å; S669-R672 PolarHBondContact O-N 2.91Å; S669-Q673 PolarHBondContact O-N 3.28Å
670	H	91.3	Very high	87.2	Confident	89 Å²	89	68.6 Å²	68.6	41%	0.412	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-42.5	175.2	-66.6	153.6	0	0	0	112.4	I656 D666 Q667 Q673 Y674	I656-H670 HydrophobicContact CD1-CB 3.8Å; D666-H670 PolarHBondContact O-N 2.91Å; D666-H670 PolarHBondContact O-ND1 3.48Å; Q667-H670 PolarHBondContact O-N 3.16Å; H670-Q673 WeakPolarHBondContact O-CB 3.1Å; H670-Q673 PolarHBondContact O-N 3.43Å; H670-Q673 VanDerWaalsContact O-N 3.16Å; H670-Y674 PolarHBondContact O-N 3.24Å
671	L	92.8	Very high	89.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-43.9	176.2	-68.3	166.1	0	0	0	111.6	I653 I656 Q667 L668 Q673 Y674 E675 I724 T727 I728 V731	I653-L671 HydrophobicContact CG2-CD2 4.16Å; I656-L671 HydrophobicContact CB-CD2 4.34Å; I656-L671 HydrophobicContact CD1-CD2 3.99Å; I656-L671 HydrophobicContact CD1-CG 4.23Å; I656-L671 HydrophobicContact CG2-CD1 4.24Å; I656-L671 HydrophobicContact CG2-CD2 4.16Å; I656-L671 HydrophobicContact CG2-CG 4.09Å; Q667-L671 VanDerWaalsContact O-CG 3.3Å; Q667-L671 WeakPolarHBondContact O-CG 3.47Å; Q667-L671 PolarHBondContact O-N 2.99Å; L668-L671 PolarHBondContact O-N 3.02Å; L671-Q673 VanDerWaalsContact C-N 3.27Å; L671-Q673 PolarHBondContact O-N 3.06Å; L671-Y674 CarbonylContact O-C 3.53Å; L671-Y674 PolarHBondContact O-N 3.04Å; L671-Y674 VanDerWaalsContact O-N 3.1Å; L671-E675 PolarHBondContact O-N 3.37Å; L671-I724 HydrophobicContact CB-CD1 4.08Å; L671-I724 HydrophobicContact CD2-CD1 3.68Å; L671-T727 HydrophobicContact CD1-CG2 3.94Å; L671-T727 HydrophobicContact CD2-CG2 3.91Å; L671-I728 HydrophobicContact CB-CD1 4.3Å; L671-I728 HydrophobicContact CB-CG1 3.68Å; L671-I728 HydrophobicContact CD1-CG1 4.31Å; L671-V731 HydrophobicContact CD1-CB 4.4Å; L671-V731 HydrophobicContact CD1-CG2 3.83Å
672	R	94.2	Very high	90.6	Very high	101 Å²	101	62.4 Å²	62.4	38%	0.381	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-30.6	173.5	-66.4	-61.9	-176.2	-179.1	-0.7	112.4	L668 S669 E675 K676 I728 E732	L668-R672 HydrophobicContact CD1-CG 4.36Å; L668-R672 HydrophobicContact CG-CG 4.46Å; L668-R672 WeakPolarHBondContact O-CB 3.39Å; L668-R672 VanDerWaalsContact O-CG 3.27Å; L668-R672 WeakPolarHBondContact O-CG 3.33Å; L668-R672 PolarHBondContact O-N 3.05Å; S669-R672 PolarHBondContact O-N 2.91Å; R672-E675 WeakPolarHBondContact CD-OE2 3.37Å; R672-E675 IonicContact CZ-OE2 3.92Å; R672-E675 IonicContact NE-OE2 2.7Å; R672-E675 VanDerWaalsContact NH1-CD 3.32Å; R672-E675 IonicContact NH1-OE1 3.64Å; R672-E675 PolarHBondContact NH1-OE1 2.81Å; R672-E675 VanDerWaalsContact NH1-OE1 3.11Å; R672-E675 IonicContact NH1-OE2 2.66Å; R672-E675 PolarHBondContact NH1-OE2 3.44Å; R672-K676 WeakPolarHBondContact O-CB 3.25Å; R672-K676 PolarHBondContact O-N 2.66Å; R672-I728 VanDerWaalsContact NH2-CG2 3.3Å; R672-E732 IonicContact CZ-OE1 3.72Å; R672-E732 IonicContact NE-OE1 3.41Å; R672-E732 IonicContact NH2-OE1 2.68Å; R672-E732 PolarHBondContact NH2-OE1 2.86Å; R672-E732 IonicContact NH2-OE2 2.87Å
673	Q	94.1	Very high	91.8	Very high	129 Å²	129	64.6 Å²	64.6	60%	0.603	33%	0.327	S	S	*	.	H	α-helix	trans	-69.1	-38.8	170.7	-173.1	178.3	-1.1	0	0	112.2	S669 H670 L671 S677	S669-Q673 PolarHBondContact O-N 3.28Å; H670-Q673 WeakPolarHBondContact O-CB 3.1Å; H670-Q673 PolarHBondContact O-N 3.43Å; H670-Q673 VanDerWaalsContact O-N 3.16Å; L671-Q673 VanDerWaalsContact C-N 3.27Å; L671-Q673 PolarHBondContact O-N 3.06Å; Q673-S677 PolarHBondContact O-N 3.38Å
674	Y	94.2	Very high	92.5	Very high	55 Å²	55	66.6 Å²	66.6	22%	0.216	33%	0.332	C	S	.	.	H	α-helix	trans	-68.3	-43.7	173.2	-71.2	-20.1	0	0	0	112.5	E652 I653 I656 H670 L671 K676 S677 I678	E652-Y674 HydrophobicContact CB-CE2 3.91Å; I653-Y674 HydrophobicContact CG1-CD2 3.99Å; I656-Y674 HydrophobicContact CD1-CD2 3.88Å; I656-Y674 HydrophobicContact CD1-CE2 3.43Å; I656-Y674 VanDerWaalsContact CD1-CE2 3.43Å; I656-Y674 HydrophobicContact CG1-CE2 4.36Å; H670-Y674 PolarHBondContact O-N 3.24Å; L671-Y674 CarbonylContact O-C 3.53Å; L671-Y674 PolarHBondContact O-N 3.04Å; L671-Y674 VanDerWaalsContact O-N 3.1Å; Y674-K676 VanDerWaalsContact C-N 3.32Å; Y674-K676 PolarHBondContact O-N 3.26Å; Y674-S677 CarbonylContact O-C 3.58Å; Y674-S677 WeakPolarHBondContact O-CA 3.3Å; Y674-S677 VanDerWaalsContact O-CB 3.3Å; Y674-S677 WeakPolarHBondContact O-CB 3.39Å; Y674-S677 PolarHBondContact O-N 2.96Å; Y674-I678 VanDerWaalsContact O-CG1 3.29Å; Y674-I678 WeakPolarHBondContact O-CG1 3.47Å; Y674-I678 PolarHBondContact O-N 3.07Å
675	E	94.3	Very high	93.1	Very high	64 Å²	64	67.2 Å²	67.2	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-52.1	-50.3	171.5	-178.7	-176.9	-140.8	0	0	110.8	L671 R672 S677 I678 V679 I724 I728	L671-E675 PolarHBondContact O-N 3.37Å; R672-E675 WeakPolarHBondContact CD-OE2 3.37Å; R672-E675 IonicContact CZ-OE2 3.92Å; R672-E675 IonicContact NE-OE2 2.7Å; R672-E675 VanDerWaalsContact NH1-CD 3.32Å; R672-E675 IonicContact NH1-OE1 3.64Å; R672-E675 PolarHBondContact NH1-OE1 2.81Å; R672-E675 VanDerWaalsContact NH1-OE1 3.11Å; R672-E675 IonicContact NH1-OE2 2.66Å; R672-E675 PolarHBondContact NH1-OE2 3.44Å; E675-S677 VanDerWaalsContact C-N 3.31Å; E675-S677 PolarHBondContact O-N 3.26Å; E675-I678 PolarHBondContact O-N 3.2Å; E675-I678 VanDerWaalsContact O-N 3.09Å; E675-V679 WeakPolarHBondContact O-CG2 3.41Å; E675-V679 PolarHBondContact O-N 2.96Å; E675-I724 HydrophobicContact CB-CG1 4.13Å; E675-I728 HydrophobicContact CB-CD1 4.25Å
676	K	95	Very high	93.3	Very high	141 Å²	141	67 Å²	67	61%	0.613	34%	0.337	S	S	*	.	H	α-helix	trans	-60.7	-37.8	174	-174.1	173.8	-177	174.2	0	112.9	R672 Y674 I678 N680	R672-K676 WeakPolarHBondContact O-CB 3.25Å; R672-K676 PolarHBondContact O-N 2.66Å; Y674-K676 VanDerWaalsContact C-N 3.32Å; Y674-K676 PolarHBondContact O-N 3.26Å; K676-I678 VanDerWaalsContact C-N 3.33Å; K676-N680 WeakPolarHBondContact O-CB 3.39Å; K676-N680 PolarHBondContact O-N 3.4Å; K676-N680 PolarHBondContact O-ND2 3.45Å
677	S	95.2	Very high	93.6	Very high	40 Å²	40	68.6 Å²	68.6	28%	0.28	34%	0.342	S	S	.	.	H	α-helix	trans	-65.6	-34.3	174.4	-172.5	0	0	0	0	112.6	Q673 Y674 E675 Y681	Q673-S677 PolarHBondContact O-N 3.38Å; Y674-S677 CarbonylContact O-C 3.58Å; Y674-S677 WeakPolarHBondContact O-CA 3.3Å; Y674-S677 VanDerWaalsContact O-CB 3.3Å; Y674-S677 WeakPolarHBondContact O-CB 3.39Å; Y674-S677 PolarHBondContact O-N 2.96Å; E675-S677 VanDerWaalsContact C-N 3.31Å; E675-S677 PolarHBondContact O-N 3.26Å; S677-Y681 WeakPolarHBondContact O-CB 3.26Å; S677-Y681 PolarHBondContact O-N 3.08Å
678	I	95.1	Very high	94.1	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-71.7	-49	177.9	-66.2	159.9	0	0	0	109.8	W645 I653 Y674 E675 K676 N680 Y681 K682 W717 L720 L721 I724	W645-I678 HydrophobicContact CH2-CG1 3.97Å; I653-I678 HydrophobicContact CD1-CD1 4.36Å; Y674-I678 VanDerWaalsContact O-CG1 3.29Å; Y674-I678 WeakPolarHBondContact O-CG1 3.47Å; Y674-I678 PolarHBondContact O-N 3.07Å; E675-I678 PolarHBondContact O-N 3.2Å; E675-I678 VanDerWaalsContact O-N 3.09Å; K676-I678 VanDerWaalsContact C-N 3.33Å; I678-N680 VanDerWaalsContact C-N 3.28Å; I678-N680 PolarHBondContact O-N 2.81Å; I678-Y681 PolarHBondContact O-N 3.41Å; I678-K682 PolarHBondContact O-N 3.18Å; I678-W717 HydrophobicContact CG2-CH2 3.69Å; I678-W717 HydrophobicContact CG2-CZ2 3.76Å; I678-W717 HydrophobicContact CG2-CZ3 4.36Å; I678-W717 VanDerWaalsContact O-CH2 3.32Å; I678-W717 WeakPolarHBondContact O-CH2 3.34Å; I678-L720 HydrophobicContact CD1-CD1 4.06Å; I678-L720 HydrophobicContact CD1-CD2 4.25Å; I678-L720 HydrophobicContact CD1-CG 3.99Å; I678-L720 HydrophobicContact CG1-CD2 4.15Å; I678-L720 HydrophobicContact CG1-CG 4.43Å; I678-L720 HydrophobicContact CG2-CD2 4.47Å; I678-L721 HydrophobicContact CG2-CD2 3.74Å; I678-I724 HydrophobicContact CD1-CB 4.14Å; I678-I724 HydrophobicContact CD1-CG1 4.29Å; I678-I724 HydrophobicContact CD1-CG2 3.98Å
679	V	93.2	Very high	94.2	Very high	97 Å²	97	68.6 Å²	68.6	59%	0.588	34%	0.341	S	S	*	.	H	α-helix	trans	-55.4	-43.6	174.5	175	0	0	0	0	111.5	E675 Y681 K682	E675-V679 WeakPolarHBondContact O-CG2 3.41Å; E675-V679 PolarHBondContact O-N 2.96Å; V679-Y681 PolarHBondContact O-N 2.92Å; V679-K682 WeakPolarHBondContact O-CB 3.34Å; V679-K682 PolarHBondContact O-N 2.95Å
680	N	95.4	Very high	94.3	Very high	115 Å²	115	66.6 Å²	66.6	62%	0.615	33%	0.331	S	S	*	.	H	α-helix	trans	-66.7	-20.7	176.5	-72.3	-20.3	0	0	0	114.2	K676 I678	K676-N680 WeakPolarHBondContact O-CB 3.39Å; K676-N680 PolarHBondContact O-N 3.4Å; K676-N680 PolarHBondContact O-ND2 3.45Å; I678-N680 VanDerWaalsContact C-N 3.28Å; I678-N680 PolarHBondContact O-N 2.81Å
681	Y	96.3	Very high	94.5	Very high	25 Å²	25	62.8 Å²	62.8	10%	0.098	31%	0.314	C	S	.	.	H	α-helix	trans	-89.9	-19.2	-179.3	-152.3	-94.1	0	0	0	112.8	I642 W645 S677 I678 V679 P683 K684 W717	I642-Y681 HydrophobicContact CG1-CE1 4.16Å; W645-Y681 AromaticContact CD1-CE2 3.84Å; W645-Y681 AromaticContact CD1-CZ 3.94Å; W645-Y681 AromaticContact CD2-CD1 3.99Å; W645-Y681 HydrophobicContact CD2-CD1 3.99Å; W645-Y681 HydrophobicContact CD2-CD2 4.13Å; W645-Y681 AromaticContact CD2-CE1 3.79Å; W645-Y681 HydrophobicContact CD2-CE1 3.79Å; W645-Y681 AromaticContact CD2-CE2 3.95Å; W645-Y681 HydrophobicContact CD2-CE2 3.95Å; W645-Y681 HydrophobicContact CD2-CG 4.15Å; W645-Y681 AromaticContact CD2-CZ 3.78Å; W645-Y681 AromaticContact CE2-CD2 3.6Å; W645-Y681 AromaticContact CE2-CE2 3.69Å; W645-Y681 AromaticContact CE2-CG 3.87Å; W645-Y681 AromaticContact CE3-CD1 3.8Å; W645-Y681 HydrophobicContact CE3-CD1 3.8Å; W645-Y681 AromaticContact CE3-CE1 3.87Å; W645-Y681 HydrophobicContact CE3-CE1 3.87Å; W645-Y681 HydrophobicContact CE3-CG 4.21Å; W645-Y681 HydrophobicContact CG-CE1 4.12Å; W645-Y681 HydrophobicContact CG-CE2 4.05Å; W645-Y681 AromaticContact CG-CZ 3.74Å; W645-Y681 HydrophobicContact CH2-CD1 4.14Å; W645-Y681 HydrophobicContact CH2-CD2 4.29Å; W645-Y681 AromaticContact CH2-CG 3.81Å; W645-Y681 HydrophobicContact CH2-CG 3.81Å; W645-Y681 HydrophobicContact CZ2-CD1 4.27Å; W645-Y681 AromaticContact CZ2-CD2 3.68Å; W645-Y681 HydrophobicContact CZ2-CD2 3.68Å; W645-Y681 HydrophobicContact CZ2-CE2 4.26Å; W645-Y681 AromaticContact CZ2-CG 3.69Å; W645-Y681 HydrophobicContact CZ2-CG 3.69Å; W645-Y681 AromaticContact CZ3-CD1 3.91Å; W645-Y681 HydrophobicContact CZ3-CD1 3.91Å; W645-Y681 HydrophobicContact CZ3-CE1 4.44Å; W645-Y681 HydrophobicContact CZ3-CG 4.07Å; W645-Y681 AromaticContact NE1-CD2 3.85Å; W645-Y681 AromaticContact NE1-CE2 3.59Å; S677-Y681 WeakPolarHBondContact O-CB 3.26Å; S677-Y681 PolarHBondContact O-N 3.08Å; I678-Y681 PolarHBondContact O-N 3.41Å; V679-Y681 PolarHBondContact O-N 2.92Å; Y681-P683 VanDerWaalsContact C-N 3.34Å; Y681-P683 VanDerWaalsContact O-N 3.17Å; Y681-K684 HydrophobicContact CD1-CB 4.36Å; Y681-K684 HydrophobicContact CD1-CD 4.2Å; Y681-K684 HydrophobicContact CD2-CD 4.11Å; Y681-K684 HydrophobicContact CE1-CB 4.25Å; Y681-K684 HydrophobicContact CE1-CD 3.77Å; Y681-K684 HydrophobicContact CE2-CD 3.68Å; Y681-K684 VanDerWaalsContact CE2-NZ 3.34Å; Y681-K684 HydrophobicContact CG-CD 4.35Å; Y681-K684 VanDerWaalsContact CZ-CD 3.48Å; Y681-K684 WeakPolarHBondContact O-CB 3.37Å; Y681-K684 PolarHBondContact O-N 3.23Å; Y681-K684 PolarHBondContact OH-NZ 2.89Å; Y681-W717 HydrophobicContact CD1-CZ3 4.15Å
682	K	93.4	Very high	94.5	Very high	96 Å²	96	64.2 Å²	64.2	42%	0.417	32%	0.32	S	S	.	.	H	α-helix	trans	-47.2	-41.9	-179.7	174.2	159.8	167.2	51.4	0	115.1	I678 V679 K684 I685 D686 W717	I678-K682 PolarHBondContact O-N 3.18Å; V679-K682 WeakPolarHBondContact O-CB 3.34Å; V679-K682 PolarHBondContact O-N 2.95Å; K682-K684 PolarHBondContact O-N 3.49Å; K682-I685 WeakPolarHBondContact O-CA 3.32Å; K682-I685 WeakPolarHBondContact O-CB 3.34Å; K682-I685 PolarHBondContact O-N 3.06Å; K682-D686 WeakPolarHBondContact CG-OD2 3.46Å; K682-D686 VanDerWaalsContact NZ-CG 3.35Å; K682-D686 IonicContact NZ-OD1 3.88Å; K682-D686 PolarHBondContact NZ-OD1 3.08Å; K682-D686 IonicContact NZ-OD2 3.37Å; K682-D686 PolarHBondContact NZ-OD2 3.38Å; K682-D686 PolarHBondContact O-N 3.39Å; K682-W717 HydrophobicContact CB-CH2 4.46Å; K682-W717 HydrophobicContact CB-CZ2 3.95Å
683	P	95.4	Very high	94.3	Very high	83 Å²	83	61 Å²	61	54%	0.539	31%	0.309	S	S	.	.	H	α-helix	trans	-57.8	-24	179	-27.5	36.6	0	0	0	115	Y681 Q687	Y681-P683 VanDerWaalsContact C-N 3.34Å; Y681-P683 VanDerWaalsContact O-N 3.17Å; P683-Q687 WeakPolarHBondContact O-CB 3.26Å; P683-Q687 PolarHBondContact O-N 3.19Å
684	K	95.6	Very high	94.3	Very high	90 Å²	90	58.5 Å²	58.5	39%	0.391	30%	0.3	S	S	.	.	H	α-helix	trans	-76.1	-32.2	173.3	-67.1	179.8	173.8	-174.9	0	112.9	I642 Y681 K682 Q687 L688	I642-K684 HydrophobicContact CD1-CB 4.42Å; Y681-K684 HydrophobicContact CD1-CB 4.36Å; Y681-K684 HydrophobicContact CD1-CD 4.2Å; Y681-K684 HydrophobicContact CD2-CD 4.11Å; Y681-K684 HydrophobicContact CE1-CB 4.25Å; Y681-K684 HydrophobicContact CE1-CD 3.77Å; Y681-K684 HydrophobicContact CE2-CD 3.68Å; Y681-K684 VanDerWaalsContact CE2-NZ 3.34Å; Y681-K684 HydrophobicContact CG-CD 4.35Å; Y681-K684 VanDerWaalsContact CZ-CD 3.48Å; Y681-K684 WeakPolarHBondContact O-CB 3.37Å; Y681-K684 PolarHBondContact O-N 3.23Å; Y681-K684 PolarHBondContact OH-NZ 2.89Å; K682-K684 PolarHBondContact O-N 3.49Å; K684-Q687 PolarHBondContact O-N 2.92Å; K684-L688 WeakPolarHBondContact O-CB 3.46Å; K684-L688 PolarHBondContact O-N 3.15Å
685	I	94.7	Very high	94.3	Very high	13 Å²	13	56.3 Å²	56.3	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-67.2	-44.4	172.3	-49.1	-59.5	0	0	0	109	I642 K682 Q687 L688 E689 M710 I713 W717	I642-I685 HydrophobicContact CD1-CD1 4.5Å; I642-I685 HydrophobicContact CG2-CD1 3.38Å; K682-I685 WeakPolarHBondContact O-CA 3.32Å; K682-I685 WeakPolarHBondContact O-CB 3.34Å; K682-I685 PolarHBondContact O-N 3.06Å; I685-Q687 VanDerWaalsContact C-N 3.3Å; I685-Q687 PolarHBondContact O-N 2.78Å; I685-L688 PolarHBondContact O-N 3.39Å; I685-L688 VanDerWaalsContact O-N 3.15Å; I685-E689 PolarHBondContact O-N 3.41Å; I685-M710 HydrophobicContact CG2-CE 4.46Å; I685-I713 HydrophobicContact CD1-CG2 4.32Å; I685-W717 HydrophobicContact CD1-CD2 4.11Å; I685-W717 HydrophobicContact CD1-CE3 3.52Å; I685-W717 HydrophobicContact CD1-CH2 4.47Å; I685-W717 HydrophobicContact CD1-CZ3 3.72Å; I685-W717 HydrophobicContact CG1-CD2 3.77Å; I685-W717 HydrophobicContact CG1-CE3 3.57Å; I685-W717 HydrophobicContact CG1-CH2 3.87Å; I685-W717 HydrophobicContact CG1-CZ2 4.09Å; I685-W717 HydrophobicContact CG1-CZ3 3.6Å
686	D	92.3	Very high	94	Very high	78 Å²	78	53.7 Å²	53.7	42%	0.417	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-37.2	176.4	-58.2	-32.5	0	0	0	111.6	K682 G690	K682-D686 WeakPolarHBondContact CG-OD2 3.46Å; K682-D686 VanDerWaalsContact NZ-CG 3.35Å; K682-D686 IonicContact NZ-OD1 3.88Å; K682-D686 PolarHBondContact NZ-OD1 3.08Å; K682-D686 IonicContact NZ-OD2 3.37Å; K682-D686 PolarHBondContact NZ-OD2 3.38Å; K682-D686 PolarHBondContact O-N 3.39Å; D686-G690 PolarHBondContact O-N 3.02Å; D686-G690 VanDerWaalsContact O-N 3.1Å
687	Q	94.8	Very high	93.7	Very high	108 Å²	108	51.6 Å²	51.6	51%	0.505	27%	0.272	S	S	.	.	H	α-helix	trans	-67	-40.7	172.7	-166.6	-176	-15.4	0	0	112.5	P683 K684 I685 G690 D691	P683-Q687 WeakPolarHBondContact O-CB 3.26Å; P683-Q687 PolarHBondContact O-N 3.19Å; K684-Q687 PolarHBondContact O-N 2.92Å; I685-Q687 VanDerWaalsContact C-N 3.3Å; I685-Q687 PolarHBondContact O-N 2.78Å; Q687-G690 PolarHBondContact O-N 3.2Å; Q687-D691 PolarHBondContact O-N 3.45Å
688	L	96.2	Very high	93.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.9	-37.5	176.2	-174.1	74.3	0	0	0	112	F635 Q638 A639 I642 K684 I685 G690 D691 H692 M710 I713	F635-L688 HydrophobicContact CD2-CD1 3.51Å; F635-L688 HydrophobicContact CD2-CG 4.05Å; F635-L688 HydrophobicContact CE2-CD1 3.6Å; F635-L688 HydrophobicContact CE2-CD2 4.25Å; F635-L688 HydrophobicContact CE2-CG 3.71Å; F635-L688 HydrophobicContact CG-CD1 4.06Å; F635-L688 HydrophobicContact CZ-CD1 4.24Å; F635-L688 HydrophobicContact CZ-CG 4.41Å; Q638-L688 HydrophobicContact CB-CD1 3.59Å; A639-L688 HydrophobicContact CB-CD1 4.11Å; A639-L688 HydrophobicContact CB-CD2 4.33Å; I642-L688 HydrophobicContact CD1-CB 3.88Å; I642-L688 HydrophobicContact CD1-CD1 4.4Å; I642-L688 HydrophobicContact CD1-CD2 3.87Å; I642-L688 HydrophobicContact CD1-CG 4.27Å; K684-L688 WeakPolarHBondContact O-CB 3.46Å; K684-L688 PolarHBondContact O-N 3.15Å; I685-L688 PolarHBondContact O-N 3.39Å; I685-L688 VanDerWaalsContact O-N 3.15Å; L688-G690 VanDerWaalsContact C-N 3.3Å; L688-G690 PolarHBondContact O-N 3.22Å; L688-D691 PolarHBondContact O-N 3.43Å; L688-H692 WeakPolarHBondContact O-CB 3.36Å; L688-H692 PolarHBondContact O-N 3.14Å; L688-M710 HydrophobicContact CB-CE 4.38Å; L688-M710 HydrophobicContact CB-SD 4.42Å; L688-M710 HydrophobicContact CD2-CE 4.08Å; L688-M710 HydrophobicContact CD2-SD 3.54Å; L688-M710 VanDerWaalsContact CD2-SD 3.54Å; L688-M710 HydrophobicContact CG-CE 4.25Å; L688-M710 HydrophobicContact CG-SD 3.69Å; L688-I713 HydrophobicContact CD2-CB 4.21Å; L688-I713 HydrophobicContact CD2-CG1 3.94Å; L688-I713 HydrophobicContact CD2-CG2 3.89Å
689	E	92.4	Very high	93	Very high	43 Å²	43	52.4 Å²	52.4	20%	0.201	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-38	173.1	-166.7	67.9	-119.5	0	0	110.8	I685 H692 Q693 M710 R714	I685-E689 PolarHBondContact O-N 3.41Å; E689-H692 WeakPolarHBondContact O-CB 3.35Å; E689-H692 PolarHBondContact O-N 2.99Å; E689-Q693 WeakPolarHBondContact O-CB 3.38Å; E689-Q693 PolarHBondContact O-N 3.39Å; E689-M710 HydrophobicContact CB-CE 3.89Å; E689-M710 HydrophobicContact CG-CE 4.47Å; E689-M710 WeakPolarHBondContact OE2-CE 3.46Å; E689-R714 IonicContact OE1-CZ 3.2Å; E689-R714 IonicContact OE1-NE 2.75Å; E689-R714 IonicContact OE1-NH2 2.74Å; E689-R714 PolarHBondContact OE1-NH2 3.11Å; E689-R714 IonicContact OE2-CZ 2.85Å; E689-R714 IonicContact OE2-NE 3.28Å; E689-R714 PolarHBondContact OE2-NE 2.88Å; E689-R714 IonicContact OE2-NH2 2.65Å
690	G	93.7	Very high	92.8	Very high	29 Å²	29	48 Å²	48	30%	0.299	25%	0.25	S	C	.	.	H	α-helix	trans	-63.9	-43.6	170.6	0	0	0	0	0	113.8	D686 Q687 L688 H692 Q693 L694	D686-G690 PolarHBondContact O-N 3.02Å; D686-G690 VanDerWaalsContact O-N 3.1Å; Q687-G690 PolarHBondContact O-N 3.2Å; L688-G690 VanDerWaalsContact C-N 3.3Å; L688-G690 PolarHBondContact O-N 3.22Å; G690-H692 VanDerWaalsContact C-N 3.27Å; G690-H692 PolarHBondContact O-N 2.87Å; G690-Q693 PolarHBondContact O-N 3.48Å; G690-L694 WeakPolarHBondContact O-CG 3.39Å; G690-L694 PolarHBondContact O-N 3.19Å; G690-L694 VanDerWaalsContact O-N 3.12Å
691	D	95.4	Very high	92.2	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-36.4	173.4	-72.2	-11.4	0	0	0	111.5	Q634 F635 Q638 Q687 L688 I695	Q634-D691 WeakPolarHBondContact CG-OD2 3.42Å; Q634-D691 PolarHBondContact NE2-OD1 3.43Å; F635-D691 HydrophobicContact CB-CB 4.3Å; F635-D691 HydrophobicContact CD2-CB 4.22Å; Q638-D691 PolarHBondContact NE2-OD2 2.98Å; Q687-D691 PolarHBondContact O-N 3.45Å; L688-D691 PolarHBondContact O-N 3.43Å; D691-I695 WeakPolarHBondContact O-CG1 3.5Å; D691-I695 PolarHBondContact O-N 2.94Å; D691-I695 VanDerWaalsContact O-N 3.13Å
692	H	93.7	Very high	91.8	Very high	30 Å²	30	48.7 Å²	48.7	14%	0.139	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-41	175.6	-168.7	53.6	0	0	0	112.4	F635 L688 E689 G690 L694 I695 Q696 M710	F635-H692 HydrophobicContact CD2-CB 4.14Å; F635-H692 HydrophobicContact CE2-CB 3.83Å; L688-H692 WeakPolarHBondContact O-CB 3.36Å; L688-H692 PolarHBondContact O-N 3.14Å; E689-H692 WeakPolarHBondContact O-CB 3.35Å; E689-H692 PolarHBondContact O-N 2.99Å; G690-H692 VanDerWaalsContact C-N 3.27Å; G690-H692 PolarHBondContact O-N 2.87Å; H692-L694 VanDerWaalsContact C-N 3.34Å; H692-L694 PolarHBondContact O-N 3.36Å; H692-I695 WeakPolarHBondContact O-CB 3.33Å; H692-I695 PolarHBondContact O-N 3.18Å; H692-Q696 PolarHBondContact NE2-NE2 3.39Å; H692-Q696 PolarHBondContact O-N 2.98Å; H692-M710 HydrophobicContact CB-CB 4.34Å; H692-M710 HydrophobicContact CB-CG 4.15Å; H692-M710 HydrophobicContact CB-SD 4.4Å
693	Q	91	Very high	91.7	Very high	33 Å²	33	45.8 Å²	45.8	15%	0.154	24%	0.241	C	C	.	.	H	α-helix	trans	-57.1	-46.3	174.2	168.9	155.9	12.9	0	0	111.2	E314 R317 E689 G690 I695 Q696 E697	E314-Q693 PolarHBondContact OE1-NE2 3.34Å; E314-Q693 PolarHBondContact OE2-NE2 2.93Å; R317-Q693 VanDerWaalsContact NH1-NE2 3.13Å; R317-Q693 PolarHBondContact NH2-O 2.97Å; E689-Q693 WeakPolarHBondContact O-CB 3.38Å; E689-Q693 PolarHBondContact O-N 3.39Å; G690-Q693 PolarHBondContact O-N 3.48Å; Q693-I695 VanDerWaalsContact C-N 3.35Å; Q693-I695 PolarHBondContact O-N 3.42Å; Q693-Q696 PolarHBondContact O-N 3.31Å; Q693-E697 WeakPolarHBondContact CG-OE1 3.48Å; Q693-E697 PolarHBondContact NE2-OE1 3.37Å; Q693-E697 WeakPolarHBondContact O-CB 3.36Å; Q693-E697 WeakPolarHBondContact O-CG 3.3Å; Q693-E697 PolarHBondContact O-N 3.39Å
694	L	93.5	Very high	91.6	Very high	77 Å²	77	48.2 Å²	48.2	40%	0.403	24%	0.243	S	C	.	.	H	α-helix	trans	-63.2	-38.2	176	-66.7	173.3	0	0	0	112.7	L631 G690 H692 E697 A698	L631-L694 HydrophobicContact CD1-CB 4.32Å; L631-L694 HydrophobicContact CD2-CB 3.98Å; L631-L694 HydrophobicContact CD2-CD1 4.21Å; G690-L694 WeakPolarHBondContact O-CG 3.39Å; G690-L694 PolarHBondContact O-N 3.19Å; G690-L694 VanDerWaalsContact O-N 3.12Å; H692-L694 VanDerWaalsContact C-N 3.34Å; H692-L694 PolarHBondContact O-N 3.36Å; L694-E697 PolarHBondContact O-N 2.95Å; L694-A698 VanDerWaalsContact O-CB 3.29Å; L694-A698 WeakPolarHBondContact O-CB 3.42Å; L694-A698 PolarHBondContact O-N 3.16Å
695	I	93.2	Very high	91.6	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.051	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-47.3	174.4	-81.7	178.2	0	0	0	111.2	L631 F635 D691 H692 Q693 A698 L699 I700	L631-I695 HydrophobicContact CB-CG1 3.84Å; F635-I695 HydrophobicContact CB-CD1 3.36Å; F635-I695 HydrophobicContact CD1-CD1 4.42Å; F635-I695 HydrophobicContact CD2-CD1 4.24Å; F635-I695 HydrophobicContact CG-CD1 3.76Å; D691-I695 WeakPolarHBondContact O-CG1 3.5Å; D691-I695 PolarHBondContact O-N 2.94Å; D691-I695 VanDerWaalsContact O-N 3.13Å; H692-I695 WeakPolarHBondContact O-CB 3.33Å; H692-I695 PolarHBondContact O-N 3.18Å; Q693-I695 VanDerWaalsContact C-N 3.35Å; Q693-I695 PolarHBondContact O-N 3.42Å; I695-A698 PolarHBondContact O-N 3.18Å; I695-L699 PolarHBondContact O-N 3.47Å; I695-I700 HydrophobicContact CG2-CB 3.93Å; I695-I700 HydrophobicContact CG2-CG2 4.16Å; I695-I700 WeakPolarHBondContact CG2-O 3.47Å; I695-I700 WeakPolarHBondContact O-CB 3.12Å; I695-I700 PolarHBondContact O-N 3.48Å
696	Q	88.5	Confident	91.7	Very high	9 Å²	9	47 Å²	47	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-40.8	177.3	-73.5	-175.6	-12.7	0	0	112.3	R317 E379 L383 H692 Q693 A698 L699	R317-Q696 VanDerWaalsContact NH2-CB 3.34Å; E379-Q696 PolarHBondContact OE1-NE2 3.23Å; L383-Q696 HydrophobicContact CD2-CG 4.38Å; H692-Q696 PolarHBondContact NE2-NE2 3.39Å; H692-Q696 PolarHBondContact O-N 2.98Å; Q693-Q696 PolarHBondContact O-N 3.31Å; Q696-A698 VanDerWaalsContact C-N 3.31Å; Q696-A698 PolarHBondContact O-N 3.4Å; Q696-L699 WeakPolarHBondContact O-CA 3.41Å; Q696-L699 PolarHBondContact O-N 2.86Å
697	E	88	Confident	91.8	Very high	96 Å²	96	50.5 Å²	50.5	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-67.3	-31.7	177.7	-76.7	166.9	-165.3	0	0	112.7	R317 Q693 L694 L699	R317-E697 IonicContact CZ-OE1 2.94Å; R317-E697 IonicContact NH1-OE1 2.82Å; R317-E697 PolarHBondContact NH1-OE1 3.09Å; R317-E697 IonicContact NH2-OE1 3.43Å; Q693-E697 WeakPolarHBondContact CG-OE1 3.48Å; Q693-E697 PolarHBondContact NE2-OE1 3.37Å; Q693-E697 WeakPolarHBondContact O-CB 3.36Å; Q693-E697 WeakPolarHBondContact O-CG 3.3Å; Q693-E697 PolarHBondContact O-N 3.39Å; L694-E697 PolarHBondContact O-N 2.95Å; E697-L699 PolarHBondContact O-N 3.15Å
698	A	90.1	Very high	91.8	Very high	25 Å²	25	48.6 Å²	48.6	21%	0.207	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4.9	170.1	0	0	0	0	0	113.8	L631 L694 I695 Q696 I700	L631-A698 HydrophobicContact CD1-CB 3.89Å; L694-A698 VanDerWaalsContact O-CB 3.29Å; L694-A698 WeakPolarHBondContact O-CB 3.42Å; L694-A698 PolarHBondContact O-N 3.16Å; I695-A698 PolarHBondContact O-N 3.18Å; Q696-A698 VanDerWaalsContact C-N 3.31Å; Q696-A698 PolarHBondContact O-N 3.4Å; A698-I700 HydrophobicContact CB-CD1 3.69Å; A698-I700 HydrophobicContact CB-CG1 3.9Å; A698-I700 PolarHBondContact O-N 2.94Å
699	L	86.5	Confident	91.6	Very high	34 Å²	34	51.9 Å²	51.9	18%	0.178	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	36.4	-178.2	-56	176.4	0	0	0	113.1	M306 I386 E390 I695 Q696 E697 F701	M306-L699 HydrophobicContact SD-CD1 4.23Å; I386-L699 HydrophobicContact CG2-CD2 3.5Å; E390-L699 VanDerWaalsContact CD-CD1 3.42Å; E390-L699 HydrophobicContact CG-CD1 4.28Å; E390-L699 WeakPolarHBondContact OE1-CD1 3.25Å; E390-L699 WeakPolarHBondContact OE2-CD1 3.4Å; I695-L699 PolarHBondContact O-N 3.47Å; Q696-L699 WeakPolarHBondContact O-CA 3.41Å; Q696-L699 PolarHBondContact O-N 2.86Å; E697-L699 PolarHBondContact O-N 3.15Å; L699-F701 VanDerWaalsContact C-CE2 3.49Å; L699-F701 HydrophobicContact CB-CE2 4.05Å; L699-F701 HydrophobicContact CB-CZ 4.3Å; L699-F701 HydrophobicContact CD2-CZ 4.12Å; L699-F701 WeakPolarHBondContact O-CD2 3.3Å; L699-F701 WeakPolarHBondContact O-CE2 3.5Å
700	I	89.1	Confident	91.6	Very high	5 Å²	5	50 Å²	50	3%	0.026	26%	0.258	C	S	.	.			trans	-96	124.5	176.1	-55.3	164.6	0	0	0	108.7	N628 L631 R632 I695 A698 D702	N628-I700 HydrophobicContact CB-CD1 3.47Å; N628-I700 VanDerWaalsContact CB-CD1 3.47Å; N628-I700 HydrophobicContact CB-CG1 4.02Å; L631-I700 HydrophobicContact CB-CD1 4.25Å; L631-I700 HydrophobicContact CD1-CD1 4.11Å; R632-I700 HydrophobicContact CG-CG2 3.74Å; I695-I700 HydrophobicContact CG2-CB 3.93Å; I695-I700 HydrophobicContact CG2-CG2 4.16Å; I695-I700 WeakPolarHBondContact CG2-O 3.47Å; I695-I700 WeakPolarHBondContact O-CB 3.12Å; I695-I700 PolarHBondContact O-N 3.48Å; A698-I700 HydrophobicContact CB-CD1 3.69Å; A698-I700 HydrophobicContact CB-CG1 3.9Å; A698-I700 PolarHBondContact O-N 2.94Å; I700-D702 WeakPolarHBondContact CG2-O 3.4Å
701	F	82.2	Confident	91.3	Very high	76 Å²	76	50.9 Å²	50.9	33%	0.333	26%	0.255	S	S	.	.			trans	-121.9	-7.6	-177.1	-52.7	-80.4	0	0	0	113.7	L383 R387 L699	L383-F701 HydrophobicContact CB-CD1 4.41Å; L383-F701 HydrophobicContact CB-CE1 3.94Å; L383-F701 HydrophobicContact CD2-CE1 3.94Å; L383-F701 HydrophobicContact CG-CE1 4.36Å; R387-F701 HydrophobicContact CG-CD2 4.09Å; R387-F701 HydrophobicContact CG-CE2 3.36Å; R387-F701 HydrophobicContact CG-CZ 3.61Å; L699-F701 VanDerWaalsContact C-CE2 3.49Å; L699-F701 HydrophobicContact CB-CE2 4.05Å; L699-F701 HydrophobicContact CB-CZ 4.3Å; L699-F701 HydrophobicContact CD2-CZ 4.12Å; L699-F701 WeakPolarHBondContact O-CD2 3.3Å; L699-F701 WeakPolarHBondContact O-CE2 3.5Å
702	D	87.8	Confident	91.1	Very high	79 Å²	79	56 Å²	56	42%	0.422	28%	0.278	S	S	.	.			trans	-112	146.2	176.3	73.9	-67.3	0	0	0	110.9	R632 I700	R632-D702 IonicContact CZ-OD1 2.71Å; R632-D702 IonicContact CZ-OD2 2.67Å; R632-D702 PolarHBondContact NE-O 3.07Å; R632-D702 VanDerWaalsContact NE-O 3.16Å; R632-D702 IonicContact NE-OD1 2.64Å; R632-D702 PolarHBondContact NE-OD1 2.9Å; R632-D702 IonicContact NE-OD2 2.87Å; R632-D702 PolarHBondContact NE-OD2 3.35Å; R632-D702 IonicContact NH2-OD1 2.6Å; R632-D702 PolarHBondContact NH2-OD1 3.44Å; R632-D702 IonicContact NH2-OD2 3.14Å; I700-D702 WeakPolarHBondContact CG2-O 3.4Å
703	N	92.3	Very high	91.2	Very high	34 Å²	34	54.7 Å²	54.7	18%	0.182	27%	0.272	C	S	.	.			trans	-142.9	93.7	169.9	-164.6	-17.6	0	0	0	112.2	R632 F635 H705 T706	R632-N703 PolarHBondContact O-ND2 3.16Å; R632-N703 PolarHBondContact O-OD1 3.21Å; F635-N703 WeakPolarHBondContact CD1-ND2 3.46Å; N703-H705 PolarHBondContact O-N 3.12Å; N703-H705 WeakPolarHBondContact OD1-CB 3.24Å; N703-H705 PolarHBondContact OD1-N 2.96Å; N703-T706 HydrophobicContact CB-CG2 4.37Å; N703-T706 PolarHBondContact O-N 3.09Å; N703-T706 VanDerWaalsContact O-O 3.07Å
704	K	93	Very high	91.1	Very high	135 Å²	135	54.2 Å²	54.2	59%	0.587	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-5.3	176	67.1	-172.8	175.8	-173.2	0	115.6	E629	E629-K704 IonicContact OE2-NZ 2.84Å
705	H	95.8	Very high	90.9	Very high	59 Å²	59	54.1 Å²	54.1	27%	0.273	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-2.3	-177.6	-55.1	-74.1	0	0	0	113.7	E629 K633 N640 N703	E629-H705 IonicContact OE1-CE1 2.97Å; E629-H705 PolarHBondContact OE1-CE1 2.95Å; E629-H705 VanDerWaalsContact OE1-CE1 3.24Å; E629-H705 IonicContact OE1-NE2 3.15Å; E629-H705 PolarHBondContact OE1-NE2 3.36Å; E629-H705 IonicContact OE2-NE2 2.66Å; E629-H705 PolarHBondContact OE2-NE2 3.31Å; K633-H705 VanDerWaalsContact CE-CE1 3.42Å; K633-H705 WeakPolarHBondContact CE-CE1 3.5Å; N640-H705 PolarHBondContact ND2-O 3.01Å; N703-H705 PolarHBondContact O-N 3.12Å; N703-H705 WeakPolarHBondContact OD1-CB 3.24Å; N703-H705 PolarHBondContact OD1-N 2.96Å
706	T	95.9	Very high	90.9	Very high	17 Å²	17	54.3 Å²	54.3	10%	0.104	28%	0.276	C	S	.	.			trans	-154.2	150.5	176.2	-173.8	0	0	0	0	112.5	F635 A639 N640 N703 Y708	F635-T706 HydrophobicContact CD1-CG2 4.04Å; F635-T706 HydrophobicContact CE1-CG2 3.99Å; A639-T706 HydrophobicContact CB-CG2 4.43Å; N640-T706 VanDerWaalsContact OD1-CB 3.23Å; N640-T706 WeakPolarHBondContact OD1-CB 3.22Å; N640-T706 PolarHBondContact OD1-OG1 3.45Å; N703-T706 HydrophobicContact CB-CG2 4.37Å; N703-T706 PolarHBondContact O-N 3.09Å; N703-T706 VanDerWaalsContact O-O 3.07Å; T706-Y708 WeakPolarHBondContact CG2-O 3.28Å; T706-Y708 PolarHBondContact OG1-N 2.91Å
707	N	94.5	Very high	91.1	Very high	153 Å²	153	54.9 Å²	54.9	82%	0.818	28%	0.278	S	S	*	.	S	Bend	trans	-91.5	-6.5	169.3	-62.5	-25.6	0	0	0	112.2
708	Y	94.9	Very high	91.2	Very high	67 Å²	67	51.8 Å²	51.8	26%	0.263	26%	0.263	S	S	.	.			trans	-87.5	117	177.3	-66.2	-76.9	0	0	0	109.7	F635 P644 T706 H712 I713	F635-Y708 WeakPolarHBondContact CE1-O 3.37Å; P644-Y708 HydrophobicContact CG-CE2 4.37Å; T706-Y708 WeakPolarHBondContact CG2-O 3.28Å; T706-Y708 PolarHBondContact OG1-N 2.91Å; Y708-H712 HydrophobicContact CD1-CB 4.38Å; Y708-I713 HydrophobicContact CD1-CD1 3.82Å; Y708-I713 HydrophobicContact CG-CD1 4.03Å
709	T	92.7	Very high	91.2	Very high	69 Å²	69	54.8 Å²	54.8	42%	0.423	27%	0.273	S	S	.	.			trans	-79.8	163	163.6	61.3	0	0	0	0	109	E711 H712 I713	T709-E711 PolarHBondContact O-N 3Å; T709-H712 PolarHBondContact O-N 3.23Å; T709-H712 PolarHBondContact OG1-N 3.35Å; T709-H712 VanDerWaalsContact OG1-N 3.14Å; T709-H712 PolarHBondContact OG1-ND1 3.44Å; T709-I713 PolarHBondContact O-N 2.91Å
710	M	91.6	Very high	91.5	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.015	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-32.8	173.3	-164.6	59.2	-162.7	0	0	111	F635 I685 L688 E689 H692 I713 R714	F635-M710 HydrophobicContact CE2-CB 4.3Å; F635-M710 HydrophobicContact CE2-SD 3.89Å; F635-M710 HydrophobicContact CZ-CB 4.18Å; F635-M710 HydrophobicContact CZ-SD 4.28Å; I685-M710 HydrophobicContact CG2-CE 4.46Å; L688-M710 HydrophobicContact CB-CE 4.38Å; L688-M710 HydrophobicContact CB-SD 4.42Å; L688-M710 HydrophobicContact CD2-CE 4.08Å; L688-M710 HydrophobicContact CD2-SD 3.54Å; L688-M710 VanDerWaalsContact CD2-SD 3.54Å; L688-M710 HydrophobicContact CG-CE 4.25Å; L688-M710 HydrophobicContact CG-SD 3.69Å; E689-M710 HydrophobicContact CB-CE 3.89Å; E689-M710 HydrophobicContact CG-CE 4.47Å; E689-M710 WeakPolarHBondContact OE2-CE 3.46Å; H692-M710 HydrophobicContact CB-CB 4.34Å; H692-M710 HydrophobicContact CB-CG 4.15Å; H692-M710 HydrophobicContact CB-SD 4.4Å; M710-I713 PolarHBondContact O-N 2.68Å; M710-I713 VanDerWaalsContact O-N 3.13Å; M710-I713 HydrophobicContact SD-CB 4.49Å; M710-R714 HydrophobicContact CE-CG 4.25Å; M710-R714 HydrophobicContact CG-CG 4.29Å; M710-R714 WeakPolarHBondContact O-CG 3.28Å; M710-R714 PolarHBondContact O-N 3.21Å
711	E	87.5	Confident	91.7	Very high	49 Å²	49	55.4 Å²	55.4	23%	0.229	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-41.4	176.5	-157.6	59.9	-165.3	0	0	113.8	R320 T709 I713 R714 V715	R320-E711 IonicContact CZ-OE1 2.91Å; R320-E711 IonicContact CZ-OE2 2.72Å; R320-E711 IonicContact NH1-OE1 3.32Å; R320-E711 IonicContact NH2-OE1 2.67Å; R320-E711 PolarHBondContact NH2-OE1 2.83Å; R320-E711 IonicContact NH2-OE2 2.76Å; R320-E711 PolarHBondContact NH2-OE2 3.24Å; T709-E711 PolarHBondContact O-N 3Å; E711-I713 PolarHBondContact O-N 3.44Å; E711-R714 PolarHBondContact O-N 3.28Å; E711-R714 IonicContact OE2-CZ 3.32Å; E711-R714 IonicContact OE2-NH1 3.31Å; E711-R714 PolarHBondContact OE2-NH1 3.44Å; E711-V715 HydrophobicContact CG-CG2 4.31Å; E711-V715 WeakPolarHBondContact O-CB 3.15Å; E711-V715 WeakPolarHBondContact O-CG2 3.33Å; E711-V715 PolarHBondContact O-N 3.1Å
712	H	91.1	Very high	91.9	Very high	116 Å²	116	52.9 Å²	52.9	54%	0.537	27%	0.267	S	S	.	.	H	α-helix	trans	-59.1	-35.8	172.9	-67.3	156.1	0	0	0	111.8	Y708 T709 G716	Y708-H712 HydrophobicContact CD1-CB 4.38Å; T709-H712 PolarHBondContact O-N 3.23Å; T709-H712 PolarHBondContact OG1-N 3.35Å; T709-H712 VanDerWaalsContact OG1-N 3.14Å; T709-H712 PolarHBondContact OG1-ND1 3.44Å; H712-G716 PolarHBondContact O-N 3.19Å; H712-G716 VanDerWaalsContact O-N 3.08Å
713	I	95	Very high	91.9	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-74.9	-43.9	177.5	-57.7	-56.7	0	0	0	111.7	I642 I646 I685 L688 Y708 T709 M710 E711 G716 W717	I642-I713 HydrophobicContact CG2-CD1 4.24Å; I642-I713 HydrophobicContact CG2-CG2 3.69Å; I646-I713 HydrophobicContact CD1-CG2 4.07Å; I685-I713 HydrophobicContact CD1-CG2 4.32Å; L688-I713 HydrophobicContact CD2-CB 4.21Å; L688-I713 HydrophobicContact CD2-CG1 3.94Å; L688-I713 HydrophobicContact CD2-CG2 3.89Å; Y708-I713 HydrophobicContact CD1-CD1 3.82Å; Y708-I713 HydrophobicContact CG-CD1 4.03Å; T709-I713 PolarHBondContact O-N 2.91Å; M710-I713 PolarHBondContact O-N 2.68Å; M710-I713 VanDerWaalsContact O-N 3.13Å; M710-I713 HydrophobicContact SD-CB 4.49Å; E711-I713 PolarHBondContact O-N 3.44Å; I713-G716 PolarHBondContact O-N 3.33Å; I713-W717 WeakPolarHBondContact O-CB 3.34Å; I713-W717 PolarHBondContact O-N 2.77Å
714	R	90.2	Very high	91.9	Very high	23 Å²	23	49 Å²	49	9%	0.087	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-53.3	177.3	-69.4	173.8	-167.8	149.3	-8.8	111.1	E379 E689 M710 E711 G716 W717 E718	E379-R714 IonicContact OE1-CZ 3.18Å; E379-R714 IonicContact OE1-NH1 3.8Å; E379-R714 PolarHBondContact OE1-NH1 3.24Å; E379-R714 IonicContact OE1-NH2 2.76Å; E379-R714 IonicContact OE2-NH1 2.91Å; E379-R714 PolarHBondContact OE2-NH1 2.91Å; E689-R714 IonicContact OE1-CZ 3.2Å; E689-R714 IonicContact OE1-NE 2.75Å; E689-R714 IonicContact OE1-NH2 2.74Å; E689-R714 PolarHBondContact OE1-NH2 3.11Å; E689-R714 IonicContact OE2-CZ 2.85Å; E689-R714 IonicContact OE2-NE 3.28Å; E689-R714 PolarHBondContact OE2-NE 2.88Å; E689-R714 IonicContact OE2-NH2 2.65Å; M710-R714 HydrophobicContact CE-CG 4.25Å; M710-R714 HydrophobicContact CG-CG 4.29Å; M710-R714 WeakPolarHBondContact O-CG 3.28Å; M710-R714 PolarHBondContact O-N 3.21Å; E711-R714 PolarHBondContact O-N 3.28Å; E711-R714 IonicContact OE2-CZ 3.32Å; E711-R714 IonicContact OE2-NH1 3.31Å; E711-R714 PolarHBondContact OE2-NH1 3.44Å; R714-G716 PolarHBondContact O-N 3.11Å; R714-W717 PolarHBondContact O-N 2.85Å; R714-E718 WeakPolarHBondContact O-CG 3.36Å; R714-E718 PolarHBondContact O-N 2.86Å
715	V	88.7	Confident	91.8	Very high	75 Å²	75	43.2 Å²	43.2	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-44.6	178.7	175	0	0	0	0	111.1	E711 W717 E718 Q719	E711-V715 HydrophobicContact CG-CG2 4.31Å; E711-V715 WeakPolarHBondContact O-CB 3.15Å; E711-V715 WeakPolarHBondContact O-CG2 3.33Å; E711-V715 PolarHBondContact O-N 3.1Å; V715-W717 VanDerWaalsContact C-N 3.27Å; V715-W717 PolarHBondContact O-N 2.7Å; V715-E718 PolarHBondContact O-N 3.45Å; V715-Q719 VanDerWaalsContact O-CB 3.26Å; V715-Q719 WeakPolarHBondContact O-CB 3.42Å; V715-Q719 PolarHBondContact O-N 3.16Å
716	G	92.7	Very high	91.3	Very high	15 Å²	15	44.7 Å²	44.7	16%	0.155	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-34.9	176.1	0	0	0	0	0	113.2	I646 H712 I713 R714 L720	I646-G716 VanDerWaalsContact CG2-O 3.31Å; I646-G716 WeakPolarHBondContact CG2-O 3.44Å; H712-G716 PolarHBondContact O-N 3.19Å; H712-G716 VanDerWaalsContact O-N 3.08Å; I713-G716 PolarHBondContact O-N 3.33Å; R714-G716 PolarHBondContact O-N 3.11Å; G716-L720 VanDerWaalsContact O-CB 3.27Å; G716-L720 WeakPolarHBondContact O-CB 3.47Å; G716-L720 PolarHBondContact O-N 2.94Å
717	W	93.7	Very high	90.9	Very high	20 Å²	20	44.3 Å²	44.3	8%	0.076	23%	0.226	C	C	.	.	H	α-helix	trans	-74.9	-44.9	177.4	-174.7	-93.1	0	0	0	112.9	W645 I646 I678 Y681 K682 I685 I713 R714 V715 Q719 L720 L721	W645-W717 HydrophobicContact CE3-CZ3 4.4Å; W645-W717 HydrophobicContact CH2-CZ3 4.35Å; W645-W717 HydrophobicContact CZ3-CE3 4.49Å; W645-W717 HydrophobicContact CZ3-CH2 4.38Å; W645-W717 AromaticContact CZ3-CZ3 3.64Å; W645-W717 HydrophobicContact CZ3-CZ3 3.64Å; I646-W717 HydrophobicContact CD1-CB 4.28Å; I646-W717 HydrophobicContact CD1-CE3 4.12Å; I646-W717 HydrophobicContact CG1-CE3 4.13Å; I678-W717 HydrophobicContact CG2-CH2 3.69Å; I678-W717 HydrophobicContact CG2-CZ2 3.76Å; I678-W717 HydrophobicContact CG2-CZ3 4.36Å; I678-W717 VanDerWaalsContact O-CH2 3.32Å; I678-W717 WeakPolarHBondContact O-CH2 3.34Å; Y681-W717 HydrophobicContact CD1-CZ3 4.15Å; K682-W717 HydrophobicContact CB-CH2 4.46Å; K682-W717 HydrophobicContact CB-CZ2 3.95Å; I685-W717 HydrophobicContact CD1-CD2 4.11Å; I685-W717 HydrophobicContact CD1-CE3 3.52Å; I685-W717 HydrophobicContact CD1-CH2 4.47Å; I685-W717 HydrophobicContact CD1-CZ3 3.72Å; I685-W717 HydrophobicContact CG1-CD2 3.77Å; I685-W717 HydrophobicContact CG1-CE3 3.57Å; I685-W717 HydrophobicContact CG1-CH2 3.87Å; I685-W717 HydrophobicContact CG1-CZ2 4.09Å; I685-W717 HydrophobicContact CG1-CZ3 3.6Å; I713-W717 WeakPolarHBondContact O-CB 3.34Å; I713-W717 PolarHBondContact O-N 2.77Å; R714-W717 PolarHBondContact O-N 2.85Å; V715-W717 VanDerWaalsContact C-N 3.27Å; V715-W717 PolarHBondContact O-N 2.7Å; W717-Q719 VanDerWaalsContact C-N 3.31Å; W717-Q719 PolarHBondContact O-N 3.41Å; W717-L720 HydrophobicContact CE3-CD2 4.39Å; W717-L720 HydrophobicContact CZ3-CD2 4.49Å; W717-L720 PolarHBondContact O-N 2.64Å; W717-L721 WeakPolarHBondContact O-CG 3.41Å; W717-L721 PolarHBondContact O-N 2.79Å
718	E	89	Confident	90.7	Very high	32 Å²	32	37.2 Å²	37.2	15%	0.15	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-41.3	173.7	-71.2	-179	-174.6	0	0	110.9	K324 V328 R714 V715 T722	K324-E718 VanDerWaalsContact NZ-CD 3.31Å; K324-E718 IonicContact NZ-OE1 3.67Å; K324-E718 PolarHBondContact NZ-OE1 3.04Å; K324-E718 IonicContact NZ-OE2 3.71Å; K324-E718 PolarHBondContact NZ-OE2 3.33Å; V328-E718 HydrophobicContact CG1-CB 4.44Å; V328-E718 HydrophobicContact CG1-CG 4.36Å; V328-E718 HydrophobicContact CG2-CG 4.32Å; R714-E718 WeakPolarHBondContact O-CG 3.36Å; R714-E718 PolarHBondContact O-N 2.86Å; V715-E718 PolarHBondContact O-N 3.45Å; E718-T722 PolarHBondContact O-N 3.18Å; E718-T722 PolarHBondContact O-OG1 3.39Å
719	Q	90.4	Very high	90.4	Very high	88 Å²	88	34.1 Å²	34.1	41%	0.411	18%	0.175	S	C	.	.	H	α-helix	trans	-64.8	-44.9	173.9	-174.2	61.2	45.8	0	0	111.8	M650 V715 W717 L721 T722 T723	M650-Q719 HydrophobicContact SD-CB 4.4Å; M650-Q719 HydrophobicContact SD-CG 3.85Å; V715-Q719 VanDerWaalsContact O-CB 3.26Å; V715-Q719 WeakPolarHBondContact O-CB 3.42Å; V715-Q719 PolarHBondContact O-N 3.16Å; W717-Q719 VanDerWaalsContact C-N 3.31Å; W717-Q719 PolarHBondContact O-N 3.41Å; Q719-L721 VanDerWaalsContact C-N 3.35Å; Q719-L721 PolarHBondContact O-N 3.27Å; Q719-T722 PolarHBondContact O-N 2.93Å; Q719-T723 PolarHBondContact NE2-OG1 3.28Å; Q719-T723 VanDerWaalsContact NE2-OG1 3.15Å; Q719-T723 WeakPolarHBondContact O-CB 3.34Å; Q719-T723 PolarHBondContact O-N 3.07Å; Q719-T723 PolarHBondContact O-OG1 3.14Å
720	L	93.8	Very high	89.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-43.6	177.6	174.7	63.5	0	0	0	112.1	W645 I646 K649 M650 I653 I678 G716 W717 T723 I724	W645-L720 HydrophobicContact CZ3-CD2 3.8Å; I646-L720 HydrophobicContact CG1-CD2 4.39Å; I646-L720 HydrophobicContact CG2-CB 4.32Å; I646-L720 HydrophobicContact CG2-CD2 4.33Å; K649-L720 HydrophobicContact CB-CD1 3.84Å; K649-L720 HydrophobicContact CB-CD2 4.18Å; M650-L720 HydrophobicContact CG-CB 4.2Å; M650-L720 HydrophobicContact CG-CD1 3.69Å; I653-L720 HydrophobicContact CD1-CD1 3.62Å; I678-L720 HydrophobicContact CD1-CD1 4.06Å; I678-L720 HydrophobicContact CD1-CD2 4.25Å; I678-L720 HydrophobicContact CD1-CG 3.99Å; I678-L720 HydrophobicContact CG1-CD2 4.15Å; I678-L720 HydrophobicContact CG1-CG 4.43Å; I678-L720 HydrophobicContact CG2-CD2 4.47Å; G716-L720 VanDerWaalsContact O-CB 3.27Å; G716-L720 WeakPolarHBondContact O-CB 3.47Å; G716-L720 PolarHBondContact O-N 2.94Å; W717-L720 HydrophobicContact CE3-CD2 4.39Å; W717-L720 HydrophobicContact CZ3-CD2 4.49Å; W717-L720 PolarHBondContact O-N 2.64Å; L720-T723 PolarHBondContact O-N 2.72Å; L720-I724 WeakPolarHBondContact O-CG2 3.32Å; L720-I724 PolarHBondContact O-N 3.15Å
721	L	91.9	Very high	89.7	Confident	51 Å²	51	34.7 Å²	34.7	27%	0.267	17%	0.174	S	C	.	.	H	α-helix	trans	-62.4	-44.2	175.4	-73.8	173.4	0	0	0	112.1	I678 W717 Q719 I724 A725	I678-L721 HydrophobicContact CG2-CD2 3.74Å; W717-L721 WeakPolarHBondContact O-CG 3.41Å; W717-L721 PolarHBondContact O-N 2.79Å; Q719-L721 VanDerWaalsContact C-N 3.35Å; Q719-L721 PolarHBondContact O-N 3.27Å; L721-I724 VanDerWaalsContact O-CG2 3.26Å; L721-I724 WeakPolarHBondContact O-CG2 3.49Å; L721-A725 WeakPolarHBondContact O-CB 3.18Å; L721-A725 PolarHBondContact O-N 3.05Å
722	T	87.1	Confident	89.7	Confident	23 Å²	23	35.4 Å²	35.4	14%	0.141	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-41.7	178.6	-52.5	0	0	0	0	111.2	E718 Q719 R726	E718-T722 PolarHBondContact O-N 3.18Å; E718-T722 PolarHBondContact O-OG1 3.39Å; Q719-T722 PolarHBondContact O-N 2.93Å; T722-R726 VanDerWaalsContact O-CB 3.3Å; T722-R726 WeakPolarHBondContact O-CB 3.47Å; T722-R726 PolarHBondContact O-N 3.44Å
723	T	88.7	Confident	89.3	Confident	29 Å²	29	30.4 Å²	30.4	18%	0.178	15%	0.154	C	C	.	.	H	α-helix	trans	-64.5	-50	178.9	-58.8	0	0	0	0	111.6	I653 Q719 L720 A725 R726 T727	I653-T723 HydrophobicContact CG2-CG2 4.12Å; Q719-T723 PolarHBondContact NE2-OG1 3.28Å; Q719-T723 VanDerWaalsContact NE2-OG1 3.15Å; Q719-T723 WeakPolarHBondContact O-CB 3.34Å; Q719-T723 PolarHBondContact O-N 3.07Å; Q719-T723 PolarHBondContact O-OG1 3.14Å; L720-T723 PolarHBondContact O-N 2.72Å; T723-A725 VanDerWaalsContact C-N 3.3Å; T723-A725 PolarHBondContact O-N 2.91Å; T723-R726 PolarHBondContact O-N 3.47Å; T723-T727 PolarHBondContact O-N 3.45Å; T723-T727 PolarHBondContact O-OG1 3.34Å; T723-T727 VanDerWaalsContact O-OG1 3.11Å
724	I	91.9	Very high	88.6	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-42.5	-179.9	-175.2	60.4	0	0	0	111.7	I653 L671 E675 I678 L720 L721 T727 I728	I653-I724 HydrophobicContact CD1-CB 3.86Å; I653-I724 HydrophobicContact CD1-CD1 3.89Å; I653-I724 HydrophobicContact CD1-CG1 4.33Å; I653-I724 HydrophobicContact CG1-CD1 3.94Å; I653-I724 HydrophobicContact CG2-CD1 4.38Å; L671-I724 HydrophobicContact CB-CD1 4.08Å; L671-I724 HydrophobicContact CD2-CD1 3.68Å; E675-I724 HydrophobicContact CB-CG1 4.13Å; I678-I724 HydrophobicContact CD1-CB 4.14Å; I678-I724 HydrophobicContact CD1-CG1 4.29Å; I678-I724 HydrophobicContact CD1-CG2 3.98Å; L720-I724 WeakPolarHBondContact O-CG2 3.32Å; L720-I724 PolarHBondContact O-N 3.15Å; L721-I724 VanDerWaalsContact O-CG2 3.26Å; L721-I724 WeakPolarHBondContact O-CG2 3.49Å; I724-T727 PolarHBondContact O-N 3.4Å; I724-I728 HydrophobicContact CD1-CD1 4.15Å; I724-I728 HydrophobicContact CD1-CG1 4.36Å; I724-I728 HydrophobicContact CG1-CD1 3.89Å; I724-I728 WeakPolarHBondContact O-CB 3.35Å; I724-I728 VanDerWaalsContact O-CG1 3.24Å; I724-I728 WeakPolarHBondContact O-CG1 3.32Å; I724-I728 PolarHBondContact O-N 2.96Å
725	A	89.9	Confident	88.3	Confident	13 Å²	13	32 Å²	32	11%	0.107	16%	0.163	C	C	.	.	H	α-helix	trans	-69.8	-37.4	-178.2	0	0	0	0	0	112.2	C332 I336 L721 T723 N729	C332-A725 WeakPolarHBondContact SG-CB 3.44Å; I336-A725 HydrophobicContact CD1-CB 4.07Å; L721-A725 WeakPolarHBondContact O-CB 3.18Å; L721-A725 PolarHBondContact O-N 3.05Å; T723-A725 VanDerWaalsContact C-N 3.3Å; T723-A725 PolarHBondContact O-N 2.91Å; A725-N729 PolarHBondContact O-N 3.5Å; A725-N729 VanDerWaalsContact O-N 3.08Å
726	R	85.2	Confident	88.1	Confident	90 Å²	90	31.4 Å²	31.4	34%	0.34	16%	0.157	S	C	.	.	H	α-helix	trans	-64.1	-49.3	172.4	-174.6	-178.5	-64.6	158.3	-0.5	111.9	E335 T722 T723 I728 N729 E730	E335-R726 IonicContact OE1-NH2 2.64Å; E335-R726 IonicContact OE2-CZ 3.14Å; E335-R726 IonicContact OE2-NE 3.31Å; E335-R726 IonicContact OE2-NH2 3.15Å; E335-R726 PolarHBondContact OE2-NH2 2.87Å; T722-R726 VanDerWaalsContact O-CB 3.3Å; T722-R726 WeakPolarHBondContact O-CB 3.47Å; T722-R726 PolarHBondContact O-N 3.44Å; T723-R726 PolarHBondContact O-N 3.47Å; R726-I728 VanDerWaalsContact C-N 3.32Å; R726-I728 PolarHBondContact O-N 3.32Å; R726-N729 WeakPolarHBondContact O-CB 3.34Å; R726-N729 PolarHBondContact O-N 2.66Å; R726-E730 WeakPolarHBondContact CG-OE1 3.34Å; R726-E730 WeakPolarHBondContact O-CG 3.48Å; R726-E730 PolarHBondContact O-N 3.49Å
727	T	88	Confident	87.3	Confident	9 Å²	9	30.7 Å²	30.7	6%	0.055	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-35.6	179.8	-55.7	0	0	0	0	112.3	I653 S657 L671 T723 I724 E730 V731	I653-T727 HydrophobicContact CG2-CG2 4.17Å; S657-T727 VanDerWaalsContact OG-CG2 3.31Å; S657-T727 WeakPolarHBondContact OG-CG2 3.43Å; L671-T727 HydrophobicContact CD1-CG2 3.94Å; L671-T727 HydrophobicContact CD2-CG2 3.91Å; T723-T727 PolarHBondContact O-N 3.45Å; T723-T727 PolarHBondContact O-OG1 3.34Å; T723-T727 VanDerWaalsContact O-OG1 3.11Å; I724-T727 PolarHBondContact O-N 3.4Å; T727-E730 PolarHBondContact O-N 2.92Å; T727-V731 WeakPolarHBondContact O-CG2 3.5Å; T727-V731 PolarHBondContact O-N 3.49Å; T727-V731 VanDerWaalsContact O-N 3.1Å
728	I	91.1	Very high	86.6	Confident	4 Å²	4	31 Å²	31	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-49.2	169.4	-77.3	169.4	0	0	0	110.7	L668 L671 R672 E675 I724 R726 E730 V731 E732	L668-I728 HydrophobicContact CD1-CG2 4.07Å; L671-I728 HydrophobicContact CB-CD1 4.3Å; L671-I728 HydrophobicContact CB-CG1 3.68Å; L671-I728 HydrophobicContact CD1-CG1 4.31Å; R672-I728 VanDerWaalsContact NH2-CG2 3.3Å; E675-I728 HydrophobicContact CB-CD1 4.25Å; I724-I728 HydrophobicContact CD1-CD1 4.15Å; I724-I728 HydrophobicContact CD1-CG1 4.36Å; I724-I728 HydrophobicContact CG1-CD1 3.89Å; I724-I728 WeakPolarHBondContact O-CB 3.35Å; I724-I728 VanDerWaalsContact O-CG1 3.24Å; I724-I728 WeakPolarHBondContact O-CG1 3.32Å; I724-I728 PolarHBondContact O-N 2.96Å; R726-I728 VanDerWaalsContact C-N 3.32Å; R726-I728 PolarHBondContact O-N 3.32Å; I728-E730 PolarHBondContact O-N 2.92Å; I728-V731 PolarHBondContact O-N 3.4Å; I728-E732 HydrophobicContact CG2-CG 4.4Å; I728-E732 WeakPolarHBondContact CG2-OE1 3.29Å; I728-E732 WeakPolarHBondContact O-CB 3.47Å; I728-E732 WeakPolarHBondContact O-CG 3.49Å; I728-E732 PolarHBondContact O-N 2.78Å
729	N	87.3	Confident	86.2	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-36.5	-179.8	-176.2	-112.9	0	0	0	113.1	I336 N339 T340 A725 R726 E732 N733	I336-N729 HydrophobicContact CG1-CB 4.05Å; I336-N729 HydrophobicContact CG2-CB 4.49Å; N339-N729 VanDerWaalsContact CB-OD1 3.29Å; N339-N729 WeakPolarHBondContact CB-OD1 3.4Å; T340-N729 PolarHBondContact OG1-ND2 3.49Å; A725-N729 PolarHBondContact O-N 3.5Å; A725-N729 VanDerWaalsContact O-N 3.08Å; R726-N729 WeakPolarHBondContact O-CB 3.34Å; R726-N729 PolarHBondContact O-N 2.66Å; N729-E732 PolarHBondContact O-N 2.8Å; N729-N733 WeakPolarHBondContact O-CB 3.41Å; N729-N733 PolarHBondContact O-N 3.26Å; N729-N733 PolarHBondContact O-ND2 3.08Å; N729-N733 PolarHBondContact OD1-ND2 3.47Å
730	E	83.7	Confident	85.4	Confident	77 Å²	77	33.1 Å²	33.1	36%	0.36	18%	0.175	S	C	.	.	H	α-helix	trans	-59.7	-46.7	172.9	-73.4	163.9	-176.8	0	0	111.5	R726 T727 I728 N733 Q734	R726-E730 WeakPolarHBondContact CG-OE1 3.34Å; R726-E730 WeakPolarHBondContact O-CG 3.48Å; R726-E730 PolarHBondContact O-N 3.49Å; T727-E730 PolarHBondContact O-N 2.92Å; I728-E730 PolarHBondContact O-N 2.92Å; E730-N733 PolarHBondContact O-N 3.15Å; E730-Q734 WeakPolarHBondContact O-CG 3.27Å; E730-Q734 PolarHBondContact O-N 3.47Å; E730-Q734 PolarHBondContact O-NE2 3.43Å
731	V	85.9	Confident	84.4	Confident	7 Å²	7	33.9 Å²	33.9	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	-41.7	176.5	172.9	0	0	0	0	111.4	L664 L668 L671 T727 I728 Q734 I735	L664-V731 HydrophobicContact CD2-CG1 4.17Å; L668-V731 HydrophobicContact CB-CG1 3.93Å; L668-V731 HydrophobicContact CD1-CG1 4.45Å; L671-V731 HydrophobicContact CD1-CB 4.4Å; L671-V731 HydrophobicContact CD1-CG2 3.83Å; T727-V731 WeakPolarHBondContact O-CG2 3.5Å; T727-V731 PolarHBondContact O-N 3.49Å; T727-V731 VanDerWaalsContact O-N 3.1Å; I728-V731 PolarHBondContact O-N 3.4Å; V731-Q734 PolarHBondContact O-N 2.8Å; V731-I735 HydrophobicContact CG1-CD1 4.14Å; V731-I735 WeakPolarHBondContact O-CG1 3.46Å; V731-I735 PolarHBondContact O-N 3.38Å
732	E	88.1	Confident	83.4	Confident	64 Å²	64	34.6 Å²	34.6	30%	0.299	20%	0.198	S	C	.	.	H	α-helix	trans	-62.5	-41.8	176.5	-73.4	171.3	168.6	0	0	112.3	L668 R672 I728 N729 Q734 I735 L736	L668-E732 HydrophobicContact CD1-CG 3.95Å; L668-E732 HydrophobicContact CD2-CG 4.13Å; R672-E732 IonicContact CZ-OE1 3.72Å; R672-E732 IonicContact NE-OE1 3.41Å; R672-E732 IonicContact NH2-OE1 2.68Å; R672-E732 PolarHBondContact NH2-OE1 2.86Å; R672-E732 IonicContact NH2-OE2 2.87Å; I728-E732 HydrophobicContact CG2-CG 4.4Å; I728-E732 WeakPolarHBondContact CG2-OE1 3.29Å; I728-E732 WeakPolarHBondContact O-CB 3.47Å; I728-E732 WeakPolarHBondContact O-CG 3.49Å; I728-E732 PolarHBondContact O-N 2.78Å; N729-E732 PolarHBondContact O-N 2.8Å; E732-Q734 VanDerWaalsContact C-N 3.35Å; E732-I735 PolarHBondContact O-N 3.46Å; E732-L736 WeakPolarHBondContact O-CB 3.46Å; E732-L736 PolarHBondContact O-N 3.25Å
733	N	82.4	Confident	82.9	Confident	11 Å²	11	34.1 Å²	34.1	6%	0.059	19%	0.194	C	C	.	.	H	α-helix	trans	-66.9	-34	175	-70.3	-33.4	0	0	0	112.3	T340 T343 N729 E730 L736 T737	T340-N733 WeakPolarHBondContact CA-OD1 3.24Å; T340-N733 PolarHBondContact OG1-OD1 3.24Å; T343-N733 HydrophobicContact CG2-CB 4.18Å; N729-N733 WeakPolarHBondContact O-CB 3.41Å; N729-N733 PolarHBondContact O-N 3.26Å; N729-N733 PolarHBondContact O-ND2 3.08Å; N729-N733 PolarHBondContact OD1-ND2 3.47Å; E730-N733 PolarHBondContact O-N 3.15Å; N733-L736 PolarHBondContact O-N 3.43Å; N733-T737 WeakPolarHBondContact O-CB 3.48Å; N733-T737 PolarHBondContact O-N 3.12Å; N733-T737 PolarHBondContact O-OG1 3.12Å
734	Q	81.1	Confident	82.3	Confident	30 Å²	30	35 Å²	35	14%	0.14	20%	0.201	C	C	.	.	H	α-helix	trans	-69.4	-38.8	174.4	-72.8	170.1	42.7	0	0	112.4	L664 E730 V731 E732 T737 R738 M748	L664-Q734 HydrophobicContact CD1-CB 4.42Å; L664-Q734 HydrophobicContact CD2-CB 4.18Å; E730-Q734 WeakPolarHBondContact O-CG 3.27Å; E730-Q734 PolarHBondContact O-N 3.47Å; E730-Q734 PolarHBondContact O-NE2 3.43Å; V731-Q734 PolarHBondContact O-N 2.8Å; E732-Q734 VanDerWaalsContact C-N 3.35Å; Q734-T737 PolarHBondContact O-N 3.4Å; Q734-R738 WeakPolarHBondContact O-CB 3.31Å; Q734-R738 PolarHBondContact O-N 3.39Å; Q734-M748 HydrophobicContact CB-CE 3.95Å; Q734-M748 HydrophobicContact CG-CE 4.43Å
735	I	84.4	Confident	81.5	Confident	28 Å²	28	36.9 Å²	36.9	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-50.2	171.4	-68.2	165.9	0	0	0	109.8	L664 L668 V731 E732 T737 R738 D739	L664-I735 HydrophobicContact CB-CD1 4.04Å; L664-I735 HydrophobicContact CB-CG1 3.54Å; L664-I735 HydrophobicContact CD1-CG1 3.87Å; L664-I735 HydrophobicContact CG-CG1 4.2Å; L668-I735 HydrophobicContact CD2-CD1 3.93Å; V731-I735 HydrophobicContact CG1-CD1 4.14Å; V731-I735 WeakPolarHBondContact O-CG1 3.46Å; V731-I735 PolarHBondContact O-N 3.38Å; E732-I735 PolarHBondContact O-N 3.46Å; I735-T737 VanDerWaalsContact C-N 3.25Å; I735-T737 PolarHBondContact O-N 3.4Å; I735-R738 PolarHBondContact O-N 3.13Å; I735-R738 VanDerWaalsContact O-N 3.15Å; I735-D739 WeakPolarHBondContact O-CB 3.4Å; I735-D739 PolarHBondContact O-N 2.99Å
736	L	83.5	Confident	80.9	Confident	64 Å²	64	44 Å²	44	34%	0.335	24%	0.241	S	C	.	.	H	α-helix	trans	-57	-39.2	178.9	-169.9	106.1	0	0	0	111.9	T343 K344 L347 E732 N733 A740	T343-L736 HydrophobicContact CG2-CD2 3.83Å; K344-L736 HydrophobicContact CG-CD2 4.01Å; L347-L736 HydrophobicContact CD1-CD2 3.6Å; L347-L736 HydrophobicContact CD1-CG 4.23Å; E732-L736 WeakPolarHBondContact O-CB 3.46Å; E732-L736 PolarHBondContact O-N 3.25Å; N733-L736 PolarHBondContact O-N 3.43Å; L736-A740 WeakPolarHBondContact O-CB 3.12Å; L736-A740 PolarHBondContact O-N 3.49Å
737	T	76.8	Confident	80.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-49.4	174.5	-62	0	0	0	0	112.4	L347 N733 Q734 I735 D739 A740 K741 Q810 I813	L347-T737 HydrophobicContact CD2-CG2 4.08Å; N733-T737 WeakPolarHBondContact O-CB 3.48Å; N733-T737 PolarHBondContact O-N 3.12Å; N733-T737 PolarHBondContact O-OG1 3.12Å; Q734-T737 PolarHBondContact O-N 3.4Å; I735-T737 VanDerWaalsContact C-N 3.25Å; I735-T737 PolarHBondContact O-N 3.4Å; T737-D739 VanDerWaalsContact C-N 3.3Å; T737-D739 PolarHBondContact O-N 2.68Å; T737-A740 PolarHBondContact O-N 3.33Å; T737-K741 HydrophobicContact CG2-CG 4.47Å; T737-K741 WeakPolarHBondContact O-CB 3.48Å; T737-K741 WeakPolarHBondContact O-CG 3.41Å; T737-K741 PolarHBondContact O-N 3.03Å; T737-Q810 PolarHBondContact OG1-NE2 3.41Å; T737-Q810 PolarHBondContact OG1-OE1 3.24Å; T737-I813 HydrophobicContact CG2-CG2 3.56Å
738	R	79.2	Confident	80.1	Confident	27 Å²	27	43.7 Å²	43.7	10%	0.102	24%	0.243	C	C	.	.	H	α-helix	trans	-54.3	-49.8	178.4	-178.5	-161.3	66.4	-166.6	-5.2	110.5	E665 Q734 I735 K741 G742 I743 M748	E665-R738 IonicContact OE1-CZ 3.75Å; E665-R738 IonicContact OE1-NH1 2.78Å; E665-R738 PolarHBondContact OE1-NH1 3.29Å; E665-R738 IonicContact OE1-NH2 2.66Å; E665-R738 PolarHBondContact OE1-NH2 2.67Å; E665-R738 IonicContact OE2-NH1 2.66Å; E665-R738 PolarHBondContact OE2-NH1 3.18Å; Q734-R738 WeakPolarHBondContact O-CB 3.31Å; Q734-R738 PolarHBondContact O-N 3.39Å; I735-R738 PolarHBondContact O-N 3.13Å; I735-R738 VanDerWaalsContact O-N 3.15Å; R738-K741 PolarHBondContact O-N 2.99Å; R738-G742 PolarHBondContact O-N 3.23Å; R738-I743 HydrophobicContact CG-CB 4.23Å; R738-I743 WeakPolarHBondContact CG-O 3.47Å; R738-I743 PolarHBondContact O-N 3.01Å; R738-M748 HydrophobicContact CB-CE 4.46Å
739	D	80	Confident	79.5	Confident	100 Å²	100	46.4 Å²	46.4	54%	0.535	26%	0.257	S	S	.	.	H	α-helix	trans	-70.7	-39.5	-175.1	-65.9	-3.4	0	0	0	111.7	I735 T737	I735-D739 WeakPolarHBondContact O-CB 3.4Å; I735-D739 PolarHBondContact O-N 2.99Å; T737-D739 VanDerWaalsContact C-N 3.3Å; T737-D739 PolarHBondContact O-N 2.68Å
740	A	74.1	Confident	79.2	Confident	63 Å²	63	52.1 Å²	52.1	52%	0.521	28%	0.284	S	S	.	.	H	α-helix	trans	-70.3	-29.1	177.4	0	0	0	0	0	113.9	L347 L736 T737	L347-A740 HydrophobicContact CD1-CB 4.05Å; L347-A740 HydrophobicContact CD2-CB 4.47Å; L736-A740 WeakPolarHBondContact O-CB 3.12Å; L736-A740 PolarHBondContact O-N 3.49Å; T737-A740 PolarHBondContact O-N 3.33Å
741	K	73.1	Confident	79.2	Confident	17 Å²	17	49.5 Å²	49.5	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-98.8	-4.1	-179.6	-64.4	-64.1	-172.6	-172.9	0	114	L347 T737 R738 I743 A821	L347-K741 HydrophobicContact CD2-CD 4.46Å; L347-K741 HydrophobicContact CD2-CG 4.13Å; T737-K741 HydrophobicContact CG2-CG 4.47Å; T737-K741 WeakPolarHBondContact O-CB 3.48Å; T737-K741 WeakPolarHBondContact O-CG 3.41Å; T737-K741 PolarHBondContact O-N 3.03Å; R738-K741 PolarHBondContact O-N 2.99Å; K741-I743 VanDerWaalsContact C-N 3.28Å; K741-I743 HydrophobicContact CB-CD1 3.84Å; K741-I743 HydrophobicContact CB-CG1 3.75Å; K741-I743 PolarHBondContact O-N 2.93Å; K741-A821 HydrophobicContact CD-CB 3.81Å
742	G	70.9	Confident	79	Confident	65 Å²	65	50 Å²	50	67%	0.67	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	23.2	-179.2	0	0	0	0	0	114.4	R738	R738-G742 PolarHBondContact O-N 3.23Å
743	I	75.7	Confident	78.7	Confident	13 Å²	13	48.6 Å²	48.6	7%	0.067	27%	0.272	C	S	.	.			trans	-72	130.9	-175.6	-56.9	169	0	0	0	109.1	R738 K741 Q747 M748 F751 I813	R738-I743 HydrophobicContact CG-CB 4.23Å; R738-I743 WeakPolarHBondContact CG-O 3.47Å; R738-I743 PolarHBondContact O-N 3.01Å; K741-I743 VanDerWaalsContact C-N 3.28Å; K741-I743 HydrophobicContact CB-CD1 3.84Å; K741-I743 HydrophobicContact CB-CG1 3.75Å; K741-I743 PolarHBondContact O-N 2.93Å; I743-Q747 HydrophobicContact CG2-CB 3.73Å; I743-M748 HydrophobicContact CG2-CB 4.12Å; I743-F751 HydrophobicContact CG2-CE2 4.24Å; I743-I813 HydrophobicContact CD1-CG2 3.69Å
744	S	76.6	Confident	78.8	Confident	48 Å²	48	49.2 Å²	49.2	34%	0.336	28%	0.277	S	S	.	.			trans	-68.3	152.7	176.7	88.4	0	0	0	0	111.2	E746 Q747 M748	S744-E746 PolarHBondContact O-N 3.33Å; S744-E746 PolarHBondContact OG-N 2.66Å; S744-Q747 PolarHBondContact O-N 3.11Å; S744-Q747 WeakPolarHBondContact OG-CG 3.37Å; S744-Q747 PolarHBondContact OG-N 3.43Å; S744-Q747 VanDerWaalsContact OG-N 3.08Å; S744-M748 WeakPolarHBondContact O-CB 3.42Å; S744-M748 PolarHBondContact O-N 2.78Å
745	Q	74.1	Confident	79.1	Confident	44 Å²	44	47.8 Å²	47.8	21%	0.206	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-29.8	176.7	-170.8	62.1	45.6	0	0	111.9	T663 N749	T663-Q745 HydrophobicContact CG2-CG 4.32Å; Q745-N749 PolarHBondContact NE2-OD1 2.66Å; Q745-N749 WeakPolarHBondContact O-CB 3.45Å; Q745-N749 PolarHBondContact O-N 3.29Å; Q745-N749 PolarHBondContact O-ND2 3.43Å; Q745-N749 PolarHBondContact O-OD1 3.42Å
746	E	77.1	Confident	79	Confident	163 Å²	163	48.2 Å²	48.2	76%	0.762	27%	0.273	S	S	*	.	H	α-helix	trans	-69.2	-47	175.7	-64.5	-179.8	166.3	0	0	111.5	S744 M748 N749 E750	S744-E746 PolarHBondContact O-N 3.33Å; S744-E746 PolarHBondContact OG-N 2.66Å; E746-M748 PolarHBondContact O-N 2.91Å; E746-N749 PolarHBondContact O-N 3.25Å; E746-E750 WeakPolarHBondContact O-CB 3.1Å; E746-E750 PolarHBondContact O-N 3.33Å
747	Q	78.6	Confident	79.1	Confident	91 Å²	91	51.1 Å²	51.1	43%	0.425	29%	0.285	S	S	.	.	H	α-helix	trans	-62.5	-42.3	175.1	-73	174.5	-52.9	0	0	112	I743 S744 N749 E750 F751	I743-Q747 HydrophobicContact CG2-CB 3.73Å; S744-Q747 PolarHBondContact O-N 3.11Å; S744-Q747 WeakPolarHBondContact OG-CG 3.37Å; S744-Q747 PolarHBondContact OG-N 3.43Å; S744-Q747 VanDerWaalsContact OG-N 3.08Å; Q747-N749 VanDerWaalsContact C-N 3.28Å; Q747-N749 PolarHBondContact O-N 3.01Å; Q747-E750 PolarHBondContact O-N 3.03Å; Q747-F751 HydrophobicContact CB-CE2 4.31Å; Q747-F751 VanDerWaalsContact O-CD2 3.25Å; Q747-F751 WeakPolarHBondContact O-CD2 3.41Å; Q747-F751 VanDerWaalsContact O-CG 3.3Å; Q747-F751 WeakPolarHBondContact O-CG 3.48Å; Q747-F751 PolarHBondContact O-N 3.29Å
748	M	79.1	Confident	79.7	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-37.8	176.9	-168.1	64.5	162.5	0	0	111.7	L664 Q734 R738 I743 S744 E746 R752 F809 I813	L664-M748 HydrophobicContact CD1-CE 4.25Å; L664-M748 HydrophobicContact CD1-CG 4.37Å; Q734-M748 HydrophobicContact CB-CE 3.95Å; Q734-M748 HydrophobicContact CG-CE 4.43Å; R738-M748 HydrophobicContact CB-CE 4.46Å; I743-M748 HydrophobicContact CG2-CB 4.12Å; S744-M748 WeakPolarHBondContact O-CB 3.42Å; S744-M748 PolarHBondContact O-N 2.78Å; E746-M748 PolarHBondContact O-N 2.91Å; M748-R752 WeakPolarHBondContact O-CB 3.45Å; M748-R752 PolarHBondContact O-N 2.84Å; M748-R752 VanDerWaalsContact O-N 3.11Å; M748-F809 HydrophobicContact CE-CE1 4.37Å; M748-I813 HydrophobicContact SD-CD1 3.79Å; M748-I813 HydrophobicContact SD-CG1 4.3Å; M748-I813 HydrophobicContact SD-CG2 4.38Å
749	N	78.9	Confident	80	Confident	60 Å²	60	51.9 Å²	51.9	32%	0.321	29%	0.289	S	S	.	.	H	α-helix	trans	-70.5	-38.4	174.8	-71.7	-5.8	0	0	0	112	Q745 E746 Q747 R752 A753	Q745-N749 PolarHBondContact NE2-OD1 2.66Å; Q745-N749 WeakPolarHBondContact O-CB 3.45Å; Q745-N749 PolarHBondContact O-N 3.29Å; Q745-N749 PolarHBondContact O-ND2 3.43Å; Q745-N749 PolarHBondContact O-OD1 3.42Å; E746-N749 PolarHBondContact O-N 3.25Å; Q747-N749 VanDerWaalsContact C-N 3.28Å; Q747-N749 PolarHBondContact O-N 3.01Å; N749-R752 PolarHBondContact O-N 3.42Å; N749-A753 WeakPolarHBondContact O-CB 3.23Å; N749-A753 PolarHBondContact O-N 3.17Å
750	E	80.9	Confident	80.1	Confident	121 Å²	121	56.6 Å²	56.6	57%	0.565	30%	0.3	S	S	*	.	H	α-helix	trans	-65.8	-45.7	176.6	-173.1	170.9	-144.3	0	0	111.8	E746 Q747 R752 A753 S754	E746-E750 WeakPolarHBondContact O-CB 3.1Å; E746-E750 PolarHBondContact O-N 3.33Å; Q747-E750 PolarHBondContact O-N 3.03Å; E750-R752 PolarHBondContact O-N 2.9Å; E750-A753 WeakPolarHBondContact O-CB 3.38Å; E750-A753 PolarHBondContact O-N 3.13Å; E750-S754 PolarHBondContact O-N 3.09Å; E750-S754 PolarHBondContact O-OG 3.49Å
751	F	83.9	Confident	80.4	Confident	22 Å²	22	59 Å²	59	10%	0.096	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-44.7	172.9	-64.7	-35.5	0	0	0	111.8	I743 Q747 A753 S754 F755 F812 I813 M816	I743-F751 HydrophobicContact CG2-CE2 4.24Å; Q747-F751 HydrophobicContact CB-CE2 4.31Å; Q747-F751 VanDerWaalsContact O-CD2 3.25Å; Q747-F751 WeakPolarHBondContact O-CD2 3.41Å; Q747-F751 VanDerWaalsContact O-CG 3.3Å; Q747-F751 WeakPolarHBondContact O-CG 3.48Å; Q747-F751 PolarHBondContact O-N 3.29Å; F751-A753 VanDerWaalsContact C-N 3.35Å; F751-A753 PolarHBondContact O-N 3.06Å; F751-S754 PolarHBondContact O-N 2.88Å; F751-F755 WeakPolarHBondContact O-CB 3.44Å; F751-F755 PolarHBondContact O-N 3.44Å; F751-F812 HydrophobicContact CB-CE1 3.84Å; F751-F812 HydrophobicContact CB-CZ 4.26Å; F751-F812 HydrophobicContact CD1-CZ 4.29Å; F751-F812 WeakPolarHBondContact O-CE1 3.44Å; F751-I813 HydrophobicContact CB-CD1 3.4Å; F751-I813 HydrophobicContact CD2-CD1 3.51Å; F751-I813 HydrophobicContact CG-CD1 3.8Å; F751-M816 HydrophobicContact CD1-CB 4.35Å; F751-M816 HydrophobicContact CD1-CE 4.26Å; F751-M816 HydrophobicContact CD1-CG 4.28Å; F751-M816 HydrophobicContact CE1-CB 3.86Å; F751-M816 HydrophobicContact CE1-CE 3.63Å; F751-M816 HydrophobicContact CE1-CG 4.12Å; F751-M816 HydrophobicContact CE2-CB 4.14Å; F751-M816 HydrophobicContact CZ-CB 3.74Å; F751-M816 HydrophobicContact CZ-CE 4.4Å; F751-M816 HydrophobicContact CZ-CG 4.48Å
752	R	80.8	Confident	80.4	Confident	17 Å²	17	63.2 Å²	63.2	6%	0.064	32%	0.324	C	S	.	.	H	α-helix	trans	-64.8	-37.6	176.1	-164.5	175.7	-65.8	114.6	1.6	112.4	M748 N749 E750 F755 N756 F809	M748-R752 WeakPolarHBondContact O-CB 3.45Å; M748-R752 PolarHBondContact O-N 2.84Å; M748-R752 VanDerWaalsContact O-N 3.11Å; N749-R752 PolarHBondContact O-N 3.42Å; E750-R752 PolarHBondContact O-N 2.9Å; R752-F755 PolarHBondContact O-N 3.49Å; R752-N756 WeakPolarHBondContact O-CB 3.31Å; R752-N756 PolarHBondContact O-N 2.7Å; R752-N756 PolarHBondContact O-OD1 3.17Å; R752-F809 HydrophobicContact CB-CE2 3.95Å; R752-F809 HydrophobicContact CB-CZ 3.65Å; R752-F809 HydrophobicContact CG-CE1 4.46Å; R752-F809 HydrophobicContact CG-CE2 4.21Å; R752-F809 HydrophobicContact CG-CZ 3.97Å
753	A	82.5	Confident	80.7	Confident	35 Å²	35	63 Å²	63	29%	0.289	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-47.2	175.4	0	0	0	0	0	111.6	M660 N749 E750 F751 H757	M660-A753 HydrophobicContact CE-CB 3.43Å; M660-A753 VanDerWaalsContact CE-CB 3.43Å; M660-A753 HydrophobicContact SD-CB 4.37Å; N749-A753 WeakPolarHBondContact O-CB 3.23Å; N749-A753 PolarHBondContact O-N 3.17Å; E750-A753 WeakPolarHBondContact O-CB 3.38Å; E750-A753 PolarHBondContact O-N 3.13Å; F751-A753 VanDerWaalsContact C-N 3.35Å; F751-A753 PolarHBondContact O-N 3.06Å; A753-H757 WeakPolarHBondContact O-CB 3.35Å; A753-H757 PolarHBondContact O-N 2.81Å; A753-H757 VanDerWaalsContact O-N 3.14Å
754	S	84.7	Confident	80.8	Confident	24 Å²	24	64.2 Å²	64.2	17%	0.168	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-46	177.1	-66.7	0	0	0	0	111.8	E750 F751 N756 H757 F758 L778	E750-S754 PolarHBondContact O-N 3.09Å; E750-S754 PolarHBondContact O-OG 3.49Å; F751-S754 PolarHBondContact O-N 2.88Å; S754-N756 PolarHBondContact O-N 3.48Å; S754-H757 WeakPolarHBondContact O-CB 3.36Å; S754-H757 PolarHBondContact O-N 2.83Å; S754-F758 VanDerWaalsContact O-CD2 3.26Å; S754-F758 WeakPolarHBondContact O-CD2 3.38Å; S754-L778 WeakPolarHBondContact OG-CD2 3.49Å
755	F	86.2	Confident	81.2	Confident	1 Å²	1	63.6 Å²	63.6	0%	0.004	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-51.3	178.8	-170	-85.6	0	0	0	111.7	F751 R752 H757 F758 D759 L766 F809 F812	F751-F755 WeakPolarHBondContact O-CB 3.44Å; F751-F755 PolarHBondContact O-N 3.44Å; R752-F755 PolarHBondContact O-N 3.49Å; F755-H757 PolarHBondContact O-N 3.38Å; F755-H757 VanDerWaalsContact O-N 3.16Å; F755-F758 PolarHBondContact O-N 2.94Å; F755-D759 HydrophobicContact CD1-CB 4.22Å; F755-D759 HydrophobicContact CE1-CB 4.13Å; F755-D759 PolarHBondContact O-N 2.66Å; F755-L766 HydrophobicContact CD2-CD1 3.46Å; F755-L766 VanDerWaalsContact CD2-CD1 3.46Å; F755-L766 HydrophobicContact CD2-CG 3.89Å; F755-L766 HydrophobicContact CE1-CG 4.2Å; F755-L766 HydrophobicContact CE2-CB 4.36Å; F755-L766 HydrophobicContact CE2-CD1 3.53Å; F755-L766 HydrophobicContact CE2-CG 3.51Å; F755-L766 HydrophobicContact CG-CD1 4.11Å; F755-L766 HydrophobicContact CG-CG 4.41Å; F755-L766 HydrophobicContact CZ-CD1 4.21Å; F755-L766 HydrophobicContact CZ-CD2 4.5Å; F755-L766 HydrophobicContact CZ-CG 3.68Å; F755-F809 HydrophobicContact CB-CD2 3.66Å; F755-F809 HydrophobicContact CB-CE2 3.96Å; F755-F809 HydrophobicContact CD1-CB 4.14Å; F755-F809 AromaticContact CD1-CD2 3.92Å; F755-F809 HydrophobicContact CD1-CD2 3.92Å; F755-F809 HydrophobicContact CD1-CG 4.42Å; F755-F809 HydrophobicContact CD2-CB 4.34Å; F755-F809 AromaticContact CD2-CD2 3.81Å; F755-F809 HydrophobicContact CD2-CD2 3.81Å; F755-F809 HydrophobicContact CE1-CB 3.9Å; F755-F809 VanDerWaalsContact CE2-CA 3.44Å; F755-F809 HydrophobicContact CE2-CB 4.09Å; F755-F809 HydrophobicContact CE2-CD2 4.4Å; F755-F809 HydrophobicContact CG-CB 4.35Å; F755-F809 AromaticContact CG-CD2 3.53Å; F755-F809 HydrophobicContact CG-CD2 3.53Å; F755-F809 HydrophobicContact CG-CE2 4.33Å; F755-F809 HydrophobicContact CG-CG 4.39Å; F755-F809 HydrophobicContact CZ-CB 3.86Å; F755-F809 VanDerWaalsContact CZ-N 3.27Å; F755-F812 HydrophobicContact CB-CD1 4.16Å; F755-F812 HydrophobicContact CB-CE1 4.05Å; F755-F812 HydrophobicContact CD2-CB 4.11Å; F755-F812 AromaticContact CD2-CD1 3.62Å; F755-F812 HydrophobicContact CD2-CD1 3.62Å; F755-F812 HydrophobicContact CD2-CE1 4.28Å; F755-F812 HydrophobicContact CD2-CG 4.02Å; F755-F812 HydrophobicContact CE2-CB 4.19Å; F755-F812 HydrophobicContact CE2-CD1 4.48Å; F755-F812 HydrophobicContact CG-CD1 4.3Å
756	N	82.5	Confident	81.9	Confident	36 Å²	36	61.5 Å²	61.5	19%	0.193	31%	0.311	C	S	.	.	H	α-helix	trans	-66.4	-16.7	179.8	-68.3	16	0	0	0	113.3	I658 R752 S754	I658-N756 PolarHBondContact O-ND2 3.2Å; R752-N756 WeakPolarHBondContact O-CB 3.31Å; R752-N756 PolarHBondContact O-N 2.7Å; R752-N756 PolarHBondContact O-OD1 3.17Å; S754-N756 PolarHBondContact O-N 3.48Å
757	H	85.8	Confident	82.4	Confident	125 Å²	125	54.5 Å²	54.5	58%	0.579	28%	0.283	S	S	*	.	H	α-helix	trans	-72.7	-31	172.6	-173.9	76.8	0	0	0	112.7	A753 S754 F755	A753-H757 WeakPolarHBondContact O-CB 3.35Å; A753-H757 PolarHBondContact O-N 2.81Å; A753-H757 VanDerWaalsContact O-N 3.14Å; S754-H757 WeakPolarHBondContact O-CB 3.36Å; S754-H757 PolarHBondContact O-N 2.83Å; F755-H757 PolarHBondContact O-N 3.38Å; F755-H757 VanDerWaalsContact O-N 3.16Å
758	F	88.3	Confident	82.9	Confident	37 Å²	37	52.9 Å²	52.9	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-96.4	-27.8	178.6	-67.3	-81.8	0	0	0	112.7	S754 F755 R760 L766 E770 A773 C774 S777	S754-F758 VanDerWaalsContact O-CD2 3.26Å; S754-F758 WeakPolarHBondContact O-CD2 3.38Å; F755-F758 PolarHBondContact O-N 2.94Å; F758-R760 VanDerWaalsContact C-N 3.27Å; F758-R760 PolarHBondContact O-N 2.68Å; F758-L766 VanDerWaalsContact C-CD2 3.47Å; F758-L766 HydrophobicContact CB-CD1 4.42Å; F758-L766 HydrophobicContact CB-CD2 3.75Å; F758-E770 HydrophobicContact CB-CB 4.38Å; F758-A773 HydrophobicContact CD1-CB 3.78Å; F758-A773 HydrophobicContact CE1-CB 3.51Å; F758-A773 HydrophobicContact CZ-CB 4.33Å; F758-C774 HydrophobicContact CB-CB 4.35Å; F758-C774 HydrophobicContact CD2-CB 3.56Å; F758-C774 HydrophobicContact CE2-CB 4.08Å; F758-C774 HydrophobicContact CG-CB 3.97Å; F758-S777 WeakPolarHBondContact CE2-OG 3.18Å
759	D	86	Confident	83.3	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.032	31%	0.312	C	S	.	.			trans	-74.7	76.8	171.6	-178.1	3.4	0	0	0	110.6	F755 D761 H762 S763 G764 L766	F755-D759 HydrophobicContact CD1-CB 4.22Å; F755-D759 HydrophobicContact CE1-CB 4.13Å; F755-D759 PolarHBondContact O-N 2.66Å; D759-D761 VanDerWaalsContact OD1-OD1 3.08Å; D759-H762 PolarHBondContact O-CE1 2.72Å; D759-H762 PolarHBondContact O-ND1 3.12Å; D759-H762 WeakPolarHBondContact OD1-CA 3.31Å; D759-H762 PolarHBondContact OD1-N 3.32Å; D759-S763 PolarHBondContact OD1-N 3.48Å; D759-S763 PolarHBondContact OD1-OG 3.36Å; D759-G764 VanDerWaalsContact OD2-CA 3.26Å; D759-G764 WeakPolarHBondContact OD2-CA 3.35Å; D759-G764 PolarHBondContact OD2-N 3.22Å; D759-L766 HydrophobicContact CB-CD2 3.78Å; D759-L766 VanDerWaalsContact N-CD2 3.26Å
760	R	81.5	Confident	83.9	Confident	200 Å²	200	60.1 Å²	60.1	76%	0.755	31%	0.312	S	S	*	.	S	Bend	trans	-79.3	-21	-174.8	-71	-175.1	177.3	-175.9	2.5	114.4	F758	F758-R760 VanDerWaalsContact C-N 3.27Å; F758-R760 PolarHBondContact O-N 2.68Å
761	D	80.6	Confident	84.3	Confident	114 Å²	114	54.3 Å²	54.3	61%	0.61	29%	0.285	S	S	*	.	S	Bend	trans	-92.6	-6.5	174.7	70.9	-7.8	0	0	0	112.6	D759 S763	D759-D761 VanDerWaalsContact OD1-OD1 3.08Å; D761-S763 PolarHBondContact O-N 3.04Å; D761-S763 WeakPolarHBondContact OD1-CB 3.25Å; D761-S763 PolarHBondContact OD1-N 3.29Å; D761-S763 VanDerWaalsContact OD1-N 3.13Å; D761-S763 PolarHBondContact OD1-OG 3.04Å
762	H	74.8	Confident	84.5	Confident	105 Å²	105	53.8 Å²	53.8	49%	0.486	28%	0.283	S	S	.	.			trans	58.9	38.1	-178.2	-54.4	-33.6	0	0	0	111.8	I658 D759 G764	I658-H762 HydrophobicContact CD1-CB 3.97Å; I658-H762 HydrophobicContact CG1-CB 4.48Å; D759-H762 PolarHBondContact O-CE1 2.72Å; D759-H762 PolarHBondContact O-ND1 3.12Å; D759-H762 WeakPolarHBondContact OD1-CA 3.31Å; D759-H762 PolarHBondContact OD1-N 3.32Å; H762-G764 VanDerWaalsContact C-N 3.26Å; H762-G764 PolarHBondContact O-N 2.8Å
763	S	77.2	Confident	84.9	Confident	61 Å²	61	54.8 Å²	54.8	43%	0.427	29%	0.294	S	S	.	.			trans	-74.1	-14.7	176.4	59	0	0	0	0	113.2	D759 D761 T765	D759-S763 PolarHBondContact OD1-N 3.48Å; D759-S763 PolarHBondContact OD1-OG 3.36Å; D761-S763 PolarHBondContact O-N 3.04Å; D761-S763 WeakPolarHBondContact OD1-CB 3.25Å; D761-S763 PolarHBondContact OD1-N 3.29Å; D761-S763 VanDerWaalsContact OD1-N 3.13Å; D761-S763 PolarHBondContact OD1-OG 3.04Å; S763-T765 PolarHBondContact OG-N 3.24Å; S763-T765 PolarHBondContact OG-O 2.95Å; S763-T765 PolarHBondContact OG-OG1 3.42Å
764	G	77	Confident	85.2	Confident	37 Å²	37	53.1 Å²	53.1	38%	0.381	28%	0.281	S	S	.	.	S	Bend	trans	77.3	8.5	-170.4	0	0	0	0	0	113.2	D759 H762	D759-G764 VanDerWaalsContact OD2-CA 3.26Å; D759-G764 WeakPolarHBondContact OD2-CA 3.35Å; D759-G764 PolarHBondContact OD2-N 3.22Å; H762-G764 VanDerWaalsContact C-N 3.26Å; H762-G764 PolarHBondContact O-N 2.8Å
765	T	84.7	Confident	85.3	Confident	35 Å²	35	52 Å²	52	22%	0.215	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.3	-177.1	58.5	0	0	0	0	111.9	S763 V806 V807 T808	S763-T765 PolarHBondContact OG-N 3.24Å; S763-T765 PolarHBondContact OG-O 2.95Å; S763-T765 PolarHBondContact OG-OG1 3.42Å; T765-V806 HydrophobicContact CG2-CB 4.36Å; T765-V807 CarbonylContact C-O 3.59Å; T765-V807 WeakPolarHBondContact CA-O 3.2Å; T765-T808 HydrophobicContact CG2-CG2 4.14Å
766	L	88.3	Confident	85.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.3	171.3	-63	177.6	0	0	0	110.4	F755 F758 D759 E770 F771 C774 V807	F755-L766 HydrophobicContact CD2-CD1 3.46Å; F755-L766 VanDerWaalsContact CD2-CD1 3.46Å; F755-L766 HydrophobicContact CD2-CG 3.89Å; F755-L766 HydrophobicContact CE1-CG 4.2Å; F755-L766 HydrophobicContact CE2-CB 4.36Å; F755-L766 HydrophobicContact CE2-CD1 3.53Å; F755-L766 HydrophobicContact CE2-CG 3.51Å; F755-L766 HydrophobicContact CG-CD1 4.11Å; F755-L766 HydrophobicContact CG-CG 4.41Å; F755-L766 HydrophobicContact CZ-CD1 4.21Å; F755-L766 HydrophobicContact CZ-CD2 4.5Å; F755-L766 HydrophobicContact CZ-CG 3.68Å; F758-L766 VanDerWaalsContact C-CD2 3.47Å; F758-L766 HydrophobicContact CB-CD1 4.42Å; F758-L766 HydrophobicContact CB-CD2 3.75Å; D759-L766 HydrophobicContact CB-CD2 3.78Å; D759-L766 VanDerWaalsContact N-CD2 3.26Å; L766-E770 HydrophobicContact CB-CB 4.21Å; L766-E770 HydrophobicContact CD2-CB 4.03Å; L766-F771 HydrophobicContact CB-CB 3.99Å; L766-F771 HydrophobicContact CD1-CB 4.47Å; L766-F771 HydrophobicContact CD1-CD2 4.2Å; L766-C774 HydrophobicContact CD1-CB 4.05Å; L766-V807 PolarHBondContact N-O 3.22Å; L766-V807 PolarHBondContact O-N 2.86Å
767	G	88.3	Confident	85.3	Confident	16 Å²	16	57.4 Å²	57.4	17%	0.165	31%	0.306	C	S	.	.			trans	-68.5	169.6	165.1	0	0	0	0	0	111.9	E769 E770 F771	G767-E769 PolarHBondContact O-N 3.28Å; G767-E770 PolarHBondContact N-OE2 3.18Å; G767-E770 PolarHBondContact O-N 3.43Å; G767-F771 WeakPolarHBondContact O-CB 3.37Å; G767-F771 PolarHBondContact O-N 3.49Å
768	P	88.3	Confident	85	Confident	57 Å²	57	53.7 Å²	53.7	37%	0.37	29%	0.291	S	S	.	.	H	α-helix	trans	-58.2	-43.6	-174.2	-27	36.8	0	0	0	113.8	K772 F792 M796 G805	P768-K772 WeakPolarHBondContact O-CB 3.31Å; P768-K772 PolarHBondContact O-N 3.12Å; P768-F792 HydrophobicContact CB-CE1 4.22Å; P768-F792 HydrophobicContact CB-CZ 4.44Å; P768-F792 WeakPolarHBondContact O-CZ 3.32Å; P768-M796 HydrophobicContact CB-CE 3.88Å; P768-M796 HydrophobicContact CG-CE 4.17Å; P768-G805 WeakPolarHBondContact CD-O 3.48Å
769	E	87.6	Confident	84.4	Confident	143 Å²	143	55 Å²	55	67%	0.668	31%	0.314	S	S	*	.	H	α-helix	trans	-67.3	-38.9	179	-64.1	-61	149.8	0	0	112.5	G767 K772 A773	G767-E769 PolarHBondContact O-N 3.28Å; E769-K772 PolarHBondContact O-N 3.04Å; E769-A773 WeakPolarHBondContact O-CB 3.39Å; E769-A773 PolarHBondContact O-N 3Å
770	E	91	Very high	84	Confident	70 Å²	70	58.8 Å²	58.8	33%	0.327	33%	0.329	S	S	.	.	H	α-helix	trans	-70.3	-40.2	179.6	-62.3	167.6	144.8	0	0	110.7	F758 L766 G767 A773 C774	F758-E770 HydrophobicContact CB-CB 4.38Å; L766-E770 HydrophobicContact CB-CB 4.21Å; L766-E770 HydrophobicContact CD2-CB 4.03Å; G767-E770 PolarHBondContact N-OE2 3.18Å; G767-E770 PolarHBondContact O-N 3.43Å; E770-A773 PolarHBondContact O-N 2.99Å; E770-C774 WeakPolarHBondContact O-CB 3.42Å; E770-C774 PolarHBondContact O-N 2.75Å
771	F	90.2	Very high	83.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65.6	-43.3	173.8	-175.9	-119.6	0	0	0	112	L766 G767 A773 C774 L775 F792 I795 M796 V799 V807 F812	L766-F771 HydrophobicContact CB-CB 3.99Å; L766-F771 HydrophobicContact CD1-CB 4.47Å; L766-F771 HydrophobicContact CD1-CD2 4.2Å; G767-F771 WeakPolarHBondContact O-CB 3.37Å; G767-F771 PolarHBondContact O-N 3.49Å; F771-A773 VanDerWaalsContact C-N 3.33Å; F771-A773 PolarHBondContact O-N 2.93Å; F771-C774 WeakPolarHBondContact O-CB 3.31Å; F771-C774 PolarHBondContact O-N 3.27Å; F771-L775 HydrophobicContact CD1-CD1 4.16Å; F771-L775 HydrophobicContact CE1-CD1 3.7Å; F771-L775 HydrophobicContact CE1-CG 4.39Å; F771-L775 HydrophobicContact CE2-CD1 4.42Å; F771-L775 HydrophobicContact CE2-CD2 4.36Å; F771-L775 HydrophobicContact CE2-CG 4.26Å; F771-L775 HydrophobicContact CZ-CD1 3.84Å; F771-L775 HydrophobicContact CZ-CD2 4.21Å; F771-L775 HydrophobicContact CZ-CG 4.12Å; F771-L775 WeakPolarHBondContact O-CG 3.46Å; F771-L775 PolarHBondContact O-N 2.9Å; F771-F792 AromaticContact CD1-CE2 3.64Å; F771-F792 HydrophobicContact CD1-CE2 3.64Å; F771-F792 AromaticContact CD1-CZ 3.94Å; F771-F792 HydrophobicContact CD1-CZ 3.94Å; F771-F792 HydrophobicContact CE1-CE2 4.17Å; F771-I795 HydrophobicContact CE1-CG2 3.89Å; F771-I795 HydrophobicContact CZ-CG2 4.29Å; F771-M796 HydrophobicContact CD1-CE 3.92Å; F771-V799 HydrophobicContact CD1-CG2 4.41Å; F771-V799 HydrophobicContact CE1-CG1 4.48Å; F771-V799 HydrophobicContact CE1-CG2 3.66Å; F771-V799 HydrophobicContact CZ-CG1 4.04Å; F771-V799 HydrophobicContact CZ-CG2 3.98Å; F771-V807 HydrophobicContact CB-CG2 4.27Å; F771-V807 HydrophobicContact CD1-CG2 3.8Å; F771-V807 HydrophobicContact CD2-CB 4.12Å; F771-V807 HydrophobicContact CD2-CG1 3.9Å; F771-V807 HydrophobicContact CD2-CG2 4.23Å; F771-V807 HydrophobicContact CE1-CG2 4.18Å; F771-V807 HydrophobicContact CE2-CB 4.48Å; F771-V807 HydrophobicContact CE2-CG1 3.79Å; F771-V807 HydrophobicContact CG-CB 4.17Å; F771-V807 HydrophobicContact CG-CG1 4.36Å; F771-V807 HydrophobicContact CG-CG2 3.83Å; F771-V807 HydrophobicContact CZ-CG1 4.16Å; F771-F812 HydrophobicContact CE2-CB 4.21Å; F771-F812 AromaticContact CE2-CD2 3.84Å; F771-F812 HydrophobicContact CE2-CD2 3.84Å; F771-F812 HydrophobicContact CE2-CG 4.41Å
772	K	88.6	Confident	83.6	Confident	11 Å²	11	52.2 Å²	52.2	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-44.8	173.3	-168	177.7	179.2	-172	0	111.2	P768 E769 L775 I776 I782 N784 E789 F792	P768-K772 WeakPolarHBondContact O-CB 3.31Å; P768-K772 PolarHBondContact O-N 3.12Å; E769-K772 PolarHBondContact O-N 3.04Å; K772-L775 PolarHBondContact O-N 3.35Å; K772-I776 HydrophobicContact CG-CD1 4.28Å; K772-I776 VanDerWaalsContact O-CG1 3.31Å; K772-I776 WeakPolarHBondContact O-CG1 3.48Å; K772-I776 PolarHBondContact O-N 3.46Å; K772-I776 VanDerWaalsContact O-N 3.12Å; K772-I782 HydrophobicContact CD-CG2 4.49Å; K772-I782 HydrophobicContact CG-CG2 4.22Å; K772-N784 PolarHBondContact NZ-OD1 2.92Å; K772-E789 IonicContact NZ-OE1 3.58Å; K772-E789 PolarHBondContact NZ-OE1 3.45Å; K772-F792 HydrophobicContact CB-CD2 4.07Å; K772-F792 HydrophobicContact CB-CE1 4.16Å; K772-F792 HydrophobicContact CB-CE2 3.64Å; K772-F792 HydrophobicContact CB-CZ 3.71Å; K772-F792 HydrophobicContact CD-CD1 4.18Å; K772-F792 HydrophobicContact CD-CE1 4.44Å; K772-F792 HydrophobicContact CD-CG 4.24Å; K772-F792 HydrophobicContact CG-CD1 4.46Å; K772-F792 HydrophobicContact CG-CD2 4Å; K772-F792 HydrophobicContact CG-CE2 4.1Å; K772-F792 HydrophobicContact CG-CG 4.19Å; K772-F792 HydrophobicContact CG-CZ 4.4Å
773	A	88.4	Confident	83.4	Confident	37 Å²	37	48.4 Å²	48.4	31%	0.306	30%	0.297	S	S	.	.	H	α-helix	trans	-66.2	-37.8	176.6	0	0	0	0	0	112.9	F758 E769 E770 F771 I776 S777	F758-A773 HydrophobicContact CD1-CB 3.78Å; F758-A773 HydrophobicContact CE1-CB 3.51Å; F758-A773 HydrophobicContact CZ-CB 4.33Å; E769-A773 WeakPolarHBondContact O-CB 3.39Å; E769-A773 PolarHBondContact O-N 3Å; E770-A773 PolarHBondContact O-N 2.99Å; F771-A773 VanDerWaalsContact C-N 3.33Å; F771-A773 PolarHBondContact O-N 2.93Å; A773-I776 PolarHBondContact O-N 3.35Å; A773-S777 PolarHBondContact O-N 3.1Å
774	C	89.1	Confident	83.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-48.8	174.8	-170.2	0	0	0	0	111.6	F758 L766 E770 F771 I776 S777 L778	F758-C774 HydrophobicContact CB-CB 4.35Å; F758-C774 HydrophobicContact CD2-CB 3.56Å; F758-C774 HydrophobicContact CE2-CB 4.08Å; F758-C774 HydrophobicContact CG-CB 3.97Å; L766-C774 HydrophobicContact CD1-CB 4.05Å; E770-C774 WeakPolarHBondContact O-CB 3.42Å; E770-C774 PolarHBondContact O-N 2.75Å; F771-C774 WeakPolarHBondContact O-CB 3.31Å; F771-C774 PolarHBondContact O-N 3.27Å; C774-I776 PolarHBondContact O-N 2.6Å; C774-S777 WeakPolarHBondContact O-CB 3.37Å; C774-S777 PolarHBondContact O-N 2.88Å; C774-S777 VanDerWaalsContact O-N 3.13Å; C774-S777 PolarHBondContact O-OG 2.94Å; C774-L778 PolarHBondContact O-N 3.41Å; C774-L778 VanDerWaalsContact O-N 3.12Å
775	L	86.2	Confident	83.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.1	-45.5	175.9	-70.7	176.2	0	0	0	112.1	F771 K772 S777 L778 G779 Y780 I782 F792 I795 F815 M816	F771-L775 HydrophobicContact CD1-CD1 4.16Å; F771-L775 HydrophobicContact CE1-CD1 3.7Å; F771-L775 HydrophobicContact CE1-CG 4.39Å; F771-L775 HydrophobicContact CE2-CD1 4.42Å; F771-L775 HydrophobicContact CE2-CD2 4.36Å; F771-L775 HydrophobicContact CE2-CG 4.26Å; F771-L775 HydrophobicContact CZ-CD1 3.84Å; F771-L775 HydrophobicContact CZ-CD2 4.21Å; F771-L775 HydrophobicContact CZ-CG 4.12Å; F771-L775 WeakPolarHBondContact O-CG 3.46Å; F771-L775 PolarHBondContact O-N 2.9Å; K772-L775 PolarHBondContact O-N 3.35Å; L775-S777 VanDerWaalsContact C-N 3.31Å; L775-S777 PolarHBondContact O-N 2.87Å; L775-L778 CarbonylContact O-C 3.59Å; L775-L778 PolarHBondContact O-N 2.88Å; L775-L778 VanDerWaalsContact O-N 3.15Å; L775-G779 PolarHBondContact O-N 3.28Å; L775-Y780 HydrophobicContact CD2-CD2 4.14Å; L775-Y780 HydrophobicContact CD2-CE2 4.47Å; L775-Y780 HydrophobicContact CD2-CG 4.48Å; L775-Y780 WeakPolarHBondContact O-CB 3.32Å; L775-Y780 PolarHBondContact O-N 2.96Å; L775-I782 HydrophobicContact CB-CD1 3.84Å; L775-I782 HydrophobicContact CD1-CD1 3.71Å; L775-I782 HydrophobicContact CG-CD1 4.45Å; L775-F792 HydrophobicContact CD1-CD2 4.32Å; L775-F792 HydrophobicContact CD1-CE2 4.18Å; L775-I795 HydrophobicContact CD1-CD1 4.36Å; L775-I795 HydrophobicContact CD1-CG2 4.03Å; L775-F815 HydrophobicContact CD2-CD1 4.1Å; L775-F815 HydrophobicContact CD2-CE1 3.69Å; L775-M816 HydrophobicContact CD2-SD 4.22Å
776	I	85.7	Confident	83.3	Confident	84 Å²	84	58.4 Å²	58.4	43%	0.431	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-39	176.7	-67.4	165.2	0	0	0	111.3	K772 A773 C774 L778 G779 Y780 I782	K772-I776 HydrophobicContact CG-CD1 4.28Å; K772-I776 VanDerWaalsContact O-CG1 3.31Å; K772-I776 WeakPolarHBondContact O-CG1 3.48Å; K772-I776 PolarHBondContact O-N 3.46Å; K772-I776 VanDerWaalsContact O-N 3.12Å; A773-I776 PolarHBondContact O-N 3.35Å; C774-I776 PolarHBondContact O-N 2.6Å; I776-L778 VanDerWaalsContact C-N 3.28Å; I776-L778 PolarHBondContact O-N 3.33Å; I776-G779 PolarHBondContact O-N 3.14Å; I776-G779 VanDerWaalsContact O-N 3.15Å; I776-Y780 WeakPolarHBondContact CA-O 3.4Å; I776-I782 HydrophobicContact CD1-CB 4.36Å; I776-I782 HydrophobicContact CG1-CB 4.11Å
777	S	84.1	Confident	82.8	Confident	67 Å²	67	65.6 Å²	65.6	47%	0.469	38%	0.376	S	S	.	.	H	α-helix	trans	-65.8	-29.6	177	81.1	0	0	0	0	113.8	F758 A773 C774 L775 G779	F758-S777 WeakPolarHBondContact CE2-OG 3.18Å; A773-S777 PolarHBondContact O-N 3.1Å; C774-S777 WeakPolarHBondContact O-CB 3.37Å; C774-S777 PolarHBondContact O-N 2.88Å; C774-S777 VanDerWaalsContact O-N 3.13Å; C774-S777 PolarHBondContact O-OG 2.94Å; L775-S777 VanDerWaalsContact C-N 3.31Å; L775-S777 PolarHBondContact O-N 2.87Å; S777-G779 VanDerWaalsContact C-N 3.29Å
778	L	79.9	Confident	82.5	Confident	48 Å²	48	65.1 Å²	65.1	25%	0.251	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-0.3	176.8	-70.3	160.1	0	0	0	112.8	S754 C774 L775 I776 F812 M816	S754-L778 WeakPolarHBondContact OG-CD2 3.49Å; C774-L778 PolarHBondContact O-N 3.41Å; C774-L778 VanDerWaalsContact O-N 3.12Å; L775-L778 CarbonylContact O-C 3.59Å; L775-L778 PolarHBondContact O-N 2.88Å; L775-L778 VanDerWaalsContact O-N 3.15Å; I776-L778 VanDerWaalsContact C-N 3.28Å; I776-L778 PolarHBondContact O-N 3.33Å; L778-F812 HydrophobicContact CD1-CE2 3.65Å; L778-F812 HydrophobicContact CD1-CZ 3.53Å; L778-M816 HydrophobicContact CB-CE 4.36Å; L778-M816 HydrophobicContact CD1-CE 4.1Å; L778-M816 HydrophobicContact CD1-SD 4.41Å
779	G	75.6	Confident	82.3	Confident	64 Å²	64	67 Å²	67	66%	0.66	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.3	9.1	175	0	0	0	0	0	116	L775 I776 S777 D781	L775-G779 PolarHBondContact O-N 3.28Å; I776-G779 PolarHBondContact O-N 3.14Å; I776-G779 VanDerWaalsContact O-N 3.15Å; S777-G779 VanDerWaalsContact C-N 3.29Å; G779-D781 PolarHBondContact O-N 3.36Å
780	Y	77.3	Confident	82.1	Confident	86 Å²	86	63.1 Å²	63.1	34%	0.337	37%	0.367	S	S	.	.			trans	-74.3	120.1	169.9	-84	-97.9	0	0	0	110.7	L775 I776 I782 F815 M816	L775-Y780 HydrophobicContact CD2-CD2 4.14Å; L775-Y780 HydrophobicContact CD2-CE2 4.47Å; L775-Y780 HydrophobicContact CD2-CG 4.48Å; L775-Y780 WeakPolarHBondContact O-CB 3.32Å; L775-Y780 PolarHBondContact O-N 2.96Å; I776-Y780 WeakPolarHBondContact CA-O 3.4Å; Y780-I782 VanDerWaalsContact C-N 3.31Å; Y780-I782 PolarHBondContact O-N 3.18Å; Y780-F815 HydrophobicContact CE1-CE1 4.11Å; Y780-F815 HydrophobicContact CE1-CZ 4Å; Y780-F815 HydrophobicContact CE2-CE1 4.23Å; Y780-F815 AromaticContact CZ-CE1 3.81Å; Y780-M816 HydrophobicContact CE2-CE 4.01Å; Y780-M816 HydrophobicContact CE2-SD 3.9Å
781	D	73.5	Confident	81.7	Confident	165 Å²	165	63.5 Å²	63.5	88%	0.882	37%	0.369	S	S	*	.			trans	-81.1	73	-176.1	-158.3	2.8	0	0	0	111.9	G779 G783	G779-D781 PolarHBondContact O-N 3.36Å; D781-G783 PolarHBondContact O-N 3.05Å
782	I	79.3	Confident	81.6	Confident	10 Å²	10	64.3 Å²	64.3	5%	0.051	37%	0.373	C	S	.	.			trans	-91.2	92.9	179.2	-53.3	-178	0	0	0	109.3	K772 L775 I776 Y780 G788 F792 I795	K772-I782 HydrophobicContact CD-CG2 4.49Å; K772-I782 HydrophobicContact CG-CG2 4.22Å; L775-I782 HydrophobicContact CB-CD1 3.84Å; L775-I782 HydrophobicContact CD1-CD1 3.71Å; L775-I782 HydrophobicContact CG-CD1 4.45Å; I776-I782 HydrophobicContact CD1-CB 4.36Å; I776-I782 HydrophobicContact CG1-CB 4.11Å; Y780-I782 VanDerWaalsContact C-N 3.31Å; Y780-I782 PolarHBondContact O-N 3.18Å; I782-G788 WeakPolarHBondContact CG2-O 3.39Å; I782-F792 HydrophobicContact CD1-CD2 3.99Å; I782-F792 HydrophobicContact CG2-CB 3.95Å; I782-I795 HydrophobicContact CD1-CD1 4.24Å
783	G	70.6	Confident	81.5	Confident	25 Å²	25	66.7 Å²	66.7	26%	0.258	40%	0.395	S	S	.	.			trans	-59.1	152.9	177.2	0	0	0	0	0	114	D781 D785 G788	D781-G783 PolarHBondContact O-N 3.05Å; G783-D785 PolarHBondContact O-N 3.25Å; G783-G788 WeakPolarHBondContact O-CA 3.45Å
784	N	77	Confident	81.3	Confident	148 Å²	148	70.9 Å²	70.9	79%	0.791	40%	0.402	S	S	*	.	S	Bend	trans	-85	24.8	169.6	-75.7	-31.3	0	0	0	112.6	K772	K772-N784 PolarHBondContact NZ-OD1 2.92Å
785	D	81.9	Confident	81.1	Confident	79 Å²	79	71 Å²	71	42%	0.422	40%	0.403	S	S	.	.	S	Bend	trans	-102.8	169.9	175.9	72.9	-14.1	0	0	0	110.3	G783 Q787 G788 E789	G783-D785 PolarHBondContact O-N 3.25Å; D785-Q787 PolarHBondContact O-N 3.25Å; D785-Q787 PolarHBondContact OD1-N 3.42Å; D785-G788 PolarHBondContact O-N 2.93Å; D785-G788 PolarHBondContact OD1-N 3.26Å; D785-E789 PolarHBondContact O-N 2.9Å
786	P	79.1	Confident	81	Confident	116 Å²	116	72.4 Å²	72.4	75%	0.753	41%	0.41	S	S	*	.	H	α-helix	trans	-60.3	-16.9	-178.9	-25.1	35.6	0	0	0	114.3	A790	P786-A790 PolarHBondContact O-N 2.77Å
787	Q	77.3	Confident	80.9	Confident	152 Å²	152	71.9 Å²	71.9	71%	0.71	41%	0.414	S	S	*	.	H	α-helix	trans	-86.5	-43.4	-178.4	-160.9	155.6	-1.9	0	0	110.9	D785 A790 E791	D785-Q787 PolarHBondContact O-N 3.25Å; D785-Q787 PolarHBondContact OD1-N 3.42Å; Q787-A790 PolarHBondContact O-N 3.42Å; Q787-E791 WeakPolarHBondContact O-CB 3.31Å; Q787-E791 PolarHBondContact O-N 2.76Å
788	G	81	Confident	80.6	Confident	6 Å²	6	71.1 Å²	71.1	6%	0.062	40%	0.404	C	S	.	.	H	α-helix	trans	-66	-32.9	169.2	0	0	0	0	0	113.8	I782 G783 D785 E791 F792	I782-G788 WeakPolarHBondContact CG2-O 3.39Å; G783-G788 WeakPolarHBondContact O-CA 3.45Å; D785-G788 PolarHBondContact O-N 2.93Å; D785-G788 PolarHBondContact OD1-N 3.26Å; G788-E791 WeakPolarHBondContact O-CB 3.42Å; G788-E791 PolarHBondContact O-N 3.43Å; G788-F792 WeakPolarHBondContact O-CB 3.43Å; G788-F792 PolarHBondContact O-N 2.68Å
789	E	84.7	Confident	80.6	Confident	96 Å²	96	69.5 Å²	69.5	45%	0.449	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-42.4	169.1	-79.4	-69.4	121	0	0	112.2	K772 D785 F792 A793	K772-E789 IonicContact NZ-OE1 3.58Å; K772-E789 PolarHBondContact NZ-OE1 3.45Å; D785-E789 PolarHBondContact O-N 2.9Å; E789-F792 PolarHBondContact O-N 3.4Å; E789-A793 WeakPolarHBondContact O-CB 3.38Å; E789-A793 PolarHBondContact O-N 2.73Å
790	A	83.9	Confident	80.8	Confident	61 Å²	61	67 Å²	67	50%	0.504	37%	0.368	S	S	.	.	H	α-helix	trans	-70	-37	176.6	0	0	0	0	0	112.7	P786 Q787 R794	P786-A790 PolarHBondContact O-N 2.77Å; Q787-A790 PolarHBondContact O-N 3.42Å; A790-R794 WeakPolarHBondContact O-CB 3.3Å; A790-R794 PolarHBondContact O-N 3.44Å; A790-R794 VanDerWaalsContact O-N 3.09Å
791	E	82.3	Confident	80.5	Confident	79 Å²	79	67.3 Å²	67.3	37%	0.369	38%	0.38	S	S	.	.	H	α-helix	trans	-56.1	-51.9	170.3	-170	81.9	-159.1	0	0	110.3	Q787 G788 R794 I795	Q787-E791 WeakPolarHBondContact O-CB 3.31Å; Q787-E791 PolarHBondContact O-N 2.76Å; G788-E791 WeakPolarHBondContact O-CB 3.42Å; G788-E791 PolarHBondContact O-N 3.43Å; E791-R794 WeakPolarHBondContact O-CB 3.3Å; E791-R794 PolarHBondContact O-N 3.15Å; E791-R794 IonicContact OE1-CZ 2.95Å; E791-R794 IonicContact OE1-NH2 3.64Å; E791-R794 PolarHBondContact OE1-NH2 3.19Å; E791-R794 IonicContact OE2-NH2 3.74Å; E791-R794 PolarHBondContact OE2-NH2 3.05Å; E791-I795 HydrophobicContact CG-CD1 4.41Å; E791-I795 WeakPolarHBondContact O-CG1 3.28Å; E791-I795 PolarHBondContact O-N 3.48Å
792	F	88.7	Confident	80.4	Confident	17 Å²	17	65.1 Å²	65.1	8%	0.075	37%	0.368	C	S	.	.	H	α-helix	trans	-67	-41.3	-179.4	-175.2	-111.7	0	0	0	112.9	P768 F771 K772 L775 I782 G788 E789 R794 I795 M796	P768-F792 HydrophobicContact CB-CE1 4.22Å; P768-F792 HydrophobicContact CB-CZ 4.44Å; P768-F792 WeakPolarHBondContact O-CZ 3.32Å; F771-F792 AromaticContact CD1-CE2 3.64Å; F771-F792 HydrophobicContact CD1-CE2 3.64Å; F771-F792 AromaticContact CD1-CZ 3.94Å; F771-F792 HydrophobicContact CD1-CZ 3.94Å; F771-F792 HydrophobicContact CE1-CE2 4.17Å; K772-F792 HydrophobicContact CB-CD2 4.07Å; K772-F792 HydrophobicContact CB-CE1 4.16Å; K772-F792 HydrophobicContact CB-CE2 3.64Å; K772-F792 HydrophobicContact CB-CZ 3.71Å; K772-F792 HydrophobicContact CD-CD1 4.18Å; K772-F792 HydrophobicContact CD-CE1 4.44Å; K772-F792 HydrophobicContact CD-CG 4.24Å; K772-F792 HydrophobicContact CG-CD1 4.46Å; K772-F792 HydrophobicContact CG-CD2 4Å; K772-F792 HydrophobicContact CG-CE2 4.1Å; K772-F792 HydrophobicContact CG-CG 4.19Å; K772-F792 HydrophobicContact CG-CZ 4.4Å; L775-F792 HydrophobicContact CD1-CD2 4.32Å; L775-F792 HydrophobicContact CD1-CE2 4.18Å; I782-F792 HydrophobicContact CD1-CD2 3.99Å; I782-F792 HydrophobicContact CG2-CB 3.95Å; G788-F792 WeakPolarHBondContact O-CB 3.43Å; G788-F792 PolarHBondContact O-N 2.68Å; E789-F792 PolarHBondContact O-N 3.4Å; F792-R794 VanDerWaalsContact C-N 3.28Å; F792-R794 PolarHBondContact O-N 3.38Å; F792-I795 PolarHBondContact O-N 3.27Å; F792-I795 VanDerWaalsContact O-N 3.12Å; F792-M796 HydrophobicContact CE1-CE 4.09Å; F792-M796 HydrophobicContact CE2-CE 4.47Å; F792-M796 HydrophobicContact CZ-CE 3.62Å; F792-M796 WeakPolarHBondContact O-CB 3.2Å; F792-M796 PolarHBondContact O-N 2.98Å
793	A	85.4	Confident	80.1	Confident	61 Å²	61	75.3 Å²	75.3	50%	0.504	41%	0.406	S	S	.	.	H	α-helix	trans	-60.4	-37.7	175.5	0	0	0	0	0	112.2	E789 S797	E789-A793 WeakPolarHBondContact O-CB 3.38Å; E789-A793 PolarHBondContact O-N 2.73Å; A793-S797 PolarHBondContact O-N 3.5Å; A793-S797 VanDerWaalsContact O-N 3.09Å
794	R	84.5	Confident	80.3	Confident	125 Å²	125	80.2 Å²	80.2	47%	0.472	43%	0.426	S	S	.	.	H	α-helix	trans	-64.9	-45.6	171.7	171.5	174.5	54.7	90.2	-4.5	111.5	A790 E791 F792 M796 S797 I798	A790-R794 WeakPolarHBondContact O-CB 3.3Å; A790-R794 PolarHBondContact O-N 3.44Å; A790-R794 VanDerWaalsContact O-N 3.09Å; E791-R794 WeakPolarHBondContact O-CB 3.3Å; E791-R794 PolarHBondContact O-N 3.15Å; E791-R794 IonicContact OE1-CZ 2.95Å; E791-R794 IonicContact OE1-NH2 3.64Å; E791-R794 PolarHBondContact OE1-NH2 3.19Å; E791-R794 IonicContact OE2-NH2 3.74Å; E791-R794 PolarHBondContact OE2-NH2 3.05Å; F792-R794 VanDerWaalsContact C-N 3.28Å; F792-R794 PolarHBondContact O-N 3.38Å; R794-M796 PolarHBondContact O-N 3.43Å; R794-S797 PolarHBondContact O-N 2.99Å; R794-S797 PolarHBondContact O-OG 2.66Å; R794-I798 HydrophobicContact CG-CD1 4.5Å; R794-I798 PolarHBondContact O-N 3.21Å
795	I	84.7	Confident	80.5	Confident	3 Å²	3	74.9 Å²	74.9	2%	0.015	41%	0.406	C	S	.	.	H	α-helix	trans	-60.5	-45.7	176.4	-65.8	167.4	0	0	0	110.5	F771 L775 I782 E791 F792 S797 I798 V799 F815	F771-I795 HydrophobicContact CE1-CG2 3.89Å; F771-I795 HydrophobicContact CZ-CG2 4.29Å; L775-I795 HydrophobicContact CD1-CD1 4.36Å; L775-I795 HydrophobicContact CD1-CG2 4.03Å; I782-I795 HydrophobicContact CD1-CD1 4.24Å; E791-I795 HydrophobicContact CG-CD1 4.41Å; E791-I795 WeakPolarHBondContact O-CG1 3.28Å; E791-I795 PolarHBondContact O-N 3.48Å; F792-I795 PolarHBondContact O-N 3.27Å; F792-I795 VanDerWaalsContact O-N 3.12Å; I795-S797 VanDerWaalsContact C-N 3.29Å; I795-S797 PolarHBondContact O-N 3.45Å; I795-I798 WeakPolarHBondContact O-CA 3.36Å; I795-I798 WeakPolarHBondContact O-CB 3.48Å; I795-I798 PolarHBondContact O-N 3.09Å; I795-V799 PolarHBondContact O-N 2.86Å; I795-V799 VanDerWaalsContact O-N 3.15Å; I795-F815 HydrophobicContact CB-CE2 4.31Å; I795-F815 HydrophobicContact CB-CZ 4.41Å; I795-F815 HydrophobicContact CD1-CZ 3.95Å; I795-F815 HydrophobicContact CG1-CE2 3.97Å; I795-F815 HydrophobicContact CG1-CZ 3.89Å; I795-F815 HydrophobicContact CG2-CD2 4.08Å; I795-F815 HydrophobicContact CG2-CE1 4.15Å; I795-F815 HydrophobicContact CG2-CE2 3.6Å; I795-F815 HydrophobicContact CG2-CZ 3.64Å
796	M	85.5	Confident	80.6	Confident	28 Å²	28	73.8 Å²	73.8	14%	0.138	40%	0.402	C	S	.	.	H	α-helix	trans	-58.6	-40.1	177.9	-172.8	58.2	71.4	0	0	112	P768 F771 F792 R794 I798 V799 D800 V807	P768-M796 HydrophobicContact CB-CE 3.88Å; P768-M796 HydrophobicContact CG-CE 4.17Å; F771-M796 HydrophobicContact CD1-CE 3.92Å; F792-M796 HydrophobicContact CE1-CE 4.09Å; F792-M796 HydrophobicContact CE2-CE 4.47Å; F792-M796 HydrophobicContact CZ-CE 3.62Å; F792-M796 WeakPolarHBondContact O-CB 3.2Å; F792-M796 PolarHBondContact O-N 2.98Å; R794-M796 PolarHBondContact O-N 3.43Å; M796-I798 PolarHBondContact O-N 2.93Å; M796-I798 VanDerWaalsContact O-N 3.15Å; M796-V799 PolarHBondContact O-N 2.7Å; M796-V799 HydrophobicContact SD-CG2 4.03Å; M796-D800 PolarHBondContact O-N 2.63Å; M796-D800 HydrophobicContact SD-CB 3.96Å; M796-V807 HydrophobicContact CE-CG2 3.9Å; M796-V807 HydrophobicContact SD-CG2 3.79Å
797	S	82	Confident	80.9	Confident	73 Å²	73	68.3 Å²	68.3	51%	0.51	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-17.1	175.1	74.8	0	0	0	0	114.8	A793 R794 I795	A793-S797 PolarHBondContact O-N 3.5Å; A793-S797 VanDerWaalsContact O-N 3.09Å; R794-S797 PolarHBondContact O-N 2.99Å; R794-S797 PolarHBondContact O-OG 2.66Å; I795-S797 VanDerWaalsContact C-N 3.29Å; I795-S797 PolarHBondContact O-N 3.45Å
798	I	79.5	Confident	81.2	Confident	52 Å²	52	64.1 Å²	64.1	27%	0.267	35%	0.351	S	S	.	.	H	α-helix	trans	-88.7	-43.1	176.1	-68.4	162.6	0	0	0	111.2	R794 I795 M796 F815 R818	R794-I798 HydrophobicContact CG-CD1 4.5Å; R794-I798 PolarHBondContact O-N 3.21Å; I795-I798 WeakPolarHBondContact O-CA 3.36Å; I795-I798 WeakPolarHBondContact O-CB 3.48Å; I795-I798 PolarHBondContact O-N 3.09Å; M796-I798 PolarHBondContact O-N 2.93Å; M796-I798 VanDerWaalsContact O-N 3.15Å; I798-F815 HydrophobicContact CG2-CD2 4.34Å; I798-R818 VanDerWaalsContact CG2-CZ 3.49Å; I798-R818 VanDerWaalsContact CG2-NH1 3.34Å
799	V	79.2	Confident	81.2	Confident	13 Å²	13	64.7 Å²	64.7	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-85.9	-26	-176.4	-66.4	0	0	0	0	113.9	F771 I795 M796 V807 A811 F815	F771-V799 HydrophobicContact CD1-CG2 4.41Å; F771-V799 HydrophobicContact CE1-CG1 4.48Å; F771-V799 HydrophobicContact CE1-CG2 3.66Å; F771-V799 HydrophobicContact CZ-CG1 4.04Å; F771-V799 HydrophobicContact CZ-CG2 3.98Å; I795-V799 PolarHBondContact O-N 2.86Å; I795-V799 VanDerWaalsContact O-N 3.15Å; M796-V799 PolarHBondContact O-N 2.7Å; M796-V799 HydrophobicContact SD-CG2 4.03Å; V799-V807 HydrophobicContact CB-CG1 4.03Å; V799-V807 HydrophobicContact CB-CG2 4.4Å; V799-V807 HydrophobicContact CG2-CG1 4.07Å; V799-V807 HydrophobicContact CG2-CG2 3.62Å; V799-A811 HydrophobicContact CB-CB 4.22Å; V799-A811 WeakPolarHBondContact O-CB 3.12Å; V799-F815 HydrophobicContact CG1-CB 3.59Å; V799-F815 HydrophobicContact CG1-CD2 4.27Å; V799-F815 HydrophobicContact CG1-CG 4.04Å
800	D	80.1	Confident	80.8	Confident	13 Å²	13	61.4 Å²	61.4	7%	0.07	34%	0.336	C	S	.	.			trans	-129.9	69.8	175.3	-179.9	22.9	0	0	0	110.6	M796 N802 R803 L804 G805	M796-D800 PolarHBondContact O-N 2.63Å; M796-D800 HydrophobicContact SD-CB 3.96Å; D800-N802 PolarHBondContact O-N 3.24Å; D800-R803 PolarHBondContact O-N 2.94Å; D800-R803 WeakPolarHBondContact OD1-CA 3.44Å; D800-R803 PolarHBondContact OD1-N 3.4Å; D800-R803 VanDerWaalsContact OD2-C 3.27Å; D800-R803 WeakPolarHBondContact OD2-CA 3.46Å; D800-L804 VanDerWaalsContact CG-N 3.3Å; D800-L804 PolarHBondContact OD1-N 3.41Å; D800-L804 PolarHBondContact OD2-N 3.48Å; D800-G805 PolarHBondContact OD2-N 3.41Å
801	P	70.9	Confident	80.6	Confident	92 Å²	92	59.2 Å²	59.2	60%	0.597	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.7	177.6	27.2	-35.2	0	0	0	112.4	R803	P801-R803 VanDerWaalsContact C-N 3.35Å
802	N	70.7	Confident	80.6	Confident	119 Å²	119	55.4 Å²	55.4	64%	0.636	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.7	-179.4	-66.1	-13.1	0	0	0	113.2	D800 L804	D800-N802 PolarHBondContact O-N 3.24Å; N802-L804 VanDerWaalsContact C-N 3.33Å; N802-L804 HydrophobicContact CB-CD1 4.39Å; N802-L804 HydrophobicContact CB-CG 4.07Å; N802-L804 PolarHBondContact O-N 3.41Å
803	R	74.4	Confident	80.2	Confident	224 Å²	224	54.7 Å²	54.7	85%	0.845	30%	0.297	S	S	*	.			trans	56.6	41.5	-177.2	-53.6	-175.7	-178.7	-162	-0.2	113.5	D800 P801 G805	D800-R803 PolarHBondContact O-N 2.94Å; D800-R803 WeakPolarHBondContact OD1-CA 3.44Å; D800-R803 PolarHBondContact OD1-N 3.4Å; D800-R803 VanDerWaalsContact OD2-C 3.27Å; D800-R803 WeakPolarHBondContact OD2-CA 3.46Å; P801-R803 VanDerWaalsContact C-N 3.35Å; R803-G805 PolarHBondContact O-N 3.02Å
804	L	74.4	Confident	79.6	Confident	128 Å²	128	52.6 Å²	52.6	67%	0.67	28%	0.278	S	S	*	.			trans	-68.6	-16.7	171.4	-64.2	173.1	0	0	0	112.4	D800 N802 V806	D800-L804 VanDerWaalsContact CG-N 3.3Å; D800-L804 PolarHBondContact OD1-N 3.41Å; D800-L804 PolarHBondContact OD2-N 3.48Å; N802-L804 VanDerWaalsContact C-N 3.33Å; N802-L804 HydrophobicContact CB-CD1 4.39Å; N802-L804 HydrophobicContact CB-CG 4.07Å; N802-L804 PolarHBondContact O-N 3.41Å; L804-V806 VanDerWaalsContact C-N 3.32Å; L804-V806 HydrophobicContact CB-CG2 3.93Å
805	G	80.4	Confident	79.4	Confident	36 Å²	36	47.7 Å²	47.7	37%	0.371	26%	0.26	S	S	.	.	S	Bend	trans	80.7	11.1	-179.2	0	0	0	0	0	113.9	P768 D800 R803	P768-G805 WeakPolarHBondContact CD-O 3.48Å; D800-G805 PolarHBondContact OD2-N 3.41Å; R803-G805 PolarHBondContact O-N 3.02Å
806	V	84.5	Confident	79.1	Confident	56 Å²	56	49.4 Å²	49.4	34%	0.339	27%	0.268	S	S	.	.			trans	-140.4	139.1	-174.7	-71.4	0	0	0	0	111.1	T765 L804	T765-V806 HydrophobicContact CG2-CB 4.36Å; L804-V806 VanDerWaalsContact C-N 3.32Å; L804-V806 HydrophobicContact CB-CG2 3.93Å
807	V	85.6	Confident	78.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.6	178.3	-176.4	0	0	0	0	109.2	T765 L766 F771 M796 V799 A811 F812	T765-V807 CarbonylContact C-O 3.59Å; T765-V807 WeakPolarHBondContact CA-O 3.2Å; L766-V807 PolarHBondContact N-O 3.22Å; L766-V807 PolarHBondContact O-N 2.86Å; F771-V807 HydrophobicContact CB-CG2 4.27Å; F771-V807 HydrophobicContact CD1-CG2 3.8Å; F771-V807 HydrophobicContact CD2-CB 4.12Å; F771-V807 HydrophobicContact CD2-CG1 3.9Å; F771-V807 HydrophobicContact CD2-CG2 4.23Å; F771-V807 HydrophobicContact CE1-CG2 4.18Å; F771-V807 HydrophobicContact CE2-CB 4.48Å; F771-V807 HydrophobicContact CE2-CG1 3.79Å; F771-V807 HydrophobicContact CG-CB 4.17Å; F771-V807 HydrophobicContact CG-CG1 4.36Å; F771-V807 HydrophobicContact CG-CG2 3.83Å; F771-V807 HydrophobicContact CZ-CG1 4.16Å; M796-V807 HydrophobicContact CE-CG2 3.9Å; M796-V807 HydrophobicContact SD-CG2 3.79Å; V799-V807 HydrophobicContact CB-CG1 4.03Å; V799-V807 HydrophobicContact CB-CG2 4.4Å; V799-V807 HydrophobicContact CG2-CG1 4.07Å; V799-V807 HydrophobicContact CG2-CG2 3.62Å; V807-A811 HydrophobicContact CG1-CB 4.18Å; V807-F812 HydrophobicContact CG1-CB 4.23Å
808	T	83.2	Confident	77.7	Confident	64 Å²	64	52 Å²	52	39%	0.393	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	153.9	174.3	62.7	0	0	0	0	110.9	T765 Q810 A811 F812	T765-T808 HydrophobicContact CG2-CG2 4.14Å; T808-Q810 PolarHBondContact O-N 3.27Å; T808-Q810 VanDerWaalsContact O-N 3.12Å; T808-A811 PolarHBondContact O-N 3.2Å; T808-A811 PolarHBondContact OG1-N 2.77Å; T808-F812 PolarHBondContact O-N 2.97Å; T808-F812 VanDerWaalsContact O-N 3.07Å
809	F	81.4	Confident	76.4	Confident	18 Å²	18	58.7 Å²	58.7	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-51.6	-37.8	173.5	179.5	-117.1	0	0	0	112.2	M748 R752 F755 F812 I813	M748-F809 HydrophobicContact CE-CE1 4.37Å; R752-F809 HydrophobicContact CB-CE2 3.95Å; R752-F809 HydrophobicContact CB-CZ 3.65Å; R752-F809 HydrophobicContact CG-CE1 4.46Å; R752-F809 HydrophobicContact CG-CE2 4.21Å; R752-F809 HydrophobicContact CG-CZ 3.97Å; F755-F809 HydrophobicContact CB-CD2 3.66Å; F755-F809 HydrophobicContact CB-CE2 3.96Å; F755-F809 HydrophobicContact CD1-CB 4.14Å; F755-F809 AromaticContact CD1-CD2 3.92Å; F755-F809 HydrophobicContact CD1-CD2 3.92Å; F755-F809 HydrophobicContact CD1-CG 4.42Å; F755-F809 HydrophobicContact CD2-CB 4.34Å; F755-F809 AromaticContact CD2-CD2 3.81Å; F755-F809 HydrophobicContact CD2-CD2 3.81Å; F755-F809 HydrophobicContact CE1-CB 3.9Å; F755-F809 VanDerWaalsContact CE2-CA 3.44Å; F755-F809 HydrophobicContact CE2-CB 4.09Å; F755-F809 HydrophobicContact CE2-CD2 4.4Å; F755-F809 HydrophobicContact CG-CB 4.35Å; F755-F809 AromaticContact CG-CD2 3.53Å; F755-F809 HydrophobicContact CG-CD2 3.53Å; F755-F809 HydrophobicContact CG-CE2 4.33Å; F755-F809 HydrophobicContact CG-CG 4.39Å; F755-F809 HydrophobicContact CZ-CB 3.86Å; F755-F809 VanDerWaalsContact CZ-N 3.27Å; F809-F812 AromaticContact CD2-CD1 3.93Å; F809-F812 HydrophobicContact CD2-CD1 3.93Å; F809-F812 HydrophobicContact CD2-CE1 4.48Å; F809-F812 HydrophobicContact CE2-CD1 4.02Å; F809-F812 HydrophobicContact CE2-CE1 4.19Å; F809-F812 WeakPolarHBondContact O-CB 3.39Å; F809-F812 PolarHBondContact O-N 3.48Å; F809-I813 HydrophobicContact CD1-CG1 4.38Å; F809-I813 HydrophobicContact CD2-CG1 4.37Å; F809-I813 HydrophobicContact CE1-CD1 4.33Å; F809-I813 HydrophobicContact CE1-CG1 3.91Å; F809-I813 HydrophobicContact CE2-CD1 3.86Å; F809-I813 HydrophobicContact CE2-CG1 3.89Å; F809-I813 HydrophobicContact CZ-CD1 3.62Å; F809-I813 HydrophobicContact CZ-CG1 3.65Å; F809-I813 WeakPolarHBondContact O-CG1 3.34Å; F809-I813 PolarHBondContact O-N 2.63Å
810	Q	75.1	Confident	74.9	Confident	27 Å²	27	63 Å²	63	13%	0.126	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-44.7	177.8	-174	61.6	70.5	0	0	113	R346 T737 T808 F812 I813 D814	R346-Q810 VanDerWaalsContact NH2-CD 3.26Å; R346-Q810 VanDerWaalsContact NH2-NE2 3.14Å; T737-Q810 PolarHBondContact OG1-NE2 3.41Å; T737-Q810 PolarHBondContact OG1-OE1 3.24Å; T808-Q810 PolarHBondContact O-N 3.27Å; T808-Q810 VanDerWaalsContact O-N 3.12Å; Q810-F812 VanDerWaalsContact C-N 3.3Å; Q810-F812 PolarHBondContact O-N 3.45Å; Q810-I813 PolarHBondContact O-N 3.45Å; Q810-D814 PolarHBondContact NE2-OD1 3.06Å; Q810-D814 PolarHBondContact O-N 3.07Å; Q810-D814 VanDerWaalsContact O-N 3.1Å; Q810-D814 VanDerWaalsContact O-OD1 3.05Å
811	A	79.3	Confident	73.5	Confident	15 Å²	15	63.6 Å²	63.6	12%	0.124	33%	0.329	C	S	.	.	H	α-helix	trans	-65.8	-34.5	176.7	0	0	0	0	0	112.2	V799 V807 T808 F815	V799-A811 HydrophobicContact CB-CB 4.22Å; V799-A811 WeakPolarHBondContact O-CB 3.12Å; V807-A811 HydrophobicContact CG1-CB 4.18Å; T808-A811 PolarHBondContact O-N 3.2Å; T808-A811 PolarHBondContact OG1-N 2.77Å; A811-F815 PolarHBondContact O-N 3.26Å; A811-F815 VanDerWaalsContact O-N 3.12Å
812	F	84.1	Confident	72.7	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.6	-46.8	173.2	162.3	-115.6	0	0	0	112.5	F751 F755 F771 L778 V807 T808 F809 Q810 D814 F815 M816	F751-F812 HydrophobicContact CB-CE1 3.84Å; F751-F812 HydrophobicContact CB-CZ 4.26Å; F751-F812 HydrophobicContact CD1-CZ 4.29Å; F751-F812 WeakPolarHBondContact O-CE1 3.44Å; F755-F812 HydrophobicContact CB-CD1 4.16Å; F755-F812 HydrophobicContact CB-CE1 4.05Å; F755-F812 HydrophobicContact CD2-CB 4.11Å; F755-F812 AromaticContact CD2-CD1 3.62Å; F755-F812 HydrophobicContact CD2-CD1 3.62Å; F755-F812 HydrophobicContact CD2-CE1 4.28Å; F755-F812 HydrophobicContact CD2-CG 4.02Å; F755-F812 HydrophobicContact CE2-CB 4.19Å; F755-F812 HydrophobicContact CE2-CD1 4.48Å; F755-F812 HydrophobicContact CG-CD1 4.3Å; F771-F812 HydrophobicContact CE2-CB 4.21Å; F771-F812 AromaticContact CE2-CD2 3.84Å; F771-F812 HydrophobicContact CE2-CD2 3.84Å; F771-F812 HydrophobicContact CE2-CG 4.41Å; L778-F812 HydrophobicContact CD1-CE2 3.65Å; L778-F812 HydrophobicContact CD1-CZ 3.53Å; V807-F812 HydrophobicContact CG1-CB 4.23Å; T808-F812 PolarHBondContact O-N 2.97Å; T808-F812 VanDerWaalsContact O-N 3.07Å; F809-F812 AromaticContact CD2-CD1 3.93Å; F809-F812 HydrophobicContact CD2-CD1 3.93Å; F809-F812 HydrophobicContact CD2-CE1 4.48Å; F809-F812 HydrophobicContact CE2-CD1 4.02Å; F809-F812 HydrophobicContact CE2-CE1 4.19Å; F809-F812 WeakPolarHBondContact O-CB 3.39Å; F809-F812 PolarHBondContact O-N 3.48Å; Q810-F812 VanDerWaalsContact C-N 3.3Å; Q810-F812 PolarHBondContact O-N 3.45Å; F812-D814 PolarHBondContact O-N 2.92Å; F812-F815 WeakPolarHBondContact O-CB 3.35Å; F812-F815 PolarHBondContact O-N 3.45Å; F812-F815 VanDerWaalsContact O-N 3.16Å; F812-M816 HydrophobicContact CD2-CG 3.71Å; F812-M816 HydrophobicContact CD2-SD 4.36Å; F812-M816 HydrophobicContact CE2-CG 3.29Å; F812-M816 HydrophobicContact CE2-SD 3.71Å; F812-M816 HydrophobicContact CZ-CG 3.79Å; F812-M816 HydrophobicContact CZ-SD 4.46Å; F812-M816 WeakPolarHBondContact O-CG 3.49Å; F812-M816 PolarHBondContact O-N 2.71Å
813	I	80.2	Confident	72.1	Confident	1 Å²	1	64 Å²	64	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-60.2	-43.9	176.1	-67.3	-67.2	0	0	0	111.7	T737 I743 M748 F751 F809 Q810 F815 M816 S817	T737-I813 HydrophobicContact CG2-CG2 3.56Å; I743-I813 HydrophobicContact CD1-CG2 3.69Å; M748-I813 HydrophobicContact SD-CD1 3.79Å; M748-I813 HydrophobicContact SD-CG1 4.3Å; M748-I813 HydrophobicContact SD-CG2 4.38Å; F751-I813 HydrophobicContact CB-CD1 3.4Å; F751-I813 HydrophobicContact CD2-CD1 3.51Å; F751-I813 HydrophobicContact CG-CD1 3.8Å; F809-I813 HydrophobicContact CD1-CG1 4.38Å; F809-I813 HydrophobicContact CD2-CG1 4.37Å; F809-I813 HydrophobicContact CE1-CD1 4.33Å; F809-I813 HydrophobicContact CE1-CG1 3.91Å; F809-I813 HydrophobicContact CE2-CD1 3.86Å; F809-I813 HydrophobicContact CE2-CG1 3.89Å; F809-I813 HydrophobicContact CZ-CD1 3.62Å; F809-I813 HydrophobicContact CZ-CG1 3.65Å; F809-I813 WeakPolarHBondContact O-CG1 3.34Å; F809-I813 PolarHBondContact O-N 2.63Å; Q810-I813 PolarHBondContact O-N 3.45Å; I813-F815 VanDerWaalsContact C-N 3.26Å; I813-F815 PolarHBondContact O-N 3.46Å; I813-M816 PolarHBondContact O-N 2.89Å; I813-S817 WeakPolarHBondContact O-CB 3.16Å; I813-S817 PolarHBondContact O-N 2.85Å; I813-S817 PolarHBondContact O-OG 3.36Å
814	D	72.6	Confident	71.7	Confident	18 Å²	18	55 Å²	55	10%	0.096	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-31.4	177.1	-82.4	58.4	0	0	0	112.6	R346 Q810 F812	R346-D814 WeakPolarHBondContact CD-OD2 3.27Å; R346-D814 WeakPolarHBondContact CG-OD2 3.26Å; R346-D814 IonicContact CZ-OD1 3.36Å; R346-D814 IonicContact CZ-OD2 3.91Å; R346-D814 VanDerWaalsContact NE-CG 3.29Å; R346-D814 IonicContact NE-OD1 2.72Å; R346-D814 IonicContact NE-OD2 2.68Å; R346-D814 PolarHBondContact NE-OD2 3.12Å; R346-D814 IonicContact NH2-OD1 2.66Å; R346-D814 PolarHBondContact NH2-OD1 2.94Å; R346-D814 IonicContact NH2-OD2 3.73Å; Q810-D814 PolarHBondContact NE2-OD1 3.06Å; Q810-D814 PolarHBondContact O-N 3.07Å; Q810-D814 VanDerWaalsContact O-N 3.1Å; Q810-D814 VanDerWaalsContact O-OD1 3.05Å; F812-D814 PolarHBondContact O-N 2.92Å
815	F	80	Confident	71.5	Confident	22 Å²	22	51.5 Å²	51.5	10%	0.096	28%	0.281	C	S	.	.	H	α-helix	trans	-73	-46.3	172.4	175.5	-98.7	0	0	0	112.6	L775 Y780 I795 I798 V799 A811 F812 I813 S817 R818	L775-F815 HydrophobicContact CD2-CD1 4.1Å; L775-F815 HydrophobicContact CD2-CE1 3.69Å; Y780-F815 HydrophobicContact CE1-CE1 4.11Å; Y780-F815 HydrophobicContact CE1-CZ 4Å; Y780-F815 HydrophobicContact CE2-CE1 4.23Å; Y780-F815 AromaticContact CZ-CE1 3.81Å; I795-F815 HydrophobicContact CB-CE2 4.31Å; I795-F815 HydrophobicContact CB-CZ 4.41Å; I795-F815 HydrophobicContact CD1-CZ 3.95Å; I795-F815 HydrophobicContact CG1-CE2 3.97Å; I795-F815 HydrophobicContact CG1-CZ 3.89Å; I795-F815 HydrophobicContact CG2-CD2 4.08Å; I795-F815 HydrophobicContact CG2-CE1 4.15Å; I795-F815 HydrophobicContact CG2-CE2 3.6Å; I795-F815 HydrophobicContact CG2-CZ 3.64Å; I798-F815 HydrophobicContact CG2-CD2 4.34Å; V799-F815 HydrophobicContact CG1-CB 3.59Å; V799-F815 HydrophobicContact CG1-CD2 4.27Å; V799-F815 HydrophobicContact CG1-CG 4.04Å; A811-F815 PolarHBondContact O-N 3.26Å; A811-F815 VanDerWaalsContact O-N 3.12Å; F812-F815 WeakPolarHBondContact O-CB 3.35Å; F812-F815 PolarHBondContact O-N 3.45Å; F812-F815 VanDerWaalsContact O-N 3.16Å; I813-F815 VanDerWaalsContact C-N 3.26Å; I813-F815 PolarHBondContact O-N 3.46Å; F815-S817 VanDerWaalsContact C-N 3.27Å; F815-S817 PolarHBondContact O-N 2.97Å; F815-R818 PolarHBondContact O-N 3.29Å
816	M	78.1	Confident	71.4	Confident	39 Å²	39	49.8 Å²	49.8	19%	0.192	26%	0.263	C	S	.	.	H	α-helix	trans	-68.1	-24.8	-179.3	-64.1	-59.7	-66.7	0	0	113.3	F751 L775 L778 Y780 F812 I813	F751-M816 HydrophobicContact CD1-CB 4.35Å; F751-M816 HydrophobicContact CD1-CE 4.26Å; F751-M816 HydrophobicContact CD1-CG 4.28Å; F751-M816 HydrophobicContact CE1-CB 3.86Å; F751-M816 HydrophobicContact CE1-CE 3.63Å; F751-M816 HydrophobicContact CE1-CG 4.12Å; F751-M816 HydrophobicContact CE2-CB 4.14Å; F751-M816 HydrophobicContact CZ-CB 3.74Å; F751-M816 HydrophobicContact CZ-CE 4.4Å; F751-M816 HydrophobicContact CZ-CG 4.48Å; L775-M816 HydrophobicContact CD2-SD 4.22Å; L778-M816 HydrophobicContact CB-CE 4.36Å; L778-M816 HydrophobicContact CD1-CE 4.1Å; L778-M816 HydrophobicContact CD1-SD 4.41Å; Y780-M816 HydrophobicContact CE2-CE 4.01Å; Y780-M816 HydrophobicContact CE2-SD 3.9Å; F812-M816 HydrophobicContact CD2-CG 3.71Å; F812-M816 HydrophobicContact CD2-SD 4.36Å; F812-M816 HydrophobicContact CE2-CG 3.29Å; F812-M816 HydrophobicContact CE2-SD 3.71Å; F812-M816 HydrophobicContact CZ-CG 3.79Å; F812-M816 HydrophobicContact CZ-SD 4.46Å; F812-M816 WeakPolarHBondContact O-CG 3.49Å; F812-M816 PolarHBondContact O-N 2.71Å; I813-M816 PolarHBondContact O-N 2.89Å
817	S	71.2	Confident	71.1	Confident	4 Å²	4	52.5 Å²	52.5	3%	0.028	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	10.7	-178.8	61.2	0	0	0	0	114.5	I813 F815 E819 T820	I813-S817 WeakPolarHBondContact O-CB 3.16Å; I813-S817 PolarHBondContact O-N 2.85Å; I813-S817 PolarHBondContact O-OG 3.36Å; F815-S817 VanDerWaalsContact C-N 3.27Å; F815-S817 PolarHBondContact O-N 2.97Å; S817-E819 VanDerWaalsContact C-N 3.3Å; S817-E819 PolarHBondContact O-N 2.87Å; S817-T820 PolarHBondContact O-OG1 3.07Å
818	R	66.9	Low	70.9	Confident	151 Å²	151	55.8 Å²	55.8	57%	0.57	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.5	-172.5	-124.1	175.9	-178.8	-148.4	-0	114.7	I798 F815	I798-R818 VanDerWaalsContact CG2-CZ 3.49Å; I798-R818 VanDerWaalsContact CG2-NH1 3.34Å; F815-R818 PolarHBondContact O-N 3.29Å
819	E	52.4	Low	70.9	Confident	192 Å²	192	52.8 Å²	52.8	90%	0.897	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-10	-176.9	-63.2	-160.2	140	0	0	114.9	S817	S817-E819 VanDerWaalsContact C-N 3.3Å; S817-E819 PolarHBondContact O-N 2.87Å
820	T	48	Very low	71.1	Confident	103 Å²	103	53.9 Å²	53.9	63%	0.632	28%	0.279	S	S	*	.	S	Bend	trans	-108.2	3.9	-168.5	56.9	0	0	0	0	115.8	S817	S817-T820 PolarHBondContact O-OG1 3.07Å
821	A	50.6	Low	71.5	Confident	26 Å²	26	55.1 Å²	55.1	22%	0.215	29%	0.293	C	S	.	.			trans	-115.8	99.1	-170.7	0	0	0	0	0	113.8	K741 T823	K741-A821 HydrophobicContact CD-CB 3.81Å; A821-T823 PolarHBondContact O-N 3.02Å; A821-T823 PolarHBondContact O-OG1 3.11Å; A821-T823 VanDerWaalsContact O-OG1 3.06Å
822	D	52.7	Low	71.7	Confident	173 Å²	173	54.4 Å²	54.4	93%	0.925	29%	0.288	S	S	*	.			trans	-59.1	96.2	162	-98.3	-25.9	0	0	0	109.4
823	T	58.7	Low	71.9	Confident	47 Å²	47	54.4 Å²	54.4	29%	0.288	29%	0.288	S	S	.	.			trans	-110.3	128.2	177.8	22.3	0	0	0	0	108.6	N349 A821 T825	N349-T823 PolarHBondContact ND2-OG1 2.83Å; A821-T823 PolarHBondContact O-N 3.02Å; A821-T823 PolarHBondContact O-OG1 3.11Å; A821-T823 VanDerWaalsContact O-OG1 3.06Å; T823-T825 PolarHBondContact O-N 3.39Å; T823-T825 VanDerWaalsContact O-N 3.13Å
824	D	65.4	Low	72.3	Confident	36 Å²	36	58 Å²	58	19%	0.193	30%	0.303	C	S	.	.			trans	-55.5	118.8	179.6	-67.9	-74.9	0	0	0	109	R261 K264 V265 Y887	R261-D824 VanDerWaalsContact CD-OD1 3.22Å; R261-D824 WeakPolarHBondContact CD-OD1 3.36Å; R261-D824 WeakPolarHBondContact CG-OD1 3.13Å; R261-D824 IonicContact CZ-OD1 3.51Å; R261-D824 IonicContact NE-OD1 3.75Å; R261-D824 PolarHBondContact NE-OD1 3.39Å; K264-D824 IonicContact NZ-OD2 3.3Å; K264-D824 PolarHBondContact NZ-OD2 2.99Å; V265-D824 HydrophobicContact CG2-CB 4.21Å; D824-Y887 WeakPolarHBondContact O-CE1 3.09Å; D824-Y887 PolarHBondContact O-OH 3.05Å
825	T	72.1	Confident	72.7	Confident	53 Å²	53	60.7 Å²	60.7	33%	0.325	32%	0.317	S	S	.	.			trans	-91.9	165.4	-178.1	67.5	0	0	0	0	112.5	T823 D827 Q828 V829	T823-T825 PolarHBondContact O-N 3.39Å; T823-T825 VanDerWaalsContact O-N 3.13Å; T825-D827 VanDerWaalsContact C-N 3.28Å; T825-D827 PolarHBondContact O-N 2.76Å; T825-Q828 PolarHBondContact O-N 3.07Å; T825-Q828 WeakPolarHBondContact OG1-CG 3.4Å; T825-Q828 PolarHBondContact OG1-N 2.84Å; T825-V829 WeakPolarHBondContact O-CG2 3.34Å; T825-V829 PolarHBondContact O-N 3.41Å
826	A	78	Confident	72.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-53.7	-44.7	173.1	0	0	0	0	0	111.8	Q828 V829 M830 Y887 E889	A826-Q828 PolarHBondContact O-N 3.2Å; A826-V829 CarbonylContact O-C 3.42Å; A826-V829 PolarHBondContact O-N 3Å; A826-V829 VanDerWaalsContact O-N 3.16Å; A826-M830 WeakPolarHBondContact O-CB 3.32Å; A826-M830 VanDerWaalsContact O-CG 3.3Å; A826-M830 WeakPolarHBondContact O-CG 3.4Å; A826-M830 PolarHBondContact O-N 3.09Å; A826-Y887 HydrophobicContact CB-CD2 3.85Å; A826-Y887 HydrophobicContact CB-CG 4.26Å; A826-E889 VanDerWaalsContact CB-OE2 3.24Å; A826-E889 WeakPolarHBondContact CB-OE2 3.4Å
827	D	78.3	Confident	73.1	Confident	113 Å²	113	58.1 Å²	58.1	60%	0.604	31%	0.305	S	S	*	.	H	α-helix	trans	-56.4	-43.2	173.9	-82.4	-35.4	0	0	0	113.4	T825 V829 M830 A831	T825-D827 VanDerWaalsContact C-N 3.28Å; T825-D827 PolarHBondContact O-N 2.76Å; D827-V829 VanDerWaalsContact C-N 3.31Å; D827-V829 PolarHBondContact O-N 2.82Å; D827-M830 PolarHBondContact O-N 2.91Å; D827-A831 VanDerWaalsContact O-CB 3.3Å; D827-A831 WeakPolarHBondContact O-CB 3.41Å; D827-A831 PolarHBondContact O-N 3.02Å
828	Q	79.9	Confident	73.5	Confident	69 Å²	69	60.6 Å²	60.6	32%	0.322	33%	0.331	S	S	.	.	H	α-helix	trans	-68.1	-33.6	178.7	-68.8	-178.9	17.1	0	0	111.9	T825 A826 S832	T825-Q828 PolarHBondContact O-N 3.07Å; T825-Q828 WeakPolarHBondContact OG1-CG 3.4Å; T825-Q828 PolarHBondContact OG1-N 2.84Å; A826-Q828 PolarHBondContact O-N 3.2Å; Q828-S832 WeakPolarHBondContact O-CB 3.27Å; Q828-S832 PolarHBondContact O-N 3.45Å; Q828-S832 VanDerWaalsContact O-N 3.09Å; Q828-S832 PolarHBondContact O-OG 3.19Å
829	V	83.9	Confident	74.2	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-71.8	-43.9	174.1	177.5	0	0	0	0	110.7	V265 T825 A826 D827 A831 S832 F833 Y887	V265-V829 HydrophobicContact CB-CG2 4.43Å; V265-V829 HydrophobicContact CG1-CG2 4.12Å; V265-V829 HydrophobicContact CG2-CG2 3.91Å; T825-V829 WeakPolarHBondContact O-CG2 3.34Å; T825-V829 PolarHBondContact O-N 3.41Å; A826-V829 CarbonylContact O-C 3.42Å; A826-V829 PolarHBondContact O-N 3Å; A826-V829 VanDerWaalsContact O-N 3.16Å; D827-V829 VanDerWaalsContact C-N 3.31Å; D827-V829 PolarHBondContact O-N 2.82Å; V829-A831 PolarHBondContact O-N 2.85Å; V829-S832 WeakPolarHBondContact O-CA 3.25Å; V829-S832 WeakPolarHBondContact O-CB 3.49Å; V829-S832 PolarHBondContact O-N 3.31Å; V829-S832 VanDerWaalsContact O-N 3.08Å; V829-F833 HydrophobicContact CG1-CD2 3.8Å; V829-F833 HydrophobicContact CG1-CE2 3.63Å; V829-F833 WeakPolarHBondContact O-CD2 3.33Å; V829-F833 PolarHBondContact O-N 3.19Å; V829-Y887 HydrophobicContact CG2-CE2 4.13Å
830	M	85.1	Confident	75.8	Confident	42 Å²	42	52.6 Å²	52.6	21%	0.207	30%	0.303	C	S	.	.	H	α-helix	trans	-58.8	-44.6	173.2	-73.4	174.4	53.5	0	0	112.1	A826 D827 S832 F833 K834 Y879 M880	A826-M830 WeakPolarHBondContact O-CB 3.32Å; A826-M830 VanDerWaalsContact O-CG 3.3Å; A826-M830 WeakPolarHBondContact O-CG 3.4Å; A826-M830 PolarHBondContact O-N 3.09Å; D827-M830 PolarHBondContact O-N 2.91Å; M830-S832 VanDerWaalsContact C-N 3.27Å; M830-S832 PolarHBondContact O-N 2.95Å; M830-F833 PolarHBondContact O-N 3.15Å; M830-K834 WeakPolarHBondContact O-CB 3.26Å; M830-K834 PolarHBondContact O-N 3.49Å; M830-Y879 WeakPolarHBondContact O-CE2 3.29Å; M830-M880 HydrophobicContact CE-CB 3.98Å; M830-M880 HydrophobicContact CE-CG 3.98Å; M830-M880 HydrophobicContact CE-SD 4.22Å
831	A	83.5	Confident	77.7	Confident	52 Å²	52	50.6 Å²	50.6	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-36.6	174.9	0	0	0	0	0	111.7	D827 V829 K834 I835	D827-A831 VanDerWaalsContact O-CB 3.3Å; D827-A831 WeakPolarHBondContact O-CB 3.41Å; D827-A831 PolarHBondContact O-N 3.02Å; V829-A831 PolarHBondContact O-N 2.85Å; A831-K834 PolarHBondContact O-N 3.26Å; A831-I835 WeakPolarHBondContact O-CG1 3.41Å; A831-I835 PolarHBondContact O-N 2.69Å; A831-I835 VanDerWaalsContact O-N 3.13Å
832	S	85.1	Confident	79.6	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-68.5	-44.3	176.6	-56.1	0	0	0	0	111.5	R261 Q828 V829 M830 K834 I835 L836	R261-S832 WeakPolarHBondContact CD-OG 3.46Å; R261-S832 PolarHBondContact NH1-OG 3.18Å; Q828-S832 WeakPolarHBondContact O-CB 3.27Å; Q828-S832 PolarHBondContact O-N 3.45Å; Q828-S832 VanDerWaalsContact O-N 3.09Å; Q828-S832 PolarHBondContact O-OG 3.19Å; V829-S832 WeakPolarHBondContact O-CA 3.25Å; V829-S832 WeakPolarHBondContact O-CB 3.49Å; V829-S832 PolarHBondContact O-N 3.31Å; V829-S832 VanDerWaalsContact O-N 3.08Å; M830-S832 VanDerWaalsContact C-N 3.27Å; M830-S832 PolarHBondContact O-N 2.95Å; S832-K834 VanDerWaalsContact C-N 3.32Å; S832-K834 PolarHBondContact O-N 3.16Å; S832-I835 WeakPolarHBondContact O-CB 3.4Å; S832-I835 PolarHBondContact O-N 3.48Å; S832-L836 PolarHBondContact O-N 2.94Å
833	F	88.4	Confident	81.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-36.9	173.9	-82.2	-66.3	0	0	0	112.2	I262 V829 M830 I835 L836 A837 I843 L848 M864 Y879 F882	I262-F833 HydrophobicContact CB-CZ 4.45Å; I262-F833 HydrophobicContact CD1-CB 4.44Å; I262-F833 HydrophobicContact CD1-CD1 3.58Å; I262-F833 HydrophobicContact CD1-CD2 4.1Å; I262-F833 HydrophobicContact CD1-CE1 3.73Å; I262-F833 HydrophobicContact CD1-CE2 4.25Å; I262-F833 HydrophobicContact CD1-CG 3.77Å; I262-F833 HydrophobicContact CD1-CZ 4.07Å; I262-F833 HydrophobicContact CG1-CD1 4.4Å; I262-F833 HydrophobicContact CG1-CD2 4.24Å; I262-F833 HydrophobicContact CG1-CE1 4.2Å; I262-F833 HydrophobicContact CG1-CE2 4.05Å; I262-F833 HydrophobicContact CG1-CG 4.4Å; I262-F833 HydrophobicContact CG1-CZ 4.02Å; I262-F833 HydrophobicContact CG2-CE1 3.83Å; I262-F833 HydrophobicContact CG2-CE2 4.29Å; I262-F833 HydrophobicContact CG2-CZ 3.56Å; V829-F833 HydrophobicContact CG1-CD2 3.8Å; V829-F833 HydrophobicContact CG1-CE2 3.63Å; V829-F833 WeakPolarHBondContact O-CD2 3.33Å; V829-F833 PolarHBondContact O-N 3.19Å; M830-F833 PolarHBondContact O-N 3.15Å; F833-I835 VanDerWaalsContact C-N 3.29Å; F833-I835 PolarHBondContact O-N 3.02Å; F833-L836 PolarHBondContact O-N 3.18Å; F833-L836 VanDerWaalsContact O-N 3.15Å; F833-A837 VanDerWaalsContact O-CB 3.32Å; F833-A837 WeakPolarHBondContact O-CB 3.48Å; F833-A837 PolarHBondContact O-N 3.15Å; F833-I843 HydrophobicContact CD1-CD1 4.33Å; F833-L848 HydrophobicContact CE1-CD2 4.08Å; F833-M864 HydrophobicContact CD1-CE 4.09Å; F833-M864 HydrophobicContact CE1-CE 3.51Å; F833-M864 HydrophobicContact CE2-CE 4.09Å; F833-M864 HydrophobicContact CZ-CE 3.51Å; F833-Y879 HydrophobicContact CB-CD1 4.15Å; F833-Y879 HydrophobicContact CB-CD2 3.3Å; F833-Y879 HydrophobicContact CB-CE2 3.86Å; F833-Y879 HydrophobicContact CB-CG 3.49Å; F833-Y879 VanDerWaalsContact CB-CG 3.49Å; F833-Y879 HydrophobicContact CD2-CD2 4.42Å; F833-Y879 HydrophobicContact CG-CD2 4.11Å; F833-Y879 HydrophobicContact CG-CG 4.06Å; F833-F882 HydrophobicContact CE2-CD1 4.18Å; F833-F882 HydrophobicContact CE2-CE1 4.22Å; F833-F882 HydrophobicContact CZ-CD1 4.34Å; F833-F882 HydrophobicContact CZ-CE1 4.12Å
834	K	86.8	Confident	82.8	Confident	75 Å²	75	41.6 Å²	41.6	33%	0.326	23%	0.234	S	C	.	.	H	α-helix	trans	-60.9	-36	174.8	-173.8	167.5	179.2	171.3	0	112.7	M830 A831 S832 A837 G838 D839 Y879	M830-K834 WeakPolarHBondContact O-CB 3.26Å; M830-K834 PolarHBondContact O-N 3.49Å; A831-K834 PolarHBondContact O-N 3.26Å; S832-K834 VanDerWaalsContact C-N 3.32Å; S832-K834 PolarHBondContact O-N 3.16Å; K834-A837 CarbonylContact O-C 3.35Å; K834-A837 PolarHBondContact O-N 3.38Å; K834-G838 PolarHBondContact O-N 2.75Å; K834-D839 WeakPolarHBondContact CE-O 3.26Å; K834-D839 VanDerWaalsContact CE-OD1 3.26Å; K834-D839 WeakPolarHBondContact CE-OD1 3.48Å; K834-D839 PolarHBondContact O-N 3.43Å; K834-Y879 HydrophobicContact CB-CE2 4.38Å; K834-Y879 WeakPolarHBondContact CB-OH 3.45Å
835	I	81.9	Confident	83.9	Confident	75 Å²	75	43.1 Å²	43.1	39%	0.385	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-46.5	173	-67.9	163.6	0	0	0	110.6	K254 A258 A831 S832 F833 A837 G838	K254-I835 HydrophobicContact CB-CG2 4.34Å; A258-I835 HydrophobicContact CB-CB 4.07Å; A258-I835 HydrophobicContact CB-CD1 4.27Å; A258-I835 HydrophobicContact CB-CG2 4.05Å; A831-I835 WeakPolarHBondContact O-CG1 3.41Å; A831-I835 PolarHBondContact O-N 2.69Å; A831-I835 VanDerWaalsContact O-N 3.13Å; S832-I835 WeakPolarHBondContact O-CB 3.4Å; S832-I835 PolarHBondContact O-N 3.48Å; F833-I835 VanDerWaalsContact C-N 3.29Å; F833-I835 PolarHBondContact O-N 3.02Å; I835-A837 VanDerWaalsContact C-N 3.28Å; I835-A837 PolarHBondContact O-N 3.05Å; I835-G838 PolarHBondContact O-N 2.81Å; I835-G838 VanDerWaalsContact O-N 3.07Å
836	L	82	Confident	84.5	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-35.4	176.4	-60.2	-170.6	0	0	0	112.4	A255 A258 A259 I262 S832 F833 G838 I843 E851 L852	A255-L836 HydrophobicContact CB-CD2 4.26Å; A258-L836 HydrophobicContact CB-CD2 4.24Å; A259-L836 HydrophobicContact CB-CD2 4.22Å; I262-L836 HydrophobicContact CD1-CD1 3.49Å; I262-L836 VanDerWaalsContact CD1-CD1 3.49Å; I262-L836 HydrophobicContact CD1-CG 4.14Å; S832-L836 PolarHBondContact O-N 2.94Å; F833-L836 PolarHBondContact O-N 3.18Å; F833-L836 VanDerWaalsContact O-N 3.15Å; L836-G838 PolarHBondContact O-N 3.09Å; L836-I843 HydrophobicContact CB-CD1 3.87Å; L836-E851 HydrophobicContact CD1-CB 4.23Å; L836-E851 HydrophobicContact CD2-CB 3.92Å; L836-E851 HydrophobicContact CD2-CG 4.19Å; L836-L852 HydrophobicContact CD1-CD2 3.99Å; L836-L852 HydrophobicContact CD1-CG 4.35Å
837	A	84	Confident	84.8	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.008	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	1.8	174.8	0	0	0	0	0	113.8	F833 K834 I835 D839 K840 Y842 I843 Y879	F833-A837 VanDerWaalsContact O-CB 3.32Å; F833-A837 WeakPolarHBondContact O-CB 3.48Å; F833-A837 PolarHBondContact O-N 3.15Å; K834-A837 CarbonylContact O-C 3.35Å; K834-A837 PolarHBondContact O-N 3.38Å; I835-A837 VanDerWaalsContact C-N 3.28Å; I835-A837 PolarHBondContact O-N 3.05Å; A837-D839 PolarHBondContact O-N 2.69Å; A837-K840 HydrophobicContact CB-CB 4.38Å; A837-K840 WeakPolarHBondContact O-CB 3.5Å; A837-K840 WeakPolarHBondContact O-CE 3.48Å; A837-K840 WeakPolarHBondContact O-CG 3.43Å; A837-K840 PolarHBondContact O-N 2.86Å; A837-Y842 WeakPolarHBondContact CB-O 3.36Å; A837-I843 HydrophobicContact CB-CB 4.22Å; A837-I843 HydrophobicContact CB-CD1 4.48Å; A837-I843 HydrophobicContact CB-CG1 4.34Å; A837-Y879 HydrophobicContact CB-CE1 4.09Å
838	G	80.6	Confident	85.1	Confident	57 Å²	57	42.4 Å²	42.4	59%	0.588	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	47.1	-179.7	0	0	0	0	0	113.2	K834 I835 L836 K840	K834-G838 PolarHBondContact O-N 2.75Å; I835-G838 PolarHBondContact O-N 2.81Å; I835-G838 VanDerWaalsContact O-N 3.07Å; L836-G838 PolarHBondContact O-N 3.09Å; G838-K840 PolarHBondContact O-N 3.06Å
839	D	80.9	Confident	85.4	Confident	120 Å²	120	44.5 Å²	44.5	64%	0.642	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	4.2	-178	-73.9	-57.4	0	0	0	117	K834 A837	K834-D839 WeakPolarHBondContact CE-O 3.26Å; K834-D839 VanDerWaalsContact CE-OD1 3.26Å; K834-D839 WeakPolarHBondContact CE-OD1 3.48Å; K834-D839 PolarHBondContact O-N 3.43Å; A837-D839 PolarHBondContact O-N 2.69Å
840	K	86	Confident	85.3	Confident	55 Å²	55	52.3 Å²	52.3	24%	0.239	27%	0.269	C	S	.	.			trans	-71.6	152.5	170.3	-58.7	175.7	-63	170.6	0	111.3	A837 G838 Y842 E847 Y879	A837-K840 HydrophobicContact CB-CB 4.38Å; A837-K840 WeakPolarHBondContact O-CB 3.5Å; A837-K840 WeakPolarHBondContact O-CE 3.48Å; A837-K840 WeakPolarHBondContact O-CG 3.43Å; A837-K840 PolarHBondContact O-N 2.86Å; G838-K840 PolarHBondContact O-N 3.06Å; K840-Y842 HydrophobicContact CB-CD1 4.42Å; K840-Y842 HydrophobicContact CB-CE1 4.35Å; K840-Y842 HydrophobicContact CD-CE1 4.41Å; K840-Y842 HydrophobicContact CD-CE2 3.92Å; K840-Y842 PolarHBondContact O-N 2.98Å; K840-E847 IonicContact NZ-OE1 2.64Å; K840-E847 PolarHBondContact NZ-OE1 2.95Å; K840-E847 IonicContact NZ-OE2 3.41Å; K840-E847 PolarHBondContact NZ-OE2 3.3Å; K840-Y879 PolarHBondContact O-OH 3.01Å; K840-Y879 VanDerWaalsContact O-OH 3.04Å
841	N	86.9	Confident	85.1	Confident	61 Å²	61	53 Å²	53	33%	0.326	27%	0.272	S	S	.	.	S	Bend	trans	-79	0.8	175.5	-62.1	-39.1	0	0	0	113.9	Y867 M880	N841-Y867 HydrophobicContact CB-CE2 4.38Å; N841-Y867 WeakPolarHBondContact O-CE2 3.38Å; N841-M880 HydrophobicContact CB-CE 3.84Å
842	Y	90.9	Very high	84.9	Confident	30 Å²	30	51.1 Å²	51.1	12%	0.118	25%	0.254	C	S	.	.	S	Bend	trans	-138.1	154.1	179.7	63.8	-96.2	0	0	0	110.1	A837 K840 T844 Y867 D871 V873 A876	A837-Y842 WeakPolarHBondContact CB-O 3.36Å; K840-Y842 HydrophobicContact CB-CD1 4.42Å; K840-Y842 HydrophobicContact CB-CE1 4.35Å; K840-Y842 HydrophobicContact CD-CE1 4.41Å; K840-Y842 HydrophobicContact CD-CE2 3.92Å; K840-Y842 PolarHBondContact O-N 2.98Å; Y842-T844 HydrophobicContact CD2-CG2 4.42Å; Y842-T844 HydrophobicContact CE2-CG2 4.3Å; Y842-Y867 HydrophobicContact CD1-CD1 4.09Å; Y842-Y867 HydrophobicContact CD1-CE1 4.06Å; Y842-Y867 HydrophobicContact CG-CD1 4.21Å; Y842-D871 HydrophobicContact CE1-CB 4.47Å; Y842-D871 VanDerWaalsContact CE1-O 3.27Å; Y842-D871 WeakPolarHBondContact CE1-O 3.45Å; Y842-V873 HydrophobicContact CD2-CG2 4.11Å; Y842-V873 HydrophobicContact CE2-CG2 3.43Å; Y842-V873 VanDerWaalsContact CE2-CG2 3.43Å; Y842-A876 HydrophobicContact CD2-CB 3.73Å; Y842-A876 HydrophobicContact CE2-CB 4.44Å; Y842-A876 HydrophobicContact CG-CB 3.96Å
843	I	89.8	Confident	84.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.4	173.9	-162.8	161.6	0	0	0	110.2	F833 L836 A837 E847 L848 M864 L877 Y879	F833-I843 HydrophobicContact CD1-CD1 4.33Å; L836-I843 HydrophobicContact CB-CD1 3.87Å; A837-I843 HydrophobicContact CB-CB 4.22Å; A837-I843 HydrophobicContact CB-CD1 4.48Å; A837-I843 HydrophobicContact CB-CG1 4.34Å; I843-E847 HydrophobicContact CG1-CB 3.93Å; I843-L848 HydrophobicContact CD1-CD2 3.71Å; I843-L848 HydrophobicContact CD1-CG 4.06Å; I843-L848 HydrophobicContact CG1-CD2 4.33Å; I843-L848 HydrophobicContact CG1-CG 4.16Å; I843-L848 HydrophobicContact CG2-CD1 4.23Å; I843-L848 HydrophobicContact CG2-CD2 4.31Å; I843-L848 HydrophobicContact CG2-CG 4.22Å; I843-M864 HydrophobicContact CG2-SD 4.11Å; I843-L877 HydrophobicContact CG2-CB 4.2Å; I843-L877 PolarHBondContact N-O 3.45Å; I843-L877 VanDerWaalsContact N-O 3.07Å; I843-L877 WeakPolarHBondContact O-CB 3.3Å; I843-L877 PolarHBondContact O-N 3.41Å; I843-Y879 HydrophobicContact CB-CD1 4.07Å; I843-Y879 HydrophobicContact CG2-CD1 4.11Å
844	T	89.6	Confident	84.6	Confident	27 Å²	27	58.7 Å²	58.7	17%	0.166	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	157.5	177.4	61.3	0	0	0	0	111.9	Y842 D846 E847 L848 V873	Y842-T844 HydrophobicContact CD2-CG2 4.42Å; Y842-T844 HydrophobicContact CE2-CG2 4.3Å; T844-D846 PolarHBondContact O-N 2.8Å; T844-E847 WeakPolarHBondContact CB-OE2 3.43Å; T844-E847 PolarHBondContact N-OE2 3.14Å; T844-E847 PolarHBondContact O-N 2.78Å; T844-E847 VanDerWaalsContact O-N 3.11Å; T844-E847 VanDerWaalsContact OG1-CG 3.26Å; T844-E847 WeakPolarHBondContact OG1-CG 3.28Å; T844-E847 PolarHBondContact OG1-N 2.93Å; T844-E847 PolarHBondContact OG1-OE2 2.89Å; T844-L848 PolarHBondContact O-N 3.48Å; T844-V873 HydrophobicContact CG2-CG2 4.27Å
845	M	89.2	Confident	84.5	Confident	68 Å²	68	59.6 Å²	59.6	34%	0.335	31%	0.312	S	S	.	.	H	α-helix	trans	-56.8	-37.1	177.7	-61.4	-178.8	-177.8	0	0	112.9	R849 I861 L877	M845-R849 WeakPolarHBondContact O-CB 3.5Å; M845-R849 WeakPolarHBondContact O-CG 3.49Å; M845-R849 PolarHBondContact O-N 2.82Å; M845-I861 HydrophobicContact CB-CD1 3.92Å; M845-I861 HydrophobicContact CB-CG1 4.36Å; M845-I861 HydrophobicContact CE-CG2 4.11Å; M845-I861 HydrophobicContact CG-CD1 4.16Å; M845-I861 HydrophobicContact CG-CG1 4.13Å; M845-I861 HydrophobicContact CG-CG2 4.27Å; M845-I861 HydrophobicContact SD-CG2 4.17Å; M845-L877 HydrophobicContact CE-CD2 4.44Å; M845-L877 HydrophobicContact CG-CD1 4.04Å
846	D	83.3	Confident	84.8	Confident	120 Å²	120	56.7 Å²	56.7	64%	0.642	30%	0.296	S	S	*	.	H	α-helix	trans	-73.7	-29.3	179.2	-64.9	-33.5	0	0	0	112.4	T844 R850	T844-D846 PolarHBondContact O-N 2.8Å; D846-R850 VanDerWaalsContact O-CB 3.24Å; D846-R850 WeakPolarHBondContact O-CB 3.37Å; D846-R850 PolarHBondContact O-N 3.34Å; D846-R850 VanDerWaalsContact O-N 3.09Å
847	E	84.1	Confident	85	Confident	31 Å²	31	56.4 Å²	56.4	15%	0.145	30%	0.295	C	S	.	.	H	α-helix	trans	-69.7	-45.4	172.1	-73.9	162.4	154.6	0	0	110.8	K840 I843 T844 R849 R850 E851	K840-E847 IonicContact NZ-OE1 2.64Å; K840-E847 PolarHBondContact NZ-OE1 2.95Å; K840-E847 IonicContact NZ-OE2 3.41Å; K840-E847 PolarHBondContact NZ-OE2 3.3Å; I843-E847 HydrophobicContact CG1-CB 3.93Å; T844-E847 WeakPolarHBondContact CB-OE2 3.43Å; T844-E847 PolarHBondContact N-OE2 3.14Å; T844-E847 PolarHBondContact O-N 2.78Å; T844-E847 VanDerWaalsContact O-N 3.11Å; T844-E847 VanDerWaalsContact OG1-CG 3.26Å; T844-E847 WeakPolarHBondContact OG1-CG 3.28Å; T844-E847 PolarHBondContact OG1-N 2.93Å; T844-E847 PolarHBondContact OG1-OE2 2.89Å; E847-R849 PolarHBondContact O-N 2.97Å; E847-R850 PolarHBondContact O-N 2.86Å; E847-E851 WeakPolarHBondContact O-CG 2.99Å; E847-E851 PolarHBondContact O-N 3.31Å
848	L	84.8	Confident	85.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-57.3	-47.6	173.6	-71.2	170.2	0	0	0	111.8	F833 I843 T844 R850 E851 L852 A857 C860 I861 M864 L877	F833-L848 HydrophobicContact CE1-CD2 4.08Å; I843-L848 HydrophobicContact CD1-CD2 3.71Å; I843-L848 HydrophobicContact CD1-CG 4.06Å; I843-L848 HydrophobicContact CG1-CD2 4.33Å; I843-L848 HydrophobicContact CG1-CG 4.16Å; I843-L848 HydrophobicContact CG2-CD1 4.23Å; I843-L848 HydrophobicContact CG2-CD2 4.31Å; I843-L848 HydrophobicContact CG2-CG 4.22Å; T844-L848 PolarHBondContact O-N 3.48Å; L848-R850 VanDerWaalsContact C-N 3.26Å; L848-R850 PolarHBondContact O-N 3.39Å; L848-E851 PolarHBondContact O-N 2.93Å; L848-L852 HydrophobicContact CD2-CD1 3.74Å; L848-L852 VanDerWaalsContact O-CB 3.32Å; L848-L852 WeakPolarHBondContact O-CB 3.39Å; L848-L852 PolarHBondContact O-N 2.8Å; L848-A857 HydrophobicContact CB-CB 4.39Å; L848-C860 HydrophobicContact CD1-CB 4.01Å; L848-C860 HydrophobicContact CD2-CB 4.25Å; L848-I861 HydrophobicContact CD1-CG1 3.78Å; L848-M864 HydrophobicContact CD1-SD 4.08Å; L848-L877 HydrophobicContact CD1-CD1 3.77Å
849	R	85.7	Confident	85.7	Confident	112 Å²	112	58.7 Å²	58.7	42%	0.423	29%	0.289	S	S	.	.	H	α-helix	trans	-67.9	-20	178.4	-73.3	177.3	177.8	123.7	8.6	114.7	M845 E847 A857 E858 I861	M845-R849 WeakPolarHBondContact O-CB 3.5Å; M845-R849 WeakPolarHBondContact O-CG 3.49Å; M845-R849 PolarHBondContact O-N 2.82Å; E847-R849 PolarHBondContact O-N 2.97Å; R849-A857 HydrophobicContact CG-CB 4.05Å; R849-E858 IonicContact CZ-OE1 2.7Å; R849-E858 IonicContact CZ-OE2 3.32Å; R849-E858 IonicContact NE-OE1 3.44Å; R849-E858 PolarHBondContact NE-OE1 3.47Å; R849-E858 VanDerWaalsContact NH2-CD 3.29Å; R849-E858 IonicContact NH2-OE1 2.7Å; R849-E858 PolarHBondContact NH2-OE1 3.1Å; R849-E858 IonicContact NH2-OE2 2.74Å; R849-E858 PolarHBondContact NH2-OE2 2.83Å; R849-I861 HydrophobicContact CG-CD1 4.27Å
850	R	82.5	Confident	86.1	Confident	166 Å²	166	53 Å²	53	63%	0.626	26%	0.259	S	S	*	.	H	α-helix	trans	-86.6	-38.9	178.1	-170.9	-177.5	74.7	-138.5	-4.2	112	D846 E847 L848	D846-R850 VanDerWaalsContact O-CB 3.24Å; D846-R850 WeakPolarHBondContact O-CB 3.37Å; D846-R850 PolarHBondContact O-N 3.34Å; D846-R850 VanDerWaalsContact O-N 3.09Å; E847-R850 PolarHBondContact O-N 2.86Å; L848-R850 VanDerWaalsContact C-N 3.26Å; L848-R850 PolarHBondContact O-N 3.39Å
851	E	80.2	Confident	86.3	Confident	57 Å²	57	51.7 Å²	51.7	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-99.3	-20.4	-172.3	-53.7	-60.1	154.1	0	0	114	A259 L836 E847 L848	A259-E851 WeakPolarHBondContact CB-O 3.24Å; L836-E851 HydrophobicContact CD1-CB 4.23Å; L836-E851 HydrophobicContact CD2-CB 3.92Å; L836-E851 HydrophobicContact CD2-CG 4.19Å; E847-E851 WeakPolarHBondContact O-CG 2.99Å; E847-E851 PolarHBondContact O-N 3.31Å; L848-E851 PolarHBondContact O-N 2.93Å
852	L	81.2	Confident	86.5	Confident	11 Å²	11	52.6 Å²	52.6	6%	0.058	27%	0.27	C	S	.	.	S	Bend	trans	-112.9	155.2	179.7	-57.5	178.2	0	0	0	112.3	A259 I262 L836 L848 Q856 A857	A259-L852 HydrophobicContact CB-CD2 3.97Å; I262-L852 HydrophobicContact CB-CD2 4.34Å; I262-L852 HydrophobicContact CG2-CD1 4.09Å; I262-L852 HydrophobicContact CG2-CD2 3.96Å; L836-L852 HydrophobicContact CD1-CD2 3.99Å; L836-L852 HydrophobicContact CD1-CG 4.35Å; L848-L852 HydrophobicContact CD2-CD1 3.74Å; L848-L852 VanDerWaalsContact O-CB 3.32Å; L848-L852 WeakPolarHBondContact O-CB 3.39Å; L848-L852 PolarHBondContact O-N 2.8Å; L852-Q856 HydrophobicContact CB-CB 4.43Å; L852-A857 HydrophobicContact CB-CB 4.3Å
853	P	82.7	Confident	86.4	Confident	58 Å²	58	56.3 Å²	56.3	38%	0.377	28%	0.284	S	S	.	.			trans	-53.6	147.5	166.4	-26	36.2	0	0	0	112.2	C263 D855 Q856 A857	C263-P853 WeakPolarHBondContact SG-CD 3.5Å; P853-D855 VanDerWaalsContact C-N 3.33Å; P853-D855 VanDerWaalsContact CB-OD1 3.26Å; P853-D855 WeakPolarHBondContact CB-OD1 3.36Å; P853-D855 PolarHBondContact O-N 3.17Å; P853-Q856 HydrophobicContact CB-CG 4.27Å; P853-Q856 HydrophobicContact CG-CG 4.45Å; P853-Q856 PolarHBondContact O-N 3.45Å; P853-Q856 VanDerWaalsContact O-N 3.07Å; P853-A857 WeakPolarHBondContact O-CB 3.46Å; P853-A857 PolarHBondContact O-N 3.23Å
854	P	83.4	Confident	86.4	Confident	102 Å²	102	56.8 Å²	56.8	66%	0.662	29%	0.286	S	S	*	.	H	α-helix	trans	-57.9	-39.4	-171.3	-26.8	35.3	0	0	0	114.7	A857 E858	P854-A857 PolarHBondContact O-N 3.44Å; P854-E858 WeakPolarHBondContact O-CG 3.13Å; P854-E858 PolarHBondContact O-N 3.06Å
855	D	84.3	Confident	86.5	Confident	95 Å²	95	57.6 Å²	57.6	51%	0.508	30%	0.296	S	S	.	.	H	α-helix	trans	-61.9	-45.3	175.8	56.8	-54.6	0	0	0	112	P853 Y859	P853-D855 VanDerWaalsContact C-N 3.33Å; P853-D855 VanDerWaalsContact CB-OD1 3.26Å; P853-D855 WeakPolarHBondContact CB-OD1 3.36Å; P853-D855 PolarHBondContact O-N 3.17Å; D855-Y859 VanDerWaalsContact O-CB 3.26Å; D855-Y859 WeakPolarHBondContact O-CB 3.41Å; D855-Y859 PolarHBondContact O-N 2.8Å
856	Q	87.7	Confident	86.6	Confident	13 Å²	13	59 Å²	59	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-71.8	-35.1	178.8	-57.2	-54	-42.3	0	0	112	L266 L852 P853 C860	L266-Q856 HydrophobicContact CD1-CB 4.05Å; L852-Q856 HydrophobicContact CB-CB 4.43Å; P853-Q856 HydrophobicContact CB-CG 4.27Å; P853-Q856 HydrophobicContact CG-CG 4.45Å; P853-Q856 PolarHBondContact O-N 3.45Å; P853-Q856 VanDerWaalsContact O-N 3.07Å; Q856-C860 PolarHBondContact O-N 3Å
857	A	87	Confident	86.9	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-52	174.5	0	0	0	0	0	111.7	L848 R849 L852 P853 P854 Y859 C860 I861	L848-A857 HydrophobicContact CB-CB 4.39Å; R849-A857 HydrophobicContact CG-CB 4.05Å; L852-A857 HydrophobicContact CB-CB 4.3Å; P853-A857 WeakPolarHBondContact O-CB 3.46Å; P853-A857 PolarHBondContact O-N 3.23Å; P854-A857 PolarHBondContact O-N 3.44Å; A857-Y859 VanDerWaalsContact C-N 3.31Å; A857-Y859 PolarHBondContact O-N 3.48Å; A857-C860 PolarHBondContact O-N 2.91Å; A857-I861 WeakPolarHBondContact O-CD1 3.28Å; A857-I861 VanDerWaalsContact O-CG1 3.22Å; A857-I861 WeakPolarHBondContact O-CG1 3.48Å; A857-I861 PolarHBondContact O-N 3.44Å
858	E	90.5	Very high	87	Confident	86 Å²	86	60.2 Å²	60.2	40%	0.402	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-34.3	177.8	-62.4	-52.6	143.4	0	0	112	R849 P854 I861 A862	R849-E858 IonicContact CZ-OE1 2.7Å; R849-E858 IonicContact CZ-OE2 3.32Å; R849-E858 IonicContact NE-OE1 3.44Å; R849-E858 PolarHBondContact NE-OE1 3.47Å; R849-E858 VanDerWaalsContact NH2-CD 3.29Å; R849-E858 IonicContact NH2-OE1 2.7Å; R849-E858 PolarHBondContact NH2-OE1 3.1Å; R849-E858 IonicContact NH2-OE2 2.74Å; R849-E858 PolarHBondContact NH2-OE2 2.83Å; P854-E858 WeakPolarHBondContact O-CG 3.13Å; P854-E858 PolarHBondContact O-N 3.06Å; E858-I861 PolarHBondContact O-N 2.96Å; E858-A862 WeakPolarHBondContact O-CB 3.24Å; E858-A862 PolarHBondContact O-N 3.44Å
859	Y	89.5	Confident	86.9	Confident	20 Å²	20	61.1 Å²	61.1	8%	0.078	33%	0.329	C	S	.	.	H	α-helix	trans	-60	-47.2	174.1	-179.4	-90.8	0	0	0	112.6	L266 N269 Q270 E273 D855 A857 A862 R863 F882	L266-Y859 HydrophobicContact CD2-CD1 3.9Å; L266-Y859 HydrophobicContact CD2-CE1 3.83Å; N269-Y859 PolarHBondContact ND2-OH 3.08Å; Q270-Y859 HydrophobicContact CG-CD2 3.6Å; Q270-Y859 HydrophobicContact CG-CE1 4.34Å; Q270-Y859 HydrophobicContact CG-CE2 3.27Å; Q270-Y859 HydrophobicContact CG-CG 4.26Å; E273-Y859 PolarHBondContact OE1-OH 3.05Å; E273-Y859 VanDerWaalsContact OE2-CE2 3.25Å; E273-Y859 WeakPolarHBondContact OE2-CE2 3.44Å; E273-Y859 PolarHBondContact OE2-OH 3.23Å; D855-Y859 VanDerWaalsContact O-CB 3.26Å; D855-Y859 WeakPolarHBondContact O-CB 3.41Å; D855-Y859 PolarHBondContact O-N 2.8Å; A857-Y859 VanDerWaalsContact C-N 3.31Å; A857-Y859 PolarHBondContact O-N 3.48Å; Y859-A862 PolarHBondContact O-N 3.44Å; Y859-R863 VanDerWaalsContact CE2-NH1 3.28Å; Y859-R863 VanDerWaalsContact CZ-CD 3.44Å; Y859-R863 PolarHBondContact O-N 2.84Å; Y859-R863 PolarHBondContact OH-NE 2.95Å; Y859-F882 HydrophobicContact CE1-CZ 4.39Å
860	C	89.2	Confident	86.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-46.9	173.3	-77.4	0	0	0	0	111.7	L266 L848 Q856 A857 A862 R863 M864	L266-C860 WeakPolarHBondContact CD1-SG 3.38Å; L848-C860 HydrophobicContact CD1-CB 4.01Å; L848-C860 HydrophobicContact CD2-CB 4.25Å; Q856-C860 PolarHBondContact O-N 3Å; A857-C860 PolarHBondContact O-N 2.91Å; C860-A862 PolarHBondContact O-N 3.21Å; C860-R863 PolarHBondContact O-N 3.46Å; C860-R863 VanDerWaalsContact O-N 3.12Å; C860-M864 HydrophobicContact CB-CE 4.04Å; C860-M864 HydrophobicContact CB-SD 4.17Å; C860-M864 WeakPolarHBondContact O-CB 3.42Å; C860-M864 VanDerWaalsContact O-CG 3.32Å; C860-M864 WeakPolarHBondContact O-CG 3.43Å; C860-M864 PolarHBondContact O-N 3.06Å
861	I	90.8	Very high	86.7	Confident	29 Å²	29	57.6 Å²	57.6	15%	0.149	34%	0.339	C	S	.	.	H	α-helix	trans	-60.2	-34.9	-179.3	-67.9	166.2	0	0	0	111.7	M845 L848 R849 A857 E858 L877	M845-I861 HydrophobicContact CB-CD1 3.92Å; M845-I861 HydrophobicContact CB-CG1 4.36Å; M845-I861 HydrophobicContact CE-CG2 4.11Å; M845-I861 HydrophobicContact CG-CD1 4.16Å; M845-I861 HydrophobicContact CG-CG1 4.13Å; M845-I861 HydrophobicContact CG-CG2 4.27Å; M845-I861 HydrophobicContact SD-CG2 4.17Å; L848-I861 HydrophobicContact CD1-CG1 3.78Å; R849-I861 HydrophobicContact CG-CD1 4.27Å; A857-I861 WeakPolarHBondContact O-CD1 3.28Å; A857-I861 VanDerWaalsContact O-CG1 3.22Å; A857-I861 WeakPolarHBondContact O-CG1 3.48Å; A857-I861 PolarHBondContact O-N 3.44Å; E858-I861 PolarHBondContact O-N 2.96Å; I861-L877 HydrophobicContact CG1-CD1 4.09Å
862	A	90.1	Very high	86.8	Confident	80 Å²	80	57.5 Å²	57.5	66%	0.661	35%	0.345	S	S	*	.	H	α-helix	trans	-75.2	-21.7	178.7	0	0	0	0	0	114.5	E858 Y859 C860	E858-A862 WeakPolarHBondContact O-CB 3.24Å; E858-A862 PolarHBondContact O-N 3.44Å; Y859-A862 PolarHBondContact O-N 3.44Å; C860-A862 PolarHBondContact O-N 3.21Å
863	R	88.7	Confident	87	Confident	107 Å²	107	59.6 Å²	59.6	40%	0.404	36%	0.358	S	S	.	.	H	α-helix	trans	-114.8	-20.2	-173.3	-73.2	173.8	170.3	66.5	-1.8	114.9	E273 Y859 C860 F882	E273-R863 IonicContact OE1-CZ 3.86Å; E273-R863 VanDerWaalsContact OE1-CZ 3.31Å; E273-R863 IonicContact OE1-NE 2.72Å; E273-R863 PolarHBondContact OE1-NE 2.96Å; E273-R863 IonicContact OE1-NH2 3.74Å; E273-R863 PolarHBondContact OE1-NH2 2.95Å; E273-R863 IonicContact OE2-CZ 3.72Å; E273-R863 IonicContact OE2-NE 3.62Å; E273-R863 PolarHBondContact OE2-NE 3.46Å; E273-R863 IonicContact OE2-NH2 2.79Å; E273-R863 PolarHBondContact OE2-NH2 3.24Å; Y859-R863 VanDerWaalsContact CE2-NH1 3.28Å; Y859-R863 VanDerWaalsContact CZ-CD 3.44Å; Y859-R863 PolarHBondContact O-N 2.84Å; Y859-R863 PolarHBondContact OH-NE 2.95Å; C860-R863 PolarHBondContact O-N 3.46Å; C860-R863 VanDerWaalsContact O-N 3.12Å; R863-F882 HydrophobicContact CB-CD2 4.07Å; R863-F882 HydrophobicContact CB-CE2 3.63Å
864	M	90.9	Very high	87	Confident	11 Å²	11	63.4 Å²	63.4	5%	0.054	38%	0.383	C	S	.	.	S	Bend	trans	-75.1	135.7	175.9	-73.2	178.8	173.2	0	0	111.7	F833 I843 L848 C860 L877 F882	F833-M864 HydrophobicContact CD1-CE 4.09Å; F833-M864 HydrophobicContact CE1-CE 3.51Å; F833-M864 HydrophobicContact CE2-CE 4.09Å; F833-M864 HydrophobicContact CZ-CE 3.51Å; I843-M864 HydrophobicContact CG2-SD 4.11Å; L848-M864 HydrophobicContact CD1-SD 4.08Å; C860-M864 HydrophobicContact CB-CE 4.04Å; C860-M864 HydrophobicContact CB-SD 4.17Å; C860-M864 WeakPolarHBondContact O-CB 3.42Å; C860-M864 VanDerWaalsContact O-CG 3.32Å; C860-M864 WeakPolarHBondContact O-CG 3.43Å; C860-M864 PolarHBondContact O-N 3.06Å; M864-L877 HydrophobicContact CB-CB 4.03Å; M864-L877 HydrophobicContact CB-CD1 4.35Å; M864-L877 HydrophobicContact CB-CD2 4.33Å; M864-L877 HydrophobicContact CB-CG 4.47Å; M864-L877 HydrophobicContact SD-CB 4.14Å; M864-L877 HydrophobicContact SD-CD1 4.39Å; M864-F882 HydrophobicContact CE-CB 4.45Å; M864-F882 HydrophobicContact CE-CD1 3.47Å; M864-F882 VanDerWaalsContact CE-CD1 3.47Å; M864-F882 HydrophobicContact CE-CE1 3.91Å; M864-F882 HydrophobicContact CE-CG 4.07Å; M864-F882 HydrophobicContact CG-CB 3.77Å; M864-F882 HydrophobicContact CG-CD1 4.05Å; M864-F882 HydrophobicContact CG-CD2 4.03Å; M864-F882 HydrophobicContact CG-CG 3.67Å
865	A	90.6	Very high	87.1	Confident	44 Å²	44	60.4 Å²	60.4	36%	0.364	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	152.8	172.8	0	0	0	0	0	111.4	L877 D878	A865-L877 WeakPolarHBondContact O-CA 3.37Å; A865-D878 PolarHBondContact O-N 3.08Å
866	P	90.7	Very high	87.4	Confident	98 Å²	98	56.2 Å²	56.2	64%	0.636	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	136.8	170.4	-21	33.3	0	0	0	112
867	Y	90.1	Very high	87.6	Confident	36 Å²	36	56 Å²	56	14%	0.141	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-76.2	125.8	-179.5	-174.7	-104.7	0	0	0	112.4	N841 Y842 G869 D871 S872 A876 D878	N841-Y867 HydrophobicContact CB-CE2 4.38Å; N841-Y867 WeakPolarHBondContact O-CE2 3.38Å; Y842-Y867 HydrophobicContact CD1-CD1 4.09Å; Y842-Y867 HydrophobicContact CD1-CE1 4.06Å; Y842-Y867 HydrophobicContact CG-CD1 4.21Å; Y867-G869 VanDerWaalsContact CE1-CA 3.41Å; Y867-D871 WeakPolarHBondContact CE1-OD1 3.47Å; Y867-D871 PolarHBondContact OH-OD1 2.95Å; Y867-S872 WeakPolarHBondContact O-CB 3.37Å; Y867-S872 PolarHBondContact O-OG 3.03Å; Y867-A876 PolarHBondContact N-O 3.46Å; Y867-D878 HydrophobicContact CD2-CB 4.03Å
868	T	85.4	Confident	87.9	Confident	139 Å²	139	57.4 Å²	57.4	85%	0.853	36%	0.356	S	S	*	.			trans	-108.4	8.8	-173.8	54.8	0	0	0	0	114.5
869	G	83.2	Confident	87.9	Confident	19 Å²	19	53.4 Å²	53.4	20%	0.196	34%	0.337	C	S	.	.	S	Bend	trans	-70.3	168.7	-179.5	0	0	0	0	0	115.1	Y867 D871 S872	Y867-G869 VanDerWaalsContact CE1-CA 3.41Å; G869-D871 PolarHBondContact O-N 3.24Å; G869-S872 WeakPolarHBondContact O-CB 3.42Å; G869-S872 PolarHBondContact O-N 3.34Å; G869-S872 VanDerWaalsContact O-N 3.1Å
870	P	80.7	Confident	87.9	Confident	140 Å²	140	55 Å²	55	91%	0.909	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.1	-173.5	29.3	-36.2	0	0	0	114.4
871	D	84	Confident	87.8	Confident	65 Å²	65	57.4 Å²	57.4	35%	0.348	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	10.5	176.4	59	-45.7	0	0	0	113.4	Y842 Y867 G869	Y842-D871 HydrophobicContact CE1-CB 4.47Å; Y842-D871 VanDerWaalsContact CE1-O 3.27Å; Y842-D871 WeakPolarHBondContact CE1-O 3.45Å; Y867-D871 WeakPolarHBondContact CE1-OD1 3.47Å; Y867-D871 PolarHBondContact OH-OD1 2.95Å; G869-D871 PolarHBondContact O-N 3.24Å
872	S	82.6	Confident	87.7	Confident	55 Å²	55	56.6 Å²	56.6	39%	0.385	36%	0.358	S	S	.	.			trans	-60.4	143	-177.9	-172.8	0	0	0	0	113.6	Y867 G869	Y867-S872 WeakPolarHBondContact O-CB 3.37Å; Y867-S872 PolarHBondContact O-OG 3.03Å; G869-S872 WeakPolarHBondContact O-CB 3.42Å; G869-S872 PolarHBondContact O-N 3.34Å; G869-S872 VanDerWaalsContact O-N 3.1Å
873	V	85.9	Confident	87.5	Confident	55 Å²	55	52.8 Å²	52.8	33%	0.333	33%	0.326	S	S	.	.			trans	-123.8	158.5	177	-61.7	0	0	0	0	110.3	Y842 T844 G875 A876	Y842-V873 HydrophobicContact CD2-CG2 4.11Å; Y842-V873 HydrophobicContact CE2-CG2 3.43Å; Y842-V873 VanDerWaalsContact CE2-CG2 3.43Å; T844-V873 HydrophobicContact CG2-CG2 4.27Å; V873-G875 PolarHBondContact O-N 2.83Å; V873-A876 HydrophobicContact CG2-CB 3.94Å; V873-A876 WeakPolarHBondContact O-CB 3.44Å; V873-A876 PolarHBondContact O-N 3.4Å
874	P	82.9	Confident	87.2	Confident	137 Å²	137	49.2 Å²	49.2	89%	0.89	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	124	176.7	-25.1	35.2	0	0	0	111.8
875	G	85	Confident	86.8	Confident	40 Å²	40	51.5 Å²	51.5	41%	0.412	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	12.8	-177.3	0	0	0	0	0	115.3	V873	V873-G875 PolarHBondContact O-N 2.83Å
876	A	90.1	Very high	86.2	Confident	6 Å²	6	49.9 Å²	49.9	5%	0.05	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	131.6	170	0	0	0	0	0	111.8	Y842 Y867 V873	Y842-A876 HydrophobicContact CD2-CB 3.73Å; Y842-A876 HydrophobicContact CE2-CB 4.44Å; Y842-A876 HydrophobicContact CG-CB 3.96Å; Y867-A876 PolarHBondContact N-O 3.46Å; V873-A876 HydrophobicContact CG2-CB 3.94Å; V873-A876 WeakPolarHBondContact O-CB 3.44Å; V873-A876 PolarHBondContact O-N 3.4Å
877	L	92.7	Very high	85.5	Confident	8 Å²	8	46.3 Å²	46.3	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.4	178.2	-63	173.9	0	0	0	110	I843 M845 L848 I861 M864 A865	I843-L877 HydrophobicContact CG2-CB 4.2Å; I843-L877 PolarHBondContact N-O 3.45Å; I843-L877 VanDerWaalsContact N-O 3.07Å; I843-L877 WeakPolarHBondContact O-CB 3.3Å; I843-L877 PolarHBondContact O-N 3.41Å; M845-L877 HydrophobicContact CE-CD2 4.44Å; M845-L877 HydrophobicContact CG-CD1 4.04Å; L848-L877 HydrophobicContact CD1-CD1 3.77Å; I861-L877 HydrophobicContact CG1-CD1 4.09Å; M864-L877 HydrophobicContact CB-CB 4.03Å; M864-L877 HydrophobicContact CB-CD1 4.35Å; M864-L877 HydrophobicContact CB-CD2 4.33Å; M864-L877 HydrophobicContact CB-CG 4.47Å; M864-L877 HydrophobicContact SD-CB 4.14Å; M864-L877 HydrophobicContact SD-CD1 4.39Å; A865-L877 WeakPolarHBondContact O-CA 3.37Å
878	D	92.6	Very high	84.2	Confident	31 Å²	31	46.5 Å²	46.5	17%	0.166	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	103.9	176.1	-179.1	14.6	0	0	0	110.2	A865 Y867 M880 S881	A865-D878 PolarHBondContact O-N 3.08Å; Y867-D878 HydrophobicContact CD2-CB 4.03Å; D878-M880 VanDerWaalsContact C-N 3.34Å; D878-M880 WeakPolarHBondContact OD1-CA 3.48Å; D878-M880 VanDerWaalsContact OD1-CB 3.31Å; D878-M880 WeakPolarHBondContact OD1-CB 3.34Å; D878-M880 PolarHBondContact OD1-N 2.72Å; D878-S881 PolarHBondContact OD1-N 3.01Å; D878-S881 WeakPolarHBondContact OD2-CB 3.38Å; D878-S881 PolarHBondContact OD2-N 3.01Å; D878-S881 PolarHBondContact OD2-OG 3.09Å
879	Y	91.1	Very high	82.8	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-82.1	-13.6	174.4	66.7	-102	0	0	0	112.7	M830 F833 K834 A837 K840 I843 S883	M830-Y879 WeakPolarHBondContact O-CE2 3.29Å; F833-Y879 HydrophobicContact CB-CD1 4.15Å; F833-Y879 HydrophobicContact CB-CD2 3.3Å; F833-Y879 HydrophobicContact CB-CE2 3.86Å; F833-Y879 HydrophobicContact CB-CG 3.49Å; F833-Y879 VanDerWaalsContact CB-CG 3.49Å; F833-Y879 HydrophobicContact CD2-CD2 4.42Å; F833-Y879 HydrophobicContact CG-CD2 4.11Å; F833-Y879 HydrophobicContact CG-CG 4.06Å; K834-Y879 HydrophobicContact CB-CE2 4.38Å; K834-Y879 WeakPolarHBondContact CB-OH 3.45Å; A837-Y879 HydrophobicContact CB-CE1 4.09Å; K840-Y879 PolarHBondContact O-OH 3.01Å; K840-Y879 VanDerWaalsContact O-OH 3.04Å; I843-Y879 HydrophobicContact CB-CD1 4.07Å; I843-Y879 HydrophobicContact CG2-CD1 4.11Å; Y879-S883 WeakPolarHBondContact O-CB 3.47Å; Y879-S883 PolarHBondContact O-N 3.21Å; Y879-S883 PolarHBondContact O-OG 2.94Å
880	M	88.3	Confident	81	Confident	53 Å²	53	47.3 Å²	47.3	26%	0.261	30%	0.304	S	S	.	.	H	α-helix	trans	-73.4	-59	-177.8	-57	-169.3	-178.4	0	0	109.7	M830 N841 D878 F882 S883 T884	M830-M880 HydrophobicContact CE-CB 3.98Å; M830-M880 HydrophobicContact CE-CG 3.98Å; M830-M880 HydrophobicContact CE-SD 4.22Å; N841-M880 HydrophobicContact CB-CE 3.84Å; D878-M880 VanDerWaalsContact C-N 3.34Å; D878-M880 WeakPolarHBondContact OD1-CA 3.48Å; D878-M880 VanDerWaalsContact OD1-CB 3.31Å; D878-M880 WeakPolarHBondContact OD1-CB 3.34Å; D878-M880 PolarHBondContact OD1-N 2.72Å; M880-F882 PolarHBondContact O-N 3.1Å; M880-S883 PolarHBondContact O-N 3.4Å; M880-T884 PolarHBondContact O-N 3.45Å; M880-T884 PolarHBondContact O-OG1 3.23Å; M880-T884 VanDerWaalsContact O-OG1 3.08Å
881	S	86.6	Confident	78.5	Confident	50 Å²	50	49 Å²	49	35%	0.35	31%	0.306	S	S	.	.	H	α-helix	trans	-57.4	-37.8	176.7	55.7	0	0	0	0	112.8	D878 T884 A885	D878-S881 PolarHBondContact OD1-N 3.01Å; D878-S881 WeakPolarHBondContact OD2-CB 3.38Å; D878-S881 PolarHBondContact OD2-N 3.01Å; D878-S881 PolarHBondContact OD2-OG 3.09Å; S881-T884 PolarHBondContact O-N 3.48Å; S881-A885 VanDerWaalsContact O-CB 3.28Å; S881-A885 WeakPolarHBondContact O-CB 3.36Å; S881-A885 PolarHBondContact O-N 2.94Å
882	F	89.5	Confident	76	Confident	12 Å²	12	56.8 Å²	56.8	5%	0.053	35%	0.347	C	S	.	.	H	α-helix	trans	-61.2	-45.6	173.4	175.8	-103.1	0	0	0	112.8	L266 F833 Y859 R863 M864 M880 A885 L886	L266-F882 HydrophobicContact CD2-CE1 3.83Å; L266-F882 HydrophobicContact CD2-CZ 3.67Å; F833-F882 HydrophobicContact CE2-CD1 4.18Å; F833-F882 HydrophobicContact CE2-CE1 4.22Å; F833-F882 HydrophobicContact CZ-CD1 4.34Å; F833-F882 HydrophobicContact CZ-CE1 4.12Å; Y859-F882 HydrophobicContact CE1-CZ 4.39Å; R863-F882 HydrophobicContact CB-CD2 4.07Å; R863-F882 HydrophobicContact CB-CE2 3.63Å; M864-F882 HydrophobicContact CE-CB 4.45Å; M864-F882 HydrophobicContact CE-CD1 3.47Å; M864-F882 VanDerWaalsContact CE-CD1 3.47Å; M864-F882 HydrophobicContact CE-CE1 3.91Å; M864-F882 HydrophobicContact CE-CG 4.07Å; M864-F882 HydrophobicContact CG-CB 3.77Å; M864-F882 HydrophobicContact CG-CD1 4.05Å; M864-F882 HydrophobicContact CG-CD2 4.03Å; M864-F882 HydrophobicContact CG-CG 3.67Å; M880-F882 PolarHBondContact O-N 3.1Å; F882-A885 PolarHBondContact O-N 2.99Å; F882-L886 HydrophobicContact CD1-CD1 4.19Å; F882-L886 HydrophobicContact CE1-CD1 3.69Å; F882-L886 HydrophobicContact CE1-CG 4.38Å; F882-L886 HydrophobicContact CZ-CD1 3.95Å; F882-L886 HydrophobicContact CZ-CD2 4.28Å; F882-L886 HydrophobicContact CZ-CG 4.28Å; F882-L886 WeakPolarHBondContact O-CG 3.3Å; F882-L886 PolarHBondContact O-N 2.88Å; F882-L886 VanDerWaalsContact O-N 3.15Å
883	S	85	Confident	75.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-42.3	178.4	-58	0	0	0	0	111.6	Y879 M880 L886 Y887	Y879-S883 WeakPolarHBondContact O-CB 3.47Å; Y879-S883 PolarHBondContact O-N 3.21Å; Y879-S883 PolarHBondContact O-OG 2.94Å; M880-S883 PolarHBondContact O-N 3.4Å; S883-L886 PolarHBondContact O-N 3.11Å; S883-Y887 WeakPolarHBondContact O-CD2 3.49Å
884	T	83.4	Confident	75.1	Confident	32 Å²	32	57 Å²	57	20%	0.196	35%	0.345	C	S	.	.	H	α-helix	trans	-60.9	-42.9	174.5	-54.8	0	0	0	0	111.7	M880 S881 L886 Y887 G888 E889	M880-T884 PolarHBondContact O-N 3.45Å; M880-T884 PolarHBondContact O-OG1 3.23Å; M880-T884 VanDerWaalsContact O-OG1 3.08Å; S881-T884 PolarHBondContact O-N 3.48Å; T884-L886 PolarHBondContact O-N 2.82Å; T884-Y887 PolarHBondContact O-N 3.44Å; T884-G888 PolarHBondContact O-N 3.26Å; T884-E889 HydrophobicContact CG2-CB 3.7Å; T884-E889 WeakPolarHBondContact CG2-O 3.36Å; T884-E889 PolarHBondContact O-N 3.38Å; T884-E889 VanDerWaalsContact O-N 3.09Å
885	A	82	Confident	74.7	Confident	59 Å²	59	52.6 Å²	52.6	49%	0.488	32%	0.315	S	S	.	.	H	α-helix	trans	-65.3	-33.9	179.6	0	0	0	0	0	113.5	S881 F882 Y887 G888	S881-A885 VanDerWaalsContact O-CB 3.28Å; S881-A885 WeakPolarHBondContact O-CB 3.36Å; S881-A885 PolarHBondContact O-N 2.94Å; F882-A885 PolarHBondContact O-N 2.99Å; A885-Y887 PolarHBondContact O-N 3.13Å; A885-G888 PolarHBondContact O-N 2.78Å
886	L	79	Confident	74.1	Confident	11 Å²	11	53.3 Å²	53.3	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-24.4	176.6	-73.7	172.2	0	0	0	113.7	V265 N269 R350 F882 S883 T884	V265-L886 HydrophobicContact CG1-CD1 4.14Å; N269-L886 HydrophobicContact CB-CD2 3.95Å; N269-L886 VanDerWaalsContact CG-CD2 3.41Å; N269-L886 WeakPolarHBondContact ND2-CD2 3.46Å; R350-L886 WeakPolarHBondContact CD-O 3.4Å; R350-L886 WeakPolarHBondContact CG-O 3.31Å; F882-L886 HydrophobicContact CD1-CD1 4.19Å; F882-L886 HydrophobicContact CE1-CD1 3.69Å; F882-L886 HydrophobicContact CE1-CG 4.38Å; F882-L886 HydrophobicContact CZ-CD1 3.95Å; F882-L886 HydrophobicContact CZ-CD2 4.28Å; F882-L886 HydrophobicContact CZ-CG 4.28Å; F882-L886 WeakPolarHBondContact O-CG 3.3Å; F882-L886 PolarHBondContact O-N 2.88Å; F882-L886 VanDerWaalsContact O-N 3.15Å; S883-L886 PolarHBondContact O-N 3.11Å; T884-L886 PolarHBondContact O-N 2.82Å
887	Y	76.5	Confident	73.1	Confident	23 Å²	23	56.3 Å²	56.3	9%	0.09	33%	0.325	C	S	.	.	H	α-helix	trans	-114.1	-3.7	-179.1	-66.2	-92.2	0	0	0	113.2	V265 D824 A826 V829 S883 T884 A885	V265-Y887 HydrophobicContact CG1-CE2 4.38Å; D824-Y887 WeakPolarHBondContact O-CE1 3.09Å; D824-Y887 PolarHBondContact O-OH 3.05Å; A826-Y887 HydrophobicContact CB-CD2 3.85Å; A826-Y887 HydrophobicContact CB-CG 4.26Å; V829-Y887 HydrophobicContact CG2-CE2 4.13Å; S883-Y887 WeakPolarHBondContact O-CD2 3.49Å; T884-Y887 PolarHBondContact O-N 3.44Å; A885-Y887 PolarHBondContact O-N 3.13Å
888	G	62.1	Low	71.8	Confident	39 Å²	39	59.5 Å²	59.5	40%	0.402	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	20.5	179.5	0	0	0	0	0	115.1	T884 A885 S890	T884-G888 PolarHBondContact O-N 3.26Å; A885-G888 PolarHBondContact O-N 2.78Å; G888-S890 PolarHBondContact O-N 3.13Å
889	E	56.7	Low	70.3	Confident	116 Å²	116	61.5 Å²	61.5	54%	0.542	36%	0.357	S	S	.	.			trans	-81.7	12.2	-179	-69.8	179.5	-179.5	0	0	113.3	A826 T884	A826-E889 VanDerWaalsContact CB-OE2 3.24Å; A826-E889 WeakPolarHBondContact CB-OE2 3.4Å; T884-E889 HydrophobicContact CG2-CB 3.7Å; T884-E889 WeakPolarHBondContact CG2-O 3.36Å; T884-E889 PolarHBondContact O-N 3.38Å; T884-E889 VanDerWaalsContact O-N 3.09Å
890	S	44.1	Very low	68.7	Low	59 Å²	59	66.1 Å²	66.1	41%	0.413	38%	0.384	S	S	.	.			trans	-85.5	119.2	-177.8	58.4	0	0	0	0	111.1	G888 L892	G888-S890 PolarHBondContact O-N 3.13Å; S890-L892 PolarHBondContact O-N 2.68Å
891	D	29.3	Very low	67.1	Low	177 Å²	177	67.2 Å²	67.2	95%	0.947	39%	0.394	S	S	*	.			trans	-58	99.9	163.6	-79	-37.7	0	0	0	110.1
892	L	31	Very low	65.3	Low	228 Å²	228	68.7 Å²	68.7	100%	1.194	40%	0.398	S	S	*	.			trans	-136.5	0	170.3	-104.9	171.7	0	0	0	110.2	S890	S890-L892 PolarHBondContact O-N 2.68Å

Retrieved 892 of 892 residues in 766.5 ms (Link to these results)

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