A0A3Q0KTL1_SCHMA Loading...

Putative cationic amino acid transporter

AlphaFold DB , UniProt , Accession A0A3Q0KTL1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 674 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	28.3	Very low	250 Å²	250	153.2 Å²	153.2	100%	1.232	83%	0.826	S	S	*	*				0	116.6	0	-89.6	169.9	147.4	0	0	107.6
2	S	30.5	Very low	28	Very low	118 Å²	118	151.9 Å²	151.9	83%	0.825	82%	0.819	S	S	*	*			trans	-69.9	144.8	175.8	61.3	0	0	0	0	111.2
3	K	32.7	Very low	27.8	Very low	208 Å²	208	154.8 Å²	154.8	90%	0.904	82%	0.819	S	S	*	*			trans	178.5	99.4	149.6	-98.3	174.8	-174.7	-173.7	0	103.6
4	G	27.7	Very low	27.8	Very low	63 Å²	63	157.5 Å²	157.5	65%	0.649	83%	0.825	S	S	*	*			cis	95.9	85.2	40.9	0	0	0	0	0	108
5	D	25.5	Very low	28	Very low	153 Å²	153	151.8 Å²	151.8	82%	0.818	81%	0.81	S	S	*	*			trans	68.4	128.1	142.8	-58.7	-28.5	0	0	0	123.1
6	S	26.4	Very low	28	Very low	97 Å²	97	150.8 Å²	150.8	68%	0.678	81%	0.811	S	S	*	*			trans	65.2	107.2	133.5	66.6	0	0	0	0	118.1
7	N	28.3	Very low	28.1	Very low	158 Å²	158	149.8 Å²	149.8	85%	0.845	81%	0.805	S	S	*	*			trans	-162.9	72	130.1	-89.1	-33.6	0	0	0	109.5	R9	N7-R9 PolarHBondContact O-N 3.1Å
8	L	25.5	Very low	28.2	Very low	173 Å²	173	147.8 Å²	147.8	91%	0.906	80%	0.8	S	S	*	*			trans	-77.7	96.8	153.2	-100.4	116.6	0	0	0	106.7
9	R	25.5	Very low	28.4	Very low	211 Å²	211	147.8 Å²	147.8	80%	0.796	80%	0.798	S	S	*	*			trans	-115.5	100.4	164.3	-134.8	177.3	-174.2	151.9	0.9	107.2	N7 D11	N7-R9 PolarHBondContact O-N 3.1Å; R9-D11 PolarHBondContact O-N 3.29Å
10	V	25.8	Very low	28.3	Very low	108 Å²	108	149.3 Å²	149.3	66%	0.655	80%	0.796	S	S	*	*			trans	-76.1	98.7	168.3	175.8	0	0	0	0	105.8	D12	V10-D12 PolarHBondContact O-N 3.25Å
11	D	27.2	Very low	28.6	Very low	146 Å²	146	147.5 Å²	147.5	78%	0.781	79%	0.793	S	S	*	*			trans	-83.4	95.8	163.5	-82.9	-29.7	0	0	0	108	R9 K13	R9-D11 PolarHBondContact O-N 3.29Å; D11-K13 PolarHBondContact O-N 2.97Å
12	D	24.9	Very low	28.3	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	77%	0.773	S	S	*	*			trans	-59	112	155.5	-79	-38.3	0	0	0	108.9	V10	V10-D12 PolarHBondContact O-N 3.25Å
13	K	25.7	Very low	28.3	Very low	189 Å²	189	150.6 Å²	150.6	82%	0.822	78%	0.778	S	S	*	*			trans	156.4	102.5	143	-87.2	160.5	-173.8	179	0	109.1	D11	D11-K13 PolarHBondContact O-N 2.97Å
14	E	27.3	Very low	28.5	Very low	193 Å²	193	149 Å²	149	90%	0.902	77%	0.771	S	S	*	*				172.7	148.2	113.7	-94.8	173.3	179.2	0	0	111.9
15	A	30.7	Very low	28.9	Very low	72 Å²	72	156.3 Å²	156.3	60%	0.595	79%	0.785	S	S	*	*			trans	73.2	72	170.5	0	0	0	0	0	116.7	N17	A15-N17 PolarHBondContact O-N 2.78Å
16	T	28.6	Very low	29.7	Very low	135 Å²	135	152 Å²	152	83%	0.828	77%	0.767	S	S	*	*				-52	79.5	129.4	46.4	0	0	0	0	109.1	T18	T16-T18 PolarHBondContact O-N 3.35Å
17	N	28.7	Very low	30.6	Very low	134 Å²	134	152.8 Å²	152.8	72%	0.717	77%	0.77	S	S	*	*			trans	-68	82.7	160.1	-87.8	-21.3	0	0	0	106.2	A15 I19	A15-N17 PolarHBondContact O-N 2.78Å; N17-I19 PolarHBondContact O-N 3.38Å
18	T	30.9	Very low	31.9	Very low	115 Å²	115	151.2 Å²	151.2	71%	0.706	76%	0.761	S	S	*	*			trans	-53.4	98.4	151.1	39.6	0	0	0	0	105.4	T16 K20	T16-T18 PolarHBondContact O-N 3.35Å; T18-K20 PolarHBondContact O-N 2.97Å
19	I	30.9	Very low	33.7	Very low	148 Å²	148	147.9 Å²	147.9	76%	0.759	75%	0.751	S	S	*	*			trans	-61.1	87.3	169.5	-60.5	171.4	0	0	0	104.9	N17	N17-I19 PolarHBondContact O-N 3.38Å
20	K	26.6	Very low	35.9	Very low	177 Å²	177	143.2 Å²	143.2	77%	0.77	75%	0.75	S	S	*	*			trans	-57.1	121.3	160.9	-78.5	179.4	178.2	172	0	104.2	T18 F22	T18-K20 PolarHBondContact O-N 2.97Å; K20-F22 PolarHBondContact O-N 3.18Å
21	P	34.4	Very low	38.1	Very low	112 Å²	112	139.7 Å²	139.7	73%	0.727	74%	0.735	S	S	*	*			trans	-55.7	125.2	-176.4	22	-31.4	0	0	0	107.4	R23	P21-R23 PolarHBondContact O-N 3.06Å
22	F	29.8	Very low	40.3	Very low	185 Å²	185	137.1 Å²	137.1	81%	0.811	72%	0.719	S	S	*	*			trans	-42.4	108	175.1	-100.3	-96.3	0	0	0	108.5	K20 K24	K20-F22 PolarHBondContact O-N 3.18Å; F22-K24 PolarHBondContact O-N 2.89Å
23	R	31.4	Very low	42.7	Very low	247 Å²	247	135.4 Å²	135.4	93%	0.932	70%	0.702	S	S	*	*			trans	-69.5	70.4	161.7	-85.8	-175.9	173.9	174.6	-2	107.2	P21 K25	P21-R23 PolarHBondContact O-N 3.06Å; R23-K25 PolarHBondContact O-N 2.71Å; R23-K25 VanDerWaalsContact O-N 3.14Å
24	K	36	Very low	45.1	Very low	175 Å²	175	128.1 Å²	128.1	76%	0.761	68%	0.681	S	S	*	*			trans	-64.9	110.2	155.5	-88.9	-176.6	175.6	177.5	0	105.1	F22 S26	F22-K24 PolarHBondContact O-N 2.89Å; K24-S26 PolarHBondContact O-N 3.21Å
25	K	36.7	Very low	47.3	Very low	216 Å²	216	127.6 Å²	127.6	94%	0.939	67%	0.671	S	S	*	*			trans	-61.9	88.5	158.1	-77.4	179.2	173.5	179.2	0	105.8	R23	R23-K25 PolarHBondContact O-N 2.71Å; R23-K25 VanDerWaalsContact O-N 3.14Å
26	S	43	Very low	49.4	Very low	63 Å²	63	124.4 Å²	124.4	44%	0.441	65%	0.645	S	S	.	*			trans	-79.2	141.3	173.8	48.5	0	0	0	0	109.5	K24 E32	K24-S26 PolarHBondContact O-N 3.21Å; S26-E32 PolarHBondContact OG-OE1 2.94Å; S26-E32 VanDerWaalsContact OG-OE1 3.05Å
27	P	45.2	Very low	51.7	Low	113 Å²	113	120 Å²	120	73%	0.734	62%	0.617	S	S	*	*	S	Bend	trans	-78.4	145	-175.2	32	-31.8	0	0	0	110.9
28	N	55.3	Low	53.9	Low	125 Å²	125	117.4 Å²	117.4	67%	0.668	61%	0.614	S	S	*	*			trans	75.9	73.3	173.9	-59.9	-12	0	0	0	117.3	C30 G31 E32	N28-C30 PolarHBondContact O-N 3.04Å; N28-C30 VanDerWaalsContact O-N 3.09Å; N28-G31 WeakPolarHBondContact O-CA 3.43Å; N28-G31 PolarHBondContact O-N 3.42Å; N28-E32 PolarHBondContact O-N 3.37Å
29	C	64.3	Low	55.9	Low	103 Å²	103	117.7 Å²	117.7	70%	0.696	61%	0.612	S	S	*	*	H	α-helix	trans	-46.2	-36.1	163.7	-65.3	0	0	0	0	113.4	Y33	C29-Y33 WeakPolarHBondContact O-CB 3.28Å; C29-Y33 PolarHBondContact O-N 3.41Å
30	C	71.3	Confident	58	Low	113 Å²	113	110.7 Å²	110.7	76%	0.764	58%	0.576	S	S	*	*	H	α-helix	trans	-67.3	-34.5	176.9	-65.7	0	0	0	0	112.9	N28 G34	N28-C30 PolarHBondContact O-N 3.04Å; N28-C30 VanDerWaalsContact O-N 3.09Å; C30-G34 PolarHBondContact O-N 3.11Å
31	G	72.2	Confident	60.5	Low	34 Å²	34	104.1 Å²	104.1	35%	0.351	55%	0.549	S	S	.	.	H	α-helix	trans	-70.7	-41.6	177.9	0	0	0	0	0	111.9	N28 G34 R35	N28-G31 WeakPolarHBondContact O-CA 3.43Å; N28-G31 PolarHBondContact O-N 3.42Å; G31-G34 PolarHBondContact O-N 3.09Å; G31-R35 WeakPolarHBondContact O-CG 3.02Å; G31-R35 PolarHBondContact O-N 3.29Å
32	E	72	Confident	62.7	Low	93 Å²	93	105.6 Å²	105.6	44%	0.435	54%	0.544	S	S	.	.	H	α-helix	trans	-62.8	-44.7	173.5	-70.1	179.6	-178.5	0	0	111.5	S26 N28 R35 A36	S26-E32 PolarHBondContact OG-OE1 2.94Å; S26-E32 VanDerWaalsContact OG-OE1 3.05Å; N28-E32 PolarHBondContact O-N 3.37Å; E32-R35 PolarHBondContact O-N 3.45Å; E32-A36 WeakPolarHBondContact O-CB 3.4Å; E32-A36 PolarHBondContact O-N 3.08Å
33	Y	75.8	Confident	65.1	Low	101 Å²	101	98.2 Å²	98.2	40%	0.396	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-45.4	175.7	-174.2	-99.5	0	0	0	112	C29 R35 A36 V37 F623 I627	C29-Y33 WeakPolarHBondContact O-CB 3.28Å; C29-Y33 PolarHBondContact O-N 3.41Å; Y33-R35 VanDerWaalsContact C-N 3.31Å; Y33-R35 PolarHBondContact O-N 2.91Å; Y33-A36 PolarHBondContact O-N 2.77Å; Y33-A36 VanDerWaalsContact O-N 3.14Å; Y33-V37 HydrophobicContact CD1-CG2 3.95Å; Y33-V37 HydrophobicContact CE1-CG2 3.53Å; Y33-V37 HydrophobicContact CE2-CG2 4.34Å; Y33-V37 WeakPolarHBondContact O-CG2 3.34Å; Y33-V37 PolarHBondContact O-N 3.18Å; Y33-F623 WeakPolarHBondContact CE2-O 3.42Å; Y33-F623 PolarHBondContact OH-O 3.02Å; Y33-I627 HydrophobicContact CE2-CG2 3.96Å
34	G	77.2	Confident	67.4	Low	36 Å²	36	87.8 Å²	87.8	37%	0.371	47%	0.472	S	S	.	.	H	α-helix	trans	-58.2	-41	176.9	0	0	0	0	0	112.7	C30 G31 V37 A38	C30-G34 PolarHBondContact O-N 3.11Å; G31-G34 PolarHBondContact O-N 3.09Å; G34-V37 PolarHBondContact O-N 3.47Å; G34-A38 VanDerWaalsContact O-CB 3.32Å; G34-A38 WeakPolarHBondContact O-CB 3.49Å; G34-A38 PolarHBondContact O-N 2.95Å
35	R	72.9	Confident	69.1	Low	183 Å²	183	82 Å²	82	69%	0.691	45%	0.447	S	S	*	.	H	α-helix	trans	-67.2	-42.6	173.2	-72.4	-178.4	-164.1	161.8	4.1	112.6	G31 E32 Y33 V37 A38 N39	G31-R35 WeakPolarHBondContact O-CG 3.02Å; G31-R35 PolarHBondContact O-N 3.29Å; E32-R35 PolarHBondContact O-N 3.45Å; Y33-R35 VanDerWaalsContact C-N 3.31Å; Y33-R35 PolarHBondContact O-N 2.91Å; R35-V37 VanDerWaalsContact C-N 3.27Å; R35-V37 PolarHBondContact O-N 3.19Å; R35-A38 PolarHBondContact O-N 3.26Å; R35-N39 WeakPolarHBondContact O-CB 3.22Å; R35-N39 PolarHBondContact O-N 3.31Å
36	A	73.5	Confident	70.5	Confident	5 Å²	5	77.2 Å²	77.2	4%	0.041	43%	0.428	C	S	.	.	H	α-helix	trans	-60.9	-38.1	176.9	0	0	0	0	0	111.6	E32 Y33 G40	E32-A36 WeakPolarHBondContact O-CB 3.4Å; E32-A36 PolarHBondContact O-N 3.08Å; Y33-A36 PolarHBondContact O-N 2.77Å; Y33-A36 VanDerWaalsContact O-N 3.14Å; A36-G40 WeakPolarHBondContact O-CA 3.36Å; A36-G40 PolarHBondContact O-N 2.99Å
37	V	78	Confident	71.3	Confident	42 Å²	42	75.5 Å²	75.5	26%	0.255	41%	0.412	S	S	.	.	H	α-helix	trans	-67.4	-54.8	172.4	176.4	0	0	0	0	111	Y33 G34 R35 N39 G40 L41 I627	Y33-V37 HydrophobicContact CD1-CG2 3.95Å; Y33-V37 HydrophobicContact CE1-CG2 3.53Å; Y33-V37 HydrophobicContact CE2-CG2 4.34Å; Y33-V37 WeakPolarHBondContact O-CG2 3.34Å; Y33-V37 PolarHBondContact O-N 3.18Å; G34-V37 PolarHBondContact O-N 3.47Å; R35-V37 VanDerWaalsContact C-N 3.27Å; R35-V37 PolarHBondContact O-N 3.19Å; V37-N39 VanDerWaalsContact C-N 3.3Å; V37-N39 PolarHBondContact O-N 3.13Å; V37-G40 PolarHBondContact O-N 3.2Å; V37-L41 HydrophobicContact CB-CD1 4.38Å; V37-L41 HydrophobicContact CG1-CD1 3.64Å; V37-L41 WeakPolarHBondContact O-CD1 3.43Å; V37-L41 PolarHBondContact O-N 3.26Å; V37-I627 HydrophobicContact CB-CD1 4.25Å; V37-I627 HydrophobicContact CG2-CD1 3.92Å
38	A	74.1	Confident	71.6	Confident	79 Å²	79	74.1 Å²	74.1	65%	0.653	40%	0.395	S	S	*	.	H	α-helix	trans	-58	-40.3	-175.2	0	0	0	0	0	113.2	G34 R35	G34-A38 VanDerWaalsContact O-CB 3.32Å; G34-A38 WeakPolarHBondContact O-CB 3.49Å; G34-A38 PolarHBondContact O-N 2.95Å; R35-A38 PolarHBondContact O-N 3.26Å
39	N	72.8	Confident	71	Confident	122 Å²	122	77.4 Å²	77.4	65%	0.652	41%	0.406	S	S	*	.	H	α-helix	trans	-95.6	-23	-177.9	-64.9	-8.6	0	0	0	113.2	R35 V37	R35-N39 WeakPolarHBondContact O-CB 3.22Å; R35-N39 PolarHBondContact O-N 3.31Å; V37-N39 VanDerWaalsContact C-N 3.3Å; V37-N39 PolarHBondContact O-N 3.13Å
40	G	74.6	Confident	69.7	Low	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-82.8	-35.7	-170.1	0	0	0	0	0	114.7	A36 V37 F42 R43 E134	A36-G40 WeakPolarHBondContact O-CA 3.36Å; A36-G40 PolarHBondContact O-N 2.99Å; V37-G40 PolarHBondContact O-N 3.2Å; G40-F42 PolarHBondContact O-N 3.37Å; G40-R43 WeakPolarHBondContact O-CB 3.3Å; G40-R43 PolarHBondContact O-N 2.83Å; G40-E134 VanDerWaalsContact O-CB 3.25Å; G40-E134 WeakPolarHBondContact O-CB 3.34Å
41	L	79.4	Confident	68.3	Low	40 Å²	40	81 Å²	81	21%	0.209	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-37.6	-170.5	-97.2	77.7	0	0	0	113.9	V37 E134 L135 F623 I627	V37-L41 HydrophobicContact CB-CD1 4.38Å; V37-L41 HydrophobicContact CG1-CD1 3.64Å; V37-L41 WeakPolarHBondContact O-CD1 3.43Å; V37-L41 PolarHBondContact O-N 3.26Å; L41-E134 PolarHBondContact O-N 3.37Å; L41-L135 HydrophobicContact CD2-CD1 3.87Å; L41-L135 HydrophobicContact CG-CB 4.47Å; L41-L135 HydrophobicContact CG-CD1 3.96Å; L41-L135 WeakPolarHBondContact O-CB 3.24Å; L41-L135 PolarHBondContact O-N 3.49Å; L41-F623 HydrophobicContact CD1-CE1 4.38Å; L41-I627 HydrophobicContact CD1-CD1 3.8Å
42	F	81.3	Confident	66.8	Low	142 Å²	142	86 Å²	86	62%	0.623	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	17.5	-179.8	-62.1	-72.9	0	0	0	112.9	G40 K44	G40-F42 PolarHBondContact O-N 3.37Å; F42-K44 PolarHBondContact O-N 2.82Å
43	R	80.3	Confident	65.5	Low	30 Å²	30	88.2 Å²	88.2	11%	0.113	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-60.2	132	174.4	174.3	171.8	50.8	-139	-8	109.5	G40 Y129 G133 E134 T630 N631 S634	G40-R43 WeakPolarHBondContact O-CB 3.3Å; G40-R43 PolarHBondContact O-N 2.83Å; R43-Y129 WeakPolarHBondContact O-CE2 3.42Å; R43-G133 CarbonylContact O-C 3.53Å; R43-G133 VanDerWaalsContact O-CA 3.22Å; R43-G133 WeakPolarHBondContact O-CA 3.38Å; R43-E134 IonicContact CZ-OE2 2.66Å; R43-E134 IonicContact NE-OE2 3.27Å; R43-E134 PolarHBondContact NE-OE2 2.97Å; R43-E134 IonicContact NH2-OE2 2.82Å; R43-E134 PolarHBondContact NH2-OE2 3.28Å; R43-E134 PolarHBondContact O-N 2.98Å; R43-T630 PolarHBondContact NH2-O 3.31Å; R43-N631 VanDerWaalsContact NH1-CA 3.26Å; R43-N631 PolarHBondContact NH1-OD1 3.07Å; R43-N631 VanDerWaalsContact NH2-CA 3.29Å; R43-S634 WeakPolarHBondContact CD-OG 3.48Å
44	K	79	Confident	64.3	Low	28 Å²	28	87.4 Å²	87.4	12%	0.122	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-96.9	138.3	175	-63.9	177.8	177.6	-173.7	0	109.7	F42 Y129 S130 I131	F42-K44 PolarHBondContact O-N 2.82Å; K44-Y129 WeakPolarHBondContact CA-O 3.46Å; K44-S130 WeakPolarHBondContact CD-O 3.33Å; K44-I131 VanDerWaalsContact CE-O 3.29Å; K44-I131 WeakPolarHBondContact CE-O 3.48Å
45	K	72.3	Confident	63.3	Low	54 Å²	54	89.8 Å²	89.8	24%	0.235	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-81.4	120.3	171.3	-174	163.7	174.2	172.9	0	109.8	F47 Y129 D389	K45-F47 HydrophobicContact CB-CZ 4.31Å; K45-F47 HydrophobicContact CD-CD1 4.29Å; K45-F47 HydrophobicContact CD-CE1 3.59Å; K45-F47 HydrophobicContact CD-CZ 4.01Å; K45-F47 HydrophobicContact CG-CD1 4.19Å; K45-F47 HydrophobicContact CG-CE1 3.83Å; K45-F47 HydrophobicContact CG-CZ 4.11Å; K45-F47 PolarHBondContact O-N 3.25Å; K45-Y129 HydrophobicContact CB-CD1 3.77Å; K45-Y129 HydrophobicContact CB-CD2 3.96Å; K45-Y129 HydrophobicContact CB-CE1 3.73Å; K45-Y129 HydrophobicContact CB-CE2 3.88Å; K45-Y129 HydrophobicContact CB-CG 3.87Å; K45-Y129 HydrophobicContact CD-CD1 3.77Å; K45-Y129 HydrophobicContact CD-CE1 3.51Å; K45-Y129 HydrophobicContact CG-CD1 4.43Å; K45-Y129 HydrophobicContact CG-CE1 4.22Å; K45-Y129 PolarHBondContact N-O 3.04Å; K45-D389 IonicContact NZ-OD1 2.64Å; K45-D389 PolarHBondContact NZ-OD1 3.16Å
46	H	65.3	Low	62.7	Low	115 Å²	115	85.1 Å²	85.1	53%	0.532	43%	0.432	S	S	.	.			trans	-82.7	109.5	167.2	-70.1	-78.4	0	0	0	108.6	K48	H46-K48 PolarHBondContact O-N 2.79Å
47	F	59.7	Low	62.5	Low	27 Å²	27	89.4 Å²	89.4	12%	0.118	45%	0.449	C	S	.	.			trans	-75.9	115.3	169.7	-60	-68.3	0	0	0	107.9	K45 V118 P119 V122	K45-F47 HydrophobicContact CB-CZ 4.31Å; K45-F47 HydrophobicContact CD-CD1 4.29Å; K45-F47 HydrophobicContact CD-CE1 3.59Å; K45-F47 HydrophobicContact CD-CZ 4.01Å; K45-F47 HydrophobicContact CG-CD1 4.19Å; K45-F47 HydrophobicContact CG-CE1 3.83Å; K45-F47 HydrophobicContact CG-CZ 4.11Å; K45-F47 PolarHBondContact O-N 3.25Å; F47-V118 HydrophobicContact CE2-CG1 4.37Å; F47-P119 HydrophobicContact CB-CG 4.26Å; F47-V122 HydrophobicContact CB-CG2 4.49Å; F47-V122 HydrophobicContact CD1-CG2 3.36Å; F47-V122 HydrophobicContact CD2-CG2 3.74Å; F47-V122 HydrophobicContact CE1-CB 4.04Å; F47-V122 HydrophobicContact CE1-CG1 3.7Å; F47-V122 HydrophobicContact CE1-CG2 3.3Å; F47-V122 HydrophobicContact CE2-CB 4.4Å; F47-V122 HydrophobicContact CE2-CG1 3.77Å; F47-V122 HydrophobicContact CE2-CG2 3.67Å; F47-V122 HydrophobicContact CG-CG2 3.59Å; F47-V122 HydrophobicContact CZ-CB 3.99Å; F47-V122 HydrophobicContact CZ-CG1 3.24Å; F47-V122 HydrophobicContact CZ-CG2 3.48Å; F47-V122 VanDerWaalsContact CZ-CG2 3.48Å
48	K	51.5	Low	62.4	Low	84 Å²	84	91.3 Å²	91.3	37%	0.365	46%	0.461	S	S	.	.			trans	-58.2	145.4	159.5	-83.6	-179.9	179.8	-178.1	0	107.6	H46 I50	H46-K48 PolarHBondContact O-N 2.79Å; K48-I50 HydrophobicContact CB-CB 4.44Å; K48-I50 HydrophobicContact CB-CD1 3.81Å; K48-I50 HydrophobicContact CB-CG1 3.17Å; K48-I50 HydrophobicContact CD-CD1 3.9Å; K48-I50 HydrophobicContact CD-CG1 3.83Å; K48-I50 HydrophobicContact CG-CD1 4.45Å; K48-I50 HydrophobicContact CG-CG1 4.13Å; K48-I50 PolarHBondContact O-N 3.41Å
49	E	42.4	Very low	62.8	Low	195 Å²	195	88.3 Å²	88.3	91%	0.911	43%	0.434	S	S	*	.			trans	-69.4	66.9	156.7	-69.6	175	-177	0	0	107.5	F51	E49-F51 PolarHBondContact O-N 3.31Å
50	I	37.9	Very low	63.5	Low	103 Å²	103	85.6 Å²	85.6	53%	0.528	42%	0.422	S	S	.	.			trans	-72.1	132.6	177.8	-51.8	-175.6	0	0	0	107.1	K48 H52	K48-I50 HydrophobicContact CB-CB 4.44Å; K48-I50 HydrophobicContact CB-CD1 3.81Å; K48-I50 HydrophobicContact CB-CG1 3.17Å; K48-I50 HydrophobicContact CD-CD1 3.9Å; K48-I50 HydrophobicContact CD-CG1 3.83Å; K48-I50 HydrophobicContact CG-CD1 4.45Å; K48-I50 HydrophobicContact CG-CG1 4.13Å; K48-I50 PolarHBondContact O-N 3.41Å; I50-H52 PolarHBondContact O-N 3.43Å
51	F	42.6	Very low	64.3	Low	189 Å²	189	87.2 Å²	87.2	83%	0.829	43%	0.432	S	S	*	.			trans	-34	127.6	-179.2	-82.5	-98.5	0	0	0	114.3	E49 N53	E49-F51 PolarHBondContact O-N 3.31Å; F51-N53 PolarHBondContact O-N 3.27Å
52	H	40.9	Very low	64.8	Low	139 Å²	139	90.6 Å²	90.6	64%	0.644	45%	0.45	S	S	*	.			trans	-34.6	89.2	173	-70	-85.7	0	0	0	115.5	I50 D54 K120	I50-H52 PolarHBondContact O-N 3.43Å; H52-D54 IonicContact CE1-OD1 3.91Å; H52-D54 IonicContact CG-OD1 3.62Å; H52-D54 IonicContact ND1-OD1 2.83Å; H52-D54 PolarHBondContact ND1-OD1 3.05Å; H52-D54 IonicContact ND1-OD2 3.69Å; H52-D54 PolarHBondContact O-N 3.31Å; H52-D54 VanDerWaalsContact O-N 3.13Å; H52-K120 PolarHBondContact CE1-NZ 3.36Å; H52-K120 PolarHBondContact ND1-NZ 2.95Å; H52-K120 VanDerWaalsContact ND1-NZ 3.19Å
53	N	44.1	Very low	65.1	Low	138 Å²	138	85.3 Å²	85.3	74%	0.738	43%	0.431	S	S	*	.			trans	-80.5	74.9	144.7	-85	-28.6	0	0	0	107.5	F51 L55	F51-N53 PolarHBondContact O-N 3.27Å; N53-L55 PolarHBondContact O-N 2.76Å
54	D	49.7	Very low	65.4	Low	85 Å²	85	83.9 Å²	83.9	46%	0.455	43%	0.425	S	S	.	.			trans	-62.7	103.2	176.7	-87.2	0.3	0	0	0	108.9	H52 S56 K120	H52-D54 IonicContact CE1-OD1 3.91Å; H52-D54 IonicContact CG-OD1 3.62Å; H52-D54 IonicContact ND1-OD1 2.83Å; H52-D54 PolarHBondContact ND1-OD1 3.05Å; H52-D54 IonicContact ND1-OD2 3.69Å; H52-D54 PolarHBondContact O-N 3.31Å; H52-D54 VanDerWaalsContact O-N 3.13Å; D54-S56 PolarHBondContact O-N 3.02Å; D54-K120 IonicContact OD1-NZ 3.77Å; D54-K120 PolarHBondContact OD1-NZ 3.47Å; D54-K120 IonicContact OD2-NZ 3.39Å
55	L	57.1	Low	66	Low	85 Å²	85	83.6 Å²	83.6	45%	0.445	43%	0.425	S	S	.	.			trans	-49.5	132.5	154.6	-84.1	115.7	0	0	0	107.4	N53 K57 Q290 E291	N53-L55 PolarHBondContact O-N 2.76Å; L55-K57 PolarHBondContact O-N 3.25Å; L55-Q290 HydrophobicContact CD1-CB 4.4Å; L55-E291 HydrophobicContact CD2-CG 4.15Å
56	S	59.5	Low	66.8	Low	85 Å²	85	85.4 Å²	85.4	59%	0.594	43%	0.433	S	S	*	.			trans	-59.7	118.2	-179.2	55.6	0	0	0	0	109.6	D54 T58	D54-S56 PolarHBondContact O-N 3.02Å; S56-T58 VanDerWaalsContact C-N 3.26Å; S56-T58 PolarHBondContact O-N 3.11Å; S56-T58 PolarHBondContact O-OG1 3.36Å
57	K	69.8	Low	67.7	Low	95 Å²	95	80.9 Å²	80.9	41%	0.413	41%	0.411	S	S	.	.			trans	-69.6	83.5	178.2	-66.8	-177.3	-178.1	178.2	0	110.1	L55 E291 K293	L55-K57 PolarHBondContact O-N 3.25Å; K57-E291 CarbonylContact C-O 3.53Å; K57-E291 WeakPolarHBondContact CA-O 3.4Å; K57-K293 HydrophobicContact CB-CG 4.23Å; K57-K293 WeakPolarHBondContact O-CE 3.47Å; K57-K293 VanDerWaalsContact O-CG 3.26Å; K57-K293 WeakPolarHBondContact O-CG 3.3Å
58	T	76.9	Confident	69.1	Low	83 Å²	83	79.6 Å²	79.6	51%	0.509	41%	0.405	S	S	.	.			trans	-100	-29.5	-171.6	47.4	0	0	0	0	112.4	S56 E291	S56-T58 VanDerWaalsContact C-N 3.26Å; S56-T58 PolarHBondContact O-N 3.11Å; S56-T58 PolarHBondContact O-OG1 3.36Å; T58-E291 PolarHBondContact N-O 2.9Å
59	L	80.9	Confident	70.9	Confident	15 Å²	15	76.4 Å²	76.4	8%	0.079	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-78.5	128.4	-172.4	-62.9	177.3	0	0	0	112.3	L216 R288 E291 V292 K293	L59-L216 HydrophobicContact CD2-CD2 4.33Å; L59-R288 HydrophobicContact CD1-CB 4.04Å; L59-E291 WeakPolarHBondContact CB-O 3.24Å; L59-E291 HydrophobicContact CD1-CB 3.69Å; L59-E291 HydrophobicContact CG-CB 3.99Å; L59-E291 PolarHBondContact N-O 3.15Å; L59-V292 HydrophobicContact CB-CG2 4.18Å; L59-V292 HydrophobicContact CD1-CG2 4.46Å; L59-K293 PolarHBondContact O-N 3.36Å; L59-K293 VanDerWaalsContact O-N 3.16Å
60	T	87.9	Confident	72.9	Confident	65 Å²	65	67.7 Å²	67.7	40%	0.399	35%	0.352	S	S	.	.			trans	-92.4	161	170.7	63.8	0	0	0	0	110.6	L62 S63 L64	T60-L62 PolarHBondContact O-N 3.24Å; T60-S63 PolarHBondContact N-OG 3.23Å; T60-S63 PolarHBondContact O-N 2.97Å; T60-S63 PolarHBondContact O-OG 2.79Å; T60-S63 PolarHBondContact OG1-N 3.36Å; T60-S63 PolarHBondContact OG1-OG 3.41Å; T60-L64 WeakPolarHBondContact O-CB 3.47Å; T60-L64 PolarHBondContact O-N 3.35Å
61	T	90.9	Very high	75.1	Confident	35 Å²	35	63 Å²	63	22%	0.215	33%	0.328	C	S	.	.	H	α-helix	trans	-53.9	-41.2	176.7	-46.6	0	0	0	0	112.2	L64 I65 S298 V301	T61-L64 WeakPolarHBondContact O-CB 3.31Å; T61-L64 PolarHBondContact O-N 3.28Å; T61-I65 HydrophobicContact CG2-CD1 4.3Å; T61-I65 WeakPolarHBondContact O-CG1 3.5Å; T61-I65 PolarHBondContact O-N 3.3Å; T61-S298 WeakPolarHBondContact OG1-CB 3.45Å; T61-S298 PolarHBondContact OG1-OG 3.49Å; T61-V301 HydrophobicContact CG2-CB 4.46Å; T61-V301 HydrophobicContact CG2-CG1 4.15Å
62	L	90.1	Very high	77.4	Confident	110 Å²	110	54 Å²	54	58%	0.576	29%	0.289	S	S	*	.	H	α-helix	trans	-65.4	-46.9	179.6	-174	69.1	0	0	0	111.9	T60 L64 I65 F66	T60-L62 PolarHBondContact O-N 3.24Å; L62-L64 PolarHBondContact O-N 2.93Å; L62-I65 PolarHBondContact O-N 3.24Å; L62-F66 HydrophobicContact CD1-CD2 4.28Å; L62-F66 HydrophobicContact CD1-CE2 3.74Å; L62-F66 HydrophobicContact CD2-CE2 4.18Å; L62-F66 HydrophobicContact CG-CD2 4.01Å; L62-F66 HydrophobicContact CG-CE2 3.69Å; L62-F66 VanDerWaalsContact O-CD2 3.27Å; L62-F66 WeakPolarHBondContact O-CD2 3.21Å; L62-F66 PolarHBondContact O-N 2.9Å; L62-F66 VanDerWaalsContact O-N 3.09Å
63	S	87.3	Confident	79.6	Confident	32 Å²	32	47.6 Å²	47.6	22%	0.224	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-32.5	175.4	63.6	0	0	0	0	112.3	T60 Y67	T60-S63 PolarHBondContact N-OG 3.23Å; T60-S63 PolarHBondContact O-N 2.97Å; T60-S63 PolarHBondContact O-OG 2.79Å; T60-S63 PolarHBondContact OG1-N 3.36Å; T60-S63 PolarHBondContact OG1-OG 3.41Å; S63-Y67 WeakPolarHBondContact O-CB 3.43Å; S63-Y67 PolarHBondContact O-N 3.02Å
64	L	88.2	Confident	81.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-73.7	-37	179.8	-167.9	64.7	0	0	0	111.9	T60 T61 L62 Y67 G68 P285 V292 L299 A302	T60-L64 WeakPolarHBondContact O-CB 3.47Å; T60-L64 PolarHBondContact O-N 3.35Å; T61-L64 WeakPolarHBondContact O-CB 3.31Å; T61-L64 PolarHBondContact O-N 3.28Å; L62-L64 PolarHBondContact O-N 2.93Å; L64-Y67 HydrophobicContact CD1-CD1 4.41Å; L64-Y67 PolarHBondContact O-N 3.17Å; L64-G68 PolarHBondContact O-N 2.81Å; L64-P285 HydrophobicContact CD1-CB 3.65Å; L64-P285 HydrophobicContact CD2-CB 4.29Å; L64-P285 HydrophobicContact CG-CB 3.72Å; L64-V292 HydrophobicContact CD1-CG2 4.28Å; L64-V292 HydrophobicContact CD2-CG2 3.93Å; L64-L299 HydrophobicContact CD2-CD2 3.81Å; L64-A302 HydrophobicContact CB-CB 3.96Å; L64-A302 HydrophobicContact CD2-CB 3.6Å; L64-A302 HydrophobicContact CG-CB 3.66Å
65	I	91.6	Very high	83	Confident	22 Å²	22	37.2 Å²	37.2	11%	0.113	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-51	171.5	-68.5	162.2	0	0	0	110.2	T61 L62 Y67 G68 L69 A302 T305 I309	T61-I65 HydrophobicContact CG2-CD1 4.3Å; T61-I65 WeakPolarHBondContact O-CG1 3.5Å; T61-I65 PolarHBondContact O-N 3.3Å; L62-I65 PolarHBondContact O-N 3.24Å; I65-Y67 VanDerWaalsContact C-N 3.27Å; I65-Y67 PolarHBondContact O-N 3.12Å; I65-G68 WeakPolarHBondContact O-CA 3.28Å; I65-G68 PolarHBondContact O-N 2.8Å; I65-L69 HydrophobicContact CG2-CD1 4.39Å; I65-L69 WeakPolarHBondContact O-CG 3.33Å; I65-L69 PolarHBondContact O-N 3.27Å; I65-A302 HydrophobicContact CG1-CB 3.9Å; I65-T305 HydrophobicContact CD1-CG2 4.15Å; I65-T305 HydrophobicContact CG2-CG2 4.38Å; I65-I309 HydrophobicContact CG2-CD1 4.47Å
66	F	88.1	Confident	84.4	Confident	91 Å²	91	33.2 Å²	33.2	40%	0.399	18%	0.184	S	C	.	.	H	α-helix	trans	-61	-37.2	178	-77	-63.7	0	0	0	112.7	L62 L69 T70 V220	L62-F66 HydrophobicContact CD1-CD2 4.28Å; L62-F66 HydrophobicContact CD1-CE2 3.74Å; L62-F66 HydrophobicContact CD2-CE2 4.18Å; L62-F66 HydrophobicContact CG-CD2 4.01Å; L62-F66 HydrophobicContact CG-CE2 3.69Å; L62-F66 VanDerWaalsContact O-CD2 3.27Å; L62-F66 WeakPolarHBondContact O-CD2 3.21Å; L62-F66 PolarHBondContact O-N 2.9Å; L62-F66 VanDerWaalsContact O-N 3.09Å; F66-L69 HydrophobicContact CD1-CD1 4.24Å; F66-L69 PolarHBondContact O-N 3.37Å; F66-T70 WeakPolarHBondContact O-CB 3.19Å; F66-T70 PolarHBondContact O-N 2.87Å; F66-T70 PolarHBondContact O-OG1 3.27Å; F66-V220 HydrophobicContact CB-CG1 4.36Å
67	Y	85.2	Confident	85.7	Confident	20 Å²	20	29.2 Å²	29.2	8%	0.078	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-43	172.8	178.4	-112.4	0	0	0	111.9	S63 L64 I65 T70 C71 A284 R288	S63-Y67 WeakPolarHBondContact O-CB 3.43Å; S63-Y67 PolarHBondContact O-N 3.02Å; L64-Y67 HydrophobicContact CD1-CD1 4.41Å; L64-Y67 PolarHBondContact O-N 3.17Å; I65-Y67 VanDerWaalsContact C-N 3.27Å; I65-Y67 PolarHBondContact O-N 3.12Å; Y67-T70 WeakPolarHBondContact O-CB 3.11Å; Y67-T70 PolarHBondContact O-N 3.2Å; Y67-C71 VanDerWaalsContact CE2-SG 3.51Å; Y67-C71 VanDerWaalsContact CZ-SG 3.5Å; Y67-C71 PolarHBondContact O-N 3.35Å; Y67-C71 PolarHBondContact O-SG 2.98Å; Y67-A284 HydrophobicContact CE1-CB 4.46Å; Y67-R288 HydrophobicContact CE1-CG 3.94Å
68	G	88.8	Confident	86.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-46.6	173.7	0	0	0	0	0	113.1	L64 I65 T70 C71 M72	L64-G68 PolarHBondContact O-N 2.81Å; I65-G68 WeakPolarHBondContact O-CA 3.28Å; I65-G68 PolarHBondContact O-N 2.8Å; G68-T70 VanDerWaalsContact C-N 3.31Å; G68-T70 PolarHBondContact O-N 3.06Å; G68-C71 PolarHBondContact O-N 3.33Å; G68-M72 WeakPolarHBondContact O-CG 3.11Å; G68-M72 PolarHBondContact O-N 3Å
69	L	89.1	Confident	86.8	Confident	17 Å²	17	21 Å²	21	9%	0.089	11%	0.113	C	C	.	.	H	α-helix	trans	-58.2	-44.1	174.4	-65	178.2	0	0	0	111.5	I65 F66 C71 M72 L73 I309 V310	I65-L69 HydrophobicContact CG2-CD1 4.39Å; I65-L69 WeakPolarHBondContact O-CG 3.33Å; I65-L69 PolarHBondContact O-N 3.27Å; F66-L69 HydrophobicContact CD1-CD1 4.24Å; F66-L69 PolarHBondContact O-N 3.37Å; L69-C71 VanDerWaalsContact C-N 3.3Å; L69-C71 PolarHBondContact O-N 3.1Å; L69-M72 PolarHBondContact O-N 3.49Å; L69-L73 HydrophobicContact CB-CD1 4.47Å; L69-L73 VanDerWaalsContact O-CB 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.17Å; L69-L73 WeakPolarHBondContact O-CG 3.36Å; L69-L73 PolarHBondContact O-N 2.98Å; L69-I309 HydrophobicContact CD1-CD1 4.41Å; L69-I309 HydrophobicContact CD1-CG2 4.43Å; L69-I309 HydrophobicContact CD2-CB 3.84Å; L69-I309 HydrophobicContact CD2-CD1 4.42Å; L69-I309 HydrophobicContact CD2-CG2 3.64Å; L69-V310 HydrophobicContact CD2-CG2 3.71Å
70	T	84.1	Confident	87.2	Confident	12 Å²	12	20.3 Å²	20.3	7%	0.074	11%	0.109	C	C	.	.	H	α-helix	trans	-62.3	-37.5	178.1	-57.9	0	0	0	0	112.4	F66 Y67 G68 S223	F66-T70 WeakPolarHBondContact O-CB 3.19Å; F66-T70 PolarHBondContact O-N 2.87Å; F66-T70 PolarHBondContact O-OG1 3.27Å; Y67-T70 WeakPolarHBondContact O-CB 3.11Å; Y67-T70 PolarHBondContact O-N 3.2Å; G68-T70 VanDerWaalsContact C-N 3.31Å; G68-T70 PolarHBondContact O-N 3.06Å; T70-S223 VanDerWaalsContact CA-OG 3.26Å; T70-S223 WeakPolarHBondContact CA-OG 3.41Å; T70-S223 VanDerWaalsContact OG1-CB 3.25Å; T70-S223 WeakPolarHBondContact OG1-CB 3.39Å; T70-S223 PolarHBondContact OG1-OG 2.85Å
71	C	85.2	Confident	87.5	Confident	4 Å²	4	17.2 Å²	17.2	3%	0.027	9%	0.09	C	C	.	.	H	α-helix	trans	-77	-34.5	-178.5	-73.8	0	0	0	0	113.3	Y67 G68 L69 R281 A284	Y67-C71 VanDerWaalsContact CE2-SG 3.51Å; Y67-C71 VanDerWaalsContact CZ-SG 3.5Å; Y67-C71 PolarHBondContact O-N 3.35Å; Y67-C71 PolarHBondContact O-SG 2.98Å; G68-C71 PolarHBondContact O-N 3.33Å; L69-C71 VanDerWaalsContact C-N 3.3Å; L69-C71 PolarHBondContact O-N 3.1Å; C71-R281 HydrophobicContact CB-CB 4.19Å; C71-R281 WeakPolarHBondContact O-CD 3.38Å; C71-A284 HydrophobicContact CB-CB 3.79Å
72	M	89.5	Confident	87.5	Confident	2 Å²	2	15.6 Å²	15.6	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-84.7	-34	-179.6	-66.6	-176.5	-128	0	0	112.8	G68 L69 D74 F279 S306 I307 V310	G68-M72 WeakPolarHBondContact O-CG 3.11Å; G68-M72 PolarHBondContact O-N 3Å; L69-M72 PolarHBondContact O-N 3.49Å; M72-D74 VanDerWaalsContact C-N 3.26Å; M72-D74 PolarHBondContact O-N 3.25Å; M72-F279 HydrophobicContact SD-CD1 4.47Å; M72-S306 WeakPolarHBondContact CE-OG 3.27Å; M72-I307 HydrophobicContact CE-CG1 3.89Å; M72-I307 HydrophobicContact SD-CG1 4.02Å; M72-V310 HydrophobicContact CB-CG1 4.28Å; M72-V310 HydrophobicContact CB-CG2 3.95Å; M72-V310 HydrophobicContact SD-CG2 4.24Å
73	L	87.3	Confident	87.5	Confident	3 Å²	3	10.4 Å²	10.4	2%	0.016	5%	0.053	C	C	.	.	S	Bend	trans	-85.8	69.2	-179.6	-63	169.7	0	0	0	111.2	L69 I77 N226 V227 V310	L69-L73 HydrophobicContact CB-CD1 4.47Å; L69-L73 VanDerWaalsContact O-CB 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.17Å; L69-L73 WeakPolarHBondContact O-CG 3.36Å; L69-L73 PolarHBondContact O-N 2.98Å; L73-I77 VanDerWaalsContact CA-CD1 3.45Å; L73-I77 HydrophobicContact CB-CD1 3.88Å; L73-I77 HydrophobicContact CD2-CD1 3.55Å; L73-I77 HydrophobicContact CD2-CG1 4.28Å; L73-I77 HydrophobicContact CG-CD1 4.32Å; L73-N226 PolarHBondContact O-ND2 3.41Å; L73-V227 HydrophobicContact CD1-CB 4.1Å; L73-V227 HydrophobicContact CD1-CG1 3.94Å; L73-V227 HydrophobicContact CD1-CG2 3.22Å; L73-V227 HydrophobicContact CG-CG2 4.47Å; L73-V310 HydrophobicContact CD1-CG2 4.28Å; L73-V310 HydrophobicContact CD2-CG1 4Å; L73-V310 HydrophobicContact CD2-CG2 4.08Å; L73-V310 HydrophobicContact CG-CG2 3.95Å
74	D	85.3	Confident	87.8	Confident	6 Å²	6	8.9 Å²	8.9	3%	0.032	4%	0.042	C	C	.	.	S	Bend	trans	-115.6	-160.4	-177.4	69.2	9.4	0	0	0	112.6	M72 G76 I77 Y78 V155 R281	M72-D74 VanDerWaalsContact C-N 3.26Å; M72-D74 PolarHBondContact O-N 3.25Å; D74-G76 PolarHBondContact O-N 3.19Å; D74-G76 WeakPolarHBondContact OD1-CA 3.34Å; D74-G76 PolarHBondContact OD1-N 2.92Å; D74-I77 WeakPolarHBondContact O-CD1 3.27Å; D74-I77 VanDerWaalsContact O-CG1 3.28Å; D74-I77 WeakPolarHBondContact O-CG1 3.4Å; D74-Y78 WeakPolarHBondContact O-CE2 2.75Å; D74-V155 HydrophobicContact CB-CG2 4.14Å; D74-R281 IonicContact OD2-CZ 3.16Å; D74-R281 IonicContact OD2-NE 3.95Å; D74-R281 PolarHBondContact OD2-NE 3.04Å; D74-R281 IonicContact OD2-NH1 2.8Å; D74-R281 PolarHBondContact OD2-NH1 2.89Å; D74-R281 IonicContact OD2-NH2 2.81Å; D74-R281 PolarHBondContact OD2-NH2 3.22Å
75	G	81.1	Confident	88	Confident	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.4	-23.8	177.4	0	0	0	0	0	114.3	I77 Y78 V79 S158	G75-I77 VanDerWaalsContact C-N 3.32Å; G75-I77 PolarHBondContact O-N 3.34Å; G75-Y78 PolarHBondContact O-N 3.29Å; G75-V79 WeakPolarHBondContact O-CG2 3.41Å; G75-V79 PolarHBondContact O-N 3.43Å; G75-S158 WeakPolarHBondContact CA-OG 3.49Å; G75-S158 PolarHBondContact O-OG 3.36Å
76	G	85.1	Confident	87.9	Confident	1 Å²	1	9 Å²	9	1%	0.01	5%	0.045	C	C	.	.	H	α-helix	trans	-67	-29.1	-175.6	0	0	0	0	0	113.9	D74 S80 N277	D74-G76 PolarHBondContact O-N 3.19Å; D74-G76 WeakPolarHBondContact OD1-CA 3.34Å; D74-G76 PolarHBondContact OD1-N 2.92Å; G76-S80 WeakPolarHBondContact O-CB 3.23Å; G76-S80 PolarHBondContact O-N 3.37Å; G76-S80 PolarHBondContact O-OG 3.09Å; G76-N277 VanDerWaalsContact CA-ND2 3.34Å; G76-N277 WeakPolarHBondContact CA-ND2 3.47Å; G76-N277 PolarHBondContact O-ND2 3.25Å
77	I	88.4	Confident	87.8	Confident	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-68.8	-42.8	178.5	-13.7	145.3	0	0	0	111.4	L73 D74 G75 S80 T81 L230 A278 T314	L73-I77 VanDerWaalsContact CA-CD1 3.45Å; L73-I77 HydrophobicContact CB-CD1 3.88Å; L73-I77 HydrophobicContact CD2-CD1 3.55Å; L73-I77 HydrophobicContact CD2-CG1 4.28Å; L73-I77 HydrophobicContact CG-CD1 4.32Å; D74-I77 WeakPolarHBondContact O-CD1 3.27Å; D74-I77 VanDerWaalsContact O-CG1 3.28Å; D74-I77 WeakPolarHBondContact O-CG1 3.4Å; G75-I77 VanDerWaalsContact C-N 3.32Å; G75-I77 PolarHBondContact O-N 3.34Å; I77-S80 WeakPolarHBondContact CA-OG 3.44Å; I77-S80 PolarHBondContact O-OG 3.4Å; I77-S80 VanDerWaalsContact O-OG 3.13Å; I77-T81 WeakPolarHBondContact O-CB 3.4Å; I77-T81 PolarHBondContact O-N 3.04Å; I77-T81 PolarHBondContact O-OG1 3.49Å; I77-L230 HydrophobicContact CD1-CD2 4.43Å; I77-A278 HydrophobicContact CG2-CB 4.08Å; I77-T314 HydrophobicContact CG2-CG2 3.26Å
78	Y	83.5	Confident	87.8	Confident	4 Å²	4	8.1 Å²	8.1	2%	0.016	5%	0.047	C	C	.	.	H	α-helix	trans	-66.1	-45	-176	-55.9	-51.4	0	0	0	111.1	D74 G75 N226 L230 F336 F364 L368	D74-Y78 WeakPolarHBondContact O-CE2 2.75Å; G75-Y78 PolarHBondContact O-N 3.29Å; Y78-N226 PolarHBondContact OH-ND2 3.18Å; Y78-N226 VanDerWaalsContact OH-ND2 3.14Å; Y78-N226 PolarHBondContact OH-OD1 3.11Å; Y78-L230 HydrophobicContact CE1-CD1 4.31Å; Y78-F336 AromaticContact CD1-CD2 3.99Å; Y78-F336 HydrophobicContact CD1-CD2 3.99Å; Y78-F336 HydrophobicContact CD1-CE2 4.13Å; Y78-F364 HydrophobicContact CD1-CD2 4.47Å; Y78-F364 HydrophobicContact CD1-CE2 4.05Å; Y78-F364 HydrophobicContact CD1-CZ 4.09Å; Y78-F364 AromaticContact CE1-CD1 3.98Å; Y78-F364 HydrophobicContact CE1-CD1 3.98Å; Y78-F364 HydrophobicContact CE1-CD2 4.2Å; Y78-F364 AromaticContact CE1-CE1 3.56Å; Y78-F364 HydrophobicContact CE1-CE1 3.56Å; Y78-F364 AromaticContact CE1-CE2 3.81Å; Y78-F364 HydrophobicContact CE1-CE2 3.81Å; Y78-F364 HydrophobicContact CE1-CG 4.29Å; Y78-F364 AromaticContact CE1-CZ 3.46Å; Y78-F364 HydrophobicContact CE1-CZ 3.46Å; Y78-F364 VanDerWaalsContact CE1-CZ 3.46Å; Y78-F364 HydrophobicContact CE2-CD1 4.45Å; Y78-F364 HydrophobicContact CE2-CG 4.42Å; Y78-F364 AromaticContact CZ-CD1 3.68Å; Y78-F364 AromaticContact CZ-CE1 3.7Å; Y78-F364 VanDerWaalsContact OH-CD1 3.29Å; Y78-F364 WeakPolarHBondContact OH-CD1 3.35Å; Y78-F364 WeakPolarHBondContact OH-CE1 3.24Å; Y78-L368 HydrophobicContact CD2-CD1 4.25Å; Y78-L368 HydrophobicContact CD2-CD2 4.3Å; Y78-L368 HydrophobicContact CE2-CD1 4.18Å; Y78-L368 HydrophobicContact CE2-CD2 3.93Å; Y78-L368 HydrophobicContact CE2-CG 4.17Å
79	V	85.8	Confident	87.8	Confident	1 Å²	1	8.1 Å²	8.1	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-71.9	-42.3	178.2	179.3	0	0	0	0	111.5	G75 T81 S83 L154 A426 Q427	G75-V79 WeakPolarHBondContact O-CG2 3.41Å; G75-V79 PolarHBondContact O-N 3.43Å; V79-T81 VanDerWaalsContact C-N 3.34Å; V79-T81 PolarHBondContact O-N 3.11Å; V79-S83 WeakPolarHBondContact O-CB 3.13Å; V79-S83 PolarHBondContact O-N 3.28Å; V79-L154 HydrophobicContact CG2-CD1 4.36Å; V79-A426 HydrophobicContact CG1-CB 4.02Å; V79-A426 HydrophobicContact CG2-CB 3.69Å; V79-Q427 HydrophobicContact CG1-CB 4.29Å
80	S	89.5	Confident	87.8	Confident	1 Å²	1	7.3 Å²	7.3	1%	0.007	4%	0.043	C	C	.	.	H	α-helix	trans	-64.4	-39.8	-179.2	57.3	0	0	0	0	111.9	G76 I77 V84 Y97	G76-S80 WeakPolarHBondContact O-CB 3.23Å; G76-S80 PolarHBondContact O-N 3.37Å; G76-S80 PolarHBondContact O-OG 3.09Å; I77-S80 WeakPolarHBondContact CA-OG 3.44Å; I77-S80 PolarHBondContact O-OG 3.4Å; I77-S80 VanDerWaalsContact O-OG 3.13Å; S80-V84 VanDerWaalsContact O-CB 3.22Å; S80-V84 WeakPolarHBondContact O-CB 3.29Å; S80-V84 WeakPolarHBondContact O-CG2 3.35Å; S80-V84 PolarHBondContact O-N 3.42Å; S80-Y97 VanDerWaalsContact C-OH 3.28Å; S80-Y97 WeakPolarHBondContact CB-OH 3.46Å; S80-Y97 PolarHBondContact OG-OH 3.38Å
81	T	92.7	Very high	88.1	Confident	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.1	-47.2	-177.2	-51.9	0	0	0	0	110.9	I77 V79 I85 Y97 A318 L321 F336	I77-T81 WeakPolarHBondContact O-CB 3.4Å; I77-T81 PolarHBondContact O-N 3.04Å; I77-T81 PolarHBondContact O-OG1 3.49Å; V79-T81 VanDerWaalsContact C-N 3.34Å; V79-T81 PolarHBondContact O-N 3.11Å; T81-I85 HydrophobicContact CG2-CD1 3.76Å; T81-I85 WeakPolarHBondContact O-CD1 3.36Å; T81-I85 VanDerWaalsContact O-CG1 3.26Å; T81-I85 WeakPolarHBondContact O-CG1 3.38Å; T81-I85 PolarHBondContact O-N 3.06Å; T81-Y97 WeakPolarHBondContact CA-OH 3.16Å; T81-Y97 PolarHBondContact N-OH 3.28Å; T81-Y97 PolarHBondContact OG1-OH 2.99Å; T81-Y97 VanDerWaalsContact OG1-OH 3.11Å; T81-A318 HydrophobicContact CG2-CB 4.06Å; T81-L321 HydrophobicContact CG2-CD2 3.99Å; T81-F336 HydrophobicContact CG2-CE2 4.21Å; T81-F336 HydrophobicContact CG2-CZ 3.75Å
82	G	91.6	Very high	88.3	Confident	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.7	-53.4	177.4	0	0	0	0	0	112.5	V84 I85 S86	G82-V84 PolarHBondContact O-N 3.25Å; G82-I85 PolarHBondContact O-N 3.48Å; G82-S86 PolarHBondContact O-N 2.97Å; G82-S86 PolarHBondContact O-OG 3.04Å
83	S	90.7	Very high	88.5	Confident	1 Å²	1	6.6 Å²	6.6	1%	0.007	4%	0.039	C	C	.	.	H	α-helix	trans	-54.8	-47.1	179	175.5	0	0	0	0	112.7	V79 I85 T87 A332 Q427	V79-S83 WeakPolarHBondContact O-CB 3.13Å; V79-S83 PolarHBondContact O-N 3.28Å; S83-I85 PolarHBondContact O-N 2.82Å; S83-T87 WeakPolarHBondContact O-CB 3.47Å; S83-T87 PolarHBondContact O-N 3.24Å; S83-T87 PolarHBondContact O-OG1 3.36Å; S83-A332 PolarHBondContact N-O 3.1Å; S83-Q427 PolarHBondContact OG-NE2 3.2Å
84	V	92.4	Very high	88.9	Confident	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63.3	-43.2	-178.7	165.4	0	0	0	0	111.8	S80 G82 Q88 T89 A93 A271 I274 S275	S80-V84 VanDerWaalsContact O-CB 3.22Å; S80-V84 WeakPolarHBondContact O-CB 3.29Å; S80-V84 WeakPolarHBondContact O-CG2 3.35Å; S80-V84 PolarHBondContact O-N 3.42Å; G82-V84 PolarHBondContact O-N 3.25Å; V84-Q88 PolarHBondContact O-N 3.45Å; V84-T89 HydrophobicContact CG1-CG2 4.29Å; V84-T89 VanDerWaalsContact CG1-OG1 3.23Å; V84-T89 WeakPolarHBondContact CG1-OG1 3.39Å; V84-T89 PolarHBondContact O-N 3.49Å; V84-T89 PolarHBondContact O-OG1 3.49Å; V84-A93 HydrophobicContact CG1-CB 3.86Å; V84-A271 HydrophobicContact CG1-CB 3.81Å; V84-A271 HydrophobicContact CG2-CB 4.47Å; V84-I274 HydrophobicContact CG2-CB 3.71Å; V84-I274 HydrophobicContact CG2-CG2 3.64Å; V84-S275 WeakPolarHBondContact CG2-OG 3.32Å
85	I	92.4	Very high	89.3	Confident	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	I	π-helix	trans	-71.2	-50.1	-177.5	-65.3	163.2	0	0	0	110.7	T81 G82 S83 G90 A93 L321 T322 W327 I330	T81-I85 HydrophobicContact CG2-CD1 3.76Å; T81-I85 WeakPolarHBondContact O-CD1 3.36Å; T81-I85 VanDerWaalsContact O-CG1 3.26Å; T81-I85 WeakPolarHBondContact O-CG1 3.38Å; T81-I85 PolarHBondContact O-N 3.06Å; G82-I85 PolarHBondContact O-N 3.48Å; S83-I85 PolarHBondContact O-N 2.82Å; I85-G90 WeakPolarHBondContact O-CA 3.32Å; I85-G90 PolarHBondContact O-N 3.25Å; I85-A93 HydrophobicContact CD1-CB 4.32Å; I85-A93 HydrophobicContact CG1-CB 3.39Å; I85-L321 HydrophobicContact CD1-CD2 3.6Å; I85-L321 HydrophobicContact CD1-CG 4.25Å; I85-T322 HydrophobicContact CD1-CG2 3.79Å; I85-T322 HydrophobicContact CG1-CG2 3.92Å; I85-T322 HydrophobicContact CG2-CG2 3.86Å; I85-W327 HydrophobicContact CG2-CB 3.65Å; I85-I330 HydrophobicContact CB-CD1 4.36Å; I85-I330 HydrophobicContact CD1-CD1 4.16Å; I85-I330 HydrophobicContact CG2-CD1 3.58Å
86	S	89.4	Confident	90	Very high	24 Å²	24	10.8 Å²	10.8	17%	0.168	6%	0.059	C	C	.	.	I	π-helix	trans	-72.5	-36.6	-173.3	62.8	0	0	0	0	112.7	G82 Y263 I330	G82-S86 PolarHBondContact O-N 2.97Å; G82-S86 PolarHBondContact O-OG 3.04Å; S86-Y263 PolarHBondContact O-OH 2.85Å; S86-I330 WeakPolarHBondContact CB-O 3.34Å
87	T	86.6	Confident	90.5	Very high	56 Å²	56	10.7 Å²	10.7	34%	0.344	6%	0.058	S	C	.	.	I	π-helix	trans	-104.3	-21.3	-169.3	70.8	0	0	0	0	116.1	S83 Y263	S83-T87 WeakPolarHBondContact O-CB 3.47Å; S83-T87 PolarHBondContact O-N 3.24Å; S83-T87 PolarHBondContact O-OG1 3.36Å; T87-Y263 WeakPolarHBondContact O-CE1 3.32Å; T87-Y263 VanDerWaalsContact O-CZ 3.29Å
88	Q	86.2	Confident	90.9	Very high	37 Å²	37	14.7 Å²	14.7	17%	0.173	8%	0.079	C	C	.	.	I	π-helix	trans	-138.2	-25.8	-166.2	-73.1	-179.3	-10.2	0	0	117.2	V84 Y263 G267 S270 A271 I274	V84-Q88 PolarHBondContact O-N 3.45Å; Q88-Y263 WeakPolarHBondContact O-CB 3.42Å; Q88-Y263 WeakPolarHBondContact O-CD2 3.31Å; Q88-G267 CarbonylContact O-C 3.6Å; Q88-G267 WeakPolarHBondContact O-CA 3.44Å; Q88-S270 VanDerWaalsContact OE1-C 3.23Å; Q88-S270 PolarHBondContact OE1-O 2.91Å; Q88-A271 HydrophobicContact CB-CB 3.97Å; Q88-I274 VanDerWaalsContact CD-CD1 3.5Å; Q88-I274 VanDerWaalsContact NE2-CD1 3.29Å; Q88-I274 VanDerWaalsContact OE1-CD1 3.26Å
89	T	88.6	Confident	91.5	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.094	C	C	.	.	I	π-helix	trans	-129.5	-28.2	-176.1	47.8	0	0	0	0	115	V84 S92 A93 A96 P262 L268 A271	V84-T89 HydrophobicContact CG1-CG2 4.29Å; V84-T89 VanDerWaalsContact CG1-OG1 3.23Å; V84-T89 WeakPolarHBondContact CG1-OG1 3.39Å; V84-T89 PolarHBondContact O-N 3.49Å; V84-T89 PolarHBondContact O-OG1 3.49Å; T89-S92 WeakPolarHBondContact CB-OG 3.34Å; T89-S92 PolarHBondContact O-OG 2.99Å; T89-A93 VanDerWaalsContact OG1-CA 3.32Å; T89-A93 WeakPolarHBondContact OG1-CA 3.26Å; T89-A93 WeakPolarHBondContact OG1-CB 3.21Å; T89-A96 HydrophobicContact CG2-CB 4.46Å; T89-P262 VanDerWaalsContact O-CD 3.28Å; T89-P262 WeakPolarHBondContact O-CD 3.36Å; T89-P262 WeakPolarHBondContact O-CG 3.24Å; T89-L268 HydrophobicContact CG2-CD1 4.06Å; T89-A271 HydrophobicContact CG2-CB 3.23Å
90	G	88.9	Confident	92	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	57.6	-126.2	-167	0	0	0	0	0	110.9	I85 S92 A93	I85-G90 WeakPolarHBondContact O-CA 3.32Å; I85-G90 PolarHBondContact O-N 3.25Å; G90-S92 VanDerWaalsContact C-N 3.29Å; G90-S92 PolarHBondContact O-N 3.45Å; G90-A93 PolarHBondContact O-N 3.21Å
91	P	89.1	Confident	92.4	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.013	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-70.5	-17.2	-173.6	27.8	-32.6	0	0	0	114.6	A93 Y246 F260	P91-A93 VanDerWaalsContact C-N 3.25Å; P91-A93 PolarHBondContact O-N 3.31Å; P91-Y246 HydrophobicContact CB-CD1 4.44Å; P91-Y246 HydrophobicContact CB-CD2 3.87Å; P91-Y246 HydrophobicContact CB-CE1 4.34Å; P91-Y246 HydrophobicContact CB-CE2 3.74Å; P91-Y246 HydrophobicContact CB-CG 4.24Å; P91-Y246 PolarHBondContact O-OH 2.71Å; P91-F260 HydrophobicContact CB-CD2 4.42Å; P91-F260 HydrophobicContact CG-CD2 4.3Å; P91-F260 WeakPolarHBondContact CG-O 3.49Å
92	S	90.8	Very high	92.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-83.5	10.3	179.9	72.5	0	0	0	0	114.6	T89 G90 F94 L95 F260	T89-S92 WeakPolarHBondContact CB-OG 3.34Å; T89-S92 PolarHBondContact O-OG 2.99Å; G90-S92 VanDerWaalsContact C-N 3.29Å; G90-S92 PolarHBondContact O-N 3.45Å; S92-F94 VanDerWaalsContact C-N 3.29Å; S92-F94 PolarHBondContact O-N 3.03Å; S92-L95 WeakPolarHBondContact O-CB 3.35Å; S92-L95 PolarHBondContact O-N 3.32Å; S92-F260 WeakPolarHBondContact CB-O 3.29Å
93	A	93.1	Very high	92.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-55.7	-38.1	-175.8	0	0	0	0	0	114.2	V84 I85 T89 G90 P91 L95 A96 Y97 A318	V84-A93 HydrophobicContact CG1-CB 3.86Å; I85-A93 HydrophobicContact CD1-CB 4.32Å; I85-A93 HydrophobicContact CG1-CB 3.39Å; T89-A93 VanDerWaalsContact OG1-CA 3.32Å; T89-A93 WeakPolarHBondContact OG1-CA 3.26Å; T89-A93 WeakPolarHBondContact OG1-CB 3.21Å; G90-A93 PolarHBondContact O-N 3.21Å; P91-A93 VanDerWaalsContact C-N 3.25Å; P91-A93 PolarHBondContact O-N 3.31Å; A93-L95 PolarHBondContact O-N 2.98Å; A93-A96 WeakPolarHBondContact O-CB 3.41Å; A93-A96 PolarHBondContact O-N 2.94Å; A93-A96 VanDerWaalsContact O-N 3.12Å; A93-Y97 WeakPolarHBondContact O-CD2 3.41Å; A93-Y97 PolarHBondContact O-N 3.28Å; A93-A318 HydrophobicContact CB-CB 4.39Å
94	F	94.7	Very high	93.1	Very high	38 Å²	38	23.5 Å²	23.5	17%	0.167	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-31.8	178.4	75.5	-81.7	0	0	0	112.2	S92 Y97 I98 Y246 F260 L319	S92-F94 VanDerWaalsContact C-N 3.29Å; S92-F94 PolarHBondContact O-N 3.03Å; F94-Y97 PolarHBondContact O-N 3.21Å; F94-I98 HydrophobicContact CD2-CD1 4.02Å; F94-I98 HydrophobicContact CE2-CD1 4.35Å; F94-I98 WeakPolarHBondContact O-CG1 3.23Å; F94-I98 PolarHBondContact O-N 2.91Å; F94-Y246 WeakPolarHBondContact CE1-OH 3.49Å; F94-F260 AromaticContact CE1-CE2 3.83Å; F94-F260 HydrophobicContact CE1-CE2 3.83Å; F94-F260 AromaticContact CE1-CZ 3.61Å; F94-F260 HydrophobicContact CE1-CZ 3.61Å; F94-F260 HydrophobicContact CZ-CE2 4.44Å; F94-F260 AromaticContact CZ-CZ 3.87Å; F94-F260 HydrophobicContact CZ-CZ 3.87Å; F94-L319 HydrophobicContact CB-CB 4.11Å; F94-L319 HydrophobicContact CB-CD1 4.47Å; F94-L319 HydrophobicContact CD1-CD1 4.39Å; F94-L319 HydrophobicContact CD2-CD1 4.24Å; F94-L319 HydrophobicContact CG-CD1 4.09Å
95	L	95.1	Very high	93.3	Very high	58 Å²	58	25.1 Å²	25.1	30%	0.304	13%	0.129	S	C	.	.	H	α-helix	trans	-70.2	-35.8	179.7	-159.5	67.7	0	0	0	111	S92 A93 Y97 I98 I99 L268	S92-L95 WeakPolarHBondContact O-CB 3.35Å; S92-L95 PolarHBondContact O-N 3.32Å; A93-L95 PolarHBondContact O-N 2.98Å; L95-Y97 VanDerWaalsContact C-N 3.34Å; L95-I98 HydrophobicContact CD1-CD1 4.31Å; L95-I98 PolarHBondContact O-N 3.49Å; L95-I99 WeakPolarHBondContact O-CG1 3.35Å; L95-I99 PolarHBondContact O-N 2.79Å; L95-I99 VanDerWaalsContact O-N 3.14Å; L95-L268 HydrophobicContact CB-CD1 4.03Å; L95-L268 HydrophobicContact CD2-CD1 4.45Å; L95-L268 HydrophobicContact CD2-CD2 3.84Å; L95-L268 HydrophobicContact CG-CD1 4.5Å; L95-L268 HydrophobicContact CG-CD2 4.44Å
96	A	95.6	Very high	93.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.7	-40.4	172	0	0	0	0	0	111.5	T89 A93 I99 A100 L268 A271	T89-A96 HydrophobicContact CG2-CB 4.46Å; A93-A96 WeakPolarHBondContact O-CB 3.41Å; A93-A96 PolarHBondContact O-N 2.94Å; A93-A96 VanDerWaalsContact O-N 3.12Å; A96-I99 PolarHBondContact O-N 3.26Å; A96-A100 VanDerWaalsContact O-CB 3.3Å; A96-A100 WeakPolarHBondContact O-CB 3.44Å; A96-A100 PolarHBondContact O-N 2.98Å; A96-L268 HydrophobicContact CB-CD1 4.03Å; A96-A271 HydrophobicContact CB-CB 3.83Å
97	Y	96.1	Very high	93.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.1	-35.8	175.1	-81.2	-75.2	0	0	0	113.2	S80 T81 A93 F94 L95 A100 T101 A278 F279 T314 A318	S80-Y97 VanDerWaalsContact C-OH 3.28Å; S80-Y97 WeakPolarHBondContact CB-OH 3.46Å; S80-Y97 PolarHBondContact OG-OH 3.38Å; T81-Y97 WeakPolarHBondContact CA-OH 3.16Å; T81-Y97 PolarHBondContact N-OH 3.28Å; T81-Y97 PolarHBondContact OG1-OH 2.99Å; T81-Y97 VanDerWaalsContact OG1-OH 3.11Å; A93-Y97 WeakPolarHBondContact O-CD2 3.41Å; A93-Y97 PolarHBondContact O-N 3.28Å; F94-Y97 PolarHBondContact O-N 3.21Å; L95-Y97 VanDerWaalsContact C-N 3.34Å; Y97-A100 PolarHBondContact O-N 3.33Å; Y97-T101 WeakPolarHBondContact O-CB 3.23Å; Y97-T101 PolarHBondContact O-N 3.04Å; Y97-T101 PolarHBondContact O-OG1 3.47Å; Y97-A278 HydrophobicContact CE1-CB 4.04Å; Y97-F279 HydrophobicContact CD1-CE2 4.24Å; Y97-T314 HydrophobicContact CD1-CG2 4.48Å; Y97-T314 HydrophobicContact CE1-CG2 4.34Å; Y97-A318 HydrophobicContact CD2-CB 3.96Å; Y97-A318 HydrophobicContact CE2-CB 4.04Å
98	I	97.1	Very high	94	Very high	85 Å²	85	22 Å²	22	44%	0.436	11%	0.108	S	C	.	.	H	α-helix	trans	-61.7	-48.3	174.3	-68.4	169.7	0	0	0	110.3	F94 L95 T101 F102 T315	F94-I98 HydrophobicContact CD2-CD1 4.02Å; F94-I98 HydrophobicContact CE2-CD1 4.35Å; F94-I98 WeakPolarHBondContact O-CG1 3.23Å; F94-I98 PolarHBondContact O-N 2.91Å; L95-I98 HydrophobicContact CD1-CD1 4.31Å; L95-I98 PolarHBondContact O-N 3.49Å; I98-T101 PolarHBondContact O-N 3.33Å; I98-F102 PolarHBondContact O-N 3.45Å; I98-F102 VanDerWaalsContact O-N 3.09Å; I98-T315 HydrophobicContact CG1-CG2 3.62Å
99	I	95.7	Very high	94.4	Very high	67 Å²	67	21.6 Å²	21.6	34%	0.344	11%	0.107	S	C	.	.	H	α-helix	trans	-64.2	-44.2	178.9	-59.4	167.1	0	0	0	110.2	L95 A96 T101 F102 V103 L268 T272	L95-I99 WeakPolarHBondContact O-CG1 3.35Å; L95-I99 PolarHBondContact O-N 2.79Å; L95-I99 VanDerWaalsContact O-N 3.14Å; A96-I99 PolarHBondContact O-N 3.26Å; I99-T101 VanDerWaalsContact C-N 3.33Å; I99-T101 PolarHBondContact O-N 2.91Å; I99-F102 WeakPolarHBondContact O-CB 3.44Å; I99-F102 PolarHBondContact O-N 3.43Å; I99-V103 WeakPolarHBondContact O-CG2 3.4Å; I99-V103 PolarHBondContact O-N 2.88Å; I99-L268 HydrophobicContact CD1-CD2 4.4Å; I99-T272 HydrophobicContact CB-CG2 3.94Å; I99-T272 HydrophobicContact CG2-CG2 3.6Å
100	A	95.8	Very high	94.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.4	-39.7	177.6	0	0	0	0	0	112.3	A96 Y97 V103 A104 T272 F279	A96-A100 VanDerWaalsContact O-CB 3.3Å; A96-A100 WeakPolarHBondContact O-CB 3.44Å; A96-A100 PolarHBondContact O-N 2.98Å; Y97-A100 PolarHBondContact O-N 3.33Å; A100-V103 PolarHBondContact O-N 3.03Å; A100-A104 WeakPolarHBondContact O-CB 3.34Å; A100-A104 PolarHBondContact O-N 2.86Å; A100-T272 HydrophobicContact CB-CG2 4.12Å; A100-F279 HydrophobicContact CB-CD2 4.11Å; A100-F279 HydrophobicContact CB-CE2 3.95Å
101	T	97.4	Very high	94.6	Very high	13 Å²	13	22.7 Å²	22.7	8%	0.08	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-44.4	175.4	-56.6	0	0	0	0	110.8	Y97 I98 I99 A104 I105 F279 I307 G311	Y97-T101 WeakPolarHBondContact O-CB 3.23Å; Y97-T101 PolarHBondContact O-N 3.04Å; Y97-T101 PolarHBondContact O-OG1 3.47Å; I98-T101 PolarHBondContact O-N 3.33Å; I99-T101 VanDerWaalsContact C-N 3.33Å; I99-T101 PolarHBondContact O-N 2.91Å; T101-A104 PolarHBondContact O-N 2.91Å; T101-I105 HydrophobicContact CG2-CD1 4.28Å; T101-I105 WeakPolarHBondContact O-CG1 3.37Å; T101-I105 PolarHBondContact O-N 3.36Å; T101-F279 WeakPolarHBondContact OG1-CZ 3.41Å; T101-I307 HydrophobicContact CG2-CG2 3.89Å; T101-G311 WeakPolarHBondContact OG1-CA 3.15Å
102	F	96.8	Very high	94.7	Very high	109 Å²	109	22.6 Å²	22.6	48%	0.478	11%	0.111	S	C	.	.	H	α-helix	trans	-60.4	-47.5	176.5	175.9	-104.3	0	0	0	112	I98 I99 A104 I105 L106 L595	I98-F102 PolarHBondContact O-N 3.45Å; I98-F102 VanDerWaalsContact O-N 3.09Å; I99-F102 WeakPolarHBondContact O-CB 3.44Å; I99-F102 PolarHBondContact O-N 3.43Å; F102-A104 VanDerWaalsContact C-N 3.31Å; F102-A104 PolarHBondContact O-N 2.99Å; F102-I105 PolarHBondContact O-N 3.31Å; F102-L106 HydrophobicContact CD1-CD1 4.19Å; F102-L106 HydrophobicContact CE1-CD1 3.61Å; F102-L106 HydrophobicContact CE1-CG 4.39Å; F102-L106 HydrophobicContact CZ-CD1 3.81Å; F102-L106 HydrophobicContact CZ-CD2 4.45Å; F102-L106 HydrophobicContact CZ-CG 4.29Å; F102-L106 WeakPolarHBondContact O-CG 3.21Å; F102-L106 PolarHBondContact O-N 2.62Å; F102-L595 HydrophobicContact CE1-CD1 4.18Å
103	V	96.4	Very high	94.5	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-62	-39.5	176.6	179.9	0	0	0	0	111.3	I99 A100 L106 N107 F276 L595 L599	I99-V103 WeakPolarHBondContact O-CG2 3.4Å; I99-V103 PolarHBondContact O-N 2.88Å; A100-V103 PolarHBondContact O-N 3.03Å; V103-L106 PolarHBondContact O-N 3.44Å; V103-N107 PolarHBondContact O-N 3.05Å; V103-N107 PolarHBondContact O-ND2 3.39Å; V103-F276 HydrophobicContact CB-CD2 4.47Å; V103-F276 HydrophobicContact CB-CE2 4.24Å; V103-F276 HydrophobicContact CG1-CD2 4.35Å; V103-F276 HydrophobicContact CG1-CE2 3.87Å; V103-L595 HydrophobicContact CG1-CB 4.43Å; V103-L595 HydrophobicContact CG2-CB 4.29Å; V103-L595 HydrophobicContact CG2-CD1 4.18Å; V103-L599 HydrophobicContact CG1-CD1 3.85Å
104	A	96.1	Very high	94.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.7	-41.7	177.2	0	0	0	0	0	112.5	A100 T101 F102 L106 N107 S108 F276 F279 I307	A100-A104 WeakPolarHBondContact O-CB 3.34Å; A100-A104 PolarHBondContact O-N 2.86Å; T101-A104 PolarHBondContact O-N 2.91Å; F102-A104 VanDerWaalsContact C-N 3.31Å; F102-A104 PolarHBondContact O-N 2.99Å; A104-L106 PolarHBondContact O-N 2.88Å; A104-N107 PolarHBondContact O-N 2.6Å; A104-S108 VanDerWaalsContact O-CB 3.32Å; A104-S108 WeakPolarHBondContact O-CB 3.49Å; A104-S108 PolarHBondContact O-N 2.95Å; A104-F276 HydrophobicContact CB-CE2 4.04Å; A104-F279 HydrophobicContact CB-CB 3.55Å; A104-F279 HydrophobicContact CB-CD1 4.13Å; A104-F279 HydrophobicContact CB-CD2 4.37Å; A104-F279 HydrophobicContact CB-CG 3.77Å; A104-I307 HydrophobicContact CB-CG2 3.92Å
105	I	96.7	Very high	93.8	Very high	33 Å²	33	22 Å²	22	17%	0.169	11%	0.112	C	C	.	.	H	α-helix	trans	-58.6	-49.8	175.5	-70.6	168.8	0	0	0	110	T101 F102 N107 S108 L109 V304 I307 L308	T101-I105 HydrophobicContact CG2-CD1 4.28Å; T101-I105 WeakPolarHBondContact O-CG1 3.37Å; T101-I105 PolarHBondContact O-N 3.36Å; F102-I105 PolarHBondContact O-N 3.31Å; I105-N107 PolarHBondContact O-N 3.33Å; I105-S108 PolarHBondContact O-N 2.8Å; I105-S108 VanDerWaalsContact O-N 3.16Å; I105-S108 PolarHBondContact O-OG 3.37Å; I105-L109 HydrophobicContact CG2-CD1 4.02Å; I105-L109 HydrophobicContact CG2-CG 4.44Å; I105-L109 WeakPolarHBondContact O-CG 3.5Å; I105-L109 PolarHBondContact O-N 3.38Å; I105-V304 HydrophobicContact CG2-CG2 4.43Å; I105-I307 HydrophobicContact CD1-CG2 4.48Å; I105-I307 HydrophobicContact CG1-CB 4.27Å; I105-I307 HydrophobicContact CG1-CG2 3.67Å; I105-L308 HydrophobicContact CD1-CD2 3.76Å; I105-L308 HydrophobicContact CD1-CG 4.16Å
106	L	96.3	Very high	93.2	Very high	13 Å²	13	19.9 Å²	19.9	7%	0.068	10%	0.102	C	C	.	.	H	α-helix	trans	-57.4	-47.6	179	-67	-179.7	0	0	0	112.2	F102 V103 A104 S108 L109 I110 L588 L591 T592 L595	F102-L106 HydrophobicContact CD1-CD1 4.19Å; F102-L106 HydrophobicContact CE1-CD1 3.61Å; F102-L106 HydrophobicContact CE1-CG 4.39Å; F102-L106 HydrophobicContact CZ-CD1 3.81Å; F102-L106 HydrophobicContact CZ-CD2 4.45Å; F102-L106 HydrophobicContact CZ-CG 4.29Å; F102-L106 WeakPolarHBondContact O-CG 3.21Å; F102-L106 PolarHBondContact O-N 2.62Å; V103-L106 PolarHBondContact O-N 3.44Å; A104-L106 PolarHBondContact O-N 2.88Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 3.24Å; L106-L109 PolarHBondContact O-N 3.32Å; L106-I110 WeakPolarHBondContact O-CG1 3.4Å; L106-I110 PolarHBondContact O-N 3.09Å; L106-L588 HydrophobicContact CD2-CD1 4.29Å; L106-L588 HydrophobicContact CD2-CD2 3.87Å; L106-L588 HydrophobicContact CD2-CG 3.93Å; L106-L591 HydrophobicContact CD1-CD2 4.31Å; L106-T592 HydrophobicContact CB-CG2 3.95Å; L106-T592 WeakPolarHBondContact CB-OG1 3.38Å; L106-L595 HydrophobicContact CD1-CD1 3.79Å
107	N	94.9	Very high	92.2	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-59.9	-42.2	176.1	-79.9	-42.2	0	0	0	112.6	V103 A104 I105 L109 I110 Y111 F276 Y441 T592 N596	V103-N107 PolarHBondContact O-N 3.05Å; V103-N107 PolarHBondContact O-ND2 3.39Å; A104-N107 PolarHBondContact O-N 2.6Å; I105-N107 PolarHBondContact O-N 3.33Å; N107-L109 VanDerWaalsContact C-N 3.35Å; N107-L109 PolarHBondContact O-N 3.48Å; N107-I110 PolarHBondContact O-N 3.12Å; N107-Y111 PolarHBondContact O-N 3.45Å; N107-F276 WeakPolarHBondContact ND2-CZ 3.5Å; N107-Y441 HydrophobicContact CB-CD1 4.47Å; N107-Y441 HydrophobicContact CB-CD2 4.03Å; N107-Y441 HydrophobicContact CB-CE2 4.19Å; N107-Y441 HydrophobicContact CB-CG 4.19Å; N107-T592 WeakPolarHBondContact OD1-CG2 3.23Å; N107-N596 PolarHBondContact ND2-OD1 3.19Å; N107-N596 PolarHBondContact OD1-ND2 2.96Å; N107-N596 PolarHBondContact OD1-OD1 3.13Å
108	S	93.2	Very high	90.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.3	-33.2	-177.3	81	0	0	0	0	113.3	A104 I105 L106 Y111 S112 N303 I307	A104-S108 VanDerWaalsContact O-CB 3.32Å; A104-S108 WeakPolarHBondContact O-CB 3.49Å; A104-S108 PolarHBondContact O-N 2.95Å; I105-S108 PolarHBondContact O-N 2.8Å; I105-S108 VanDerWaalsContact O-N 3.16Å; I105-S108 PolarHBondContact O-OG 3.37Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 3.24Å; S108-Y111 PolarHBondContact O-N 2.95Å; S108-S112 WeakPolarHBondContact O-CB 3.47Å; S108-S112 PolarHBondContact O-N 3.16Å; S108-S112 PolarHBondContact O-OG 2.73Å; S108-N303 PolarHBondContact O-ND2 3.36Å; S108-I307 VanDerWaalsContact OG-CD1 3.26Å; S108-I307 WeakPolarHBondContact OG-CD1 3.34Å
109	L	93.6	Very high	88.6	Confident	27 Å²	27	22 Å²	22	14%	0.141	12%	0.116	C	C	.	.	H	α-helix	trans	-68	-43.8	176.5	-68.5	169.8	0	0	0	110.6	I105 L106 N107 Y111 S112 E113 V304 Y580 I582	I105-L109 HydrophobicContact CG2-CD1 4.02Å; I105-L109 HydrophobicContact CG2-CG 4.44Å; I105-L109 WeakPolarHBondContact O-CG 3.5Å; I105-L109 PolarHBondContact O-N 3.38Å; L106-L109 PolarHBondContact O-N 3.32Å; N107-L109 VanDerWaalsContact C-N 3.35Å; N107-L109 PolarHBondContact O-N 3.48Å; L109-Y111 VanDerWaalsContact C-N 3.33Å; L109-Y111 PolarHBondContact O-N 3.38Å; L109-S112 WeakPolarHBondContact CA-OG 3.34Å; L109-S112 PolarHBondContact O-N 3.45Å; L109-S112 PolarHBondContact O-OG 3.47Å; L109-E113 PolarHBondContact O-N 2.86Å; L109-V304 HydrophobicContact CD2-CG2 3.69Å; L109-V304 HydrophobicContact CG-CG2 4.31Å; L109-Y580 WeakPolarHBondContact CD2-OH 3.42Å; L109-I582 HydrophobicContact CB-CD1 3.56Å; L109-I582 HydrophobicContact CB-CG1 4.06Å
110	I	92.9	Very high	86.5	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-60.4	-46.9	176	-67	176.3	0	0	0	109.9	L106 N107 S112 E113 L114 N444 A445 V448 I582 L588 P589 T592	L106-I110 WeakPolarHBondContact O-CG1 3.4Å; L106-I110 PolarHBondContact O-N 3.09Å; N107-I110 PolarHBondContact O-N 3.12Å; I110-S112 VanDerWaalsContact C-N 3.34Å; I110-S112 PolarHBondContact O-N 2.85Å; I110-E113 PolarHBondContact O-N 3.4Å; I110-L114 PolarHBondContact O-N 3.12Å; I110-N444 HydrophobicContact CG2-CB 4.37Å; I110-A445 HydrophobicContact CD1-CB 4.11Å; I110-V448 HydrophobicContact CB-CG2 4.48Å; I110-V448 HydrophobicContact CG2-CB 4.09Å; I110-V448 HydrophobicContact CG2-CG2 3.48Å; I110-V448 VanDerWaalsContact CG2-CG2 3.48Å; I110-I582 HydrophobicContact CB-CD1 4.45Å; I110-I582 HydrophobicContact CG1-CD1 3.62Å; I110-L588 HydrophobicContact CG1-CD2 4.37Å; I110-P589 HydrophobicContact CD1-CB 4.29Å; I110-T592 HydrophobicContact CD1-CG2 3.63Å
111	Y	89.5	Confident	84.1	Confident	23 Å²	23	26.6 Å²	26.6	9%	0.09	14%	0.138	C	C	.	.	H	α-helix	trans	-66	-36	179.8	-164.9	-89	0	0	0	112.6	N107 S108 L109 E113 L114 A115 H127 S286 N444	N107-Y111 PolarHBondContact O-N 3.45Å; S108-Y111 PolarHBondContact O-N 2.95Å; L109-Y111 VanDerWaalsContact C-N 3.33Å; L109-Y111 PolarHBondContact O-N 3.38Å; Y111-E113 VanDerWaalsContact C-N 3.31Å; Y111-E113 PolarHBondContact O-N 2.98Å; Y111-L114 PolarHBondContact O-N 3.27Å; Y111-A115 HydrophobicContact CD1-CB 4.49Å; Y111-A115 HydrophobicContact CE1-CB 4.42Å; Y111-A115 WeakPolarHBondContact O-CB 3.37Å; Y111-A115 PolarHBondContact O-N 2.84Å; Y111-H127 AromaticContact CE2-CE1 4Å; Y111-S286 VanDerWaalsContact CE1-CB 3.41Å; Y111-N444 WeakPolarHBondContact CD2-ND2 3.48Å
112	S	90	Very high	81.9	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-35.3	178.1	67.4	0	0	0	0	113.1	S108 L109 I110 C116 Y580	S108-S112 WeakPolarHBondContact O-CB 3.47Å; S108-S112 PolarHBondContact O-N 3.16Å; S108-S112 PolarHBondContact O-OG 2.73Å; L109-S112 WeakPolarHBondContact CA-OG 3.34Å; L109-S112 PolarHBondContact O-N 3.45Å; L109-S112 PolarHBondContact O-OG 3.47Å; I110-S112 VanDerWaalsContact C-N 3.34Å; I110-S112 PolarHBondContact O-N 2.85Å; S112-C116 PolarHBondContact O-N 3.31Å; S112-C116 VanDerWaalsContact O-N 3.12Å; S112-C116 PolarHBondContact O-SG 3.42Å; S112-C116 VanDerWaalsContact O-SG 3.41Å; S112-Y580 WeakPolarHBondContact OG-CE1 3.45Å
113	E	88.6	Confident	80	Confident	4 Å²	4	22.4 Å²	22.4	2%	0.019	12%	0.122	C	C	.	.	H	α-helix	trans	-65.7	-46.9	172.6	174.1	169.1	170.8	0	0	111.8	L109 I110 Y111 A115 C116 H117 R452 Y580 I582	L109-E113 PolarHBondContact O-N 2.86Å; I110-E113 PolarHBondContact O-N 3.4Å; Y111-E113 VanDerWaalsContact C-N 3.31Å; Y111-E113 PolarHBondContact O-N 2.98Å; E113-A115 VanDerWaalsContact C-N 3.29Å; E113-A115 PolarHBondContact O-N 3Å; E113-C116 PolarHBondContact O-N 3.45Å; E113-H117 WeakPolarHBondContact O-CB 3.23Å; E113-H117 PolarHBondContact O-N 2.99Å; E113-R452 IonicContact OE1-CZ 2.6Å; E113-R452 IonicContact OE1-NE 2.87Å; E113-R452 PolarHBondContact OE1-NE 2.83Å; E113-R452 VanDerWaalsContact OE1-NE 3.1Å; E113-R452 IonicContact OE1-NH1 3.72Å; E113-R452 PolarHBondContact OE1-NH1 3.24Å; E113-R452 IonicContact OE1-NH2 3.18Å; E113-R452 PolarHBondContact OE1-NH2 3.32Å; E113-R452 IonicContact OE2-CZ 2.81Å; E113-R452 IonicContact OE2-NE 2.84Å; E113-R452 IonicContact OE2-NH2 3.41Å; E113-R452 PolarHBondContact OE2-NH2 3.2Å; E113-Y580 HydrophobicContact CB-CD1 4.05Å; E113-Y580 HydrophobicContact CB-CE1 4.33Å; E113-I582 WeakPolarHBondContact OE2-CB 3.27Å; E113-I582 WeakPolarHBondContact OE2-CG2 3.49Å; E113-I582 PolarHBondContact OE2-N 2.89Å
114	L	87.6	Confident	78.2	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-60.4	-41.2	177.5	-66	174	0	0	0	111.7	I110 Y111 C116 H117 V118 H127 I131 N444 V448 L451	I110-L114 PolarHBondContact O-N 3.12Å; Y111-L114 PolarHBondContact O-N 3.27Å; L114-C116 VanDerWaalsContact C-N 3.31Å; L114-C116 PolarHBondContact O-N 3.37Å; L114-H117 PolarHBondContact O-N 3.4Å; L114-V118 PolarHBondContact O-N 3.23Å; L114-H127 HydrophobicContact CB-CB 4.25Å; L114-H127 HydrophobicContact CD2-CB 4.3Å; L114-I131 HydrophobicContact CD2-CD1 3.86Å; L114-N444 HydrophobicContact CD1-CB 3.72Å; L114-V448 HydrophobicContact CD1-CG2 3.87Å; L114-V448 HydrophobicContact CD2-CG2 3.49Å; L114-V448 VanDerWaalsContact CD2-CG2 3.49Å; L114-V448 HydrophobicContact CG-CG2 3.43Å; L114-V448 VanDerWaalsContact CG-CG2 3.43Å; L114-L451 HydrophobicContact CD2-CD2 4.22Å
115	A	84.2	Confident	77.1	Confident	20 Å²	20	23.9 Å²	23.9	17%	0.165	13%	0.132	C	C	.	.	H	α-helix	trans	-67	-30.1	179.1	0	0	0	0	0	113.1	Y111 E113 A289 L299	Y111-A115 HydrophobicContact CD1-CB 4.49Å; Y111-A115 HydrophobicContact CE1-CB 4.42Å; Y111-A115 WeakPolarHBondContact O-CB 3.37Å; Y111-A115 PolarHBondContact O-N 2.84Å; E113-A115 VanDerWaalsContact C-N 3.29Å; E113-A115 PolarHBondContact O-N 3Å; A115-A289 HydrophobicContact CB-CB 4.38Å; A115-L299 HydrophobicContact CB-CD1 4.02Å
116	C	82.7	Confident	75.9	Confident	14 Å²	14	22.3 Å²	22.3	10%	0.095	12%	0.124	C	C	.	.	H	α-helix	trans	-75.6	-32.8	171.4	-73.7	0	0	0	0	112.5	S112 E113 L114 L579	S112-C116 PolarHBondContact O-N 3.31Å; S112-C116 VanDerWaalsContact O-N 3.12Å; S112-C116 PolarHBondContact O-SG 3.42Å; S112-C116 VanDerWaalsContact O-SG 3.41Å; E113-C116 PolarHBondContact O-N 3.45Å; L114-C116 VanDerWaalsContact C-N 3.31Å; L114-C116 PolarHBondContact O-N 3.37Å; C116-L579 HydrophobicContact CB-CD2 4.18Å; C116-L579 VanDerWaalsContact O-CD2 3.23Å; C116-L579 WeakPolarHBondContact O-CD2 3.19Å
117	H	74	Confident	75	Confident	50 Å²	50	22.1 Å²	22.1	23%	0.231	12%	0.123	C	C	.	.	H	α-helix	trans	-79.9	-23.6	-169.9	-166.4	-74.5	0	0	0	114.1	E113 L114 L451 L574	E113-H117 WeakPolarHBondContact O-CB 3.23Å; E113-H117 PolarHBondContact O-N 2.99Å; L114-H117 PolarHBondContact O-N 3.4Å; H117-L451 HydrophobicContact CB-CD2 4.12Å; H117-L451 WeakPolarHBondContact CE1-CD1 3.27Å; H117-L451 WeakPolarHBondContact NE2-CD1 3.27Å; H117-L574 VanDerWaalsContact CD2-CD1 3.47Å; H117-L574 WeakPolarHBondContact CD2-CD1 3.39Å; H117-L574 WeakPolarHBondContact NE2-CD1 3.41Å
118	V	66	Low	74.3	Confident	27 Å²	27	22 Å²	22	16%	0.164	12%	0.122	C	C	.	.	S	Bend	trans	-94	132.4	-175.3	-177.1	0	0	0	0	111.4	F47 L114 V122 H127	F47-V118 HydrophobicContact CE2-CG1 4.37Å; L114-V118 PolarHBondContact O-N 3.23Å; V118-V122 HydrophobicContact CG1-CB 3.27Å; V118-V122 HydrophobicContact CG1-CG1 3.27Å; V118-V122 HydrophobicContact CG1-CG2 3.45Å; V118-V122 VanDerWaalsContact CG1-CG2 3.45Å; V118-H127 HydrophobicContact CG2-CB 3.52Å
119	P	52.2	Low	73.7	Confident	53 Å²	53	22.5 Å²	22.5	34%	0.344	12%	0.124	S	C	.	.			trans	-58.7	165	-178.4	-24.7	33.3	0	0	0	115.7	F47 D121 V122	F47-P119 HydrophobicContact CB-CG 4.26Å; P119-D121 VanDerWaalsContact C-N 3.3Å; P119-D121 PolarHBondContact O-N 3.23Å; P119-V122 HydrophobicContact CB-CG2 4.3Å; P119-V122 WeakPolarHBondContact O-CB 3.13Å; P119-V122 VanDerWaalsContact O-CG2 3.26Å; P119-V122 WeakPolarHBondContact O-CG2 3.45Å; P119-V122 PolarHBondContact O-N 3Å
120	K	52.2	Low	72.9	Confident	71 Å²	71	21.7 Å²	21.7	31%	0.309	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.5	-172.5	-66.6	174.3	-179	169.8	0	115.8	H52 D54 V122 Q290	H52-K120 PolarHBondContact CE1-NZ 3.36Å; H52-K120 PolarHBondContact ND1-NZ 2.95Å; H52-K120 VanDerWaalsContact ND1-NZ 3.19Å; D54-K120 IonicContact OD1-NZ 3.77Å; D54-K120 PolarHBondContact OD1-NZ 3.47Å; D54-K120 IonicContact OD2-NZ 3.39Å; K120-V122 VanDerWaalsContact C-N 3.27Å; K120-V122 PolarHBondContact O-N 2.84Å; K120-Q290 PolarHBondContact O-NE2 2.88Å
121	D	45.5	Very low	72.4	Confident	92 Å²	92	22.3 Å²	22.3	49%	0.492	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	7.7	-179	-74.5	-23.9	0	0	0	114.1	P119	P119-D121 VanDerWaalsContact C-N 3.3Å; P119-D121 PolarHBondContact O-N 3.23Å
122	V	51.4	Low	72.3	Confident	13 Å²	13	22.4 Å²	22.4	8%	0.079	13%	0.126	C	C	.	.			trans	-102.2	138.5	-167.4	-170.9	0	0	0	0	112.7	F47 V118 P119 K120 Q290	F47-V122 HydrophobicContact CB-CG2 4.49Å; F47-V122 HydrophobicContact CD1-CG2 3.36Å; F47-V122 HydrophobicContact CD2-CG2 3.74Å; F47-V122 HydrophobicContact CE1-CB 4.04Å; F47-V122 HydrophobicContact CE1-CG1 3.7Å; F47-V122 HydrophobicContact CE1-CG2 3.3Å; F47-V122 HydrophobicContact CE2-CB 4.4Å; F47-V122 HydrophobicContact CE2-CG1 3.77Å; F47-V122 HydrophobicContact CE2-CG2 3.67Å; F47-V122 HydrophobicContact CG-CG2 3.59Å; F47-V122 HydrophobicContact CZ-CB 3.99Å; F47-V122 HydrophobicContact CZ-CG1 3.24Å; F47-V122 HydrophobicContact CZ-CG2 3.48Å; F47-V122 VanDerWaalsContact CZ-CG2 3.48Å; V118-V122 HydrophobicContact CG1-CB 3.27Å; V118-V122 HydrophobicContact CG1-CG1 3.27Å; V118-V122 HydrophobicContact CG1-CG2 3.45Å; V118-V122 VanDerWaalsContact CG1-CG2 3.45Å; P119-V122 HydrophobicContact CB-CG2 4.3Å; P119-V122 WeakPolarHBondContact O-CB 3.13Å; P119-V122 VanDerWaalsContact O-CG2 3.26Å; P119-V122 WeakPolarHBondContact O-CG2 3.45Å; P119-V122 PolarHBondContact O-N 3Å; K120-V122 VanDerWaalsContact C-N 3.27Å; K120-V122 PolarHBondContact O-N 2.84Å; V122-Q290 PolarHBondContact O-NE2 3.48Å
123	S	56.4	Low	72.1	Confident	21 Å²	21	22.4 Å²	22.4	15%	0.147	13%	0.126	C	C	.	.			trans	-65.9	158.5	172.5	51.2	0	0	0	0	112.3	H125 G126 D389	S123-H125 WeakPolarHBondContact CB-CE1 3.27Å; S123-H125 PolarHBondContact O-N 3.39Å; S123-H125 PolarHBondContact OG-CE1 3.06Å; S123-H125 PolarHBondContact OG-NE2 2.89Å; S123-G126 PolarHBondContact O-N 3.43Å; S123-D389 PolarHBondContact OG-OD2 2.62Å
124	C	59	Low	72.1	Confident	35 Å²	35	22.2 Å²	22.2	24%	0.236	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-7.1	-175.3	68.6	0	0	0	0	115	H127 I382	C124-H127 PolarHBondContact O-CE1 3.14Å; C124-H127 PolarHBondContact O-ND1 3.12Å; C124-I382 WeakPolarHBondContact SG-CD1 3.24Å
125	H	72	Confident	72.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-1.3	172.8	56.8	-90.1	0	0	0	113.4	S123 H127 A128 Y129 A141 I382 D389 F391	S123-H125 WeakPolarHBondContact CB-CE1 3.27Å; S123-H125 PolarHBondContact O-N 3.39Å; S123-H125 PolarHBondContact OG-CE1 3.06Å; S123-H125 PolarHBondContact OG-NE2 2.89Å; H125-H127 VanDerWaalsContact C-N 3.27Å; H125-H127 PolarHBondContact O-N 3.33Å; H125-A128 WeakPolarHBondContact O-CB 3.15Å; H125-A128 PolarHBondContact O-N 3.3Å; H125-Y129 PolarHBondContact O-N 3.22Å; H125-Y129 VanDerWaalsContact O-N 3.11Å; H125-A141 HydrophobicContact CB-CB 3.71Å; H125-A141 VanDerWaalsContact CG-CB 3.46Å; H125-I382 VanDerWaalsContact ND1-CD1 3.31Å; H125-I382 WeakPolarHBondContact ND1-CD1 3.29Å; H125-D389 IonicContact CD2-OD2 3.96Å; H125-D389 IonicContact CE1-OD2 3.46Å; H125-D389 PolarHBondContact CE1-OD2 2.93Å; H125-D389 IonicContact NE2-OD2 2.68Å; H125-D389 PolarHBondContact NE2-OD2 3Å; H125-F391 AromaticContact CD2-CE2 3.65Å; H125-F391 AromaticContact NE2-CE2 3.53Å
126	G	72	Confident	72.5	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-76	-10.7	-173.2	0	0	0	0	0	114.8	S123 Y129 S130	S123-G126 PolarHBondContact O-N 3.43Å; G126-Y129 PolarHBondContact O-N 3.38Å; G126-S130 WeakPolarHBondContact O-CB 3.48Å; G126-S130 PolarHBondContact O-N 2.85Å; G126-S130 PolarHBondContact O-OG 2.97Å
127	H	76.2	Confident	72.8	Confident	9 Å²	9	23.7 Å²	23.7	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-48.7	160.7	53.1	-91.1	0	0	0	110.7	Y111 L114 V118 C124 H125 Y129 S130 I131 N444	Y111-H127 AromaticContact CE2-CE1 4Å; L114-H127 HydrophobicContact CB-CB 4.25Å; L114-H127 HydrophobicContact CD2-CB 4.3Å; V118-H127 HydrophobicContact CG2-CB 3.52Å; C124-H127 PolarHBondContact O-CE1 3.14Å; C124-H127 PolarHBondContact O-ND1 3.12Å; H125-H127 VanDerWaalsContact C-N 3.27Å; H125-H127 PolarHBondContact O-N 3.33Å; H127-Y129 PolarHBondContact O-N 3.27Å; H127-S130 PolarHBondContact O-N 3.24Å; H127-S130 PolarHBondContact O-OG 2.87Å; H127-I131 HydrophobicContact CB-CD1 4.24Å; H127-I131 VanDerWaalsContact O-CB 3.26Å; H127-I131 WeakPolarHBondContact O-CB 3.24Å; H127-I131 WeakPolarHBondContact O-CD1 3.32Å; H127-I131 VanDerWaalsContact O-CG1 3.23Å; H127-I131 WeakPolarHBondContact O-CG1 3.23Å; H127-I131 PolarHBondContact O-N 3.39Å; H127-N444 PolarHBondContact CD2-OD1 3.35Å; H127-N444 PolarHBondContact NE2-OD1 3.07Å
128	A	80.2	Confident	73.6	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.8	-37.3	176.8	0	0	0	0	0	110.5	H125 L132 G133 A137 N140 I443	H125-A128 WeakPolarHBondContact O-CB 3.15Å; H125-A128 PolarHBondContact O-N 3.3Å; A128-L132 WeakPolarHBondContact O-CA 3.44Å; A128-L132 WeakPolarHBondContact O-CB 3.27Å; A128-L132 PolarHBondContact O-N 3.36Å; A128-G133 PolarHBondContact O-N 2.87Å; A128-A137 HydrophobicContact CB-CB 4.1Å; A128-N140 HydrophobicContact CB-CB 4.35Å; A128-I443 HydrophobicContact CB-CG2 4.24Å
129	Y	81.8	Confident	74.9	Confident	10 Å²	10	21.2 Å²	21.2	4%	0.039	12%	0.119	C	C	.	.	H	α-helix	trans	-67.9	-40.7	179.7	-160.4	-179.9	0	0	0	113.2	R43 K44 K45 H125 G126 H127 E134 A137 D389 F391 T630	R43-Y129 WeakPolarHBondContact O-CE2 3.42Å; K44-Y129 WeakPolarHBondContact CA-O 3.46Å; K45-Y129 HydrophobicContact CB-CD1 3.77Å; K45-Y129 HydrophobicContact CB-CD2 3.96Å; K45-Y129 HydrophobicContact CB-CE1 3.73Å; K45-Y129 HydrophobicContact CB-CE2 3.88Å; K45-Y129 HydrophobicContact CB-CG 3.87Å; K45-Y129 HydrophobicContact CD-CD1 3.77Å; K45-Y129 HydrophobicContact CD-CE1 3.51Å; K45-Y129 HydrophobicContact CG-CD1 4.43Å; K45-Y129 HydrophobicContact CG-CE1 4.22Å; K45-Y129 PolarHBondContact N-O 3.04Å; H125-Y129 PolarHBondContact O-N 3.22Å; H125-Y129 VanDerWaalsContact O-N 3.11Å; G126-Y129 PolarHBondContact O-N 3.38Å; H127-Y129 PolarHBondContact O-N 3.27Å; Y129-E134 HydrophobicContact CD2-CB 4.48Å; Y129-E134 HydrophobicContact CE2-CB 3.97Å; Y129-E134 HydrophobicContact CE2-CG 3.98Å; Y129-A137 VanDerWaalsContact CA-CB 3.41Å; Y129-A137 HydrophobicContact CD2-CB 4.29Å; Y129-A137 HydrophobicContact CG-CB 3.99Å; Y129-D389 HydrophobicContact CE1-CB 4.4Å; Y129-F391 HydrophobicContact CD1-CZ 4.01Å; Y129-F391 HydrophobicContact CE1-CE1 4.27Å; Y129-F391 AromaticContact CE1-CZ 3.99Å; Y129-F391 HydrophobicContact CE1-CZ 3.99Å; Y129-F391 HydrophobicContact CG-CZ 4.44Å; Y129-T630 WeakPolarHBondContact OH-CG2 3.32Å
130	S	77.2	Confident	76.7	Confident	10 Å²	10	18.9 Å²	18.9	7%	0.07	10%	0.104	C	C	.	.	H	α-helix	trans	-76.5	-33.7	177.7	49.7	0	0	0	0	113.2	K44 G126 H127	K44-S130 WeakPolarHBondContact CD-O 3.33Å; G126-S130 WeakPolarHBondContact O-CB 3.48Å; G126-S130 PolarHBondContact O-N 2.85Å; G126-S130 PolarHBondContact O-OG 2.97Å; H127-S130 PolarHBondContact O-N 3.24Å; H127-S130 PolarHBondContact O-OG 2.87Å
131	I	82.4	Confident	78.5	Confident	15 Å²	15	15.5 Å²	15.5	8%	0.077	9%	0.089	C	C	.	.	H	α-helix	trans	-92.4	-51	-171.8	-61.5	162.5	0	0	0	111.8	K44 L114 H127 C450 L451	K44-I131 VanDerWaalsContact CE-O 3.29Å; K44-I131 WeakPolarHBondContact CE-O 3.48Å; L114-I131 HydrophobicContact CD2-CD1 3.86Å; H127-I131 HydrophobicContact CB-CD1 4.24Å; H127-I131 VanDerWaalsContact O-CB 3.26Å; H127-I131 WeakPolarHBondContact O-CB 3.24Å; H127-I131 WeakPolarHBondContact O-CD1 3.32Å; H127-I131 VanDerWaalsContact O-CG1 3.23Å; H127-I131 WeakPolarHBondContact O-CG1 3.23Å; H127-I131 PolarHBondContact O-N 3.39Å; I131-C450 HydrophobicContact CG2-CB 3.53Å; I131-L451 HydrophobicContact CD1-CB 4.01Å; I131-L451 HydrophobicContact CD1-CD1 4.09Å; I131-L451 HydrophobicContact CD1-CD2 4.46Å; I131-L451 HydrophobicContact CD1-CG 4.42Å; I131-L451 HydrophobicContact CG1-CD1 4.25Å
132	L	85.8	Confident	80.8	Confident	25 Å²	25	11.3 Å²	11.3	13%	0.131	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-31.3	-170.9	-58.8	179.6	0	0	0	112.8	A128 P136 I443 I446 S447 C450	A128-L132 WeakPolarHBondContact O-CA 3.44Å; A128-L132 WeakPolarHBondContact O-CB 3.27Å; A128-L132 PolarHBondContact O-N 3.36Å; L132-P136 HydrophobicContact CB-CB 3.81Å; L132-P136 HydrophobicContact CB-CG 3.98Å; L132-P136 HydrophobicContact CD1-CB 4.05Å; L132-I443 HydrophobicContact CD1-CG2 3.7Å; L132-I446 HydrophobicContact CD2-CG2 4.03Å; L132-S447 VanDerWaalsContact CD1-OG 3.31Å; L132-S447 WeakPolarHBondContact CD1-OG 3.31Å; L132-C450 HydrophobicContact CD2-CB 4.12Å
133	G	86.5	Confident	82.7	Confident	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.062	C	C	.	.			trans	114.5	-174.2	179.5	0	0	0	0	0	113.2	R43 A128 A137	R43-G133 CarbonylContact O-C 3.53Å; R43-G133 VanDerWaalsContact O-CA 3.22Å; R43-G133 WeakPolarHBondContact O-CA 3.38Å; A128-G133 PolarHBondContact O-N 2.87Å; G133-A137 VanDerWaalsContact O-CB 3.26Å; G133-A137 WeakPolarHBondContact O-CB 3.22Å; G133-A137 PolarHBondContact O-N 3.49Å
134	E	88.4	Confident	84.3	Confident	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.3	-51.3	-167.4	-159.4	179.6	128.3	0	0	114.3	G40 L41 R43 Y129 A137 F138 F391 Y622 T630	G40-E134 VanDerWaalsContact O-CB 3.25Å; G40-E134 WeakPolarHBondContact O-CB 3.34Å; L41-E134 PolarHBondContact O-N 3.37Å; R43-E134 IonicContact CZ-OE2 2.66Å; R43-E134 IonicContact NE-OE2 3.27Å; R43-E134 PolarHBondContact NE-OE2 2.97Å; R43-E134 IonicContact NH2-OE2 2.82Å; R43-E134 PolarHBondContact NH2-OE2 3.28Å; R43-E134 PolarHBondContact O-N 2.98Å; Y129-E134 HydrophobicContact CD2-CB 4.48Å; Y129-E134 HydrophobicContact CE2-CB 3.97Å; Y129-E134 HydrophobicContact CE2-CG 3.98Å; E134-A137 WeakPolarHBondContact O-CB 3.38Å; E134-A137 PolarHBondContact O-N 3.3Å; E134-F138 PolarHBondContact O-N 3.33Å; E134-F391 HydrophobicContact CG-CE1 3.68Å; E134-F391 HydrophobicContact CG-CZ 4.42Å; E134-Y622 HydrophobicContact CG-CE2 4.12Å; E134-Y622 WeakPolarHBondContact CG-OH 3.3Å; E134-Y622 VanDerWaalsContact OE1-CE2 3.22Å; E134-Y622 WeakPolarHBondContact OE1-CE2 3.42Å; E134-Y622 VanDerWaalsContact OE1-CZ 3.3Å; E134-Y622 PolarHBondContact OE1-OH 2.95Å; E134-T630 HydrophobicContact CG-CG2 4.21Å; E134-T630 WeakPolarHBondContact OE1-CB 3.36Å; E134-T630 VanDerWaalsContact OE2-CG2 3.29Å; E134-T630 WeakPolarHBondContact OE2-CG2 3.32Å
135	L	90.2	Very high	85.9	Confident	42 Å²	42	9.2 Å²	9.2	22%	0.22	5%	0.051	C	C	.	.	H	α-helix	trans	-67	-47.4	-175	-178.7	149.1	0	0	0	112.9	L41 A137 F138 V139 F623	L41-L135 HydrophobicContact CD2-CD1 3.87Å; L41-L135 HydrophobicContact CG-CB 4.47Å; L41-L135 HydrophobicContact CG-CD1 3.96Å; L41-L135 WeakPolarHBondContact O-CB 3.24Å; L41-L135 PolarHBondContact O-N 3.49Å; L135-A137 PolarHBondContact O-N 2.94Å; L135-F138 PolarHBondContact O-N 3.18Å; L135-V139 HydrophobicContact CD2-CG2 4.27Å; L135-V139 WeakPolarHBondContact O-CG2 3.48Å; L135-V139 PolarHBondContact O-N 3.48Å; L135-F623 HydrophobicContact CD1-CZ 4.16Å
136	P	90.1	Very high	86.9	Confident	25 Å²	25	9.2 Å²	9.2	16%	0.162	5%	0.051	C	C	.	.	H	α-helix	trans	-59.6	-34.3	172.7	-24.9	35.2	0	0	0	112.8	L132 N140	L132-P136 HydrophobicContact CB-CB 3.81Å; L132-P136 HydrophobicContact CB-CG 3.98Å; L132-P136 HydrophobicContact CD1-CB 4.05Å; P136-N140 VanDerWaalsContact O-CB 3.27Å; P136-N140 WeakPolarHBondContact O-CB 3.3Å; P136-N140 PolarHBondContact O-N 2.93Å
137	A	89	Confident	87.9	Confident	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-68.3	-42	175.4	0	0	0	0	0	112.7	A128 Y129 G133 E134 L135 N140 A141 F391	A128-A137 HydrophobicContact CB-CB 4.1Å; Y129-A137 VanDerWaalsContact CA-CB 3.41Å; Y129-A137 HydrophobicContact CD2-CB 4.29Å; Y129-A137 HydrophobicContact CG-CB 3.99Å; G133-A137 VanDerWaalsContact O-CB 3.26Å; G133-A137 WeakPolarHBondContact O-CB 3.22Å; G133-A137 PolarHBondContact O-N 3.49Å; E134-A137 WeakPolarHBondContact O-CB 3.38Å; E134-A137 PolarHBondContact O-N 3.3Å; L135-A137 PolarHBondContact O-N 2.94Å; A137-N140 PolarHBondContact O-N 3.1Å; A137-A141 VanDerWaalsContact O-CB 3.27Å; A137-A141 WeakPolarHBondContact O-CB 3.37Å; A137-A141 PolarHBondContact O-N 3.5Å; A137-F391 HydrophobicContact CB-CZ 4.19Å
138	F	91.8	Very high	88.6	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.4	-49.7	173.3	175.3	-99.7	0	0	0	111	E134 L135 N140 A141 W142 F391 G618 L619 Y622	E134-F138 PolarHBondContact O-N 3.33Å; L135-F138 PolarHBondContact O-N 3.18Å; F138-N140 VanDerWaalsContact C-N 3.28Å; F138-N140 PolarHBondContact O-N 3.38Å; F138-A141 PolarHBondContact O-N 3.13Å; F138-W142 HydrophobicContact CE1-CB 4.17Å; F138-W142 HydrophobicContact CE1-CG 4.32Å; F138-W142 HydrophobicContact CE2-CB 4.35Å; F138-W142 HydrophobicContact CE2-CE3 4.31Å; F138-W142 HydrophobicContact CZ-CB 3.99Å; F138-W142 HydrophobicContact CZ-CD2 4.05Å; F138-W142 HydrophobicContact CZ-CE3 4.14Å; F138-W142 AromaticContact CZ-CG 3.99Å; F138-W142 HydrophobicContact CZ-CG 3.99Å; F138-W142 VanDerWaalsContact O-CB 3.22Å; F138-W142 WeakPolarHBondContact O-CB 3.3Å; F138-W142 PolarHBondContact O-N 2.8Å; F138-F391 HydrophobicContact CD2-CB 3.84Å; F138-F391 HydrophobicContact CD2-CD1 4.49Å; F138-F391 HydrophobicContact CD2-CD2 4.13Å; F138-F391 AromaticContact CD2-CG 3.92Å; F138-F391 HydrophobicContact CD2-CG 3.92Å; F138-F391 HydrophobicContact CE2-CB 4.23Å; F138-G618 WeakPolarHBondContact CZ-O 3.49Å; F138-L619 HydrophobicContact CD1-CD2 4.17Å; F138-L619 HydrophobicContact CE1-CD2 4.1Å; F138-Y622 HydrophobicContact CB-CD2 4.04Å; F138-Y622 HydrophobicContact CB-CE2 4.21Å; F138-Y622 HydrophobicContact CD1-CD2 4.19Å; F138-Y622 AromaticContact CD1-CG 3.93Å; F138-Y622 HydrophobicContact CD1-CG 3.93Å; F138-Y622 AromaticContact CD2-CD2 3.76Å; F138-Y622 HydrophobicContact CD2-CD2 3.76Å; F138-Y622 HydrophobicContact CD2-CG 4.2Å; F138-Y622 HydrophobicContact CE1-CG 4.24Å; F138-Y622 HydrophobicContact CE2-CD2 4.32Å; F138-Y622 HydrophobicContact CE2-CG 4.47Å; F138-Y622 AromaticContact CG-CD2 3.68Å; F138-Y622 HydrophobicContact CG-CD2 3.68Å; F138-Y622 HydrophobicContact CG-CE2 4.35Å; F138-Y622 AromaticContact CG-CG 3.92Å; F138-Y622 HydrophobicContact CG-CG 3.92Å
139	V	92.3	Very high	89.3	Confident	25 Å²	25	11.8 Å²	11.8	15%	0.152	6%	0.062	C	C	.	.	H	α-helix	trans	-57.5	-43.9	178	170.6	0	0	0	0	110.8	L135 S143 I443 M615	L135-V139 HydrophobicContact CD2-CG2 4.27Å; L135-V139 WeakPolarHBondContact O-CG2 3.48Å; L135-V139 PolarHBondContact O-N 3.48Å; V139-S143 VanDerWaalsContact O-CB 3.25Å; V139-S143 WeakPolarHBondContact O-CB 3.4Å; V139-S143 PolarHBondContact O-N 2.92Å; V139-S143 PolarHBondContact O-OG 3.05Å; V139-I443 HydrophobicContact CG1-CD1 4.06Å; V139-M615 HydrophobicContact CB-CE 4.2Å; V139-M615 HydrophobicContact CG1-CE 3.84Å; V139-M615 HydrophobicContact CG2-CE 3.98Å
140	N	90.7	Very high	89.9	Confident	4 Å²	4	11.3 Å²	11.3	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-65.2	-44.7	177.3	-173.6	73.2	0	0	0	112.3	A128 P136 A137 F138 T144 A440 I443	A128-N140 HydrophobicContact CB-CB 4.35Å; P136-N140 VanDerWaalsContact O-CB 3.27Å; P136-N140 WeakPolarHBondContact O-CB 3.3Å; P136-N140 PolarHBondContact O-N 2.93Å; A137-N140 PolarHBondContact O-N 3.1Å; F138-N140 VanDerWaalsContact C-N 3.28Å; F138-N140 PolarHBondContact O-N 3.38Å; N140-T144 WeakPolarHBondContact O-CB 3.42Å; N140-T144 PolarHBondContact O-N 3.45Å; N140-T144 PolarHBondContact O-OG1 3.32Å; N140-A440 WeakPolarHBondContact OD1-CB 3.21Å; N140-I443 HydrophobicContact CB-CD1 4.15Å; N140-I443 HydrophobicContact CB-CG2 4.38Å
141	A	90.6	Very high	90.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.2	-45.1	178.9	0	0	0	0	0	112	H125 A137 F138 T144 F145 M386	H125-A141 HydrophobicContact CB-CB 3.71Å; H125-A141 VanDerWaalsContact CG-CB 3.46Å; A137-A141 VanDerWaalsContact O-CB 3.27Å; A137-A141 WeakPolarHBondContact O-CB 3.37Å; A137-A141 PolarHBondContact O-N 3.5Å; F138-A141 PolarHBondContact O-N 3.13Å; A141-T144 PolarHBondContact O-N 3.14Å; A141-F145 WeakPolarHBondContact O-CB 3.37Å; A141-F145 PolarHBondContact O-N 3.24Å; A141-M386 HydrophobicContact CB-CG 3.81Å; A141-M386 HydrophobicContact CB-SD 3.71Å
142	W	93	Very high	91.2	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.015	6%	0.055	C	C	.	.	H	α-helix	trans	-66.6	-41.6	179.1	-168.8	-107.2	0	0	0	111.6	F138 F145 V146 M386 I392 W614 F617 G618 I621	F138-W142 HydrophobicContact CE1-CB 4.17Å; F138-W142 HydrophobicContact CE1-CG 4.32Å; F138-W142 HydrophobicContact CE2-CB 4.35Å; F138-W142 HydrophobicContact CE2-CE3 4.31Å; F138-W142 HydrophobicContact CZ-CB 3.99Å; F138-W142 HydrophobicContact CZ-CD2 4.05Å; F138-W142 HydrophobicContact CZ-CE3 4.14Å; F138-W142 AromaticContact CZ-CG 3.99Å; F138-W142 HydrophobicContact CZ-CG 3.99Å; F138-W142 VanDerWaalsContact O-CB 3.22Å; F138-W142 WeakPolarHBondContact O-CB 3.3Å; F138-W142 PolarHBondContact O-N 2.8Å; W142-F145 HydrophobicContact CE3-CD1 4.13Å; W142-F145 HydrophobicContact CH2-CD1 4.4Å; W142-F145 HydrophobicContact CH2-CE1 4.4Å; W142-F145 AromaticContact CZ3-CD1 3.96Å; W142-F145 HydrophobicContact CZ3-CD1 3.96Å; W142-F145 HydrophobicContact CZ3-CE1 4.19Å; W142-F145 WeakPolarHBondContact O-CB 3.29Å; W142-F145 PolarHBondContact O-N 3.46Å; W142-V146 WeakPolarHBondContact O-CG2 3.45Å; W142-V146 PolarHBondContact O-N 3.31Å; W142-M386 HydrophobicContact CE3-CE 4.44Å; W142-M386 HydrophobicContact CE3-SD 4.36Å; W142-I392 HydrophobicContact CZ3-CG2 4.32Å; W142-W614 AromaticContact CD1-CD1 3.82Å; W142-W614 AromaticContact CD1-NE1 3.9Å; W142-W614 AromaticContact CE2-CD1 3.79Å; W142-W614 AromaticContact CE2-NE1 3.19Å; W142-W614 AromaticContact CZ2-CE2 3.86Å; W142-W614 HydrophobicContact CZ2-CZ2 4.14Å; W142-W614 AromaticContact CZ2-NE1 3.29Å; W142-W614 VanDerWaalsContact CZ2-NE1 3.29Å; W142-W614 AromaticContact NE1-CD1 3.06Å; W142-W614 AromaticContact NE1-NE1 2.99Å; W142-W614 PolarHBondContact NE1-O 3.13Å; W142-W614 VanDerWaalsContact NE1-O 3.1Å; W142-F617 HydrophobicContact CH2-CD1 4.35Å; W142-F617 HydrophobicContact CH2-CE1 4.31Å; W142-F617 AromaticContact CZ2-CD1 3.83Å; W142-F617 HydrophobicContact CZ2-CD1 3.83Å; W142-F617 HydrophobicContact CZ2-CE1 4.24Å; W142-G618 VanDerWaalsContact CZ2-CA 3.48Å; W142-G618 VanDerWaalsContact NE1-CA 3.33Å; W142-I621 HydrophobicContact CH2-CD1 3.89Å; W142-I621 HydrophobicContact CZ2-CD1 4.49Å
143	S	91.9	Very high	91.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.8	-46.3	172.7	-56.4	0	0	0	0	111.2	V139 F145 V146 D147 Y611	V139-S143 VanDerWaalsContact O-CB 3.25Å; V139-S143 WeakPolarHBondContact O-CB 3.4Å; V139-S143 PolarHBondContact O-N 2.92Å; V139-S143 PolarHBondContact O-OG 3.05Å; S143-F145 VanDerWaalsContact C-N 3.27Å; S143-F145 PolarHBondContact O-N 3.04Å; S143-V146 WeakPolarHBondContact O-CB 3.37Å; S143-V146 PolarHBondContact O-N 3.28Å; S143-D147 WeakPolarHBondContact O-CB 3.31Å; S143-D147 PolarHBondContact O-N 3.47Å; S143-Y611 PolarHBondContact OG-OH 3.25Å
144	T	90.2	Very high	92	Very high	21 Å²	21	9.1 Å²	9.1	13%	0.129	5%	0.048	C	C	.	.	H	α-helix	trans	-61	-37.1	176.9	-56.1	0	0	0	0	111.9	N140 A141 D147 Y148	N140-T144 WeakPolarHBondContact O-CB 3.42Å; N140-T144 PolarHBondContact O-N 3.45Å; N140-T144 PolarHBondContact O-OG1 3.32Å; A141-T144 PolarHBondContact O-N 3.14Å; T144-D147 PolarHBondContact O-N 3.01Å; T144-Y148 HydrophobicContact CG2-CD2 4.22Å; T144-Y148 HydrophobicContact CG2-CE2 3.53Å; T144-Y148 WeakPolarHBondContact O-CD2 3.29Å; T144-Y148 PolarHBondContact O-N 3.15Å; T144-Y148 VanDerWaalsContact O-N 3.16Å
145	F	92	Very high	92.2	Very high	3 Å²	3	9.1 Å²	9.1	1%	0.013	5%	0.048	C	C	.	.	H	α-helix	trans	-65.2	-43.7	176.5	178.1	-127.5	0	0	0	112.3	A141 W142 S143 D147 Y148 I149 I382 C383 M386 F412 I413	A141-F145 WeakPolarHBondContact O-CB 3.37Å; A141-F145 PolarHBondContact O-N 3.24Å; W142-F145 HydrophobicContact CE3-CD1 4.13Å; W142-F145 HydrophobicContact CH2-CD1 4.4Å; W142-F145 HydrophobicContact CH2-CE1 4.4Å; W142-F145 AromaticContact CZ3-CD1 3.96Å; W142-F145 HydrophobicContact CZ3-CD1 3.96Å; W142-F145 HydrophobicContact CZ3-CE1 4.19Å; W142-F145 WeakPolarHBondContact O-CB 3.29Å; W142-F145 PolarHBondContact O-N 3.46Å; S143-F145 VanDerWaalsContact C-N 3.27Å; S143-F145 PolarHBondContact O-N 3.04Å; F145-D147 VanDerWaalsContact C-N 3.35Å; F145-Y148 PolarHBondContact O-N 3.03Å; F145-I149 HydrophobicContact CD1-CD1 4.36Å; F145-I149 HydrophobicContact CE1-CD1 3.94Å; F145-I149 HydrophobicContact CE2-CD1 4.12Å; F145-I149 HydrophobicContact CE2-CG1 4.5Å; F145-I149 HydrophobicContact CZ-CD1 3.81Å; F145-I149 PolarHBondContact O-N 3.43Å; F145-I382 HydrophobicContact CB-CG2 4.06Å; F145-I382 HydrophobicContact CD2-CG2 3.68Å; F145-I382 HydrophobicContact CG-CG2 4.31Å; F145-C383 HydrophobicContact CD2-CB 4.39Å; F145-C383 HydrophobicContact CE2-CB 3.93Å; F145-C383 HydrophobicContact CZ-CB 4.38Å; F145-M386 HydrophobicContact CB-CE 3.73Å; F145-M386 HydrophobicContact CD1-CE 3.93Å; F145-M386 HydrophobicContact CD2-CE 4.21Å; F145-M386 HydrophobicContact CG-CE 3.7Å; F145-F412 HydrophobicContact CE1-CD1 4.18Å; F145-F412 AromaticContact CE1-CE1 3.54Å; F145-F412 HydrophobicContact CE1-CE1 3.54Å; F145-F412 HydrophobicContact CE1-CZ 4.38Å; F145-F412 AromaticContact CZ-CD1 3.84Å; F145-F412 HydrophobicContact CZ-CD1 3.84Å; F145-F412 AromaticContact CZ-CE1 3.67Å; F145-F412 HydrophobicContact CZ-CE1 3.67Å; F145-I413 HydrophobicContact CE2-CD1 4.29Å; F145-I413 HydrophobicContact CE2-CG1 3.98Å; F145-I413 HydrophobicContact CZ-CG1 4.13Å
146	V	93	Very high	92.5	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.006	4%	0.038	C	C	.	.	H	α-helix	trans	-61	-45.2	172.7	175.6	0	0	0	0	111.5	W142 S143 Y148 I149 L150 F432 W614	W142-V146 WeakPolarHBondContact O-CG2 3.45Å; W142-V146 PolarHBondContact O-N 3.31Å; S143-V146 WeakPolarHBondContact O-CB 3.37Å; S143-V146 PolarHBondContact O-N 3.28Å; V146-Y148 PolarHBondContact O-N 3.41Å; V146-I149 PolarHBondContact O-N 3.2Å; V146-L150 HydrophobicContact CG1-CD1 3.53Å; V146-L150 HydrophobicContact CG1-CG 3.86Å; V146-L150 WeakPolarHBondContact O-CG 3.36Å; V146-L150 PolarHBondContact O-N 2.61Å; V146-F432 HydrophobicContact CG1-CZ 4.18Å; V146-W614 HydrophobicContact CG2-CD2 4.1Å; V146-W614 HydrophobicContact CG2-CG 3.81Å; V146-W614 HydrophobicContact CG2-CZ2 4.26Å
147	D	92.2	Very high	92.6	Very high	15 Å²	15	6 Å²	6	8%	0.08	3%	0.03	C	C	.	.	H	α-helix	trans	-56.7	-39.6	-179.3	-71.6	-1.3	0	0	0	110.5	S143 T144 F145 S151 L433 T437	S143-D147 WeakPolarHBondContact O-CB 3.31Å; S143-D147 PolarHBondContact O-N 3.47Å; T144-D147 PolarHBondContact O-N 3.01Å; F145-D147 VanDerWaalsContact C-N 3.35Å; D147-S151 WeakPolarHBondContact O-CB 3.45Å; D147-S151 PolarHBondContact O-N 3.39Å; D147-S151 PolarHBondContact O-OG 2.93Å; D147-L433 HydrophobicContact CB-CD1 3.72Å; D147-L433 WeakPolarHBondContact O-CD1 3.46Å; D147-T437 WeakPolarHBondContact OD2-CA 3.5Å; D147-T437 PolarHBondContact OD2-N 2.9Å; D147-T437 VanDerWaalsContact OD2-N 3.17Å; D147-T437 PolarHBondContact OD2-OG1 3.3Å
148	Y	92.2	Very high	92.8	Very high	47 Å²	47	6.1 Å²	6.1	18%	0.184	3%	0.032	C	C	.	.	H	α-helix	trans	-68.6	-40.3	174.3	-64.1	-46.6	0	0	0	113.7	T144 F145 V146 S151 V152 P375 A378 I382	T144-Y148 HydrophobicContact CG2-CD2 4.22Å; T144-Y148 HydrophobicContact CG2-CE2 3.53Å; T144-Y148 WeakPolarHBondContact O-CD2 3.29Å; T144-Y148 PolarHBondContact O-N 3.15Å; T144-Y148 VanDerWaalsContact O-N 3.16Å; F145-Y148 PolarHBondContact O-N 3.03Å; V146-Y148 PolarHBondContact O-N 3.41Å; Y148-S151 WeakPolarHBondContact O-CB 3.1Å; Y148-S151 PolarHBondContact O-N 2.8Å; Y148-V152 WeakPolarHBondContact O-CG2 3.3Å; Y148-V152 PolarHBondContact O-N 3.23Å; Y148-V152 VanDerWaalsContact O-N 3.12Å; Y148-P375 HydrophobicContact CD1-CB 4.41Å; Y148-A378 HydrophobicContact CD1-CB 3.79Å; Y148-A378 HydrophobicContact CD2-CB 4.05Å; Y148-A378 HydrophobicContact CE1-CB 3.6Å; Y148-A378 HydrophobicContact CE2-CB 3.86Å; Y148-A378 HydrophobicContact CG-CB 4.03Å; Y148-I382 HydrophobicContact CD2-CB 4.5Å; Y148-I382 HydrophobicContact CD2-CG2 3.74Å; Y148-I382 HydrophobicContact CE2-CB 4.19Å; Y148-I382 HydrophobicContact CE2-CG2 3.93Å
149	I	94.6	Very high	92.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.6	-51.4	175.8	-69.2	173.5	0	0	0	110	F145 V146 S151 V152 S153 F412 I413 F416 F420 W614	F145-I149 HydrophobicContact CD1-CD1 4.36Å; F145-I149 HydrophobicContact CE1-CD1 3.94Å; F145-I149 HydrophobicContact CE2-CD1 4.12Å; F145-I149 HydrophobicContact CE2-CG1 4.5Å; F145-I149 HydrophobicContact CZ-CD1 3.81Å; F145-I149 PolarHBondContact O-N 3.43Å; V146-I149 PolarHBondContact O-N 3.2Å; I149-S151 VanDerWaalsContact C-N 3.27Å; I149-S151 PolarHBondContact O-N 2.78Å; I149-V152 PolarHBondContact O-N 3.42Å; I149-V152 VanDerWaalsContact O-N 3.15Å; I149-S153 PolarHBondContact O-N 3.34Å; I149-S153 PolarHBondContact O-OG 3.13Å; I149-F412 HydrophobicContact CD1-CE1 4.3Å; I149-I413 HydrophobicContact CG1-CG2 4.44Å; I149-F416 HydrophobicContact CG2-CB 4.19Å; I149-F420 HydrophobicContact CG2-CD2 3.75Å; I149-F420 HydrophobicContact CG2-CE2 4.04Å; I149-W614 HydrophobicContact CD1-CZ2 4.33Å
150	L	94.3	Very high	93	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61.8	-35.9	178.5	-67.5	177.8	0	0	0	112.2	V146 S153 L154 F420 L429 F432 L433	V146-L150 HydrophobicContact CG1-CD1 3.53Å; V146-L150 HydrophobicContact CG1-CG 3.86Å; V146-L150 WeakPolarHBondContact O-CG 3.36Å; V146-L150 PolarHBondContact O-N 2.61Å; L150-S153 PolarHBondContact O-N 3Å; L150-L154 VanDerWaalsContact O-CB 3.27Å; L150-L154 WeakPolarHBondContact O-CB 3.3Å; L150-L154 PolarHBondContact O-N 3.06Å; L150-F420 HydrophobicContact CD2-CB 4.47Å; L150-F420 HydrophobicContact CD2-CD1 4.34Å; L150-F420 HydrophobicContact CD2-CD2 3.98Å; L150-F420 HydrophobicContact CD2-CE2 4.27Å; L150-F420 HydrophobicContact CD2-CG 4.03Å; L150-L429 HydrophobicContact CD2-CD2 3.91Å; L150-F432 HydrophobicContact CD1-CB 4.14Å; L150-F432 HydrophobicContact CD1-CD1 3.44Å; L150-F432 VanDerWaalsContact CD1-CD1 3.44Å; L150-F432 HydrophobicContact CD1-CD2 3.92Å; L150-F432 HydrophobicContact CD1-CE1 3.68Å; L150-F432 HydrophobicContact CD1-CE2 4.1Å; L150-F432 HydrophobicContact CD1-CG 3.56Å; L150-F432 HydrophobicContact CD1-CZ 3.99Å; L150-F432 HydrophobicContact CD2-CD1 3.46Å; L150-F432 VanDerWaalsContact CD2-CD1 3.46Å; L150-F432 HydrophobicContact CD2-CE1 3.63Å; L150-F432 HydrophobicContact CD2-CG 4.35Å; L150-F432 HydrophobicContact CG-CD1 4.09Å; L150-F432 HydrophobicContact CG-CE1 4.19Å; L150-L433 HydrophobicContact CB-CB 4.27Å; L150-L433 HydrophobicContact CB-CD1 4.2Å; L150-L433 HydrophobicContact CD1-CB 4.39Å
151	S	92.6	Very high	93.1	Very high	3 Å²	3	6.8 Å²	6.8	2%	0.021	3%	0.032	C	C	.	.	H	α-helix	trans	-60.6	-44.1	174.3	-74.2	0	0	0	0	112.2	D147 Y148 I149 V155 R281	D147-S151 WeakPolarHBondContact O-CB 3.45Å; D147-S151 PolarHBondContact O-N 3.39Å; D147-S151 PolarHBondContact O-OG 2.93Å; Y148-S151 WeakPolarHBondContact O-CB 3.1Å; Y148-S151 PolarHBondContact O-N 2.8Å; I149-S151 VanDerWaalsContact C-N 3.27Å; I149-S151 PolarHBondContact O-N 2.78Å; S151-V155 VanDerWaalsContact O-CG2 3.23Å; S151-V155 WeakPolarHBondContact O-CG2 3.34Å; S151-V155 PolarHBondContact O-N 2.99Å; S151-V155 VanDerWaalsContact O-N 3.09Å; S151-R281 VanDerWaalsContact CB-NH2 3.32Å
152	V	94.3	Very high	93.2	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.012	3%	0.032	C	C	.	.	H	α-helix	trans	-65.7	-44.1	176.2	-176.7	0	0	0	0	110	Y148 I149 L154 V155 A156 I201 L372 P375 M376 T417	Y148-V152 WeakPolarHBondContact O-CG2 3.3Å; Y148-V152 PolarHBondContact O-N 3.23Å; Y148-V152 VanDerWaalsContact O-N 3.12Å; I149-V152 PolarHBondContact O-N 3.42Å; I149-V152 VanDerWaalsContact O-N 3.15Å; V152-L154 PolarHBondContact O-N 3.37Å; V152-V155 PolarHBondContact O-N 2.94Å; V152-A156 WeakPolarHBondContact O-CB 3.22Å; V152-A156 PolarHBondContact O-N 3.47Å; V152-I201 HydrophobicContact CG1-CG1 4.39Å; V152-L372 HydrophobicContact CG1-CD2 3.94Å; V152-L372 WeakPolarHBondContact O-CD2 3.46Å; V152-P375 HydrophobicContact CG2-CB 3.86Å; V152-P375 HydrophobicContact CG2-CG 3.73Å; V152-M376 HydrophobicContact CG1-CE 4Å; V152-M376 HydrophobicContact CG2-CB 4.11Å; V152-T417 HydrophobicContact CB-CG2 3.57Å; V152-T417 HydrophobicContact CG1-CG2 3.47Å; V152-T417 VanDerWaalsContact CG1-CG2 3.47Å
153	S	95.2	Very high	93.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60.5	-43.6	177.8	-59	0	0	0	0	112.4	I149 L150 A156 R157 T417 F420	I149-S153 PolarHBondContact O-N 3.34Å; I149-S153 PolarHBondContact O-OG 3.13Å; L150-S153 PolarHBondContact O-N 3Å; S153-A156 PolarHBondContact O-N 3.19Å; S153-R157 WeakPolarHBondContact O-CB 3.46Å; S153-R157 WeakPolarHBondContact O-CG 3.2Å; S153-R157 PolarHBondContact O-N 3.09Å; S153-T417 WeakPolarHBondContact OG-CA 3.48Å; S153-T417 VanDerWaalsContact OG-CG2 3.28Å; S153-T417 WeakPolarHBondContact OG-CG2 3.46Å; S153-T417 PolarHBondContact OG-O 3.02Å; S153-F420 WeakPolarHBondContact OG-CB 3.34Å
154	L	93.9	Very high	93.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.6	-45.2	179.7	176.4	60.6	0	0	0	111.8	V79 L150 V152 A156 R157 S158 A426 L429 A430 L433	V79-L154 HydrophobicContact CG2-CD1 4.36Å; L150-L154 VanDerWaalsContact O-CB 3.27Å; L150-L154 WeakPolarHBondContact O-CB 3.3Å; L150-L154 PolarHBondContact O-N 3.06Å; V152-L154 PolarHBondContact O-N 3.37Å; L154-A156 VanDerWaalsContact C-N 3.34Å; L154-R157 WeakPolarHBondContact O-CB 3.43Å; L154-R157 PolarHBondContact O-N 3.17Å; L154-S158 WeakPolarHBondContact O-CB 3.21Å; L154-S158 PolarHBondContact O-N 3.37Å; L154-S158 PolarHBondContact O-OG 2.88Å; L154-A426 HydrophobicContact CD1-CB 4.11Å; L154-A426 WeakPolarHBondContact CD1-O 3.37Å; L154-L429 HydrophobicContact CB-CB 4.39Å; L154-L429 HydrophobicContact CD1-CB 4.26Å; L154-A430 HydrophobicContact CD1-CB 4.26Å; L154-A430 HydrophobicContact CD2-CB 4.17Å; L154-L433 HydrophobicContact CD2-CD2 4.01Å
155	V	93.2	Very high	93.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-66.4	-39.5	178.4	175	0	0	0	0	110.5	D74 S151 V152 S158 W159 L368 S371 L372	D74-V155 HydrophobicContact CB-CG2 4.14Å; S151-V155 VanDerWaalsContact O-CG2 3.23Å; S151-V155 WeakPolarHBondContact O-CG2 3.34Å; S151-V155 PolarHBondContact O-N 2.99Å; S151-V155 VanDerWaalsContact O-N 3.09Å; V152-V155 PolarHBondContact O-N 2.94Å; V155-S158 PolarHBondContact O-N 3.34Å; V155-W159 WeakPolarHBondContact O-CB 3.45Å; V155-W159 PolarHBondContact O-N 3.37Å; V155-L368 HydrophobicContact CG1-CB 4.28Å; V155-L368 HydrophobicContact CG1-CD2 4.1Å; V155-S371 VanDerWaalsContact CG1-OG 3.24Å; V155-S371 WeakPolarHBondContact CG1-OG 3.19Å; V155-L372 HydrophobicContact CB-CD2 3.63Å; V155-L372 HydrophobicContact CB-CG 4.25Å; V155-L372 HydrophobicContact CG1-CD1 4.41Å; V155-L372 HydrophobicContact CG1-CD2 3.47Å; V155-L372 VanDerWaalsContact CG1-CD2 3.47Å; V155-L372 HydrophobicContact CG1-CG 3.51Å
156	A	95.1	Very high	93.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.5	-40.2	178.2	0	0	0	0	0	111.8	V152 S153 L154 W159 S160 I201 L372	V152-A156 WeakPolarHBondContact O-CB 3.22Å; V152-A156 PolarHBondContact O-N 3.47Å; S153-A156 PolarHBondContact O-N 3.19Å; L154-A156 VanDerWaalsContact C-N 3.34Å; A156-W159 PolarHBondContact O-N 3.09Å; A156-S160 WeakPolarHBondContact O-CB 3.37Å; A156-S160 PolarHBondContact O-N 3.34Å; A156-I201 HydrophobicContact CB-CD1 3.55Å; A156-I201 HydrophobicContact CB-CG1 3.55Å; A156-L372 HydrophobicContact CB-CD2 4.03Å
157	R	93.4	Very high	93.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.8	-48.5	170.5	-85.5	-66.8	-156.9	161.6	-14.2	112.5	S153 L154 W159 S160 N161 S190 D194 S421 T422 F424 A426 L429	S153-R157 WeakPolarHBondContact O-CB 3.46Å; S153-R157 WeakPolarHBondContact O-CG 3.2Å; S153-R157 PolarHBondContact O-N 3.09Å; L154-R157 WeakPolarHBondContact O-CB 3.43Å; L154-R157 PolarHBondContact O-N 3.17Å; R157-W159 VanDerWaalsContact C-N 3.26Å; R157-W159 PolarHBondContact O-N 3.32Å; R157-S160 PolarHBondContact O-N 3.35Å; R157-N161 WeakPolarHBondContact O-CB 3.19Å; R157-N161 VanDerWaalsContact O-CG 3.25Å; R157-N161 PolarHBondContact O-N 3.19Å; R157-N161 PolarHBondContact O-OD1 3.35Å; R157-S190 PolarHBondContact NH1-OG 2.9Å; R157-S190 PolarHBondContact NH2-OG 3.27Å; R157-S190 VanDerWaalsContact NH2-OG 3.12Å; R157-D194 VanDerWaalsContact CD-OD2 3.31Å; R157-D194 WeakPolarHBondContact CD-OD2 3.37Å; R157-D194 IonicContact NE-OD2 3.11Å; R157-S421 PolarHBondContact NE-O 3.34Å; R157-S421 PolarHBondContact NH2-O 3.4Å; R157-T422 PolarHBondContact NH2-O 2.84Å; R157-F424 PolarHBondContact NE-O 3.26Å; R157-F424 PolarHBondContact NH2-O 2.97Å; R157-A426 HydrophobicContact CB-CB 4.09Å; R157-L429 HydrophobicContact CB-CD1 4.5Å; R157-L429 HydrophobicContact CG-CD1 3.78Å
158	S	92.8	Very high	93.3	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.028	8%	0.083	C	C	.	.	H	α-helix	trans	-59.8	-41.1	178.9	-54.4	0	0	0	0	110.9	G75 L154 V155 I162	G75-S158 WeakPolarHBondContact CA-OG 3.49Å; G75-S158 PolarHBondContact O-OG 3.36Å; L154-S158 WeakPolarHBondContact O-CB 3.21Å; L154-S158 PolarHBondContact O-N 3.37Å; L154-S158 PolarHBondContact O-OG 2.88Å; V155-S158 PolarHBondContact O-N 3.34Å; S158-I162 WeakPolarHBondContact O-CD1 3.45Å; S158-I162 VanDerWaalsContact O-CG1 3.28Å; S158-I162 WeakPolarHBondContact O-CG1 3.32Å; S158-I162 PolarHBondContact O-N 2.88Å
159	W	93.8	Very high	93.2	Very high	34 Å²	34	16.3 Å²	16.3	13%	0.129	9%	0.093	C	C	.	.	H	α-helix	trans	-63.3	-47.1	175.3	-174	93.6	0	0	0	112	V155 A156 R157 N161 I162 I163 L196 V200 V365 L368	V155-W159 WeakPolarHBondContact O-CB 3.45Å; V155-W159 PolarHBondContact O-N 3.37Å; A156-W159 PolarHBondContact O-N 3.09Å; R157-W159 VanDerWaalsContact C-N 3.26Å; R157-W159 PolarHBondContact O-N 3.32Å; W159-N161 PolarHBondContact O-N 3.05Å; W159-I162 PolarHBondContact O-N 3.48Å; W159-I163 HydrophobicContact CD2-CG1 4.16Å; W159-I163 HydrophobicContact CE3-CG1 3.95Å; W159-I163 HydrophobicContact CH2-CD1 4.22Å; W159-I163 HydrophobicContact CH2-CG1 3.74Å; W159-I163 HydrophobicContact CZ2-CD1 4.08Å; W159-I163 HydrophobicContact CZ2-CG1 3.94Å; W159-I163 HydrophobicContact CZ3-CG1 3.74Å; W159-I163 WeakPolarHBondContact O-CG1 3.46Å; W159-I163 PolarHBondContact O-N 3.36Å; W159-I163 VanDerWaalsContact O-N 3.16Å; W159-L196 HydrophobicContact CE3-CG 4.5Å; W159-L196 HydrophobicContact CZ3-CD1 3.89Å; W159-L196 HydrophobicContact CZ3-CD2 4.06Å; W159-L196 HydrophobicContact CZ3-CG 3.83Å; W159-V200 HydrophobicContact CD2-CG2 4.38Å; W159-V200 HydrophobicContact CE3-CG2 3.69Å; W159-V200 HydrophobicContact CH2-CG2 3.73Å; W159-V200 HydrophobicContact CZ2-CG2 4.41Å; W159-V200 HydrophobicContact CZ3-CG2 3.33Å; W159-V365 HydrophobicContact CZ2-CG1 4.41Å; W159-V365 PolarHBondContact NE1-O 3Å; W159-L368 HydrophobicContact CB-CB 4.45Å
160	S	94.6	Very high	92.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-46.1	178	-174.2	0	0	0	0	112.2	A156 R157 I162 I163 D164 D194 L196	A156-S160 WeakPolarHBondContact O-CB 3.37Å; A156-S160 PolarHBondContact O-N 3.34Å; R157-S160 PolarHBondContact O-N 3.35Å; S160-I162 VanDerWaalsContact C-N 3.29Å; S160-I162 PolarHBondContact O-N 3.03Å; S160-I163 WeakPolarHBondContact O-CB 3.43Å; S160-I163 PolarHBondContact O-N 2.72Å; S160-I163 VanDerWaalsContact O-N 3.09Å; S160-D164 PolarHBondContact O-N 3.37Å; S160-D194 WeakPolarHBondContact CB-OD2 3.3Å; S160-D194 PolarHBondContact OG-OD1 3.09Å; S160-D194 PolarHBondContact OG-OD2 2.73Å; S160-L196 WeakPolarHBondContact OG-CB 3.38Å; S160-L196 WeakPolarHBondContact OG-CD2 3.45Å
161	N	92.9	Very high	92.7	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-35.6	179.7	-70	-0.4	0	0	0	112.6	R157 W159 D164 T165 E333	R157-N161 WeakPolarHBondContact O-CB 3.19Å; R157-N161 VanDerWaalsContact O-CG 3.25Å; R157-N161 PolarHBondContact O-N 3.19Å; R157-N161 PolarHBondContact O-OD1 3.35Å; W159-N161 PolarHBondContact O-N 3.05Å; N161-D164 PolarHBondContact O-N 3.2Å; N161-T165 WeakPolarHBondContact O-CB 3.29Å; N161-T165 PolarHBondContact O-N 3.29Å; N161-T165 PolarHBondContact O-OG1 3.32Å; N161-E333 PolarHBondContact ND2-OE2 3.49Å
162	I	93.2	Very high	92.5	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-66.8	-43.3	174.5	-67.5	159.6	0	0	0	110.7	S158 W159 S160 D164 T165 F166 L337 F364 V365 L368	S158-I162 WeakPolarHBondContact O-CD1 3.45Å; S158-I162 VanDerWaalsContact O-CG1 3.28Å; S158-I162 WeakPolarHBondContact O-CG1 3.32Å; S158-I162 PolarHBondContact O-N 2.88Å; W159-I162 PolarHBondContact O-N 3.48Å; S160-I162 VanDerWaalsContact C-N 3.29Å; S160-I162 PolarHBondContact O-N 3.03Å; I162-D164 VanDerWaalsContact C-N 3.35Å; I162-T165 WeakPolarHBondContact O-CB 3.12Å; I162-T165 PolarHBondContact O-N 3.03Å; I162-F166 HydrophobicContact CG2-CD2 3.89Å; I162-F166 HydrophobicContact CG2-CE2 3.76Å; I162-F166 VanDerWaalsContact O-CD2 3.29Å; I162-F166 WeakPolarHBondContact O-CD2 3.45Å; I162-F166 PolarHBondContact O-N 3.46Å; I162-L337 HydrophobicContact CB-CD1 4.29Å; I162-L337 HydrophobicContact CG1-CD1 3.98Å; I162-L337 HydrophobicContact CG2-CD1 3.63Å; I162-F364 HydrophobicContact CD1-CB 3.76Å; I162-F364 HydrophobicContact CD1-CD2 4.44Å; I162-V365 HydrophobicContact CB-CG2 4.37Å; I162-V365 HydrophobicContact CG2-CG2 3.48Å; I162-V365 VanDerWaalsContact CG2-CG2 3.48Å; I162-L368 HydrophobicContact CD1-CD1 3.36Å
163	I	94.1	Very high	92.4	Very high	42 Å²	42	30.9 Å²	30.9	22%	0.215	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-42.4	176	-62.9	-62.7	0	0	0	111	W159 S160 T165 F166 T167 L196 V365	W159-I163 HydrophobicContact CD2-CG1 4.16Å; W159-I163 HydrophobicContact CE3-CG1 3.95Å; W159-I163 HydrophobicContact CH2-CD1 4.22Å; W159-I163 HydrophobicContact CH2-CG1 3.74Å; W159-I163 HydrophobicContact CZ2-CD1 4.08Å; W159-I163 HydrophobicContact CZ2-CG1 3.94Å; W159-I163 HydrophobicContact CZ3-CG1 3.74Å; W159-I163 WeakPolarHBondContact O-CG1 3.46Å; W159-I163 PolarHBondContact O-N 3.36Å; W159-I163 VanDerWaalsContact O-N 3.16Å; S160-I163 WeakPolarHBondContact O-CB 3.43Å; S160-I163 PolarHBondContact O-N 2.72Å; S160-I163 VanDerWaalsContact O-N 3.09Å; I163-T165 VanDerWaalsContact C-N 3.29Å; I163-T165 PolarHBondContact O-N 3.38Å; I163-F166 WeakPolarHBondContact O-CB 3.47Å; I163-F166 PolarHBondContact O-N 3.19Å; I163-F166 VanDerWaalsContact O-N 3.17Å; I163-T167 WeakPolarHBondContact O-CG2 3.34Å; I163-T167 PolarHBondContact O-N 3.24Å; I163-L196 HydrophobicContact CB-CD2 3.88Å; I163-L196 HydrophobicContact CG2-CD2 3.72Å; I163-V365 HydrophobicContact CD1-CG1 4.18Å; I163-V365 HydrophobicContact CD1-CG2 3.85Å
164	D	93.6	Very high	92.2	Very high	9 Å²	9	38.2 Å²	38.2	5%	0.048	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-38.4	175.5	-169.5	41.7	0	0	0	111.6	S160 N161 I162 F166 T167 G168 N169 R170 T171 S172	S160-D164 PolarHBondContact O-N 3.37Å; N161-D164 PolarHBondContact O-N 3.2Å; I162-D164 VanDerWaalsContact C-N 3.35Å; D164-F166 VanDerWaalsContact C-N 3.31Å; D164-F166 PolarHBondContact O-N 2.89Å; D164-T167 PolarHBondContact O-N 3.15Å; D164-T167 VanDerWaalsContact O-N 3.13Å; D164-T167 PolarHBondContact O-OG1 2.96Å; D164-T167 PolarHBondContact OD1-OG1 2.84Å; D164-G168 PolarHBondContact O-N 3.24Å; D164-G168 VanDerWaalsContact O-N 3.09Å; D164-N169 WeakPolarHBondContact O-CA 3.42Å; D164-N169 PolarHBondContact O-N 3.12Å; D164-N169 VanDerWaalsContact OD1-C 3.28Å; D164-N169 VanDerWaalsContact OD1-CA 3.29Å; D164-N169 WeakPolarHBondContact OD1-CA 3.48Å; D164-R170 PolarHBondContact OD1-N 3.07Å; D164-T171 VanDerWaalsContact OD1-CA 3.29Å; D164-T171 WeakPolarHBondContact OD1-CA 3.37Å; D164-T171 WeakPolarHBondContact OD1-CB 3.48Å; D164-T171 PolarHBondContact OD1-N 3.45Å; D164-S172 PolarHBondContact OD1-N 2.87Å; D164-S172 PolarHBondContact OD1-OG 3.4Å; D164-S172 WeakPolarHBondContact OD2-CB 3.11Å; D164-S172 PolarHBondContact OD2-OG 2.87Å
165	T	92.8	Very high	92.1	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-39.1	174.9	-57.6	0	0	0	0	111.8	N161 I162 I163 G168 N334 L337 N338 F357	N161-T165 WeakPolarHBondContact O-CB 3.29Å; N161-T165 PolarHBondContact O-N 3.29Å; N161-T165 PolarHBondContact O-OG1 3.32Å; I162-T165 WeakPolarHBondContact O-CB 3.12Å; I162-T165 PolarHBondContact O-N 3.03Å; I163-T165 VanDerWaalsContact C-N 3.29Å; I163-T165 PolarHBondContact O-N 3.38Å; T165-G168 PolarHBondContact O-N 2.96Å; T165-N334 VanDerWaalsContact CB-ND2 3.32Å; T165-N334 WeakPolarHBondContact CB-ND2 3.17Å; T165-N334 PolarHBondContact OG1-ND2 3.42Å; T165-L337 HydrophobicContact CG2-CB 4.26Å; T165-N338 WeakPolarHBondContact CG2-OD1 3.27Å; T165-F357 HydrophobicContact CG2-CE2 3.79Å; T165-F357 HydrophobicContact CG2-CZ 4.09Å
166	F	93.5	Very high	92	Very high	72 Å²	72	40.2 Å²	40.2	32%	0.316	20%	0.202	S	C	.	.	H	α-helix	trans	-62.7	-39.1	172.9	-87.9	-63.1	0	0	0	112.9	I162 I163 D164 G168 F357 G361 V365	I162-F166 HydrophobicContact CG2-CD2 3.89Å; I162-F166 HydrophobicContact CG2-CE2 3.76Å; I162-F166 VanDerWaalsContact O-CD2 3.29Å; I162-F166 WeakPolarHBondContact O-CD2 3.45Å; I162-F166 PolarHBondContact O-N 3.46Å; I163-F166 WeakPolarHBondContact O-CB 3.47Å; I163-F166 PolarHBondContact O-N 3.19Å; I163-F166 VanDerWaalsContact O-N 3.17Å; D164-F166 VanDerWaalsContact C-N 3.31Å; D164-F166 PolarHBondContact O-N 2.89Å; F166-G168 PolarHBondContact O-N 3.43Å; F166-F357 AromaticContact CD1-CE1 3.69Å; F166-F357 HydrophobicContact CD1-CE1 3.69Å; F166-F357 AromaticContact CD1-CZ 3.99Å; F166-F357 HydrophobicContact CD1-CZ 3.99Å; F166-F357 HydrophobicContact CE1-CD1 4.38Å; F166-F357 AromaticContact CE1-CE1 3.85Å; F166-F357 HydrophobicContact CE1-CE1 3.85Å; F166-F357 HydrophobicContact CE1-CZ 4.3Å; F166-G361 VanDerWaalsContact CZ-C 3.42Å; F166-G361 VanDerWaalsContact CZ-CA 3.48Å; F166-V365 HydrophobicContact CD2-CG2 4.39Å; F166-V365 HydrophobicContact CE2-CG2 3.91Å
167	T	91.7	Very high	91.9	Very high	48 Å²	48	45.2 Å²	45.2	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-76.8	-5.6	177.1	67.8	0	0	0	0	112.9	I163 D164 R170 T171	I163-T167 WeakPolarHBondContact O-CG2 3.34Å; I163-T167 PolarHBondContact O-N 3.24Å; D164-T167 PolarHBondContact O-N 3.15Å; D164-T167 VanDerWaalsContact O-N 3.13Å; D164-T167 PolarHBondContact O-OG1 2.96Å; D164-T167 PolarHBondContact OD1-OG1 2.84Å; T167-R170 VanDerWaalsContact O-CD 3.23Å; T167-R170 WeakPolarHBondContact O-CD 3.37Å; T167-R170 WeakPolarHBondContact O-CG 3.48Å; T167-R170 PolarHBondContact OG1-N 3.06Å; T167-T171 PolarHBondContact OG1-OG1 3.14Å
168	G	88	Confident	91.8	Very high	39 Å²	39	49.1 Å²	49.1	40%	0.402	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	35.9	-177.8	0	0	0	0	0	113	D164 T165 F166 R170	D164-G168 PolarHBondContact O-N 3.24Å; D164-G168 VanDerWaalsContact O-N 3.09Å; T165-G168 PolarHBondContact O-N 2.96Å; F166-G168 PolarHBondContact O-N 3.43Å; G168-R170 PolarHBondContact O-N 2.87Å
169	N	89.3	Confident	91.7	Very high	73 Å²	73	53.4 Å²	53.4	39%	0.39	28%	0.278	S	S	.	.	S	Bend	trans	62	27.5	-175.2	-53	-8.7	0	0	0	112.7	D164 S172 S173	D164-N169 WeakPolarHBondContact O-CA 3.42Å; D164-N169 PolarHBondContact O-N 3.12Å; D164-N169 VanDerWaalsContact OD1-C 3.28Å; D164-N169 VanDerWaalsContact OD1-CA 3.29Å; D164-N169 WeakPolarHBondContact OD1-CA 3.48Å; N169-S172 PolarHBondContact O-OG 2.72Å; N169-S172 VanDerWaalsContact O-OG 3.12Å; N169-S173 VanDerWaalsContact O-CB 3.24Å; N169-S173 WeakPolarHBondContact O-CB 3.15Å; N169-S173 PolarHBondContact O-N 2.58Å
170	R	89.5	Confident	91.4	Very high	191 Å²	191	53.1 Å²	53.1	72%	0.721	29%	0.286	S	S	*	.	H	α-helix	trans	-79.8	-30.3	-179.3	-74.6	-178.4	-176.1	152.8	-0.3	111.8	D164 T167 G168 W174	D164-R170 PolarHBondContact OD1-N 3.07Å; T167-R170 VanDerWaalsContact O-CD 3.23Å; T167-R170 WeakPolarHBondContact O-CD 3.37Å; T167-R170 WeakPolarHBondContact O-CG 3.48Å; T167-R170 PolarHBondContact OG1-N 3.06Å; G168-R170 PolarHBondContact O-N 2.87Å; R170-W174 WeakPolarHBondContact O-CB 3.5Å; R170-W174 PolarHBondContact O-N 3.5Å
171	T	89.2	Confident	91.1	Very high	40 Å²	40	60.6 Å²	60.6	25%	0.245	31%	0.314	C	S	.	.	H	α-helix	trans	-69.9	-48	-179.9	-53.4	0	0	0	0	109.5	D164 T167 W174 I175	D164-T171 VanDerWaalsContact OD1-CA 3.29Å; D164-T171 WeakPolarHBondContact OD1-CA 3.37Å; D164-T171 WeakPolarHBondContact OD1-CB 3.48Å; D164-T171 PolarHBondContact OD1-N 3.45Å; T167-T171 PolarHBondContact OG1-OG1 3.14Å; T171-W174 PolarHBondContact O-N 2.88Å; T171-I175 HydrophobicContact CG2-CD1 4.23Å; T171-I175 VanDerWaalsContact O-CG1 3.26Å; T171-I175 WeakPolarHBondContact O-CG1 3.26Å; T171-I175 PolarHBondContact O-N 3.1Å; T171-I175 VanDerWaalsContact O-N 3.07Å
172	S	89.2	Confident	90.9	Very high	15 Å²	15	64.1 Å²	64.1	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-48.4	173	51.9	0	0	0	0	111.9	D164 N169 W174 I175 I176	D164-S172 PolarHBondContact OD1-N 2.87Å; D164-S172 PolarHBondContact OD1-OG 3.4Å; D164-S172 WeakPolarHBondContact OD2-CB 3.11Å; D164-S172 PolarHBondContact OD2-OG 2.87Å; N169-S172 PolarHBondContact O-OG 2.72Å; N169-S172 VanDerWaalsContact O-OG 3.12Å; S172-W174 VanDerWaalsContact C-N 3.33Å; S172-W174 PolarHBondContact O-N 2.89Å; S172-I175 PolarHBondContact O-N 3.29Å; S172-I176 VanDerWaalsContact O-CG1 3.27Å; S172-I176 WeakPolarHBondContact O-CG1 3.3Å; S172-I176 PolarHBondContact O-N 3.07Å
173	S	90.5	Very high	90.6	Very high	64 Å²	64	65.8 Å²	65.8	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-58.8	-42.4	177.8	-174.2	0	0	0	0	112.3	N169 I176 T177	N169-S173 VanDerWaalsContact O-CB 3.24Å; N169-S173 WeakPolarHBondContact O-CB 3.15Å; N169-S173 PolarHBondContact O-N 2.58Å; S173-I176 PolarHBondContact O-N 2.96Å; S173-T177 WeakPolarHBondContact O-CG2 3.35Å; S173-T177 PolarHBondContact O-N 2.92Å; S173-T177 PolarHBondContact O-OG1 3.12Å; S173-T177 VanDerWaalsContact O-OG1 3.12Å
174	W	92.9	Very high	90.2	Very high	155 Å²	155	67.6 Å²	67.6	59%	0.587	36%	0.361	S	S	*	.	H	α-helix	trans	-65.5	-40.8	179	176.7	82.4	0	0	0	112.3	R170 T171 S172 T177 T178	R170-W174 WeakPolarHBondContact O-CB 3.5Å; R170-W174 PolarHBondContact O-N 3.5Å; T171-W174 PolarHBondContact O-N 2.88Å; S172-W174 VanDerWaalsContact C-N 3.33Å; S172-W174 PolarHBondContact O-N 2.89Å; W174-T177 WeakPolarHBondContact CA-OG1 3.32Å; W174-T177 PolarHBondContact O-N 2.91Å; W174-T177 PolarHBondContact O-OG1 3.45Å; W174-T178 HydrophobicContact CZ2-CG2 4.25Å; W174-T178 PolarHBondContact NE1-OG1 3.47Å; W174-T178 VanDerWaalsContact O-CB 3.23Å; W174-T178 WeakPolarHBondContact O-CB 3.43Å; W174-T178 PolarHBondContact O-N 3.46Å; W174-T178 PolarHBondContact O-OG1 3.2Å
175	I	91.7	Very high	89.3	Confident	5 Å²	5	70.1 Å²	70.1	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-63.8	-45.9	176.1	-65.5	166.3	0	0	0	109.7	T171 S172 T177 T178 I179 G180 Y192 P193 F195	T171-I175 HydrophobicContact CG2-CD1 4.23Å; T171-I175 VanDerWaalsContact O-CG1 3.26Å; T171-I175 WeakPolarHBondContact O-CG1 3.26Å; T171-I175 PolarHBondContact O-N 3.1Å; T171-I175 VanDerWaalsContact O-N 3.07Å; S172-I175 PolarHBondContact O-N 3.29Å; I175-T177 VanDerWaalsContact C-N 3.34Å; I175-T177 PolarHBondContact O-N 3.49Å; I175-T178 PolarHBondContact O-N 3Å; I175-I179 HydrophobicContact CG2-CB 4.48Å; I175-I179 HydrophobicContact CG2-CD1 4.36Å; I175-I179 WeakPolarHBondContact O-CB 3.39Å; I175-I179 PolarHBondContact O-N 3.13Å; I175-G180 PolarHBondContact O-N 3.46Å; I175-Y192 HydrophobicContact CB-CD2 4.42Å; I175-Y192 HydrophobicContact CD1-CD2 3.85Å; I175-Y192 HydrophobicContact CD1-CE2 4.2Å; I175-Y192 HydrophobicContact CG2-CD2 4.28Å; I175-Y192 HydrophobicContact CG2-CG 4.45Å; I175-P193 HydrophobicContact CG2-CG 4.13Å; I175-F195 HydrophobicContact CG2-CE2 4.41Å
176	I	91.1	Very high	88.3	Confident	37 Å²	37	78 Å²	78	19%	0.19	42%	0.42	C	S	.	.	H	α-helix	trans	-60.3	-43.6	179.2	-70	166.5	0	0	0	111.1	S172 S173 G180 R181 E191 Y192	S172-I176 VanDerWaalsContact O-CG1 3.27Å; S172-I176 WeakPolarHBondContact O-CG1 3.3Å; S172-I176 PolarHBondContact O-N 3.07Å; S173-I176 PolarHBondContact O-N 2.96Å; I176-G180 VanDerWaalsContact O-CA 3.24Å; I176-G180 WeakPolarHBondContact O-CA 3.21Å; I176-G180 PolarHBondContact O-N 2.72Å; I176-G180 VanDerWaalsContact O-N 3.16Å; I176-R181 HydrophobicContact CG1-CG 4.37Å; I176-R181 HydrophobicContact CG2-CG 3.72Å; I176-E191 HydrophobicContact CD1-CG 4.1Å; I176-Y192 HydrophobicContact CD1-CD1 4.24Å; I176-Y192 HydrophobicContact CG1-CD1 4.44Å
177	T	91.9	Very high	87.6	Confident	104 Å²	104	75.8 Å²	75.8	64%	0.638	42%	0.417	S	S	*	.	H	α-helix	trans	-72.2	-32.3	-179.9	54.6	0	0	0	0	113.2	S173 W174 I175	S173-T177 WeakPolarHBondContact O-CG2 3.35Å; S173-T177 PolarHBondContact O-N 2.92Å; S173-T177 PolarHBondContact O-OG1 3.12Å; S173-T177 VanDerWaalsContact O-OG1 3.12Å; W174-T177 WeakPolarHBondContact CA-OG1 3.32Å; W174-T177 PolarHBondContact O-N 2.91Å; W174-T177 PolarHBondContact O-OG1 3.45Å; I175-T177 VanDerWaalsContact C-N 3.34Å; I175-T177 PolarHBondContact O-N 3.49Å
178	T	92.4	Very high	87.1	Confident	83 Å²	83	76.2 Å²	76.2	51%	0.509	42%	0.417	S	S	.	.	H	α-helix	trans	-90.4	-43.4	-173.1	-51.6	0	0	0	0	112.6	W174 I175	W174-T178 HydrophobicContact CZ2-CG2 4.25Å; W174-T178 PolarHBondContact NE1-OG1 3.47Å; W174-T178 VanDerWaalsContact O-CB 3.23Å; W174-T178 WeakPolarHBondContact O-CB 3.43Å; W174-T178 PolarHBondContact O-N 3.46Å; W174-T178 PolarHBondContact O-OG1 3.2Å; I175-T178 PolarHBondContact O-N 3Å
179	I	89.3	Confident	87.1	Confident	93 Å²	93	77.1 Å²	77.1	48%	0.477	41%	0.412	S	S	.	.	H	α-helix	trans	-107.9	-24.4	-170.4	-62	172.4	0	0	0	111.3	I175 P193 F195	I175-I179 HydrophobicContact CG2-CB 4.48Å; I175-I179 HydrophobicContact CG2-CD1 4.36Å; I175-I179 WeakPolarHBondContact O-CB 3.39Å; I175-I179 PolarHBondContact O-N 3.13Å; I179-P193 HydrophobicContact CG2-CG 4.3Å; I179-F195 HydrophobicContact CD1-CD2 4.1Å; I179-F195 HydrophobicContact CD1-CE2 3.34Å; I179-F195 HydrophobicContact CD1-CZ 4.08Å
180	G	88.6	Confident	87	Confident	29 Å²	29	73.8 Å²	73.8	30%	0.299	40%	0.395	S	S	.	.			trans	98.9	167.2	-177.9	0	0	0	0	0	113.3	I175 I176	I175-G180 PolarHBondContact O-N 3.46Å; I176-G180 VanDerWaalsContact O-CA 3.24Å; I176-G180 WeakPolarHBondContact O-CA 3.21Å; I176-G180 PolarHBondContact O-N 2.72Å; I176-G180 VanDerWaalsContact O-N 3.16Å
181	R	88.6	Confident	86.9	Confident	157 Å²	157	67.1 Å²	67.1	59%	0.592	37%	0.372	S	S	*	.			trans	-79	131.4	176	-69	-176.1	159.3	152.2	-5.4	110.4	I176 E191	I176-R181 HydrophobicContact CG1-CG 4.37Å; I176-R181 HydrophobicContact CG2-CG 3.72Å; R181-E191 CarbonylContact C-O 3.56Å; R181-E191 WeakPolarHBondContact CA-O 3.28Å; R181-E191 HydrophobicContact CG-CG 4.3Å; R181-E191 IonicContact CZ-OE1 3.34Å; R181-E191 IonicContact NE-OE1 3.24Å; R181-E191 PolarHBondContact NE-OE1 3.21Å; R181-E191 IonicContact NH2-OE1 2.68Å; R181-E191 PolarHBondContact NH2-OE1 3.41Å
182	L	87.3	Confident	86.9	Confident	82 Å²	82	66.1 Å²	66.1	43%	0.429	36%	0.364	S	S	.	.	S	Bend	trans	-79.5	-35.3	175.1	177.5	65.1	0	0	0	111.6	S190 E191	L182-S190 WeakPolarHBondContact CB-O 3.3Å; L182-E191 PolarHBondContact N-O 3.04Å
183	S	88.6	Confident	87.1	Confident	37 Å²	37	66.2 Å²	66.2	26%	0.259	36%	0.364	S	S	.	.	S	Bend	trans	-152.2	172.6	-179.6	-154.2	0	0	0	0	112.2
184	S	84.1	Confident	87.2	Confident	81 Å²	81	63.2 Å²	63.2	57%	0.566	34%	0.343	S	S	*	.			trans	-59.6	147.4	172.7	177.9	0	0	0	0	110.7	G187	S184-G187 PolarHBondContact O-N 2.95Å; S184-G187 VanDerWaalsContact O-N 3.12Å
185	P	75.8	Confident	87.3	Confident	61 Å²	61	59.8 Å²	59.8	40%	0.396	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	142.7	166.6	-23.3	32.9	0	0	0	110.8	G187	P185-G187 PolarHBondContact O-N 3.44Å
186	N	71.7	Confident	87.4	Confident	173 Å²	173	61.3 Å²	61.3	93%	0.925	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	20.3	-177.5	-55.9	-24.8	0	0	0	115
187	G	78.8	Confident	87.6	Confident	25 Å²	25	59.6 Å²	59.6	26%	0.258	33%	0.331	S	S	.	.			trans	-73.2	173.2	172.8	0	0	0	0	0	113.7	S184 P185 L189	S184-G187 PolarHBondContact O-N 2.95Å; S184-G187 VanDerWaalsContact O-N 3.12Å; P185-G187 PolarHBondContact O-N 3.44Å; G187-L189 VanDerWaalsContact C-N 3.35Å; G187-L189 CarbonylContact C-O 3.51Å
188	L	81.4	Confident	87.8	Confident	56 Å²	56	56.1 Å²	56.1	29%	0.293	31%	0.31	S	S	.	.	S	Bend	trans	-65.2	-43.3	169.9	-176.3	75.8	0	0	0	111.4	F424 S428 F606	L188-F424 HydrophobicContact CD2-CE1 4.45Å; L188-S428 PolarHBondContact O-OG 3.45Å; L188-F606 HydrophobicContact CD1-CB 3.8Å; L188-F606 HydrophobicContact CD1-CG 4.36Å; L188-F606 HydrophobicContact CD2-CB 3.82Å; L188-F606 HydrophobicContact CD2-CD1 4.19Å; L188-F606 HydrophobicContact CD2-CG 4.08Å; L188-F606 HydrophobicContact CG-CB 4.46Å
189	L	87.4	Confident	87.9	Confident	58 Å²	58	56.6 Å²	56.6	30%	0.304	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-80.2	149.4	174.2	-59.8	176.8	0	0	0	108.6	G187 I423 F424	G187-L189 VanDerWaalsContact C-N 3.35Å; G187-L189 CarbonylContact C-O 3.51Å; L189-I423 HydrophobicContact CD2-CG2 3.48Å; L189-I423 VanDerWaalsContact CD2-CG2 3.48Å; L189-F424 HydrophobicContact CD2-CD1 4.15Å; L189-F424 HydrophobicContact CD2-CE1 3.88Å
190	S	87.3	Confident	88.2	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.021	29%	0.29	C	S	.	.			trans	-60.8	142.6	175.4	-170	0	0	0	0	111.2	R157 L182 Y192 I423	R157-S190 PolarHBondContact NH1-OG 2.9Å; R157-S190 PolarHBondContact NH2-OG 3.27Å; R157-S190 VanDerWaalsContact NH2-OG 3.12Å; L182-S190 WeakPolarHBondContact CB-O 3.3Å; S190-Y192 WeakPolarHBondContact CB-O 3.44Å; S190-Y192 PolarHBondContact O-N 2.86Å; S190-Y192 PolarHBondContact OG-O 3.49Å; S190-I423 WeakPolarHBondContact CB-O 3.12Å; S190-I423 PolarHBondContact N-O 3.42Å
191	E	86.5	Confident	88.5	Confident	51 Å²	51	51.4 Å²	51.4	24%	0.238	28%	0.276	C	S	.	.	S	Bend	trans	-58.4	-34.6	174.5	-178	176.2	173.8	0	0	110.7	I176 R181 L182	I176-E191 HydrophobicContact CD1-CG 4.1Å; R181-E191 CarbonylContact C-O 3.56Å; R181-E191 WeakPolarHBondContact CA-O 3.28Å; R181-E191 HydrophobicContact CG-CG 4.3Å; R181-E191 IonicContact CZ-OE1 3.34Å; R181-E191 IonicContact NE-OE1 3.24Å; R181-E191 PolarHBondContact NE-OE1 3.21Å; R181-E191 IonicContact NH2-OE1 2.68Å; R181-E191 PolarHBondContact NH2-OE1 3.41Å; L182-E191 PolarHBondContact N-O 3.04Å
192	Y	89.9	Confident	88.8	Confident	19 Å²	19	49.4 Å²	49.4	8%	0.075	27%	0.271	C	S	.	.	S	Bend	trans	-132.9	149.8	176.3	61.1	-87.9	0	0	0	111.7	I175 I176 S190 D194	I175-Y192 HydrophobicContact CB-CD2 4.42Å; I175-Y192 HydrophobicContact CD1-CD2 3.85Å; I175-Y192 HydrophobicContact CD1-CE2 4.2Å; I175-Y192 HydrophobicContact CG2-CD2 4.28Å; I175-Y192 HydrophobicContact CG2-CG 4.45Å; I176-Y192 HydrophobicContact CD1-CD1 4.24Å; I176-Y192 HydrophobicContact CG1-CD1 4.44Å; S190-Y192 WeakPolarHBondContact CB-O 3.44Å; S190-Y192 PolarHBondContact O-N 2.86Å; S190-Y192 PolarHBondContact OG-O 3.49Å; Y192-D194 HydrophobicContact CD2-CB 4.48Å; Y192-D194 HydrophobicContact CE2-CB 4.08Å; Y192-D194 PolarHBondContact O-N 3.34Å
193	P	93.4	Very high	89	Confident	17 Å²	17	49.3 Å²	49.3	11%	0.11	27%	0.27	C	S	.	.			trans	-67.7	118.5	170.9	27.7	-32.9	0	0	0	110.3	I175 I179 F195 T422	I175-P193 HydrophobicContact CG2-CG 4.13Å; I179-P193 HydrophobicContact CG2-CG 4.3Å; P193-F195 HydrophobicContact CB-CE1 4.42Å; P193-F195 HydrophobicContact CB-CE2 3.93Å; P193-F195 HydrophobicContact CB-CZ 3.84Å; P193-F195 HydrophobicContact CG-CD2 4.46Å; P193-F195 HydrophobicContact CG-CE2 3.57Å; P193-F195 HydrophobicContact CG-CZ 3.77Å; P193-F195 WeakPolarHBondContact O-CD2 3.33Å; P193-F195 PolarHBondContact O-N 2.87Å; P193-F195 VanDerWaalsContact O-N 3.07Å; P193-T422 WeakPolarHBondContact CA-O 3.2Å; P193-T422 HydrophobicContact CB-CG2 3.66Å
194	D	92.6	Very high	89	Confident	1 Å²	1	49 Å²	49	1%	0.005	27%	0.265	C	S	.	.			trans	-86	82.8	-175	-177	13.4	0	0	0	112.3	R157 S160 Y192 L196 S197 T422	R157-D194 VanDerWaalsContact CD-OD2 3.31Å; R157-D194 WeakPolarHBondContact CD-OD2 3.37Å; R157-D194 IonicContact NE-OD2 3.11Å; S160-D194 WeakPolarHBondContact CB-OD2 3.3Å; S160-D194 PolarHBondContact OG-OD1 3.09Å; S160-D194 PolarHBondContact OG-OD2 2.73Å; Y192-D194 HydrophobicContact CD2-CB 4.48Å; Y192-D194 HydrophobicContact CE2-CB 4.08Å; Y192-D194 PolarHBondContact O-N 3.34Å; D194-L196 PolarHBondContact O-N 3.44Å; D194-L196 PolarHBondContact OD1-N 2.74Å; D194-S197 PolarHBondContact O-N 3.09Å; D194-S197 PolarHBondContact O-OG 2.95Å; D194-S197 PolarHBondContact OD1-N 2.69Å; D194-S197 VanDerWaalsContact OD2-CB 3.24Å; D194-S197 WeakPolarHBondContact OD2-CB 3.46Å; D194-S197 PolarHBondContact OD2-OG 3.25Å; D194-T422 PolarHBondContact N-O 2.86Å
195	F	94.1	Very high	89.3	Confident	84 Å²	84	45.1 Å²	45.1	37%	0.368	24%	0.238	S	C	.	.	H	α-helix	trans	-64.6	-26.3	177.9	-61.8	-66.9	0	0	0	113.5	I175 I179 P193 T198 I199	I175-F195 HydrophobicContact CG2-CE2 4.41Å; I179-F195 HydrophobicContact CD1-CD2 4.1Å; I179-F195 HydrophobicContact CD1-CE2 3.34Å; I179-F195 HydrophobicContact CD1-CZ 4.08Å; P193-F195 HydrophobicContact CB-CE1 4.42Å; P193-F195 HydrophobicContact CB-CE2 3.93Å; P193-F195 HydrophobicContact CB-CZ 3.84Å; P193-F195 HydrophobicContact CG-CD2 4.46Å; P193-F195 HydrophobicContact CG-CE2 3.57Å; P193-F195 HydrophobicContact CG-CZ 3.77Å; P193-F195 WeakPolarHBondContact O-CD2 3.33Å; P193-F195 PolarHBondContact O-N 2.87Å; P193-F195 VanDerWaalsContact O-N 3.07Å; F195-T198 WeakPolarHBondContact O-CB 3.42Å; F195-T198 PolarHBondContact O-N 3.45Å; F195-I199 VanDerWaalsContact O-CG1 3.32Å; F195-I199 WeakPolarHBondContact O-CG1 3.4Å; F195-I199 PolarHBondContact O-N 3.41Å
196	L	94.5	Very high	89.9	Confident	37 Å²	37	45.3 Å²	45.3	19%	0.194	24%	0.236	C	C	.	.	H	α-helix	trans	-67.8	-42	-179	178.5	63	0	0	0	110.7	W159 S160 I163 D194 T198 I199 V200	W159-L196 HydrophobicContact CE3-CG 4.5Å; W159-L196 HydrophobicContact CZ3-CD1 3.89Å; W159-L196 HydrophobicContact CZ3-CD2 4.06Å; W159-L196 HydrophobicContact CZ3-CG 3.83Å; S160-L196 WeakPolarHBondContact OG-CB 3.38Å; S160-L196 WeakPolarHBondContact OG-CD2 3.45Å; I163-L196 HydrophobicContact CB-CD2 3.88Å; I163-L196 HydrophobicContact CG2-CD2 3.72Å; D194-L196 PolarHBondContact O-N 3.44Å; D194-L196 PolarHBondContact OD1-N 2.74Å; L196-T198 VanDerWaalsContact C-N 3.29Å; L196-T198 PolarHBondContact O-N 2.89Å; L196-I199 PolarHBondContact O-N 3.47Å; L196-V200 PolarHBondContact O-N 2.97Å
197	S	94.8	Very high	90.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.7	-43.3	171.5	71.2	0	0	0	0	112.1	D194 V200 I201 S421	D194-S197 PolarHBondContact O-N 3.09Å; D194-S197 PolarHBondContact O-OG 2.95Å; D194-S197 PolarHBondContact OD1-N 2.69Å; D194-S197 VanDerWaalsContact OD2-CB 3.24Å; D194-S197 WeakPolarHBondContact OD2-CB 3.46Å; D194-S197 PolarHBondContact OD2-OG 3.25Å; S197-V200 PolarHBondContact O-N 3.11Å; S197-I201 WeakPolarHBondContact O-CD1 3.36Å; S197-I201 VanDerWaalsContact O-CG1 3.28Å; S197-I201 WeakPolarHBondContact O-CG1 3.36Å; S197-I201 PolarHBondContact O-N 2.85Å; S197-S421 VanDerWaalsContact OG-CB 3.29Å; S197-S421 WeakPolarHBondContact OG-CB 3.46Å; S197-S421 PolarHBondContact OG-OG 2.97Å
198	T	96	Very high	90.8	Very high	32 Å²	32	40.9 Å²	40.9	20%	0.196	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-42.1	-179.4	-67	0	0	0	0	112.3	F195 L196 V200 I201 F202 C418 T422	F195-T198 WeakPolarHBondContact O-CB 3.42Å; F195-T198 PolarHBondContact O-N 3.45Å; L196-T198 VanDerWaalsContact C-N 3.29Å; L196-T198 PolarHBondContact O-N 2.89Å; T198-V200 PolarHBondContact O-N 2.99Å; T198-I201 PolarHBondContact O-N 2.94Å; T198-F202 VanDerWaalsContact O-CB 3.29Å; T198-F202 WeakPolarHBondContact O-CB 3.36Å; T198-F202 PolarHBondContact O-N 3.26Å; T198-C418 HydrophobicContact CG2-CB 3.95Å; T198-T422 PolarHBondContact OG1-OG1 2.98Å
199	I	95.6	Very high	90.9	Very high	93 Å²	93	39 Å²	39	48%	0.477	19%	0.193	S	C	.	.	H	α-helix	trans	-60.4	-46.9	175.9	-70.1	164.6	0	0	0	110.4	F195 L196 F202 I203	F195-I199 VanDerWaalsContact O-CG1 3.32Å; F195-I199 WeakPolarHBondContact O-CG1 3.4Å; F195-I199 PolarHBondContact O-N 3.41Å; L196-I199 PolarHBondContact O-N 3.47Å; I199-F202 PolarHBondContact O-N 2.87Å; I199-I203 HydrophobicContact CG2-CD1 3.72Å; I199-I203 HydrophobicContact CG2-CG1 4.42Å; I199-I203 WeakPolarHBondContact O-CB 3.25Å; I199-I203 VanDerWaalsContact O-CG1 3.29Å; I199-I203 WeakPolarHBondContact O-CG1 3.47Å; I199-I203 PolarHBondContact O-N 2.87Å
200	V	94.5	Very high	90.6	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-42.6	-179.9	174.6	0	0	0	0	111.8	W159 L196 S197 T198 F202 I203 L204 L369 L372	W159-V200 HydrophobicContact CD2-CG2 4.38Å; W159-V200 HydrophobicContact CE3-CG2 3.69Å; W159-V200 HydrophobicContact CH2-CG2 3.73Å; W159-V200 HydrophobicContact CZ2-CG2 4.41Å; W159-V200 HydrophobicContact CZ3-CG2 3.33Å; L196-V200 PolarHBondContact O-N 2.97Å; S197-V200 PolarHBondContact O-N 3.11Å; T198-V200 PolarHBondContact O-N 2.99Å; V200-F202 VanDerWaalsContact C-N 3.33Å; V200-F202 PolarHBondContact O-N 3.31Å; V200-I203 PolarHBondContact O-N 3.33Å; V200-L204 HydrophobicContact CG1-CD1 3.84Å; V200-L204 HydrophobicContact CG1-CG 4.4Å; V200-L204 WeakPolarHBondContact O-CB 3.43Å; V200-L204 WeakPolarHBondContact O-CG 3.34Å; V200-L204 PolarHBondContact O-N 3.34Å; V200-L369 HydrophobicContact CG1-CD1 4.16Å; V200-L372 HydrophobicContact CG1-CD1 3.79Å
201	I	95.6	Very high	89.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-43.5	175.6	-67.3	157.2	0	0	0	110.7	V152 A156 S197 T198 L204 G205 M376 T417 C418 S421	V152-I201 HydrophobicContact CG1-CG1 4.39Å; A156-I201 HydrophobicContact CB-CD1 3.55Å; A156-I201 HydrophobicContact CB-CG1 3.55Å; S197-I201 WeakPolarHBondContact O-CD1 3.36Å; S197-I201 VanDerWaalsContact O-CG1 3.28Å; S197-I201 WeakPolarHBondContact O-CG1 3.36Å; S197-I201 PolarHBondContact O-N 2.85Å; T198-I201 PolarHBondContact O-N 2.94Å; I201-L204 PolarHBondContact O-N 3.48Å; I201-G205 WeakPolarHBondContact O-CA 3.28Å; I201-G205 PolarHBondContact O-N 2.93Å; I201-M376 HydrophobicContact CG2-CE 4.31Å; I201-T417 HydrophobicContact CD1-CG2 3.71Å; I201-T417 HydrophobicContact CG1-CG2 4.07Å; I201-T417 HydrophobicContact CG2-CG2 3.84Å; I201-C418 WeakPolarHBondContact CG2-SG 3.37Å; I201-S421 WeakPolarHBondContact CD1-OG 3.3Å
202	F	94	Very high	88.7	Confident	114 Å²	114	45.7 Å²	45.7	50%	0.5	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-46.5	-179.8	-170.5	-105.6	0	0	0	111.7	T198 I199 V200 G205 I206 I414	T198-F202 VanDerWaalsContact O-CB 3.29Å; T198-F202 WeakPolarHBondContact O-CB 3.36Å; T198-F202 PolarHBondContact O-N 3.26Å; I199-F202 PolarHBondContact O-N 2.87Å; V200-F202 VanDerWaalsContact C-N 3.33Å; V200-F202 PolarHBondContact O-N 3.31Å; F202-G205 PolarHBondContact O-N 2.75Å; F202-I206 HydrophobicContact CD1-CD1 3.7Å; F202-I206 HydrophobicContact CE1-CD1 3.36Å; F202-I206 HydrophobicContact CE1-CG1 4.42Å; F202-I206 HydrophobicContact CG-CD1 4.45Å; F202-I206 HydrophobicContact CZ-CD1 3.86Å; F202-I206 WeakPolarHBondContact O-CG1 3.35Å; F202-I206 PolarHBondContact O-N 3.36Å; F202-I414 HydrophobicContact CD2-CG2 4.19Å
203	I	92.1	Very high	87.5	Confident	80 Å²	80	55.8 Å²	55.8	41%	0.41	27%	0.267	S	S	.	.	H	α-helix	trans	-59.4	-50	175.8	-70.2	171.5	0	0	0	110.6	I199 V200 G205 I206 F207	I199-I203 HydrophobicContact CG2-CD1 3.72Å; I199-I203 HydrophobicContact CG2-CG1 4.42Å; I199-I203 WeakPolarHBondContact O-CB 3.25Å; I199-I203 VanDerWaalsContact O-CG1 3.29Å; I199-I203 WeakPolarHBondContact O-CG1 3.47Å; I199-I203 PolarHBondContact O-N 2.87Å; V200-I203 PolarHBondContact O-N 3.33Å; I203-G205 VanDerWaalsContact C-N 3.31Å; I203-G205 PolarHBondContact O-N 3.13Å; I203-I206 PolarHBondContact O-N 3.42Å; I203-F207 HydrophobicContact CG2-CD2 3.54Å; I203-F207 HydrophobicContact CG2-CE2 3.3Å; I203-F207 HydrophobicContact CG2-CZ 4.38Å; I203-F207 WeakPolarHBondContact O-CB 3.44Å; I203-F207 WeakPolarHBondContact O-CD2 3.47Å; I203-F207 WeakPolarHBondContact O-CG 3.35Å; I203-F207 PolarHBondContact O-N 3.01Å
204	L	89.5	Confident	85.9	Confident	30 Å²	30	57.7 Å²	57.7	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-32.8	179.3	-72	174.6	0	0	0	112.9	V200 I201 F207 C208 L369 L372	V200-L204 HydrophobicContact CG1-CD1 3.84Å; V200-L204 HydrophobicContact CG1-CG 4.4Å; V200-L204 WeakPolarHBondContact O-CB 3.43Å; V200-L204 WeakPolarHBondContact O-CG 3.34Å; V200-L204 PolarHBondContact O-N 3.34Å; I201-L204 PolarHBondContact O-N 3.48Å; L204-F207 WeakPolarHBondContact O-CB 3.29Å; L204-F207 PolarHBondContact O-N 3.1Å; L204-C208 WeakPolarHBondContact O-CB 3.31Å; L204-C208 PolarHBondContact O-N 3.11Å; L204-C208 PolarHBondContact O-SG 2.93Å; L204-L369 HydrophobicContact CD1-CD1 4.32Å; L204-L372 HydrophobicContact CD1-CB 3.51Å; L204-L372 HydrophobicContact CD1-CD1 3.32Å; L204-L372 HydrophobicContact CD1-CG 3.96Å
205	G	90	Very high	84.8	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.1	-46	173.9	0	0	0	0	0	112.1	I201 F202 I203 F207 C208 C209 I414	I201-G205 WeakPolarHBondContact O-CA 3.28Å; I201-G205 PolarHBondContact O-N 2.93Å; F202-G205 PolarHBondContact O-N 2.75Å; I203-G205 VanDerWaalsContact C-N 3.31Å; I203-G205 PolarHBondContact O-N 3.13Å; G205-F207 VanDerWaalsContact C-N 3.35Å; G205-C208 WeakPolarHBondContact O-CB 3.42Å; G205-C208 PolarHBondContact O-N 3.39Å; G205-C208 VanDerWaalsContact O-N 3.15Å; G205-C209 PolarHBondContact O-N 2.89Å; G205-C209 PolarHBondContact O-SG 2.71Å; G205-I414 VanDerWaalsContact CA-CD1 3.48Å
206	I	87.7	Confident	83.6	Confident	66 Å²	66	61.4 Å²	61.4	34%	0.338	30%	0.297	S	S	.	.	H	α-helix	trans	-61	-45.6	173.2	-70.6	169.3	0	0	0	110.6	F202 I203 C208 C209 F210	F202-I206 HydrophobicContact CD1-CD1 3.7Å; F202-I206 HydrophobicContact CE1-CD1 3.36Å; F202-I206 HydrophobicContact CE1-CG1 4.42Å; F202-I206 HydrophobicContact CG-CD1 4.45Å; F202-I206 HydrophobicContact CZ-CD1 3.86Å; F202-I206 WeakPolarHBondContact O-CG1 3.35Å; F202-I206 PolarHBondContact O-N 3.36Å; I203-I206 PolarHBondContact O-N 3.42Å; I206-C208 VanDerWaalsContact C-N 3.26Å; I206-C208 PolarHBondContact O-N 2.86Å; I206-C209 WeakPolarHBondContact O-CA 3.31Å; I206-C209 VanDerWaalsContact O-CB 3.25Å; I206-C209 WeakPolarHBondContact O-CB 3.36Å; I206-C209 PolarHBondContact O-N 3.18Å; I206-F210 HydrophobicContact CG2-CD2 3.88Å; I206-F210 HydrophobicContact CG2-CE2 3.49Å; I206-F210 VanDerWaalsContact CG2-CE2 3.49Å; I206-F210 VanDerWaalsContact O-CD2 3.25Å; I206-F210 WeakPolarHBondContact O-CD2 3.29Å; I206-F210 PolarHBondContact O-N 2.86Å; I206-F210 VanDerWaalsContact O-N 3.14Å
207	F	85.4	Confident	83	Confident	104 Å²	104	63.9 Å²	63.9	46%	0.456	31%	0.314	S	S	.	.	H	α-helix	trans	-58.2	-37.9	174.3	-85.4	-43.2	0	0	0	112.4	I203 L204 G205 C209 F210 L212	I203-F207 HydrophobicContact CG2-CD2 3.54Å; I203-F207 HydrophobicContact CG2-CE2 3.3Å; I203-F207 HydrophobicContact CG2-CZ 4.38Å; I203-F207 WeakPolarHBondContact O-CB 3.44Å; I203-F207 WeakPolarHBondContact O-CD2 3.47Å; I203-F207 WeakPolarHBondContact O-CG 3.35Å; I203-F207 PolarHBondContact O-N 3.01Å; L204-F207 WeakPolarHBondContact O-CB 3.29Å; L204-F207 PolarHBondContact O-N 3.1Å; G205-F207 VanDerWaalsContact C-N 3.35Å; F207-C209 VanDerWaalsContact C-N 3.34Å; F207-F210 PolarHBondContact O-N 2.91Å; F207-L212 HydrophobicContact CB-CD1 3.49Å; F207-L212 VanDerWaalsContact CB-CD1 3.49Å; F207-L212 HydrophobicContact CD1-CD1 3.99Å; F207-L212 HydrophobicContact CG-CD1 3.95Å; F207-L212 WeakPolarHBondContact O-CD1 3.42Å
208	C	84.4	Confident	82.2	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.007	34%	0.339	C	S	.	.	H	α-helix	trans	-66.2	-32.4	172	-73.3	0	0	0	0	113	L204 G205 I206 G211 L373 R405	L204-C208 WeakPolarHBondContact O-CB 3.31Å; L204-C208 PolarHBondContact O-N 3.11Å; L204-C208 PolarHBondContact O-SG 2.93Å; G205-C208 WeakPolarHBondContact O-CB 3.42Å; G205-C208 PolarHBondContact O-N 3.39Å; G205-C208 VanDerWaalsContact O-N 3.15Å; I206-C208 VanDerWaalsContact C-N 3.26Å; I206-C208 PolarHBondContact O-N 2.86Å; C208-G211 PolarHBondContact O-N 3.28Å; C208-L373 WeakPolarHBondContact SG-CD1 3.43Å; C208-R405 WeakPolarHBondContact O-CD 3.12Å; C208-R405 PolarHBondContact O-NH1 3.18Å
209	C	83.4	Confident	81.3	Confident	17 Å²	17	67.7 Å²	67.7	12%	0.115	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-42.3	173	-68.1	0	0	0	0	111.7	G205 I206 F207 G211 F403 I410	G205-C209 PolarHBondContact O-N 2.89Å; G205-C209 PolarHBondContact O-SG 2.71Å; I206-C209 WeakPolarHBondContact O-CA 3.31Å; I206-C209 VanDerWaalsContact O-CB 3.25Å; I206-C209 WeakPolarHBondContact O-CB 3.36Å; I206-C209 PolarHBondContact O-N 3.18Å; F207-C209 VanDerWaalsContact C-N 3.34Å; C209-G211 PolarHBondContact O-N 3.45Å; C209-F403 HydrophobicContact CB-CD1 4.24Å; C209-F403 HydrophobicContact CB-CE1 4.38Å; C209-F403 WeakPolarHBondContact O-CB 3.28Å; C209-F403 WeakPolarHBondContact O-CD1 3.42Å; C209-I410 VanDerWaalsContact SG-CG2 3.51Å
210	F	81.6	Confident	80.6	Confident	143 Å²	143	65.1 Å²	65.1	63%	0.627	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-0.2	179.3	-74.1	-68	0	0	0	115	I206 F207 F403	I206-F210 HydrophobicContact CG2-CD2 3.88Å; I206-F210 HydrophobicContact CG2-CE2 3.49Å; I206-F210 VanDerWaalsContact CG2-CE2 3.49Å; I206-F210 VanDerWaalsContact O-CD2 3.25Å; I206-F210 WeakPolarHBondContact O-CD2 3.29Å; I206-F210 PolarHBondContact O-N 2.86Å; I206-F210 VanDerWaalsContact O-N 3.14Å; F207-F210 PolarHBondContact O-N 2.91Å; F210-F403 HydrophobicContact CD1-CD1 4.39Å; F210-F403 AromaticContact CD1-CE1 3.89Å; F210-F403 HydrophobicContact CD1-CE1 3.89Å; F210-F403 AromaticContact CE1-CE1 3.84Å; F210-F403 HydrophobicContact CE1-CE1 3.84Å; F210-F403 HydrophobicContact CZ-CE1 4.45Å
211	G	69.5	Low	80.2	Confident	26 Å²	26	69.2 Å²	69.2	27%	0.268	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	22.2	169.1	0	0	0	0	0	114.7	C208 C209 R213	C208-G211 PolarHBondContact O-N 3.28Å; C209-G211 PolarHBondContact O-N 3.45Å; G211-R213 PolarHBondContact O-N 3.21Å
212	L	65	Low	79.6	Confident	82 Å²	82	69.4 Å²	69.4	43%	0.429	34%	0.343	S	S	.	.			trans	-45.3	115.4	173.2	-81.8	159.3	0	0	0	110	F207 R405	F207-L212 HydrophobicContact CB-CD1 3.49Å; F207-L212 VanDerWaalsContact CB-CD1 3.49Å; F207-L212 HydrophobicContact CD1-CD1 3.99Å; F207-L212 HydrophobicContact CG-CD1 3.95Å; F207-L212 WeakPolarHBondContact O-CD1 3.42Å; L212-R405 PolarHBondContact O-NH2 3.47Å
213	R	63.2	Low	79	Confident	231 Å²	231	64.4 Å²	64.4	87%	0.872	32%	0.322	S	S	*	.			trans	-71.1	134.5	170.2	-70.3	-173.7	176.9	-174.2	-0.4	106.9	G211 N215	G211-R213 PolarHBondContact O-N 3.21Å; R213-N215 PolarHBondContact O-N 3.38Å
214	K	59.6	Low	78.7	Confident	57 Å²	57	63.2 Å²	63.2	25%	0.248	33%	0.325	C	S	.	.			trans	-61.8	111	172.9	-174.8	179.6	-179.3	178.8	0	108.1	L216 T219 L377	K214-L216 PolarHBondContact O-N 2.95Å; K214-T219 HydrophobicContact CG-CG2 4.28Å; K214-L377 HydrophobicContact CB-CD1 4.13Å
215	N	69.6	Low	78.7	Confident	93 Å²	93	64.6 Å²	64.6	50%	0.497	33%	0.334	S	S	.	.			trans	-78	100.8	164.1	-173.7	-14.5	0	0	0	107.3	R213 V217 L218 T219	R213-N215 PolarHBondContact O-N 3.38Å; N215-V217 PolarHBondContact O-N 3.33Å; N215-V217 WeakPolarHBondContact OD1-CB 3.38Å; N215-V217 PolarHBondContact OD1-N 3.28Å; N215-V217 VanDerWaalsContact OD1-N 3.08Å; N215-L218 HydrophobicContact CB-CB 3.94Å; N215-L218 PolarHBondContact O-N 3.03Å; N215-L218 VanDerWaalsContact O-N 3.15Å; N215-L218 PolarHBondContact OD1-N 3.46Å; N215-T219 PolarHBondContact O-N 2.93Å; N215-T219 VanDerWaalsContact O-N 3.16Å
216	L	70.5	Confident	78.6	Confident	70 Å²	70	64.7 Å²	64.7	37%	0.366	33%	0.334	S	S	.	.	H	α-helix	trans	-53.9	-40.3	179.6	-179.4	64	0	0	0	111	L59 K214 T219 V220	L59-L216 HydrophobicContact CD2-CD2 4.33Å; K214-L216 PolarHBondContact O-N 2.95Å; L216-T219 PolarHBondContact O-N 3.34Å; L216-T219 PolarHBondContact O-OG1 2.73Å; L216-V220 HydrophobicContact CD1-CG2 4.26Å; L216-V220 HydrophobicContact CG-CG2 4.39Å; L216-V220 VanDerWaalsContact O-CG2 3.3Å; L216-V220 WeakPolarHBondContact O-CG2 3.31Å; L216-V220 PolarHBondContact O-N 3.43Å
217	V	80.1	Confident	78.6	Confident	90 Å²	90	62.7 Å²	62.7	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-61.4	-47.4	179.5	-180	0	0	0	0	110.7	N215 T219 V220 I221	N215-V217 PolarHBondContact O-N 3.33Å; N215-V217 WeakPolarHBondContact OD1-CB 3.38Å; N215-V217 PolarHBondContact OD1-N 3.28Å; N215-V217 VanDerWaalsContact OD1-N 3.08Å; V217-T219 VanDerWaalsContact C-N 3.33Å; V217-T219 PolarHBondContact O-N 2.92Å; V217-V220 PolarHBondContact O-N 2.91Å; V217-I221 HydrophobicContact CG1-CD1 3.59Å; V217-I221 HydrophobicContact CG1-CG1 4.22Å; V217-I221 WeakPolarHBondContact O-CB 3.36Å; V217-I221 VanDerWaalsContact O-CG1 3.29Å; V217-I221 WeakPolarHBondContact O-CG1 3.47Å; V217-I221 PolarHBondContact O-N 3.16Å
218	L	79.4	Confident	78.9	Confident	100 Å²	100	59 Å²	59	52%	0.524	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-42.1	178.4	-177.7	63.3	0	0	0	112	N215 S222	N215-L218 HydrophobicContact CB-CB 3.94Å; N215-L218 PolarHBondContact O-N 3.03Å; N215-L218 VanDerWaalsContact O-N 3.15Å; N215-L218 PolarHBondContact OD1-N 3.46Å; L218-S222 VanDerWaalsContact O-CB 3.32Å; L218-S222 WeakPolarHBondContact O-CB 3.33Å; L218-S222 PolarHBondContact O-N 3.29Å
219	T	76.4	Confident	79.4	Confident	11 Å²	11	59.1 Å²	59.1	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-66.9	-37.1	178.2	53.7	0	0	0	0	112.7	K214 N215 L216 V217 S223	K214-T219 HydrophobicContact CG-CG2 4.28Å; N215-T219 PolarHBondContact O-N 2.93Å; N215-T219 VanDerWaalsContact O-N 3.16Å; L216-T219 PolarHBondContact O-N 3.34Å; L216-T219 PolarHBondContact O-OG1 2.73Å; V217-T219 VanDerWaalsContact C-N 3.33Å; V217-T219 PolarHBondContact O-N 2.92Å; T219-S223 VanDerWaalsContact O-CB 3.25Å; T219-S223 WeakPolarHBondContact O-CB 3.31Å; T219-S223 PolarHBondContact O-N 3.47Å
220	V	80.8	Confident	79.8	Confident	39 Å²	39	58.4 Å²	58.4	24%	0.236	31%	0.313	C	S	.	.	H	α-helix	trans	-70.5	-43.9	177.3	170.8	0	0	0	0	110.8	F66 L216 V217 S223 A224	F66-V220 HydrophobicContact CB-CG1 4.36Å; L216-V220 HydrophobicContact CD1-CG2 4.26Å; L216-V220 HydrophobicContact CG-CG2 4.39Å; L216-V220 VanDerWaalsContact O-CG2 3.3Å; L216-V220 WeakPolarHBondContact O-CG2 3.31Å; L216-V220 PolarHBondContact O-N 3.43Å; V217-V220 PolarHBondContact O-N 2.91Å; V220-S223 PolarHBondContact O-N 3.21Å; V220-A224 WeakPolarHBondContact O-CB 3.29Å; V220-A224 PolarHBondContact O-N 3.2Å
221	I	86.2	Confident	80.5	Confident	99 Å²	99	55.1 Å²	55.1	51%	0.508	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-49.8	177.8	-69.6	171.7	0	0	0	110.5	V217 S223 A224 V225	V217-I221 HydrophobicContact CG1-CD1 3.59Å; V217-I221 HydrophobicContact CG1-CG1 4.22Å; V217-I221 WeakPolarHBondContact O-CB 3.36Å; V217-I221 VanDerWaalsContact O-CG1 3.29Å; V217-I221 WeakPolarHBondContact O-CG1 3.47Å; V217-I221 PolarHBondContact O-N 3.16Å; I221-S223 VanDerWaalsContact C-N 3.31Å; I221-S223 PolarHBondContact O-N 3.09Å; I221-A224 WeakPolarHBondContact O-CB 3.3Å; I221-A224 PolarHBondContact O-N 3.48Å; I221-A224 VanDerWaalsContact O-N 3.11Å; I221-V225 WeakPolarHBondContact O-CG2 3.37Å; I221-V225 PolarHBondContact O-N 3.47Å
222	S	83.7	Confident	81.7	Confident	5 Å²	5	57.1 Å²	57.1	4%	0.035	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-36.3	-178.9	-173.6	0	0	0	0	112.4	L218 V225 N226 L366 G367 T370	L218-S222 VanDerWaalsContact O-CB 3.32Å; L218-S222 WeakPolarHBondContact O-CB 3.33Å; L218-S222 PolarHBondContact O-N 3.29Å; S222-V225 PolarHBondContact O-N 3.32Å; S222-N226 PolarHBondContact O-N 3.04Å; S222-L366 PolarHBondContact OG-O 3.32Å; S222-G367 WeakPolarHBondContact OG-CA 2.99Å; S222-T370 VanDerWaalsContact CB-CG2 3.44Å; S222-T370 WeakPolarHBondContact CB-OG1 3.32Å; S222-T370 WeakPolarHBondContact OG-CG2 3.49Å; S222-T370 PolarHBondContact OG-OG1 3.47Å
223	S	80.8	Confident	83.2	Confident	8 Å²	8	53.3 Å²	53.3	6%	0.056	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-43.7	170.1	177.3	0	0	0	0	112.1	T70 T219 V220 I221 V225 N226 V227	T70-S223 VanDerWaalsContact CA-OG 3.26Å; T70-S223 WeakPolarHBondContact CA-OG 3.41Å; T70-S223 VanDerWaalsContact OG1-CB 3.25Å; T70-S223 WeakPolarHBondContact OG1-CB 3.39Å; T70-S223 PolarHBondContact OG1-OG 2.85Å; T219-S223 VanDerWaalsContact O-CB 3.25Å; T219-S223 WeakPolarHBondContact O-CB 3.31Å; T219-S223 PolarHBondContact O-N 3.47Å; V220-S223 PolarHBondContact O-N 3.21Å; I221-S223 VanDerWaalsContact C-N 3.31Å; I221-S223 PolarHBondContact O-N 3.09Å; S223-V225 VanDerWaalsContact C-N 3.26Å; S223-V225 PolarHBondContact O-N 3.23Å; S223-N226 WeakPolarHBondContact O-CA 3.39Å; S223-N226 VanDerWaalsContact O-CB 3.24Å; S223-N226 WeakPolarHBondContact O-CB 3.29Å; S223-N226 PolarHBondContact O-N 2.9Å; S223-V227 WeakPolarHBondContact O-CG2 3.05Å; S223-V227 PolarHBondContact O-N 2.92Å
224	A	85.8	Confident	84.7	Confident	56 Å²	56	42.6 Å²	42.6	46%	0.463	25%	0.245	S	C	.	.	H	α-helix	trans	-59.6	-38	176.9	0	0	0	0	0	111.7	V220 I221 V227 G228	V220-A224 WeakPolarHBondContact O-CB 3.29Å; V220-A224 PolarHBondContact O-N 3.2Å; I221-A224 WeakPolarHBondContact O-CB 3.3Å; I221-A224 PolarHBondContact O-N 3.48Å; I221-A224 VanDerWaalsContact O-N 3.11Å; A224-V227 PolarHBondContact O-N 2.88Å; A224-G228 PolarHBondContact O-N 3.03Å
225	V	89.3	Confident	86.5	Confident	59 Å²	59	44.7 Å²	44.7	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-43.4	171.3	174.5	0	0	0	0	111.2	I221 S222 S223 G228 A229 L366	I221-V225 WeakPolarHBondContact O-CG2 3.37Å; I221-V225 PolarHBondContact O-N 3.47Å; S222-V225 PolarHBondContact O-N 3.32Å; S223-V225 VanDerWaalsContact C-N 3.26Å; S223-V225 PolarHBondContact O-N 3.23Å; V225-G228 PolarHBondContact O-N 3.45Å; V225-A229 WeakPolarHBondContact O-CB 3.34Å; V225-A229 PolarHBondContact O-N 2.97Å; V225-L366 HydrophobicContact CG1-CD2 4.2Å
226	N	87.3	Confident	87.7	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-48.6	176.8	-161	33.8	0	0	0	112.1	L73 Y78 S222 S223 G228 A229 L230	L73-N226 PolarHBondContact O-ND2 3.41Å; Y78-N226 PolarHBondContact OH-ND2 3.18Å; Y78-N226 VanDerWaalsContact OH-ND2 3.14Å; Y78-N226 PolarHBondContact OH-OD1 3.11Å; S222-N226 PolarHBondContact O-N 3.04Å; S223-N226 WeakPolarHBondContact O-CA 3.39Å; S223-N226 VanDerWaalsContact O-CB 3.24Å; S223-N226 WeakPolarHBondContact O-CB 3.29Å; S223-N226 PolarHBondContact O-N 2.9Å; N226-G228 VanDerWaalsContact C-N 3.34Å; N226-A229 PolarHBondContact O-N 2.85Å; N226-L230 PolarHBondContact O-N 3.15Å; N226-L230 VanDerWaalsContact O-N 3.1Å
227	V	89.1	Confident	88.9	Confident	25 Å²	25	37.5 Å²	37.5	15%	0.152	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-45.4	177	-171.6	0	0	0	0	110.3	L73 S223 A224 A229 L230 L231	L73-V227 HydrophobicContact CD1-CB 4.1Å; L73-V227 HydrophobicContact CD1-CG1 3.94Å; L73-V227 HydrophobicContact CD1-CG2 3.22Å; L73-V227 HydrophobicContact CG-CG2 4.47Å; S223-V227 WeakPolarHBondContact O-CG2 3.05Å; S223-V227 PolarHBondContact O-N 2.92Å; A224-V227 PolarHBondContact O-N 2.88Å; V227-A229 PolarHBondContact O-N 3.37Å; V227-L230 PolarHBondContact O-N 3.42Å; V227-L231 HydrophobicContact CG1-CD1 4.11Å; V227-L231 HydrophobicContact CG1-CG 4.43Å; V227-L231 WeakPolarHBondContact O-CG 3.34Å; V227-L231 PolarHBondContact O-N 3.47Å
228	G	91.6	Very high	89.6	Confident	25 Å²	25	36.8 Å²	36.8	26%	0.258	21%	0.209	S	C	.	.	H	α-helix	trans	-59.4	-44.4	177.7	0	0	0	0	0	112.1	A224 V225 N226 L230 L231 I232	A224-G228 PolarHBondContact O-N 3.03Å; V225-G228 PolarHBondContact O-N 3.45Å; N226-G228 VanDerWaalsContact C-N 3.34Å; G228-L230 PolarHBondContact O-N 3.37Å; G228-L231 PolarHBondContact O-N 3.18Å; G228-I232 WeakPolarHBondContact O-CB 3.36Å; G228-I232 WeakPolarHBondContact O-CG1 3.42Å; G228-I232 PolarHBondContact O-N 2.94Å
229	A	93.9	Very high	90.4	Very high	5 Å²	5	37.6 Å²	37.6	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-43.9	176.6	0	0	0	0	0	112	V225 N226 V227 I232 A233 F364	V225-A229 WeakPolarHBondContact O-CB 3.34Å; V225-A229 PolarHBondContact O-N 2.97Å; N226-A229 PolarHBondContact O-N 2.85Å; V227-A229 PolarHBondContact O-N 3.37Å; A229-I232 PolarHBondContact O-N 3.32Å; A229-A233 WeakPolarHBondContact O-CB 3.5Å; A229-A233 PolarHBondContact O-N 2.89Å; A229-F364 HydrophobicContact CB-CD1 3.98Å; A229-F364 HydrophobicContact CB-CE1 3.94Å
230	L	93.6	Very high	91.1	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-39.9	177	-177.5	59	0	0	0	112	I77 Y78 N226 V227 G228 A233 T234 V313 F336 F364	I77-L230 HydrophobicContact CD1-CD2 4.43Å; Y78-L230 HydrophobicContact CE1-CD1 4.31Å; N226-L230 PolarHBondContact O-N 3.15Å; N226-L230 VanDerWaalsContact O-N 3.1Å; V227-L230 PolarHBondContact O-N 3.42Å; G228-L230 PolarHBondContact O-N 3.37Å; L230-A233 PolarHBondContact O-N 3.37Å; L230-T234 WeakPolarHBondContact O-CB 3.33Å; L230-T234 PolarHBondContact O-N 2.92Å; L230-T234 PolarHBondContact O-OG1 3.4Å; L230-V313 HydrophobicContact CD2-CG1 3.68Å; L230-V313 HydrophobicContact CG-CG1 4.18Å; L230-F336 HydrophobicContact CD1-CD1 4.37Å; L230-F336 HydrophobicContact CD1-CD2 4.31Å; L230-F336 HydrophobicContact CD1-CE1 4.08Å; L230-F336 HydrophobicContact CD1-CE2 4Å; L230-F336 HydrophobicContact CD1-CG 4.48Å; L230-F336 HydrophobicContact CD1-CZ 3.88Å; L230-F364 HydrophobicContact CB-CE1 4.06Å; L230-F364 HydrophobicContact CB-CZ 4.45Å; L230-F364 HydrophobicContact CD1-CZ 4.19Å
231	L	94.6	Very high	91.7	Very high	73 Å²	73	40.4 Å²	40.4	38%	0.382	23%	0.226	S	C	.	.	H	α-helix	trans	-65.4	-44.1	175.7	-75.2	174.9	0	0	0	112	V227 G228 A233 T234 I235 V313	V227-L231 HydrophobicContact CG1-CD1 4.11Å; V227-L231 HydrophobicContact CG1-CG 4.43Å; V227-L231 WeakPolarHBondContact O-CG 3.34Å; V227-L231 PolarHBondContact O-N 3.47Å; G228-L231 PolarHBondContact O-N 3.18Å; L231-A233 VanDerWaalsContact C-N 3.33Å; L231-A233 PolarHBondContact O-N 2.73Å; L231-T234 WeakPolarHBondContact O-CB 3.28Å; L231-T234 PolarHBondContact O-N 2.94Å; L231-I235 VanDerWaalsContact O-CG1 3.3Å; L231-I235 WeakPolarHBondContact O-CG1 3.33Å; L231-I235 PolarHBondContact O-N 3Å; L231-V313 HydrophobicContact CD2-CG1 4.41Å; L231-V313 HydrophobicContact CD2-CG2 4.05Å
232	I	95.8	Very high	91.7	Very high	69 Å²	69	38.7 Å²	38.7	35%	0.354	22%	0.215	S	C	.	.	H	α-helix	trans	-60.4	-45.1	175.8	-70	165	0	0	0	110.3	G228 A229 T234 I235 Y236 M356 L359	G228-I232 WeakPolarHBondContact O-CB 3.36Å; G228-I232 WeakPolarHBondContact O-CG1 3.42Å; G228-I232 PolarHBondContact O-N 2.94Å; A229-I232 PolarHBondContact O-N 3.32Å; I232-T234 VanDerWaalsContact C-N 3.33Å; I232-T234 PolarHBondContact O-N 3.13Å; I232-I235 PolarHBondContact O-N 2.93Å; I232-Y236 WeakPolarHBondContact O-CB 3.46Å; I232-Y236 PolarHBondContact O-N 2.75Å; I232-M356 HydrophobicContact CG2-CE 3.76Å; I232-M356 HydrophobicContact CG2-SD 4.17Å; I232-L359 HydrophobicContact CD1-CD2 4.09Å; I232-L359 HydrophobicContact CG2-CD2 4.12Å
233	A	95.2	Very high	91.7	Very high	1 Å²	1	49 Å²	49	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-45.9	175	0	0	0	0	0	111.3	A229 L230 L231 Y236 M237 V360	A229-A233 WeakPolarHBondContact O-CB 3.5Å; A229-A233 PolarHBondContact O-N 2.89Å; L230-A233 PolarHBondContact O-N 3.37Å; L231-A233 VanDerWaalsContact C-N 3.33Å; L231-A233 PolarHBondContact O-N 2.73Å; A233-Y236 PolarHBondContact O-N 2.6Å; A233-M237 HydrophobicContact CB-CE 4.44Å; A233-M237 WeakPolarHBondContact O-CB 3.31Å; A233-M237 WeakPolarHBondContact O-CG 3.44Å; A233-M237 PolarHBondContact O-N 3.37Å; A233-V360 HydrophobicContact CB-CB 4.49Å; A233-V360 HydrophobicContact CB-CG1 3.87Å; A233-V360 HydrophobicContact CB-CG2 3.78Å
234	T	95.8	Very high	91.7	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-46.8	179.5	-58.6	0	0	0	0	111.6	L230 L231 I232 M237 F238 L316 S317 A320	L230-T234 WeakPolarHBondContact O-CB 3.33Å; L230-T234 PolarHBondContact O-N 2.92Å; L230-T234 PolarHBondContact O-OG1 3.4Å; L231-T234 WeakPolarHBondContact O-CB 3.28Å; L231-T234 PolarHBondContact O-N 2.94Å; I232-T234 VanDerWaalsContact C-N 3.33Å; I232-T234 PolarHBondContact O-N 3.13Å; T234-M237 PolarHBondContact O-N 3.03Å; T234-F238 HydrophobicContact CG2-CD2 3.87Å; T234-F238 HydrophobicContact CG2-CE2 3.64Å; T234-F238 VanDerWaalsContact O-CD2 3.27Å; T234-F238 WeakPolarHBondContact O-CD2 3.48Å; T234-F238 PolarHBondContact O-N 2.75Å; T234-L316 HydrophobicContact CG2-CB 4.24Å; T234-S317 WeakPolarHBondContact OG1-CB 3.47Å; T234-A320 HydrophobicContact CG2-CB 3.87Å
235	I	96.8	Very high	91.5	Very high	101 Å²	101	51.8 Å²	51.8	52%	0.518	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-46.2	177.8	-67.8	164.8	0	0	0	110.5	L231 I232 M237 F238 I239	L231-I235 VanDerWaalsContact O-CG1 3.3Å; L231-I235 WeakPolarHBondContact O-CG1 3.33Å; L231-I235 PolarHBondContact O-N 3Å; I232-I235 PolarHBondContact O-N 2.93Å; I235-M237 PolarHBondContact O-N 2.87Å; I235-F238 PolarHBondContact O-N 3.04Å; I235-I239 HydrophobicContact CG2-CD1 3.86Å; I235-I239 HydrophobicContact CG2-CG1 4.49Å; I235-I239 VanDerWaalsContact O-CG1 3.32Å; I235-I239 WeakPolarHBondContact O-CG1 3.22Å; I235-I239 PolarHBondContact O-N 3.24Å
236	Y	95.8	Very high	90.7	Very high	13 Å²	13	52.2 Å²	52.2	5%	0.051	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-45	177.7	-179.2	-94.9	0	0	0	112.4	I232 A233 F238 I239 Y240 Y324 L340 A348 R353 M356	I232-Y236 WeakPolarHBondContact O-CB 3.46Å; I232-Y236 PolarHBondContact O-N 2.75Å; A233-Y236 PolarHBondContact O-N 2.6Å; Y236-F238 VanDerWaalsContact C-N 3.29Å; Y236-F238 PolarHBondContact O-N 3.44Å; Y236-I239 PolarHBondContact O-N 3.32Å; Y236-Y240 HydrophobicContact CD1-CD2 4.32Å; Y236-Y240 AromaticContact CD2-CD2 3.9Å; Y236-Y240 HydrophobicContact CD2-CD2 3.9Å; Y236-Y240 AromaticContact CD2-CE2 3.72Å; Y236-Y240 HydrophobicContact CD2-CE2 3.72Å; Y236-Y240 HydrophobicContact CE1-CD2 4.06Å; Y236-Y240 AromaticContact CE2-CD2 3.65Å; Y236-Y240 HydrophobicContact CE2-CD2 3.65Å; Y236-Y240 AromaticContact CE2-CE2 3.31Å; Y236-Y240 HydrophobicContact CE2-CE2 3.31Å; Y236-Y240 HydrophobicContact CG-CD2 4.26Å; Y236-Y240 AromaticContact CZ-CD2 3.73Å; Y236-Y240 AromaticContact CZ-CE2 3.78Å; Y236-Y240 WeakPolarHBondContact O-CD2 3.5Å; Y236-Y240 PolarHBondContact O-N 2.79Å; Y236-Y324 HydrophobicContact CE1-CE2 4.14Å; Y236-L340 HydrophobicContact CD1-CD2 3.51Å; Y236-L340 HydrophobicContact CE1-CD2 3.59Å; Y236-A348 WeakPolarHBondContact OH-CB 3.44Å; Y236-R353 WeakPolarHBondContact OH-CG 3.4Å; Y236-R353 PolarHBondContact OH-N 3.39Å; Y236-M356 HydrophobicContact CD1-CG 4.27Å; Y236-M356 HydrophobicContact CD2-CE 3.51Å; Y236-M356 HydrophobicContact CD2-CG 3.55Å; Y236-M356 HydrophobicContact CD2-SD 4.39Å; Y236-M356 HydrophobicContact CE1-CB 4.47Å; Y236-M356 HydrophobicContact CE1-CG 4.32Å; Y236-M356 HydrophobicContact CE2-CB 4.49Å; Y236-M356 HydrophobicContact CE2-CE 4.32Å; Y236-M356 HydrophobicContact CE2-CG 3.57Å; Y236-M356 HydrophobicContact CG-CE 3.93Å; Y236-M356 HydrophobicContact CG-CG 3.89Å
237	M	95.1	Very high	89.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-37.6	177	-73.8	-177.2	-164.4	0	0	111.9	A233 T234 I235 Y240 A241 A320 L321 Y324 F336 L340	A233-M237 HydrophobicContact CB-CE 4.44Å; A233-M237 WeakPolarHBondContact O-CB 3.31Å; A233-M237 WeakPolarHBondContact O-CG 3.44Å; A233-M237 PolarHBondContact O-N 3.37Å; T234-M237 PolarHBondContact O-N 3.03Å; I235-M237 PolarHBondContact O-N 2.87Å; M237-Y240 CarbonylContact O-C 3.5Å; M237-A241 PolarHBondContact O-N 3.26Å; M237-A241 VanDerWaalsContact O-N 3.1Å; M237-A320 HydrophobicContact CB-CB 3.84Å; M237-L321 HydrophobicContact CE-CD1 4.1Å; M237-L321 HydrophobicContact SD-CB 4.07Å; M237-L321 HydrophobicContact SD-CD1 3.79Å; M237-Y324 HydrophobicContact CB-CD2 4.32Å; M237-Y324 HydrophobicContact CB-CG 3.97Å; M237-Y324 HydrophobicContact CG-CD1 3.82Å; M237-Y324 HydrophobicContact CG-CD2 4.27Å; M237-Y324 HydrophobicContact CG-CE1 4.43Å; M237-Y324 HydrophobicContact CG-CG 3.73Å; M237-Y324 HydrophobicContact SD-CD1 4.35Å; M237-F336 HydrophobicContact CE-CB 4.07Å; M237-F336 HydrophobicContact CE-CD1 3.78Å; M237-F336 HydrophobicContact CE-CG 4.43Å; M237-F336 HydrophobicContact SD-CD1 4.1Å; M237-L340 HydrophobicContact CE-CD1 4.47Å; M237-L340 HydrophobicContact CE-CD2 4.17Å; M237-L340 HydrophobicContact CE-CG 3.98Å
238	F	95.4	Very high	88.8	Confident	74 Å²	74	56.6 Å²	56.6	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-41.2	173.7	-84	-52.4	0	0	0	113.7	T234 I235 Y236 Y240 A241 L316 L319 A320 L323	T234-F238 HydrophobicContact CG2-CD2 3.87Å; T234-F238 HydrophobicContact CG2-CE2 3.64Å; T234-F238 VanDerWaalsContact O-CD2 3.27Å; T234-F238 WeakPolarHBondContact O-CD2 3.48Å; T234-F238 PolarHBondContact O-N 2.75Å; I235-F238 PolarHBondContact O-N 3.04Å; Y236-F238 VanDerWaalsContact C-N 3.29Å; Y236-F238 PolarHBondContact O-N 3.44Å; F238-Y240 VanDerWaalsContact C-N 3.26Å; F238-Y240 PolarHBondContact O-N 3.34Å; F238-A241 VanDerWaalsContact O-CB 3.23Å; F238-A241 WeakPolarHBondContact O-CB 3.38Å; F238-A241 PolarHBondContact O-N 2.96Å; F238-L316 HydrophobicContact CE2-CB 4.34Å; F238-L316 HydrophobicContact CE2-CD2 4.44Å; F238-L316 HydrophobicContact CZ-CD2 4.38Å; F238-L316 WeakPolarHBondContact CZ-O 3.35Å; F238-L319 HydrophobicContact CE1-CD2 3.43Å; F238-L319 VanDerWaalsContact CE1-CD2 3.43Å; F238-L319 HydrophobicContact CZ-CB 4.45Å; F238-L319 HydrophobicContact CZ-CD2 3.77Å; F238-A320 HydrophobicContact CD1-CB 3.99Å; F238-A320 HydrophobicContact CD2-CB 3.74Å; F238-A320 HydrophobicContact CE1-CB 3.85Å; F238-A320 HydrophobicContact CE2-CB 3.62Å; F238-A320 HydrophobicContact CG-CB 3.92Å; F238-A320 HydrophobicContact CZ-CB 3.66Å; F238-L323 HydrophobicContact CD1-CD1 4.49Å; F238-L323 HydrophobicContact CE1-CD1 4.21Å
239	I	94.6	Very high	87.3	Confident	117 Å²	117	59 Å²	59	60%	0.6	29%	0.288	S	S	*	.	H	α-helix	trans	-60.9	-38.9	179.4	-69.4	165.1	0	0	0	111	I235 Y236	I235-I239 HydrophobicContact CG2-CD1 3.86Å; I235-I239 HydrophobicContact CG2-CG1 4.49Å; I235-I239 VanDerWaalsContact O-CG1 3.32Å; I235-I239 WeakPolarHBondContact O-CG1 3.22Å; I235-I239 PolarHBondContact O-N 3.24Å; Y236-I239 PolarHBondContact O-N 3.32Å
240	Y	92.7	Very high	85.8	Confident	71 Å²	71	64.2 Å²	64.2	28%	0.278	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	22.3	-178.8	-63.8	-75.1	0	0	0	113.3	Y236 M237 F238 A348	Y236-Y240 HydrophobicContact CD1-CD2 4.32Å; Y236-Y240 AromaticContact CD2-CD2 3.9Å; Y236-Y240 HydrophobicContact CD2-CD2 3.9Å; Y236-Y240 AromaticContact CD2-CE2 3.72Å; Y236-Y240 HydrophobicContact CD2-CE2 3.72Å; Y236-Y240 HydrophobicContact CE1-CD2 4.06Å; Y236-Y240 AromaticContact CE2-CD2 3.65Å; Y236-Y240 HydrophobicContact CE2-CD2 3.65Å; Y236-Y240 AromaticContact CE2-CE2 3.31Å; Y236-Y240 HydrophobicContact CE2-CE2 3.31Å; Y236-Y240 HydrophobicContact CG-CD2 4.26Å; Y236-Y240 AromaticContact CZ-CD2 3.73Å; Y236-Y240 AromaticContact CZ-CE2 3.78Å; Y236-Y240 WeakPolarHBondContact O-CD2 3.5Å; Y236-Y240 PolarHBondContact O-N 2.79Å; M237-Y240 CarbonylContact O-C 3.5Å; F238-Y240 VanDerWaalsContact C-N 3.26Å; F238-Y240 PolarHBondContact O-N 3.34Å; Y240-A348 HydrophobicContact CD1-CB 3.71Å; Y240-A348 HydrophobicContact CD2-CB 4.06Å; Y240-A348 VanDerWaalsContact CE1-CA 3.46Å; Y240-A348 HydrophobicContact CE1-CB 3.56Å; Y240-A348 HydrophobicContact CE2-CB 3.95Å; Y240-A348 HydrophobicContact CG-CB 3.95Å
241	A	91.7	Very high	84	Confident	38 Å²	38	68.4 Å²	68.4	31%	0.314	34%	0.335	S	S	.	.			trans	-67	137.4	179.1	0	0	0	0	0	112	M237 F238 L323	M237-A241 PolarHBondContact O-N 3.26Å; M237-A241 VanDerWaalsContact O-N 3.1Å; F238-A241 VanDerWaalsContact O-CB 3.23Å; F238-A241 WeakPolarHBondContact O-CB 3.38Å; F238-A241 PolarHBondContact O-N 2.96Å; A241-L323 HydrophobicContact CB-CB 3.82Å; A241-L323 HydrophobicContact CB-CD1 4.41Å
242	K	87.8	Confident	82.1	Confident	64 Å²	64	68.1 Å²	68.1	28%	0.278	35%	0.349	S	S	.	.			trans	-113.2	117.3	170.6	-63.8	-176.7	-175.4	175.4	0	109.7	N244 H245 L323 E345	K242-N244 PolarHBondContact O-N 3.12Å; K242-H245 PolarHBondContact O-N 2.9Å; K242-H245 VanDerWaalsContact O-N 3.13Å; K242-L323 PolarHBondContact N-O 3.49Å; K242-E345 WeakPolarHBondContact CE-O 3.49Å; K242-E345 PolarHBondContact NZ-O 3.39Å
243	R	82.9	Confident	80.1	Confident	221 Å²	221	68.6 Å²	68.6	83%	0.834	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-55.6	-28.2	177.2	-70.6	-172.4	-76.3	-159.9	-3.3	113.2	H245 Y246	R243-H245 VanDerWaalsContact C-N 3.27Å; R243-H245 PolarHBondContact O-N 3.08Å; R243-Y246 WeakPolarHBondContact O-CB 3.5Å; R243-Y246 PolarHBondContact O-N 3.43Å
244	N	80.5	Confident	77.9	Confident	118 Å²	118	75.5 Å²	75.5	63%	0.631	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-61.3	-33.8	-179.4	-66.3	6.3	0	0	0	112.5	K242 Y246 S247 I248	K242-N244 PolarHBondContact O-N 3.12Å; N244-Y246 PolarHBondContact O-N 3.18Å; N244-Y246 VanDerWaalsContact O-N 3.11Å; N244-S247 PolarHBondContact O-N 3.35Å; N244-S247 PolarHBondContact O-OG 2.89Å; N244-I248 WeakPolarHBondContact O-CG1 3.41Å; N244-I248 PolarHBondContact O-N 3.27Å
245	H	81.7	Confident	75.8	Confident	5 Å²	5	78 Å²	78	2%	0.023	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-57.9	-26.8	-179.7	-65.3	153.3	0	0	0	113.3	K242 R243 S247 L323 Y324	K242-H245 PolarHBondContact O-N 2.9Å; K242-H245 VanDerWaalsContact O-N 3.13Å; R243-H245 VanDerWaalsContact C-N 3.27Å; R243-H245 PolarHBondContact O-N 3.08Å; H245-S247 VanDerWaalsContact C-N 3.27Å; H245-S247 PolarHBondContact O-N 2.85Å; H245-L323 PolarHBondContact ND1-O 3.41Å; H245-Y324 PolarHBondContact CE1-O 2.7Å; H245-Y324 PolarHBondContact ND1-O 3.44Å
246	Y	73.8	Confident	73.5	Confident	68 Å²	68	80.8 Å²	80.8	27%	0.267	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-71.6	-21.3	177.4	-133.1	-110.9	0	0	0	113.9	P91 F94 R243 N244 F260 L323	P91-Y246 HydrophobicContact CB-CD1 4.44Å; P91-Y246 HydrophobicContact CB-CD2 3.87Å; P91-Y246 HydrophobicContact CB-CE1 4.34Å; P91-Y246 HydrophobicContact CB-CE2 3.74Å; P91-Y246 HydrophobicContact CB-CG 4.24Å; P91-Y246 PolarHBondContact O-OH 2.71Å; F94-Y246 WeakPolarHBondContact CE1-OH 3.49Å; R243-Y246 WeakPolarHBondContact O-CB 3.5Å; R243-Y246 PolarHBondContact O-N 3.43Å; N244-Y246 PolarHBondContact O-N 3.18Å; N244-Y246 VanDerWaalsContact O-N 3.11Å; Y246-F260 HydrophobicContact CD1-CD2 4.22Å; Y246-F260 AromaticContact CE1-CD2 3.43Å; Y246-F260 HydrophobicContact CE1-CD2 3.43Å; Y246-F260 VanDerWaalsContact CE1-CD2 3.43Å; Y246-F260 AromaticContact CE1-CE2 3.5Å; Y246-F260 HydrophobicContact CE1-CE2 3.5Å; Y246-F260 AromaticContact CZ-CD2 3.99Å; Y246-F260 AromaticContact CZ-CE2 3.63Å; Y246-F260 VanDerWaalsContact OH-CE2 3.24Å; Y246-F260 WeakPolarHBondContact OH-CE2 3.31Å; Y246-L323 HydrophobicContact CD2-CD2 3.69Å; Y246-L323 HydrophobicContact CD2-CG 4.43Å; Y246-L323 HydrophobicContact CE2-CD2 4.24Å; Y246-L323 HydrophobicContact CG-CD2 4.38Å
247	S	67.7	Low	71.5	Confident	55 Å²	55	85.4 Å²	85.4	39%	0.385	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-110.5	3.2	-175.2	61	0	0	0	0	114	N244 H245 I249	N244-S247 PolarHBondContact O-N 3.35Å; N244-S247 PolarHBondContact O-OG 2.89Å; H245-S247 VanDerWaalsContact C-N 3.27Å; H245-S247 PolarHBondContact O-N 2.85Å; S247-I249 PolarHBondContact O-N 2.92Å
248	I	67.6	Low	69.6	Low	63 Å²	63	93.5 Å²	93.5	32%	0.323	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-71.3	125.8	-177.4	-59.5	-179	0	0	0	109.9	N244 F328	N244-I248 WeakPolarHBondContact O-CG1 3.41Å; N244-I248 PolarHBondContact O-N 3.27Å; I248-F328 HydrophobicContact CB-CE1 4.2Å; I248-F328 HydrophobicContact CG2-CE1 3.59Å; I248-F328 HydrophobicContact CG2-CZ 3.96Å
249	I	60.7	Low	68.3	Low	74 Å²	74	94.4 Å²	94.4	38%	0.379	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-74.7	129.1	172.3	-57.3	162.9	0	0	0	107.3	S247 I253	S247-I249 PolarHBondContact O-N 2.92Å; I249-I253 HydrophobicContact CG2-CB 4.38Å; I249-I253 VanDerWaalsContact CG2-O 3.28Å; I249-I253 WeakPolarHBondContact CG2-O 3.03Å
250	Y	61.5	Low	67.7	Low	115 Å²	115	92.2 Å²	92.2	45%	0.451	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-52.3	130.9	171.7	-179.1	-90.7	0	0	0	109.5	G252 I253 W327 F328	Y250-G252 VanDerWaalsContact C-N 3.33Å; Y250-G252 PolarHBondContact O-N 3.01Å; Y250-I253 PolarHBondContact O-N 3.38Å; Y250-W327 AromaticContact CD2-CH2 3.97Å; Y250-W327 HydrophobicContact CD2-CH2 3.97Å; Y250-W327 HydrophobicContact CD2-CZ2 4.46Å; Y250-F328 HydrophobicContact CD2-CB 3.91Å; Y250-F328 HydrophobicContact CD2-CG 4.48Å; Y250-F328 HydrophobicContact CE2-CB 4.16Å
251	P	57.4	Low	67.3	Low	91 Å²	91	91.2 Å²	91.2	59%	0.591	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	92.7	179.7	25.9	-32.2	0	0	0	109.5
252	G	54.3	Low	66.8	Low	67 Å²	67	91.1 Å²	91.1	69%	0.691	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	151.5	-16	-176.4	0	0	0	0	0	115.4	Y250	Y250-G252 VanDerWaalsContact C-N 3.33Å; Y250-G252 PolarHBondContact O-N 3.01Å
253	I	53.3	Low	66.7	Low	78 Å²	78	92.9 Å²	92.9	40%	0.4	47%	0.474	S	S	.	.			trans	-102.6	113.1	176.4	-61	169.8	0	0	0	108.9	I249 Y250 T255 Y259	I249-I253 HydrophobicContact CG2-CB 4.38Å; I249-I253 VanDerWaalsContact CG2-O 3.28Å; I249-I253 WeakPolarHBondContact CG2-O 3.03Å; Y250-I253 PolarHBondContact O-N 3.38Å; I253-T255 VanDerWaalsContact C-N 3.27Å; I253-T255 WeakPolarHBondContact CG2-OG1 3.45Å; I253-T255 PolarHBondContact O-N 3.46Å; I253-Y259 HydrophobicContact CG2-CE2 4.24Å
254	T	49.4	Very low	66.8	Low	146 Å²	146	83.9 Å²	83.9	90%	0.896	45%	0.45	S	S	*	.			trans	-83.5	12.5	-175.3	51.7	0	0	0	0	114.6
255	T	51.3	Low	67	Low	59 Å²	59	84.1 Å²	84.1	36%	0.362	45%	0.45	S	S	.	.			trans	-99.3	131.5	-179.9	60.8	0	0	0	0	111.8	I253 I257 Y259	I253-T255 VanDerWaalsContact C-N 3.27Å; I253-T255 WeakPolarHBondContact CG2-OG1 3.45Å; I253-T255 PolarHBondContact O-N 3.46Å; T255-I257 PolarHBondContact O-N 3.32Å; T255-Y259 PolarHBondContact OG1-OH 2.92Å; T255-Y259 VanDerWaalsContact OG1-OH 3.1Å
256	N	48	Very low	67.1	Low	159 Å²	159	89 Å²	89	85%	0.85	48%	0.475	S	S	*	.			trans	-71.2	18.4	-177.4	-94	-23.4	0	0	0	115.2
257	I	54.4	Low	67.8	Low	111 Å²	111	86.1 Å²	86.1	57%	0.569	47%	0.467	S	S	*	.			trans	-95.2	121.3	-176.5	-52.3	175.6	0	0	0	108.8	T255 Y259	T255-I257 PolarHBondContact O-N 3.32Å; I257-Y259 HydrophobicContact CB-CE2 4.24Å; I257-Y259 WeakPolarHBondContact O-CD2 3.44Å; I257-Y259 VanDerWaalsContact O-CE2 3.22Å; I257-Y259 WeakPolarHBondContact O-CE2 3.38Å; I257-Y259 PolarHBondContact O-N 3.45Å
258	K	55.8	Low	68.9	Low	169 Å²	169	84.3 Å²	84.3	74%	0.735	45%	0.453	S	S	*	.			trans	-64.4	103.1	176	-66.5	177.6	-179.6	178	0	109.6	F260	K258-F260 PolarHBondContact O-N 2.93Å
259	Y	67.3	Low	69.9	Low	94 Å²	94	84 Å²	84	37%	0.369	45%	0.451	S	S	.	.			trans	-85.6	91.9	177.9	-64.1	-78.9	0	0	0	111	I253 T255 I257 L261	I253-Y259 HydrophobicContact CG2-CE2 4.24Å; T255-Y259 PolarHBondContact OG1-OH 2.92Å; T255-Y259 VanDerWaalsContact OG1-OH 3.1Å; I257-Y259 HydrophobicContact CB-CE2 4.24Å; I257-Y259 WeakPolarHBondContact O-CD2 3.44Å; I257-Y259 VanDerWaalsContact O-CE2 3.22Å; I257-Y259 WeakPolarHBondContact O-CE2 3.38Å; I257-Y259 PolarHBondContact O-N 3.45Å; Y259-L261 PolarHBondContact O-N 3.28Å
260	F	82.2	Confident	71.3	Confident	71 Å²	71	81.3 Å²	81.3	31%	0.311	44%	0.439	S	S	.	.	S	Bend	trans	-62	-28.1	159.7	175.2	-120.5	0	0	0	111.3	P91 S92 F94 Y246 K258	P91-F260 HydrophobicContact CB-CD2 4.42Å; P91-F260 HydrophobicContact CG-CD2 4.3Å; P91-F260 WeakPolarHBondContact CG-O 3.49Å; S92-F260 WeakPolarHBondContact CB-O 3.29Å; F94-F260 AromaticContact CE1-CE2 3.83Å; F94-F260 HydrophobicContact CE1-CE2 3.83Å; F94-F260 AromaticContact CE1-CZ 3.61Å; F94-F260 HydrophobicContact CE1-CZ 3.61Å; F94-F260 HydrophobicContact CZ-CE2 4.44Å; F94-F260 AromaticContact CZ-CZ 3.87Å; F94-F260 HydrophobicContact CZ-CZ 3.87Å; Y246-F260 HydrophobicContact CD1-CD2 4.22Å; Y246-F260 AromaticContact CE1-CD2 3.43Å; Y246-F260 HydrophobicContact CE1-CD2 3.43Å; Y246-F260 VanDerWaalsContact CE1-CD2 3.43Å; Y246-F260 AromaticContact CE1-CE2 3.5Å; Y246-F260 HydrophobicContact CE1-CE2 3.5Å; Y246-F260 AromaticContact CZ-CD2 3.99Å; Y246-F260 AromaticContact CZ-CE2 3.63Å; Y246-F260 VanDerWaalsContact OH-CE2 3.24Å; Y246-F260 WeakPolarHBondContact OH-CE2 3.31Å; K258-F260 PolarHBondContact O-N 2.93Å
261	L	84.7	Confident	72.7	Confident	49 Å²	49	75.9 Å²	75.9	26%	0.257	42%	0.418	S	S	.	.	S	Bend	trans	-120.2	81.5	171.6	-68.8	95.2	0	0	0	110.4	Y259 Y263 G264 I265 L268	Y259-L261 PolarHBondContact O-N 3.28Å; L261-Y263 PolarHBondContact O-N 3.47Å; L261-G264 PolarHBondContact O-N 3.29Å; L261-G264 VanDerWaalsContact O-N 3.09Å; L261-I265 HydrophobicContact CD2-CG1 4.37Å; L261-L268 HydrophobicContact CD2-CB 4.23Å; L261-L268 HydrophobicContact CD2-CD2 4.3Å
262	P	81.4	Confident	74.5	Confident	37 Å²	37	71.7 Å²	71.7	24%	0.24	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-33.6	179.2	21.8	-32	0	0	0	113.1	T89 W327	T89-P262 VanDerWaalsContact O-CD 3.28Å; T89-P262 WeakPolarHBondContact O-CD 3.36Å; T89-P262 WeakPolarHBondContact O-CG 3.24Å; P262-W327 HydrophobicContact CB-CH2 4.19Å; P262-W327 HydrophobicContact CB-CZ2 4.3Å; P262-W327 HydrophobicContact CG-CH2 4.23Å; P262-W327 HydrophobicContact CG-CZ2 4.29Å
263	Y	84.1	Confident	76.3	Confident	101 Å²	101	68.7 Å²	68.7	40%	0.396	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.8	178.6	-59.9	-82.7	0	0	0	113.4	S86 T87 Q88 L261 G267 W327	S86-Y263 PolarHBondContact O-OH 2.85Å; T87-Y263 WeakPolarHBondContact O-CE1 3.32Å; T87-Y263 VanDerWaalsContact O-CZ 3.29Å; Q88-Y263 WeakPolarHBondContact O-CB 3.42Å; Q88-Y263 WeakPolarHBondContact O-CD2 3.31Å; L261-Y263 PolarHBondContact O-N 3.47Å; Y263-G267 PolarHBondContact O-N 3.18Å; Y263-W327 HydrophobicContact CE2-CZ3 4.23Å
264	G	85	Confident	78	Confident	31 Å²	31	66.3 Å²	66.3	32%	0.32	35%	0.347	S	S	.	.	H	α-helix	trans	65.4	-172.2	-177.3	0	0	0	0	0	114.7	L261 L266 G267 L268	L261-G264 PolarHBondContact O-N 3.29Å; L261-G264 VanDerWaalsContact O-N 3.09Å; G264-L266 VanDerWaalsContact C-N 3.29Å; G264-L266 PolarHBondContact O-N 2.86Å; G264-G267 PolarHBondContact O-N 3.28Å; G264-L268 PolarHBondContact O-N 3.35Å
265	I	85.7	Confident	80.1	Confident	123 Å²	123	59.4 Å²	59.4	63%	0.631	30%	0.304	S	S	*	.	H	α-helix	trans	-66.3	-32.7	-177.6	-62.3	167.6	0	0	0	111.4	L261 G267 L268 I269	L261-I265 HydrophobicContact CD2-CG1 4.37Å; I265-G267 VanDerWaalsContact C-N 3.34Å; I265-G267 PolarHBondContact O-N 3.41Å; I265-L268 WeakPolarHBondContact O-CB 3.3Å; I265-L268 PolarHBondContact O-N 3.47Å; I265-I269 HydrophobicContact CG2-CD1 4.11Å; I265-I269 WeakPolarHBondContact O-CG1 3.22Å; I265-I269 PolarHBondContact O-N 3.1Å
266	L	84.3	Confident	82.1	Confident	107 Å²	107	56.6 Å²	56.6	56%	0.56	29%	0.287	S	S	*	.	H	α-helix	trans	-64.8	-39.5	177	-172.8	64.4	0	0	0	111.5	G264 L268 I269 S270	G264-L266 VanDerWaalsContact C-N 3.29Å; G264-L266 PolarHBondContact O-N 2.86Å; L266-L268 VanDerWaalsContact C-N 3.34Å; L266-I269 PolarHBondContact O-N 3.17Å; L266-S270 PolarHBondContact O-N 3.34Å; L266-S270 PolarHBondContact O-OG 3.36Å
267	G	87.4	Confident	84	Confident	9 Å²	9	49.2 Å²	49.2	9%	0.093	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-37.3	172.2	0	0	0	0	0	113.3	Q88 Y263 G264 I265 S270 A271	Q88-G267 CarbonylContact O-C 3.6Å; Q88-G267 WeakPolarHBondContact O-CA 3.44Å; Y263-G267 PolarHBondContact O-N 3.18Å; G264-G267 PolarHBondContact O-N 3.28Å; I265-G267 VanDerWaalsContact C-N 3.34Å; I265-G267 PolarHBondContact O-N 3.41Å; G267-S270 WeakPolarHBondContact CA-OG 3.3Å; G267-S270 PolarHBondContact O-N 2.96Å; G267-S270 PolarHBondContact O-OG 3.28Å; G267-A271 VanDerWaalsContact O-CB 3.23Å; G267-A271 WeakPolarHBondContact O-CB 3.31Å; G267-A271 PolarHBondContact O-N 2.75Å
268	L	91.2	Very high	85.8	Confident	17 Å²	17	44 Å²	44	9%	0.089	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-41.1	174.4	-178.7	70.1	0	0	0	112.5	T89 L95 A96 I99 L261 G264 I265 L266 T272	T89-L268 HydrophobicContact CG2-CD1 4.06Å; L95-L268 HydrophobicContact CB-CD1 4.03Å; L95-L268 HydrophobicContact CD2-CD1 4.45Å; L95-L268 HydrophobicContact CD2-CD2 3.84Å; L95-L268 HydrophobicContact CG-CD1 4.5Å; L95-L268 HydrophobicContact CG-CD2 4.44Å; A96-L268 HydrophobicContact CB-CD1 4.03Å; I99-L268 HydrophobicContact CD1-CD2 4.4Å; L261-L268 HydrophobicContact CD2-CB 4.23Å; L261-L268 HydrophobicContact CD2-CD2 4.3Å; G264-L268 PolarHBondContact O-N 3.35Å; I265-L268 WeakPolarHBondContact O-CB 3.3Å; I265-L268 PolarHBondContact O-N 3.47Å; L266-L268 VanDerWaalsContact C-N 3.34Å; L268-T272 PolarHBondContact O-N 3.05Å; L268-T272 VanDerWaalsContact O-N 3.1Å; L268-T272 PolarHBondContact O-OG1 3.39Å
269	I	89.2	Confident	87.5	Confident	56 Å²	56	36 Å²	36	29%	0.287	19%	0.186	S	C	.	.	H	α-helix	trans	-67.8	-43.7	178.1	-65.1	168.2	0	0	0	110.4	I265 L266 A271 T272 L598 Q602	I265-I269 HydrophobicContact CG2-CD1 4.11Å; I265-I269 WeakPolarHBondContact O-CG1 3.22Å; I265-I269 PolarHBondContact O-N 3.1Å; L266-I269 PolarHBondContact O-N 3.17Å; I269-A271 VanDerWaalsContact C-N 3.34Å; I269-A271 PolarHBondContact O-N 3.47Å; I269-T272 VanDerWaalsContact O-CB 3.3Å; I269-T272 WeakPolarHBondContact O-CB 3.39Å; I269-T272 PolarHBondContact O-N 2.92Å; I269-L598 HydrophobicContact CG2-CD1 4.44Å; I269-L598 HydrophobicContact CG2-CD2 4.28Å; I269-L598 HydrophobicContact CG2-CG 4.32Å; I269-Q602 HydrophobicContact CG2-CG 4.08Å
270	S	89.2	Confident	88.6	Confident	18 Å²	18	32 Å²	32	13%	0.126	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-36.8	176.9	65.4	0	0	0	0	112.6	Q88 L266 G267 T272 T273 I274	Q88-S270 VanDerWaalsContact OE1-C 3.23Å; Q88-S270 PolarHBondContact OE1-O 2.91Å; L266-S270 PolarHBondContact O-N 3.34Å; L266-S270 PolarHBondContact O-OG 3.36Å; G267-S270 WeakPolarHBondContact CA-OG 3.3Å; G267-S270 PolarHBondContact O-N 2.96Å; G267-S270 PolarHBondContact O-OG 3.28Å; S270-T272 VanDerWaalsContact C-N 3.28Å; S270-T272 PolarHBondContact O-N 2.9Å; S270-T273 WeakPolarHBondContact O-CB 3.2Å; S270-T273 PolarHBondContact O-N 3.47Å; S270-T273 VanDerWaalsContact O-N 3.15Å; S270-I274 PolarHBondContact O-N 3.22Å
271	A	92	Very high	88.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-34.3	172	0	0	0	0	0	113.6	V84 Q88 T89 A96 G267 I269 T273 I274 S275	V84-A271 HydrophobicContact CG1-CB 3.81Å; V84-A271 HydrophobicContact CG2-CB 4.47Å; Q88-A271 HydrophobicContact CB-CB 3.97Å; T89-A271 HydrophobicContact CG2-CB 3.23Å; A96-A271 HydrophobicContact CB-CB 3.83Å; G267-A271 VanDerWaalsContact O-CB 3.23Å; G267-A271 WeakPolarHBondContact O-CB 3.31Å; G267-A271 PolarHBondContact O-N 2.75Å; I269-A271 VanDerWaalsContact C-N 3.34Å; I269-A271 PolarHBondContact O-N 3.47Å; A271-T273 PolarHBondContact O-N 3.22Å; A271-I274 PolarHBondContact O-N 2.94Å; A271-I274 VanDerWaalsContact O-N 3.13Å; A271-S275 WeakPolarHBondContact O-CB 3.48Å; A271-S275 PolarHBondContact O-N 3.45Å; A271-S275 PolarHBondContact O-OG 3.21Å; A271-S275 VanDerWaalsContact O-OG 3.13Å
272	T	93.9	Very high	89.1	Confident	4 Å²	4	27.4 Å²	27.4	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-37.1	176.5	-56.1	0	0	0	0	110.8	I99 A100 L268 I269 S270 F276 L599	I99-T272 HydrophobicContact CB-CG2 3.94Å; I99-T272 HydrophobicContact CG2-CG2 3.6Å; A100-T272 HydrophobicContact CB-CG2 4.12Å; L268-T272 PolarHBondContact O-N 3.05Å; L268-T272 VanDerWaalsContact O-N 3.1Å; L268-T272 PolarHBondContact O-OG1 3.39Å; I269-T272 VanDerWaalsContact O-CB 3.3Å; I269-T272 WeakPolarHBondContact O-CB 3.39Å; I269-T272 PolarHBondContact O-N 2.92Å; S270-T272 VanDerWaalsContact C-N 3.28Å; S270-T272 PolarHBondContact O-N 2.9Å; T272-F276 WeakPolarHBondContact O-CB 3.34Å; T272-F276 PolarHBondContact O-N 3.3Å; T272-L599 HydrophobicContact CG2-CD2 3.75Å
273	T	91.7	Very high	89.3	Confident	4 Å²	4	26.6 Å²	26.6	3%	0.025	14%	0.144	C	C	.	.	H	α-helix	trans	-67.1	-41.9	176.5	-59.6	0	0	0	0	112.6	S270 A271 F276 I438 L599 Q602 I603	S270-T273 WeakPolarHBondContact O-CB 3.2Å; S270-T273 PolarHBondContact O-N 3.47Å; S270-T273 VanDerWaalsContact O-N 3.15Å; A271-T273 PolarHBondContact O-N 3.22Å; T273-F276 WeakPolarHBondContact O-CB 3.42Å; T273-F276 PolarHBondContact O-N 2.9Å; T273-I438 HydrophobicContact CG2-CD1 4.44Å; T273-L599 HydrophobicContact CG2-CB 4.42Å; T273-L599 VanDerWaalsContact CG2-O 3.29Å; T273-L599 WeakPolarHBondContact CG2-O 3.37Å; T273-L599 VanDerWaalsContact OG1-CA 3.3Å; T273-L599 WeakPolarHBondContact OG1-CA 3.49Å; T273-L599 WeakPolarHBondContact OG1-CD2 3.38Å; T273-L599 PolarHBondContact OG1-O 2.7Å; T273-Q602 WeakPolarHBondContact OG1-CB 3.38Å; T273-I603 HydrophobicContact CG2-CD1 4.15Å; T273-I603 HydrophobicContact CG2-CG1 3.46Å; T273-I603 VanDerWaalsContact CG2-CG1 3.46Å
274	I	90.4	Very high	89.3	Confident	28 Å²	28	22.5 Å²	22.5	14%	0.144	13%	0.131	C	C	.	.	H	α-helix	trans	-70.4	-42.5	176.5	-58.3	-170.4	0	0	0	110.6	V84 Q88 S270 A271 F276 N277	V84-I274 HydrophobicContact CG2-CB 3.71Å; V84-I274 HydrophobicContact CG2-CG2 3.64Å; Q88-I274 VanDerWaalsContact CD-CD1 3.5Å; Q88-I274 VanDerWaalsContact NE2-CD1 3.29Å; Q88-I274 VanDerWaalsContact OE1-CD1 3.26Å; S270-I274 PolarHBondContact O-N 3.22Å; A271-I274 PolarHBondContact O-N 2.94Å; A271-I274 VanDerWaalsContact O-N 3.13Å; I274-F276 PolarHBondContact O-N 3.21Å; I274-N277 WeakPolarHBondContact O-CB 3.37Å; I274-N277 PolarHBondContact O-N 3Å
275	S	92.7	Very high	89.4	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.2	-33	174.3	-66.8	0	0	0	0	112.2	V84 A271 N277 A278	V84-S275 WeakPolarHBondContact CG2-OG 3.32Å; A271-S275 WeakPolarHBondContact O-CB 3.48Å; A271-S275 PolarHBondContact O-N 3.45Å; A271-S275 PolarHBondContact O-OG 3.21Å; A271-S275 VanDerWaalsContact O-OG 3.13Å; S275-N277 PolarHBondContact O-N 3.37Å; S275-N277 VanDerWaalsContact O-N 3.1Å; S275-A278 WeakPolarHBondContact O-CB 3.49Å; S275-A278 PolarHBondContact O-N 2.87Å
276	F	92.8	Very high	89.4	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-58.9	-21.9	175	-166.8	-101	0	0	0	112.7	V103 A104 N107 T272 T273 I274 A278 F279 V280 I438 Y441 L599	V103-F276 HydrophobicContact CB-CD2 4.47Å; V103-F276 HydrophobicContact CB-CE2 4.24Å; V103-F276 HydrophobicContact CG1-CD2 4.35Å; V103-F276 HydrophobicContact CG1-CE2 3.87Å; A104-F276 HydrophobicContact CB-CE2 4.04Å; N107-F276 WeakPolarHBondContact ND2-CZ 3.5Å; T272-F276 WeakPolarHBondContact O-CB 3.34Å; T272-F276 PolarHBondContact O-N 3.3Å; T273-F276 WeakPolarHBondContact O-CB 3.42Å; T273-F276 PolarHBondContact O-N 2.9Å; I274-F276 PolarHBondContact O-N 3.21Å; F276-A278 PolarHBondContact O-N 2.69Å; F276-F279 CarbonylContact O-C 3.54Å; F276-F279 WeakPolarHBondContact O-CA 3.29Å; F276-F279 PolarHBondContact O-N 2.95Å; F276-V280 PolarHBondContact O-N 3.46Å; F276-I438 HydrophobicContact CD1-CD1 4.13Å; F276-I438 HydrophobicContact CD1-CG1 4Å; F276-I438 HydrophobicContact CE1-CG1 3.88Å; F276-Y441 AromaticContact CE1-CD2 3.93Å; F276-Y441 HydrophobicContact CE1-CD2 3.93Å; F276-Y441 AromaticContact CE1-CE2 3.68Å; F276-Y441 HydrophobicContact CE1-CE2 3.68Å; F276-Y441 AromaticContact CZ-CD2 3.75Å; F276-Y441 HydrophobicContact CZ-CD2 3.75Å; F276-Y441 AromaticContact CZ-CE2 3.49Å; F276-Y441 HydrophobicContact CZ-CE2 3.49Å; F276-Y441 VanDerWaalsContact CZ-CE2 3.49Å; F276-L599 HydrophobicContact CB-CD1 4.26Å; F276-L599 HydrophobicContact CD1-CD1 4.39Å; F276-L599 HydrophobicContact CD2-CD1 3.95Å; F276-L599 HydrophobicContact CE2-CD1 4.39Å; F276-L599 HydrophobicContact CG-CD1 3.94Å
277	N	88.6	Confident	89.1	Confident	5 Å²	5	12.4 Å²	12.4	3%	0.027	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-56.6	-31.9	172.8	-169.5	61.7	0	0	0	112.9	G76 I274 S275 F279 V280 A430	G76-N277 VanDerWaalsContact CA-ND2 3.34Å; G76-N277 WeakPolarHBondContact CA-ND2 3.47Å; G76-N277 PolarHBondContact O-ND2 3.25Å; I274-N277 WeakPolarHBondContact O-CB 3.37Å; I274-N277 PolarHBondContact O-N 3Å; S275-N277 PolarHBondContact O-N 3.37Å; S275-N277 VanDerWaalsContact O-N 3.1Å; N277-F279 PolarHBondContact O-N 3.42Å; N277-V280 PolarHBondContact O-N 2.95Å; N277-A430 VanDerWaalsContact ND2-CB 3.34Å; N277-A430 WeakPolarHBondContact ND2-CB 3.48Å; N277-A430 PolarHBondContact OD1-O 3.4Å
278	A	91.3	Very high	88.6	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.008	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-64.8	-18.8	174.4	0	0	0	0	0	113.3	I77 Y97 S275 F276	I77-A278 HydrophobicContact CG2-CB 4.08Å; Y97-A278 HydrophobicContact CE1-CB 4.04Å; S275-A278 WeakPolarHBondContact O-CB 3.49Å; S275-A278 PolarHBondContact O-N 2.87Å; F276-A278 PolarHBondContact O-N 2.69Å
279	F	92.7	Very high	88.1	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-116.3	9.1	-176.4	-53.5	-76.9	0	0	0	113.6	M72 Y97 A100 T101 A104 F276 N277 R281 S282 I307 V310	M72-F279 HydrophobicContact SD-CD1 4.47Å; Y97-F279 HydrophobicContact CD1-CE2 4.24Å; A100-F279 HydrophobicContact CB-CD2 4.11Å; A100-F279 HydrophobicContact CB-CE2 3.95Å; T101-F279 WeakPolarHBondContact OG1-CZ 3.41Å; A104-F279 HydrophobicContact CB-CB 3.55Å; A104-F279 HydrophobicContact CB-CD1 4.13Å; A104-F279 HydrophobicContact CB-CD2 4.37Å; A104-F279 HydrophobicContact CB-CG 3.77Å; F276-F279 CarbonylContact O-C 3.54Å; F276-F279 WeakPolarHBondContact O-CA 3.29Å; F276-F279 PolarHBondContact O-N 2.95Å; N277-F279 PolarHBondContact O-N 3.42Å; F279-R281 PolarHBondContact O-N 3.25Å; F279-R281 VanDerWaalsContact O-N 3.1Å; F279-S282 WeakPolarHBondContact O-CB 3.46Å; F279-S282 PolarHBondContact O-N 2.87Å; F279-S282 PolarHBondContact O-OG 3.21Å; F279-I307 HydrophobicContact CD1-CG2 4.11Å; F279-I307 HydrophobicContact CE1-CG2 4.24Å; F279-V310 HydrophobicContact CD1-CG1 4.25Å; F279-V310 HydrophobicContact CE1-CB 4.13Å; F279-V310 HydrophobicContact CE1-CG1 3.75Å; F279-V310 HydrophobicContact CZ-CG1 4.46Å
280	V	89.4	Confident	87.5	Confident	10 Å²	10	15.8 Å²	15.8	6%	0.061	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-35.6	177.8	155	0	0	0	0	111.7	F276 N277 L433 T437 Y441	F276-V280 PolarHBondContact O-N 3.46Å; N277-V280 PolarHBondContact O-N 2.95Å; V280-L433 HydrophobicContact CG1-CD1 4.11Å; V280-L433 HydrophobicContact CG1-CD2 4.09Å; V280-L433 HydrophobicContact CG1-CG 3.94Å; V280-L433 HydrophobicContact CG2-CG 4.44Å; V280-T437 HydrophobicContact CB-CG2 4.41Å; V280-T437 HydrophobicContact CG1-CG2 4.01Å; V280-T437 WeakPolarHBondContact CG1-OG1 3.5Å; V280-T437 HydrophobicContact CG2-CG2 4.43Å; V280-T437 WeakPolarHBondContact O-CG2 3.36Å; V280-Y441 PolarHBondContact O-OH 3.49Å
281	R	88.5	Confident	87	Confident	24 Å²	24	16.8 Å²	16.8	9%	0.091	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	23.2	179.9	-52.6	-165.8	-148	157.7	1.4	113.7	C71 D74 S151 F279 S283 A284	C71-R281 HydrophobicContact CB-CB 4.19Å; C71-R281 WeakPolarHBondContact O-CD 3.38Å; D74-R281 IonicContact OD2-CZ 3.16Å; D74-R281 IonicContact OD2-NE 3.95Å; D74-R281 PolarHBondContact OD2-NE 3.04Å; D74-R281 IonicContact OD2-NH1 2.8Å; D74-R281 PolarHBondContact OD2-NH1 2.89Å; D74-R281 IonicContact OD2-NH2 2.81Å; D74-R281 PolarHBondContact OD2-NH2 3.22Å; S151-R281 VanDerWaalsContact CB-NH2 3.32Å; F279-R281 PolarHBondContact O-N 3.25Å; F279-R281 VanDerWaalsContact O-N 3.1Å; R281-S283 PolarHBondContact O-N 3.19Å; R281-A284 HydrophobicContact CB-CB 4.29Å; R281-A284 VanDerWaalsContact O-CB 3.24Å; R281-A284 WeakPolarHBondContact O-CB 3.36Å; R281-A284 PolarHBondContact O-N 2.89Å
282	S	89.9	Confident	86.6	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.7	177.8	58	0	0	0	0	113.7	F279 Y441	F279-S282 WeakPolarHBondContact O-CB 3.46Å; F279-S282 PolarHBondContact O-N 2.87Å; F279-S282 PolarHBondContact O-OG 3.21Å; S282-Y441 PolarHBondContact OG-OH 3.01Å; S282-Y441 VanDerWaalsContact OG-OH 3.14Å
283	S	86	Confident	86.1	Confident	20 Å²	20	22.3 Å²	22.3	14%	0.14	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.1	176.7	54.2	0	0	0	0	114.5	R281 P285 S286 S287 Y441	R281-S283 PolarHBondContact O-N 3.19Å; S283-P285 VanDerWaalsContact C-CD 3.41Å; S283-S286 WeakPolarHBondContact O-CB 3.28Å; S283-S286 PolarHBondContact O-N 3.29Å; S283-S286 VanDerWaalsContact O-N 3.07Å; S283-S287 PolarHBondContact O-N 3.14Å; S283-Y441 PolarHBondContact OG-OH 3.38Å
284	A	84.3	Confident	85.8	Confident	16 Å²	16	30.9 Å²	30.9	13%	0.132	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-55.9	-39.8	-177.3	0	0	0	0	0	114.4	Y67 C71 R281 S286 S287	Y67-A284 HydrophobicContact CE1-CB 4.46Å; C71-A284 HydrophobicContact CB-CB 3.79Å; R281-A284 HydrophobicContact CB-CB 4.29Å; R281-A284 VanDerWaalsContact O-CB 3.24Å; R281-A284 WeakPolarHBondContact O-CB 3.36Å; R281-A284 PolarHBondContact O-N 2.89Å; A284-S286 PolarHBondContact O-N 2.9Å; A284-S287 WeakPolarHBondContact O-CB 3.29Å; A284-S287 PolarHBondContact O-N 3.48Å; A284-S287 VanDerWaalsContact O-N 3.12Å; A284-S287 PolarHBondContact O-OG 3.04Å
285	P	86	Confident	85.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-61.5	-34.2	177.8	-19.5	30.9	0	0	0	113	L64 S283 S287 R288 N303	L64-P285 HydrophobicContact CD1-CB 3.65Å; L64-P285 HydrophobicContact CD2-CB 4.29Å; L64-P285 HydrophobicContact CG-CB 3.72Å; S283-P285 VanDerWaalsContact C-CD 3.41Å; P285-S287 VanDerWaalsContact C-N 3.27Å; P285-S287 PolarHBondContact O-N 3.01Å; P285-R288 PolarHBondContact O-N 2.61Å; P285-R288 VanDerWaalsContact O-N 3.15Å; P285-N303 WeakPolarHBondContact CB-OD1 3.41Å; P285-N303 WeakPolarHBondContact CG-OD1 3.3Å
286	S	85.4	Confident	85.2	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.021	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-69.3	-23	177.9	-61.6	0	0	0	0	113.7	Y111 S283 A284 R288 A289 N303	Y111-S286 VanDerWaalsContact CE1-CB 3.41Å; S283-S286 WeakPolarHBondContact O-CB 3.28Å; S283-S286 PolarHBondContact O-N 3.29Å; S283-S286 VanDerWaalsContact O-N 3.07Å; A284-S286 PolarHBondContact O-N 2.9Å; S286-R288 PolarHBondContact O-N 3.43Å; S286-A289 WeakPolarHBondContact O-CB 3.46Å; S286-A289 PolarHBondContact O-N 3.28Å; S286-N303 PolarHBondContact OG-ND2 3.43Å; S286-N303 PolarHBondContact OG-OD1 3.47Å
287	S	78.2	Confident	85.1	Confident	46 Å²	46	40.3 Å²	40.3	32%	0.322	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-64.9	-19.5	172.3	75.5	0	0	0	0	113.3	S283 A284 P285	S283-S287 PolarHBondContact O-N 3.14Å; A284-S287 WeakPolarHBondContact O-CB 3.29Å; A284-S287 PolarHBondContact O-N 3.48Å; A284-S287 VanDerWaalsContact O-N 3.12Å; A284-S287 PolarHBondContact O-OG 3.04Å; P285-S287 VanDerWaalsContact C-N 3.27Å; P285-S287 PolarHBondContact O-N 3.01Å
288	R	77.4	Confident	85.2	Confident	69 Å²	69	40.3 Å²	40.3	26%	0.26	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-100.1	19.4	177.5	-56.7	-164.2	81.5	90.2	-4.3	113.1	L59 Y67 P285 S286 Q290 E291 V292	L59-R288 HydrophobicContact CD1-CB 4.04Å; Y67-R288 HydrophobicContact CE1-CG 3.94Å; P285-R288 PolarHBondContact O-N 2.61Å; P285-R288 VanDerWaalsContact O-N 3.15Å; S286-R288 PolarHBondContact O-N 3.43Å; R288-Q290 PolarHBondContact O-N 3.42Å; R288-E291 IonicContact CZ-OE1 3.68Å; R288-E291 VanDerWaalsContact CZ-OE1 3.27Å; R288-E291 IonicContact CZ-OE2 2.64Å; R288-E291 IonicContact NE-OE1 3.56Å; R288-E291 IonicContact NE-OE2 2.65Å; R288-E291 PolarHBondContact NE-OE2 3.37Å; R288-E291 IonicContact NH2-OE1 2.62Å; R288-E291 PolarHBondContact NH2-OE1 3.36Å; R288-E291 IonicContact NH2-OE2 3.58Å; R288-E291 PolarHBondContact NH2-OE2 2.78Å; R288-E291 PolarHBondContact O-N 2.98Å; R288-V292 WeakPolarHBondContact O-CG2 3.25Å
289	A	80.1	Confident	85.2	Confident	17 Å²	17	40.2 Å²	40.2	14%	0.14	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-47.8	-33	-179.3	0	0	0	0	0	114	A115 S286 E291 V292 L299	A115-A289 HydrophobicContact CB-CB 4.38Å; S286-A289 WeakPolarHBondContact O-CB 3.46Å; S286-A289 PolarHBondContact O-N 3.28Å; A289-E291 PolarHBondContact O-N 2.96Å; A289-V292 PolarHBondContact O-N 3.41Å; A289-L299 HydrophobicContact CB-CD1 3.64Å; A289-L299 HydrophobicContact CB-CD2 4.32Å
290	Q	76.7	Confident	85.2	Confident	66 Å²	66	40.8 Å²	40.8	31%	0.308	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-67.8	-29.5	-179.3	-65.4	166.6	2.2	0	0	114.1	L55 K120 V122 R288	L55-Q290 HydrophobicContact CD1-CB 4.4Å; K120-Q290 PolarHBondContact O-NE2 2.88Å; V122-Q290 PolarHBondContact O-NE2 3.48Å; R288-Q290 PolarHBondContact O-N 3.42Å
291	E	78.7	Confident	85.4	Confident	39 Å²	39	42.5 Å²	42.5	18%	0.182	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-92	-1.2	-177.7	-65.3	173.3	-159.2	0	0	112.4	L55 K57 T58 L59 R288 A289	L55-E291 HydrophobicContact CD2-CG 4.15Å; K57-E291 CarbonylContact C-O 3.53Å; K57-E291 WeakPolarHBondContact CA-O 3.4Å; T58-E291 PolarHBondContact N-O 2.9Å; L59-E291 WeakPolarHBondContact CB-O 3.24Å; L59-E291 HydrophobicContact CD1-CB 3.69Å; L59-E291 HydrophobicContact CG-CB 3.99Å; L59-E291 PolarHBondContact N-O 3.15Å; R288-E291 IonicContact CZ-OE1 3.68Å; R288-E291 VanDerWaalsContact CZ-OE1 3.27Å; R288-E291 IonicContact CZ-OE2 2.64Å; R288-E291 IonicContact NE-OE1 3.56Å; R288-E291 IonicContact NE-OE2 2.65Å; R288-E291 PolarHBondContact NE-OE2 3.37Å; R288-E291 IonicContact NH2-OE1 2.62Å; R288-E291 PolarHBondContact NH2-OE1 3.36Å; R288-E291 IonicContact NH2-OE2 3.58Å; R288-E291 PolarHBondContact NH2-OE2 2.78Å; R288-E291 PolarHBondContact O-N 2.98Å; A289-E291 PolarHBondContact O-N 2.96Å
292	V	83.8	Confident	85.6	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-92.5	133	-172.3	177.8	0	0	0	0	110.9	L59 L64 R288 A289 R294 L299	L59-V292 HydrophobicContact CB-CG2 4.18Å; L59-V292 HydrophobicContact CD1-CG2 4.46Å; L64-V292 HydrophobicContact CD1-CG2 4.28Å; L64-V292 HydrophobicContact CD2-CG2 3.93Å; R288-V292 WeakPolarHBondContact O-CG2 3.25Å; A289-V292 PolarHBondContact O-N 3.41Å; V292-R294 PolarHBondContact O-N 3.43Å; V292-L299 HydrophobicContact CG2-CD2 4.33Å
293	K	83.2	Confident	85.8	Confident	119 Å²	119	41.3 Å²	41.3	52%	0.517	20%	0.199	S	C	.	.	S	Bend	trans	-59.3	-44.8	179.9	-69.4	-178.6	-179.6	-174.8	0	113.5	K57 L59	K57-K293 HydrophobicContact CB-CG 4.23Å; K57-K293 WeakPolarHBondContact O-CE 3.47Å; K57-K293 VanDerWaalsContact O-CG 3.26Å; K57-K293 WeakPolarHBondContact O-CG 3.3Å; L59-K293 PolarHBondContact O-N 3.36Å; L59-K293 VanDerWaalsContact O-N 3.16Å
294	R	84.8	Confident	86.3	Confident	184 Å²	184	42 Å²	42	69%	0.694	20%	0.203	S	C	*	.	S	Bend	trans	-132	79.1	-178.9	-66.9	-175.1	-178.7	175.8	0.1	110.8	V292 T296 Y297 S298	V292-R294 PolarHBondContact O-N 3.43Å; R294-T296 VanDerWaalsContact C-N 3.27Å; R294-T296 PolarHBondContact O-N 3.21Å; R294-Y297 PolarHBondContact O-N 3.29Å; R294-S298 WeakPolarHBondContact O-CB 3.28Å; R294-S298 PolarHBondContact O-N 2.9Å; R294-S298 PolarHBondContact O-OG 3.34Å; R294-S298 VanDerWaalsContact O-OG 3.11Å
295	P	84.4	Confident	86.8	Confident	36 Å²	36	43.6 Å²	43.6	23%	0.234	21%	0.211	C	C	.	.	H	α-helix	trans	-59.5	-36.2	-171.5	22	-32.4	0	0	0	113.1	Y297 L299	P295-Y297 VanDerWaalsContact C-N 3.32Å; P295-Y297 PolarHBondContact O-N 2.78Å; P295-L299 HydrophobicContact CB-CD1 3.98Å; P295-L299 HydrophobicContact CB-CG 4.24Å; P295-L299 WeakPolarHBondContact O-CB 3.42Å; P295-L299 WeakPolarHBondContact O-CG 3.33Å; P295-L299 PolarHBondContact O-N 3.42Å
296	T	87.1	Confident	87.2	Confident	46 Å²	46	43.6 Å²	43.6	28%	0.282	21%	0.211	S	C	.	.	H	α-helix	trans	-69	-28.2	-172.2	59.3	0	0	0	0	113.7	R294 P300 N578 L579	R294-T296 VanDerWaalsContact C-N 3.27Å; R294-T296 PolarHBondContact O-N 3.21Å; T296-P300 WeakPolarHBondContact O-CG 3.49Å; T296-N578 WeakPolarHBondContact CB-O 3.34Å; T296-N578 WeakPolarHBondContact CG2-O 3.39Å; T296-L579 HydrophobicContact CG2-CD2 4.1Å
297	Y	90	Very high	87.7	Confident	145 Å²	145	43.5 Å²	43.5	57%	0.569	21%	0.21	S	C	*	.	H	α-helix	trans	-98.8	-46.5	173	177	-97.5	0	0	0	111.7	R294 P295 L299 P300 V301	R294-Y297 PolarHBondContact O-N 3.29Å; P295-Y297 VanDerWaalsContact C-N 3.32Å; P295-Y297 PolarHBondContact O-N 2.78Å; Y297-L299 PolarHBondContact O-N 3.4Å; Y297-P300 WeakPolarHBondContact O-CD 3.33Å; Y297-P300 WeakPolarHBondContact O-CG 3.29Å; Y297-V301 HydrophobicContact CD2-CG2 4.27Å; Y297-V301 HydrophobicContact CE1-CG2 4.28Å; Y297-V301 HydrophobicContact CE2-CG2 3.95Å; Y297-V301 WeakPolarHBondContact O-CB 3.18Å; Y297-V301 VanDerWaalsContact O-CG2 3.26Å; Y297-V301 WeakPolarHBondContact O-CG2 3.41Å; Y297-V301 PolarHBondContact O-N 3.4Å
298	S	91.7	Very high	88.6	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-69.5	-34.2	-171.3	-63.2	0	0	0	0	113.3	T61 R294 A302	T61-S298 WeakPolarHBondContact OG1-CB 3.45Å; T61-S298 PolarHBondContact OG1-OG 3.49Å; R294-S298 WeakPolarHBondContact O-CB 3.28Å; R294-S298 PolarHBondContact O-N 2.9Å; R294-S298 PolarHBondContact O-OG 3.34Å; R294-S298 VanDerWaalsContact O-OG 3.11Å; S298-A302 WeakPolarHBondContact O-CB 3.49Å; S298-A302 PolarHBondContact O-N 3.47Å
299	L	90.4	Very high	89.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.8	-57.7	-178.9	-67.2	-179.8	0	0	0	113.1	L64 A115 A289 V292 P295 Y297 V301 A302 N303	L64-L299 HydrophobicContact CD2-CD2 3.81Å; A115-L299 HydrophobicContact CB-CD1 4.02Å; A289-L299 HydrophobicContact CB-CD1 3.64Å; A289-L299 HydrophobicContact CB-CD2 4.32Å; V292-L299 HydrophobicContact CG2-CD2 4.33Å; P295-L299 HydrophobicContact CB-CD1 3.98Å; P295-L299 HydrophobicContact CB-CG 4.24Å; P295-L299 WeakPolarHBondContact O-CB 3.42Å; P295-L299 WeakPolarHBondContact O-CG 3.33Å; P295-L299 PolarHBondContact O-N 3.42Å; Y297-L299 PolarHBondContact O-N 3.4Å; L299-V301 VanDerWaalsContact C-N 3.34Å; L299-V301 PolarHBondContact O-N 3.33Å; L299-A302 PolarHBondContact O-N 3.25Å; L299-N303 WeakPolarHBondContact O-CB 3.23Å; L299-N303 PolarHBondContact O-N 2.84Å
300	P	92.4	Very high	90.1	Very high	12 Å²	12	44.5 Å²	44.5	8%	0.078	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-42.3	-178.8	24.6	-35.1	0	0	0	111.5	T296 Y297 A302 N303 V304 Y580	T296-P300 WeakPolarHBondContact O-CG 3.49Å; Y297-P300 WeakPolarHBondContact O-CD 3.33Å; Y297-P300 WeakPolarHBondContact O-CG 3.29Å; P300-A302 PolarHBondContact O-N 3.16Å; P300-N303 PolarHBondContact O-N 3.45Å; P300-V304 WeakPolarHBondContact O-CB 3.3Å; P300-V304 VanDerWaalsContact O-CG2 3.3Å; P300-V304 WeakPolarHBondContact O-CG2 3.42Å; P300-V304 PolarHBondContact O-N 3.4Å; P300-Y580 HydrophobicContact CB-CD2 4.22Å; P300-Y580 HydrophobicContact CB-CE1 4.22Å; P300-Y580 HydrophobicContact CB-CE2 3.81Å; P300-Y580 HydrophobicContact CG-CD2 3.73Å; P300-Y580 HydrophobicContact CG-CE2 3.79Å; P300-Y580 HydrophobicContact CG-CG 4.12Å
301	V	93.8	Very high	91	Very high	45 Å²	45	41.5 Å²	41.5	27%	0.273	20%	0.2	S	C	.	.	H	α-helix	trans	-63	-44.3	178.8	174.8	0	0	0	0	111	T61 Y297 L299 T305	T61-V301 HydrophobicContact CG2-CB 4.46Å; T61-V301 HydrophobicContact CG2-CG1 4.15Å; Y297-V301 HydrophobicContact CD2-CG2 4.27Å; Y297-V301 HydrophobicContact CE1-CG2 4.28Å; Y297-V301 HydrophobicContact CE2-CG2 3.95Å; Y297-V301 WeakPolarHBondContact O-CB 3.18Å; Y297-V301 VanDerWaalsContact O-CG2 3.26Å; Y297-V301 WeakPolarHBondContact O-CG2 3.41Å; Y297-V301 PolarHBondContact O-N 3.4Å; L299-V301 VanDerWaalsContact C-N 3.34Å; L299-V301 PolarHBondContact O-N 3.33Å; V301-T305 WeakPolarHBondContact O-CB 3.35Å; V301-T305 PolarHBondContact O-N 3.22Å; V301-T305 PolarHBondContact O-OG1 2.89Å
302	A	93.5	Very high	91.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-43.7	180	0	0	0	0	0	112.4	L64 I65 S298 L299 P300 S306	L64-A302 HydrophobicContact CB-CB 3.96Å; L64-A302 HydrophobicContact CD2-CB 3.6Å; L64-A302 HydrophobicContact CG-CB 3.66Å; I65-A302 HydrophobicContact CG1-CB 3.9Å; S298-A302 WeakPolarHBondContact O-CB 3.49Å; S298-A302 PolarHBondContact O-N 3.47Å; L299-A302 PolarHBondContact O-N 3.25Å; P300-A302 PolarHBondContact O-N 3.16Å; A302-S306 VanDerWaalsContact O-CB 3.27Å; A302-S306 WeakPolarHBondContact O-CB 3.41Å; A302-S306 PolarHBondContact O-N 2.94Å; A302-S306 PolarHBondContact O-OG 3.17Å
303	N	93.5	Very high	92.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.7	-55.1	176.3	-74.7	0.1	0	0	0	111.1	S108 P285 S286 L299 P300 T305 S306 I307	S108-N303 PolarHBondContact O-ND2 3.36Å; P285-N303 WeakPolarHBondContact CB-OD1 3.41Å; P285-N303 WeakPolarHBondContact CG-OD1 3.3Å; S286-N303 PolarHBondContact OG-ND2 3.43Å; S286-N303 PolarHBondContact OG-OD1 3.47Å; L299-N303 WeakPolarHBondContact O-CB 3.23Å; L299-N303 PolarHBondContact O-N 2.84Å; P300-N303 PolarHBondContact O-N 3.45Å; N303-T305 PolarHBondContact O-N 3.36Å; N303-S306 PolarHBondContact O-N 3.41Å; N303-S306 PolarHBondContact O-OG 3Å; N303-I307 WeakPolarHBondContact O-CB 3.4Å; N303-I307 WeakPolarHBondContact O-CD1 3.41Å; N303-I307 WeakPolarHBondContact O-CG1 3.45Å; N303-I307 PolarHBondContact O-N 3.28Å
304	V	96.1	Very high	92.9	Very high	35 Å²	35	39.6 Å²	39.6	21%	0.212	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-44.7	-176.8	174.6	0	0	0	0	111.2	I105 L109 P300 I307 L308	I105-V304 HydrophobicContact CG2-CG2 4.43Å; L109-V304 HydrophobicContact CD2-CG2 3.69Å; L109-V304 HydrophobicContact CG-CG2 4.31Å; P300-V304 WeakPolarHBondContact O-CB 3.3Å; P300-V304 VanDerWaalsContact O-CG2 3.3Å; P300-V304 WeakPolarHBondContact O-CG2 3.42Å; P300-V304 PolarHBondContact O-N 3.4Å; V304-I307 PolarHBondContact O-N 3.09Å; V304-L308 HydrophobicContact CG1-CD1 3.82Å; V304-L308 HydrophobicContact CG1-CG 4.33Å; V304-L308 WeakPolarHBondContact O-CB 3.28Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.42Å; V304-L308 PolarHBondContact O-N 2.93Å
305	T	95.5	Very high	93.4	Very high	49 Å²	49	31.8 Å²	31.8	30%	0.301	17%	0.17	S	C	.	.	H	α-helix	trans	-64.7	-43.6	-179.3	-52.8	0	0	0	0	111.5	I65 V301 N303 L308 I309	I65-T305 HydrophobicContact CD1-CG2 4.15Å; I65-T305 HydrophobicContact CG2-CG2 4.38Å; V301-T305 WeakPolarHBondContact O-CB 3.35Å; V301-T305 PolarHBondContact O-N 3.22Å; V301-T305 PolarHBondContact O-OG1 2.89Å; N303-T305 PolarHBondContact O-N 3.36Å; T305-L308 PolarHBondContact O-N 3.28Å; T305-I309 HydrophobicContact CG2-CD1 3.98Å; T305-I309 VanDerWaalsContact O-CG1 3.3Å; T305-I309 WeakPolarHBondContact O-CG1 3.37Å; T305-I309 PolarHBondContact O-N 3.49Å
306	S	94.3	Very high	94	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-41.1	178.6	57.4	0	0	0	0	112.2	M72 A302 N303 I309 V310	M72-S306 WeakPolarHBondContact CE-OG 3.27Å; A302-S306 VanDerWaalsContact O-CB 3.27Å; A302-S306 WeakPolarHBondContact O-CB 3.41Å; A302-S306 PolarHBondContact O-N 2.94Å; A302-S306 PolarHBondContact O-OG 3.17Å; N303-S306 PolarHBondContact O-N 3.41Å; N303-S306 PolarHBondContact O-OG 3Å; S306-I309 PolarHBondContact O-N 3.22Å; S306-V310 VanDerWaalsContact O-CG2 3.28Å; S306-V310 WeakPolarHBondContact O-CG2 3.2Å; S306-V310 PolarHBondContact O-N 2.82Å
307	I	96.4	Very high	94.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-43.4	175.5	-64.2	162.2	0	0	0	111.2	M72 T101 A104 I105 S108 F279 N303 V304 I309 V310 G311	M72-I307 HydrophobicContact CE-CG1 3.89Å; M72-I307 HydrophobicContact SD-CG1 4.02Å; T101-I307 HydrophobicContact CG2-CG2 3.89Å; A104-I307 HydrophobicContact CB-CG2 3.92Å; I105-I307 HydrophobicContact CD1-CG2 4.48Å; I105-I307 HydrophobicContact CG1-CB 4.27Å; I105-I307 HydrophobicContact CG1-CG2 3.67Å; S108-I307 VanDerWaalsContact OG-CD1 3.26Å; S108-I307 WeakPolarHBondContact OG-CD1 3.34Å; F279-I307 HydrophobicContact CD1-CG2 4.11Å; F279-I307 HydrophobicContact CE1-CG2 4.24Å; N303-I307 WeakPolarHBondContact O-CB 3.4Å; N303-I307 WeakPolarHBondContact O-CD1 3.41Å; N303-I307 WeakPolarHBondContact O-CG1 3.45Å; N303-I307 PolarHBondContact O-N 3.28Å; V304-I307 PolarHBondContact O-N 3.09Å; I307-I309 PolarHBondContact O-N 3.29Å; I307-V310 PolarHBondContact O-N 3.42Å; I307-G311 WeakPolarHBondContact O-CA 3.28Å; I307-G311 PolarHBondContact O-N 3.09Å
308	L	97	Very high	94.6	Very high	89 Å²	89	24.6 Å²	24.6	47%	0.466	14%	0.137	S	C	.	.	H	α-helix	trans	-61.8	-43.3	178.4	-77.6	171.9	0	0	0	112	I105 V304 T305 G311 L312	I105-L308 HydrophobicContact CD1-CD2 3.76Å; I105-L308 HydrophobicContact CD1-CG 4.16Å; V304-L308 HydrophobicContact CG1-CD1 3.82Å; V304-L308 HydrophobicContact CG1-CG 4.33Å; V304-L308 WeakPolarHBondContact O-CB 3.28Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.42Å; V304-L308 PolarHBondContact O-N 2.93Å; T305-L308 PolarHBondContact O-N 3.28Å; L308-G311 PolarHBondContact O-N 3.24Å; L308-L312 WeakPolarHBondContact O-CB 3.38Å; L308-L312 PolarHBondContact O-N 2.93Å
309	I	94.9	Very high	94.8	Very high	65 Å²	65	26.6 Å²	26.6	33%	0.333	15%	0.147	S	C	.	.	H	α-helix	trans	-63.7	-48.9	177	-67.8	166.3	0	0	0	110.3	I65 L69 T305 S306 I307 G311 L312 V313	I65-I309 HydrophobicContact CG2-CD1 4.47Å; L69-I309 HydrophobicContact CD1-CD1 4.41Å; L69-I309 HydrophobicContact CD1-CG2 4.43Å; L69-I309 HydrophobicContact CD2-CB 3.84Å; L69-I309 HydrophobicContact CD2-CD1 4.42Å; L69-I309 HydrophobicContact CD2-CG2 3.64Å; T305-I309 HydrophobicContact CG2-CD1 3.98Å; T305-I309 VanDerWaalsContact O-CG1 3.3Å; T305-I309 WeakPolarHBondContact O-CG1 3.37Å; T305-I309 PolarHBondContact O-N 3.49Å; S306-I309 PolarHBondContact O-N 3.22Å; I307-I309 PolarHBondContact O-N 3.29Å; I309-G311 VanDerWaalsContact C-N 3.32Å; I309-G311 PolarHBondContact O-N 3.32Å; I309-L312 PolarHBondContact O-N 3.41Å; I309-V313 HydrophobicContact CG2-CG2 4.47Å; I309-V313 VanDerWaalsContact O-CG2 3.3Å; I309-V313 WeakPolarHBondContact O-CG2 3.2Å; I309-V313 PolarHBondContact O-N 2.7Å
310	V	94.4	Very high	95	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-40.3	178.8	175	0	0	0	0	111.1	L69 M72 L73 F279 S306 I307 V313 T314	L69-V310 HydrophobicContact CD2-CG2 3.71Å; M72-V310 HydrophobicContact CB-CG1 4.28Å; M72-V310 HydrophobicContact CB-CG2 3.95Å; M72-V310 HydrophobicContact SD-CG2 4.24Å; L73-V310 HydrophobicContact CD1-CG2 4.28Å; L73-V310 HydrophobicContact CD2-CG1 4Å; L73-V310 HydrophobicContact CD2-CG2 4.08Å; L73-V310 HydrophobicContact CG-CG2 3.95Å; F279-V310 HydrophobicContact CD1-CG1 4.25Å; F279-V310 HydrophobicContact CE1-CB 4.13Å; F279-V310 HydrophobicContact CE1-CG1 3.75Å; F279-V310 HydrophobicContact CZ-CG1 4.46Å; S306-V310 VanDerWaalsContact O-CG2 3.28Å; S306-V310 WeakPolarHBondContact O-CG2 3.2Å; S306-V310 PolarHBondContact O-N 2.82Å; I307-V310 PolarHBondContact O-N 3.42Å; V310-V313 PolarHBondContact O-N 3.36Å; V310-T314 HydrophobicContact CG1-CG2 4.14Å; V310-T314 WeakPolarHBondContact O-CB 3.36Å; V310-T314 VanDerWaalsContact O-CG2 3.28Å; V310-T314 WeakPolarHBondContact O-CG2 3.38Å; V310-T314 PolarHBondContact O-N 3.28Å; V310-T314 PolarHBondContact O-OG1 3.06Å
311	G	95.7	Very high	95.1	Very high	3 Å²	3	26 Å²	26	3%	0.031	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-46.1	174.2	0	0	0	0	0	112	T101 I307 L308 I309 T314 T315	T101-G311 WeakPolarHBondContact OG1-CA 3.15Å; I307-G311 WeakPolarHBondContact O-CA 3.28Å; I307-G311 PolarHBondContact O-N 3.09Å; L308-G311 PolarHBondContact O-N 3.24Å; I309-G311 VanDerWaalsContact C-N 3.32Å; I309-G311 PolarHBondContact O-N 3.32Å; G311-T314 WeakPolarHBondContact CA-OG1 3.28Å; G311-T314 PolarHBondContact O-N 3.44Å; G311-T314 PolarHBondContact O-OG1 3.45Å; G311-T314 VanDerWaalsContact O-OG1 3.12Å; G311-T315 VanDerWaalsContact O-CB 3.3Å; G311-T315 WeakPolarHBondContact O-CB 3.24Å; G311-T315 WeakPolarHBondContact O-CG2 3.28Å; G311-T315 PolarHBondContact O-N 3.15Å; G311-T315 PolarHBondContact O-OG1 3.32Å
312	L	96	Very high	95.1	Very high	107 Å²	107	24 Å²	24	56%	0.56	13%	0.131	S	C	*	.	H	α-helix	trans	-62.5	-47	175	-114.1	168.3	0	0	0	112	L308 I309 T314 T315 L316	L308-L312 WeakPolarHBondContact O-CB 3.38Å; L308-L312 PolarHBondContact O-N 2.93Å; I309-L312 PolarHBondContact O-N 3.41Å; L312-T314 PolarHBondContact O-N 2.96Å; L312-T315 WeakPolarHBondContact CA-OG1 3.07Å; L312-T315 PolarHBondContact O-OG1 3.24Å; L312-L316 HydrophobicContact CD2-CD1 3.71Å; L312-L316 HydrophobicContact CD2-CG 4.07Å; L312-L316 VanDerWaalsContact O-CB 3.28Å; L312-L316 WeakPolarHBondContact O-CB 3.44Å; L312-L316 WeakPolarHBondContact O-CG 3.31Å; L312-L316 PolarHBondContact O-N 3.4Å
313	V	94.5	Very high	95.1	Very high	12 Å²	12	25.3 Å²	25.3	7%	0.073	14%	0.138	C	C	.	.	H	α-helix	trans	-62.8	-43.4	-179.7	172.3	0	0	0	0	111.3	L230 L231 I309 V310 S317	L230-V313 HydrophobicContact CD2-CG1 3.68Å; L230-V313 HydrophobicContact CG-CG1 4.18Å; L231-V313 HydrophobicContact CD2-CG1 4.41Å; L231-V313 HydrophobicContact CD2-CG2 4.05Å; I309-V313 HydrophobicContact CG2-CG2 4.47Å; I309-V313 VanDerWaalsContact O-CG2 3.3Å; I309-V313 WeakPolarHBondContact O-CG2 3.2Å; I309-V313 PolarHBondContact O-N 2.7Å; V310-V313 PolarHBondContact O-N 3.36Å; V313-S317 WeakPolarHBondContact O-CB 3.47Å; V313-S317 PolarHBondContact O-N 2.97Å; V313-S317 PolarHBondContact O-OG 2.79Å; V313-S317 VanDerWaalsContact O-OG 3.13Å
314	T	94.5	Very high	95.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-72.9	-39.5	-178.7	50.4	0	0	0	0	113.4	I77 Y97 V310 G311 L312 S317 A318	I77-T314 HydrophobicContact CG2-CG2 3.26Å; Y97-T314 HydrophobicContact CD1-CG2 4.48Å; Y97-T314 HydrophobicContact CE1-CG2 4.34Å; V310-T314 HydrophobicContact CG1-CG2 4.14Å; V310-T314 WeakPolarHBondContact O-CB 3.36Å; V310-T314 VanDerWaalsContact O-CG2 3.28Å; V310-T314 WeakPolarHBondContact O-CG2 3.38Å; V310-T314 PolarHBondContact O-N 3.28Å; V310-T314 PolarHBondContact O-OG1 3.06Å; G311-T314 WeakPolarHBondContact CA-OG1 3.28Å; G311-T314 PolarHBondContact O-N 3.44Å; G311-T314 PolarHBondContact O-OG1 3.45Å; G311-T314 VanDerWaalsContact O-OG1 3.12Å; L312-T314 PolarHBondContact O-N 2.96Å; T314-S317 WeakPolarHBondContact CA-OG 3.47Å; T314-S317 PolarHBondContact O-N 3.31Å; T314-S317 PolarHBondContact O-OG 3.19Å; T314-S317 VanDerWaalsContact O-OG 3.11Å; T314-A318 VanDerWaalsContact O-CB 3.29Å; T314-A318 WeakPolarHBondContact O-CB 3.32Å; T314-A318 PolarHBondContact O-N 3.49Å
315	T	96.1	Very high	94.9	Very high	20 Å²	20	24.9 Å²	24.9	12%	0.123	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-45.4	174.7	51.7	0	0	0	0	111.2	I98 G311 L312 L319	I98-T315 HydrophobicContact CG1-CG2 3.62Å; G311-T315 VanDerWaalsContact O-CB 3.3Å; G311-T315 WeakPolarHBondContact O-CB 3.24Å; G311-T315 WeakPolarHBondContact O-CG2 3.28Å; G311-T315 PolarHBondContact O-N 3.15Å; G311-T315 PolarHBondContact O-OG1 3.32Å; L312-T315 WeakPolarHBondContact CA-OG1 3.07Å; L312-T315 PolarHBondContact O-OG1 3.24Å; T315-L319 VanDerWaalsContact O-CB 3.3Å; T315-L319 WeakPolarHBondContact O-CB 3.3Å; T315-L319 PolarHBondContact O-N 3.37Å
316	L	96.4	Very high	94.6	Very high	75 Å²	75	23 Å²	23	39%	0.393	12%	0.121	S	C	.	.	H	α-helix	trans	-67	-40.7	176.9	-70.3	175.3	0	0	0	112.2	T234 F238 L312 L319 A320	T234-L316 HydrophobicContact CG2-CB 4.24Å; F238-L316 HydrophobicContact CE2-CB 4.34Å; F238-L316 HydrophobicContact CE2-CD2 4.44Å; F238-L316 HydrophobicContact CZ-CD2 4.38Å; F238-L316 WeakPolarHBondContact CZ-O 3.35Å; L312-L316 HydrophobicContact CD2-CD1 3.71Å; L312-L316 HydrophobicContact CD2-CG 4.07Å; L312-L316 VanDerWaalsContact O-CB 3.28Å; L312-L316 WeakPolarHBondContact O-CB 3.44Å; L312-L316 WeakPolarHBondContact O-CG 3.31Å; L312-L316 PolarHBondContact O-N 3.4Å; L316-L319 PolarHBondContact O-N 2.94Å; L316-A320 WeakPolarHBondContact O-CB 3.44Å; L316-A320 PolarHBondContact O-N 3.47Å
317	S	95.2	Very high	94.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.2	-40.7	179.7	71	0	0	0	0	112.3	T234 V313 T314 A320 L321	T234-S317 WeakPolarHBondContact OG1-CB 3.47Å; V313-S317 WeakPolarHBondContact O-CB 3.47Å; V313-S317 PolarHBondContact O-N 2.97Å; V313-S317 PolarHBondContact O-OG 2.79Å; V313-S317 VanDerWaalsContact O-OG 3.13Å; T314-S317 WeakPolarHBondContact CA-OG 3.47Å; T314-S317 PolarHBondContact O-N 3.31Å; T314-S317 PolarHBondContact O-OG 3.19Å; T314-S317 VanDerWaalsContact O-OG 3.11Å; S317-A320 PolarHBondContact O-N 2.88Å; S317-L321 VanDerWaalsContact O-CB 3.24Å; S317-L321 WeakPolarHBondContact O-CB 3.29Å; S317-L321 PolarHBondContact O-N 3.47Å
318	A	95.4	Very high	94	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.1	-40.9	173.9	0	0	0	0	0	111.9	T81 A93 Y97 T314 T322	T81-A318 HydrophobicContact CG2-CB 4.06Å; A93-A318 HydrophobicContact CB-CB 4.39Å; Y97-A318 HydrophobicContact CD2-CB 3.96Å; Y97-A318 HydrophobicContact CE2-CB 4.04Å; T314-A318 VanDerWaalsContact O-CB 3.29Å; T314-A318 WeakPolarHBondContact O-CB 3.32Å; T314-A318 PolarHBondContact O-N 3.49Å; A318-T322 WeakPolarHBondContact O-CG2 3.28Å; A318-T322 PolarHBondContact O-N 2.9Å; A318-T322 VanDerWaalsContact O-N 3.11Å; A318-T322 PolarHBondContact O-OG1 3.34Å
319	L	94.6	Very high	93.6	Very high	46 Å²	46	28.3 Å²	28.3	24%	0.241	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-44.7	176.5	-164.5	156.7	0	0	0	111.2	F94 F238 T315 L316 L321 T322 L323	F94-L319 HydrophobicContact CB-CB 4.11Å; F94-L319 HydrophobicContact CB-CD1 4.47Å; F94-L319 HydrophobicContact CD1-CD1 4.39Å; F94-L319 HydrophobicContact CD2-CD1 4.24Å; F94-L319 HydrophobicContact CG-CD1 4.09Å; F238-L319 HydrophobicContact CE1-CD2 3.43Å; F238-L319 VanDerWaalsContact CE1-CD2 3.43Å; F238-L319 HydrophobicContact CZ-CB 4.45Å; F238-L319 HydrophobicContact CZ-CD2 3.77Å; T315-L319 VanDerWaalsContact O-CB 3.3Å; T315-L319 WeakPolarHBondContact O-CB 3.3Å; T315-L319 PolarHBondContact O-N 3.37Å; L316-L319 PolarHBondContact O-N 2.94Å; L319-L321 PolarHBondContact O-N 2.76Å; L319-T322 PolarHBondContact O-OG1 2.93Å; L319-L323 HydrophobicContact CD2-CD1 3.54Å; L319-L323 HydrophobicContact CD2-CG 4.37Å; L319-L323 WeakPolarHBondContact O-CG 3.3Å; L319-L323 PolarHBondContact O-N 3.23Å
320	A	95.4	Very high	93.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-44.6	176.9	0	0	0	0	0	111.9	T234 M237 F238 L316 S317 L323 Y324	T234-A320 HydrophobicContact CG2-CB 3.87Å; M237-A320 HydrophobicContact CB-CB 3.84Å; F238-A320 HydrophobicContact CD1-CB 3.99Å; F238-A320 HydrophobicContact CD2-CB 3.74Å; F238-A320 HydrophobicContact CE1-CB 3.85Å; F238-A320 HydrophobicContact CE2-CB 3.62Å; F238-A320 HydrophobicContact CG-CB 3.92Å; F238-A320 HydrophobicContact CZ-CB 3.66Å; L316-A320 WeakPolarHBondContact O-CB 3.44Å; L316-A320 PolarHBondContact O-N 3.47Å; S317-A320 PolarHBondContact O-N 2.88Å; A320-L323 PolarHBondContact O-N 2.89Å; A320-Y324 VanDerWaalsContact O-CB 3.29Å; A320-Y324 WeakPolarHBondContact O-CB 3.41Å; A320-Y324 PolarHBondContact O-N 2.86Å
321	L	95	Very high	93.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-46.1	-178.5	179.2	65.1	0	0	0	112.1	T81 I85 M237 S317 L319 L323 Y324 Y325 I330 A335 F336 A339	T81-L321 HydrophobicContact CG2-CD2 3.99Å; I85-L321 HydrophobicContact CD1-CD2 3.6Å; I85-L321 HydrophobicContact CD1-CG 4.25Å; M237-L321 HydrophobicContact CE-CD1 4.1Å; M237-L321 HydrophobicContact SD-CB 4.07Å; M237-L321 HydrophobicContact SD-CD1 3.79Å; S317-L321 VanDerWaalsContact O-CB 3.24Å; S317-L321 WeakPolarHBondContact O-CB 3.29Å; S317-L321 PolarHBondContact O-N 3.47Å; L319-L321 PolarHBondContact O-N 2.76Å; L321-L323 VanDerWaalsContact C-N 3.26Å; L321-L323 PolarHBondContact O-N 3.49Å; L321-Y324 PolarHBondContact O-N 3.45Å; L321-Y325 PolarHBondContact O-N 3.48Å; L321-I330 HydrophobicContact CD1-CD1 4.41Å; L321-I330 HydrophobicContact CD2-CD1 4.1Å; L321-I330 HydrophobicContact CD2-CG2 4.33Å; L321-I330 HydrophobicContact CG-CD1 3.82Å; L321-A335 HydrophobicContact CD2-CB 3.74Å; L321-F336 HydrophobicContact CB-CE1 4.18Å; L321-F336 HydrophobicContact CD1-CD1 4.32Å; L321-F336 HydrophobicContact CD2-CD1 4.26Å; L321-F336 HydrophobicContact CD2-CE1 4.1Å; L321-A339 HydrophobicContact CD1-CB 3.56Å
322	T	92.9	Very high	92.9	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-65.5	-26.3	178.1	51.4	0	0	0	0	113.5	I85 A318 L319	I85-T322 HydrophobicContact CD1-CG2 3.79Å; I85-T322 HydrophobicContact CG1-CG2 3.92Å; I85-T322 HydrophobicContact CG2-CG2 3.86Å; A318-T322 WeakPolarHBondContact O-CG2 3.28Å; A318-T322 PolarHBondContact O-N 2.9Å; A318-T322 VanDerWaalsContact O-N 3.11Å; A318-T322 PolarHBondContact O-OG1 3.34Å; L319-T322 PolarHBondContact O-OG1 2.93Å
323	L	92.9	Very high	92.4	Very high	28 Å²	28	26.3 Å²	26.3	15%	0.147	13%	0.128	C	C	.	.	H	α-helix	trans	-84	-28.5	173.6	-72.1	175.1	0	0	0	113.3	F238 A241 K242 H245 Y246 L319 A320 L321	F238-L323 HydrophobicContact CD1-CD1 4.49Å; F238-L323 HydrophobicContact CE1-CD1 4.21Å; A241-L323 HydrophobicContact CB-CB 3.82Å; A241-L323 HydrophobicContact CB-CD1 4.41Å; K242-L323 PolarHBondContact N-O 3.49Å; H245-L323 PolarHBondContact ND1-O 3.41Å; Y246-L323 HydrophobicContact CD2-CD2 3.69Å; Y246-L323 HydrophobicContact CD2-CG 4.43Å; Y246-L323 HydrophobicContact CE2-CD2 4.24Å; Y246-L323 HydrophobicContact CG-CD2 4.38Å; L319-L323 HydrophobicContact CD2-CD1 3.54Å; L319-L323 HydrophobicContact CD2-CG 4.37Å; L319-L323 WeakPolarHBondContact O-CG 3.3Å; L319-L323 PolarHBondContact O-N 3.23Å; A320-L323 PolarHBondContact O-N 2.89Å; L321-L323 VanDerWaalsContact C-N 3.26Å; L321-L323 PolarHBondContact O-N 3.49Å
324	Y	93.5	Very high	92.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-81.4	-43.2	-178.1	177.5	-104.4	0	0	0	112.2	Y236 M237 H245 A320 L321 A339 L340 N343	Y236-Y324 HydrophobicContact CE1-CE2 4.14Å; M237-Y324 HydrophobicContact CB-CD2 4.32Å; M237-Y324 HydrophobicContact CB-CG 3.97Å; M237-Y324 HydrophobicContact CG-CD1 3.82Å; M237-Y324 HydrophobicContact CG-CD2 4.27Å; M237-Y324 HydrophobicContact CG-CE1 4.43Å; M237-Y324 HydrophobicContact CG-CG 3.73Å; M237-Y324 HydrophobicContact SD-CD1 4.35Å; H245-Y324 PolarHBondContact CE1-O 2.7Å; H245-Y324 PolarHBondContact ND1-O 3.44Å; A320-Y324 VanDerWaalsContact O-CB 3.29Å; A320-Y324 WeakPolarHBondContact O-CB 3.41Å; A320-Y324 PolarHBondContact O-N 2.86Å; L321-Y324 PolarHBondContact O-N 3.45Å; Y324-A339 HydrophobicContact CD1-CB 4.18Å; Y324-A339 HydrophobicContact CE1-CB 4.26Å; Y324-A339 WeakPolarHBondContact CE1-O 3.3Å; Y324-L340 HydrophobicContact CE1-CD2 4.42Å; Y324-N343 HydrophobicContact CE1-CB 3.85Å; Y324-N343 VanDerWaalsContact CE1-ND2 3.31Å; Y324-N343 WeakPolarHBondContact CE1-ND2 3.25Å; Y324-N343 VanDerWaalsContact CZ-ND2 3.27Å; Y324-N343 PolarHBondContact O-ND2 2.96Å
325	Y	92.1	Very high	92.2	Very high	26 Å²	26	25.9 Å²	25.9	10%	0.102	13%	0.125	C	C	.	.	S	Bend	trans	-130.2	138.2	-175	-167.7	-129.9	0	0	0	111.3	L321 W327 Y329 I330 A339 N343	L321-Y325 PolarHBondContact O-N 3.48Å; Y325-W327 PolarHBondContact O-N 2.92Å; Y325-Y329 WeakPolarHBondContact CE1-O 3.38Å; Y325-Y329 VanDerWaalsContact CZ-CB 3.48Å; Y325-Y329 WeakPolarHBondContact OH-CB 3.38Å; Y325-I330 HydrophobicContact CD1-CG1 3.72Å; Y325-I330 HydrophobicContact CE1-CG1 4.49Å; Y325-A339 HydrophobicContact CD1-CB 3.91Å; Y325-A339 HydrophobicContact CG-CB 4.04Å; Y325-N343 HydrophobicContact CD2-CB 3.73Å; Y325-N343 HydrophobicContact CE2-CB 4.15Å
326	P	90.6	Very high	92.1	Very high	9 Å²	9	25 Å²	25	6%	0.058	12%	0.12	C	C	.	.			trans	-57.1	130.6	-178.1	-23.1	32.6	0	0	0	112.1	F328 Y329	P326-F328 HydrophobicContact CB-CD1 4.06Å; P326-F328 HydrophobicContact CB-CE1 3.48Å; P326-F328 VanDerWaalsContact CB-CE1 3.48Å; P326-F328 HydrophobicContact CB-CE2 4.21Å; P326-F328 HydrophobicContact CB-CZ 3.56Å; P326-F328 HydrophobicContact CG-CZ 4.42Å; P326-F328 PolarHBondContact O-N 3.05Å; P326-Y329 HydrophobicContact CB-CD2 4.09Å; P326-Y329 HydrophobicContact CG-CD2 4.27Å; P326-Y329 PolarHBondContact O-N 3.42Å
327	W	89.2	Confident	92	Very high	14 Å²	14	21.4 Å²	21.4	5%	0.053	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.4	-168	64.2	-93.5	0	0	0	114.7	I85 Y250 P262 Y263 Y325	I85-W327 HydrophobicContact CG2-CB 3.65Å; Y250-W327 AromaticContact CD2-CH2 3.97Å; Y250-W327 HydrophobicContact CD2-CH2 3.97Å; Y250-W327 HydrophobicContact CD2-CZ2 4.46Å; P262-W327 HydrophobicContact CB-CH2 4.19Å; P262-W327 HydrophobicContact CB-CZ2 4.3Å; P262-W327 HydrophobicContact CG-CH2 4.23Å; P262-W327 HydrophobicContact CG-CZ2 4.29Å; Y263-W327 HydrophobicContact CE2-CZ3 4.23Å; Y325-W327 PolarHBondContact O-N 2.92Å
328	F	88.1	Confident	91.9	Very high	44 Å²	44	22 Å²	22	19%	0.193	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.8	-179.6	52.5	-89.7	0	0	0	114.1	I248 Y250 P326	I248-F328 HydrophobicContact CB-CE1 4.2Å; I248-F328 HydrophobicContact CG2-CE1 3.59Å; I248-F328 HydrophobicContact CG2-CZ 3.96Å; Y250-F328 HydrophobicContact CD2-CB 3.91Å; Y250-F328 HydrophobicContact CD2-CG 4.48Å; Y250-F328 HydrophobicContact CE2-CB 4.16Å; P326-F328 HydrophobicContact CB-CD1 4.06Å; P326-F328 HydrophobicContact CB-CE1 3.48Å; P326-F328 VanDerWaalsContact CB-CE1 3.48Å; P326-F328 HydrophobicContact CB-CE2 4.21Å; P326-F328 HydrophobicContact CB-CZ 3.56Å; P326-F328 HydrophobicContact CG-CZ 4.42Å; P326-F328 PolarHBondContact O-N 3.05Å
329	Y	88.9	Confident	91.8	Very high	144 Å²	144	22 Å²	22	57%	0.565	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	-5.8	172.8	-70	-54.3	0	0	0	113.2	Y325 P326 D331	Y325-Y329 WeakPolarHBondContact CE1-O 3.38Å; Y325-Y329 VanDerWaalsContact CZ-CB 3.48Å; Y325-Y329 WeakPolarHBondContact OH-CB 3.38Å; P326-Y329 HydrophobicContact CB-CD2 4.09Å; P326-Y329 HydrophobicContact CG-CD2 4.27Å; P326-Y329 PolarHBondContact O-N 3.42Å; Y329-D331 PolarHBondContact O-N 3.06Å
330	I	91.5	Very high	91.8	Very high	7 Å²	7	19.9 Å²	19.9	4%	0.036	9%	0.093	C	C	.	.			trans	-65.3	122.6	179.7	-71.4	171.5	0	0	0	109.3	I85 S86 L321 Y325 A335	I85-I330 HydrophobicContact CB-CD1 4.36Å; I85-I330 HydrophobicContact CD1-CD1 4.16Å; I85-I330 HydrophobicContact CG2-CD1 3.58Å; S86-I330 WeakPolarHBondContact CB-O 3.34Å; L321-I330 HydrophobicContact CD1-CD1 4.41Å; L321-I330 HydrophobicContact CD2-CD1 4.1Å; L321-I330 HydrophobicContact CD2-CG2 4.33Å; L321-I330 HydrophobicContact CG-CD1 3.82Å; Y325-I330 HydrophobicContact CD1-CG1 3.72Å; Y325-I330 HydrophobicContact CE1-CG1 4.49Å; I330-A335 HydrophobicContact CG2-CB 3.62Å
331	D	89.6	Confident	91.6	Very high	62 Å²	62	23.3 Å²	23.3	33%	0.332	11%	0.108	S	C	.	.			trans	-68.4	139	174.2	179.2	51.3	0	0	0	111.4	Y329 E333 N334 A335 N338	Y329-D331 PolarHBondContact O-N 3.06Å; D331-E333 PolarHBondContact OD2-N 3.48Å; D331-N334 PolarHBondContact OD2-N 3.42Å; D331-A335 WeakPolarHBondContact O-CA 3.26Å; D331-A335 WeakPolarHBondContact O-CB 3.33Å; D331-A335 PolarHBondContact O-N 3.43Å; D331-N338 HydrophobicContact CB-CB 4.18Å; D331-N338 WeakPolarHBondContact CB-ND2 3.26Å; D331-N338 PolarHBondContact OD2-ND2 3.48Å
332	A	87.9	Confident	91.3	Very high	17 Å²	17	26.7 Å²	26.7	14%	0.14	13%	0.126	C	C	.	.	S	Bend	trans	-73.8	-29.7	-175	0	0	0	0	0	112.8	S83	S83-A332 PolarHBondContact N-O 3.1Å
333	E	87.2	Confident	91.2	Very high	46 Å²	46	26.7 Å²	26.7	22%	0.215	13%	0.126	C	C	.	.	S	Bend	trans	-94.8	-37	-173.3	-60	-160.8	152.2	0	0	113	N161 D331	N161-E333 PolarHBondContact ND2-OE2 3.49Å; D331-E333 PolarHBondContact OD2-N 3.48Å
334	N	90	Very high	90.8	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	16%	0.155	C	C	.	.	S	Bend	trans	-136.5	59.4	-179.2	-164.7	16.2	0	0	0	113.6	T165 D331 F336 L337 N338	T165-N334 VanDerWaalsContact CB-ND2 3.32Å; T165-N334 WeakPolarHBondContact CB-ND2 3.17Å; T165-N334 PolarHBondContact OG1-ND2 3.42Å; D331-N334 PolarHBondContact OD2-N 3.42Å; N334-F336 PolarHBondContact O-N 2.82Å; N334-L337 WeakPolarHBondContact ND2-CB 3.28Å; N334-L337 WeakPolarHBondContact ND2-CD1 3.43Å; N334-N338 WeakPolarHBondContact O-CB 3.14Å; N334-N338 PolarHBondContact O-N 3.37Å; N334-N338 VanDerWaalsContact O-N 3.14Å; N334-N338 PolarHBondContact O-ND2 2.9Å
335	A	93	Very high	90.2	Very high	1 Å²	1	40 Å²	40	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-52.7	-48.7	-173.7	0	0	0	0	0	115.2	L321 I330 D331 A339	L321-A335 HydrophobicContact CD2-CB 3.74Å; I330-A335 HydrophobicContact CG2-CB 3.62Å; D331-A335 WeakPolarHBondContact O-CA 3.26Å; D331-A335 WeakPolarHBondContact O-CB 3.33Å; D331-A335 PolarHBondContact O-N 3.43Å; A335-A339 WeakPolarHBondContact O-CB 3.24Å; A335-A339 PolarHBondContact O-N 3.05Å
336	F	94.6	Very high	89.7	Confident	1 Å²	1	39.2 Å²	39.2	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-70.7	-45.8	-172.2	-63.4	-77.3	0	0	0	112.6	Y78 T81 L230 M237 L321 N334 L340 F364	Y78-F336 AromaticContact CD1-CD2 3.99Å; Y78-F336 HydrophobicContact CD1-CD2 3.99Å; Y78-F336 HydrophobicContact CD1-CE2 4.13Å; T81-F336 HydrophobicContact CG2-CE2 4.21Å; T81-F336 HydrophobicContact CG2-CZ 3.75Å; L230-F336 HydrophobicContact CD1-CD1 4.37Å; L230-F336 HydrophobicContact CD1-CD2 4.31Å; L230-F336 HydrophobicContact CD1-CE1 4.08Å; L230-F336 HydrophobicContact CD1-CE2 4Å; L230-F336 HydrophobicContact CD1-CG 4.48Å; L230-F336 HydrophobicContact CD1-CZ 3.88Å; M237-F336 HydrophobicContact CE-CB 4.07Å; M237-F336 HydrophobicContact CE-CD1 3.78Å; M237-F336 HydrophobicContact CE-CG 4.43Å; M237-F336 HydrophobicContact SD-CD1 4.1Å; L321-F336 HydrophobicContact CB-CE1 4.18Å; L321-F336 HydrophobicContact CD1-CD1 4.32Å; L321-F336 HydrophobicContact CD2-CD1 4.26Å; L321-F336 HydrophobicContact CD2-CE1 4.1Å; N334-F336 PolarHBondContact O-N 2.82Å; F336-L340 WeakPolarHBondContact O-CG 3.5Å; F336-L340 PolarHBondContact O-N 2.77Å; F336-L340 VanDerWaalsContact O-N 3.1Å; F336-F364 HydrophobicContact CB-CE2 4.24Å
337	L	94.4	Very high	89.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-72.9	-40.4	-177.2	-66.6	175.8	0	0	0	111.8	I162 T165 N334 A339 L340 K341 F357 V360 F364	I162-L337 HydrophobicContact CB-CD1 4.29Å; I162-L337 HydrophobicContact CG1-CD1 3.98Å; I162-L337 HydrophobicContact CG2-CD1 3.63Å; T165-L337 HydrophobicContact CG2-CB 4.26Å; N334-L337 WeakPolarHBondContact ND2-CB 3.28Å; N334-L337 WeakPolarHBondContact ND2-CD1 3.43Å; L337-A339 VanDerWaalsContact C-N 3.32Å; L337-A339 PolarHBondContact O-N 3.16Å; L337-L340 PolarHBondContact O-N 2.99Å; L337-K341 WeakPolarHBondContact O-CB 3.42Å; L337-K341 PolarHBondContact O-N 2.86Å; L337-F357 HydrophobicContact CB-CD2 4.21Å; L337-F357 HydrophobicContact CB-CE2 4.04Å; L337-F357 HydrophobicContact CD2-CD2 4.31Å; L337-F357 WeakPolarHBondContact O-CD2 3.1Å; L337-V360 HydrophobicContact CD2-CB 4.17Å; L337-V360 HydrophobicContact CD2-CG1 3.97Å; L337-F364 HydrophobicContact CD1-CD2 4.09Å; L337-F364 HydrophobicContact CD2-CD2 4.39Å; L337-F364 HydrophobicContact CD2-CE2 4.45Å; L337-F364 HydrophobicContact CG-CD2 4.15Å; L337-F364 HydrophobicContact CG-CE2 4.26Å
338	N	93	Very high	89.2	Confident	12 Å²	12	43.9 Å²	43.9	6%	0.064	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-39.6	175.5	-73.4	-21.8	0	0	0	111.1	T165 D331 N334 L340 K341 D342	T165-N338 WeakPolarHBondContact CG2-OD1 3.27Å; D331-N338 HydrophobicContact CB-CB 4.18Å; D331-N338 WeakPolarHBondContact CB-ND2 3.26Å; D331-N338 PolarHBondContact OD2-ND2 3.48Å; N334-N338 WeakPolarHBondContact O-CB 3.14Å; N334-N338 PolarHBondContact O-N 3.37Å; N334-N338 VanDerWaalsContact O-N 3.14Å; N334-N338 PolarHBondContact O-ND2 2.9Å; N338-L340 PolarHBondContact O-N 3.21Å; N338-K341 PolarHBondContact O-N 3Å; N338-D342 WeakPolarHBondContact O-CB 3.48Å; N338-D342 PolarHBondContact O-N 3Å
339	A	93.5	Very high	89.2	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-59.7	-43.9	172.4	0	0	0	0	0	112.4	L321 Y324 Y325 A335 L337 K341 N343	L321-A339 HydrophobicContact CD1-CB 3.56Å; Y324-A339 HydrophobicContact CD1-CB 4.18Å; Y324-A339 HydrophobicContact CE1-CB 4.26Å; Y324-A339 WeakPolarHBondContact CE1-O 3.3Å; Y325-A339 HydrophobicContact CD1-CB 3.91Å; Y325-A339 HydrophobicContact CG-CB 4.04Å; A335-A339 WeakPolarHBondContact O-CB 3.24Å; A335-A339 PolarHBondContact O-N 3.05Å; L337-A339 VanDerWaalsContact C-N 3.32Å; L337-A339 PolarHBondContact O-N 3.16Å; A339-K341 VanDerWaalsContact C-N 3.32Å; A339-K341 PolarHBondContact O-N 3.42Å; A339-N343 WeakPolarHBondContact O-CB 3.5Å; A339-N343 PolarHBondContact O-N 3.34Å
340	L	94.4	Very high	89.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-37.4	177.5	-70.8	171.8	0	0	0	112.6	Y236 M237 Y324 F336 L337 N338 M356 F357 V360	Y236-L340 HydrophobicContact CD1-CD2 3.51Å; Y236-L340 HydrophobicContact CE1-CD2 3.59Å; M237-L340 HydrophobicContact CE-CD1 4.47Å; M237-L340 HydrophobicContact CE-CD2 4.17Å; M237-L340 HydrophobicContact CE-CG 3.98Å; Y324-L340 HydrophobicContact CE1-CD2 4.42Å; F336-L340 WeakPolarHBondContact O-CG 3.5Å; F336-L340 PolarHBondContact O-N 2.77Å; F336-L340 VanDerWaalsContact O-N 3.1Å; L337-L340 PolarHBondContact O-N 2.99Å; N338-L340 PolarHBondContact O-N 3.21Å; L340-M356 HydrophobicContact CD1-CB 4.47Å; L340-M356 HydrophobicContact CD2-CB 4.28Å; L340-F357 HydrophobicContact CB-CB 4.27Å; L340-V360 HydrophobicContact CD1-CB 4.15Å; L340-V360 HydrophobicContact CD1-CG1 4.42Å; L340-V360 HydrophobicContact CD1-CG2 4.12Å
341	K	91.2	Very high	89.2	Confident	73 Å²	73	52.4 Å²	52.4	32%	0.317	27%	0.265	S	S	.	.	H	α-helix	trans	-76.5	-47.8	-178.7	-177.8	-175.5	169.7	-172.2	0	113.1	L337 N338 A339 F357	L337-K341 WeakPolarHBondContact O-CB 3.42Å; L337-K341 PolarHBondContact O-N 2.86Å; N338-K341 PolarHBondContact O-N 3Å; A339-K341 VanDerWaalsContact C-N 3.32Å; A339-K341 PolarHBondContact O-N 3.42Å; K341-F357 HydrophobicContact CB-CD2 3.9Å; K341-F357 HydrophobicContact CB-CE2 4.06Å; K341-F357 HydrophobicContact CD-CE2 4.16Å; K341-F357 HydrophobicContact CD-CZ 4.4Å
342	D	89.6	Confident	89.3	Confident	70 Å²	70	50.2 Å²	50.2	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-95.5	-14.4	-164.7	-64.2	-26.8	0	0	0	114	N338 K344	N338-D342 WeakPolarHBondContact O-CB 3.48Å; N338-D342 PolarHBondContact O-N 3Å; D342-K344 PolarHBondContact O-N 3.42Å
343	N	89.8	Confident	89.4	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.016	26%	0.255	C	S	.	.			trans	-72.5	73.6	177.9	-170.4	2.5	0	0	0	112.5	Y324 Y325 A339 E345 S346 R353	Y324-N343 HydrophobicContact CE1-CB 3.85Å; Y324-N343 VanDerWaalsContact CE1-ND2 3.31Å; Y324-N343 WeakPolarHBondContact CE1-ND2 3.25Å; Y324-N343 VanDerWaalsContact CZ-ND2 3.27Å; Y324-N343 PolarHBondContact O-ND2 2.96Å; Y325-N343 HydrophobicContact CD2-CB 3.73Å; Y325-N343 HydrophobicContact CE2-CB 4.15Å; A339-N343 WeakPolarHBondContact O-CB 3.5Å; A339-N343 PolarHBondContact O-N 3.34Å; N343-E345 VanDerWaalsContact C-N 3.26Å; N343-E345 PolarHBondContact O-N 3.09Å; N343-S346 WeakPolarHBondContact O-CB 3.34Å; N343-S346 PolarHBondContact O-N 2.94Å; N343-S346 PolarHBondContact OD1-N 2.74Å; N343-R353 WeakPolarHBondContact O-CD 3.18Å; N343-R353 PolarHBondContact O-NE 3.35Å
344	K	84.1	Confident	89.7	Confident	172 Å²	172	52.8 Å²	52.8	75%	0.748	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.8	178.4	-66.4	179.2	-175.8	175.7	0	113	D342 S346	D342-K344 PolarHBondContact O-N 3.42Å; K344-S346 VanDerWaalsContact C-N 3.29Å
345	E	81.7	Confident	89.9	Confident	135 Å²	135	57.9 Å²	57.9	63%	0.631	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-13	178.9	-61.9	-172.4	178.4	0	0	113.6	K242 N343	K242-E345 WeakPolarHBondContact CE-O 3.49Å; K242-E345 PolarHBondContact NZ-O 3.39Å; N343-E345 VanDerWaalsContact C-N 3.26Å; N343-E345 PolarHBondContact O-N 3.09Å
346	S	81.8	Confident	90	Very high	9 Å²	9	59.5 Å²	59.5	6%	0.063	30%	0.297	C	S	.	.	S	Bend	trans	-58.2	139.9	178.1	178.4	0	0	0	0	111.2	N343 K344 A348 R353	N343-S346 WeakPolarHBondContact O-CB 3.34Å; N343-S346 PolarHBondContact O-N 2.94Å; N343-S346 PolarHBondContact OD1-N 2.74Å; K344-S346 VanDerWaalsContact C-N 3.29Å; S346-A348 PolarHBondContact O-N 3.33Å; S346-A348 WeakPolarHBondContact OG-CB 3.5Å; S346-A348 PolarHBondContact OG-N 3.14Å; S346-R353 PolarHBondContact O-NH1 3.23Å
347	T	84.2	Confident	90	Very high	115 Å²	115	60.4 Å²	60.4	71%	0.706	30%	0.301	S	S	*	.	S	Bend	trans	-67.9	-10.3	174.4	50.2	0	0	0	0	112.8
348	A	85.7	Confident	90	Very high	7 Å²	7	63.2 Å²	63.2	6%	0.058	32%	0.32	C	S	.	.	S	Bend	trans	-62.2	148.4	173.7	0	0	0	0	0	111.9	Y236 Y240 S346 R353	Y236-A348 WeakPolarHBondContact OH-CB 3.44Å; Y240-A348 HydrophobicContact CD1-CB 3.71Å; Y240-A348 HydrophobicContact CD2-CB 4.06Å; Y240-A348 VanDerWaalsContact CE1-CA 3.46Å; Y240-A348 HydrophobicContact CE1-CB 3.56Å; Y240-A348 HydrophobicContact CE2-CB 3.95Å; Y240-A348 HydrophobicContact CG-CB 3.95Å; S346-A348 PolarHBondContact O-N 3.33Å; S346-A348 WeakPolarHBondContact OG-CB 3.5Å; S346-A348 PolarHBondContact OG-N 3.14Å; A348-R353 HydrophobicContact CB-CG 4.09Å; A348-R353 PolarHBondContact O-NH1 3.48Å
349	S	88	Confident	90.1	Very high	74 Å²	74	65.4 Å²	65.4	52%	0.517	33%	0.332	S	S	.	.			trans	-61.3	146.2	171	67	0	0	0	0	110.7	F351 G352 R353	S349-F351 PolarHBondContact O-N 3.37Å; S349-G352 PolarHBondContact O-N 3.07Å; S349-G352 PolarHBondContact OG-N 3.41Å; S349-R353 PolarHBondContact O-N 2.72Å; S349-R353 VanDerWaalsContact O-N 3.09Å
350	Q	88.6	Confident	90.2	Very high	139 Å²	139	65.4 Å²	65.4	65%	0.65	33%	0.331	S	S	*	.	H	α-helix	trans	-55.7	-40.7	175.5	179.7	179	-9.5	0	0	111.3	R353 I354	Q350-R353 PolarHBondContact O-N 3.31Å; Q350-I354 HydrophobicContact CG-CD1 3.91Å; Q350-I354 WeakPolarHBondContact O-CG1 3.48Å; Q350-I354 PolarHBondContact O-N 3.39Å; Q350-I354 VanDerWaalsContact O-N 3.11Å
351	F	91	Very high	90.2	Very high	160 Å²	160	65.4 Å²	65.4	70%	0.702	33%	0.331	S	S	*	.	H	α-helix	trans	-60.3	-45	174.9	-176.9	-95	0	0	0	112	S349 R353 I354 F355	S349-F351 PolarHBondContact O-N 3.37Å; F351-R353 VanDerWaalsContact C-N 3.34Å; F351-R353 PolarHBondContact O-N 3.43Å; F351-I354 PolarHBondContact O-N 2.9Å; F351-F355 HydrophobicContact CE1-CB 4.47Å; F351-F355 VanDerWaalsContact O-CB 3.3Å; F351-F355 WeakPolarHBondContact O-CB 3.4Å; F351-F355 PolarHBondContact O-N 3.38Å
352	G	91.1	Very high	90.2	Very high	16 Å²	16	65.1 Å²	65.1	17%	0.165	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-40.4	178.3	0	0	0	0	0	113	S349 M356	S349-G352 PolarHBondContact O-N 3.07Å; S349-G352 PolarHBondContact OG-N 3.41Å; G352-M356 WeakPolarHBondContact O-CB 3.45Å; G352-M356 WeakPolarHBondContact O-CG 3.47Å; G352-M356 PolarHBondContact O-N 3.4Å
353	R	91.6	Very high	90.4	Very high	27 Å²	27	62 Å²	62	10%	0.102	32%	0.323	C	S	.	.	H	α-helix	trans	-64.4	-47.8	175.8	-72.4	-164.8	-59.9	-90.1	4.2	112.4	Y236 N343 S346 A348 S349 Q350 F351 F355 M356 F357	Y236-R353 WeakPolarHBondContact OH-CG 3.4Å; Y236-R353 PolarHBondContact OH-N 3.39Å; N343-R353 WeakPolarHBondContact O-CD 3.18Å; N343-R353 PolarHBondContact O-NE 3.35Å; S346-R353 PolarHBondContact O-NH1 3.23Å; A348-R353 HydrophobicContact CB-CG 4.09Å; A348-R353 PolarHBondContact O-NH1 3.48Å; S349-R353 PolarHBondContact O-N 2.72Å; S349-R353 VanDerWaalsContact O-N 3.09Å; Q350-R353 PolarHBondContact O-N 3.31Å; F351-R353 VanDerWaalsContact C-N 3.34Å; F351-R353 PolarHBondContact O-N 3.43Å; R353-F355 VanDerWaalsContact C-N 3.35Å; R353-M356 PolarHBondContact O-N 3.14Å; R353-F357 VanDerWaalsContact O-CB 3.31Å; R353-F357 WeakPolarHBondContact O-CB 3.06Å; R353-F357 PolarHBondContact O-N 3.07Å
354	I	92.2	Very high	90.5	Very high	91 Å²	91	61.9 Å²	61.9	47%	0.467	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-42.6	179.2	-65.3	167.6	0	0	0	110.5	Q350 F351 F357 C358	Q350-I354 HydrophobicContact CG-CD1 3.91Å; Q350-I354 WeakPolarHBondContact O-CG1 3.48Å; Q350-I354 PolarHBondContact O-N 3.39Å; Q350-I354 VanDerWaalsContact O-N 3.11Å; F351-I354 PolarHBondContact O-N 2.9Å; I354-F357 WeakPolarHBondContact O-CB 3.48Å; I354-F357 PolarHBondContact O-N 3.23Å; I354-C358 PolarHBondContact O-N 3.04Å; I354-C358 PolarHBondContact O-SG 3.44Å; I354-C358 VanDerWaalsContact O-SG 3.37Å
355	F	94.7	Very high	90.9	Very high	109 Å²	109	55.1 Å²	55.1	48%	0.478	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-48.7	176.5	178.8	-99.9	0	0	0	111.6	F351 R353 F357 C358 L359	F351-F355 HydrophobicContact CE1-CB 4.47Å; F351-F355 VanDerWaalsContact O-CB 3.3Å; F351-F355 WeakPolarHBondContact O-CB 3.4Å; F351-F355 PolarHBondContact O-N 3.38Å; R353-F355 VanDerWaalsContact C-N 3.35Å; F355-F357 PolarHBondContact O-N 3.46Å; F355-C358 PolarHBondContact O-N 3.36Å; F355-L359 HydrophobicContact CE1-CD1 3.71Å; F355-L359 HydrophobicContact CZ-CD1 3.83Å; F355-L359 WeakPolarHBondContact O-CB 3.24Å; F355-L359 PolarHBondContact O-N 3.32Å
356	M	94.8	Very high	91.3	Very high	35 Å²	35	53 Å²	53	17%	0.172	29%	0.288	C	S	.	.	H	α-helix	trans	-65	-38.9	177.6	-72.2	-49.5	-140.1	0	0	112.7	I232 Y236 L340 G352 R353 C358 L359 V360	I232-M356 HydrophobicContact CG2-CE 3.76Å; I232-M356 HydrophobicContact CG2-SD 4.17Å; Y236-M356 HydrophobicContact CD1-CG 4.27Å; Y236-M356 HydrophobicContact CD2-CE 3.51Å; Y236-M356 HydrophobicContact CD2-CG 3.55Å; Y236-M356 HydrophobicContact CD2-SD 4.39Å; Y236-M356 HydrophobicContact CE1-CB 4.47Å; Y236-M356 HydrophobicContact CE1-CG 4.32Å; Y236-M356 HydrophobicContact CE2-CB 4.49Å; Y236-M356 HydrophobicContact CE2-CE 4.32Å; Y236-M356 HydrophobicContact CE2-CG 3.57Å; Y236-M356 HydrophobicContact CG-CE 3.93Å; Y236-M356 HydrophobicContact CG-CG 3.89Å; L340-M356 HydrophobicContact CD1-CB 4.47Å; L340-M356 HydrophobicContact CD2-CB 4.28Å; G352-M356 WeakPolarHBondContact O-CB 3.45Å; G352-M356 WeakPolarHBondContact O-CG 3.47Å; G352-M356 PolarHBondContact O-N 3.4Å; R353-M356 PolarHBondContact O-N 3.14Å; M356-C358 PolarHBondContact O-N 2.84Å; M356-L359 PolarHBondContact O-N 2.91Å; M356-V360 VanDerWaalsContact O-CB 3.29Å; M356-V360 WeakPolarHBondContact O-CB 3.47Å; M356-V360 VanDerWaalsContact O-CG2 3.25Å; M356-V360 WeakPolarHBondContact O-CG2 3.47Å; M356-V360 PolarHBondContact O-N 3.4Å
357	F	95	Very high	91.6	Very high	21 Å²	21	52.7 Å²	52.7	9%	0.092	29%	0.286	C	S	.	.	H	α-helix	trans	-55.5	-49.3	172.4	169.9	-97	0	0	0	111.6	T165 F166 L337 L340 K341 R353 I354 F355 G361	T165-F357 HydrophobicContact CG2-CE2 3.79Å; T165-F357 HydrophobicContact CG2-CZ 4.09Å; F166-F357 AromaticContact CD1-CE1 3.69Å; F166-F357 HydrophobicContact CD1-CE1 3.69Å; F166-F357 AromaticContact CD1-CZ 3.99Å; F166-F357 HydrophobicContact CD1-CZ 3.99Å; F166-F357 HydrophobicContact CE1-CD1 4.38Å; F166-F357 AromaticContact CE1-CE1 3.85Å; F166-F357 HydrophobicContact CE1-CE1 3.85Å; F166-F357 HydrophobicContact CE1-CZ 4.3Å; L337-F357 HydrophobicContact CB-CD2 4.21Å; L337-F357 HydrophobicContact CB-CE2 4.04Å; L337-F357 HydrophobicContact CD2-CD2 4.31Å; L337-F357 WeakPolarHBondContact O-CD2 3.1Å; L340-F357 HydrophobicContact CB-CB 4.27Å; K341-F357 HydrophobicContact CB-CD2 3.9Å; K341-F357 HydrophobicContact CB-CE2 4.06Å; K341-F357 HydrophobicContact CD-CE2 4.16Å; K341-F357 HydrophobicContact CD-CZ 4.4Å; R353-F357 VanDerWaalsContact O-CB 3.31Å; R353-F357 WeakPolarHBondContact O-CB 3.06Å; R353-F357 PolarHBondContact O-N 3.07Å; I354-F357 WeakPolarHBondContact O-CB 3.48Å; I354-F357 PolarHBondContact O-N 3.23Å; F355-F357 PolarHBondContact O-N 3.46Å; F357-G361 PolarHBondContact O-N 3.42Å
358	C	94.8	Very high	91.8	Very high	59 Å²	59	47.2 Å²	47.2	40%	0.399	25%	0.252	S	S	.	.	H	α-helix	trans	-66.2	-43.7	178.6	-68.7	0	0	0	0	112.9	I354 F355 M356 S362	I354-C358 PolarHBondContact O-N 3.04Å; I354-C358 PolarHBondContact O-SG 3.44Å; I354-C358 VanDerWaalsContact O-SG 3.37Å; F355-C358 PolarHBondContact O-N 3.36Å; M356-C358 PolarHBondContact O-N 2.84Å; C358-S362 VanDerWaalsContact O-CB 3.31Å; C358-S362 WeakPolarHBondContact O-CB 3.32Å; C358-S362 PolarHBondContact O-N 3.1Å; C358-S362 PolarHBondContact O-OG 2.9Å
359	L	94.8	Very high	91.9	Very high	58 Å²	58	50.1 Å²	50.1	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-52.8	-178.7	-174.8	156.8	0	0	0	111.1	I232 F355 M356 S362 G363	I232-L359 HydrophobicContact CD1-CD2 4.09Å; I232-L359 HydrophobicContact CG2-CD2 4.12Å; F355-L359 HydrophobicContact CE1-CD1 3.71Å; F355-L359 HydrophobicContact CZ-CD1 3.83Å; F355-L359 WeakPolarHBondContact O-CB 3.24Å; F355-L359 PolarHBondContact O-N 3.32Å; M356-L359 PolarHBondContact O-N 2.91Å; L359-S362 PolarHBondContact O-OG 3.03Å; L359-G363 PolarHBondContact O-N 2.73Å
360	V	94.5	Very high	91.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.7	-43.7	-179.3	175.6	0	0	0	0	110.4	A233 L337 L340 M356 S362 G363 F364	A233-V360 HydrophobicContact CB-CB 4.49Å; A233-V360 HydrophobicContact CB-CG1 3.87Å; A233-V360 HydrophobicContact CB-CG2 3.78Å; L337-V360 HydrophobicContact CD2-CB 4.17Å; L337-V360 HydrophobicContact CD2-CG1 3.97Å; L340-V360 HydrophobicContact CD1-CB 4.15Å; L340-V360 HydrophobicContact CD1-CG1 4.42Å; L340-V360 HydrophobicContact CD1-CG2 4.12Å; M356-V360 VanDerWaalsContact O-CB 3.29Å; M356-V360 WeakPolarHBondContact O-CB 3.47Å; M356-V360 VanDerWaalsContact O-CG2 3.25Å; M356-V360 WeakPolarHBondContact O-CG2 3.47Å; M356-V360 PolarHBondContact O-N 3.4Å; V360-S362 PolarHBondContact O-N 2.82Å; V360-G363 PolarHBondContact O-N 3.12Å; V360-F364 HydrophobicContact CG1-CD1 4.34Å; V360-F364 HydrophobicContact CG1-CD2 4.14Å; V360-F364 HydrophobicContact CG1-CE1 3.81Å; V360-F364 HydrophobicContact CG1-CE2 3.58Å; V360-F364 HydrophobicContact CG1-CG 4.49Å; V360-F364 HydrophobicContact CG1-CZ 3.39Å; V360-F364 WeakPolarHBondContact O-CG 3.35Å; V360-F364 PolarHBondContact O-N 3.33Å
361	G	94.3	Very high	91.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-41.3	-179.3	0	0	0	0	0	112.8	F166 F357 G363 F364 V365	F166-G361 VanDerWaalsContact CZ-C 3.42Å; F166-G361 VanDerWaalsContact CZ-CA 3.48Å; F357-G361 PolarHBondContact O-N 3.42Å; G361-G363 VanDerWaalsContact C-N 3.33Å; G361-G363 PolarHBondContact O-N 3Å; G361-F364 PolarHBondContact O-N 3.49Å; G361-V365 WeakPolarHBondContact O-CG2 3.19Å; G361-V365 PolarHBondContact O-N 3.27Å
362	S	93.1	Very high	91.3	Very high	67 Å²	67	34.1 Å²	34.1	47%	0.469	19%	0.189	S	C	.	.	H	α-helix	trans	-65.6	-37.8	176.8	62.6	0	0	0	0	111.9	C358 L359 V360 V365 L366	C358-S362 VanDerWaalsContact O-CB 3.31Å; C358-S362 WeakPolarHBondContact O-CB 3.32Å; C358-S362 PolarHBondContact O-N 3.1Å; C358-S362 PolarHBondContact O-OG 2.9Å; L359-S362 PolarHBondContact O-OG 3.03Å; V360-S362 PolarHBondContact O-N 2.82Å; S362-V365 PolarHBondContact O-N 3.35Å; S362-L366 WeakPolarHBondContact O-CB 3.37Å; S362-L366 PolarHBondContact O-N 3.41Å
363	G	92.8	Very high	91	Very high	5 Å²	5	34.9 Å²	34.9	5%	0.052	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-43.4	172.6	0	0	0	0	0	113	L359 V360 G361 G367	L359-G363 PolarHBondContact O-N 2.73Å; V360-G363 PolarHBondContact O-N 3.12Å; G361-G363 VanDerWaalsContact C-N 3.33Å; G361-G363 PolarHBondContact O-N 3Å; G363-G367 PolarHBondContact O-N 3.43Å
364	F	92.8	Very high	90.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.6	-43.5	176.2	-66.1	-11.2	0	0	0	112.3	Y78 I162 A229 L230 F336 L337 V360 G361 L366 G367 L368	Y78-F364 HydrophobicContact CD1-CD2 4.47Å; Y78-F364 HydrophobicContact CD1-CE2 4.05Å; Y78-F364 HydrophobicContact CD1-CZ 4.09Å; Y78-F364 AromaticContact CE1-CD1 3.98Å; Y78-F364 HydrophobicContact CE1-CD1 3.98Å; Y78-F364 HydrophobicContact CE1-CD2 4.2Å; Y78-F364 AromaticContact CE1-CE1 3.56Å; Y78-F364 HydrophobicContact CE1-CE1 3.56Å; Y78-F364 AromaticContact CE1-CE2 3.81Å; Y78-F364 HydrophobicContact CE1-CE2 3.81Å; Y78-F364 HydrophobicContact CE1-CG 4.29Å; Y78-F364 AromaticContact CE1-CZ 3.46Å; Y78-F364 HydrophobicContact CE1-CZ 3.46Å; Y78-F364 VanDerWaalsContact CE1-CZ 3.46Å; Y78-F364 HydrophobicContact CE2-CD1 4.45Å; Y78-F364 HydrophobicContact CE2-CG 4.42Å; Y78-F364 AromaticContact CZ-CD1 3.68Å; Y78-F364 AromaticContact CZ-CE1 3.7Å; Y78-F364 VanDerWaalsContact OH-CD1 3.29Å; Y78-F364 WeakPolarHBondContact OH-CD1 3.35Å; Y78-F364 WeakPolarHBondContact OH-CE1 3.24Å; I162-F364 HydrophobicContact CD1-CB 3.76Å; I162-F364 HydrophobicContact CD1-CD2 4.44Å; A229-F364 HydrophobicContact CB-CD1 3.98Å; A229-F364 HydrophobicContact CB-CE1 3.94Å; L230-F364 HydrophobicContact CB-CE1 4.06Å; L230-F364 HydrophobicContact CB-CZ 4.45Å; L230-F364 HydrophobicContact CD1-CZ 4.19Å; F336-F364 HydrophobicContact CB-CE2 4.24Å; L337-F364 HydrophobicContact CD1-CD2 4.09Å; L337-F364 HydrophobicContact CD2-CD2 4.39Å; L337-F364 HydrophobicContact CD2-CE2 4.45Å; L337-F364 HydrophobicContact CG-CD2 4.15Å; L337-F364 HydrophobicContact CG-CE2 4.26Å; V360-F364 HydrophobicContact CG1-CD1 4.34Å; V360-F364 HydrophobicContact CG1-CD2 4.14Å; V360-F364 HydrophobicContact CG1-CE1 3.81Å; V360-F364 HydrophobicContact CG1-CE2 3.58Å; V360-F364 HydrophobicContact CG1-CG 4.49Å; V360-F364 HydrophobicContact CG1-CZ 3.39Å; V360-F364 WeakPolarHBondContact O-CG 3.35Å; V360-F364 PolarHBondContact O-N 3.33Å; G361-F364 PolarHBondContact O-N 3.49Å; F364-L366 PolarHBondContact O-N 2.97Å; F364-G367 PolarHBondContact O-N 3.3Å; F364-L368 VanDerWaalsContact O-CB 3.3Å; F364-L368 WeakPolarHBondContact O-CB 3.29Å; F364-L368 VanDerWaalsContact O-CG 3.25Å; F364-L368 WeakPolarHBondContact O-CG 3.49Å; F364-L368 PolarHBondContact O-N 2.9Å
365	V	92.1	Very high	90.3	Very high	30 Å²	30	30.1 Å²	30.1	18%	0.182	17%	0.168	C	C	.	.	H	α-helix	trans	-58.7	-48.5	177.2	169.7	0	0	0	0	111.1	W159 I162 I163 F166 G361 S362 L369	W159-V365 HydrophobicContact CZ2-CG1 4.41Å; W159-V365 PolarHBondContact NE1-O 3Å; I162-V365 HydrophobicContact CB-CG2 4.37Å; I162-V365 HydrophobicContact CG2-CG2 3.48Å; I162-V365 VanDerWaalsContact CG2-CG2 3.48Å; I163-V365 HydrophobicContact CD1-CG1 4.18Å; I163-V365 HydrophobicContact CD1-CG2 3.85Å; F166-V365 HydrophobicContact CD2-CG2 4.39Å; F166-V365 HydrophobicContact CE2-CG2 3.91Å; G361-V365 WeakPolarHBondContact O-CG2 3.19Å; G361-V365 PolarHBondContact O-N 3.27Å; S362-V365 PolarHBondContact O-N 3.35Å; V365-L369 WeakPolarHBondContact O-CB 3.4Å; V365-L369 PolarHBondContact O-N 2.6Å; V365-L369 VanDerWaalsContact O-N 3.16Å
366	L	89.1	Confident	90	Very high	92 Å²	92	25.1 Å²	25.1	48%	0.482	15%	0.146	S	C	.	.	H	α-helix	trans	-64.7	-47.4	-179.8	-173	68.9	0	0	0	111.4	S222 V225 S362 F364 L369 T370	S222-L366 PolarHBondContact OG-O 3.32Å; V225-L366 HydrophobicContact CG1-CD2 4.2Å; S362-L366 WeakPolarHBondContact O-CB 3.37Å; S362-L366 PolarHBondContact O-N 3.41Å; F364-L366 PolarHBondContact O-N 2.97Å; L366-L369 PolarHBondContact O-N 3.18Å; L366-T370 PolarHBondContact O-N 2.71Å
367	G	87.8	Confident	89.6	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-57	-54.2	178.4	0	0	0	0	0	112.6	S222 G363 F364 L369 T370 S371	S222-G367 WeakPolarHBondContact OG-CA 2.99Å; G363-G367 PolarHBondContact O-N 3.43Å; F364-G367 PolarHBondContact O-N 3.3Å; G367-L369 PolarHBondContact O-N 3.35Å; G367-T370 PolarHBondContact O-N 3.33Å; G367-T370 PolarHBondContact O-OG1 3.2Å; G367-S371 PolarHBondContact O-N 3.38Å; G367-S371 VanDerWaalsContact O-N 3.12Å
368	L	89.8	Confident	89.1	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-39.3	-176.9	-70.6	175.9	0	0	0	112.5	Y78 V155 W159 I162 F364 T370 S371 L372	Y78-L368 HydrophobicContact CD2-CD1 4.25Å; Y78-L368 HydrophobicContact CD2-CD2 4.3Å; Y78-L368 HydrophobicContact CE2-CD1 4.18Å; Y78-L368 HydrophobicContact CE2-CD2 3.93Å; Y78-L368 HydrophobicContact CE2-CG 4.17Å; V155-L368 HydrophobicContact CG1-CB 4.28Å; V155-L368 HydrophobicContact CG1-CD2 4.1Å; W159-L368 HydrophobicContact CB-CB 4.45Å; I162-L368 HydrophobicContact CD1-CD1 3.36Å; F364-L368 VanDerWaalsContact O-CB 3.3Å; F364-L368 WeakPolarHBondContact O-CB 3.29Å; F364-L368 VanDerWaalsContact O-CG 3.25Å; F364-L368 WeakPolarHBondContact O-CG 3.49Å; F364-L368 PolarHBondContact O-N 2.9Å; L368-T370 VanDerWaalsContact C-N 3.31Å; L368-T370 PolarHBondContact O-N 3.07Å; L368-S371 WeakPolarHBondContact CA-OG 3.42Å; L368-S371 PolarHBondContact O-N 2.93Å; L368-S371 VanDerWaalsContact O-N 3.07Å; L368-S371 PolarHBondContact O-OG 3.35Å; L368-L372 PolarHBondContact O-N 3.3Å
369	L	87.1	Confident	88.9	Confident	68 Å²	68	22.1 Å²	22.1	36%	0.356	13%	0.131	S	C	.	.	H	α-helix	trans	-57.9	-44	179.3	-175	65.9	0	0	0	111.7	V200 L204 V365 L366 G367 L372	V200-L369 HydrophobicContact CG1-CD1 4.16Å; L204-L369 HydrophobicContact CD1-CD1 4.32Å; V365-L369 WeakPolarHBondContact O-CB 3.4Å; V365-L369 PolarHBondContact O-N 2.6Å; V365-L369 VanDerWaalsContact O-N 3.16Å; L366-L369 PolarHBondContact O-N 3.18Å; G367-L369 PolarHBondContact O-N 3.35Å; L369-L372 HydrophobicContact CD1-CD1 4.39Å
370	T	82.8	Confident	88.6	Confident	28 Å²	28	19.8 Å²	19.8	17%	0.172	12%	0.118	C	C	.	.	H	α-helix	trans	-72.9	-29.8	177.3	61.8	0	0	0	0	113.3	S222 L366 G367 L368 L372 L373	S222-T370 VanDerWaalsContact CB-CG2 3.44Å; S222-T370 WeakPolarHBondContact CB-OG1 3.32Å; S222-T370 WeakPolarHBondContact OG-CG2 3.49Å; S222-T370 PolarHBondContact OG-OG1 3.47Å; L366-T370 PolarHBondContact O-N 2.71Å; G367-T370 PolarHBondContact O-N 3.33Å; G367-T370 PolarHBondContact O-OG1 3.2Å; L368-T370 VanDerWaalsContact C-N 3.31Å; L368-T370 PolarHBondContact O-N 3.07Å; T370-L372 VanDerWaalsContact C-N 3.26Å; T370-L372 PolarHBondContact O-N 3.27Å; T370-L373 PolarHBondContact O-N 3.33Å
371	S	84.4	Confident	88.1	Confident	8 Å²	8	24.6 Å²	24.6	6%	0.056	14%	0.144	C	C	.	.	H	α-helix	trans	-68.7	-24.5	179.7	79.6	0	0	0	0	112.6	V155 G367 L368 L373 S374 P375	V155-S371 VanDerWaalsContact CG1-OG 3.24Å; V155-S371 WeakPolarHBondContact CG1-OG 3.19Å; G367-S371 PolarHBondContact O-N 3.38Å; G367-S371 VanDerWaalsContact O-N 3.12Å; L368-S371 WeakPolarHBondContact CA-OG 3.42Å; L368-S371 PolarHBondContact O-N 2.93Å; L368-S371 VanDerWaalsContact O-N 3.07Å; L368-S371 PolarHBondContact O-OG 3.35Å; S371-L373 VanDerWaalsContact C-N 3.27Å; S371-L373 PolarHBondContact O-N 3.26Å; S371-S374 PolarHBondContact O-N 2.9Å; S371-P375 WeakPolarHBondContact O-CD 3.3Å
372	L	87.8	Confident	87.8	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.01	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.4	177	-76	163.5	0	0	0	113.3	V152 V155 A156 V200 L204 L368 L369 T370 S374 P375 M376	V152-L372 HydrophobicContact CG1-CD2 3.94Å; V152-L372 WeakPolarHBondContact O-CD2 3.46Å; V155-L372 HydrophobicContact CB-CD2 3.63Å; V155-L372 HydrophobicContact CB-CG 4.25Å; V155-L372 HydrophobicContact CG1-CD1 4.41Å; V155-L372 HydrophobicContact CG1-CD2 3.47Å; V155-L372 VanDerWaalsContact CG1-CD2 3.47Å; V155-L372 HydrophobicContact CG1-CG 3.51Å; A156-L372 HydrophobicContact CB-CD2 4.03Å; V200-L372 HydrophobicContact CG1-CD1 3.79Å; L204-L372 HydrophobicContact CD1-CB 3.51Å; L204-L372 HydrophobicContact CD1-CD1 3.32Å; L204-L372 HydrophobicContact CD1-CG 3.96Å; L368-L372 PolarHBondContact O-N 3.3Å; L369-L372 HydrophobicContact CD1-CD1 4.39Å; T370-L372 VanDerWaalsContact C-N 3.26Å; T370-L372 PolarHBondContact O-N 3.27Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.47Å; L372-P375 WeakPolarHBondContact O-CD 3.45Å; L372-M376 WeakPolarHBondContact O-CB 3.29Å; L372-M376 PolarHBondContact O-N 3.44Å
373	L	84.3	Confident	87.6	Confident	32 Å²	32	21.7 Å²	21.7	17%	0.168	12%	0.123	C	C	.	.	H	α-helix	trans	-69	-31.4	-176.2	-171.1	65.1	0	0	0	112.2	C208 T370 S371 L377	C208-L373 WeakPolarHBondContact SG-CD1 3.43Å; T370-L373 PolarHBondContact O-N 3.33Å; S371-L373 VanDerWaalsContact C-N 3.27Å; S371-L373 PolarHBondContact O-N 3.26Å; L373-L377 HydrophobicContact CD1-CD1 4.37Å; L373-L377 HydrophobicContact CD1-CG 4.3Å; L373-L377 HydrophobicContact CD2-CD1 4.42Å; L373-L377 HydrophobicContact CG-CD1 3.95Å; L373-L377 HydrophobicContact CG-CG 4.29Å; L373-L377 VanDerWaalsContact O-CG 3.31Å; L373-L377 WeakPolarHBondContact O-CG 3.5Å; L373-L377 PolarHBondContact O-N 3.46Å
374	S	82.1	Confident	87.2	Confident	15 Å²	15	23.2 Å²	23.2	11%	0.105	13%	0.13	C	C	.	.	H	α-helix	trans	-66.2	-55.2	-175.3	-168.7	0	0	0	0	113.5	S371 L372 M376 L377 A378	S371-S374 PolarHBondContact O-N 2.9Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.47Å; S374-M376 VanDerWaalsContact C-N 3.31Å; S374-M376 PolarHBondContact O-N 3.24Å; S374-L377 PolarHBondContact O-N 3.01Å; S374-A378 WeakPolarHBondContact O-CB 3.12Å; S374-A378 PolarHBondContact O-N 3.47Å
375	P	88	Confident	86.8	Confident	3 Å²	3	24 Å²	24	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-67.8	-31	176.8	26.1	-30.8	0	0	0	112.2	Y148 V152 S371 L372 A378 S379	Y148-P375 HydrophobicContact CD1-CB 4.41Å; V152-P375 HydrophobicContact CG2-CB 3.86Å; V152-P375 HydrophobicContact CG2-CG 3.73Å; S371-P375 WeakPolarHBondContact O-CD 3.3Å; L372-P375 WeakPolarHBondContact O-CD 3.45Å; P375-A378 PolarHBondContact O-N 2.81Å; P375-S379 WeakPolarHBondContact O-CB 3.44Å; P375-S379 PolarHBondContact O-N 2.75Å; P375-S379 PolarHBondContact O-OG 3.02Å
376	M	88.3	Confident	86.7	Confident	4 Å²	4	22.6 Å²	22.6	2%	0.02	13%	0.128	C	C	.	.	H	α-helix	trans	-60.4	-47.9	173.7	-173.2	68	88.2	0	0	111.5	V152 I201 L372 S374 A378 S379 I380 I413	V152-M376 HydrophobicContact CG1-CE 4Å; V152-M376 HydrophobicContact CG2-CB 4.11Å; I201-M376 HydrophobicContact CG2-CE 4.31Å; L372-M376 WeakPolarHBondContact O-CB 3.29Å; L372-M376 PolarHBondContact O-N 3.44Å; S374-M376 VanDerWaalsContact C-N 3.31Å; S374-M376 PolarHBondContact O-N 3.24Å; M376-A378 PolarHBondContact O-N 3.39Å; M376-S379 PolarHBondContact O-N 2.88Å; M376-S379 PolarHBondContact O-OG 2.87Å; M376-I380 WeakPolarHBondContact O-CG1 3.34Å; M376-I380 PolarHBondContact O-N 3Å; M376-I413 HydrophobicContact CE-CG2 4.49Å; M376-I413 HydrophobicContact SD-CG2 3.46Å; M376-I413 WeakPolarHBondContact SD-CG2 3.5Å
377	L	85	Confident	86.6	Confident	30 Å²	30	18.4 Å²	18.4	16%	0.157	11%	0.107	C	C	.	.	H	α-helix	trans	-66.4	-37.5	175.4	-68.3	174.4	0	0	0	112.6	K214 L373 S374 I380 N381	K214-L377 HydrophobicContact CB-CD1 4.13Å; L373-L377 HydrophobicContact CD1-CD1 4.37Å; L373-L377 HydrophobicContact CD1-CG 4.3Å; L373-L377 HydrophobicContact CD2-CD1 4.42Å; L373-L377 HydrophobicContact CG-CD1 3.95Å; L373-L377 HydrophobicContact CG-CG 4.29Å; L373-L377 VanDerWaalsContact O-CG 3.31Å; L373-L377 WeakPolarHBondContact O-CG 3.5Å; L373-L377 PolarHBondContact O-N 3.46Å; S374-L377 PolarHBondContact O-N 3.01Å; L377-I380 PolarHBondContact O-N 3.38Å; L377-N381 PolarHBondContact O-N 3.2Å; L377-N381 VanDerWaalsContact O-N 3.12Å
378	A	86	Confident	86.4	Confident	22 Å²	22	27.7 Å²	27.7	18%	0.182	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-40.3	178.1	0	0	0	0	0	112.2	Y148 S374 P375 M376 I380 N381 I382	Y148-A378 HydrophobicContact CD1-CB 3.79Å; Y148-A378 HydrophobicContact CD2-CB 4.05Å; Y148-A378 HydrophobicContact CE1-CB 3.6Å; Y148-A378 HydrophobicContact CE2-CB 3.86Å; Y148-A378 HydrophobicContact CG-CB 4.03Å; S374-A378 WeakPolarHBondContact O-CB 3.12Å; S374-A378 PolarHBondContact O-N 3.47Å; P375-A378 PolarHBondContact O-N 2.81Å; M376-A378 PolarHBondContact O-N 3.39Å; A378-I380 VanDerWaalsContact C-N 3.34Å; A378-I380 PolarHBondContact O-N 3.21Å; A378-N381 PolarHBondContact O-N 2.73Å; A378-I382 WeakPolarHBondContact O-CG2 3.49Å; A378-I382 PolarHBondContact O-N 3.34Å
379	S	89.5	Confident	86.1	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.6	-38.4	175.9	67.9	0	0	0	0	112.9	P375 M376 I382 C383 I413	P375-S379 WeakPolarHBondContact O-CB 3.44Å; P375-S379 PolarHBondContact O-N 2.75Å; P375-S379 PolarHBondContact O-OG 3.02Å; M376-S379 PolarHBondContact O-N 2.88Å; M376-S379 PolarHBondContact O-OG 2.87Å; S379-I382 VanDerWaalsContact O-CG2 3.26Å; S379-I382 WeakPolarHBondContact O-CG2 3.37Å; S379-C383 VanDerWaalsContact O-CB 3.28Å; S379-C383 WeakPolarHBondContact O-CB 3.42Å; S379-C383 PolarHBondContact O-N 3.34Å; S379-C383 VanDerWaalsContact O-N 3.12Å; S379-I413 WeakPolarHBondContact OG-CD1 3.25Å
380	I	88.2	Confident	85.9	Confident	8 Å²	8	25 Å²	25	4%	0.041	13%	0.127	C	C	.	.	H	α-helix	trans	-65.5	-46.7	174.5	-62.3	165.3	0	0	0	110.4	M376 L377 A378 C383 L384 P406 T409 I410 I413	M376-I380 WeakPolarHBondContact O-CG1 3.34Å; M376-I380 PolarHBondContact O-N 3Å; L377-I380 PolarHBondContact O-N 3.38Å; A378-I380 VanDerWaalsContact C-N 3.34Å; A378-I380 PolarHBondContact O-N 3.21Å; I380-C383 PolarHBondContact O-N 2.95Å; I380-L384 HydrophobicContact CG2-CD1 4.22Å; I380-L384 HydrophobicContact CG2-CG 4.48Å; I380-L384 WeakPolarHBondContact O-CG 3.43Å; I380-L384 PolarHBondContact O-N 3.03Å; I380-P406 HydrophobicContact CG2-CG 3.84Å; I380-T409 HydrophobicContact CG1-CG2 4.47Å; I380-T409 HydrophobicContact CG2-CG2 4.38Å; I380-I410 HydrophobicContact CD1-CD1 4.32Å; I380-I410 HydrophobicContact CD1-CG1 3.81Å; I380-I410 HydrophobicContact CG1-CG1 4.2Å; I380-I413 HydrophobicContact CG1-CD1 3.7Å
381	N	85.6	Confident	86.1	Confident	102 Å²	102	23.6 Å²	23.6	55%	0.545	12%	0.119	S	C	.	.	H	α-helix	trans	-64.6	-42.4	-177.3	-72.3	-13.4	0	0	0	112.5	L377 A378 L384 A385	L377-N381 PolarHBondContact O-N 3.2Å; L377-N381 VanDerWaalsContact O-N 3.12Å; A378-N381 PolarHBondContact O-N 2.73Å; N381-L384 PolarHBondContact O-N 2.7Å; N381-A385 WeakPolarHBondContact O-CB 3.4Å; N381-A385 PolarHBondContact O-N 2.88Å
382	I	86.8	Confident	86.4	Confident	5 Å²	5	23.4 Å²	23.4	3%	0.026	12%	0.117	C	C	.	.	H	α-helix	trans	-67.6	-37.8	176.7	-171.2	49.2	0	0	0	111.5	C124 H125 F145 Y148 A378 S379 L384 A385 M386	C124-I382 WeakPolarHBondContact SG-CD1 3.24Å; H125-I382 VanDerWaalsContact ND1-CD1 3.31Å; H125-I382 WeakPolarHBondContact ND1-CD1 3.29Å; F145-I382 HydrophobicContact CB-CG2 4.06Å; F145-I382 HydrophobicContact CD2-CG2 3.68Å; F145-I382 HydrophobicContact CG-CG2 4.31Å; Y148-I382 HydrophobicContact CD2-CB 4.5Å; Y148-I382 HydrophobicContact CD2-CG2 3.74Å; Y148-I382 HydrophobicContact CE2-CB 4.19Å; Y148-I382 HydrophobicContact CE2-CG2 3.93Å; A378-I382 WeakPolarHBondContact O-CG2 3.49Å; A378-I382 PolarHBondContact O-N 3.34Å; S379-I382 VanDerWaalsContact O-CG2 3.26Å; S379-I382 WeakPolarHBondContact O-CG2 3.37Å; I382-L384 PolarHBondContact O-N 3.4Å; I382-A385 HydrophobicContact CD1-CB 4.32Å; I382-A385 WeakPolarHBondContact O-CB 3.44Å; I382-A385 PolarHBondContact O-N 3.15Å; I382-M386 HydrophobicContact CD1-CG 4.37Å; I382-M386 HydrophobicContact CG1-CE 4.5Å; I382-M386 HydrophobicContact CG1-CG 4.49Å; I382-M386 WeakPolarHBondContact O-CG 3.5Å; I382-M386 PolarHBondContact O-N 3.12Å
383	C	89.6	Confident	86.5	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-62.6	-44.4	175.7	-172.8	0	0	0	0	111.2	F145 S379 I380 A385 M386 A387 I392 T409	F145-C383 HydrophobicContact CD2-CB 4.39Å; F145-C383 HydrophobicContact CE2-CB 3.93Å; F145-C383 HydrophobicContact CZ-CB 4.38Å; S379-C383 VanDerWaalsContact O-CB 3.28Å; S379-C383 WeakPolarHBondContact O-CB 3.42Å; S379-C383 PolarHBondContact O-N 3.34Å; S379-C383 VanDerWaalsContact O-N 3.12Å; I380-C383 PolarHBondContact O-N 2.95Å; C383-A385 VanDerWaalsContact C-N 3.32Å; C383-A385 PolarHBondContact O-N 2.92Å; C383-M386 HydrophobicContact CB-CE 4.43Å; C383-M386 PolarHBondContact O-N 2.83Å; C383-A387 WeakPolarHBondContact O-CB 3.29Å; C383-A387 PolarHBondContact O-N 2.68Å; C383-I392 WeakPolarHBondContact O-CD1 3.4Å; C383-I392 WeakPolarHBondContact SG-CD1 3.33Å; C383-T409 HydrophobicContact CB-CG2 3.66Å; C383-T409 VanDerWaalsContact SG-CG2 3.59Å
384	L	85.3	Confident	86.5	Confident	36 Å²	36	26.6 Å²	26.6	19%	0.188	14%	0.141	C	C	.	.	H	α-helix	trans	-60.7	-40.5	173	-72.6	179.1	0	0	0	112.6	I380 N381 I382 A387 R388 P406	I380-L384 HydrophobicContact CG2-CD1 4.22Å; I380-L384 HydrophobicContact CG2-CG 4.48Å; I380-L384 WeakPolarHBondContact O-CG 3.43Å; I380-L384 PolarHBondContact O-N 3.03Å; N381-L384 PolarHBondContact O-N 2.7Å; I382-L384 PolarHBondContact O-N 3.4Å; L384-A387 PolarHBondContact O-N 3.19Å; L384-R388 VanDerWaalsContact O-CG 3.32Å; L384-R388 WeakPolarHBondContact O-CG 3.2Å; L384-R388 PolarHBondContact O-N 3.04Å; L384-P406 HydrophobicContact CD1-CG 4.18Å; L384-P406 HydrophobicContact CD2-CB 4.05Å; L384-P406 HydrophobicContact CD2-CG 3.86Å; L384-P406 HydrophobicContact CG-CG 4.17Å
385	A	83.8	Confident	86.6	Confident	17 Å²	17	29.7 Å²	29.7	14%	0.14	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-45.1	176.8	0	0	0	0	0	112.2	N381 I382 C383 A387 R388 D389	N381-A385 WeakPolarHBondContact O-CB 3.4Å; N381-A385 PolarHBondContact O-N 2.88Å; I382-A385 HydrophobicContact CD1-CB 4.32Å; I382-A385 WeakPolarHBondContact O-CB 3.44Å; I382-A385 PolarHBondContact O-N 3.15Å; C383-A385 VanDerWaalsContact C-N 3.32Å; C383-A385 PolarHBondContact O-N 2.92Å; A385-A387 VanDerWaalsContact C-N 3.31Å; A385-A387 PolarHBondContact O-N 2.87Å; A385-R388 PolarHBondContact O-N 3.41Å; A385-D389 PolarHBondContact O-N 3.34Å
386	M	88.7	Confident	86.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-38.8	174.2	-70.8	-171.3	-65.5	0	0	112	A141 W142 F145 I382 C383 D389 G390 F391 I392	A141-M386 HydrophobicContact CB-CG 3.81Å; A141-M386 HydrophobicContact CB-SD 3.71Å; W142-M386 HydrophobicContact CE3-CE 4.44Å; W142-M386 HydrophobicContact CE3-SD 4.36Å; F145-M386 HydrophobicContact CB-CE 3.73Å; F145-M386 HydrophobicContact CD1-CE 3.93Å; F145-M386 HydrophobicContact CD2-CE 4.21Å; F145-M386 HydrophobicContact CG-CE 3.7Å; I382-M386 HydrophobicContact CD1-CG 4.37Å; I382-M386 HydrophobicContact CG1-CE 4.5Å; I382-M386 HydrophobicContact CG1-CG 4.49Å; I382-M386 WeakPolarHBondContact O-CG 3.5Å; I382-M386 PolarHBondContact O-N 3.12Å; C383-M386 HydrophobicContact CB-CE 4.43Å; C383-M386 PolarHBondContact O-N 2.83Å; M386-D389 PolarHBondContact O-N 3.31Å; M386-G390 PolarHBondContact O-N 3.01Å; M386-G390 VanDerWaalsContact O-N 3.08Å; M386-F391 HydrophobicContact CB-CB 4.32Å; M386-F391 HydrophobicContact CB-CD2 4.39Å; M386-F391 HydrophobicContact CG-CD2 4.26Å; M386-F391 PolarHBondContact O-N 3.24Å; M386-I392 HydrophobicContact CB-CD1 4.1Å; M386-I392 HydrophobicContact CB-CG1 4.05Å; M386-I392 HydrophobicContact CB-CG2 4.5Å; M386-I392 HydrophobicContact CE-CD1 4.48Å
387	A	87.4	Confident	86.2	Confident	5 Å²	5	33 Å²	33	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-67.5	-36.7	176.5	0	0	0	0	0	112.1	C383 L384 A385 G390 I392	C383-A387 WeakPolarHBondContact O-CB 3.29Å; C383-A387 PolarHBondContact O-N 2.68Å; L384-A387 PolarHBondContact O-N 3.19Å; A385-A387 VanDerWaalsContact C-N 3.31Å; A385-A387 PolarHBondContact O-N 2.87Å; A387-G390 PolarHBondContact O-N 2.78Å; A387-I392 HydrophobicContact CB-CD1 4.11Å; A387-I392 HydrophobicContact CB-CG1 3.79Å
388	R	83.1	Confident	86	Confident	196 Å²	196	39.9 Å²	39.9	74%	0.74	20%	0.198	S	C	*	.	H	α-helix	trans	-67.4	-40	174	-74.5	175.2	-178.7	-170.2	0	112.5	L384 A385 G390	L384-R388 VanDerWaalsContact O-CG 3.32Å; L384-R388 WeakPolarHBondContact O-CG 3.2Å; L384-R388 PolarHBondContact O-N 3.04Å; A385-R388 PolarHBondContact O-N 3.41Å; R388-G390 PolarHBondContact O-N 3.2Å
389	D	83.5	Confident	85.9	Confident	10 Å²	10	42.9 Å²	42.9	5%	0.053	21%	0.214	C	C	.	.	H	α-helix	trans	-73.5	-11.5	176.1	-73.1	-34.9	0	0	0	112.9	K45 S123 H125 Y129 A385 M386 F391	K45-D389 IonicContact NZ-OD1 2.64Å; K45-D389 PolarHBondContact NZ-OD1 3.16Å; S123-D389 PolarHBondContact OG-OD2 2.62Å; H125-D389 IonicContact CD2-OD2 3.96Å; H125-D389 IonicContact CE1-OD2 3.46Å; H125-D389 PolarHBondContact CE1-OD2 2.93Å; H125-D389 IonicContact NE2-OD2 2.68Å; H125-D389 PolarHBondContact NE2-OD2 3Å; Y129-D389 HydrophobicContact CE1-CB 4.4Å; A385-D389 PolarHBondContact O-N 3.34Å; M386-D389 PolarHBondContact O-N 3.31Å; D389-F391 HydrophobicContact CB-CD2 4.36Å; D389-F391 HydrophobicContact CB-CE2 4.3Å; D389-F391 HydrophobicContact CB-CZ 4.46Å
390	G	84.6	Confident	85.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	5.5	174	0	0	0	0	0	115.2	M386 A387 R388 G626 N629	M386-G390 PolarHBondContact O-N 3.01Å; M386-G390 VanDerWaalsContact O-N 3.08Å; A387-G390 PolarHBondContact O-N 2.78Å; R388-G390 PolarHBondContact O-N 3.2Å; G390-G626 WeakPolarHBondContact O-CA 3.28Å; G390-N629 WeakPolarHBondContact CA-ND2 3.42Å; G390-N629 PolarHBondContact O-ND2 3.05Å
391	F	87.2	Confident	84.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-68.1	-33.8	-178.8	-66	-22.8	0	0	0	114	H125 Y129 E134 A137 F138 M386 D389 Y622 G626	H125-F391 AromaticContact CD2-CE2 3.65Å; H125-F391 AromaticContact NE2-CE2 3.53Å; Y129-F391 HydrophobicContact CD1-CZ 4.01Å; Y129-F391 HydrophobicContact CE1-CE1 4.27Å; Y129-F391 AromaticContact CE1-CZ 3.99Å; Y129-F391 HydrophobicContact CE1-CZ 3.99Å; Y129-F391 HydrophobicContact CG-CZ 4.44Å; E134-F391 HydrophobicContact CG-CE1 3.68Å; E134-F391 HydrophobicContact CG-CZ 4.42Å; A137-F391 HydrophobicContact CB-CZ 4.19Å; F138-F391 HydrophobicContact CD2-CB 3.84Å; F138-F391 HydrophobicContact CD2-CD1 4.49Å; F138-F391 HydrophobicContact CD2-CD2 4.13Å; F138-F391 AromaticContact CD2-CG 3.92Å; F138-F391 HydrophobicContact CD2-CG 3.92Å; F138-F391 HydrophobicContact CE2-CB 4.23Å; M386-F391 HydrophobicContact CB-CB 4.32Å; M386-F391 HydrophobicContact CB-CD2 4.39Å; M386-F391 HydrophobicContact CG-CD2 4.26Å; M386-F391 PolarHBondContact O-N 3.24Å; D389-F391 HydrophobicContact CB-CD2 4.36Å; D389-F391 HydrophobicContact CB-CE2 4.3Å; D389-F391 HydrophobicContact CB-CZ 4.46Å; F391-Y622 HydrophobicContact CD1-CD2 4.49Å; F391-Y622 HydrophobicContact CD1-CE2 4.28Å; F391-G626 WeakPolarHBondContact O-CA 3.4Å
392	I	90	Very high	84	Confident	4 Å²	4	56 Å²	56	2%	0.021	28%	0.275	C	S	.	.	S	Bend	trans	-124.8	157.2	-178.4	64.2	170.9	0	0	0	111.2	W142 C383 M386 A387 F396 I621 Y625	W142-I392 HydrophobicContact CZ3-CG2 4.32Å; C383-I392 WeakPolarHBondContact O-CD1 3.4Å; C383-I392 WeakPolarHBondContact SG-CD1 3.33Å; M386-I392 HydrophobicContact CB-CD1 4.1Å; M386-I392 HydrophobicContact CB-CG1 4.05Å; M386-I392 HydrophobicContact CB-CG2 4.5Å; M386-I392 HydrophobicContact CE-CD1 4.48Å; A387-I392 HydrophobicContact CB-CD1 4.11Å; A387-I392 HydrophobicContact CB-CG1 3.79Å; I392-F396 HydrophobicContact CD1-CB 3.88Å; I392-F396 HydrophobicContact CD1-CD2 4.14Å; I392-F396 HydrophobicContact CD1-CG 4.08Å; I392-I621 HydrophobicContact CG2-CG2 4.22Å; I392-Y625 VanDerWaalsContact O-CE1 3.26Å; I392-Y625 WeakPolarHBondContact O-CE1 3.47Å
393	P	88.7	Confident	83.3	Confident	39 Å²	39	58.7 Å²	58.7	25%	0.253	29%	0.287	S	S	.	.			trans	-55.4	138.4	-178.9	-27.3	35.5	0	0	0	114.2	I395 F396 Y625	P393-I395 HydrophobicContact CB-CG2 4.15Å; P393-I395 PolarHBondContact O-N 3.44Å; P393-F396 HydrophobicContact CB-CD2 4.4Å; P393-F396 WeakPolarHBondContact O-CD2 3.39Å; P393-F396 PolarHBondContact O-N 3.48Å; P393-F396 VanDerWaalsContact O-N 3.09Å; P393-Y625 VanDerWaalsContact CA-CE1 3.45Å; P393-Y625 HydrophobicContact CB-CE1 4.44Å; P393-Y625 HydrophobicContact CG-CD1 4.1Å; P393-Y625 HydrophobicContact CG-CD2 4.38Å; P393-Y625 HydrophobicContact CG-CE1 4.47Å; P393-Y625 HydrophobicContact CG-CG 4.06Å
394	C	84.9	Confident	82.8	Confident	62 Å²	62	67.4 Å²	67.4	42%	0.419	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-59.4	-10.1	178.3	-59.6	0	0	0	0	114.7	F396 S397 R398 Y625	C394-F396 PolarHBondContact O-N 2.93Å; C394-S397 PolarHBondContact O-N 3.49Å; C394-S397 VanDerWaalsContact O-N 3.11Å; C394-S397 PolarHBondContact O-OG 2.89Å; C394-R398 PolarHBondContact O-N 3.4Å; C394-Y625 PolarHBondContact SG-OH 3.2Å; C394-Y625 VanDerWaalsContact SG-OH 3.4Å
395	I	85.3	Confident	82.6	Confident	80 Å²	80	67.9 Å²	67.9	41%	0.41	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-57.9	-31.7	172.4	-156.7	79.2	0	0	0	111.4	P393 R398 M408	P393-I395 HydrophobicContact CB-CG2 4.15Å; P393-I395 PolarHBondContact O-N 3.44Å; I395-R398 PolarHBondContact O-N 2.95Å; I395-M408 HydrophobicContact CG1-CG 4.3Å
396	F	83.6	Confident	82.6	Confident	35 Å²	35	67.3 Å²	67.3	15%	0.154	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-75.6	-23.5	178.7	-70.5	-77.3	0	0	0	113	I392 P393 C394 P406 T409 F412	I392-F396 HydrophobicContact CD1-CB 3.88Å; I392-F396 HydrophobicContact CD1-CD2 4.14Å; I392-F396 HydrophobicContact CD1-CG 4.08Å; P393-F396 HydrophobicContact CB-CD2 4.4Å; P393-F396 WeakPolarHBondContact O-CD2 3.39Å; P393-F396 PolarHBondContact O-N 3.48Å; P393-F396 VanDerWaalsContact O-N 3.09Å; C394-F396 PolarHBondContact O-N 2.93Å; F396-P406 VanDerWaalsContact O-CB 3.23Å; F396-P406 WeakPolarHBondContact O-CB 3.48Å; F396-T409 WeakPolarHBondContact CA-OG1 3.18Å; F396-T409 WeakPolarHBondContact CB-OG1 3.34Å; F396-T409 PolarHBondContact O-OG1 3.26Å; F396-F412 HydrophobicContact CE1-CB 3.9Å; F396-F412 AromaticContact CE1-CD2 3.87Å; F396-F412 HydrophobicContact CE1-CD2 3.87Å; F396-F412 AromaticContact CE1-CG 3.87Å; F396-F412 HydrophobicContact CE1-CG 3.87Å; F396-F412 HydrophobicContact CZ-CD2 4.04Å; F396-F412 HydrophobicContact CZ-CE2 4.43Å; F396-F412 HydrophobicContact CZ-CG 4.49Å
397	S	82.5	Confident	82.6	Confident	40 Å²	40	69.4 Å²	69.4	28%	0.28	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-10.7	174.8	60.9	0	0	0	0	114	C394 V399	C394-S397 PolarHBondContact O-N 3.49Å; C394-S397 VanDerWaalsContact O-N 3.11Å; C394-S397 PolarHBondContact O-OG 2.89Å; S397-V399 PolarHBondContact O-N 3.28Å; S397-V399 VanDerWaalsContact O-N 3.11Å
398	R	82.8	Confident	82.7	Confident	176 Å²	176	73.9 Å²	73.9	66%	0.664	35%	0.351	S	S	*	.			trans	-67.5	111.5	-177.8	-175.8	173.6	-101.4	172.7	-6.4	111.1	C394 I395 P406	C394-R398 PolarHBondContact O-N 3.4Å; I395-R398 PolarHBondContact O-N 2.95Å; R398-P406 WeakPolarHBondContact O-CA 3.28Å
399	V	82.2	Confident	83.1	Confident	84 Å²	84	64.5 Å²	64.5	51%	0.509	32%	0.316	S	S	.	.			trans	-78.1	128.3	177.8	-179.9	0	0	0	0	110.5	S397	S397-V399 PolarHBondContact O-N 3.28Å; S397-V399 VanDerWaalsContact O-N 3.11Å
400	C	77.6	Confident	83.5	Confident	40 Å²	40	64.1 Å²	64.1	27%	0.27	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-84.7	131.7	174.1	-72.7	0	0	0	0	110.9	P402 F403 K404 R405 L407	C400-P402 VanDerWaalsContact C-CD 3.5Å; C400-F403 PolarHBondContact O-N 3.1Å; C400-K404 PolarHBondContact O-N 3.36Å; C400-R405 PolarHBondContact N-O 3.45Å; C400-L407 HydrophobicContact CB-CB 4.1Å; C400-L407 VanDerWaalsContact SG-CB 3.57Å
401	R	71.8	Confident	83.8	Confident	238 Å²	238	67.8 Å²	67.8	90%	0.898	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-37.9	-175.5	-69.7	-174.3	179.4	177.3	-0.4	116.1
402	P	74	Confident	84.1	Confident	109 Å²	109	69.3 Å²	69.3	71%	0.708	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-34	179.5	23.8	-32.2	0	0	0	113.3	C400	C400-P402 VanDerWaalsContact C-CD 3.5Å
403	F	73.4	Confident	84.3	Confident	61 Å²	61	69.1 Å²	69.1	27%	0.268	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-14.1	-172	-64.6	-64.5	0	0	0	114.2	C209 F210 C400 R405 L407	C209-F403 HydrophobicContact CB-CD1 4.24Å; C209-F403 HydrophobicContact CB-CE1 4.38Å; C209-F403 WeakPolarHBondContact O-CB 3.28Å; C209-F403 WeakPolarHBondContact O-CD1 3.42Å; F210-F403 HydrophobicContact CD1-CD1 4.39Å; F210-F403 AromaticContact CD1-CE1 3.89Å; F210-F403 HydrophobicContact CD1-CE1 3.89Å; F210-F403 AromaticContact CE1-CE1 3.84Å; F210-F403 HydrophobicContact CE1-CE1 3.84Å; F210-F403 HydrophobicContact CZ-CE1 4.45Å; C400-F403 PolarHBondContact O-N 3.1Å; F403-R405 PolarHBondContact O-N 2.89Å; F403-L407 HydrophobicContact CD2-CD1 3.91Å; F403-L407 HydrophobicContact CE2-CD1 3.94Å
404	K	78.9	Confident	84.6	Confident	183 Å²	183	68.2 Å²	68.2	80%	0.796	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	29.5	-170.3	-58.9	-176.8	-179.6	-179.1	0	112.8	C400	C400-K404 PolarHBondContact O-N 3.36Å
405	R	79.9	Confident	85.1	Confident	46 Å²	46	69.9 Å²	69.9	17%	0.174	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-134.7	156	177.7	-72.9	-168.9	178.4	-164.5	6	111.9	C208 L212 C400 F403 L407 I410	C208-R405 WeakPolarHBondContact O-CD 3.12Å; C208-R405 PolarHBondContact O-NH1 3.18Å; L212-R405 PolarHBondContact O-NH2 3.47Å; C400-R405 PolarHBondContact N-O 3.45Å; F403-R405 PolarHBondContact O-N 2.89Å; R405-L407 PolarHBondContact O-N 3.49Å; R405-I410 HydrophobicContact CB-CD1 3.94Å
406	P	85.6	Confident	85.6	Confident	6 Å²	6	68.4 Å²	68.4	4%	0.039	33%	0.325	C	S	.	.			trans	-73.5	92.1	177.1	31.8	-37.8	0	0	0	111.2	I380 L384 F396 R398 M408 T409 I410	I380-P406 HydrophobicContact CG2-CG 3.84Å; L384-P406 HydrophobicContact CD1-CG 4.18Å; L384-P406 HydrophobicContact CD2-CB 4.05Å; L384-P406 HydrophobicContact CD2-CG 3.86Å; L384-P406 HydrophobicContact CG-CG 4.17Å; F396-P406 VanDerWaalsContact O-CB 3.23Å; F396-P406 WeakPolarHBondContact O-CB 3.48Å; R398-P406 WeakPolarHBondContact O-CA 3.28Å; P406-M408 VanDerWaalsContact C-N 3.34Å; P406-M408 PolarHBondContact O-N 2.95Å; P406-T409 WeakPolarHBondContact O-CB 3.45Å; P406-T409 PolarHBondContact O-N 3.44Å; P406-I410 PolarHBondContact O-N 3.23Å
407	L	88.3	Confident	86.2	Confident	44 Å²	44	66.7 Å²	66.7	23%	0.23	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-39.9	-173.2	-179.3	143.5	0	0	0	112.8	C400 F403 R405 T409 I410 I411	C400-L407 HydrophobicContact CB-CB 4.1Å; C400-L407 VanDerWaalsContact SG-CB 3.57Å; F403-L407 HydrophobicContact CD2-CD1 3.91Å; F403-L407 HydrophobicContact CE2-CD1 3.94Å; R405-L407 PolarHBondContact O-N 3.49Å; L407-T409 VanDerWaalsContact C-N 3.32Å; L407-T409 PolarHBondContact O-N 3.24Å; L407-I410 PolarHBondContact O-N 2.98Å; L407-I411 HydrophobicContact CD2-CD1 3.38Å; L407-I411 HydrophobicContact CD2-CG1 4.21Å; L407-I411 HydrophobicContact CG-CD1 4.13Å; L407-I411 WeakPolarHBondContact O-CG1 3.47Å; L407-I411 PolarHBondContact O-N 3.5Å
408	M	89.2	Confident	86.9	Confident	98 Å²	98	65.6 Å²	65.6	48%	0.483	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-38.3	178.7	-67.8	-59.9	-179	0	0	112.6	I395 P406 F412	I395-M408 HydrophobicContact CG1-CG 4.3Å; P406-M408 VanDerWaalsContact C-N 3.34Å; P406-M408 PolarHBondContact O-N 2.95Å; M408-F412 WeakPolarHBondContact O-CB 3.3Å; M408-F412 PolarHBondContact O-N 3.3Å
409	T	90.7	Very high	87.5	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-44.7	174.5	-68.3	0	0	0	0	111.3	I380 C383 F396 P406 L407 F412 I413	I380-T409 HydrophobicContact CG1-CG2 4.47Å; I380-T409 HydrophobicContact CG2-CG2 4.38Å; C383-T409 HydrophobicContact CB-CG2 3.66Å; C383-T409 VanDerWaalsContact SG-CG2 3.59Å; F396-T409 WeakPolarHBondContact CA-OG1 3.18Å; F396-T409 WeakPolarHBondContact CB-OG1 3.34Å; F396-T409 PolarHBondContact O-OG1 3.26Å; P406-T409 WeakPolarHBondContact O-CB 3.45Å; P406-T409 PolarHBondContact O-N 3.44Å; L407-T409 VanDerWaalsContact C-N 3.32Å; L407-T409 PolarHBondContact O-N 3.24Å; T409-F412 PolarHBondContact O-N 2.8Å; T409-I413 HydrophobicContact CG2-CD1 3.58Å; T409-I413 HydrophobicContact CG2-CG1 4.49Å; T409-I413 VanDerWaalsContact O-CD1 3.29Å; T409-I413 WeakPolarHBondContact O-CD1 3.16Å; T409-I413 VanDerWaalsContact O-CG1 3.23Å; T409-I413 WeakPolarHBondContact O-CG1 3.47Å; T409-I413 PolarHBondContact O-N 3.48Å
410	I	91.6	Very high	88.1	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-45.6	179.2	-62.7	169	0	0	0	110.7	C209 I380 R405 P406 L407 F412 I413 I414	C209-I410 VanDerWaalsContact SG-CG2 3.51Å; I380-I410 HydrophobicContact CD1-CD1 4.32Å; I380-I410 HydrophobicContact CD1-CG1 3.81Å; I380-I410 HydrophobicContact CG1-CG1 4.2Å; R405-I410 HydrophobicContact CB-CD1 3.94Å; P406-I410 PolarHBondContact O-N 3.23Å; L407-I410 PolarHBondContact O-N 2.98Å; I410-F412 VanDerWaalsContact C-N 3.34Å; I410-F412 PolarHBondContact O-N 3.39Å; I410-I413 PolarHBondContact O-N 2.89Å; I410-I414 HydrophobicContact CG2-CD1 3.59Å; I410-I414 HydrophobicContact CG2-CG1 4.2Å; I410-I414 VanDerWaalsContact O-CG1 3.28Å; I410-I414 WeakPolarHBondContact O-CG1 3.36Å; I410-I414 PolarHBondContact O-N 2.96Å
411	I	92.5	Very high	88.9	Confident	76 Å²	76	55.7 Å²	55.7	39%	0.39	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-47.4	176.8	-70.9	178.9	0	0	0	110.8	L407 I413 I414 I415	L407-I411 HydrophobicContact CD2-CD1 3.38Å; L407-I411 HydrophobicContact CD2-CG1 4.21Å; L407-I411 HydrophobicContact CG-CD1 4.13Å; L407-I411 WeakPolarHBondContact O-CG1 3.47Å; L407-I411 PolarHBondContact O-N 3.5Å; I411-I413 VanDerWaalsContact C-N 3.34Å; I411-I413 PolarHBondContact O-N 3.29Å; I411-I414 PolarHBondContact O-N 3.42Å; I411-I415 HydrophobicContact CG2-CD1 3.58Å; I411-I415 HydrophobicContact CG2-CG1 4.29Å; I411-I415 VanDerWaalsContact O-CG1 3.28Å; I411-I415 WeakPolarHBondContact O-CG1 3.27Å; I411-I415 PolarHBondContact O-N 2.97Å
412	F	93.2	Very high	90	Very high	33 Å²	33	45.6 Å²	45.6	15%	0.145	23%	0.228	C	C	.	.	H	α-helix	trans	-56.8	-48.1	177.6	179.4	-82.5	0	0	0	111.6	F145 I149 F396 M408 T409 I410 I415 F416 W614 F617	F145-F412 HydrophobicContact CE1-CD1 4.18Å; F145-F412 AromaticContact CE1-CE1 3.54Å; F145-F412 HydrophobicContact CE1-CE1 3.54Å; F145-F412 HydrophobicContact CE1-CZ 4.38Å; F145-F412 AromaticContact CZ-CD1 3.84Å; F145-F412 HydrophobicContact CZ-CD1 3.84Å; F145-F412 AromaticContact CZ-CE1 3.67Å; F145-F412 HydrophobicContact CZ-CE1 3.67Å; I149-F412 HydrophobicContact CD1-CE1 4.3Å; F396-F412 HydrophobicContact CE1-CB 3.9Å; F396-F412 AromaticContact CE1-CD2 3.87Å; F396-F412 HydrophobicContact CE1-CD2 3.87Å; F396-F412 AromaticContact CE1-CG 3.87Å; F396-F412 HydrophobicContact CE1-CG 3.87Å; F396-F412 HydrophobicContact CZ-CD2 4.04Å; F396-F412 HydrophobicContact CZ-CE2 4.43Å; F396-F412 HydrophobicContact CZ-CG 4.49Å; M408-F412 WeakPolarHBondContact O-CB 3.3Å; M408-F412 PolarHBondContact O-N 3.3Å; T409-F412 PolarHBondContact O-N 2.8Å; I410-F412 VanDerWaalsContact C-N 3.34Å; I410-F412 PolarHBondContact O-N 3.39Å; F412-I415 PolarHBondContact O-N 3.37Å; F412-F416 HydrophobicContact CD1-CD2 4.01Å; F412-F416 HydrophobicContact CD1-CE2 4.49Å; F412-F416 HydrophobicContact CD2-CD2 4.08Å; F412-F416 AromaticContact CD2-CE2 3.81Å; F412-F416 HydrophobicContact CD2-CE2 3.81Å; F412-F416 AromaticContact CE1-CD2 3.67Å; F412-F416 HydrophobicContact CE1-CD2 3.67Å; F412-F416 HydrophobicContact CE1-CE2 4.02Å; F412-F416 AromaticContact CE2-CD2 3.79Å; F412-F416 HydrophobicContact CE2-CD2 3.79Å; F412-F416 AromaticContact CE2-CE2 3.29Å; F412-F416 HydrophobicContact CE2-CE2 3.29Å; F412-F416 HydrophobicContact CE2-CZ 4.32Å; F412-F416 HydrophobicContact CG-CD2 4.19Å; F412-F416 HydrophobicContact CG-CE2 4.39Å; F412-F416 AromaticContact CZ-CD2 3.56Å; F412-F416 HydrophobicContact CZ-CD2 3.56Å; F412-F416 AromaticContact CZ-CE2 3.39Å; F412-F416 HydrophobicContact CZ-CE2 3.39Å; F412-F416 HydrophobicContact CZ-CZ 4.36Å; F412-F416 WeakPolarHBondContact O-CD2 3.45Å; F412-F416 PolarHBondContact O-N 3.05Å; F412-W614 HydrophobicContact CZ-CH2 4.33Å; F412-W614 HydrophobicContact CZ-CZ2 4.39Å; F412-F617 HydrophobicContact CE2-CE1 4.33Å; F412-F617 HydrophobicContact CZ-CE1 4.2Å
413	I	93.8	Very high	91	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-47	179.6	-67.3	157.2	0	0	0	110.6	F145 I149 M376 S379 I380 T409 I410 I411 I415 F416 T417	F145-I413 HydrophobicContact CE2-CD1 4.29Å; F145-I413 HydrophobicContact CE2-CG1 3.98Å; F145-I413 HydrophobicContact CZ-CG1 4.13Å; I149-I413 HydrophobicContact CG1-CG2 4.44Å; M376-I413 HydrophobicContact CE-CG2 4.49Å; M376-I413 HydrophobicContact SD-CG2 3.46Å; M376-I413 WeakPolarHBondContact SD-CG2 3.5Å; S379-I413 WeakPolarHBondContact OG-CD1 3.25Å; I380-I413 HydrophobicContact CG1-CD1 3.7Å; T409-I413 HydrophobicContact CG2-CD1 3.58Å; T409-I413 HydrophobicContact CG2-CG1 4.49Å; T409-I413 VanDerWaalsContact O-CD1 3.29Å; T409-I413 WeakPolarHBondContact O-CD1 3.16Å; T409-I413 VanDerWaalsContact O-CG1 3.23Å; T409-I413 WeakPolarHBondContact O-CG1 3.47Å; T409-I413 PolarHBondContact O-N 3.48Å; I410-I413 PolarHBondContact O-N 2.89Å; I411-I413 VanDerWaalsContact C-N 3.34Å; I411-I413 PolarHBondContact O-N 3.29Å; I413-I415 PolarHBondContact O-N 3.16Å; I413-F416 PolarHBondContact O-N 2.79Å; I413-T417 WeakPolarHBondContact O-CB 3.45Å; I413-T417 PolarHBondContact O-N 3.26Å; I413-T417 PolarHBondContact O-OG1 2.98Å
414	I	95.2	Very high	91.9	Very high	19 Å²	19	41.3 Å²	41.3	10%	0.097	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-48.6	179.5	-69	167.4	0	0	0	110.6	F202 G205 I410 I411 F416 T417 C418	F202-I414 HydrophobicContact CD2-CG2 4.19Å; G205-I414 VanDerWaalsContact CA-CD1 3.48Å; I410-I414 HydrophobicContact CG2-CD1 3.59Å; I410-I414 HydrophobicContact CG2-CG1 4.2Å; I410-I414 VanDerWaalsContact O-CG1 3.28Å; I410-I414 WeakPolarHBondContact O-CG1 3.36Å; I410-I414 PolarHBondContact O-N 2.96Å; I411-I414 PolarHBondContact O-N 3.42Å; I414-F416 PolarHBondContact O-N 3.2Å; I414-T417 PolarHBondContact O-N 2.96Å; I414-C418 VanDerWaalsContact O-CB 3.31Å; I414-C418 WeakPolarHBondContact O-CB 3.47Å; I414-C418 PolarHBondContact O-N 3.45Å; I414-C418 PolarHBondContact O-SG 2.66Å
415	I	95.6	Very high	92.5	Very high	98 Å²	98	33.3 Å²	33.3	50%	0.503	17%	0.167	S	C	.	.	H	α-helix	trans	-57.3	-52.7	-178.1	-71.1	169.5	0	0	0	110.7	I411 F412 I413 C418 L419	I411-I415 HydrophobicContact CG2-CD1 3.58Å; I411-I415 HydrophobicContact CG2-CG1 4.29Å; I411-I415 VanDerWaalsContact O-CG1 3.28Å; I411-I415 WeakPolarHBondContact O-CG1 3.27Å; I411-I415 PolarHBondContact O-N 2.97Å; F412-I415 PolarHBondContact O-N 3.37Å; I413-I415 PolarHBondContact O-N 3.16Å; I415-C418 PolarHBondContact O-N 2.98Å; I415-L419 VanDerWaalsContact O-CB 3.3Å; I415-L419 WeakPolarHBondContact O-CB 3.25Å; I415-L419 PolarHBondContact O-N 3.48Å
416	F	95.2	Very high	93.1	Very high	48 Å²	48	31.1 Å²	31.1	21%	0.211	16%	0.159	C	C	.	.	H	α-helix	trans	-70.2	-36.5	-177.7	-80.1	-71.3	0	0	0	112.8	I149 F412 I413 I414 L419 F420 W614	I149-F416 HydrophobicContact CG2-CB 4.19Å; F412-F416 HydrophobicContact CD1-CD2 4.01Å; F412-F416 HydrophobicContact CD1-CE2 4.49Å; F412-F416 HydrophobicContact CD2-CD2 4.08Å; F412-F416 AromaticContact CD2-CE2 3.81Å; F412-F416 HydrophobicContact CD2-CE2 3.81Å; F412-F416 AromaticContact CE1-CD2 3.67Å; F412-F416 HydrophobicContact CE1-CD2 3.67Å; F412-F416 HydrophobicContact CE1-CE2 4.02Å; F412-F416 AromaticContact CE2-CD2 3.79Å; F412-F416 HydrophobicContact CE2-CD2 3.79Å; F412-F416 AromaticContact CE2-CE2 3.29Å; F412-F416 HydrophobicContact CE2-CE2 3.29Å; F412-F416 HydrophobicContact CE2-CZ 4.32Å; F412-F416 HydrophobicContact CG-CD2 4.19Å; F412-F416 HydrophobicContact CG-CE2 4.39Å; F412-F416 AromaticContact CZ-CD2 3.56Å; F412-F416 HydrophobicContact CZ-CD2 3.56Å; F412-F416 AromaticContact CZ-CE2 3.39Å; F412-F416 HydrophobicContact CZ-CE2 3.39Å; F412-F416 HydrophobicContact CZ-CZ 4.36Å; F412-F416 WeakPolarHBondContact O-CD2 3.45Å; F412-F416 PolarHBondContact O-N 3.05Å; I413-F416 PolarHBondContact O-N 2.79Å; I414-F416 PolarHBondContact O-N 3.2Å; F416-L419 PolarHBondContact O-N 2.73Å; F416-F420 HydrophobicContact CB-CD2 4.46Å; F416-F420 HydrophobicContact CB-CE2 4.33Å; F416-F420 HydrophobicContact CD1-CE2 4.45Å; F416-F420 WeakPolarHBondContact O-CB 3.42Å; F416-F420 WeakPolarHBondContact O-CD2 3.49Å; F416-F420 WeakPolarHBondContact O-CG 3.4Å; F416-F420 PolarHBondContact O-N 2.93Å; F416-W614 HydrophobicContact CB-CH2 4.12Å; F416-W614 AromaticContact CD1-CH2 3.5Å; F416-W614 HydrophobicContact CD1-CH2 3.5Å; F416-W614 VanDerWaalsContact CD1-CH2 3.5Å; F416-W614 AromaticContact CD1-CZ3 3.31Å; F416-W614 HydrophobicContact CD1-CZ3 3.31Å; F416-W614 AromaticContact CD2-CH2 3.9Å; F416-W614 HydrophobicContact CD2-CH2 3.9Å; F416-W614 AromaticContact CE1-CH2 3.75Å; F416-W614 HydrophobicContact CE1-CH2 3.75Å; F416-W614 AromaticContact CE1-CZ3 3.41Å; F416-W614 HydrophobicContact CE1-CZ3 3.41Å; F416-W614 VanDerWaalsContact CE1-CZ3 3.41Å; F416-W614 HydrophobicContact CE2-CH2 4.17Å; F416-W614 AromaticContact CG-CH2 3.55Å; F416-W614 HydrophobicContact CG-CH2 3.55Å; F416-W614 AromaticContact CG-CZ3 3.9Å; F416-W614 HydrophobicContact CG-CZ3 3.9Å; F416-W614 HydrophobicContact CZ-CH2 4.08Å; F416-W614 HydrophobicContact CZ-CZ3 4.1Å
417	T	96	Very high	93.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.6	-45.4	176.8	-54.9	0	0	0	0	111.2	V152 S153 I201 I413 I414 F420 S421	V152-T417 HydrophobicContact CB-CG2 3.57Å; V152-T417 HydrophobicContact CG1-CG2 3.47Å; V152-T417 VanDerWaalsContact CG1-CG2 3.47Å; S153-T417 WeakPolarHBondContact OG-CA 3.48Å; S153-T417 VanDerWaalsContact OG-CG2 3.28Å; S153-T417 WeakPolarHBondContact OG-CG2 3.46Å; S153-T417 PolarHBondContact OG-O 3.02Å; I201-T417 HydrophobicContact CD1-CG2 3.71Å; I201-T417 HydrophobicContact CG1-CG2 4.07Å; I201-T417 HydrophobicContact CG2-CG2 3.84Å; I413-T417 WeakPolarHBondContact O-CB 3.45Å; I413-T417 PolarHBondContact O-N 3.26Å; I413-T417 PolarHBondContact O-OG1 2.98Å; I414-T417 PolarHBondContact O-N 2.96Å; T417-F420 PolarHBondContact O-N 3.06Å; T417-S421 WeakPolarHBondContact O-CB 3.33Å; T417-S421 PolarHBondContact O-N 2.94Å; T417-S421 PolarHBondContact O-OG 2.93Å
418	C	96.8	Very high	93.4	Very high	16 Å²	16	32 Å²	32	11%	0.108	16%	0.161	C	C	.	.	H	α-helix	trans	-65.5	-38.8	175.9	-70.7	0	0	0	0	112	T198 I201 I414 I415 S421 T422	T198-C418 HydrophobicContact CG2-CB 3.95Å; I201-C418 WeakPolarHBondContact CG2-SG 3.37Å; I414-C418 VanDerWaalsContact O-CB 3.31Å; I414-C418 WeakPolarHBondContact O-CB 3.47Å; I414-C418 PolarHBondContact O-N 3.45Å; I414-C418 PolarHBondContact O-SG 2.66Å; I415-C418 PolarHBondContact O-N 2.98Å; C418-S421 PolarHBondContact O-OG 2.83Å; C418-T422 WeakPolarHBondContact O-CB 3.43Å; C418-T422 PolarHBondContact O-N 3.11Å; C418-T422 PolarHBondContact O-OG1 3.41Å
419	L	95.3	Very high	93.6	Very high	77 Å²	77	27.3 Å²	27.3	40%	0.403	14%	0.138	S	C	.	.	H	α-helix	trans	-62.6	-48.9	176.3	-178.9	144.9	0	0	0	110.7	I415 F416 T422 I423	I415-L419 VanDerWaalsContact O-CB 3.3Å; I415-L419 WeakPolarHBondContact O-CB 3.25Å; I415-L419 PolarHBondContact O-N 3.48Å; F416-L419 PolarHBondContact O-N 2.73Å; L419-T422 PolarHBondContact O-N 3.42Å; L419-I423 HydrophobicContact CD2-CD1 4.05Å; L419-I423 HydrophobicContact CG-CD1 3.86Å; L419-I423 WeakPolarHBondContact O-CB 3.49Å; L419-I423 VanDerWaalsContact O-CG1 3.31Å; L419-I423 WeakPolarHBondContact O-CG1 3.25Å; L419-I423 PolarHBondContact O-N 2.87Å
420	F	95.4	Very high	93.6	Very high	16 Å²	16	27.5 Å²	27.5	7%	0.07	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-42.7	178.4	-74.5	-50.7	0	0	0	112.2	I149 L150 S153 F416 T417 F424 L429 F432 W614	I149-F420 HydrophobicContact CG2-CD2 3.75Å; I149-F420 HydrophobicContact CG2-CE2 4.04Å; L150-F420 HydrophobicContact CD2-CB 4.47Å; L150-F420 HydrophobicContact CD2-CD1 4.34Å; L150-F420 HydrophobicContact CD2-CD2 3.98Å; L150-F420 HydrophobicContact CD2-CE2 4.27Å; L150-F420 HydrophobicContact CD2-CG 4.03Å; S153-F420 WeakPolarHBondContact OG-CB 3.34Å; F416-F420 HydrophobicContact CB-CD2 4.46Å; F416-F420 HydrophobicContact CB-CE2 4.33Å; F416-F420 HydrophobicContact CD1-CE2 4.45Å; F416-F420 WeakPolarHBondContact O-CB 3.42Å; F416-F420 WeakPolarHBondContact O-CD2 3.49Å; F416-F420 WeakPolarHBondContact O-CG 3.4Å; F416-F420 PolarHBondContact O-N 2.93Å; T417-F420 PolarHBondContact O-N 3.06Å; F420-F424 AromaticContact CD1-CD2 3.75Å; F420-F424 HydrophobicContact CD1-CD2 3.75Å; F420-F424 AromaticContact CD1-CE2 3.62Å; F420-F424 HydrophobicContact CD1-CE2 3.62Å; F420-F424 HydrophobicContact CE1-CE2 4.06Å; F420-F424 WeakPolarHBondContact O-CB 3.09Å; F420-F424 PolarHBondContact O-N 3.28Å; F420-F424 VanDerWaalsContact O-N 3.12Å; F420-L429 HydrophobicContact CB-CD2 4.04Å; F420-F432 HydrophobicContact CE1-CE1 4.11Å; F420-F432 HydrophobicContact CZ-CE1 4.25Å; F420-W614 HydrophobicContact CE2-CE3 4.18Å; F420-W614 HydrophobicContact CE2-CH2 4.27Å; F420-W614 AromaticContact CE2-CZ3 3.79Å; F420-W614 HydrophobicContact CE2-CZ3 3.79Å; F420-W614 AromaticContact CZ-CE3 3.71Å; F420-W614 HydrophobicContact CZ-CE3 3.71Å; F420-W614 AromaticContact CZ-CZ3 3.68Å; F420-W614 HydrophobicContact CZ-CZ3 3.68Å
421	S	95.2	Very high	93.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-41.4	177.5	75.2	0	0	0	0	111	R157 S197 I201 T417 C418 I423	R157-S421 PolarHBondContact NE-O 3.34Å; R157-S421 PolarHBondContact NH2-O 3.4Å; S197-S421 VanDerWaalsContact OG-CB 3.29Å; S197-S421 WeakPolarHBondContact OG-CB 3.46Å; S197-S421 PolarHBondContact OG-OG 2.97Å; I201-S421 WeakPolarHBondContact CD1-OG 3.3Å; T417-S421 WeakPolarHBondContact O-CB 3.33Å; T417-S421 PolarHBondContact O-N 2.94Å; T417-S421 PolarHBondContact O-OG 2.93Å; C418-S421 PolarHBondContact O-OG 2.83Å; S421-I423 PolarHBondContact O-N 2.97Å
422	T	95	Very high	93.5	Very high	26 Å²	26	25 Å²	25	16%	0.16	13%	0.129	C	C	.	.	H	α-helix	trans	-65.5	-40.5	-178.9	-53.8	0	0	0	0	112.1	R157 P193 D194 T198 C418 L419	R157-T422 PolarHBondContact NH2-O 2.84Å; P193-T422 WeakPolarHBondContact CA-O 3.2Å; P193-T422 HydrophobicContact CB-CG2 3.66Å; D194-T422 PolarHBondContact N-O 2.86Å; T198-T422 PolarHBondContact OG1-OG1 2.98Å; C418-T422 WeakPolarHBondContact O-CB 3.43Å; C418-T422 PolarHBondContact O-N 3.11Å; C418-T422 PolarHBondContact O-OG1 3.41Å; L419-T422 PolarHBondContact O-N 3.42Å
423	I	93.9	Very high	93.5	Very high	56 Å²	56	23.5 Å²	23.5	29%	0.287	12%	0.123	S	C	.	.	H	α-helix	trans	-89.6	-38.6	-166.3	-64.7	174.9	0	0	0	113.1	L189 S190 L419 S421	L189-I423 HydrophobicContact CD2-CG2 3.48Å; L189-I423 VanDerWaalsContact CD2-CG2 3.48Å; S190-I423 WeakPolarHBondContact CB-O 3.12Å; S190-I423 PolarHBondContact N-O 3.42Å; L419-I423 HydrophobicContact CD2-CD1 4.05Å; L419-I423 HydrophobicContact CG-CD1 3.86Å; L419-I423 WeakPolarHBondContact O-CB 3.49Å; L419-I423 VanDerWaalsContact O-CG1 3.31Å; L419-I423 WeakPolarHBondContact O-CG1 3.25Å; L419-I423 PolarHBondContact O-N 2.87Å; S421-I423 PolarHBondContact O-N 2.97Å
424	F	93.5	Very high	93.4	Very high	24 Å²	24	23.7 Å²	23.7	11%	0.105	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-105.8	140.7	-168.3	-68.8	-71.9	0	0	0	113.3	R157 L188 L189 F420 S428 L429	R157-F424 PolarHBondContact NE-O 3.26Å; R157-F424 PolarHBondContact NH2-O 2.97Å; L188-F424 HydrophobicContact CD2-CE1 4.45Å; L189-F424 HydrophobicContact CD2-CD1 4.15Å; L189-F424 HydrophobicContact CD2-CE1 3.88Å; F420-F424 AromaticContact CD1-CD2 3.75Å; F420-F424 HydrophobicContact CD1-CD2 3.75Å; F420-F424 AromaticContact CD1-CE2 3.62Å; F420-F424 HydrophobicContact CD1-CE2 3.62Å; F420-F424 HydrophobicContact CE1-CE2 4.06Å; F420-F424 WeakPolarHBondContact O-CB 3.09Å; F420-F424 PolarHBondContact O-N 3.28Å; F420-F424 VanDerWaalsContact O-N 3.12Å; F424-S428 WeakPolarHBondContact CB-OG 3.49Å; F424-L429 HydrophobicContact CB-CD1 4.38Å; F424-L429 HydrophobicContact CB-CD2 3.8Å; F424-L429 HydrophobicContact CB-CG 3.76Å; F424-L429 HydrophobicContact CD2-CD2 4.41Å; F424-L429 HydrophobicContact CG-CD2 4.4Å
425	T	91.7	Very high	93.3	Very high	15 Å²	15	22.8 Å²	22.8	9%	0.092	12%	0.119	C	C	.	.			trans	-60.4	156.1	171.1	58.8	0	0	0	0	111.9	Q427 S428 L429	T425-Q427 VanDerWaalsContact C-N 3.28Å; T425-Q427 PolarHBondContact O-N 2.81Å; T425-S428 PolarHBondContact O-N 3.24Å; T425-S428 PolarHBondContact O-OG 3.3Å; T425-S428 WeakPolarHBondContact OG1-CB 3.4Å; T425-S428 PolarHBondContact OG1-N 3.06Å; T425-L429 WeakPolarHBondContact O-CG 3.07Å; T425-L429 PolarHBondContact O-N 3.48Å
426	A	91.2	Very high	93	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.5	-40.7	177.3	0	0	0	0	0	111.5	V79 L154 R157 L429 A430	V79-A426 HydrophobicContact CG1-CB 4.02Å; V79-A426 HydrophobicContact CG2-CB 3.69Å; L154-A426 HydrophobicContact CD1-CB 4.11Å; L154-A426 WeakPolarHBondContact CD1-O 3.37Å; R157-A426 HydrophobicContact CB-CB 4.09Å; A426-L429 PolarHBondContact O-N 3.38Å; A426-A430 WeakPolarHBondContact O-CB 3.32Å; A426-A430 PolarHBondContact O-N 3.33Å
427	Q	90.1	Very high	92.8	Very high	61 Å²	61	16.1 Å²	16.1	29%	0.285	9%	0.088	S	C	.	.	H	α-helix	trans	-61.8	-44.8	176.5	-176.1	-175.8	5.2	0	0	112	V79 S83 T425 L429 A430 S431	V79-Q427 HydrophobicContact CG1-CB 4.29Å; S83-Q427 PolarHBondContact OG-NE2 3.2Å; T425-Q427 VanDerWaalsContact C-N 3.28Å; T425-Q427 PolarHBondContact O-N 2.81Å; Q427-L429 VanDerWaalsContact C-N 3.34Å; Q427-L429 PolarHBondContact O-N 3.28Å; Q427-A430 PolarHBondContact O-N 2.93Å; Q427-S431 PolarHBondContact O-N 3.07Å
428	S	90.8	Very high	92.7	Very high	6 Å²	6	16.1 Å²	16.1	4%	0.042	9%	0.088	C	C	.	.	H	α-helix	trans	-69.9	-34.2	-179.3	96	0	0	0	0	112	L188 F424 T425 S431 F432 R610	L188-S428 PolarHBondContact O-OG 3.45Å; F424-S428 WeakPolarHBondContact CB-OG 3.49Å; T425-S428 PolarHBondContact O-N 3.24Å; T425-S428 PolarHBondContact O-OG 3.3Å; T425-S428 WeakPolarHBondContact OG1-CB 3.4Å; T425-S428 PolarHBondContact OG1-N 3.06Å; S428-S431 PolarHBondContact O-N 2.79Å; S428-S431 PolarHBondContact O-OG 2.97Å; S428-F432 WeakPolarHBondContact O-CB 3.29Å; S428-F432 PolarHBondContact O-N 3.03Å; S428-R610 PolarHBondContact O-NH1 3.36Å; S428-R610 PolarHBondContact O-NH2 3.29Å; S428-R610 PolarHBondContact OG-NH1 2.91Å
429	L	92.6	Very high	92.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.5	-44.2	173.3	-72.1	170	0	0	0	111.3	L150 L154 R157 F420 F424 T425 A426 Q427 S431 F432 L433	L150-L429 HydrophobicContact CD2-CD2 3.91Å; L154-L429 HydrophobicContact CB-CB 4.39Å; L154-L429 HydrophobicContact CD1-CB 4.26Å; R157-L429 HydrophobicContact CB-CD1 4.5Å; R157-L429 HydrophobicContact CG-CD1 3.78Å; F420-L429 HydrophobicContact CB-CD2 4.04Å; F424-L429 HydrophobicContact CB-CD1 4.38Å; F424-L429 HydrophobicContact CB-CD2 3.8Å; F424-L429 HydrophobicContact CB-CG 3.76Å; F424-L429 HydrophobicContact CD2-CD2 4.41Å; F424-L429 HydrophobicContact CG-CD2 4.4Å; T425-L429 WeakPolarHBondContact O-CG 3.07Å; T425-L429 PolarHBondContact O-N 3.48Å; A426-L429 PolarHBondContact O-N 3.38Å; Q427-L429 VanDerWaalsContact C-N 3.34Å; Q427-L429 PolarHBondContact O-N 3.28Å; L429-S431 PolarHBondContact O-N 3.43Å; L429-F432 PolarHBondContact O-N 3.5Å; L429-F432 VanDerWaalsContact O-N 3.15Å; L429-L433 WeakPolarHBondContact O-CB 3.45Å; L429-L433 PolarHBondContact O-N 3.37Å
430	A	91.3	Very high	92.3	Very high	4 Å²	4	13.2 Å²	13.2	3%	0.033	7%	0.072	C	C	.	.	H	α-helix	trans	-59.3	-44.4	174.8	0	0	0	0	0	112.5	L154 N277 A426 Q427 F432 L433 S434	L154-A430 HydrophobicContact CD1-CB 4.26Å; L154-A430 HydrophobicContact CD2-CB 4.17Å; N277-A430 VanDerWaalsContact ND2-CB 3.34Å; N277-A430 WeakPolarHBondContact ND2-CB 3.48Å; N277-A430 PolarHBondContact OD1-O 3.4Å; A426-A430 WeakPolarHBondContact O-CB 3.32Å; A426-A430 PolarHBondContact O-N 3.33Å; Q427-A430 PolarHBondContact O-N 2.93Å; A430-F432 VanDerWaalsContact C-N 3.26Å; A430-F432 PolarHBondContact O-N 3.28Å; A430-L433 PolarHBondContact O-N 3.29Å; A430-S434 PolarHBondContact O-N 3.26Å; A430-S434 PolarHBondContact O-OG 3.24Å
431	S	90.4	Very high	92.2	Very high	24 Å²	24	12.7 Å²	12.7	17%	0.168	7%	0.07	C	C	.	.	H	α-helix	trans	-67.2	-25.8	176.2	73.7	0	0	0	0	113.7	Q427 S428 L429 S434 S607 R610	Q427-S431 PolarHBondContact O-N 3.07Å; S428-S431 PolarHBondContact O-N 2.79Å; S428-S431 PolarHBondContact O-OG 2.97Å; L429-S431 PolarHBondContact O-N 3.43Å; S431-S434 WeakPolarHBondContact CA-OG 3.47Å; S431-S434 PolarHBondContact O-OG 3.26Å; S431-S607 PolarHBondContact O-OG 3.19Å; S431-S607 PolarHBondContact OG-OG 3.41Å; S431-S607 VanDerWaalsContact OG-OG 3.09Å; S431-R610 PolarHBondContact OG-NH2 3.25Å
432	F	91.8	Very high	92.1	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.009	7%	0.074	C	C	.	.	H	α-helix	trans	-80.4	-44.3	176.6	-177.5	-162.2	0	0	0	110.6	V146 L150 F420 S428 L429 A430 S434 L435 R610 Y611	V146-F432 HydrophobicContact CG1-CZ 4.18Å; L150-F432 HydrophobicContact CD1-CB 4.14Å; L150-F432 HydrophobicContact CD1-CD1 3.44Å; L150-F432 VanDerWaalsContact CD1-CD1 3.44Å; L150-F432 HydrophobicContact CD1-CD2 3.92Å; L150-F432 HydrophobicContact CD1-CE1 3.68Å; L150-F432 HydrophobicContact CD1-CE2 4.1Å; L150-F432 HydrophobicContact CD1-CG 3.56Å; L150-F432 HydrophobicContact CD1-CZ 3.99Å; L150-F432 HydrophobicContact CD2-CD1 3.46Å; L150-F432 VanDerWaalsContact CD2-CD1 3.46Å; L150-F432 HydrophobicContact CD2-CE1 3.63Å; L150-F432 HydrophobicContact CD2-CG 4.35Å; L150-F432 HydrophobicContact CG-CD1 4.09Å; L150-F432 HydrophobicContact CG-CE1 4.19Å; F420-F432 HydrophobicContact CE1-CE1 4.11Å; F420-F432 HydrophobicContact CZ-CE1 4.25Å; S428-F432 WeakPolarHBondContact O-CB 3.29Å; S428-F432 PolarHBondContact O-N 3.03Å; L429-F432 PolarHBondContact O-N 3.5Å; L429-F432 VanDerWaalsContact O-N 3.15Å; A430-F432 VanDerWaalsContact C-N 3.26Å; A430-F432 PolarHBondContact O-N 3.28Å; F432-S434 PolarHBondContact O-N 3.15Å; F432-L435 WeakPolarHBondContact O-CB 3.42Å; F432-L435 PolarHBondContact O-N 3.42Å; F432-R610 HydrophobicContact CD1-CB 4.37Å; F432-R610 HydrophobicContact CD2-CB 4.42Å; F432-R610 HydrophobicContact CE1-CB 4.16Å; F432-R610 HydrophobicContact CE2-CB 4.25Å; F432-R610 HydrophobicContact CZ-CB 4.12Å; F432-Y611 HydrophobicContact CE2-CD2 4.1Å; F432-Y611 HydrophobicContact CE2-CG 4.42Å
433	L	92	Very high	92.1	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-56.5	-50.2	175.4	174.4	63	0	0	0	111.9	D147 L150 L154 V280 L429 A430 L435 G436 T437	D147-L433 HydrophobicContact CB-CD1 3.72Å; D147-L433 WeakPolarHBondContact O-CD1 3.46Å; L150-L433 HydrophobicContact CB-CB 4.27Å; L150-L433 HydrophobicContact CB-CD1 4.2Å; L150-L433 HydrophobicContact CD1-CB 4.39Å; L154-L433 HydrophobicContact CD2-CD2 4.01Å; V280-L433 HydrophobicContact CG1-CD1 4.11Å; V280-L433 HydrophobicContact CG1-CD2 4.09Å; V280-L433 HydrophobicContact CG1-CG 3.94Å; V280-L433 HydrophobicContact CG2-CG 4.44Å; L429-L433 WeakPolarHBondContact O-CB 3.45Å; L429-L433 PolarHBondContact O-N 3.37Å; A430-L433 PolarHBondContact O-N 3.29Å; L433-L435 VanDerWaalsContact C-N 3.25Å; L433-L435 PolarHBondContact O-N 3.38Å; L433-G436 PolarHBondContact O-N 2.97Å; L433-T437 PolarHBondContact O-N 3.17Å; L433-T437 PolarHBondContact O-OG1 3Å
434	S	91.7	Very high	92	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-58.6	-34.3	180	47.3	0	0	0	0	113.5	A430 S431 F432 I438	A430-S434 PolarHBondContact O-N 3.26Å; A430-S434 PolarHBondContact O-OG 3.24Å; S431-S434 WeakPolarHBondContact CA-OG 3.47Å; S431-S434 PolarHBondContact O-OG 3.26Å; F432-S434 PolarHBondContact O-N 3.15Å; S434-I438 WeakPolarHBondContact O-CB 3.26Å; S434-I438 WeakPolarHBondContact O-CD1 2.94Å; S434-I438 WeakPolarHBondContact O-CG1 3.36Å; S434-I438 PolarHBondContact O-N 3.03Å
435	L	93.1	Very high	92	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.2	-52	177.9	-173.7	161.4	0	0	0	111.5	F432 L433 T437 I438 I439 L600 I603 W608 Y611	F432-L435 WeakPolarHBondContact O-CB 3.42Å; F432-L435 PolarHBondContact O-N 3.42Å; L433-L435 VanDerWaalsContact C-N 3.25Å; L433-L435 PolarHBondContact O-N 3.38Å; L435-T437 VanDerWaalsContact C-N 3.31Å; L435-T437 PolarHBondContact O-N 3.49Å; L435-I438 PolarHBondContact O-N 3.32Å; L435-I439 HydrophobicContact CD2-CD1 3.51Å; L435-I439 HydrophobicContact CD2-CG1 4.37Å; L435-I439 HydrophobicContact CG-CD1 4.49Å; L435-I439 WeakPolarHBondContact O-CG1 3.4Å; L435-I439 PolarHBondContact O-N 3.49Å; L435-I439 VanDerWaalsContact O-N 3.09Å; L435-L600 HydrophobicContact CG-CD1 4.11Å; L435-I603 VanDerWaalsContact CA-CD1 3.47Å; L435-I603 HydrophobicContact CB-CD1 3.63Å; L435-I603 HydrophobicContact CB-CG2 4.33Å; L435-I603 HydrophobicContact CD1-CG2 3.97Å; L435-I603 HydrophobicContact CG-CD1 4.11Å; L435-W608 HydrophobicContact CD1-CB 4.45Å; L435-W608 HydrophobicContact CD1-CD2 3.83Å; L435-W608 HydrophobicContact CD1-CE3 4.26Å; L435-W608 HydrophobicContact CD1-CG 3.89Å; L435-Y611 HydrophobicContact CD2-CD1 3.51Å; L435-Y611 HydrophobicContact CD2-CD2 3.57Å; L435-Y611 HydrophobicContact CD2-CE1 3.98Å; L435-Y611 HydrophobicContact CD2-CE2 4.05Å; L435-Y611 HydrophobicContact CD2-CG 3.27Å
436	G	89.3	Confident	92.1	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-60.3	-42.6	-179.3	0	0	0	0	0	112.1	L433 I439 A440	L433-G436 PolarHBondContact O-N 2.97Å; G436-I439 PolarHBondContact O-N 3.17Å; G436-A440 PolarHBondContact O-N 3.02Å
437	T	91.1	Very high	92.1	Very high	6 Å²	6	10.8 Å²	10.8	4%	0.037	6%	0.06	C	C	.	.	H	α-helix	trans	-68.1	-41.4	179.4	-52.1	0	0	0	0	112.7	D147 V280 L433 L435 I439 A440 Y441	D147-T437 WeakPolarHBondContact OD2-CA 3.5Å; D147-T437 PolarHBondContact OD2-N 2.9Å; D147-T437 VanDerWaalsContact OD2-N 3.17Å; D147-T437 PolarHBondContact OD2-OG1 3.3Å; V280-T437 HydrophobicContact CB-CG2 4.41Å; V280-T437 HydrophobicContact CG1-CG2 4.01Å; V280-T437 WeakPolarHBondContact CG1-OG1 3.5Å; V280-T437 HydrophobicContact CG2-CG2 4.43Å; V280-T437 WeakPolarHBondContact O-CG2 3.36Å; L433-T437 PolarHBondContact O-N 3.17Å; L433-T437 PolarHBondContact O-OG1 3Å; L435-T437 VanDerWaalsContact C-N 3.31Å; L435-T437 PolarHBondContact O-N 3.49Å; T437-I439 VanDerWaalsContact C-N 3.32Å; T437-I439 PolarHBondContact O-N 3.49Å; T437-A440 WeakPolarHBondContact O-CB 3.49Å; T437-A440 PolarHBondContact O-N 3.47Å; T437-Y441 HydrophobicContact CG2-CD2 4.11Å; T437-Y441 HydrophobicContact CG2-CE1 4.24Å; T437-Y441 HydrophobicContact CG2-CE2 3.55Å; T437-Y441 PolarHBondContact O-N 3.43Å
438	I	94.1	Very high	92.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.7	-39.1	177.7	-70.6	163.8	0	0	0	110.6	T273 F276 S434 L435 Y441 C442 N596 L599 L600 I603	T273-I438 HydrophobicContact CG2-CD1 4.44Å; F276-I438 HydrophobicContact CD1-CD1 4.13Å; F276-I438 HydrophobicContact CD1-CG1 4Å; F276-I438 HydrophobicContact CE1-CG1 3.88Å; S434-I438 WeakPolarHBondContact O-CB 3.26Å; S434-I438 WeakPolarHBondContact O-CD1 2.94Å; S434-I438 WeakPolarHBondContact O-CG1 3.36Å; S434-I438 PolarHBondContact O-N 3.03Å; L435-I438 PolarHBondContact O-N 3.32Å; I438-Y441 PolarHBondContact O-N 3.44Å; I438-C442 PolarHBondContact O-N 2.94Å; I438-C442 PolarHBondContact O-SG 2.94Å; I438-N596 HydrophobicContact CG2-CB 4.07Å; I438-N596 VanDerWaalsContact CG2-O 3.29Å; I438-N596 WeakPolarHBondContact CG2-O 3.44Å; I438-L599 HydrophobicContact CD1-CB 3.88Å; I438-L599 HydrophobicContact CD1-CD1 4.41Å; I438-L600 HydrophobicContact CG2-CB 3.94Å; I438-L600 HydrophobicContact CG2-CD1 4.19Å; I438-I603 HydrophobicContact CD1-CD1 4.07Å
439	I	93	Very high	92.3	Very high	25 Å²	25	7.6 Å²	7.6	13%	0.128	4%	0.044	C	C	.	.	H	α-helix	trans	-61	-45.6	172.9	-69.2	176	0	0	0	110.7	L435 G436 T437 Y441 C442 I443 L600 W608 Y611	L435-I439 HydrophobicContact CD2-CD1 3.51Å; L435-I439 HydrophobicContact CD2-CG1 4.37Å; L435-I439 HydrophobicContact CG-CD1 4.49Å; L435-I439 WeakPolarHBondContact O-CG1 3.4Å; L435-I439 PolarHBondContact O-N 3.49Å; L435-I439 VanDerWaalsContact O-N 3.09Å; G436-I439 PolarHBondContact O-N 3.17Å; T437-I439 VanDerWaalsContact C-N 3.32Å; T437-I439 PolarHBondContact O-N 3.49Å; I439-Y441 VanDerWaalsContact C-N 3.3Å; I439-Y441 PolarHBondContact O-N 3.33Å; I439-C442 WeakPolarHBondContact O-CB 3.46Å; I439-C442 PolarHBondContact O-N 3.07Å; I439-I443 HydrophobicContact CG2-CD1 4.2Å; I439-I443 WeakPolarHBondContact O-CG1 3.46Å; I439-I443 PolarHBondContact O-N 3.5Å; I439-L600 HydrophobicContact CG1-CD1 4.05Å; I439-L600 HydrophobicContact CG1-CD2 4.28Å; I439-W608 HydrophobicContact CD1-CZ3 4.5Å; I439-Y611 HydrophobicContact CD1-CD1 4.06Å; I439-Y611 HydrophobicContact CD1-CE1 3.36Å; I439-Y611 HydrophobicContact CD1-CE2 4.46Å
440	A	90.7	Very high	92.3	Very high	7 Å²	7	8 Å²	8	6%	0.058	5%	0.047	C	C	.	.	H	α-helix	trans	-59.6	-39.8	175.2	0	0	0	0	0	111.9	N140 G436 T437 I443 N444	N140-A440 WeakPolarHBondContact OD1-CB 3.21Å; G436-A440 PolarHBondContact O-N 3.02Å; T437-A440 WeakPolarHBondContact O-CB 3.49Å; T437-A440 PolarHBondContact O-N 3.47Å; A440-I443 WeakPolarHBondContact O-CB 3.31Å; A440-I443 PolarHBondContact O-N 3.39Å; A440-N444 WeakPolarHBondContact O-CB 3.34Å; A440-N444 PolarHBondContact O-N 3.41Å; A440-N444 PolarHBondContact O-ND2 2.86Å
441	Y	93.1	Very high	92.1	Very high	5 Å²	5	9 Å²	9	2%	0.02	5%	0.052	C	C	.	.	H	α-helix	trans	-66.6	-36.3	175.1	-68.1	-25.2	0	0	0	113.7	N107 F276 V280 S282 S283 T437 I438 I439 N444 A445 N596	N107-Y441 HydrophobicContact CB-CD1 4.47Å; N107-Y441 HydrophobicContact CB-CD2 4.03Å; N107-Y441 HydrophobicContact CB-CE2 4.19Å; N107-Y441 HydrophobicContact CB-CG 4.19Å; F276-Y441 AromaticContact CE1-CD2 3.93Å; F276-Y441 HydrophobicContact CE1-CD2 3.93Å; F276-Y441 AromaticContact CE1-CE2 3.68Å; F276-Y441 HydrophobicContact CE1-CE2 3.68Å; F276-Y441 AromaticContact CZ-CD2 3.75Å; F276-Y441 HydrophobicContact CZ-CD2 3.75Å; F276-Y441 AromaticContact CZ-CE2 3.49Å; F276-Y441 HydrophobicContact CZ-CE2 3.49Å; F276-Y441 VanDerWaalsContact CZ-CE2 3.49Å; V280-Y441 PolarHBondContact O-OH 3.49Å; S282-Y441 PolarHBondContact OG-OH 3.01Å; S282-Y441 VanDerWaalsContact OG-OH 3.14Å; S283-Y441 PolarHBondContact OG-OH 3.38Å; T437-Y441 HydrophobicContact CG2-CD2 4.11Å; T437-Y441 HydrophobicContact CG2-CE1 4.24Å; T437-Y441 HydrophobicContact CG2-CE2 3.55Å; T437-Y441 PolarHBondContact O-N 3.43Å; I438-Y441 PolarHBondContact O-N 3.44Å; I439-Y441 VanDerWaalsContact C-N 3.3Å; I439-Y441 PolarHBondContact O-N 3.33Å; Y441-N444 PolarHBondContact O-N 2.88Å; Y441-A445 PolarHBondContact O-N 3.33Å; Y441-N596 WeakPolarHBondContact CB-ND2 3.32Å
442	C	94.7	Very high	92.1	Very high	13 Å²	13	8.4 Å²	8.4	9%	0.088	5%	0.046	C	C	.	.	H	α-helix	trans	-60.3	-46.1	169.4	-70.3	0	0	0	0	111.4	I438 I439 N444 A445 I446 L593 N596	I438-C442 PolarHBondContact O-N 2.94Å; I438-C442 PolarHBondContact O-SG 2.94Å; I439-C442 WeakPolarHBondContact O-CB 3.46Å; I439-C442 PolarHBondContact O-N 3.07Å; C442-N444 VanDerWaalsContact C-N 3.28Å; C442-N444 PolarHBondContact O-N 3.32Å; C442-A445 PolarHBondContact O-N 3.15Å; C442-I446 VanDerWaalsContact O-CG1 3.29Å; C442-I446 WeakPolarHBondContact O-CG1 3.46Å; C442-I446 PolarHBondContact O-N 3.48Å; C442-L593 HydrophobicContact CB-CD1 3.91Å; C442-N596 VanDerWaalsContact SG-CB 3.56Å
443	I	93.2	Very high	92	Very high	22 Å²	22	8.4 Å²	8.4	11%	0.113	5%	0.046	C	C	.	.	H	α-helix	trans	-60	-40.5	175.9	-65.7	170.5	0	0	0	110.6	A128 L132 V139 N140 I439 A440 I446 S447	A128-I443 HydrophobicContact CB-CG2 4.24Å; L132-I443 HydrophobicContact CD1-CG2 3.7Å; V139-I443 HydrophobicContact CG1-CD1 4.06Å; N140-I443 HydrophobicContact CB-CD1 4.15Å; N140-I443 HydrophobicContact CB-CG2 4.38Å; I439-I443 HydrophobicContact CG2-CD1 4.2Å; I439-I443 WeakPolarHBondContact O-CG1 3.46Å; I439-I443 PolarHBondContact O-N 3.5Å; A440-I443 WeakPolarHBondContact O-CB 3.31Å; A440-I443 PolarHBondContact O-N 3.39Å; I443-I446 PolarHBondContact O-N 2.69Å; I443-S447 WeakPolarHBondContact O-CB 3.42Å; I443-S447 PolarHBondContact O-N 2.79Å; I443-S447 PolarHBondContact O-OG 2.74Å
444	N	92	Very high	91.6	Very high	6 Å²	6	12.1 Å²	12.1	3%	0.032	6%	0.059	C	C	.	.	H	α-helix	trans	-67.1	-41.9	178.4	-65.2	-30	0	0	0	112.4	I110 Y111 L114 H127 A440 Y441 C442 I446 S447 V448	I110-N444 HydrophobicContact CG2-CB 4.37Å; Y111-N444 WeakPolarHBondContact CD2-ND2 3.48Å; L114-N444 HydrophobicContact CD1-CB 3.72Å; H127-N444 PolarHBondContact CD2-OD1 3.35Å; H127-N444 PolarHBondContact NE2-OD1 3.07Å; A440-N444 WeakPolarHBondContact O-CB 3.34Å; A440-N444 PolarHBondContact O-N 3.41Å; A440-N444 PolarHBondContact O-ND2 2.86Å; Y441-N444 PolarHBondContact O-N 2.88Å; C442-N444 VanDerWaalsContact C-N 3.28Å; C442-N444 PolarHBondContact O-N 3.32Å; N444-I446 VanDerWaalsContact C-N 3.35Å; N444-I446 PolarHBondContact O-N 3.47Å; N444-S447 WeakPolarHBondContact O-CB 3.17Å; N444-S447 PolarHBondContact O-N 3.25Å; N444-V448 PolarHBondContact O-N 3.47Å
445	A	94.5	Very high	90.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.4	-44.2	175.2	0	0	0	0	0	111.5	I110 Y441 C442 S447 V448 L449 L593	I110-A445 HydrophobicContact CD1-CB 4.11Å; Y441-A445 PolarHBondContact O-N 3.33Å; C442-A445 PolarHBondContact O-N 3.15Å; A445-S447 VanDerWaalsContact C-N 3.34Å; A445-V448 PolarHBondContact O-N 3.29Å; A445-L449 WeakPolarHBondContact O-CG 3.33Å; A445-L449 PolarHBondContact O-N 2.86Å; A445-L449 VanDerWaalsContact O-N 3.17Å; A445-L593 HydrophobicContact CB-CB 4.19Å; A445-L593 HydrophobicContact CB-CD1 4.4Å
446	I	94.3	Very high	89.2	Confident	39 Å²	39	19.1 Å²	19.1	20%	0.2	9%	0.089	C	C	.	.	H	α-helix	trans	-63.5	-40.8	173.6	-63.3	165.3	0	0	0	110.8	L132 C442 I443 N444 V448 L449 C450 I521 I525 L593	L132-I446 HydrophobicContact CD2-CG2 4.03Å; C442-I446 VanDerWaalsContact O-CG1 3.29Å; C442-I446 WeakPolarHBondContact O-CG1 3.46Å; C442-I446 PolarHBondContact O-N 3.48Å; I443-I446 PolarHBondContact O-N 2.69Å; N444-I446 VanDerWaalsContact C-N 3.35Å; N444-I446 PolarHBondContact O-N 3.47Å; I446-V448 PolarHBondContact O-N 2.73Å; I446-L449 PolarHBondContact O-N 3.48Å; I446-C450 WeakPolarHBondContact O-CB 3.12Å; I446-C450 PolarHBondContact O-N 3.37Å; I446-C450 PolarHBondContact O-SG 3.39Å; I446-I521 HydrophobicContact CG1-CG2 4.47Å; I446-I525 HydrophobicContact CD1-CD1 3.85Å; I446-I525 HydrophobicContact CG1-CD1 4.35Å; I446-L593 HydrophobicContact CG1-CD1 4.31Å; I446-L593 HydrophobicContact CG1-CD2 4.27Å
447	S	91.3	Very high	87.7	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-45.4	178.1	-59.1	0	0	0	0	111.6	L132 I443 N444 A445 L449 C450 L451	L132-S447 VanDerWaalsContact CD1-OG 3.31Å; L132-S447 WeakPolarHBondContact CD1-OG 3.31Å; I443-S447 WeakPolarHBondContact O-CB 3.42Å; I443-S447 PolarHBondContact O-N 2.79Å; I443-S447 PolarHBondContact O-OG 2.74Å; N444-S447 WeakPolarHBondContact O-CB 3.17Å; N444-S447 PolarHBondContact O-N 3.25Å; A445-S447 VanDerWaalsContact C-N 3.34Å; S447-L449 PolarHBondContact O-N 3.46Å; S447-C450 PolarHBondContact O-N 2.98Å; S447-L451 WeakPolarHBondContact O-CB 3.41Å; S447-L451 PolarHBondContact O-N 2.96Å
448	V	92.1	Very high	85.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.8	-40.3	177.7	170.7	0	0	0	0	111.7	I110 L114 N444 A445 I446 L451 R452 I582 P589	I110-V448 HydrophobicContact CB-CG2 4.48Å; I110-V448 HydrophobicContact CG2-CB 4.09Å; I110-V448 HydrophobicContact CG2-CG2 3.48Å; I110-V448 VanDerWaalsContact CG2-CG2 3.48Å; L114-V448 HydrophobicContact CD1-CG2 3.87Å; L114-V448 HydrophobicContact CD2-CG2 3.49Å; L114-V448 VanDerWaalsContact CD2-CG2 3.49Å; L114-V448 HydrophobicContact CG-CG2 3.43Å; L114-V448 VanDerWaalsContact CG-CG2 3.43Å; N444-V448 PolarHBondContact O-N 3.47Å; A445-V448 PolarHBondContact O-N 3.29Å; I446-V448 PolarHBondContact O-N 2.73Å; V448-L451 WeakPolarHBondContact O-CB 3.44Å; V448-L451 PolarHBondContact O-N 3.27Å; V448-R452 HydrophobicContact CG1-CG 4.41Å; V448-R452 WeakPolarHBondContact O-CB 3.42Å; V448-R452 VanDerWaalsContact O-CG 3.22Å; V448-R452 WeakPolarHBondContact O-CG 3.36Å; V448-R452 PolarHBondContact O-N 3.39Å; V448-I582 HydrophobicContact CG1-CG2 4.33Å; V448-P589 HydrophobicContact CG1-CG 4.31Å
449	L	93.1	Very high	83	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-48.2	175.8	-72.5	167.9	0	0	0	111.1	A445 I446 S447 L451 R452 Y453 I521 P586 P589	A445-L449 WeakPolarHBondContact O-CG 3.33Å; A445-L449 PolarHBondContact O-N 2.86Å; A445-L449 VanDerWaalsContact O-N 3.17Å; I446-L449 PolarHBondContact O-N 3.48Å; S447-L449 PolarHBondContact O-N 3.46Å; L449-L451 VanDerWaalsContact C-N 3.31Å; L449-L451 PolarHBondContact O-N 3.4Å; L449-R452 PolarHBondContact O-N 3.04Å; L449-Y453 HydrophobicContact CD2-CE2 4.49Å; L449-Y453 VanDerWaalsContact O-CD2 3.29Å; L449-Y453 WeakPolarHBondContact O-CD2 3.46Å; L449-Y453 PolarHBondContact O-N 3Å; L449-I521 HydrophobicContact CB-CD1 3.67Å; L449-I521 HydrophobicContact CD1-CD1 4.15Å; L449-I521 HydrophobicContact CD1-CG1 4.19Å; L449-P586 HydrophobicContact CD2-CB 3.79Å; L449-P589 HydrophobicContact CD1-CB 4.19Å; L449-P589 HydrophobicContact CD2-CB 3.86Å; L449-P589 HydrophobicContact CD2-CG 4.27Å; L449-P589 HydrophobicContact CG-CB 3.78Å
450	C	90.9	Very high	80.3	Confident	8 Å²	8	37.5 Å²	37.5	5%	0.054	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-40.8	175.4	-74.9	0	0	0	0	111.8	I131 L132 I446 S447 R452 Y453 R454	I131-C450 HydrophobicContact CG2-CB 3.53Å; L132-C450 HydrophobicContact CD2-CB 4.12Å; I446-C450 WeakPolarHBondContact O-CB 3.12Å; I446-C450 PolarHBondContact O-N 3.37Å; I446-C450 PolarHBondContact O-SG 3.39Å; S447-C450 PolarHBondContact O-N 2.98Å; C450-R452 VanDerWaalsContact C-N 3.27Å; C450-R452 PolarHBondContact O-N 3.34Å; C450-Y453 PolarHBondContact O-N 2.88Å; C450-R454 WeakPolarHBondContact O-CA 3.49Å; C450-R454 WeakPolarHBondContact O-CB 3.34Å; C450-R454 PolarHBondContact O-N 3.19Å
451	L	87.4	Confident	77.7	Confident	26 Å²	26	45.1 Å²	45.1	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-59.6	-39.3	178.2	178.3	67	0	0	0	112.4	L114 H117 I131 S447 V448 L449	L114-L451 HydrophobicContact CD2-CD2 4.22Å; H117-L451 HydrophobicContact CB-CD2 4.12Å; H117-L451 WeakPolarHBondContact CE1-CD1 3.27Å; H117-L451 WeakPolarHBondContact NE2-CD1 3.27Å; I131-L451 HydrophobicContact CD1-CB 4.01Å; I131-L451 HydrophobicContact CD1-CD1 4.09Å; I131-L451 HydrophobicContact CD1-CD2 4.46Å; I131-L451 HydrophobicContact CD1-CG 4.42Å; I131-L451 HydrophobicContact CG1-CD1 4.25Å; S447-L451 WeakPolarHBondContact O-CB 3.41Å; S447-L451 PolarHBondContact O-N 2.96Å; V448-L451 WeakPolarHBondContact O-CB 3.44Å; V448-L451 PolarHBondContact O-N 3.27Å; L449-L451 VanDerWaalsContact C-N 3.31Å; L449-L451 PolarHBondContact O-N 3.4Å
452	R	89.8	Confident	75	Confident	11 Å²	11	51.6 Å²	51.6	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-75.2	-27.9	-177.7	-73.7	-79.4	-168.2	-143.8	3	113.8	E113 V448 L449 C450 Q571 F572 R581 V585	E113-R452 IonicContact OE1-CZ 2.6Å; E113-R452 IonicContact OE1-NE 2.87Å; E113-R452 PolarHBondContact OE1-NE 2.83Å; E113-R452 VanDerWaalsContact OE1-NE 3.1Å; E113-R452 IonicContact OE1-NH1 3.72Å; E113-R452 PolarHBondContact OE1-NH1 3.24Å; E113-R452 IonicContact OE1-NH2 3.18Å; E113-R452 PolarHBondContact OE1-NH2 3.32Å; E113-R452 IonicContact OE2-CZ 2.81Å; E113-R452 IonicContact OE2-NE 2.84Å; E113-R452 IonicContact OE2-NH2 3.41Å; E113-R452 PolarHBondContact OE2-NH2 3.2Å; V448-R452 HydrophobicContact CG1-CG 4.41Å; V448-R452 WeakPolarHBondContact O-CB 3.42Å; V448-R452 VanDerWaalsContact O-CG 3.22Å; V448-R452 WeakPolarHBondContact O-CG 3.36Å; V448-R452 PolarHBondContact O-N 3.39Å; L449-R452 PolarHBondContact O-N 3.04Å; C450-R452 VanDerWaalsContact C-N 3.27Å; C450-R452 PolarHBondContact O-N 3.34Å; R452-Q571 CarbonylContact O-C 3.43Å; R452-Q571 VanDerWaalsContact O-CA 3.31Å; R452-Q571 WeakPolarHBondContact O-CA 3.22Å; R452-F572 PolarHBondContact O-N 2.91Å; R452-R581 VanDerWaalsContact NH1-CD 3.27Å; R452-V585 HydrophobicContact CB-CG1 4.15Å; R452-V585 HydrophobicContact CG-CG1 3.93Å
453	Y	89.7	Confident	72.2	Confident	1 Å²	1	55.9 Å²	55.9	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-124.9	-4.2	-168	-66.9	-75.2	0	0	0	115.1	L449 C450 G490 G514 V517 I566 I569 Q571 F572 V585 P586	L449-Y453 HydrophobicContact CD2-CE2 4.49Å; L449-Y453 VanDerWaalsContact O-CD2 3.29Å; L449-Y453 WeakPolarHBondContact O-CD2 3.46Å; L449-Y453 PolarHBondContact O-N 3Å; C450-Y453 PolarHBondContact O-N 2.88Å; Y453-G490 WeakPolarHBondContact O-CA 3.41Å; Y453-G514 WeakPolarHBondContact O-CA 3.43Å; Y453-V517 HydrophobicContact CD1-CG2 4.2Å; Y453-V517 HydrophobicContact CD2-CG1 4.08Å; Y453-V517 HydrophobicContact CG-CG1 4.16Å; Y453-V517 HydrophobicContact CG-CG2 3.91Å; Y453-I566 HydrophobicContact CD2-CG2 4.19Å; Y453-I566 HydrophobicContact CE1-CG2 4.42Å; Y453-I566 HydrophobicContact CE2-CG2 3.68Å; Y453-I569 HydrophobicContact CD1-CB 4.17Å; Y453-I569 HydrophobicContact CD1-CG2 3.86Å; Y453-I569 HydrophobicContact CE1-CB 4.31Å; Y453-I569 HydrophobicContact CE1-CG2 4.46Å; Y453-I569 WeakPolarHBondContact CE1-O 3.29Å; Y453-Q571 HydrophobicContact CD1-CG 3.96Å; Y453-Q571 HydrophobicContact CE1-CB 4.44Å; Y453-Q571 HydrophobicContact CE1-CG 3.36Å; Y453-Q571 HydrophobicContact CE2-CG 4.42Å; Y453-Q571 PolarHBondContact OH-NE2 3.21Å; Y453-F572 VanDerWaalsContact C-CD2 3.48Å; Y453-F572 VanDerWaalsContact C-CE2 3.41Å; Y453-F572 VanDerWaalsContact O-CE2 3.3Å; Y453-F572 WeakPolarHBondContact O-CE2 3.26Å; Y453-V585 HydrophobicContact CE2-CG1 3.84Å; Y453-P586 HydrophobicContact CE2-CB 4.17Å; Y453-P586 WeakPolarHBondContact OH-CD 3.46Å
454	R	84.3	Confident	69.3	Low	80 Å²	80	62 Å²	62	30%	0.302	31%	0.309	S	S	.	.	S	Bend	trans	-123	136.6	-176.9	-168.3	178.7	176.4	177.8	0.8	111.8	C450 F572	C450-R454 WeakPolarHBondContact O-CA 3.49Å; C450-R454 WeakPolarHBondContact O-CB 3.34Å; C450-R454 PolarHBondContact O-N 3.19Å; R454-F572 VanDerWaalsContact C-CE2 3.45Å
455	S	72.8	Confident	66.4	Low	23 Å²	23	69.7 Å²	69.7	16%	0.161	34%	0.344	C	S	.	.			trans	-68.6	148.1	175.3	-172.7	0	0	0	0	112.5	T457	S455-T457 PolarHBondContact OG-N 3.28Å; S455-T457 PolarHBondContact OG-OG1 2.69Å
456	R	62.7	Low	63.8	Low	128 Å²	128	75 Å²	75	48%	0.483	37%	0.365	S	S	.	.	S	Bend	trans	-86.6	-31.4	177.5	-167.4	172.6	74.6	160.2	2.4	112.7
457	T	57.8	Low	61.1	Low	71 Å²	71	80 Å²	80	44%	0.436	39%	0.392	S	S	.	.			trans	-88.2	121.1	179.6	44.2	0	0	0	0	109.8	S455 N459	S455-T457 PolarHBondContact OG-N 3.28Å; S455-T457 PolarHBondContact OG-OG1 2.69Å; T457-N459 PolarHBondContact O-N 3.45Å
458	N	45.7	Very low	58.6	Low	99 Å²	99	87 Å²	87	53%	0.529	43%	0.43	S	S	.	.			trans	-82.5	39.2	160.8	-69.1	-8.5	0	0	0	109.3	H460	N458-H460 VanDerWaalsContact C-N 3.33Å; N458-H460 PolarHBondContact O-N 3.35Å
459	N	39.9	Very low	56	Low	110 Å²	110	92.9 Å²	92.9	59%	0.588	46%	0.461	S	S	*	.			trans	-66.9	103	174.1	-75.9	21.5	0	0	0	106.1	T457 E461	T457-N459 PolarHBondContact O-N 3.45Å; N459-E461 PolarHBondContact O-N 3.29Å
460	H	35.5	Very low	53.6	Low	137 Å²	137	97.8 Å²	97.8	63%	0.634	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-70	13	177.5	-98.9	-82.2	0	0	0	112.8	N458 D462 I463	N458-H460 VanDerWaalsContact C-N 3.33Å; N458-H460 PolarHBondContact O-N 3.35Å; H460-D462 VanDerWaalsContact C-N 3.26Å; H460-D462 PolarHBondContact O-N 3.42Å; H460-I463 PolarHBondContact O-N 3.19Å
461	E	36.8	Very low	51.7	Low	168 Å²	168	103.6 Å²	103.6	79%	0.785	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-75.7	-7.4	-169.5	-68.7	-175.9	158.4	0	0	114.2	N459	N459-E461 PolarHBondContact O-N 3.29Å
462	D	36.1	Very low	49.7	Very low	141 Å²	141	111.5 Å²	111.5	75%	0.754	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-96.8	16.2	174.8	-70.2	-25.5	0	0	0	114.9	H460 Y481	H460-D462 VanDerWaalsContact C-N 3.26Å; H460-D462 PolarHBondContact O-N 3.42Å; D462-Y481 PolarHBondContact O-OH 2.95Å
463	I	37.2	Very low	47.8	Very low	102 Å²	102	119.2 Å²	119.2	52%	0.523	59%	0.585	S	S	.	*	S	Bend	trans	-114	-13.8	-179.4	-61.7	-179.1	0	0	0	114.6	H460	H460-I463 PolarHBondContact O-N 3.19Å
464	N	30.7	Very low	45.9	Very low	152 Å²	152	123.2 Å²	123.2	81%	0.813	60%	0.602	S	S	*	*			trans	-110.9	67.1	-176.5	-70.4	-7.7	0	0	0	113.2
465	E	32.6	Very low	44.4	Very low	166 Å²	166	126 Å²	126	78%	0.776	62%	0.619	S	S	*	*			trans	-137.1	81.3	154.4	-158	178.8	-145.8	0	0	109.1
466	Y	39.3	Very low	43.6	Very low	112 Å²	112	130.7 Å²	130.7	44%	0.439	64%	0.642	S	S	.	*			trans	-155.3	123.2	149.3	-147.9	-108.1	0	0	0	115	F474 Y477	Y466-F474 AromaticContact CD1-CE2 3.82Å; Y466-F474 HydrophobicContact CD1-CE2 3.82Å; Y466-F474 HydrophobicContact CD1-CZ 4.25Å; Y466-F474 HydrophobicContact CE1-CD2 4.31Å; Y466-F474 AromaticContact CE1-CE2 3.79Å; Y466-F474 HydrophobicContact CE1-CE2 3.79Å; Y466-Y477 HydrophobicContact CD2-CE1 4.25Å; Y466-Y477 HydrophobicContact CE2-CE2 4.41Å
467	N	37.3	Very low	43.2	Very low	145 Å²	145	129.8 Å²	129.8	78%	0.775	64%	0.639	S	S	*	*			trans	-81.7	140.3	167.1	-88.4	-32.8	0	0	0	110.7	N469	N467-N469 PolarHBondContact O-N 2.84Å
468	N	38.5	Very low	43.2	Very low	147 Å²	147	129.3 Å²	129.3	79%	0.786	63%	0.632	S	S	*	*	S	Bend	trans	-49.6	122.8	169.2	-71.8	-34.6	0	0	0	111.6
469	N	38.5	Very low	44.1	Very low	123 Å²	123	127 Å²	127	66%	0.658	62%	0.62	S	S	*	*				170.9	140.5	129	-76.7	-17.9	0	0	0	109.9	N467	N467-N469 PolarHBondContact O-N 2.84Å
470	D	42.5	Very low	45.6	Very low	103 Å²	103	124 Å²	124	55%	0.551	61%	0.61	S	S	*	*			trans	87.2	88.7	173.5	-52.1	-24	0	0	0	118.8	K472 R473 F474	D470-K472 PolarHBondContact O-N 3.43Å; D470-R473 HydrophobicContact CB-CB 3.91Å; D470-R473 PolarHBondContact O-N 2.95Å; D470-F474 PolarHBondContact O-N 2.92Å; D470-F474 VanDerWaalsContact O-N 3.13Å
471	V	50.8	Low	47.4	Very low	131 Å²	131	121 Å²	121	79%	0.794	59%	0.594	S	S	*	*	H	α-helix	trans	-58.3	-25.9	177.7	179.6	0	0	0	0	113.8	F474	V471-F474 WeakPolarHBondContact O-CB 3.46Å
472	K	45.9	Very low	49.4	Very low	191 Å²	191	114.5 Å²	114.5	83%	0.83	56%	0.562	S	S	*	*	H	α-helix	trans	-87.6	-23.5	176	-71.7	-178	178.3	178.5	0	113.7	D470 F474	D470-K472 PolarHBondContact O-N 3.43Å; K472-F474 VanDerWaalsContact C-N 3.26Å
473	R	49.7	Very low	51.2	Low	174 Å²	174	110.3 Å²	110.3	66%	0.657	54%	0.544	S	S	*	.	H	α-helix	trans	-76.1	-23.3	170.6	-139.1	173.8	-171.8	-179.3	0.1	110.8	D470 N476 Y477	D470-R473 HydrophobicContact CB-CB 3.91Å; D470-R473 PolarHBondContact O-N 2.95Å; R473-N476 PolarHBondContact O-N 3.32Å; R473-Y477 WeakPolarHBondContact O-CB 3.48Å; R473-Y477 PolarHBondContact O-N 3.21Å
474	F	50	Low	53.3	Low	84 Å²	84	113.1 Å²	113.1	37%	0.368	55%	0.552	S	S	.	*	H	α-helix	trans	-61.4	-39.5	179.5	-125.4	-91.9	0	0	0	114.3	Y466 D470 V471 K472 Q478	Y466-F474 AromaticContact CD1-CE2 3.82Å; Y466-F474 HydrophobicContact CD1-CE2 3.82Å; Y466-F474 HydrophobicContact CD1-CZ 4.25Å; Y466-F474 HydrophobicContact CE1-CD2 4.31Å; Y466-F474 AromaticContact CE1-CE2 3.79Å; Y466-F474 HydrophobicContact CE1-CE2 3.79Å; D470-F474 PolarHBondContact O-N 2.92Å; D470-F474 VanDerWaalsContact O-N 3.13Å; V471-F474 WeakPolarHBondContact O-CB 3.46Å; K472-F474 VanDerWaalsContact C-N 3.26Å; F474-Q478 HydrophobicContact CD1-CG 4.23Å; F474-Q478 VanDerWaalsContact O-CB 3.28Å; F474-Q478 WeakPolarHBondContact O-CB 3.46Å; F474-Q478 VanDerWaalsContact O-CG 3.24Å; F474-Q478 WeakPolarHBondContact O-CG 3.48Å; F474-Q478 PolarHBondContact O-N 2.78Å
475	E	52.1	Low	55.7	Low	140 Å²	140	107.1 Å²	107.1	65%	0.654	52%	0.518	S	S	*	.	H	α-helix	trans	-69.6	-45.3	177.6	-72.9	-172.8	160	0	0	111.9	Y477 Q478 N479	E475-Y477 VanDerWaalsContact C-N 3.31Å; E475-Y477 PolarHBondContact O-N 2.83Å; E475-Q478 PolarHBondContact O-N 2.92Å; E475-N479 WeakPolarHBondContact O-CB 3.18Å; E475-N479 PolarHBondContact O-N 2.9Å
476	N	56.9	Low	58.1	Low	121 Å²	121	100 Å²	100	65%	0.647	49%	0.486	S	S	*	.	H	α-helix	trans	-63.5	-37.3	175.3	-74.6	-11.2	0	0	0	111.7	R473 A480	R473-N476 PolarHBondContact O-N 3.32Å; N476-A480 WeakPolarHBondContact O-CB 3.5Å; N476-A480 PolarHBondContact O-N 3.31Å
477	Y	54.1	Low	60.1	Low	108 Å²	108	96.3 Å²	96.3	42%	0.424	48%	0.482	S	S	.	.	H	α-helix	trans	-72.4	-40.2	176.1	-167.8	-89.9	0	0	0	112.5	Y466 R473 E475 A480 Y481	Y466-Y477 HydrophobicContact CD2-CE1 4.25Å; Y466-Y477 HydrophobicContact CE2-CE2 4.41Å; R473-Y477 WeakPolarHBondContact O-CB 3.48Å; R473-Y477 PolarHBondContact O-N 3.21Å; E475-Y477 VanDerWaalsContact C-N 3.31Å; E475-Y477 PolarHBondContact O-N 2.83Å; Y477-A480 CarbonylContact O-C 3.44Å; Y477-A480 WeakPolarHBondContact O-CB 3.42Å; Y477-A480 PolarHBondContact O-N 3.27Å; Y477-Y481 WeakPolarHBondContact O-CB 3.4Å; Y477-Y481 PolarHBondContact O-N 3.42Å
478	Q	57	Low	62.3	Low	61 Å²	61	93.3 Å²	93.3	29%	0.285	46%	0.463	S	S	.	.	H	α-helix	trans	-61.4	-44.6	173.8	-80.4	-175	11.5	0	0	111.2	F474 E475 A480 Y481 Y482 K506	F474-Q478 HydrophobicContact CD1-CG 4.23Å; F474-Q478 VanDerWaalsContact O-CB 3.28Å; F474-Q478 WeakPolarHBondContact O-CB 3.46Å; F474-Q478 VanDerWaalsContact O-CG 3.24Å; F474-Q478 WeakPolarHBondContact O-CG 3.48Å; F474-Q478 PolarHBondContact O-N 2.78Å; E475-Q478 PolarHBondContact O-N 2.92Å; Q478-A480 VanDerWaalsContact C-N 3.33Å; Q478-A480 PolarHBondContact O-N 2.97Å; Q478-Y481 WeakPolarHBondContact O-CB 3.22Å; Q478-Y481 PolarHBondContact O-N 3.45Å; Q478-Y482 HydrophobicContact CB-CE2 4.27Å; Q478-Y482 WeakPolarHBondContact O-CD2 3.23Å; Q478-Y482 PolarHBondContact O-N 3.07Å; Q478-K506 VanDerWaalsContact OE1-NZ 3.07Å
479	N	64.1	Low	64.5	Low	52 Å²	52	89 Å²	89	28%	0.278	44%	0.443	S	S	.	.	H	α-helix	trans	-62.3	-42.2	174.9	-72.6	-6.1	0	0	0	110.9	E475 Y481 Y482 S483 D502	E475-N479 WeakPolarHBondContact O-CB 3.18Å; E475-N479 PolarHBondContact O-N 2.9Å; N479-Y481 VanDerWaalsContact C-N 3.35Å; N479-Y481 PolarHBondContact O-N 3.36Å; N479-Y482 PolarHBondContact O-N 3.37Å; N479-S483 VanDerWaalsContact O-CB 3.25Å; N479-S483 WeakPolarHBondContact O-CB 3.29Å; N479-S483 PolarHBondContact O-N 2.92Å; N479-S483 PolarHBondContact O-OG 3.01Å; N479-D502 PolarHBondContact ND2-OD2 3.39Å
480	A	71.2	Confident	66.6	Low	47 Å²	47	83.3 Å²	83.3	39%	0.388	41%	0.414	S	S	.	.	H	α-helix	trans	-60.1	-42.9	173.4	0	0	0	0	0	112	N476 Y477 Q478 S483 K484	N476-A480 WeakPolarHBondContact O-CB 3.5Å; N476-A480 PolarHBondContact O-N 3.31Å; Y477-A480 CarbonylContact O-C 3.44Å; Y477-A480 WeakPolarHBondContact O-CB 3.42Å; Y477-A480 PolarHBondContact O-N 3.27Å; Q478-A480 VanDerWaalsContact C-N 3.33Å; Q478-A480 PolarHBondContact O-N 2.97Å; A480-S483 WeakPolarHBondContact CA-OG 3.28Å; A480-S483 PolarHBondContact O-N 3.49Å; A480-S483 PolarHBondContact O-OG 2.84Å; A480-K484 WeakPolarHBondContact O-CB 3.38Å; A480-K484 PolarHBondContact O-N 2.82Å
481	Y	74.4	Confident	68.8	Low	72 Å²	72	79.3 Å²	79.3	28%	0.282	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-50	178.1	-176.9	-97.5	0	0	0	112.2	D462 Y477 Q478 N479 K484 R485	D462-Y481 PolarHBondContact O-OH 2.95Å; Y477-Y481 WeakPolarHBondContact O-CB 3.4Å; Y477-Y481 PolarHBondContact O-N 3.42Å; Q478-Y481 WeakPolarHBondContact O-CB 3.22Å; Q478-Y481 PolarHBondContact O-N 3.45Å; N479-Y481 VanDerWaalsContact C-N 3.35Å; N479-Y481 PolarHBondContact O-N 3.36Å; Y481-K484 PolarHBondContact O-N 3.22Å; Y481-R485 PolarHBondContact O-N 3.46Å; Y481-R485 PolarHBondContact OH-NH2 2.91Å
482	Y	77.7	Confident	70.6	Confident	33 Å²	33	73.3 Å²	73.3	13%	0.129	36%	0.355	C	S	.	.	H	α-helix	trans	-70.5	-32	178.2	-62.2	-59.9	0	0	0	112.8	Q478 N479 K484 R485 K506 N509	Q478-Y482 HydrophobicContact CB-CE2 4.27Å; Q478-Y482 WeakPolarHBondContact O-CD2 3.23Å; Q478-Y482 PolarHBondContact O-N 3.07Å; N479-Y482 PolarHBondContact O-N 3.37Å; Y482-K484 VanDerWaalsContact C-N 3.32Å; Y482-R485 PolarHBondContact O-N 2.98Å; Y482-K506 HydrophobicContact CD2-CB 4.14Å; Y482-K506 HydrophobicContact CD2-CG 4.22Å; Y482-K506 HydrophobicContact CE2-CB 4.07Å; Y482-K506 HydrophobicContact CE2-CD 3.91Å; Y482-K506 HydrophobicContact CE2-CG 3.63Å; Y482-N509 HydrophobicContact CD1-CB 3.97Å; Y482-N509 PolarHBondContact O-ND2 2.9Å
483	S	75.7	Confident	72.6	Confident	52 Å²	52	67.2 Å²	67.2	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-67.7	-31.6	173.9	76	0	0	0	0	112.5	N479 A480 R485 V486	N479-S483 VanDerWaalsContact O-CB 3.25Å; N479-S483 WeakPolarHBondContact O-CB 3.29Å; N479-S483 PolarHBondContact O-N 2.92Å; N479-S483 PolarHBondContact O-OG 3.01Å; A480-S483 WeakPolarHBondContact CA-OG 3.28Å; A480-S483 PolarHBondContact O-N 3.49Å; A480-S483 PolarHBondContact O-OG 2.84Å; S483-R485 VanDerWaalsContact C-N 3.32Å; S483-R485 PolarHBondContact O-N 3.22Å; S483-V486 VanDerWaalsContact O-CB 3.26Å; S483-V486 WeakPolarHBondContact O-CB 3.05Å; S483-V486 PolarHBondContact O-N 2.63Å; S483-V486 VanDerWaalsContact O-N 3.17Å
484	K	79.4	Confident	74.3	Confident	161 Å²	161	61.7 Å²	61.7	70%	0.7	32%	0.316	S	S	*	.	H	α-helix	trans	-66.8	-35.4	177.7	-170.5	177.4	178.2	-174.4	0	111.7	A480 Y481 Y482 V486	A480-K484 WeakPolarHBondContact O-CB 3.38Å; A480-K484 PolarHBondContact O-N 2.82Å; Y481-K484 PolarHBondContact O-N 3.22Å; Y482-K484 VanDerWaalsContact C-N 3.32Å; K484-V486 PolarHBondContact O-N 3.28Å
485	R	81.9	Confident	75.9	Confident	27 Å²	27	66 Å²	66	10%	0.102	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.7	175.3	-66.8	177.2	172.2	-154.1	-10.2	113.8	Y481 Y482 S483 G487 E488 Y491 N509 G511	Y481-R485 PolarHBondContact O-N 3.46Å; Y481-R485 PolarHBondContact OH-NH2 2.91Å; Y482-R485 PolarHBondContact O-N 2.98Å; S483-R485 VanDerWaalsContact C-N 3.32Å; S483-R485 PolarHBondContact O-N 3.22Å; R485-G487 PolarHBondContact O-N 2.95Å; R485-E488 WeakPolarHBondContact O-CB 3.16Å; R485-E488 PolarHBondContact O-N 3.41Å; R485-Y491 HydrophobicContact CB-CD1 4.29Å; R485-Y491 HydrophobicContact CB-CD2 4.1Å; R485-Y491 HydrophobicContact CB-CE1 4.48Å; R485-Y491 HydrophobicContact CB-CE2 4.26Å; R485-Y491 HydrophobicContact CB-CG 4.08Å; R485-Y491 HydrophobicContact CG-CE2 4.22Å; R485-Y491 VanDerWaalsContact CZ-OH 3.29Å; R485-Y491 PolarHBondContact NH1-OH 3.23Å; R485-Y491 WeakPolarHBondContact O-CB 3.36Å; R485-N509 PolarHBondContact NH1-O 3.41Å; R485-G511 PolarHBondContact NH1-O 3.29Å
486	V	83	Confident	77.5	Confident	17 Å²	17	61.5 Å²	61.5	10%	0.103	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	124.8	179.8	172.8	0	0	0	0	110.2	S483 K484 E488 I492 F498 L505	S483-V486 VanDerWaalsContact O-CB 3.26Å; S483-V486 WeakPolarHBondContact O-CB 3.05Å; S483-V486 PolarHBondContact O-N 2.63Å; S483-V486 VanDerWaalsContact O-N 3.17Å; K484-V486 PolarHBondContact O-N 3.28Å; V486-E488 VanDerWaalsContact C-N 3.31Å; V486-I492 HydrophobicContact CG1-CG2 4.45Å; V486-I492 HydrophobicContact CG2-CG2 4.06Å; V486-F498 HydrophobicContact CG1-CE2 4.2Å; V486-F498 HydrophobicContact CG1-CZ 4.26Å; V486-L505 HydrophobicContact CG2-CD1 3.55Å; V486-L505 HydrophobicContact CG2-CD2 4.25Å; V486-L505 HydrophobicContact CG2-CG 4.5Å
487	G	81.8	Confident	78.5	Confident	33 Å²	33	55.9 Å²	55.9	34%	0.34	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-6.2	-176.8	0	0	0	0	0	114.7	R485 I492	R485-G487 PolarHBondContact O-N 2.95Å; G487-I492 PolarHBondContact N-O 3.35Å
488	E	83.8	Confident	79.8	Confident	82 Å²	82	58.4 Å²	58.4	38%	0.383	30%	0.299	S	S	.	.	S	Bend	trans	-75.8	149.9	170.7	-70	-177.2	170.5	0	0	111.1	R485 V486 G490 Y491	R485-E488 WeakPolarHBondContact O-CB 3.16Å; R485-E488 PolarHBondContact O-N 3.41Å; V486-E488 VanDerWaalsContact C-N 3.31Å; E488-G490 PolarHBondContact O-N 3.43Å; E488-Y491 HydrophobicContact CB-CD2 3.78Å; E488-Y491 HydrophobicContact CB-CE2 4.41Å; E488-Y491 PolarHBondContact O-N 2.96Å; E488-Y491 VanDerWaalsContact O-N 3.11Å
489	P	83.5	Confident	81.2	Confident	56 Å²	56	66.1 Å²	66.1	36%	0.364	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	135.7	-176.9	27.7	-35.7	0	0	0	111.8	Y491 F572	P489-Y491 VanDerWaalsContact C-N 3.28Å; P489-F572 HydrophobicContact CB-CB 4.49Å; P489-F572 HydrophobicContact CB-CD1 3.68Å; P489-F572 HydrophobicContact CB-CD2 4.13Å; P489-F572 HydrophobicContact CB-CE1 3.74Å; P489-F572 HydrophobicContact CB-CE2 4.17Å; P489-F572 HydrophobicContact CB-CG 3.87Å; P489-F572 HydrophobicContact CB-CZ 3.98Å; P489-F572 HydrophobicContact CG-CD1 4.02Å; P489-F572 HydrophobicContact CG-CE1 3.8Å; P489-F572 HydrophobicContact CG-CZ 4.29Å; P489-F572 VanDerWaalsContact O-CZ 3.3Å; P489-F572 WeakPolarHBondContact O-CZ 3.5Å
490	G	83.3	Confident	82.1	Confident	4 Å²	4	65.6 Å²	65.6	4%	0.041	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-2.8	-174.7	0	0	0	0	0	114.8	Y453 E488 G514 E570	Y453-G490 WeakPolarHBondContact O-CA 3.41Å; E488-G490 PolarHBondContact O-N 3.43Å; G490-G514 PolarHBondContact O-N 3.46Å; G490-E570 PolarHBondContact N-O 2.96Å
491	Y	87.9	Confident	82.7	Confident	19 Å²	19	66.4 Å²	66.4	8%	0.075	33%	0.325	C	S	.	.	S	Bend	trans	-116.6	178.9	173.6	-59.2	-73.5	0	0	0	111.4	R485 E488 P489 N509 P513 I569 E570	R485-Y491 HydrophobicContact CB-CD1 4.29Å; R485-Y491 HydrophobicContact CB-CD2 4.1Å; R485-Y491 HydrophobicContact CB-CE1 4.48Å; R485-Y491 HydrophobicContact CB-CE2 4.26Å; R485-Y491 HydrophobicContact CB-CG 4.08Å; R485-Y491 HydrophobicContact CG-CE2 4.22Å; R485-Y491 VanDerWaalsContact CZ-OH 3.29Å; R485-Y491 PolarHBondContact NH1-OH 3.23Å; R485-Y491 WeakPolarHBondContact O-CB 3.36Å; E488-Y491 HydrophobicContact CB-CD2 3.78Å; E488-Y491 HydrophobicContact CB-CE2 4.41Å; E488-Y491 PolarHBondContact O-N 2.96Å; E488-Y491 VanDerWaalsContact O-N 3.11Å; P489-Y491 VanDerWaalsContact C-N 3.28Å; Y491-N509 HydrophobicContact CD1-CB 4.19Å; Y491-P513 HydrophobicContact CE2-CB 3.93Å; Y491-P513 WeakPolarHBondContact OH-CD 3.36Å; Y491-I569 WeakPolarHBondContact O-CG2 3.41Å; Y491-E570 PolarHBondContact O-N 3.2Å
492	I	88.8	Confident	83	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.031	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-66.5	139.5	-175.9	-164.9	144.2	0	0	0	113	V486 G487 I496 L500 L505 I508	V486-I492 HydrophobicContact CG1-CG2 4.45Å; V486-I492 HydrophobicContact CG2-CG2 4.06Å; G487-I492 PolarHBondContact N-O 3.35Å; I492-I496 HydrophobicContact CD1-CG2 4.1Å; I492-I496 HydrophobicContact CG1-CB 4.38Å; I492-I496 HydrophobicContact CG1-CG2 4.44Å; I492-L500 HydrophobicContact CD1-CD1 3.25Å; I492-L500 HydrophobicContact CG1-CD1 4.37Å; I492-L505 HydrophobicContact CG2-CD1 3.92Å; I492-I508 HydrophobicContact CB-CG2 4.25Å; I492-I508 HydrophobicContact CD1-CD1 3.94Å; I492-I508 HydrophobicContact CD1-CG2 4.39Å
493	K	89.5	Confident	83.3	Confident	63 Å²	63	76.3 Å²	76.3	27%	0.274	37%	0.369	S	S	.	.			trans	-55.4	139.4	173.7	-84.8	169.2	-177.8	174.1	0	112.5	K495 I496 G497 S567 F568 I569 E570	K493-K495 VanDerWaalsContact C-N 3.3Å; K493-K495 PolarHBondContact O-N 3.2Å; K493-I496 HydrophobicContact CB-CD1 3.73Å; K493-I496 HydrophobicContact CD-CD1 4.36Å; K493-I496 PolarHBondContact O-N 3.25Å; K493-G497 PolarHBondContact O-N 3.22Å; K493-S567 PolarHBondContact NZ-O 3.19Å; K493-F568 VanDerWaalsContact CB-O 3.3Å; K493-F568 WeakPolarHBondContact CB-O 3.39Å; K493-F568 WeakPolarHBondContact CG-O 3.29Å; K493-F568 PolarHBondContact N-O 3.41Å; K493-I569 WeakPolarHBondContact CE-O 3.39Å; K493-E570 WeakPolarHBondContact CE-OE2 3.47Å; K493-E570 HydrophobicContact CG-CB 4.29Å; K493-E570 WeakPolarHBondContact CG-OE2 3.2Å
494	S	84.1	Confident	83.7	Confident	58 Å²	58	78.4 Å²	78.4	41%	0.406	37%	0.374	S	S	.	.	H	α-helix	trans	-53.8	-42.9	179.4	63.2	0	0	0	0	113.9	I496 G497 F498	S494-I496 PolarHBondContact O-N 3.09Å; S494-I496 VanDerWaalsContact O-N 3.16Å; S494-G497 PolarHBondContact O-N 2.78Å; S494-F498 WeakPolarHBondContact O-CD2 3.48Å; S494-F498 PolarHBondContact O-N 2.69Å
495	K	84.4	Confident	83.9	Confident	175 Å²	175	71.3 Å²	71.3	76%	0.761	34%	0.343	S	S	*	.	H	α-helix	trans	-56.4	-33	179.3	-65.8	-175.7	179	-178.4	0	113.9	K493	K493-K495 VanDerWaalsContact C-N 3.3Å; K493-K495 PolarHBondContact O-N 3.2Å
496	I	84.4	Confident	84	Confident	44 Å²	44	74.2 Å²	74.2	23%	0.226	36%	0.357	C	S	.	.	H	α-helix	trans	-99.7	-37.5	-178.6	-60.2	102.9	0	0	0	110.8	I492 K493 S494 F498 R499 L500 F568	I492-I496 HydrophobicContact CD1-CG2 4.1Å; I492-I496 HydrophobicContact CG1-CB 4.38Å; I492-I496 HydrophobicContact CG1-CG2 4.44Å; K493-I496 HydrophobicContact CB-CD1 3.73Å; K493-I496 HydrophobicContact CD-CD1 4.36Å; K493-I496 PolarHBondContact O-N 3.25Å; S494-I496 PolarHBondContact O-N 3.09Å; S494-I496 VanDerWaalsContact O-N 3.16Å; I496-F498 VanDerWaalsContact C-N 3.33Å; I496-F498 PolarHBondContact O-N 3.24Å; I496-R499 PolarHBondContact O-N 3.4Å; I496-L500 HydrophobicContact CG2-CD1 4.14Å; I496-L500 HydrophobicContact CG2-CG 4.43Å; I496-F568 HydrophobicContact CD1-CB 4.44Å; I496-F568 HydrophobicContact CD1-CD1 3.87Å; I496-F568 HydrophobicContact CD1-CE1 4.46Å; I496-F568 HydrophobicContact CD1-CG 4.32Å; I496-F568 HydrophobicContact CG1-CD1 4.16Å; I496-F568 HydrophobicContact CG1-CE1 4.46Å; I496-F568 HydrophobicContact CG1-CG 4.42Å
497	G	79.4	Confident	84.1	Confident	3 Å²	3	80.3 Å²	80.3	3%	0.031	38%	0.382	C	S	.	.	H	α-helix	trans	-53.1	-45.8	-176.2	0	0	0	0	0	113.3	K493 S494 R499 L500	K493-G497 PolarHBondContact O-N 3.22Å; S494-G497 PolarHBondContact O-N 2.78Å; G497-R499 PolarHBondContact O-N 3.33Å; G497-L500 PolarHBondContact O-N 2.94Å
498	F	81.2	Confident	84.3	Confident	161 Å²	161	80.3 Å²	80.3	71%	0.706	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-9.4	179.8	-63.9	-63.5	0	0	0	114.9	V486 S494 I496	V486-F498 HydrophobicContact CG1-CE2 4.2Å; V486-F498 HydrophobicContact CG1-CZ 4.26Å; S494-F498 WeakPolarHBondContact O-CD2 3.48Å; S494-F498 PolarHBondContact O-N 2.69Å; I496-F498 VanDerWaalsContact C-N 3.33Å; I496-F498 PolarHBondContact O-N 3.24Å
499	R	85.7	Confident	84.3	Confident	223 Å²	223	76.4 Å²	76.4	84%	0.842	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-9.3	175.6	-65.2	-176.2	178.5	180	-1.4	113.1	I496 G497	I496-R499 PolarHBondContact O-N 3.4Å; G497-R499 PolarHBondContact O-N 3.33Å
500	L	82.8	Confident	84.2	Confident	41 Å²	41	77.2 Å²	77.2	22%	0.215	36%	0.362	C	S	.	.	S	Bend	trans	-88.6	151.4	-175.9	-73	165.5	0	0	0	111.2	I492 I496 G497 M504 I508	I492-L500 HydrophobicContact CD1-CD1 3.25Å; I492-L500 HydrophobicContact CG1-CD1 4.37Å; I496-L500 HydrophobicContact CG2-CD1 4.14Å; I496-L500 HydrophobicContact CG2-CG 4.43Å; G497-L500 PolarHBondContact O-N 2.94Å; L500-M504 HydrophobicContact CB-CB 4.44Å; L500-M504 HydrophobicContact CD2-CB 4.3Å; L500-M504 HydrophobicContact CD2-CE 3.58Å; L500-M504 HydrophobicContact CD2-SD 3.8Å; L500-I508 HydrophobicContact CD1-CD1 4.03Å
501	S	84.7	Confident	84.1	Confident	64 Å²	64	78.1 Å²	78.1	45%	0.448	37%	0.372	S	S	.	.			trans	-68.2	151.4	170.6	66.4	0	0	0	0	111.3	R503 M504 L505	S501-R503 PolarHBondContact O-N 3.02Å; S501-R503 VanDerWaalsContact O-N 3.15Å; S501-M504 PolarHBondContact O-N 3.01Å; S501-M504 WeakPolarHBondContact OG-CG 3.17Å; S501-L505 PolarHBondContact O-N 3.23Å
502	D	81	Confident	83.8	Confident	93 Å²	93	80.5 Å²	80.5	50%	0.497	39%	0.389	S	S	.	.	H	α-helix	trans	-55	-36.5	-179.2	-63.9	-27.1	0	0	0	113	N479 L505 K506	N479-D502 PolarHBondContact ND2-OD2 3.39Å; D502-L505 PolarHBondContact O-N 2.81Å; D502-K506 WeakPolarHBondContact O-CB 3.43Å; D502-K506 PolarHBondContact O-N 2.81Å
503	R	83.3	Confident	83.4	Confident	221 Å²	221	81.4 Å²	81.4	83%	0.834	40%	0.395	S	S	*	.	H	α-helix	trans	-64.5	-42.4	177.1	-65.9	-175.6	-172.9	172.8	2.5	112.3	S501 F507	S501-R503 PolarHBondContact O-N 3.02Å; S501-R503 VanDerWaalsContact O-N 3.15Å; R503-F507 PolarHBondContact O-N 3.48Å
504	M	84.1	Confident	83.3	Confident	96 Å²	96	78.5 Å²	78.5	47%	0.473	38%	0.382	S	S	.	.	H	α-helix	trans	-68.6	-40.8	177	-69.1	-179.8	76.7	0	0	110.9	L500 S501 K506 F507 I508	L500-M504 HydrophobicContact CB-CB 4.44Å; L500-M504 HydrophobicContact CD2-CB 4.3Å; L500-M504 HydrophobicContact CD2-CE 3.58Å; L500-M504 HydrophobicContact CD2-SD 3.8Å; S501-M504 PolarHBondContact O-N 3.01Å; S501-M504 WeakPolarHBondContact OG-CG 3.17Å; M504-K506 VanDerWaalsContact C-N 3.34Å; M504-K506 PolarHBondContact O-N 2.87Å; M504-F507 PolarHBondContact O-N 3.46Å; M504-I508 VanDerWaalsContact O-CG1 3.26Å; M504-I508 WeakPolarHBondContact O-CG1 3.49Å; M504-I508 PolarHBondContact O-N 3Å
505	L	83.9	Confident	83.4	Confident	12 Å²	12	77.2 Å²	77.2	6%	0.063	37%	0.373	C	S	.	.	H	α-helix	trans	-61.1	-45	177	-173	68.1	0	0	0	111.2	V486 I492 S501 D502 F507 I508 N509	V486-L505 HydrophobicContact CG2-CD1 3.55Å; V486-L505 HydrophobicContact CG2-CD2 4.25Å; V486-L505 HydrophobicContact CG2-CG 4.5Å; I492-L505 HydrophobicContact CG2-CD1 3.92Å; S501-L505 PolarHBondContact O-N 3.23Å; D502-L505 PolarHBondContact O-N 2.81Å; L505-F507 PolarHBondContact O-N 3.1Å; L505-I508 PolarHBondContact O-N 3.38Å; L505-N509 WeakPolarHBondContact CD1-ND2 3.36Å; L505-N509 WeakPolarHBondContact O-CB 3.26Å; L505-N509 PolarHBondContact O-N 2.89Å
506	K	83.8	Confident	83.7	Confident	88 Å²	88	70.3 Å²	70.3	38%	0.383	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-46.2	174.2	-179.2	165.9	-176.2	168.3	0	111.8	Q478 Y482 D502 M504 I508 S510	Q478-K506 VanDerWaalsContact OE1-NZ 3.07Å; Y482-K506 HydrophobicContact CD2-CB 4.14Å; Y482-K506 HydrophobicContact CD2-CG 4.22Å; Y482-K506 HydrophobicContact CE2-CB 4.07Å; Y482-K506 HydrophobicContact CE2-CD 3.91Å; Y482-K506 HydrophobicContact CE2-CG 3.63Å; D502-K506 WeakPolarHBondContact O-CB 3.43Å; D502-K506 PolarHBondContact O-N 2.81Å; M504-K506 VanDerWaalsContact C-N 3.34Å; M504-K506 PolarHBondContact O-N 2.87Å; K506-I508 PolarHBondContact O-N 3.41Å; K506-S510 WeakPolarHBondContact O-CB 3.44Å; K506-S510 PolarHBondContact O-N 2.68Å; K506-S510 PolarHBondContact O-OG 3.25Å
507	F	85.4	Confident	84	Confident	145 Å²	145	68.3 Å²	68.3	64%	0.636	33%	0.334	S	S	*	.	H	α-helix	trans	-63.5	-40.9	178.6	-178.9	-106	0	0	0	112.8	R503 M504 L505 S510 M516	R503-F507 PolarHBondContact O-N 3.48Å; M504-F507 PolarHBondContact O-N 3.46Å; L505-F507 PolarHBondContact O-N 3.1Å; F507-S510 PolarHBondContact O-OG 3.19Å; F507-M516 HydrophobicContact CD1-CE 3.79Å; F507-M516 HydrophobicContact CE1-CE 3.5Å; F507-M516 VanDerWaalsContact CE1-CE 3.5Å; F507-M516 HydrophobicContact CZ-CE 4.28Å
508	I	84.8	Confident	84.6	Confident	33 Å²	33	70.9 Å²	70.9	17%	0.169	35%	0.349	C	S	.	.	H	α-helix	trans	-75.1	-38.9	-178.2	-64.3	166.2	0	0	0	111.3	I492 L500 M504 L505 K506 M516	I492-I508 HydrophobicContact CB-CG2 4.25Å; I492-I508 HydrophobicContact CD1-CD1 3.94Å; I492-I508 HydrophobicContact CD1-CG2 4.39Å; L500-I508 HydrophobicContact CD1-CD1 4.03Å; M504-I508 VanDerWaalsContact O-CG1 3.26Å; M504-I508 WeakPolarHBondContact O-CG1 3.49Å; M504-I508 PolarHBondContact O-N 3Å; L505-I508 PolarHBondContact O-N 3.38Å; K506-I508 PolarHBondContact O-N 3.41Å; I508-M516 HydrophobicContact CB-CG 4.46Å; I508-M516 HydrophobicContact CG1-CE 4.24Å; I508-M516 HydrophobicContact CG2-CG 4.13Å; I508-M516 WeakPolarHBondContact O-CG 3.48Å
509	N	84.4	Confident	85.2	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-101.6	7	-172.9	-70.9	-4.9	0	0	0	114.1	Y482 R485 Y491 L505 G511	Y482-N509 HydrophobicContact CD1-CB 3.97Å; Y482-N509 PolarHBondContact O-ND2 2.9Å; R485-N509 PolarHBondContact NH1-O 3.41Å; Y491-N509 HydrophobicContact CD1-CB 4.19Å; L505-N509 WeakPolarHBondContact CD1-ND2 3.36Å; L505-N509 WeakPolarHBondContact O-CB 3.26Å; L505-N509 PolarHBondContact O-N 2.89Å; N509-G511 VanDerWaalsContact C-N 3.31Å; N509-G511 PolarHBondContact O-N 3.12Å
510	S	81.3	Confident	85.6	Confident	72 Å²	72	60.8 Å²	60.8	50%	0.503	31%	0.309	S	S	.	.	S	Bend	trans	-71.1	-22.1	179.8	57.3	0	0	0	0	114.6	K506 F507	K506-S510 WeakPolarHBondContact O-CB 3.44Å; K506-S510 PolarHBondContact O-N 2.68Å; K506-S510 PolarHBondContact O-OG 3.25Å; F507-S510 PolarHBondContact O-OG 3.19Å
511	G	80.5	Confident	86.2	Confident	24 Å²	24	59.2 Å²	59.2	25%	0.247	30%	0.301	C	S	.	.	S	Bend	trans	-86.6	-174.6	-175.1	0	0	0	0	0	115.1	R485 N509	R485-G511 PolarHBondContact NH1-O 3.29Å; N509-G511 VanDerWaalsContact C-N 3.31Å; N509-G511 PolarHBondContact O-N 3.12Å
512	V	82.1	Confident	86.7	Confident	69 Å²	69	58.5 Å²	58.5	42%	0.418	30%	0.296	S	S	.	.	S	Bend	trans	-65.9	149.8	163.2	179	0	0	0	0	107.7	G514 S515	V512-G514 PolarHBondContact O-N 3.37Å; V512-G514 VanDerWaalsContact O-N 3.12Å; V512-S515 PolarHBondContact N-OG 3.07Å; V512-S515 VanDerWaalsContact O-CB 3.29Å; V512-S515 WeakPolarHBondContact O-CB 3.43Å; V512-S515 PolarHBondContact O-N 2.97Å; V512-S515 PolarHBondContact O-OG 3.15Å; V512-S515 VanDerWaalsContact O-OG 3.1Å
513	P	81.5	Confident	87.4	Confident	25 Å²	25	58 Å²	58	16%	0.162	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	123.1	177.6	21.6	-36.2	0	0	0	111.6	Y491 F572	Y491-P513 HydrophobicContact CE2-CB 3.93Å; Y491-P513 WeakPolarHBondContact OH-CD 3.36Å; P513-F572 HydrophobicContact CB-CE2 4.49Å; P513-F572 HydrophobicContact CB-CZ 3.93Å; P513-F572 HydrophobicContact CG-CZ 4.49Å
514	G	85.7	Confident	88	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.01	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-1.7	-176.3	0	0	0	0	0	116.3	Y453 G490 V512 M516 V517 V518	Y453-G514 WeakPolarHBondContact O-CA 3.43Å; G490-G514 PolarHBondContact O-N 3.46Å; V512-G514 PolarHBondContact O-N 3.37Å; V512-G514 VanDerWaalsContact O-N 3.12Å; G514-M516 VanDerWaalsContact C-N 3.29Å; G514-M516 PolarHBondContact O-N 3.16Å; G514-V517 WeakPolarHBondContact O-CB 3.13Å; G514-V517 PolarHBondContact O-N 3.44Å; G514-V517 VanDerWaalsContact O-N 3.07Å; G514-V518 PolarHBondContact O-N 2.8Å
515	S	87.7	Confident	88.6	Confident	31 Å²	31	45.1 Å²	45.1	22%	0.217	24%	0.241	C	C	.	.	H	α-helix	trans	-55.7	-42.7	176.5	-77.2	0	0	0	0	112.3	V512 V517 V518 Y519	V512-S515 PolarHBondContact N-OG 3.07Å; V512-S515 VanDerWaalsContact O-CB 3.29Å; V512-S515 WeakPolarHBondContact O-CB 3.43Å; V512-S515 PolarHBondContact O-N 2.97Å; V512-S515 PolarHBondContact O-OG 3.15Å; V512-S515 VanDerWaalsContact O-OG 3.1Å; S515-V517 VanDerWaalsContact C-N 3.27Å; S515-V517 PolarHBondContact O-N 3.25Å; S515-V518 WeakPolarHBondContact O-CB 3.27Å; S515-V518 PolarHBondContact O-N 3.31Å; S515-V518 VanDerWaalsContact O-N 3.15Å; S515-Y519 WeakPolarHBondContact O-CD2 3.05Å; S515-Y519 PolarHBondContact O-N 3.18Å
516	M	90	Very high	89.2	Confident	30 Å²	30	50 Å²	50	15%	0.148	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-34.5	177	-69.8	-54.9	-72.4	0	0	113.2	F507 I508 G514 V518 Y519 L520 I569	F507-M516 HydrophobicContact CD1-CE 3.79Å; F507-M516 HydrophobicContact CE1-CE 3.5Å; F507-M516 VanDerWaalsContact CE1-CE 3.5Å; F507-M516 HydrophobicContact CZ-CE 4.28Å; I508-M516 HydrophobicContact CB-CG 4.46Å; I508-M516 HydrophobicContact CG1-CE 4.24Å; I508-M516 HydrophobicContact CG2-CG 4.13Å; I508-M516 WeakPolarHBondContact O-CG 3.48Å; G514-M516 VanDerWaalsContact C-N 3.29Å; G514-M516 PolarHBondContact O-N 3.16Å; M516-V518 VanDerWaalsContact C-N 3.32Å; M516-V518 PolarHBondContact O-N 3.15Å; M516-Y519 PolarHBondContact O-N 3.47Å; M516-Y519 HydrophobicContact SD-CD2 4.32Å; M516-L520 VanDerWaalsContact O-CG 3.32Å; M516-L520 WeakPolarHBondContact O-CG 3.19Å; M516-L520 PolarHBondContact O-N 2.84Å; M516-I569 HydrophobicContact CB-CD1 4.07Å
517	V	91.2	Very high	89.8	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-38.1	176.4	176	0	0	0	0	111	Y453 G514 S515 Y519 L520 I521 I566 I569	Y453-V517 HydrophobicContact CD1-CG2 4.2Å; Y453-V517 HydrophobicContact CD2-CG1 4.08Å; Y453-V517 HydrophobicContact CG-CG1 4.16Å; Y453-V517 HydrophobicContact CG-CG2 3.91Å; G514-V517 WeakPolarHBondContact O-CB 3.13Å; G514-V517 PolarHBondContact O-N 3.44Å; G514-V517 VanDerWaalsContact O-N 3.07Å; S515-V517 VanDerWaalsContact C-N 3.27Å; S515-V517 PolarHBondContact O-N 3.25Å; V517-Y519 VanDerWaalsContact C-N 3.34Å; V517-Y519 PolarHBondContact O-N 3.11Å; V517-L520 PolarHBondContact O-N 3.33Å; V517-I521 HydrophobicContact CG1-CD1 3.6Å; V517-I521 HydrophobicContact CG1-CG1 4.06Å; V517-I521 WeakPolarHBondContact O-CB 3.04Å; V517-I521 WeakPolarHBondContact O-CG1 3.37Å; V517-I521 PolarHBondContact O-N 3.34Å; V517-I566 HydrophobicContact CG1-CG2 4.35Å; V517-I569 HydrophobicContact CG2-CB 4.16Å; V517-I569 HydrophobicContact CG2-CD1 3.35Å; V517-I569 HydrophobicContact CG2-CG1 4.31Å; V517-I569 HydrophobicContact CG2-CG2 3.91Å
518	V	92	Very high	90.2	Very high	56 Å²	56	40.2 Å²	40.2	34%	0.339	22%	0.224	S	C	.	.	H	α-helix	trans	-62.9	-41.7	176.3	-179.5	0	0	0	0	111.3	G514 S515 M516 I521 S522	G514-V518 PolarHBondContact O-N 2.8Å; S515-V518 WeakPolarHBondContact O-CB 3.27Å; S515-V518 PolarHBondContact O-N 3.31Å; S515-V518 VanDerWaalsContact O-N 3.15Å; M516-V518 VanDerWaalsContact C-N 3.32Å; M516-V518 PolarHBondContact O-N 3.15Å; V518-I521 PolarHBondContact O-N 2.8Å; V518-S522 PolarHBondContact O-N 3.3Å; V518-S522 PolarHBondContact O-OG 3.08Å
519	Y	92.7	Very high	90.7	Very high	153 Å²	153	43.3 Å²	43.3	60%	0.6	24%	0.24	S	C	*	.	H	α-helix	trans	-64	-42.9	174.1	-69.4	-64	0	0	0	112.3	S515 M516 V517 S522 I523	S515-Y519 WeakPolarHBondContact O-CD2 3.05Å; S515-Y519 PolarHBondContact O-N 3.18Å; M516-Y519 PolarHBondContact O-N 3.47Å; M516-Y519 HydrophobicContact SD-CD2 4.32Å; V517-Y519 VanDerWaalsContact C-N 3.34Å; V517-Y519 PolarHBondContact O-N 3.11Å; Y519-S522 VanDerWaalsContact CA-OG 3.3Å; Y519-S522 WeakPolarHBondContact CA-OG 3.49Å; Y519-S522 PolarHBondContact O-N 2.98Å; Y519-S522 PolarHBondContact O-OG 3.46Å; Y519-I523 VanDerWaalsContact O-CG1 3.3Å; Y519-I523 WeakPolarHBondContact O-CG1 3.29Å; Y519-I523 PolarHBondContact O-N 3.17Å
520	L	94.8	Very high	91.2	Very high	20 Å²	20	45.3 Å²	45.3	11%	0.105	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-39.1	177.1	-69.5	171.1	0	0	0	112.5	M516 V517 I523 Y524 L565 I566 I569	M516-L520 VanDerWaalsContact O-CG 3.32Å; M516-L520 WeakPolarHBondContact O-CG 3.19Å; M516-L520 PolarHBondContact O-N 2.84Å; V517-L520 PolarHBondContact O-N 3.33Å; L520-I523 PolarHBondContact O-N 3.23Å; L520-Y524 VanDerWaalsContact O-CB 3.29Å; L520-Y524 WeakPolarHBondContact O-CB 3.17Å; L520-Y524 PolarHBondContact O-N 2.62Å; L520-L565 HydrophobicContact CD1-CB 3.94Å; L520-L565 HydrophobicContact CD2-CB 4.08Å; L520-L565 HydrophobicContact CD2-CD1 3.93Å; L520-I566 HydrophobicContact CB-CD1 4.12Å; L520-I566 HydrophobicContact CB-CG1 3.68Å; L520-I566 HydrophobicContact CD1-CG1 3.83Å; L520-I566 HydrophobicContact CG-CG1 4.38Å; L520-I569 HydrophobicContact CD1-CD1 4.1Å
521	I	94.7	Very high	91.8	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-42	175.1	-70.1	167.6	0	0	0	110.6	I446 L449 V517 V518 Y524 I525 I566	I446-I521 HydrophobicContact CG1-CG2 4.47Å; L449-I521 HydrophobicContact CB-CD1 3.67Å; L449-I521 HydrophobicContact CD1-CD1 4.15Å; L449-I521 HydrophobicContact CD1-CG1 4.19Å; V517-I521 HydrophobicContact CG1-CD1 3.6Å; V517-I521 HydrophobicContact CG1-CG1 4.06Å; V517-I521 WeakPolarHBondContact O-CB 3.04Å; V517-I521 WeakPolarHBondContact O-CG1 3.37Å; V517-I521 PolarHBondContact O-N 3.34Å; V518-I521 PolarHBondContact O-N 2.8Å; I521-Y524 WeakPolarHBondContact O-CB 3.01Å; I521-Y524 PolarHBondContact O-N 3.12Å; I521-I525 HydrophobicContact CG2-CD1 3.83Å; I521-I525 HydrophobicContact CG2-CG1 4.42Å; I521-I525 VanDerWaalsContact O-CG1 3.28Å; I521-I525 WeakPolarHBondContact O-CG1 3.43Å; I521-I525 PolarHBondContact O-N 2.9Å; I521-I566 HydrophobicContact CG1-CD1 4.47Å
522	S	95.2	Very high	92.4	Very high	49 Å²	49	42.1 Å²	42.1	34%	0.343	23%	0.228	S	C	.	.	H	α-helix	trans	-66.6	-42.1	178.4	36.6	0	0	0	0	111.8	V518 Y519 Y524 I525 I526	V518-S522 PolarHBondContact O-N 3.3Å; V518-S522 PolarHBondContact O-OG 3.08Å; Y519-S522 VanDerWaalsContact CA-OG 3.3Å; Y519-S522 WeakPolarHBondContact CA-OG 3.49Å; Y519-S522 PolarHBondContact O-N 2.98Å; Y519-S522 PolarHBondContact O-OG 3.46Å; S522-Y524 VanDerWaalsContact C-N 3.33Å; S522-Y524 PolarHBondContact O-N 2.81Å; S522-I525 PolarHBondContact O-N 3.12Å; S522-I526 VanDerWaalsContact O-CG1 3.3Å; S522-I526 WeakPolarHBondContact O-CG1 3.3Å; S522-I526 PolarHBondContact O-N 3.16Å
523	I	95.8	Very high	92.7	Very high	81 Å²	81	39.8 Å²	39.8	42%	0.415	22%	0.218	S	C	.	.	H	α-helix	trans	-59.4	-45	170.3	-65.7	166.1	0	0	0	110.6	Y519 L520 I525 I526 L527 T562	Y519-I523 VanDerWaalsContact O-CG1 3.3Å; Y519-I523 WeakPolarHBondContact O-CG1 3.29Å; Y519-I523 PolarHBondContact O-N 3.17Å; L520-I523 PolarHBondContact O-N 3.23Å; I523-I525 VanDerWaalsContact C-N 3.34Å; I523-I525 PolarHBondContact O-N 3.1Å; I523-I526 PolarHBondContact O-N 3.38Å; I523-L527 HydrophobicContact CG2-CD1 3.82Å; I523-L527 HydrophobicContact CG2-CG 4.23Å; I523-L527 WeakPolarHBondContact O-CB 3.31Å; I523-L527 WeakPolarHBondContact O-CG 3.22Å; I523-L527 PolarHBondContact O-N 3.35Å; I523-T562 HydrophobicContact CG2-CG2 3.97Å
524	Y	96.8	Very high	93.1	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.035	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-42.8	178.2	-176.3	-87.1	0	0	0	112.5	L520 I521 S522 L527 S528 L559 T562 I563 C590 L593 T594	L520-Y524 VanDerWaalsContact O-CB 3.29Å; L520-Y524 WeakPolarHBondContact O-CB 3.17Å; L520-Y524 PolarHBondContact O-N 2.62Å; I521-Y524 WeakPolarHBondContact O-CB 3.01Å; I521-Y524 PolarHBondContact O-N 3.12Å; S522-Y524 VanDerWaalsContact C-N 3.33Å; S522-Y524 PolarHBondContact O-N 2.81Å; Y524-L527 PolarHBondContact O-N 3.05Å; Y524-S528 WeakPolarHBondContact CE1-OG 3.39Å; Y524-S528 WeakPolarHBondContact O-CB 3.48Å; Y524-S528 PolarHBondContact O-N 3.34Å; Y524-S528 PolarHBondContact O-OG 3.5Å; Y524-L559 HydrophobicContact CD2-CD2 3.63Å; Y524-L559 HydrophobicContact CE1-CD2 4.44Å; Y524-L559 HydrophobicContact CE2-CB 4.29Å; Y524-L559 HydrophobicContact CE2-CD2 3.54Å; Y524-L559 HydrophobicContact CG-CD2 4.1Å; Y524-T562 WeakPolarHBondContact CD2-OG1 3.25Å; Y524-I563 HydrophobicContact CD2-CG1 4.21Å; Y524-I563 HydrophobicContact CE2-CD1 3.83Å; Y524-I563 HydrophobicContact CE2-CG1 3.66Å; Y524-C590 HydrophobicContact CE1-CB 4.05Å; Y524-C590 WeakPolarHBondContact CE1-O 3.43Å; Y524-C590 HydrophobicContact CE2-CB 3.93Å; Y524-C590 PolarHBondContact OH-O 3.24Å; Y524-L593 HydrophobicContact CD1-CD2 4.08Å; Y524-L593 HydrophobicContact CE1-CD2 4.26Å; Y524-T594 VanDerWaalsContact CE1-OG1 3.31Å; Y524-T594 WeakPolarHBondContact CE1-OG1 3.49Å; Y524-T594 VanDerWaalsContact CZ-OG1 3.29Å; Y524-T594 PolarHBondContact OH-OG1 3.44Å
525	I	95.7	Very high	93.2	Very high	39 Å²	39	44.4 Å²	44.4	20%	0.2	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-46.2	177.1	-70.1	165	0	0	0	110.3	I446 I521 S522 I523 L527 S528 I529 L593	I446-I525 HydrophobicContact CD1-CD1 3.85Å; I446-I525 HydrophobicContact CG1-CD1 4.35Å; I521-I525 HydrophobicContact CG2-CD1 3.83Å; I521-I525 HydrophobicContact CG2-CG1 4.42Å; I521-I525 VanDerWaalsContact O-CG1 3.28Å; I521-I525 WeakPolarHBondContact O-CG1 3.43Å; I521-I525 PolarHBondContact O-N 2.9Å; S522-I525 PolarHBondContact O-N 3.12Å; I523-I525 VanDerWaalsContact C-N 3.34Å; I523-I525 PolarHBondContact O-N 3.1Å; I525-L527 PolarHBondContact O-N 2.96Å; I525-S528 PolarHBondContact O-N 3.31Å; I525-I529 HydrophobicContact CG2-CD1 3.81Å; I525-I529 HydrophobicContact CG2-CG1 4.48Å; I525-I529 VanDerWaalsContact O-CG1 3.31Å; I525-I529 WeakPolarHBondContact O-CG1 3.38Å; I525-I529 PolarHBondContact O-N 3.12Å; I525-L593 HydrophobicContact CD1-CD2 4.37Å; I525-L593 HydrophobicContact CG1-CD2 3.85Å
526	I	96.2	Very high	93	Very high	113 Å²	113	45.5 Å²	45.5	58%	0.579	25%	0.249	S	C	*	.	H	α-helix	trans	-60.6	-45.9	178.2	-66.7	165	0	0	0	110.6	S522 I523 S528 I529 A530	S522-I526 VanDerWaalsContact O-CG1 3.3Å; S522-I526 WeakPolarHBondContact O-CG1 3.3Å; S522-I526 PolarHBondContact O-N 3.16Å; I523-I526 PolarHBondContact O-N 3.38Å; I526-S528 VanDerWaalsContact C-N 3.33Å; I526-S528 PolarHBondContact O-N 2.93Å; I526-I529 PolarHBondContact O-N 2.94Å; I526-A530 WeakPolarHBondContact O-CB 3.38Å; I526-A530 PolarHBondContact O-N 3.35Å
527	L	96.4	Very high	92.7	Very high	29 Å²	29	51.2 Å²	51.2	15%	0.152	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-37.8	176.3	-71.1	173.2	0	0	0	112.1	I523 Y524 I525 A530 L531 I555 L558 L559 T562	I523-L527 HydrophobicContact CG2-CD1 3.82Å; I523-L527 HydrophobicContact CG2-CG 4.23Å; I523-L527 WeakPolarHBondContact O-CB 3.31Å; I523-L527 WeakPolarHBondContact O-CG 3.22Å; I523-L527 PolarHBondContact O-N 3.35Å; Y524-L527 PolarHBondContact O-N 3.05Å; I525-L527 PolarHBondContact O-N 2.96Å; L527-A530 PolarHBondContact O-N 3.23Å; L527-L531 WeakPolarHBondContact O-CB 3.47Å; L527-L531 PolarHBondContact O-N 3.03Å; L527-I555 HydrophobicContact CB-CG2 4.48Å; L527-I555 WeakPolarHBondContact O-CG2 3.29Å; L527-L558 HydrophobicContact CD1-CB 3.82Å; L527-L558 HydrophobicContact CD2-CB 4.18Å; L527-L558 HydrophobicContact CD2-CD1 4.05Å; L527-L559 HydrophobicContact CB-CD2 3.54Å; L527-L559 HydrophobicContact CB-CG 3.95Å; L527-L559 HydrophobicContact CD1-CD2 4.44Å; L527-T562 HydrophobicContact CD1-CG2 3.98Å
528	S	95.4	Very high	92	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.2	-42.8	176.1	-65.8	0	0	0	0	111.1	Y524 I525 I526 L531 I532 T594	Y524-S528 WeakPolarHBondContact CE1-OG 3.39Å; Y524-S528 WeakPolarHBondContact O-CB 3.48Å; Y524-S528 PolarHBondContact O-N 3.34Å; Y524-S528 PolarHBondContact O-OG 3.5Å; I525-S528 PolarHBondContact O-N 3.31Å; I526-S528 VanDerWaalsContact C-N 3.33Å; I526-S528 PolarHBondContact O-N 2.93Å; S528-L531 WeakPolarHBondContact O-CB 3.26Å; S528-L531 PolarHBondContact O-N 3.05Å; S528-I532 VanDerWaalsContact O-CD1 3.31Å; S528-I532 WeakPolarHBondContact O-CD1 3.37Å; S528-I532 WeakPolarHBondContact O-CG1 3.18Å; S528-I532 PolarHBondContact O-N 3.11Å; S528-T594 PolarHBondContact OG-OG1 3.43Å
529	I	94.9	Very high	91.5	Very high	97 Å²	97	54.9 Å²	54.9	50%	0.497	31%	0.31	S	S	.	.	H	α-helix	trans	-64.2	-42.4	175.2	-67.2	166.6	0	0	0	110.5	I525 I526 I532 G533	I525-I529 HydrophobicContact CG2-CD1 3.81Å; I525-I529 HydrophobicContact CG2-CG1 4.48Å; I525-I529 VanDerWaalsContact O-CG1 3.31Å; I525-I529 WeakPolarHBondContact O-CG1 3.38Å; I525-I529 PolarHBondContact O-N 3.12Å; I526-I529 PolarHBondContact O-N 2.94Å; I529-I532 PolarHBondContact O-N 2.72Å; I529-G533 PolarHBondContact O-N 3.1Å
530	A	94.1	Very high	90.9	Very high	42 Å²	42	54.1 Å²	54.1	35%	0.347	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-43.5	175.7	0	0	0	0	0	111.9	I526 L527 I532 G533 C534 I555	I526-A530 WeakPolarHBondContact O-CB 3.38Å; I526-A530 PolarHBondContact O-N 3.35Å; L527-A530 PolarHBondContact O-N 3.23Å; A530-I532 VanDerWaalsContact C-N 3.32Å; A530-I532 PolarHBondContact O-N 3.03Å; A530-G533 PolarHBondContact O-N 3.31Å; A530-C534 PolarHBondContact O-N 3.19Å; A530-C534 PolarHBondContact O-SG 3.49Å; A530-C534 VanDerWaalsContact O-SG 3.38Å; A530-I555 HydrophobicContact CB-CD1 4.25Å
531	L	94.3	Very high	90.4	Very high	17 Å²	17	55.6 Å²	55.6	9%	0.089	34%	0.341	C	S	.	.	H	α-helix	trans	-56.5	-48.5	174.8	-179.2	64.3	0	0	0	110.8	L527 S528 C534 L535 I552 I555 I556 L559	L527-L531 WeakPolarHBondContact O-CB 3.47Å; L527-L531 PolarHBondContact O-N 3.03Å; S528-L531 WeakPolarHBondContact O-CB 3.26Å; S528-L531 PolarHBondContact O-N 3.05Å; L531-C534 WeakPolarHBondContact O-CB 3.3Å; L531-C534 PolarHBondContact O-N 2.87Å; L531-L535 HydrophobicContact CG-CD1 4.14Å; L531-L535 WeakPolarHBondContact O-CG 3.03Å; L531-L535 PolarHBondContact O-N 2.97Å; L531-I552 HydrophobicContact CD1-CG2 4.02Å; L531-I555 HydrophobicContact CB-CG2 3.67Å; L531-I555 HydrophobicContact CD1-CB 4.35Å; L531-I555 HydrophobicContact CD1-CG2 4.13Å; L531-I555 HydrophobicContact CG-CG2 4.43Å; L531-I556 HydrophobicContact CD1-CD1 4.39Å; L531-I556 HydrophobicContact CD1-CG1 3.9Å; L531-I556 HydrophobicContact CD2-CG1 4.38Å; L531-L559 HydrophobicContact CB-CD1 4.35Å; L531-L559 HydrophobicContact CD2-CD1 3.73Å
532	I	92.3	Very high	90	Very high	12 Å²	12	66.1 Å²	66.1	6%	0.062	38%	0.381	C	S	.	.	H	α-helix	trans	-64.9	-44.7	-178.5	-68	160.4	0	0	0	110.6	S528 I529 A530 C534 L535 T536 L597 L598 S601	S528-I532 VanDerWaalsContact O-CD1 3.31Å; S528-I532 WeakPolarHBondContact O-CD1 3.37Å; S528-I532 WeakPolarHBondContact O-CG1 3.18Å; S528-I532 PolarHBondContact O-N 3.11Å; I529-I532 PolarHBondContact O-N 2.72Å; A530-I532 VanDerWaalsContact C-N 3.32Å; A530-I532 PolarHBondContact O-N 3.03Å; I532-C534 VanDerWaalsContact C-N 3.32Å; I532-C534 PolarHBondContact O-N 2.84Å; I532-L535 PolarHBondContact O-N 2.93Å; I532-T536 HydrophobicContact CG2-CG2 4.25Å; I532-T536 WeakPolarHBondContact O-CG2 3.48Å; I532-T536 PolarHBondContact O-N 3.24Å; I532-T536 PolarHBondContact O-OG1 3.39Å; I532-T536 VanDerWaalsContact O-OG1 3.09Å; I532-L597 VanDerWaalsContact CD1-C 3.42Å; I532-L597 HydrophobicContact CD1-CB 3.52Å; I532-L598 HydrophobicContact CD1-CB 4.37Å; I532-L598 HydrophobicContact CG1-CB 4.45Å; I532-L598 HydrophobicContact CG1-CD1 4.23Å; I532-L598 HydrophobicContact CG2-CD1 4.46Å; I532-S601 VanDerWaalsContact CG2-CB 3.4Å; I532-S601 WeakPolarHBondContact CG2-OG 3.46Å
533	G	89.7	Confident	89.7	Confident	21 Å²	21	70.3 Å²	70.3	22%	0.216	40%	0.398	C	S	.	.	H	α-helix	trans	-56.5	-47.6	173.5	0	0	0	0	0	111.4	I529 A530 L535 T536 F537	I529-G533 PolarHBondContact O-N 3.1Å; A530-G533 PolarHBondContact O-N 3.31Å; G533-L535 VanDerWaalsContact C-N 3.28Å; G533-L535 PolarHBondContact O-N 3.41Å; G533-T536 PolarHBondContact O-N 2.95Å; G533-T536 PolarHBondContact O-OG1 3.12Å; G533-F537 WeakPolarHBondContact O-CD2 3.2Å; G533-F537 PolarHBondContact O-N 3.45Å
534	C	89.6	Confident	89.3	Confident	39 Å²	39	68.3 Å²	68.3	26%	0.264	39%	0.393	S	S	.	.	H	α-helix	trans	-58.7	-39.2	173.7	-71.6	0	0	0	0	112	A530 L531 I532 K548 I552	A530-C534 PolarHBondContact O-N 3.19Å; A530-C534 PolarHBondContact O-SG 3.49Å; A530-C534 VanDerWaalsContact O-SG 3.38Å; L531-C534 WeakPolarHBondContact O-CB 3.3Å; L531-C534 PolarHBondContact O-N 2.87Å; I532-C534 VanDerWaalsContact C-N 3.32Å; I532-C534 PolarHBondContact O-N 2.84Å; C534-K548 WeakPolarHBondContact O-CE 3.23Å; C534-K548 PolarHBondContact O-NZ 3.18Å; C534-I552 HydrophobicContact CB-CG1 3.9Å
535	L	87.5	Confident	88.9	Confident	83 Å²	83	70.8 Å²	70.8	44%	0.435	41%	0.41	S	S	.	.	H	α-helix	trans	-68.4	-43.2	178.9	-70.8	169.8	0	0	0	112.6	L531 I532 G533 K548 I552	L531-L535 HydrophobicContact CG-CD1 4.14Å; L531-L535 WeakPolarHBondContact O-CG 3.03Å; L531-L535 PolarHBondContact O-N 2.97Å; I532-L535 PolarHBondContact O-N 2.93Å; G533-L535 VanDerWaalsContact C-N 3.28Å; G533-L535 PolarHBondContact O-N 3.41Å; L535-K548 PolarHBondContact O-NZ 3.21Å; L535-I552 HydrophobicContact CD2-CD1 3.91Å; L535-I552 HydrophobicContact CD2-CG1 4.47Å
536	T	82.6	Confident	88.7	Confident	55 Å²	55	75.3 Å²	75.3	34%	0.337	43%	0.428	S	S	.	.	H	α-helix	trans	-80.7	-35.4	-172.3	56.2	0	0	0	0	114.1	I532 G533 G538	I532-T536 HydrophobicContact CG2-CG2 4.25Å; I532-T536 WeakPolarHBondContact O-CG2 3.48Å; I532-T536 PolarHBondContact O-N 3.24Å; I532-T536 PolarHBondContact O-OG1 3.39Å; I532-T536 VanDerWaalsContact O-OG1 3.09Å; G533-T536 PolarHBondContact O-N 2.95Å; G533-T536 PolarHBondContact O-OG1 3.12Å; T536-G538 PolarHBondContact O-N 2.8Å
537	F	83.8	Confident	88.4	Confident	150 Å²	150	75.4 Å²	75.4	66%	0.658	43%	0.427	S	S	*	.	S	Bend	trans	-68.2	122.4	-178.8	-78.6	-70.4	0	0	0	111.6	G533 K548	G533-F537 WeakPolarHBondContact O-CD2 3.2Å; G533-F537 PolarHBondContact O-N 3.45Å; F537-K548 PolarHBondContact O-NZ 3.22Å
538	G	78.1	Confident	88.1	Confident	75 Å²	75	76.5 Å²	76.5	77%	0.773	43%	0.431	S	S	*	.			trans	-72.3	131.2	171.7	0	0	0	0	0	110.5	T536	T536-G538 PolarHBondContact O-N 2.8Å
539	V	81.2	Confident	87.9	Confident	60 Å²	60	81.4 Å²	81.4	36%	0.364	46%	0.456	S	S	.	.			trans	-122.2	128.2	-179.9	174.3	0	0	0	0	108.4	A544 K548	V539-A544 HydrophobicContact CG1-CB 3.09Å; V539-K548 HydrophobicContact CG2-CD 4.24Å
540	T	79.7	Confident	87.8	Confident	138 Å²	138	80.1 Å²	80.1	85%	0.847	45%	0.449	S	S	*	.			trans	-97.6	131.7	177.4	49.6	0	0	0	0	110.2
541	G	85.2	Confident	87.8	Confident	50 Å²	50	79.7 Å²	79.7	52%	0.515	45%	0.446	S	S	.	.	S	Bend	trans	107.1	139	177.6	0	0	0	0	0	114.9	I543 A544 T545	G541-I543 PolarHBondContact O-N 3.15Å; G541-A544 PolarHBondContact O-N 3.01Å; G541-T545 PolarHBondContact O-N 2.97Å; G541-T545 PolarHBondContact O-OG1 3.4Å
542	R	86.3	Confident	87.8	Confident	230 Å²	230	80.3 Å²	80.3	87%	0.868	45%	0.449	S	S	*	.	H	α-helix	trans	-58.3	-42	-173.2	-70.9	-175.6	-179.4	178.1	0.6	114.1	A544 T545 F546	R542-A544 VanDerWaalsContact C-N 3.34Å; R542-T545 WeakPolarHBondContact CA-OG1 3.39Å; R542-T545 PolarHBondContact O-OG1 2.99Å; R542-F546 PolarHBondContact O-N 3.32Å; R542-F546 VanDerWaalsContact O-N 3.08Å
543	I	88.7	Confident	87.9	Confident	136 Å²	136	83.2 Å²	83.2	70%	0.697	47%	0.468	S	S	*	.	H	α-helix	trans	-65.5	-43.3	179.6	-68.4	156.3	0	0	0	110	G541 F546 M547	G541-I543 PolarHBondContact O-N 3.15Å; I543-F546 WeakPolarHBondContact O-CB 3.29Å; I543-F546 PolarHBondContact O-N 3.33Å; I543-M547 HydrophobicContact CG2-CG 4.44Å; I543-M547 WeakPolarHBondContact O-CG 3.45Å; I543-M547 PolarHBondContact O-N 3.47Å
544	A	87.7	Confident	88.2	Confident	39 Å²	39	86.9 Å²	86.9	32%	0.322	48%	0.481	S	S	.	.	H	α-helix	trans	-72.3	-33.7	-176.6	0	0	0	0	0	111.4	V539 G541 R542 F546 K548	V539-A544 HydrophobicContact CG1-CB 3.09Å; G541-A544 PolarHBondContact O-N 3.01Å; R542-A544 VanDerWaalsContact C-N 3.34Å; A544-F546 VanDerWaalsContact C-N 3.35Å; A544-K548 VanDerWaalsContact O-CB 3.3Å; A544-K548 WeakPolarHBondContact O-CB 3.44Å; A544-K548 PolarHBondContact O-N 3.47Å
545	T	88.2	Confident	88.5	Confident	62 Å²	62	86 Å²	86	38%	0.38	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-36.8	169	54.3	0	0	0	0	112.8	G541 R542 K548 I549	G541-T545 PolarHBondContact O-N 2.97Å; G541-T545 PolarHBondContact O-OG1 3.4Å; R542-T545 WeakPolarHBondContact CA-OG1 3.39Å; R542-T545 PolarHBondContact O-OG1 2.99Å; T545-K548 WeakPolarHBondContact O-CB 2.98Å; T545-K548 PolarHBondContact O-N 3.35Å; T545-I549 WeakPolarHBondContact O-CG1 3.26Å; T545-I549 PolarHBondContact O-N 3.14Å
546	F	90.5	Very high	88.9	Confident	133 Å²	133	85.4 Å²	85.4	58%	0.583	47%	0.471	S	S	*	.	H	α-helix	trans	-68.5	-45.7	176.6	-174.9	-104.7	0	0	0	111.7	R542 I543 A544 K548 I549 I550	R542-F546 PolarHBondContact O-N 3.32Å; R542-F546 VanDerWaalsContact O-N 3.08Å; I543-F546 WeakPolarHBondContact O-CB 3.29Å; I543-F546 PolarHBondContact O-N 3.33Å; A544-F546 VanDerWaalsContact C-N 3.35Å; F546-K548 VanDerWaalsContact C-N 3.27Å; F546-K548 PolarHBondContact O-N 3.06Å; F546-I549 PolarHBondContact O-N 2.92Å; F546-I549 VanDerWaalsContact O-N 3.15Å; F546-I550 HydrophobicContact CD1-CD1 3.74Å; F546-I550 HydrophobicContact CE1-CD1 3.35Å; F546-I550 HydrophobicContact CE1-CG1 4.34Å; F546-I550 HydrophobicContact CZ-CD1 3.92Å; F546-I550 PolarHBondContact O-N 3.38Å; F546-I550 VanDerWaalsContact O-N 3.11Å
547	M	90.5	Very high	89.5	Confident	115 Å²	115	87.2 Å²	87.2	57%	0.567	48%	0.477	S	S	*	.	H	α-helix	trans	-60	-37.6	174.4	-68.9	-60.3	-171.9	0	0	112.1	I543 I550 A551	I543-M547 HydrophobicContact CG2-CG 4.44Å; I543-M547 WeakPolarHBondContact O-CG 3.45Å; I543-M547 PolarHBondContact O-N 3.47Å; M547-I550 PolarHBondContact O-N 2.87Å; M547-A551 WeakPolarHBondContact O-CB 3.14Å; M547-A551 PolarHBondContact O-N 3.33Å
548	K	90.4	Very high	90.1	Very high	52 Å²	52	83.9 Å²	83.9	23%	0.226	47%	0.466	C	S	.	.	H	α-helix	trans	-59	-45.7	174.1	-176.8	-174.5	-176.2	172	0	111.9	C534 L535 F537 V539 A544 T545 F546 A551 I552	C534-K548 WeakPolarHBondContact O-CE 3.23Å; C534-K548 PolarHBondContact O-NZ 3.18Å; L535-K548 PolarHBondContact O-NZ 3.21Å; F537-K548 PolarHBondContact O-NZ 3.22Å; V539-K548 HydrophobicContact CG2-CD 4.24Å; A544-K548 VanDerWaalsContact O-CB 3.3Å; A544-K548 WeakPolarHBondContact O-CB 3.44Å; A544-K548 PolarHBondContact O-N 3.47Å; T545-K548 WeakPolarHBondContact O-CB 2.98Å; T545-K548 PolarHBondContact O-N 3.35Å; F546-K548 VanDerWaalsContact C-N 3.27Å; F546-K548 PolarHBondContact O-N 3.06Å; K548-A551 PolarHBondContact O-N 2.93Å; K548-I552 HydrophobicContact CG-CD1 3.98Å; K548-I552 VanDerWaalsContact O-CG1 3.27Å; K548-I552 WeakPolarHBondContact O-CG1 3.39Å; K548-I552 PolarHBondContact O-N 2.65Å
549	I	91.4	Very high	91	Very high	104 Å²	104	80.9 Å²	80.9	53%	0.533	43%	0.432	S	S	.	.	H	α-helix	trans	-62.8	-46	178.5	-66.5	165	0	0	0	110.4	T545 F546 A551 I552 V553	T545-I549 WeakPolarHBondContact O-CG1 3.26Å; T545-I549 PolarHBondContact O-N 3.14Å; F546-I549 PolarHBondContact O-N 2.92Å; F546-I549 VanDerWaalsContact O-N 3.15Å; I549-A551 VanDerWaalsContact C-N 3.35Å; I549-A551 PolarHBondContact O-N 3.35Å; I549-I552 PolarHBondContact O-N 3.46Å; I549-V553 HydrophobicContact CG2-CG2 4.49Å; I549-V553 WeakPolarHBondContact O-CG2 3.29Å; I549-V553 PolarHBondContact O-N 2.71Å
550	I	93.2	Very high	91.6	Very high	69 Å²	69	82.3 Å²	82.3	35%	0.354	44%	0.436	S	S	.	.	H	α-helix	trans	-59	-47.2	176.7	-67.2	169.9	0	0	0	110.7	F546 M547 I552 V553 L554	F546-I550 HydrophobicContact CD1-CD1 3.74Å; F546-I550 HydrophobicContact CE1-CD1 3.35Å; F546-I550 HydrophobicContact CE1-CG1 4.34Å; F546-I550 HydrophobicContact CZ-CD1 3.92Å; F546-I550 PolarHBondContact O-N 3.38Å; F546-I550 VanDerWaalsContact O-N 3.11Å; M547-I550 PolarHBondContact O-N 2.87Å; I550-I552 PolarHBondContact O-N 2.62Å; I550-V553 PolarHBondContact O-N 2.87Å; I550-L554 HydrophobicContact CG2-CD1 3.81Å; I550-L554 HydrophobicContact CG2-CG 4.25Å; I550-L554 WeakPolarHBondContact O-CB 3.3Å; I550-L554 WeakPolarHBondContact O-CG 3.26Å; I550-L554 PolarHBondContact O-N 2.9Å
551	A	93.3	Very high	92.4	Very high	34 Å²	34	79.9 Å²	79.9	28%	0.281	42%	0.418	S	S	.	.	H	α-helix	trans	-59.7	-44.7	179.1	0	0	0	0	0	111.9	M547 K548 I549 V553 L554 I555	M547-A551 WeakPolarHBondContact O-CB 3.14Å; M547-A551 PolarHBondContact O-N 3.33Å; K548-A551 PolarHBondContact O-N 2.93Å; I549-A551 VanDerWaalsContact C-N 3.35Å; I549-A551 PolarHBondContact O-N 3.35Å; A551-V553 PolarHBondContact O-N 3.35Å; A551-L554 PolarHBondContact O-N 3.41Å; A551-I555 WeakPolarHBondContact O-CB 3.41Å; A551-I555 WeakPolarHBondContact O-CD1 3.45Å; A551-I555 WeakPolarHBondContact O-CG1 3.45Å; A551-I555 PolarHBondContact O-N 2.68Å
552	I	93.6	Very high	92.9	Very high	29 Å²	29	77.8 Å²	77.8	15%	0.149	40%	0.395	C	S	.	.	H	α-helix	trans	-59.4	-47.9	176.4	-71	164.5	0	0	0	110.8	L531 C534 L535 K548 I549 I550 L554 I555 I556	L531-I552 HydrophobicContact CD1-CG2 4.02Å; C534-I552 HydrophobicContact CB-CG1 3.9Å; L535-I552 HydrophobicContact CD2-CD1 3.91Å; L535-I552 HydrophobicContact CD2-CG1 4.47Å; K548-I552 HydrophobicContact CG-CD1 3.98Å; K548-I552 VanDerWaalsContact O-CG1 3.27Å; K548-I552 WeakPolarHBondContact O-CG1 3.39Å; K548-I552 PolarHBondContact O-N 2.65Å; I549-I552 PolarHBondContact O-N 3.46Å; I550-I552 PolarHBondContact O-N 2.62Å; I552-L554 PolarHBondContact O-N 3.26Å; I552-I555 PolarHBondContact O-N 3.24Å; I552-I556 HydrophobicContact CG2-CD1 3.78Å; I552-I556 HydrophobicContact CG2-CG1 4.5Å; I552-I556 VanDerWaalsContact O-CG1 3.29Å; I552-I556 WeakPolarHBondContact O-CG1 3.44Å; I552-I556 PolarHBondContact O-N 2.94Å
553	V	95	Very high	93.3	Very high	74 Å²	74	67.7 Å²	67.7	45%	0.448	36%	0.358	S	S	.	.	H	α-helix	trans	-62	-44.9	179.6	172.6	0	0	0	0	110.9	I549 I550 A551 I555 I556 I557	I549-V553 HydrophobicContact CG2-CG2 4.49Å; I549-V553 WeakPolarHBondContact O-CG2 3.29Å; I549-V553 PolarHBondContact O-N 2.71Å; I550-V553 PolarHBondContact O-N 2.87Å; A551-V553 PolarHBondContact O-N 3.35Å; V553-I555 PolarHBondContact O-N 3.4Å; V553-I556 PolarHBondContact O-N 3.09Å; V553-I557 HydrophobicContact CG1-CD1 3.91Å; V553-I557 VanDerWaalsContact O-CG1 3.3Å; V553-I557 WeakPolarHBondContact O-CG1 3.39Å; V553-I557 PolarHBondContact O-N 2.92Å
554	L	95.8	Very high	93.6	Very high	97 Å²	97	65.1 Å²	65.1	51%	0.508	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-43.5	176.9	-71.8	173.9	0	0	0	112.2	I550 A551 I552 I556 I557 L558	I550-L554 HydrophobicContact CG2-CD1 3.81Å; I550-L554 HydrophobicContact CG2-CG 4.25Å; I550-L554 WeakPolarHBondContact O-CB 3.3Å; I550-L554 WeakPolarHBondContact O-CG 3.26Å; I550-L554 PolarHBondContact O-N 2.9Å; A551-L554 PolarHBondContact O-N 3.41Å; I552-L554 PolarHBondContact O-N 3.26Å; L554-I556 PolarHBondContact O-N 3.32Å; L554-I557 PolarHBondContact O-N 3.14Å; L554-L558 WeakPolarHBondContact O-CG 3.4Å; L554-L558 PolarHBondContact O-N 3.48Å
555	I	95.9	Very high	93.8	Very high	20 Å²	20	66.5 Å²	66.5	10%	0.103	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-40.6	177.7	-65.9	164.6	0	0	0	110.9	L527 A530 L531 A551 I552 V553 I557 L558 L559	L527-I555 HydrophobicContact CB-CG2 4.48Å; L527-I555 WeakPolarHBondContact O-CG2 3.29Å; A530-I555 HydrophobicContact CB-CD1 4.25Å; L531-I555 HydrophobicContact CB-CG2 3.67Å; L531-I555 HydrophobicContact CD1-CB 4.35Å; L531-I555 HydrophobicContact CD1-CG2 4.13Å; L531-I555 HydrophobicContact CG-CG2 4.43Å; A551-I555 WeakPolarHBondContact O-CB 3.41Å; A551-I555 WeakPolarHBondContact O-CD1 3.45Å; A551-I555 WeakPolarHBondContact O-CG1 3.45Å; A551-I555 PolarHBondContact O-N 2.68Å; I552-I555 PolarHBondContact O-N 3.24Å; V553-I555 PolarHBondContact O-N 3.4Å; I555-I557 VanDerWaalsContact C-N 3.35Å; I555-I557 PolarHBondContact O-N 3.4Å; I555-L558 PolarHBondContact O-N 3.32Å; I555-L559 HydrophobicContact CG2-CD1 4.12Å; I555-L559 HydrophobicContact CG2-CG 4.42Å; I555-L559 WeakPolarHBondContact O-CG 3.16Å; I555-L559 PolarHBondContact O-N 2.89Å
556	I	95.1	Very high	94.1	Very high	72 Å²	72	63.5 Å²	63.5	37%	0.369	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-43.4	175.2	-69.6	168.4	0	0	0	110.8	L531 I552 V553 L554 L558 L559 I560	L531-I556 HydrophobicContact CD1-CD1 4.39Å; L531-I556 HydrophobicContact CD1-CG1 3.9Å; L531-I556 HydrophobicContact CD2-CG1 4.38Å; I552-I556 HydrophobicContact CG2-CD1 3.78Å; I552-I556 HydrophobicContact CG2-CG1 4.5Å; I552-I556 VanDerWaalsContact O-CG1 3.29Å; I552-I556 WeakPolarHBondContact O-CG1 3.44Å; I552-I556 PolarHBondContact O-N 2.94Å; V553-I556 PolarHBondContact O-N 3.09Å; L554-I556 PolarHBondContact O-N 3.32Å; I556-L558 VanDerWaalsContact C-N 3.34Å; I556-L558 PolarHBondContact O-N 3.33Å; I556-L559 PolarHBondContact O-N 2.91Å; I556-I560 HydrophobicContact CG2-CD1 3.88Å; I556-I560 VanDerWaalsContact O-CG1 3.31Å; I556-I560 WeakPolarHBondContact O-CG1 3.31Å; I556-I560 PolarHBondContact O-N 3.37Å
557	I	96.1	Very high	94.2	Very high	93 Å²	93	59 Å²	59	48%	0.477	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-44.2	175.7	-68.2	165.8	0	0	0	110.7	V553 L554 I555 I560 L561	V553-I557 HydrophobicContact CG1-CD1 3.91Å; V553-I557 VanDerWaalsContact O-CG1 3.3Å; V553-I557 WeakPolarHBondContact O-CG1 3.39Å; V553-I557 PolarHBondContact O-N 2.92Å; L554-I557 PolarHBondContact O-N 3.14Å; I555-I557 VanDerWaalsContact C-N 3.35Å; I555-I557 PolarHBondContact O-N 3.4Å; I557-I560 PolarHBondContact O-N 3.44Å; I557-L561 WeakPolarHBondContact O-CB 3.34Å; I557-L561 PolarHBondContact O-N 2.88Å
558	L	96.5	Very high	94.2	Very high	80 Å²	80	57.1 Å²	57.1	42%	0.419	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-40.4	177.2	-71	171.4	0	0	0	112.2	L527 L554 I555 I556 L561 T562	L527-L558 HydrophobicContact CD1-CB 3.82Å; L527-L558 HydrophobicContact CD2-CB 4.18Å; L527-L558 HydrophobicContact CD2-CD1 4.05Å; L554-L558 WeakPolarHBondContact O-CG 3.4Å; L554-L558 PolarHBondContact O-N 3.48Å; I555-L558 PolarHBondContact O-N 3.32Å; I556-L558 VanDerWaalsContact C-N 3.34Å; I556-L558 PolarHBondContact O-N 3.33Å; L558-L561 PolarHBondContact O-N 3.04Å; L558-T562 WeakPolarHBondContact O-CG2 3.38Å; L558-T562 PolarHBondContact O-N 2.87Å; L558-T562 PolarHBondContact O-OG1 3.1Å
559	L	96.1	Very high	94.2	Very high	11 Å²	11	55 Å²	55	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-48.2	173.9	-76.1	168.1	0	0	0	111.1	Y524 L527 L531 I555 I556 L561 T562 I563	Y524-L559 HydrophobicContact CD2-CD2 3.63Å; Y524-L559 HydrophobicContact CE1-CD2 4.44Å; Y524-L559 HydrophobicContact CE2-CB 4.29Å; Y524-L559 HydrophobicContact CE2-CD2 3.54Å; Y524-L559 HydrophobicContact CG-CD2 4.1Å; L527-L559 HydrophobicContact CB-CD2 3.54Å; L527-L559 HydrophobicContact CB-CG 3.95Å; L527-L559 HydrophobicContact CD1-CD2 4.44Å; L531-L559 HydrophobicContact CB-CD1 4.35Å; L531-L559 HydrophobicContact CD2-CD1 3.73Å; I555-L559 HydrophobicContact CG2-CD1 4.12Å; I555-L559 HydrophobicContact CG2-CG 4.42Å; I555-L559 WeakPolarHBondContact O-CG 3.16Å; I555-L559 PolarHBondContact O-N 2.89Å; I556-L559 PolarHBondContact O-N 2.91Å; L559-L561 VanDerWaalsContact C-N 3.29Å; L559-L561 PolarHBondContact O-N 2.87Å; L559-T562 WeakPolarHBondContact CA-OG1 3.28Å; L559-T562 PolarHBondContact O-N 3Å; L559-T562 PolarHBondContact O-OG1 3.39Å; L559-I563 WeakPolarHBondContact O-CG1 3.25Å; L559-I563 PolarHBondContact O-N 2.72Å
560	I	95.6	Very high	94.1	Very high	90 Å²	90	53 Å²	53	46%	0.462	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-43.3	176.1	-67.2	166.4	0	0	0	110.4	I556 I557 T562 I563 I564	I556-I560 HydrophobicContact CG2-CD1 3.88Å; I556-I560 VanDerWaalsContact O-CG1 3.31Å; I556-I560 WeakPolarHBondContact O-CG1 3.31Å; I556-I560 PolarHBondContact O-N 3.37Å; I557-I560 PolarHBondContact O-N 3.44Å; I560-T562 PolarHBondContact O-N 2.88Å; I560-I563 PolarHBondContact O-N 3.27Å; I560-I564 HydrophobicContact CG2-CD1 3.84Å; I560-I564 HydrophobicContact CG2-CG1 4.43Å; I560-I564 VanDerWaalsContact O-CG1 3.31Å; I560-I564 WeakPolarHBondContact O-CG1 3.25Å; I560-I564 PolarHBondContact O-N 3.22Å
561	L	95.5	Very high	93.9	Very high	87 Å²	87	52 Å²	52	46%	0.455	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-43.6	177.5	-175.3	137.2	0	0	0	111.8	I557 L558 L559 I563 I564 L565	I557-L561 WeakPolarHBondContact O-CB 3.34Å; I557-L561 PolarHBondContact O-N 2.88Å; L558-L561 PolarHBondContact O-N 3.04Å; L559-L561 VanDerWaalsContact C-N 3.29Å; L559-L561 PolarHBondContact O-N 2.87Å; L561-I563 VanDerWaalsContact C-N 3.35Å; L561-I563 PolarHBondContact O-N 3.32Å; L561-I564 WeakPolarHBondContact O-CB 3.44Å; L561-I564 PolarHBondContact O-N 3.11Å; L561-L565 HydrophobicContact CD2-CD1 3.66Å; L561-L565 HydrophobicContact CD2-CG 4.25Å; L561-L565 WeakPolarHBondContact O-CG 3.34Å; L561-L565 PolarHBondContact O-N 3.09Å
562	T	95.4	Very high	93.4	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-37.2	175.1	53.9	0	0	0	0	112.9	I523 Y524 L527 L558 L559 I560 L565 I566	I523-T562 HydrophobicContact CG2-CG2 3.97Å; Y524-T562 WeakPolarHBondContact CD2-OG1 3.25Å; L527-T562 HydrophobicContact CD1-CG2 3.98Å; L558-T562 WeakPolarHBondContact O-CG2 3.38Å; L558-T562 PolarHBondContact O-N 2.87Å; L558-T562 PolarHBondContact O-OG1 3.1Å; L559-T562 WeakPolarHBondContact CA-OG1 3.28Å; L559-T562 PolarHBondContact O-N 3Å; L559-T562 PolarHBondContact O-OG1 3.39Å; I560-T562 PolarHBondContact O-N 2.88Å; T562-L565 PolarHBondContact O-N 2.71Å; T562-I566 VanDerWaalsContact O-CG1 3.29Å; T562-I566 WeakPolarHBondContact O-CG1 3.45Å; T562-I566 PolarHBondContact O-N 3.28Å
563	I	94.9	Very high	92.5	Very high	19 Å²	19	59.6 Å²	59.6	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-42.5	173.4	-65.3	171.3	0	0	0	110.8	Y524 L559 I560 L561 L565 I566 S567 P586 W587 C590	Y524-I563 HydrophobicContact CD2-CG1 4.21Å; Y524-I563 HydrophobicContact CE2-CD1 3.83Å; Y524-I563 HydrophobicContact CE2-CG1 3.66Å; L559-I563 WeakPolarHBondContact O-CG1 3.25Å; L559-I563 PolarHBondContact O-N 2.72Å; I560-I563 PolarHBondContact O-N 3.27Å; L561-I563 VanDerWaalsContact C-N 3.35Å; L561-I563 PolarHBondContact O-N 3.32Å; I563-L565 VanDerWaalsContact C-N 3.35Å; I563-I566 PolarHBondContact O-N 3.39Å; I563-S567 WeakPolarHBondContact O-CB 3.41Å; I563-S567 PolarHBondContact O-N 3.38Å; I563-S567 PolarHBondContact O-OG 2.81Å; I563-P586 HydrophobicContact CG2-CG 4.15Å; I563-W587 HydrophobicContact CG2-CB 4.35Å; I563-C590 HydrophobicContact CD1-CB 3.95Å; I563-C590 HydrophobicContact CG1-CB 3.96Å
564	I	94.3	Very high	91.2	Very high	81 Å²	81	58.1 Å²	58.1	42%	0.415	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-44.7	176.3	-68.2	166.7	0	0	0	110.2	I560 L561 I566 S567 F568	I560-I564 HydrophobicContact CG2-CD1 3.84Å; I560-I564 HydrophobicContact CG2-CG1 4.43Å; I560-I564 VanDerWaalsContact O-CG1 3.31Å; I560-I564 WeakPolarHBondContact O-CG1 3.25Å; I560-I564 PolarHBondContact O-N 3.22Å; L561-I564 WeakPolarHBondContact O-CB 3.44Å; L561-I564 PolarHBondContact O-N 3.11Å; I564-I566 PolarHBondContact O-N 2.89Å; I564-S567 WeakPolarHBondContact O-CA 3.39Å; I564-S567 WeakPolarHBondContact O-CB 3.39Å; I564-S567 PolarHBondContact O-N 3.37Å; I564-S567 VanDerWaalsContact O-N 3.09Å; I564-F568 HydrophobicContact CG2-CE1 3.9Å; I564-F568 HydrophobicContact CG2-CE2 3.82Å; I564-F568 HydrophobicContact CG2-CZ 3.44Å; I564-F568 VanDerWaalsContact CG2-CZ 3.44Å; I564-F568 WeakPolarHBondContact O-CG 3.13Å; I564-F568 PolarHBondContact O-N 3.16Å; I564-F568 VanDerWaalsContact O-N 3.14Å
565	L	93.5	Very high	89.6	Confident	68 Å²	68	61.4 Å²	61.4	36%	0.356	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-42.8	177	-69.6	175.3	0	0	0	112.4	L520 L561 T562 I563 S567 F568	L520-L565 HydrophobicContact CD1-CB 3.94Å; L520-L565 HydrophobicContact CD2-CB 4.08Å; L520-L565 HydrophobicContact CD2-CD1 3.93Å; L561-L565 HydrophobicContact CD2-CD1 3.66Å; L561-L565 HydrophobicContact CD2-CG 4.25Å; L561-L565 WeakPolarHBondContact O-CG 3.34Å; L561-L565 PolarHBondContact O-N 3.09Å; T562-L565 PolarHBondContact O-N 2.71Å; I563-L565 VanDerWaalsContact C-N 3.35Å; L565-S567 VanDerWaalsContact C-N 3.27Å; L565-S567 PolarHBondContact O-N 3.15Å; L565-F568 HydrophobicContact CD2-CD2 4.24Å; L565-F568 HydrophobicContact CD2-CE2 4.43Å; L565-F568 WeakPolarHBondContact O-CB 3.22Å; L565-F568 PolarHBondContact O-N 2.95Å
566	I	93.4	Very high	88.1	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-38.5	174.1	-63.3	164.2	0	0	0	110.2	Y453 V517 L520 I521 T562 I563 I564 F568 I569 P586	Y453-I566 HydrophobicContact CD2-CG2 4.19Å; Y453-I566 HydrophobicContact CE1-CG2 4.42Å; Y453-I566 HydrophobicContact CE2-CG2 3.68Å; V517-I566 HydrophobicContact CG1-CG2 4.35Å; L520-I566 HydrophobicContact CB-CD1 4.12Å; L520-I566 HydrophobicContact CB-CG1 3.68Å; L520-I566 HydrophobicContact CD1-CG1 3.83Å; L520-I566 HydrophobicContact CG-CG1 4.38Å; I521-I566 HydrophobicContact CG1-CD1 4.47Å; T562-I566 VanDerWaalsContact O-CG1 3.29Å; T562-I566 WeakPolarHBondContact O-CG1 3.45Å; T562-I566 PolarHBondContact O-N 3.28Å; I563-I566 PolarHBondContact O-N 3.39Å; I564-I566 PolarHBondContact O-N 2.89Å; I566-F568 PolarHBondContact O-N 3.43Å; I566-I569 WeakPolarHBondContact O-CB 3.45Å; I566-I569 PolarHBondContact O-N 3.47Å; I566-I569 VanDerWaalsContact O-N 3.07Å; I566-P586 HydrophobicContact CB-CB 4.24Å; I566-P586 HydrophobicContact CB-CG 3.94Å; I566-P586 HydrophobicContact CG2-CB 3.58Å; I566-P586 HydrophobicContact CG2-CG 3.67Å
567	S	92.4	Very high	86.6	Confident	38 Å²	38	66.6 Å²	66.6	27%	0.266	35%	0.351	S	S	.	.	H	α-helix	trans	-66.5	-19.8	179.6	-55.8	0	0	0	0	113.7	K493 I563 I564 L565 I569 P586	K493-S567 PolarHBondContact NZ-O 3.19Å; I563-S567 WeakPolarHBondContact O-CB 3.41Å; I563-S567 PolarHBondContact O-N 3.38Å; I563-S567 PolarHBondContact O-OG 2.81Å; I564-S567 WeakPolarHBondContact O-CA 3.39Å; I564-S567 WeakPolarHBondContact O-CB 3.39Å; I564-S567 PolarHBondContact O-N 3.37Å; I564-S567 VanDerWaalsContact O-N 3.09Å; L565-S567 VanDerWaalsContact C-N 3.27Å; L565-S567 PolarHBondContact O-N 3.15Å; S567-I569 VanDerWaalsContact C-N 3.29Å; S567-P586 WeakPolarHBondContact OG-CD 3.48Å; S567-P586 VanDerWaalsContact OG-CG 3.25Å; S567-P586 WeakPolarHBondContact OG-CG 3.37Å
568	F	91.2	Very high	85.4	Confident	76 Å²	76	68.9 Å²	68.9	33%	0.333	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-13.4	173.4	-65.3	-23.8	0	0	0	113.8	K493 I496 I564 L565 I566	K493-F568 VanDerWaalsContact CB-O 3.3Å; K493-F568 WeakPolarHBondContact CB-O 3.39Å; K493-F568 WeakPolarHBondContact CG-O 3.29Å; K493-F568 PolarHBondContact N-O 3.41Å; I496-F568 HydrophobicContact CD1-CB 4.44Å; I496-F568 HydrophobicContact CD1-CD1 3.87Å; I496-F568 HydrophobicContact CD1-CE1 4.46Å; I496-F568 HydrophobicContact CD1-CG 4.32Å; I496-F568 HydrophobicContact CG1-CD1 4.16Å; I496-F568 HydrophobicContact CG1-CE1 4.46Å; I496-F568 HydrophobicContact CG1-CG 4.42Å; I564-F568 HydrophobicContact CG2-CE1 3.9Å; I564-F568 HydrophobicContact CG2-CE2 3.82Å; I564-F568 HydrophobicContact CG2-CZ 3.44Å; I564-F568 VanDerWaalsContact CG2-CZ 3.44Å; I564-F568 WeakPolarHBondContact O-CG 3.13Å; I564-F568 PolarHBondContact O-N 3.16Å; I564-F568 VanDerWaalsContact O-N 3.14Å; L565-F568 HydrophobicContact CD2-CD2 4.24Å; L565-F568 HydrophobicContact CD2-CE2 4.43Å; L565-F568 WeakPolarHBondContact O-CB 3.22Å; L565-F568 PolarHBondContact O-N 2.95Å; I566-F568 PolarHBondContact O-N 3.43Å
569	I	90.6	Very high	84.7	Confident	6 Å²	6	67 Å²	67	3%	0.031	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-85.6	141.4	177	-62.8	169.8	0	0	0	108.8	Y453 Y491 K493 M516 V517 L520 I566 S567	Y453-I569 HydrophobicContact CD1-CB 4.17Å; Y453-I569 HydrophobicContact CD1-CG2 3.86Å; Y453-I569 HydrophobicContact CE1-CB 4.31Å; Y453-I569 HydrophobicContact CE1-CG2 4.46Å; Y453-I569 WeakPolarHBondContact CE1-O 3.29Å; Y491-I569 WeakPolarHBondContact O-CG2 3.41Å; K493-I569 WeakPolarHBondContact CE-O 3.39Å; M516-I569 HydrophobicContact CB-CD1 4.07Å; V517-I569 HydrophobicContact CG2-CB 4.16Å; V517-I569 HydrophobicContact CG2-CD1 3.35Å; V517-I569 HydrophobicContact CG2-CG1 4.31Å; V517-I569 HydrophobicContact CG2-CG2 3.91Å; L520-I569 HydrophobicContact CD1-CD1 4.1Å; I566-I569 WeakPolarHBondContact O-CB 3.45Å; I566-I569 PolarHBondContact O-N 3.47Å; I566-I569 VanDerWaalsContact O-N 3.07Å; S567-I569 VanDerWaalsContact C-N 3.29Å
570	E	88.2	Confident	84.3	Confident	62 Å²	62	68.6 Å²	68.6	29%	0.29	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-76.8	133.4	179.8	-167.6	66.5	-174.4	0	0	110.2	G490 Y491 K493	G490-E570 PolarHBondContact N-O 2.96Å; Y491-E570 PolarHBondContact O-N 3.2Å; K493-E570 WeakPolarHBondContact CE-OE2 3.47Å; K493-E570 HydrophobicContact CG-CB 4.29Å; K493-E570 WeakPolarHBondContact CG-OE2 3.2Å
571	Q	89.1	Confident	83.9	Confident	49 Å²	49	69 Å²	69	23%	0.229	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-80.6	149.5	179.4	-68.9	177.8	19.2	0	0	111	R452 Y453 K573 V585	R452-Q571 CarbonylContact O-C 3.43Å; R452-Q571 VanDerWaalsContact O-CA 3.31Å; R452-Q571 WeakPolarHBondContact O-CA 3.22Å; Y453-Q571 HydrophobicContact CD1-CG 3.96Å; Y453-Q571 HydrophobicContact CE1-CB 4.44Å; Y453-Q571 HydrophobicContact CE1-CG 3.36Å; Y453-Q571 HydrophobicContact CE2-CG 4.42Å; Y453-Q571 PolarHBondContact OH-NE2 3.21Å; Q571-K573 PolarHBondContact O-N 2.97Å; Q571-V585 PolarHBondContact NE2-O 3.47Å
572	F	83.7	Confident	83.7	Confident	43 Å²	43	65.2 Å²	65.2	19%	0.189	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-64.9	127.2	169.6	-79.2	-92.9	0	0	0	110.8	R452 Y453 R454 P489 P513 R581	R452-F572 PolarHBondContact O-N 2.91Å; Y453-F572 VanDerWaalsContact C-CD2 3.48Å; Y453-F572 VanDerWaalsContact C-CE2 3.41Å; Y453-F572 VanDerWaalsContact O-CE2 3.3Å; Y453-F572 WeakPolarHBondContact O-CE2 3.26Å; R454-F572 VanDerWaalsContact C-CE2 3.45Å; P489-F572 HydrophobicContact CB-CB 4.49Å; P489-F572 HydrophobicContact CB-CD1 3.68Å; P489-F572 HydrophobicContact CB-CD2 4.13Å; P489-F572 HydrophobicContact CB-CE1 3.74Å; P489-F572 HydrophobicContact CB-CE2 4.17Å; P489-F572 HydrophobicContact CB-CG 3.87Å; P489-F572 HydrophobicContact CB-CZ 3.98Å; P489-F572 HydrophobicContact CG-CD1 4.02Å; P489-F572 HydrophobicContact CG-CE1 3.8Å; P489-F572 HydrophobicContact CG-CZ 4.29Å; P489-F572 VanDerWaalsContact O-CZ 3.3Å; P489-F572 WeakPolarHBondContact O-CZ 3.5Å; P513-F572 HydrophobicContact CB-CE2 4.49Å; P513-F572 HydrophobicContact CB-CZ 3.93Å; P513-F572 HydrophobicContact CG-CZ 4.49Å; F572-R581 PolarHBondContact O-NH2 3.31Å; F572-R581 VanDerWaalsContact O-NH2 3.15Å
573	K	74.2	Confident	83.4	Confident	180 Å²	180	68.5 Å²	68.5	78%	0.783	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-67.3	139.3	163.9	-66.8	-178.4	-177.2	175.6	0	107.7	Q571	Q571-K573 PolarHBondContact O-N 2.97Å
574	L	67.8	Low	83.3	Confident	42 Å²	42	73.1 Å²	73.1	22%	0.22	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-90.4	137.2	-179.8	-174.6	62.8	0	0	0	107.4	H117 D576 L579	H117-L574 VanDerWaalsContact CD2-CD1 3.47Å; H117-L574 WeakPolarHBondContact CD2-CD1 3.39Å; H117-L574 WeakPolarHBondContact NE2-CD1 3.41Å; L574-D576 WeakPolarHBondContact CD2-O 3.32Å; L574-D576 WeakPolarHBondContact CG-O 3.26Å; L574-D576 PolarHBondContact O-N 2.72Å; L574-L579 HydrophobicContact CD1-CD1 4.28Å; L574-L579 HydrophobicContact CD2-CB 3.53Å; L574-L579 HydrophobicContact CD2-CD1 3.74Å; L574-L579 HydrophobicContact CD2-CG 4.18Å; L574-L579 HydrophobicContact CG-CD1 4.15Å
575	N	63.1	Low	83.1	Confident	166 Å²	166	70.2 Å²	70.2	89%	0.888	37%	0.367	S	S	*	.	S	Bend	trans	-61.3	-38.2	179.5	-68.7	4.8	0	0	0	110.9
576	D	64.4	Low	83.1	Confident	101 Å²	101	67.1 Å²	67.1	54%	0.54	35%	0.352	S	S	.	.			trans	-95.5	107.8	175.2	-72.7	-32.3	0	0	0	111.9	L574 N578 L579	L574-D576 WeakPolarHBondContact CD2-O 3.32Å; L574-D576 WeakPolarHBondContact CG-O 3.26Å; L574-D576 PolarHBondContact O-N 2.72Å; D576-N578 PolarHBondContact O-N 3.28Å; D576-N578 VanDerWaalsContact O-N 3.15Å; D576-L579 HydrophobicContact CB-CD1 3.76Å; D576-L579 HydrophobicContact CB-CG 3.79Å; D576-L579 PolarHBondContact O-N 3.31Å
577	A	62.2	Low	83.2	Confident	101 Å²	101	73.4 Å²	73.4	84%	0.835	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-17	174.9	0	0	0	0	0	113.7
578	N	72.5	Confident	83.3	Confident	141 Å²	141	72.2 Å²	72.2	75%	0.754	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-10.4	-174	-71.4	-21.8	0	0	0	114.4	T296 D576	T296-N578 WeakPolarHBondContact CB-O 3.34Å; T296-N578 WeakPolarHBondContact CG2-O 3.39Å; D576-N578 PolarHBondContact O-N 3.28Å; D576-N578 VanDerWaalsContact O-N 3.15Å
579	L	81.5	Confident	83.5	Confident	39 Å²	39	68.6 Å²	68.6	20%	0.204	35%	0.35	C	S	.	.	S	Bend	trans	-77.1	143.7	-176.5	-68.4	176	0	0	0	112.1	C116 T296 L574 D576	C116-L579 HydrophobicContact CB-CD2 4.18Å; C116-L579 VanDerWaalsContact O-CD2 3.23Å; C116-L579 WeakPolarHBondContact O-CD2 3.19Å; T296-L579 HydrophobicContact CG2-CD2 4.1Å; L574-L579 HydrophobicContact CD1-CD1 4.28Å; L574-L579 HydrophobicContact CD2-CB 3.53Å; L574-L579 HydrophobicContact CD2-CD1 3.74Å; L574-L579 HydrophobicContact CD2-CG 4.18Å; L574-L579 HydrophobicContact CG-CD1 4.15Å; D576-L579 HydrophobicContact CB-CD1 3.76Å; D576-L579 HydrophobicContact CB-CG 3.79Å; D576-L579 PolarHBondContact O-N 3.31Å
580	Y	86.5	Confident	83.8	Confident	46 Å²	46	68.4 Å²	68.4	18%	0.18	35%	0.349	C	S	.	.			trans	-62.7	138.2	178.4	175.8	-102.9	0	0	0	111.4	L109 S112 E113 P300	L109-Y580 WeakPolarHBondContact CD2-OH 3.42Å; S112-Y580 WeakPolarHBondContact OG-CE1 3.45Å; E113-Y580 HydrophobicContact CB-CD1 4.05Å; E113-Y580 HydrophobicContact CB-CE1 4.33Å; P300-Y580 HydrophobicContact CB-CD2 4.22Å; P300-Y580 HydrophobicContact CB-CE1 4.22Å; P300-Y580 HydrophobicContact CB-CE2 3.81Å; P300-Y580 HydrophobicContact CG-CD2 3.73Å; P300-Y580 HydrophobicContact CG-CE2 3.79Å; P300-Y580 HydrophobicContact CG-CG 4.12Å
581	R	87.4	Confident	84.2	Confident	99 Å²	99	67.8 Å²	67.8	37%	0.374	35%	0.348	S	S	.	.			trans	-129.3	125	179.9	-73.4	-166.2	164	-147.6	-6.7	109.9	R452 F572	R452-R581 VanDerWaalsContact NH1-CD 3.27Å; F572-R581 PolarHBondContact O-NH2 3.31Å; F572-R581 VanDerWaalsContact O-NH2 3.15Å
582	I	91.2	Very high	84.5	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.031	34%	0.337	C	S	.	.			trans	-67.6	135.6	173.4	-159.4	172.6	0	0	0	110.4	L109 I110 E113 V448 V585 L588	L109-I582 HydrophobicContact CB-CD1 3.56Å; L109-I582 HydrophobicContact CB-CG1 4.06Å; I110-I582 HydrophobicContact CB-CD1 4.45Å; I110-I582 HydrophobicContact CG1-CD1 3.62Å; E113-I582 WeakPolarHBondContact OE2-CB 3.27Å; E113-I582 WeakPolarHBondContact OE2-CG2 3.49Å; E113-I582 PolarHBondContact OE2-N 2.89Å; V448-I582 HydrophobicContact CG1-CG2 4.33Å; I582-V585 HydrophobicContact CG2-CG2 3.37Å; I582-L588 HydrophobicContact CD1-CD1 4.13Å; I582-L588 HydrophobicContact CD1-CD2 3.45Å; I582-L588 VanDerWaalsContact CD1-CD2 3.45Å; I582-L588 HydrophobicContact CD1-CG 4.35Å; I582-L588 HydrophobicContact CG1-CD1 4.15Å; I582-L588 HydrophobicContact CG1-CD2 4.33Å
583	P	90.1	Very high	85.2	Confident	76 Å²	76	63.5 Å²	63.5	49%	0.494	33%	0.328	S	S	.	.	S	Bend	trans	-73.5	167.3	176	30.6	-36.1	0	0	0	111.9	V585	P583-V585 VanDerWaalsContact C-N 3.3Å; P583-V585 PolarHBondContact O-N 3.17Å
584	L	91.6	Very high	86.2	Confident	116 Å²	116	55.9 Å²	55.9	61%	0.607	30%	0.297	S	S	*	.	S	Bend	trans	58.7	33	172.1	-58.7	169.5	0	0	0	114.6	P586 W587 L588	L584-P586 CarbonylContact O-C 3.56Å; L584-W587 HydrophobicContact CB-CE3 4.45Å; L584-W587 HydrophobicContact CD1-CE3 4.25Å; L584-W587 HydrophobicContact CD1-CZ3 4.43Å; L584-W587 CarbonylContact O-C 3.34Å; L584-W587 WeakPolarHBondContact O-CA 3.5Å; L584-W587 WeakPolarHBondContact O-CB 3.14Å; L584-W587 PolarHBondContact O-N 3.29Å; L584-L588 HydrophobicContact CB-CB 4.14Å; L584-L588 PolarHBondContact O-N 2.66Å
585	V	91.5	Very high	87.5	Confident	19 Å²	19	55.7 Å²	55.7	12%	0.115	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	128.9	168.1	179.1	0	0	0	0	108.9	R452 Y453 Q571 I582 P583 P589	R452-V585 HydrophobicContact CB-CG1 4.15Å; R452-V585 HydrophobicContact CG-CG1 3.93Å; Y453-V585 HydrophobicContact CE2-CG1 3.84Å; Q571-V585 PolarHBondContact NE2-O 3.47Å; I582-V585 HydrophobicContact CG2-CG2 3.37Å; P583-V585 VanDerWaalsContact C-N 3.3Å; P583-V585 PolarHBondContact O-N 3.17Å; V585-P589 HydrophobicContact CG2-CG 4.13Å
586	P	93.3	Very high	89.1	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.026	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.4	-5.7	13.2	36	-33	0	0	0	115.6	L449 Y453 I563 I566 S567 L584 L588 P589 C590	L449-P586 HydrophobicContact CD2-CB 3.79Å; Y453-P586 HydrophobicContact CE2-CB 4.17Å; Y453-P586 WeakPolarHBondContact OH-CD 3.46Å; I563-P586 HydrophobicContact CG2-CG 4.15Å; I566-P586 HydrophobicContact CB-CB 4.24Å; I566-P586 HydrophobicContact CB-CG 3.94Å; I566-P586 HydrophobicContact CG2-CB 3.58Å; I566-P586 HydrophobicContact CG2-CG 3.67Å; S567-P586 WeakPolarHBondContact OG-CD 3.48Å; S567-P586 VanDerWaalsContact OG-CG 3.25Å; S567-P586 WeakPolarHBondContact OG-CG 3.37Å; L584-P586 CarbonylContact O-C 3.56Å; P586-L588 PolarHBondContact O-N 2.82Å; P586-P589 WeakPolarHBondContact O-CD 3.17Å; P586-C590 VanDerWaalsContact O-CB 3.29Å; P586-C590 WeakPolarHBondContact O-CB 3.16Å; P586-C590 PolarHBondContact O-N 3.02Å; P586-C590 VanDerWaalsContact O-N 3.07Å; P586-C590 PolarHBondContact O-SG 3.48Å
587	W	94.2	Very high	90.6	Very high	132 Å²	132	44.2 Å²	44.2	50%	0.5	23%	0.234	S	C	.	.	H	α-helix	trans	-56.1	-49.5	-173.5	-172.5	83.4	0	0	0	113.7	I563 L584 C590 L591	I563-W587 HydrophobicContact CG2-CB 4.35Å; L584-W587 HydrophobicContact CB-CE3 4.45Å; L584-W587 HydrophobicContact CD1-CE3 4.25Å; L584-W587 HydrophobicContact CD1-CZ3 4.43Å; L584-W587 CarbonylContact O-C 3.34Å; L584-W587 WeakPolarHBondContact O-CA 3.5Å; L584-W587 WeakPolarHBondContact O-CB 3.14Å; L584-W587 PolarHBondContact O-N 3.29Å; W587-C590 PolarHBondContact O-N 2.95Å; W587-L591 HydrophobicContact CH2-CD2 3.7Å; W587-L591 HydrophobicContact CZ2-CD2 4.16Å; W587-L591 HydrophobicContact CZ3-CD2 3.92Å; W587-L591 WeakPolarHBondContact O-CB 3.1Å; W587-L591 PolarHBondContact O-N 3.45Å
588	L	95.1	Very high	92.1	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.068	20%	0.204	C	C	.	.	H	α-helix	trans	-67.4	-48.6	-175.9	-167.6	168.5	0	0	0	112.4	L106 I110 I582 L584 P586 C590 L591 T592	L106-L588 HydrophobicContact CD2-CD1 4.29Å; L106-L588 HydrophobicContact CD2-CD2 3.87Å; L106-L588 HydrophobicContact CD2-CG 3.93Å; I110-L588 HydrophobicContact CG1-CD2 4.37Å; I582-L588 HydrophobicContact CD1-CD1 4.13Å; I582-L588 HydrophobicContact CD1-CD2 3.45Å; I582-L588 VanDerWaalsContact CD1-CD2 3.45Å; I582-L588 HydrophobicContact CD1-CG 4.35Å; I582-L588 HydrophobicContact CG1-CD1 4.15Å; I582-L588 HydrophobicContact CG1-CD2 4.33Å; L584-L588 HydrophobicContact CB-CB 4.14Å; L584-L588 PolarHBondContact O-N 2.66Å; P586-L588 PolarHBondContact O-N 2.82Å; L588-C590 VanDerWaalsContact C-N 3.33Å; L588-C590 PolarHBondContact O-N 3.48Å; L588-L591 PolarHBondContact O-N 3.02Å; L588-T592 WeakPolarHBondContact O-CB 3.34Å; L588-T592 PolarHBondContact O-N 3.26Å; L588-T592 PolarHBondContact O-OG1 2.64Å
589	P	95.9	Very high	93.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.4	-39.2	172.5	-25.4	34	0	0	0	114.1	I110 V448 L449 V585 P586 T592 L593	I110-P589 HydrophobicContact CD1-CB 4.29Å; V448-P589 HydrophobicContact CG1-CG 4.31Å; L449-P589 HydrophobicContact CD1-CB 4.19Å; L449-P589 HydrophobicContact CD2-CB 3.86Å; L449-P589 HydrophobicContact CD2-CG 4.27Å; L449-P589 HydrophobicContact CG-CB 3.78Å; V585-P589 HydrophobicContact CG2-CG 4.13Å; P586-P589 WeakPolarHBondContact O-CD 3.17Å; P589-T592 PolarHBondContact O-N 3.45Å; P589-L593 WeakPolarHBondContact O-CB 3.4Å; P589-L593 PolarHBondContact O-N 2.79Å
590	C	96.8	Very high	93.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-47.9	176.4	-77.7	0	0	0	0	111.9	Y524 I563 P586 W587 L588 T592 L593 T594	Y524-C590 HydrophobicContact CE1-CB 4.05Å; Y524-C590 WeakPolarHBondContact CE1-O 3.43Å; Y524-C590 HydrophobicContact CE2-CB 3.93Å; Y524-C590 PolarHBondContact OH-O 3.24Å; I563-C590 HydrophobicContact CD1-CB 3.95Å; I563-C590 HydrophobicContact CG1-CB 3.96Å; P586-C590 VanDerWaalsContact O-CB 3.29Å; P586-C590 WeakPolarHBondContact O-CB 3.16Å; P586-C590 PolarHBondContact O-N 3.02Å; P586-C590 VanDerWaalsContact O-N 3.07Å; P586-C590 PolarHBondContact O-SG 3.48Å; W587-C590 PolarHBondContact O-N 2.95Å; L588-C590 VanDerWaalsContact C-N 3.33Å; L588-C590 PolarHBondContact O-N 3.48Å; C590-T592 VanDerWaalsContact C-N 3.3Å; C590-T592 PolarHBondContact O-N 2.93Å; C590-L593 WeakPolarHBondContact O-CB 3.33Å; C590-L593 PolarHBondContact O-N 3.42Å; C590-T594 PolarHBondContact O-N 2.91Å; C590-T594 PolarHBondContact O-OG1 3.36Å
591	L	95.7	Very high	94	Very high	49 Å²	49	33.9 Å²	33.9	26%	0.257	17%	0.172	S	C	.	.	H	α-helix	trans	-57.2	-46.3	175.1	175.9	63.7	0	0	0	111.1	L106 W587 L588 L593 T594 L595	L106-L591 HydrophobicContact CD1-CD2 4.31Å; W587-L591 HydrophobicContact CH2-CD2 3.7Å; W587-L591 HydrophobicContact CZ2-CD2 4.16Å; W587-L591 HydrophobicContact CZ3-CD2 3.92Å; W587-L591 WeakPolarHBondContact O-CB 3.1Å; W587-L591 PolarHBondContact O-N 3.45Å; L588-L591 PolarHBondContact O-N 3.02Å; L591-L593 VanDerWaalsContact C-N 3.34Å; L591-L593 PolarHBondContact O-N 3.45Å; L591-T594 PolarHBondContact O-N 3.22Å; L591-L595 HydrophobicContact CD1-CD1 4.15Å; L591-L595 HydrophobicContact CD1-CG 4.32Å; L591-L595 HydrophobicContact CG-CD1 4.02Å; L591-L595 WeakPolarHBondContact O-CG 3.3Å; L591-L595 PolarHBondContact O-N 2.77Å
592	T	96.6	Very high	94.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-42.5	179.6	-50	0	0	0	0	111.5	L106 N107 I110 L588 P589 C590 T594 L595 N596	L106-T592 HydrophobicContact CB-CG2 3.95Å; L106-T592 WeakPolarHBondContact CB-OG1 3.38Å; N107-T592 WeakPolarHBondContact OD1-CG2 3.23Å; I110-T592 HydrophobicContact CD1-CG2 3.63Å; L588-T592 WeakPolarHBondContact O-CB 3.34Å; L588-T592 PolarHBondContact O-N 3.26Å; L588-T592 PolarHBondContact O-OG1 2.64Å; P589-T592 PolarHBondContact O-N 3.45Å; C590-T592 VanDerWaalsContact C-N 3.3Å; C590-T592 PolarHBondContact O-N 2.93Å; T592-T594 PolarHBondContact O-N 2.92Å; T592-L595 PolarHBondContact O-N 3.18Å; T592-N596 WeakPolarHBondContact O-CB 3.47Å; T592-N596 VanDerWaalsContact O-CG 3.24Å; T592-N596 PolarHBondContact O-N 2.84Å; T592-N596 PolarHBondContact O-ND2 3.49Å
593	L	96.9	Very high	94.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-44.6	175.6	-178.2	61.9	0	0	0	111.5	C442 A445 I446 Y524 I525 P589 C590 L591 N596 L597	C442-L593 HydrophobicContact CB-CD1 3.91Å; A445-L593 HydrophobicContact CB-CB 4.19Å; A445-L593 HydrophobicContact CB-CD1 4.4Å; I446-L593 HydrophobicContact CG1-CD1 4.31Å; I446-L593 HydrophobicContact CG1-CD2 4.27Å; Y524-L593 HydrophobicContact CD1-CD2 4.08Å; Y524-L593 HydrophobicContact CE1-CD2 4.26Å; I525-L593 HydrophobicContact CD1-CD2 4.37Å; I525-L593 HydrophobicContact CG1-CD2 3.85Å; P589-L593 WeakPolarHBondContact O-CB 3.4Å; P589-L593 PolarHBondContact O-N 2.79Å; C590-L593 WeakPolarHBondContact O-CB 3.33Å; C590-L593 PolarHBondContact O-N 3.42Å; L591-L593 VanDerWaalsContact C-N 3.34Å; L591-L593 PolarHBondContact O-N 3.45Å; L593-N596 PolarHBondContact O-N 2.85Å; L593-L597 HydrophobicContact CG-CD1 4.32Å; L593-L597 WeakPolarHBondContact O-CB 3.34Å; L593-L597 VanDerWaalsContact O-CG 3.28Å; L593-L597 WeakPolarHBondContact O-CG 3.25Å; L593-L597 PolarHBondContact O-N 3.48Å
594	T	96.5	Very high	94	Very high	21 Å²	21	30.3 Å²	30.3	13%	0.129	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-42.2	177.1	-57.4	0	0	0	0	112.1	Y524 S528 C590 L591 T592 L597 L598	Y524-T594 VanDerWaalsContact CE1-OG1 3.31Å; Y524-T594 WeakPolarHBondContact CE1-OG1 3.49Å; Y524-T594 VanDerWaalsContact CZ-OG1 3.29Å; Y524-T594 PolarHBondContact OH-OG1 3.44Å; S528-T594 PolarHBondContact OG-OG1 3.43Å; C590-T594 PolarHBondContact O-N 2.91Å; C590-T594 PolarHBondContact O-OG1 3.36Å; L591-T594 PolarHBondContact O-N 3.22Å; T592-T594 PolarHBondContact O-N 2.92Å; T594-L597 PolarHBondContact O-N 3.05Å; T594-L598 WeakPolarHBondContact O-CB 3.45Å; T594-L598 PolarHBondContact O-N 3.37Å
595	L	95.6	Very high	94	Very high	38 Å²	38	33.7 Å²	33.7	20%	0.199	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-41.8	176.6	-68.6	171.6	0	0	0	111.6	F102 V103 L106 L591 T592 L598 L599	F102-L595 HydrophobicContact CE1-CD1 4.18Å; V103-L595 HydrophobicContact CG1-CB 4.43Å; V103-L595 HydrophobicContact CG2-CB 4.29Å; V103-L595 HydrophobicContact CG2-CD1 4.18Å; L106-L595 HydrophobicContact CD1-CD1 3.79Å; L591-L595 HydrophobicContact CD1-CD1 4.15Å; L591-L595 HydrophobicContact CD1-CG 4.32Å; L591-L595 HydrophobicContact CG-CD1 4.02Å; L591-L595 WeakPolarHBondContact O-CG 3.3Å; L591-L595 PolarHBondContact O-N 2.77Å; T592-L595 PolarHBondContact O-N 3.18Å; L595-L598 WeakPolarHBondContact O-CB 3.4Å; L595-L598 PolarHBondContact O-N 2.72Å; L595-L599 WeakPolarHBondContact O-CG 3.41Å; L595-L599 PolarHBondContact O-N 3.01Å
596	N	95.9	Very high	93.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.4	-41.7	175.7	-71.9	-21.2	0	0	0	112.1	N107 I438 Y441 C442 T592 L593 L598 L599 L600	N107-N596 PolarHBondContact ND2-OD1 3.19Å; N107-N596 PolarHBondContact OD1-ND2 2.96Å; N107-N596 PolarHBondContact OD1-OD1 3.13Å; I438-N596 HydrophobicContact CG2-CB 4.07Å; I438-N596 VanDerWaalsContact CG2-O 3.29Å; I438-N596 WeakPolarHBondContact CG2-O 3.44Å; Y441-N596 WeakPolarHBondContact CB-ND2 3.32Å; C442-N596 VanDerWaalsContact SG-CB 3.56Å; T592-N596 WeakPolarHBondContact O-CB 3.47Å; T592-N596 VanDerWaalsContact O-CG 3.24Å; T592-N596 PolarHBondContact O-N 2.84Å; T592-N596 PolarHBondContact O-ND2 3.49Å; L593-N596 PolarHBondContact O-N 2.85Å; N596-L598 VanDerWaalsContact C-N 3.29Å; N596-L598 PolarHBondContact O-N 3.44Å; N596-L599 PolarHBondContact O-N 3.18Å; N596-L600 VanDerWaalsContact O-CB 3.3Å; N596-L600 WeakPolarHBondContact O-CB 3.29Å; N596-L600 PolarHBondContact O-N 2.94Å
597	L	96	Very high	93.8	Very high	25 Å²	25	38.5 Å²	38.5	13%	0.131	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-38	173.8	-71.4	172.3	0	0	0	111.5	I532 L593 T594 L600 S601	I532-L597 VanDerWaalsContact CD1-C 3.42Å; I532-L597 HydrophobicContact CD1-CB 3.52Å; L593-L597 HydrophobicContact CG-CD1 4.32Å; L593-L597 WeakPolarHBondContact O-CB 3.34Å; L593-L597 VanDerWaalsContact O-CG 3.28Å; L593-L597 WeakPolarHBondContact O-CG 3.25Å; L593-L597 PolarHBondContact O-N 3.48Å; T594-L597 PolarHBondContact O-N 3.05Å; L597-L600 PolarHBondContact O-N 2.82Å; L597-S601 PolarHBondContact O-N 3.44Å
598	L	93.9	Very high	93.7	Very high	39 Å²	39	36.5 Å²	36.5	20%	0.204	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-47.4	174.1	-179.7	68.2	0	0	0	110.8	I269 I532 T594 L595 N596 L600 S601	I269-L598 HydrophobicContact CG2-CD1 4.44Å; I269-L598 HydrophobicContact CG2-CD2 4.28Å; I269-L598 HydrophobicContact CG2-CG 4.32Å; I532-L598 HydrophobicContact CD1-CB 4.37Å; I532-L598 HydrophobicContact CG1-CB 4.45Å; I532-L598 HydrophobicContact CG1-CD1 4.23Å; I532-L598 HydrophobicContact CG2-CD1 4.46Å; T594-L598 WeakPolarHBondContact O-CB 3.45Å; T594-L598 PolarHBondContact O-N 3.37Å; L595-L598 WeakPolarHBondContact O-CB 3.4Å; L595-L598 PolarHBondContact O-N 2.72Å; N596-L598 VanDerWaalsContact C-N 3.29Å; N596-L598 PolarHBondContact O-N 3.44Å; L598-L600 VanDerWaalsContact C-N 3.31Å; L598-L600 PolarHBondContact O-N 3.46Å; L598-S601 WeakPolarHBondContact O-CB 3.38Å; L598-S601 PolarHBondContact O-N 2.83Å; L598-S601 PolarHBondContact O-OG 3.42Å
599	L	93.9	Very high	93.7	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-43.1	177.2	-65.2	-176.6	0	0	0	111.6	V103 T272 T273 F276 I438 L595 N596 S601 Q602	V103-L599 HydrophobicContact CG1-CD1 3.85Å; T272-L599 HydrophobicContact CG2-CD2 3.75Å; T273-L599 HydrophobicContact CG2-CB 4.42Å; T273-L599 VanDerWaalsContact CG2-O 3.29Å; T273-L599 WeakPolarHBondContact CG2-O 3.37Å; T273-L599 VanDerWaalsContact OG1-CA 3.3Å; T273-L599 WeakPolarHBondContact OG1-CA 3.49Å; T273-L599 WeakPolarHBondContact OG1-CD2 3.38Å; T273-L599 PolarHBondContact OG1-O 2.7Å; F276-L599 HydrophobicContact CB-CD1 4.26Å; F276-L599 HydrophobicContact CD1-CD1 4.39Å; F276-L599 HydrophobicContact CD2-CD1 3.95Å; F276-L599 HydrophobicContact CE2-CD1 4.39Å; F276-L599 HydrophobicContact CG-CD1 3.94Å; I438-L599 HydrophobicContact CD1-CB 3.88Å; I438-L599 HydrophobicContact CD1-CD1 4.41Å; L595-L599 WeakPolarHBondContact O-CG 3.41Å; L595-L599 PolarHBondContact O-N 3.01Å; N596-L599 PolarHBondContact O-N 3.18Å; L599-S601 PolarHBondContact O-N 2.94Å; L599-Q602 PolarHBondContact O-N 3.08Å; L599-Q602 VanDerWaalsContact O-N 3.09Å
600	L	94	Very high	93.5	Very high	17 Å²	17	39.9 Å²	39.9	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-35	178.9	-168.5	64	0	0	0	112.1	L435 I438 I439 N596 L597 L598 Q602 I603 W608	L435-L600 HydrophobicContact CG-CD1 4.11Å; I438-L600 HydrophobicContact CG2-CB 3.94Å; I438-L600 HydrophobicContact CG2-CD1 4.19Å; I439-L600 HydrophobicContact CG1-CD1 4.05Å; I439-L600 HydrophobicContact CG1-CD2 4.28Å; N596-L600 VanDerWaalsContact O-CB 3.3Å; N596-L600 WeakPolarHBondContact O-CB 3.29Å; N596-L600 PolarHBondContact O-N 2.94Å; L597-L600 PolarHBondContact O-N 2.82Å; L598-L600 VanDerWaalsContact C-N 3.31Å; L598-L600 PolarHBondContact O-N 3.46Å; L600-Q602 VanDerWaalsContact C-N 3.26Å; L600-Q602 PolarHBondContact O-N 2.98Å; L600-I603 HydrophobicContact CD1-CD1 4.12Å; L600-I603 PolarHBondContact O-N 2.65Å; L600-W608 HydrophobicContact CD1-CH2 4Å; L600-W608 HydrophobicContact CD1-CZ2 3.77Å; L600-W608 HydrophobicContact CD2-CH2 3.75Å; L600-W608 HydrophobicContact CD2-CZ2 3.96Å; L600-W608 HydrophobicContact CG-CH2 3.82Å; L600-W608 HydrophobicContact CG-CZ2 3.51Å
601	S	92	Very high	93.3	Very high	48 Å²	48	40.7 Å²	40.7	34%	0.336	20%	0.196	S	C	.	.	H	α-helix	trans	-67.5	-22.9	176.9	79.1	0	0	0	0	114.5	I532 L597 L598 L599	I532-S601 VanDerWaalsContact CG2-CB 3.4Å; I532-S601 WeakPolarHBondContact CG2-OG 3.46Å; L597-S601 PolarHBondContact O-N 3.44Å; L598-S601 WeakPolarHBondContact O-CB 3.38Å; L598-S601 PolarHBondContact O-N 2.83Å; L598-S601 PolarHBondContact O-OG 3.42Å; L599-S601 PolarHBondContact O-N 2.94Å
602	Q	90.9	Very high	93.3	Very high	41 Å²	41	40.1 Å²	40.1	19%	0.192	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-4.9	-179.5	-57.2	-57.3	-55.5	0	0	112.8	I269 T273 L599 L600	I269-Q602 HydrophobicContact CG2-CG 4.08Å; T273-Q602 WeakPolarHBondContact OG1-CB 3.38Å; L599-Q602 PolarHBondContact O-N 3.08Å; L599-Q602 VanDerWaalsContact O-N 3.09Å; L600-Q602 VanDerWaalsContact C-N 3.26Å; L600-Q602 PolarHBondContact O-N 2.98Å
603	I	90.5	Very high	93.2	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.077	23%	0.23	C	C	.	.	S	Bend	trans	-73.7	140.3	177.7	-62	-176.4	0	0	0	110.2	T273 L435 I438 L600 S607	T273-I603 HydrophobicContact CG2-CD1 4.15Å; T273-I603 HydrophobicContact CG2-CG1 3.46Å; T273-I603 VanDerWaalsContact CG2-CG1 3.46Å; L435-I603 VanDerWaalsContact CA-CD1 3.47Å; L435-I603 HydrophobicContact CB-CD1 3.63Å; L435-I603 HydrophobicContact CB-CG2 4.33Å; L435-I603 HydrophobicContact CD1-CG2 3.97Å; L435-I603 HydrophobicContact CG-CD1 4.11Å; I438-I603 HydrophobicContact CD1-CD1 4.07Å; L600-I603 HydrophobicContact CD1-CD1 4.12Å; L600-I603 PolarHBondContact O-N 2.65Å; I603-S607 VanDerWaalsContact CG2-CB 3.48Å
604	S	87.8	Confident	93	Very high	50 Å²	50	46.2 Å²	46.2	35%	0.35	23%	0.233	S	C	.	.			trans	-56.6	143.1	178.8	81.2	0	0	0	0	113	F606 S607 W608	S604-F606 PolarHBondContact O-N 3.22Å; S604-S607 WeakPolarHBondContact O-CB 3.32Å; S604-S607 PolarHBondContact O-N 3.06Å; S604-S607 PolarHBondContact OG-N 3.07Å; S604-S607 PolarHBondContact OG-OG 2.73Å; S604-W608 PolarHBondContact O-N 3.43Å
605	W	90.6	Very high	93	Very high	188 Å²	188	46 Å²	46	71%	0.712	23%	0.23	S	C	*	.	H	α-helix	trans	-55	-34.3	174.4	177	-110.7	0	0	0	112.9	S607 W608 V609	W605-S607 VanDerWaalsContact C-N 3.32Å; W605-S607 PolarHBondContact O-N 3.4Å; W605-W608 HydrophobicContact CE3-CB 4.32Å; W605-W608 WeakPolarHBondContact O-CB 3.43Å; W605-W608 PolarHBondContact O-N 3.38Å; W605-W608 VanDerWaalsContact O-N 3.13Å; W605-V609 HydrophobicContact CD2-CG2 4.48Å; W605-V609 HydrophobicContact CZ2-CG2 4.23Å; W605-V609 PolarHBondContact O-N 2.95Å
606	F	89.7	Confident	93	Very high	124 Å²	124	49.2 Å²	49.2	54%	0.544	25%	0.247	S	C	.	.	H	α-helix	trans	-64.4	-33.3	177.4	-62.8	-67.7	0	0	0	113.4	L188 S604 W608 R610	L188-F606 HydrophobicContact CD1-CB 3.8Å; L188-F606 HydrophobicContact CD1-CG 4.36Å; L188-F606 HydrophobicContact CD2-CB 3.82Å; L188-F606 HydrophobicContact CD2-CD1 4.19Å; L188-F606 HydrophobicContact CD2-CG 4.08Å; L188-F606 HydrophobicContact CG-CB 4.46Å; S604-F606 PolarHBondContact O-N 3.22Å; F606-W608 VanDerWaalsContact C-N 3.33Å; F606-R610 VanDerWaalsContact O-CG 3.32Å; F606-R610 WeakPolarHBondContact O-CG 3.24Å; F606-R610 PolarHBondContact O-N 3.37Å; F606-R610 VanDerWaalsContact O-N 3.14Å; F606-R610 PolarHBondContact O-NE 3.03Å; F606-R610 VanDerWaalsContact O-NE 3.1Å
607	S	90.9	Very high	93	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.3	-38.2	173.1	-59.6	0	0	0	0	111.5	S431 I603 S604 W605 R610 Y611	S431-S607 PolarHBondContact O-OG 3.19Å; S431-S607 PolarHBondContact OG-OG 3.41Å; S431-S607 VanDerWaalsContact OG-OG 3.09Å; I603-S607 VanDerWaalsContact CG2-CB 3.48Å; S604-S607 WeakPolarHBondContact O-CB 3.32Å; S604-S607 PolarHBondContact O-N 3.06Å; S604-S607 PolarHBondContact OG-N 3.07Å; S604-S607 PolarHBondContact OG-OG 2.73Å; W605-S607 VanDerWaalsContact C-N 3.32Å; W605-S607 PolarHBondContact O-N 3.4Å; S607-R610 PolarHBondContact O-N 3.31Å; S607-R610 PolarHBondContact OG-NH2 3.32Å; S607-Y611 WeakPolarHBondContact O-CB 3.28Å; S607-Y611 PolarHBondContact O-N 3.49Å
608	W	93.5	Very high	92.9	Very high	90 Å²	90	52 Å²	52	34%	0.341	26%	0.258	S	S	.	.	H	α-helix	trans	-63.4	-42.9	175.3	-76.6	99.7	0	0	0	112.8	L435 I439 L600 S604 W605 F606 Y611 G612	L435-W608 HydrophobicContact CD1-CB 4.45Å; L435-W608 HydrophobicContact CD1-CD2 3.83Å; L435-W608 HydrophobicContact CD1-CE3 4.26Å; L435-W608 HydrophobicContact CD1-CG 3.89Å; I439-W608 HydrophobicContact CD1-CZ3 4.5Å; L600-W608 HydrophobicContact CD1-CH2 4Å; L600-W608 HydrophobicContact CD1-CZ2 3.77Å; L600-W608 HydrophobicContact CD2-CH2 3.75Å; L600-W608 HydrophobicContact CD2-CZ2 3.96Å; L600-W608 HydrophobicContact CG-CH2 3.82Å; L600-W608 HydrophobicContact CG-CZ2 3.51Å; S604-W608 PolarHBondContact O-N 3.43Å; W605-W608 HydrophobicContact CE3-CB 4.32Å; W605-W608 WeakPolarHBondContact O-CB 3.43Å; W605-W608 PolarHBondContact O-N 3.38Å; W605-W608 VanDerWaalsContact O-N 3.13Å; F606-W608 VanDerWaalsContact C-N 3.33Å; W608-Y611 PolarHBondContact O-N 3.24Å; W608-G612 PolarHBondContact O-N 3.28Å
609	V	94.1	Very high	92.9	Very high	61 Å²	61	52.3 Å²	52.3	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-46.9	176	175.3	0	0	0	0	110.7	W605 G612 I613	W605-V609 HydrophobicContact CD2-CG2 4.48Å; W605-V609 HydrophobicContact CZ2-CG2 4.23Å; W605-V609 PolarHBondContact O-N 2.95Å; V609-G612 PolarHBondContact O-N 3.12Å; V609-I613 HydrophobicContact CG1-CD1 3.91Å; V609-I613 VanDerWaalsContact O-CG1 3.3Å; V609-I613 WeakPolarHBondContact O-CG1 3.47Å; V609-I613 PolarHBondContact O-N 2.86Å
610	R	91.7	Very high	93	Very high	23 Å²	23	57.2 Å²	57.2	9%	0.087	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-46.4	178.9	-70.8	176.4	-67.3	172.8	5.2	112.4	S428 S431 F432 F606 S607 G612 I613 W614	S428-R610 PolarHBondContact O-NH1 3.36Å; S428-R610 PolarHBondContact O-NH2 3.29Å; S428-R610 PolarHBondContact OG-NH1 2.91Å; S431-R610 PolarHBondContact OG-NH2 3.25Å; F432-R610 HydrophobicContact CD1-CB 4.37Å; F432-R610 HydrophobicContact CD2-CB 4.42Å; F432-R610 HydrophobicContact CE1-CB 4.16Å; F432-R610 HydrophobicContact CE2-CB 4.25Å; F432-R610 HydrophobicContact CZ-CB 4.12Å; F606-R610 VanDerWaalsContact O-CG 3.32Å; F606-R610 WeakPolarHBondContact O-CG 3.24Å; F606-R610 PolarHBondContact O-N 3.37Å; F606-R610 VanDerWaalsContact O-N 3.14Å; F606-R610 PolarHBondContact O-NE 3.03Å; F606-R610 VanDerWaalsContact O-NE 3.1Å; S607-R610 PolarHBondContact O-N 3.31Å; S607-R610 PolarHBondContact OG-NH2 3.32Å; R610-G612 VanDerWaalsContact C-N 3.34Å; R610-I613 PolarHBondContact O-N 3.18Å; R610-W614 PolarHBondContact O-N 2.99Å; R610-W614 VanDerWaalsContact O-N 3.08Å
611	Y	93.2	Very high	92.9	Very high	17 Å²	17	57.9 Å²	57.9	7%	0.067	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-42.9	174.8	-177	-101.6	0	0	0	111.2	S143 F432 L435 I439 S607 W608 I613 W614 M615	S143-Y611 PolarHBondContact OG-OH 3.25Å; F432-Y611 HydrophobicContact CE2-CD2 4.1Å; F432-Y611 HydrophobicContact CE2-CG 4.42Å; L435-Y611 HydrophobicContact CD2-CD1 3.51Å; L435-Y611 HydrophobicContact CD2-CD2 3.57Å; L435-Y611 HydrophobicContact CD2-CE1 3.98Å; L435-Y611 HydrophobicContact CD2-CE2 4.05Å; L435-Y611 HydrophobicContact CD2-CG 3.27Å; I439-Y611 HydrophobicContact CD1-CD1 4.06Å; I439-Y611 HydrophobicContact CD1-CE1 3.36Å; I439-Y611 HydrophobicContact CD1-CE2 4.46Å; S607-Y611 WeakPolarHBondContact O-CB 3.28Å; S607-Y611 PolarHBondContact O-N 3.49Å; W608-Y611 PolarHBondContact O-N 3.24Å; Y611-I613 PolarHBondContact O-N 3.01Å; Y611-W614 PolarHBondContact O-N 3.11Å; Y611-M615 HydrophobicContact CD1-CG 3.61Å; Y611-M615 HydrophobicContact CD2-CG 4.11Å; Y611-M615 HydrophobicContact CE1-CB 4.49Å; Y611-M615 HydrophobicContact CE1-CG 3.24Å; Y611-M615 HydrophobicContact CE1-SD 4.02Å; Y611-M615 HydrophobicContact CE2-CG 3.78Å; Y611-M615 HydrophobicContact CE2-SD 3.8Å; Y611-M615 HydrophobicContact CG-CG 4.04Å; Y611-M615 VanDerWaalsContact O-CB 3.28Å; Y611-M615 WeakPolarHBondContact O-CB 3.41Å; Y611-M615 VanDerWaalsContact O-CG 3.24Å; Y611-M615 WeakPolarHBondContact O-CG 2.93Å; Y611-M615 PolarHBondContact O-N 3.11Å; Y611-M615 PolarHBondContact OH-SD 2.82Å; Y611-M615 VanDerWaalsContact OH-SD 3.36Å
612	G	94.6	Very high	93	Very high	37 Å²	37	55.6 Å²	55.6	38%	0.381	27%	0.273	S	S	.	.	H	α-helix	trans	-58.9	-45.8	176.7	0	0	0	0	0	113	W608 V609 R610 W614 M615 L616	W608-G612 PolarHBondContact O-N 3.28Å; V609-G612 PolarHBondContact O-N 3.12Å; R610-G612 VanDerWaalsContact C-N 3.34Å; G612-W614 PolarHBondContact O-N 3.4Å; G612-M615 PolarHBondContact O-N 3.24Å; G612-L616 VanDerWaalsContact O-CB 3.28Å; G612-L616 WeakPolarHBondContact O-CB 3.32Å; G612-L616 PolarHBondContact O-N 3.47Å
613	I	95.1	Very high	93	Very high	114 Å²	114	56.9 Å²	56.9	59%	0.585	28%	0.278	S	S	*	.	H	α-helix	trans	-60.4	-46	175.7	-67.6	164.3	0	0	0	110.5	V609 R610 Y611 L616 F617	V609-I613 HydrophobicContact CG1-CD1 3.91Å; V609-I613 VanDerWaalsContact O-CG1 3.3Å; V609-I613 WeakPolarHBondContact O-CG1 3.47Å; V609-I613 PolarHBondContact O-N 2.86Å; R610-I613 PolarHBondContact O-N 3.18Å; Y611-I613 PolarHBondContact O-N 3.01Å; I613-L616 PolarHBondContact O-N 3.15Å; I613-F617 PolarHBondContact O-N 3.38Å
614	W	93.6	Very high	93	Very high	17 Å²	17	60.6 Å²	60.6	6%	0.064	31%	0.305	C	S	.	.	H	α-helix	trans	-70.1	-39.7	-179.2	-170.8	-81.3	0	0	0	113.2	W142 V146 I149 F412 F416 F420 R610 Y611 G612 L616 F617 G618	W142-W614 AromaticContact CD1-CD1 3.82Å; W142-W614 AromaticContact CD1-NE1 3.9Å; W142-W614 AromaticContact CE2-CD1 3.79Å; W142-W614 AromaticContact CE2-NE1 3.19Å; W142-W614 AromaticContact CZ2-CE2 3.86Å; W142-W614 HydrophobicContact CZ2-CZ2 4.14Å; W142-W614 AromaticContact CZ2-NE1 3.29Å; W142-W614 VanDerWaalsContact CZ2-NE1 3.29Å; W142-W614 AromaticContact NE1-CD1 3.06Å; W142-W614 AromaticContact NE1-NE1 2.99Å; W142-W614 PolarHBondContact NE1-O 3.13Å; W142-W614 VanDerWaalsContact NE1-O 3.1Å; V146-W614 HydrophobicContact CG2-CD2 4.1Å; V146-W614 HydrophobicContact CG2-CG 3.81Å; V146-W614 HydrophobicContact CG2-CZ2 4.26Å; I149-W614 HydrophobicContact CD1-CZ2 4.33Å; F412-W614 HydrophobicContact CZ-CH2 4.33Å; F412-W614 HydrophobicContact CZ-CZ2 4.39Å; F416-W614 HydrophobicContact CB-CH2 4.12Å; F416-W614 AromaticContact CD1-CH2 3.5Å; F416-W614 HydrophobicContact CD1-CH2 3.5Å; F416-W614 VanDerWaalsContact CD1-CH2 3.5Å; F416-W614 AromaticContact CD1-CZ3 3.31Å; F416-W614 HydrophobicContact CD1-CZ3 3.31Å; F416-W614 AromaticContact CD2-CH2 3.9Å; F416-W614 HydrophobicContact CD2-CH2 3.9Å; F416-W614 AromaticContact CE1-CH2 3.75Å; F416-W614 HydrophobicContact CE1-CH2 3.75Å; F416-W614 AromaticContact CE1-CZ3 3.41Å; F416-W614 HydrophobicContact CE1-CZ3 3.41Å; F416-W614 VanDerWaalsContact CE1-CZ3 3.41Å; F416-W614 HydrophobicContact CE2-CH2 4.17Å; F416-W614 AromaticContact CG-CH2 3.55Å; F416-W614 HydrophobicContact CG-CH2 3.55Å; F416-W614 AromaticContact CG-CZ3 3.9Å; F416-W614 HydrophobicContact CG-CZ3 3.9Å; F416-W614 HydrophobicContact CZ-CH2 4.08Å; F416-W614 HydrophobicContact CZ-CZ3 4.1Å; F420-W614 HydrophobicContact CE2-CE3 4.18Å; F420-W614 HydrophobicContact CE2-CH2 4.27Å; F420-W614 AromaticContact CE2-CZ3 3.79Å; F420-W614 HydrophobicContact CE2-CZ3 3.79Å; F420-W614 AromaticContact CZ-CE3 3.71Å; F420-W614 HydrophobicContact CZ-CE3 3.71Å; F420-W614 AromaticContact CZ-CZ3 3.68Å; F420-W614 HydrophobicContact CZ-CZ3 3.68Å; R610-W614 PolarHBondContact O-N 2.99Å; R610-W614 VanDerWaalsContact O-N 3.08Å; Y611-W614 PolarHBondContact O-N 3.11Å; G612-W614 PolarHBondContact O-N 3.4Å; W614-L616 VanDerWaalsContact C-N 3.32Å; W614-F617 WeakPolarHBondContact O-CB 3.34Å; W614-F617 PolarHBondContact O-N 3.44Å; W614-G618 PolarHBondContact O-N 2.99Å
615	M	95.2	Very high	93.1	Very high	16 Å²	16	61.3 Å²	61.3	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-39.9	174.6	-76.1	-53.6	-56.6	0	0	111	V139 Y611 G612 F617 G618 L619	V139-M615 HydrophobicContact CB-CE 4.2Å; V139-M615 HydrophobicContact CG1-CE 3.84Å; V139-M615 HydrophobicContact CG2-CE 3.98Å; Y611-M615 HydrophobicContact CD1-CG 3.61Å; Y611-M615 HydrophobicContact CD2-CG 4.11Å; Y611-M615 HydrophobicContact CE1-CB 4.49Å; Y611-M615 HydrophobicContact CE1-CG 3.24Å; Y611-M615 HydrophobicContact CE1-SD 4.02Å; Y611-M615 HydrophobicContact CE2-CG 3.78Å; Y611-M615 HydrophobicContact CE2-SD 3.8Å; Y611-M615 HydrophobicContact CG-CG 4.04Å; Y611-M615 VanDerWaalsContact O-CB 3.28Å; Y611-M615 WeakPolarHBondContact O-CB 3.41Å; Y611-M615 VanDerWaalsContact O-CG 3.24Å; Y611-M615 WeakPolarHBondContact O-CG 2.93Å; Y611-M615 PolarHBondContact O-N 3.11Å; Y611-M615 PolarHBondContact OH-SD 2.82Å; Y611-M615 VanDerWaalsContact OH-SD 3.36Å; G612-M615 PolarHBondContact O-N 3.24Å; M615-F617 VanDerWaalsContact C-N 3.34Å; M615-F617 PolarHBondContact O-N 2.87Å; M615-G618 PolarHBondContact O-N 3.29Å; M615-L619 WeakPolarHBondContact O-CB 3.19Å; M615-L619 VanDerWaalsContact O-CG 3.28Å; M615-L619 WeakPolarHBondContact O-CG 3.37Å; M615-L619 PolarHBondContact O-N 3.44Å
616	L	96.2	Very high	93	Very high	106 Å²	106	52.4 Å²	52.4	56%	0.555	27%	0.267	S	S	*	.	H	α-helix	trans	-60	-46.2	173.8	-177.6	66.4	0	0	0	110.7	G612 I613 W614 G618 L619 L620	G612-L616 VanDerWaalsContact O-CB 3.28Å; G612-L616 WeakPolarHBondContact O-CB 3.32Å; G612-L616 PolarHBondContact O-N 3.47Å; I613-L616 PolarHBondContact O-N 3.15Å; W614-L616 VanDerWaalsContact C-N 3.32Å; L616-G618 VanDerWaalsContact C-N 3.32Å; L616-G618 PolarHBondContact O-N 2.81Å; L616-L619 PolarHBondContact O-N 3.24Å; L616-L620 HydrophobicContact CG-CD1 4.41Å; L616-L620 VanDerWaalsContact O-CG 3.28Å; L616-L620 WeakPolarHBondContact O-CG 3.41Å; L616-L620 PolarHBondContact O-N 3.36Å
617	F	94.7	Very high	92.8	Very high	82 Å²	82	46.5 Å²	46.5	36%	0.36	24%	0.241	S	C	.	.	H	α-helix	trans	-57	-44.3	174.9	178.6	-112.8	0	0	0	112.2	W142 F412 I613 W614 M615 L620 I621	W142-F617 HydrophobicContact CH2-CD1 4.35Å; W142-F617 HydrophobicContact CH2-CE1 4.31Å; W142-F617 AromaticContact CZ2-CD1 3.83Å; W142-F617 HydrophobicContact CZ2-CD1 3.83Å; W142-F617 HydrophobicContact CZ2-CE1 4.24Å; F412-F617 HydrophobicContact CE2-CE1 4.33Å; F412-F617 HydrophobicContact CZ-CE1 4.2Å; I613-F617 PolarHBondContact O-N 3.38Å; W614-F617 WeakPolarHBondContact O-CB 3.34Å; W614-F617 PolarHBondContact O-N 3.44Å; M615-F617 VanDerWaalsContact C-N 3.34Å; M615-F617 PolarHBondContact O-N 2.87Å; F617-L620 PolarHBondContact O-N 3.27Å; F617-I621 HydrophobicContact CD1-CD1 4.31Å; F617-I621 HydrophobicContact CE1-CD1 3.83Å; F617-I621 HydrophobicContact CE2-CD1 4.4Å; F617-I621 HydrophobicContact CZ-CD1 3.88Å; F617-I621 WeakPolarHBondContact O-CG1 3.23Å; F617-I621 PolarHBondContact O-N 3.4Å
618	G	94.6	Very high	92.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-46.9	174.5	0	0	0	0	0	113.7	F138 W142 W614 M615 L616 L620 I621 Y622	F138-G618 WeakPolarHBondContact CZ-O 3.49Å; W142-G618 VanDerWaalsContact CZ2-CA 3.48Å; W142-G618 VanDerWaalsContact NE1-CA 3.33Å; W614-G618 PolarHBondContact O-N 2.99Å; M615-G618 PolarHBondContact O-N 3.29Å; L616-G618 VanDerWaalsContact C-N 3.32Å; L616-G618 PolarHBondContact O-N 2.81Å; G618-L620 VanDerWaalsContact C-N 3.27Å; G618-L620 PolarHBondContact O-N 3.27Å; G618-I621 WeakPolarHBondContact O-CB 3.36Å; G618-I621 PolarHBondContact O-N 3.21Å; G618-I621 VanDerWaalsContact O-N 3.07Å; G618-Y622 PolarHBondContact O-N 3.41Å
619	L	94.7	Very high	92.2	Very high	46 Å²	46	49.7 Å²	49.7	24%	0.241	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-36.3	179.4	-72.6	172.2	0	0	0	111.4	F138 M615 L616 I621 Y622 F623	F138-L619 HydrophobicContact CD1-CD2 4.17Å; F138-L619 HydrophobicContact CE1-CD2 4.1Å; M615-L619 WeakPolarHBondContact O-CB 3.19Å; M615-L619 VanDerWaalsContact O-CG 3.28Å; M615-L619 WeakPolarHBondContact O-CG 3.37Å; M615-L619 PolarHBondContact O-N 3.44Å; L616-L619 PolarHBondContact O-N 3.24Å; L619-I621 VanDerWaalsContact C-N 3.33Å; L619-I621 PolarHBondContact O-N 3.04Å; L619-Y622 PolarHBondContact O-N 3.24Å; L619-F623 HydrophobicContact CB-CD2 4.25Å; L619-F623 HydrophobicContact CB-CE2 4.35Å; L619-F623 HydrophobicContact CD2-CE2 4.13Å; L619-F623 WeakPolarHBondContact O-CB 3.41Å; L619-F623 WeakPolarHBondContact O-CD2 3.48Å; L619-F623 PolarHBondContact O-N 3.3Å
620	L	95.4	Very high	91.8	Very high	109 Å²	109	46.8 Å²	46.8	57%	0.571	24%	0.241	S	C	*	.	H	α-helix	trans	-60.7	-42.1	172.8	-72.3	172.8	0	0	0	111.6	L616 F617 G618 S624	L616-L620 HydrophobicContact CG-CD1 4.41Å; L616-L620 VanDerWaalsContact O-CG 3.28Å; L616-L620 WeakPolarHBondContact O-CG 3.41Å; L616-L620 PolarHBondContact O-N 3.36Å; F617-L620 PolarHBondContact O-N 3.27Å; G618-L620 VanDerWaalsContact C-N 3.27Å; G618-L620 PolarHBondContact O-N 3.27Å; L620-S624 WeakPolarHBondContact O-CB 3.17Å; L620-S624 PolarHBondContact O-N 3.38Å; L620-S624 PolarHBondContact O-OG 3.47Å
621	I	93	Very high	91.4	Very high	31 Å²	31	47.4 Å²	47.4	16%	0.159	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-43.4	174.3	-63.7	167	0	0	0	110.7	W142 I392 F617 G618 L619 S624 Y625 G626	W142-I621 HydrophobicContact CH2-CD1 3.89Å; W142-I621 HydrophobicContact CZ2-CD1 4.49Å; I392-I621 HydrophobicContact CG2-CG2 4.22Å; F617-I621 HydrophobicContact CD1-CD1 4.31Å; F617-I621 HydrophobicContact CE1-CD1 3.83Å; F617-I621 HydrophobicContact CE2-CD1 4.4Å; F617-I621 HydrophobicContact CZ-CD1 3.88Å; F617-I621 WeakPolarHBondContact O-CG1 3.23Å; F617-I621 PolarHBondContact O-N 3.4Å; G618-I621 WeakPolarHBondContact O-CB 3.36Å; G618-I621 PolarHBondContact O-N 3.21Å; G618-I621 VanDerWaalsContact O-N 3.07Å; L619-I621 VanDerWaalsContact C-N 3.33Å; L619-I621 PolarHBondContact O-N 3.04Å; I621-S624 PolarHBondContact O-OG 3.22Å; I621-Y625 WeakPolarHBondContact O-CB 3.49Å; I621-Y625 PolarHBondContact O-N 2.86Å; I621-G626 PolarHBondContact O-N 3.1Å
622	Y	92.6	Very high	90.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.	I	π-helix	trans	-64.2	-49.6	179.8	176.3	-103.7	0	0	0	112.6	E134 F138 F391 G618 L619 S624 G626 I627	E134-Y622 HydrophobicContact CG-CE2 4.12Å; E134-Y622 WeakPolarHBondContact CG-OH 3.3Å; E134-Y622 VanDerWaalsContact OE1-CE2 3.22Å; E134-Y622 WeakPolarHBondContact OE1-CE2 3.42Å; E134-Y622 VanDerWaalsContact OE1-CZ 3.3Å; E134-Y622 PolarHBondContact OE1-OH 2.95Å; F138-Y622 HydrophobicContact CB-CD2 4.04Å; F138-Y622 HydrophobicContact CB-CE2 4.21Å; F138-Y622 HydrophobicContact CD1-CD2 4.19Å; F138-Y622 AromaticContact CD1-CG 3.93Å; F138-Y622 HydrophobicContact CD1-CG 3.93Å; F138-Y622 AromaticContact CD2-CD2 3.76Å; F138-Y622 HydrophobicContact CD2-CD2 3.76Å; F138-Y622 HydrophobicContact CD2-CG 4.2Å; F138-Y622 HydrophobicContact CE1-CG 4.24Å; F138-Y622 HydrophobicContact CE2-CD2 4.32Å; F138-Y622 HydrophobicContact CE2-CG 4.47Å; F138-Y622 AromaticContact CG-CD2 3.68Å; F138-Y622 HydrophobicContact CG-CD2 3.68Å; F138-Y622 HydrophobicContact CG-CE2 4.35Å; F138-Y622 AromaticContact CG-CG 3.92Å; F138-Y622 HydrophobicContact CG-CG 3.92Å; F391-Y622 HydrophobicContact CD1-CD2 4.49Å; F391-Y622 HydrophobicContact CD1-CE2 4.28Å; G618-Y622 PolarHBondContact O-N 3.41Å; L619-Y622 PolarHBondContact O-N 3.24Å; Y622-S624 PolarHBondContact O-N 2.98Å; Y622-G626 CarbonylContact O-C 3.58Å; Y622-G626 VanDerWaalsContact O-CA 3.27Å; Y622-G626 WeakPolarHBondContact O-CA 3.26Å; Y622-G626 PolarHBondContact O-N 3.37Å; Y622-I627 HydrophobicContact CE1-CB 4.44Å; Y622-I627 HydrophobicContact CE1-CD1 4.44Å; Y622-I627 PolarHBondContact O-N 3.05Å
623	F	92.2	Very high	90.1	Very high	69 Å²	69	51.6 Å²	51.6	30%	0.303	25%	0.252	S	S	.	.	I	π-helix	trans	-72.5	-27.6	-179	-77.5	-68.2	0	0	0	113.4	Y33 L41 L135 L619	Y33-F623 WeakPolarHBondContact CE2-O 3.42Å; Y33-F623 PolarHBondContact OH-O 3.02Å; L41-F623 HydrophobicContact CD1-CE1 4.38Å; L135-F623 HydrophobicContact CD1-CZ 4.16Å; L619-F623 HydrophobicContact CB-CD2 4.25Å; L619-F623 HydrophobicContact CB-CE2 4.35Å; L619-F623 HydrophobicContact CD2-CE2 4.13Å; L619-F623 WeakPolarHBondContact O-CB 3.41Å; L619-F623 WeakPolarHBondContact O-CD2 3.48Å; L619-F623 PolarHBondContact O-N 3.3Å
624	S	90.4	Very high	89.2	Confident	92 Å²	92	47.4 Å²	47.4	64%	0.643	23%	0.233	S	C	*	.	I	π-helix	trans	-81.8	-37.2	177.2	60.8	0	0	0	0	113.3	L620 I621 Y622	L620-S624 WeakPolarHBondContact O-CB 3.17Å; L620-S624 PolarHBondContact O-N 3.38Å; L620-S624 PolarHBondContact O-OG 3.47Å; I621-S624 PolarHBondContact O-OG 3.22Å; Y622-S624 PolarHBondContact O-N 2.98Å
625	Y	89.9	Confident	88.5	Confident	66 Å²	66	51.5 Å²	51.5	26%	0.259	25%	0.253	S	S	.	.	I	π-helix	trans	-124	-53.5	-174.4	178.7	-91.1	0	0	0	112.9	I392 P393 C394 I621 I627 K628 N629	I392-Y625 VanDerWaalsContact O-CE1 3.26Å; I392-Y625 WeakPolarHBondContact O-CE1 3.47Å; P393-Y625 VanDerWaalsContact CA-CE1 3.45Å; P393-Y625 HydrophobicContact CB-CE1 4.44Å; P393-Y625 HydrophobicContact CG-CD1 4.1Å; P393-Y625 HydrophobicContact CG-CD2 4.38Å; P393-Y625 HydrophobicContact CG-CE1 4.47Å; P393-Y625 HydrophobicContact CG-CG 4.06Å; C394-Y625 PolarHBondContact SG-OH 3.2Å; C394-Y625 VanDerWaalsContact SG-OH 3.4Å; I621-Y625 WeakPolarHBondContact O-CB 3.49Å; I621-Y625 PolarHBondContact O-N 2.86Å; Y625-I627 PolarHBondContact O-N 2.87Å; Y625-K628 PolarHBondContact O-N 2.64Å; Y625-N629 HydrophobicContact CD1-CB 4.32Å; Y625-N629 HydrophobicContact CE1-CB 3.81Å; Y625-N629 PolarHBondContact O-N 3.45Å; Y625-N629 VanDerWaalsContact O-N 3.1Å
626	G	86.8	Confident	87.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.268	C	S	.	.	I	π-helix	trans	-54.6	-48.8	-168.6	0	0	0	0	0	113.8	G390 F391 I621 Y622 K628 N629 T630	G390-G626 WeakPolarHBondContact O-CA 3.28Å; F391-G626 WeakPolarHBondContact O-CA 3.4Å; I621-G626 PolarHBondContact O-N 3.1Å; Y622-G626 CarbonylContact O-C 3.58Å; Y622-G626 VanDerWaalsContact O-CA 3.27Å; Y622-G626 WeakPolarHBondContact O-CA 3.26Å; Y622-G626 PolarHBondContact O-N 3.37Å; G626-K628 PolarHBondContact O-N 3.02Å; G626-N629 PolarHBondContact O-N 3Å; G626-T630 VanDerWaalsContact O-CB 3.29Å; G626-T630 WeakPolarHBondContact O-CB 3.36Å; G626-T630 PolarHBondContact O-N 3.4Å; G626-T630 PolarHBondContact O-OG1 2.62Å
627	I	87.2	Confident	86.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-39.5	-174.8	-164.2	160.1	0	0	0	113.1	Y33 V37 L41 Y622 Y625 N631	Y33-I627 HydrophobicContact CE2-CG2 3.96Å; V37-I627 HydrophobicContact CB-CD1 4.25Å; V37-I627 HydrophobicContact CG2-CD1 3.92Å; L41-I627 HydrophobicContact CD1-CD1 3.8Å; Y622-I627 HydrophobicContact CE1-CB 4.44Å; Y622-I627 HydrophobicContact CE1-CD1 4.44Å; Y622-I627 PolarHBondContact O-N 3.05Å; Y625-I627 PolarHBondContact O-N 2.87Å; I627-N631 WeakPolarHBondContact O-CB 3.48Å; I627-N631 PolarHBondContact O-N 3.43Å
628	K	85.7	Confident	85.4	Confident	142 Å²	142	55.7 Å²	55.7	62%	0.617	27%	0.273	S	S	*	.	H	α-helix	trans	-70.5	-44.6	178.3	-176.9	176.6	-178.6	173.4	0	111	Y625 G626 N631 R632	Y625-K628 PolarHBondContact O-N 2.64Å; G626-K628 PolarHBondContact O-N 3.02Å; K628-N631 WeakPolarHBondContact O-CB 3.26Å; K628-N631 PolarHBondContact O-N 2.85Å; K628-R632 PolarHBondContact O-N 3.38Å; K628-R632 VanDerWaalsContact O-N 3.12Å
629	N	85.2	Confident	84.2	Confident	15 Å²	15	59.7 Å²	59.7	8%	0.08	30%	0.297	C	S	.	.	H	α-helix	trans	-72	-39.1	-176.3	-175.1	56.2	0	0	0	112.1	G390 Y625 G626 N631 R632 I633	G390-N629 WeakPolarHBondContact CA-ND2 3.42Å; G390-N629 PolarHBondContact O-ND2 3.05Å; Y625-N629 HydrophobicContact CD1-CB 4.32Å; Y625-N629 HydrophobicContact CE1-CB 3.81Å; Y625-N629 PolarHBondContact O-N 3.45Å; Y625-N629 VanDerWaalsContact O-N 3.1Å; G626-N629 PolarHBondContact O-N 3Å; N629-N631 PolarHBondContact O-N 2.9Å; N629-R632 PolarHBondContact O-N 3.19Å; N629-R632 PolarHBondContact OD1-NE 2.83Å; N629-R632 PolarHBondContact OD1-NH2 2.94Å; N629-I633 WeakPolarHBondContact O-CG1 3.45Å; N629-I633 PolarHBondContact O-N 2.97Å
630	T	85.6	Confident	82.9	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-34.8	173.6	-49.6	0	0	0	0	110.7	R43 Y129 E134 G626 I633 S634	R43-T630 PolarHBondContact NH2-O 3.31Å; Y129-T630 WeakPolarHBondContact OH-CG2 3.32Å; E134-T630 HydrophobicContact CG-CG2 4.21Å; E134-T630 WeakPolarHBondContact OE1-CB 3.36Å; E134-T630 VanDerWaalsContact OE2-CG2 3.29Å; E134-T630 WeakPolarHBondContact OE2-CG2 3.32Å; G626-T630 VanDerWaalsContact O-CB 3.29Å; G626-T630 WeakPolarHBondContact O-CB 3.36Å; G626-T630 PolarHBondContact O-N 3.4Å; G626-T630 PolarHBondContact O-OG1 2.62Å; T630-I633 PolarHBondContact O-N 3.28Å; T630-S634 PolarHBondContact O-N 3.13Å
631	N	82.6	Confident	81.2	Confident	35 Å²	35	59 Å²	59	19%	0.187	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-48	174.4	-165.1	57.8	0	0	0	113	R43 I627 K628 N629 I633 S634 E635	R43-N631 VanDerWaalsContact NH1-CA 3.26Å; R43-N631 PolarHBondContact NH1-OD1 3.07Å; R43-N631 VanDerWaalsContact NH2-CA 3.29Å; I627-N631 WeakPolarHBondContact O-CB 3.48Å; I627-N631 PolarHBondContact O-N 3.43Å; K628-N631 WeakPolarHBondContact O-CB 3.26Å; K628-N631 PolarHBondContact O-N 2.85Å; N629-N631 PolarHBondContact O-N 2.9Å; N631-I633 VanDerWaalsContact C-N 3.34Å; N631-I633 PolarHBondContact O-N 3.34Å; N631-S634 WeakPolarHBondContact O-CB 3.48Å; N631-S634 PolarHBondContact O-N 3.11Å; N631-E635 PolarHBondContact ND2-OE1 3.01Å; N631-E635 WeakPolarHBondContact O-CG 3.38Å; N631-E635 PolarHBondContact O-N 2.88Å
632	R	80.5	Confident	79.8	Confident	108 Å²	108	61 Å²	61	41%	0.408	31%	0.313	S	S	.	.	H	α-helix	trans	-57.6	-44.9	174.7	-174.4	-173.3	63.2	76.9	9.6	112.4	K628 N629 S634 E635 E636	K628-R632 PolarHBondContact O-N 3.38Å; K628-R632 VanDerWaalsContact O-N 3.12Å; N629-R632 PolarHBondContact O-N 3.19Å; N629-R632 PolarHBondContact OD1-NE 2.83Å; N629-R632 PolarHBondContact OD1-NH2 2.94Å; R632-S634 VanDerWaalsContact C-N 3.32Å; R632-S634 PolarHBondContact O-N 3.46Å; R632-E635 PolarHBondContact O-N 2.79Å; R632-E636 WeakPolarHBondContact CG-OE1 3.36Å; R632-E636 IonicContact CZ-OE1 3.1Å; R632-E636 IonicContact CZ-OE2 3.81Å; R632-E636 IonicContact NH1-OE1 2.72Å; R632-E636 PolarHBondContact NH1-OE1 3.5Å; R632-E636 IonicContact NH1-OE2 2.84Å; R632-E636 PolarHBondContact NH1-OE2 3.27Å; R632-E636 WeakPolarHBondContact O-CB 3.42Å; R632-E636 WeakPolarHBondContact O-CG 3.49Å; R632-E636 PolarHBondContact O-N 3.47Å
633	I	80.6	Confident	78.4	Confident	35 Å²	35	63.9 Å²	63.9	18%	0.179	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-37.3	179.5	-67.1	166.7	0	0	0	111.3	N629 T630 N631 N637	N629-I633 WeakPolarHBondContact O-CG1 3.45Å; N629-I633 PolarHBondContact O-N 2.97Å; T630-I633 PolarHBondContact O-N 3.28Å; N631-I633 VanDerWaalsContact C-N 3.34Å; N631-I633 PolarHBondContact O-N 3.34Å; I633-N637 VanDerWaalsContact O-CG 3.29Å; I633-N637 PolarHBondContact O-N 2.93Å; I633-N637 PolarHBondContact O-ND2 3.45Å; I633-N637 VanDerWaalsContact O-ND2 3.1Å
634	S	77.2	Confident	76.9	Confident	25 Å²	25	64.3 Å²	64.3	18%	0.175	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-48	176.2	-164.1	0	0	0	0	111.5	R43 T630 N631 R632 E636 N637 E638	R43-S634 WeakPolarHBondContact CD-OG 3.48Å; T630-S634 PolarHBondContact O-N 3.13Å; N631-S634 WeakPolarHBondContact O-CB 3.48Å; N631-S634 PolarHBondContact O-N 3.11Å; R632-S634 VanDerWaalsContact C-N 3.32Å; R632-S634 PolarHBondContact O-N 3.46Å; S634-E636 VanDerWaalsContact C-N 3.34Å; S634-E636 PolarHBondContact O-N 2.84Å; S634-N637 PolarHBondContact O-N 3.1Å; S634-E638 PolarHBondContact O-N 2.84Å
635	E	78.4	Confident	75.4	Confident	103 Å²	103	63 Å²	63	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-42.6	177.4	-70.5	171.3	-174	0	0	111.3	N631 R632 N637 E638 T639	N631-E635 PolarHBondContact ND2-OE1 3.01Å; N631-E635 WeakPolarHBondContact O-CG 3.38Å; N631-E635 PolarHBondContact O-N 2.88Å; R632-E635 PolarHBondContact O-N 2.79Å; E635-N637 PolarHBondContact O-N 3.14Å; E635-E638 PolarHBondContact O-N 3.22Å; E635-T639 WeakPolarHBondContact O-CG2 3.33Å; E635-T639 PolarHBondContact O-N 3.14Å; E635-T639 PolarHBondContact O-OG1 3.49Å; E635-T639 VanDerWaalsContact O-OG1 3.11Å
636	E	76.9	Confident	73.8	Confident	87 Å²	87	65 Å²	65	41%	0.407	34%	0.343	S	S	.	.	H	α-helix	trans	-60.3	-43.1	174.6	-77.1	171.3	-175.7	0	0	112	R632 S634 T639 V640	R632-E636 WeakPolarHBondContact CG-OE1 3.36Å; R632-E636 IonicContact CZ-OE1 3.1Å; R632-E636 IonicContact CZ-OE2 3.81Å; R632-E636 IonicContact NH1-OE1 2.72Å; R632-E636 PolarHBondContact NH1-OE1 3.5Å; R632-E636 IonicContact NH1-OE2 2.84Å; R632-E636 PolarHBondContact NH1-OE2 3.27Å; R632-E636 WeakPolarHBondContact O-CB 3.42Å; R632-E636 WeakPolarHBondContact O-CG 3.49Å; R632-E636 PolarHBondContact O-N 3.47Å; S634-E636 VanDerWaalsContact C-N 3.34Å; S634-E636 PolarHBondContact O-N 2.84Å; E636-T639 WeakPolarHBondContact CA-OG1 3.2Å; E636-T639 PolarHBondContact O-OG1 3.24Å; E636-V640 VanDerWaalsContact O-CG2 3.27Å; E636-V640 WeakPolarHBondContact O-CG2 3.27Å; E636-V640 PolarHBondContact O-N 2.92Å; E636-V640 VanDerWaalsContact O-N 3.1Å
637	N	72.2	Confident	72.6	Confident	82 Å²	82	67.7 Å²	67.7	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-68.2	-38.2	177.9	-73	-34.7	0	0	0	112.8	I633 S634 E635 V640 I641	I633-N637 VanDerWaalsContact O-CG 3.29Å; I633-N637 PolarHBondContact O-N 2.93Å; I633-N637 PolarHBondContact O-ND2 3.45Å; I633-N637 VanDerWaalsContact O-ND2 3.1Å; S634-N637 PolarHBondContact O-N 3.1Å; E635-N637 PolarHBondContact O-N 3.14Å; N637-V640 PolarHBondContact O-N 3.37Å; N637-I641 WeakPolarHBondContact O-CD1 3.48Å; N637-I641 WeakPolarHBondContact O-CG1 3.43Å; N637-I641 PolarHBondContact O-N 2.95Å
638	E	70.8	Confident	71.2	Confident	124 Å²	124	72.5 Å²	72.5	58%	0.579	39%	0.388	S	S	*	.	H	α-helix	trans	-65.2	-44.7	176.6	-77	175.2	-165.4	0	0	111.7	S634 E635 V640 I641 S642	S634-E638 PolarHBondContact O-N 2.84Å; E635-E638 PolarHBondContact O-N 3.22Å; E638-V640 PolarHBondContact O-N 2.69Å; E638-I641 PolarHBondContact O-N 3.06Å; E638-S642 PolarHBondContact O-N 3.04Å
639	T	71.1	Confident	70	Confident	83 Å²	83	69.8 Å²	69.8	51%	0.509	38%	0.379	S	S	.	.	H	α-helix	trans	-60.4	-43.6	175.2	52.8	0	0	0	0	112.5	E635 E636 I641 S642 S643	E635-T639 WeakPolarHBondContact O-CG2 3.33Å; E635-T639 PolarHBondContact O-N 3.14Å; E635-T639 PolarHBondContact O-OG1 3.49Å; E635-T639 VanDerWaalsContact O-OG1 3.11Å; E636-T639 WeakPolarHBondContact CA-OG1 3.2Å; E636-T639 PolarHBondContact O-OG1 3.24Å; T639-I641 VanDerWaalsContact C-N 3.34Å; T639-I641 PolarHBondContact O-N 2.7Å; T639-S642 WeakPolarHBondContact CA-OG 3.45Å; T639-S642 PolarHBondContact O-N 3.44Å; T639-S642 PolarHBondContact O-OG 2.77Å; T639-S643 PolarHBondContact O-N 2.92Å; T639-S643 PolarHBondContact O-OG 3.35Å
640	V	67.4	Low	68.8	Low	69 Å²	69	74.6 Å²	74.6	42%	0.418	40%	0.401	S	S	.	.	H	α-helix	trans	-64.7	-36.1	175.8	173.1	0	0	0	0	112.2	E636 N637 E638 S643 N644	E636-V640 VanDerWaalsContact O-CG2 3.27Å; E636-V640 WeakPolarHBondContact O-CG2 3.27Å; E636-V640 PolarHBondContact O-N 2.92Å; E636-V640 VanDerWaalsContact O-N 3.1Å; N637-V640 PolarHBondContact O-N 3.37Å; E638-V640 PolarHBondContact O-N 2.69Å; V640-S643 WeakPolarHBondContact CA-OG 3.47Å; V640-S643 PolarHBondContact O-OG 3.47Å; V640-N644 PolarHBondContact O-N 3.42Å; V640-N644 VanDerWaalsContact O-N 3.14Å; V640-N644 PolarHBondContact O-OD1 3Å
641	I	59.6	Low	67.4	Low	71 Å²	71	83 Å²	83	36%	0.364	43%	0.434	S	S	.	.	H	α-helix	trans	-64	-47.2	173.5	-69.7	161	0	0	0	110	N637 E638 T639 S643 N644 C645	N637-I641 WeakPolarHBondContact O-CD1 3.48Å; N637-I641 WeakPolarHBondContact O-CG1 3.43Å; N637-I641 PolarHBondContact O-N 2.95Å; E638-I641 PolarHBondContact O-N 3.06Å; T639-I641 VanDerWaalsContact C-N 3.34Å; T639-I641 PolarHBondContact O-N 2.7Å; I641-S643 VanDerWaalsContact C-N 3.31Å; I641-S643 PolarHBondContact O-N 3.07Å; I641-N644 PolarHBondContact O-N 3.37Å; I641-C645 PolarHBondContact O-N 3.32Å; I641-C645 PolarHBondContact O-SG 3.25Å
642	S	63.2	Low	65.8	Low	74 Å²	74	88 Å²	88	52%	0.517	46%	0.456	S	S	.	.	H	α-helix	trans	-61.7	-37.4	-179.4	71.3	0	0	0	0	112.8	E638 T639 L646	E638-S642 PolarHBondContact O-N 3.04Å; T639-S642 WeakPolarHBondContact CA-OG 3.45Å; T639-S642 PolarHBondContact O-N 3.44Å; T639-S642 PolarHBondContact O-OG 2.77Å; S642-L646 WeakPolarHBondContact O-CB 3.37Å; S642-L646 PolarHBondContact O-N 3.22Å; S642-L646 VanDerWaalsContact O-N 3.07Å
643	S	63	Low	64.8	Low	60 Å²	60	89.4 Å²	89.4	42%	0.42	47%	0.465	S	S	.	.	H	α-helix	trans	-69.5	-41.5	176.4	60.3	0	0	0	0	112.7	T639 V640 I641 L646 S647	T639-S643 PolarHBondContact O-N 2.92Å; T639-S643 PolarHBondContact O-OG 3.35Å; V640-S643 WeakPolarHBondContact CA-OG 3.47Å; V640-S643 PolarHBondContact O-OG 3.47Å; I641-S643 VanDerWaalsContact C-N 3.31Å; I641-S643 PolarHBondContact O-N 3.07Å; S643-L646 PolarHBondContact O-N 2.96Å; S643-S647 PolarHBondContact O-N 2.91Å; S643-S647 PolarHBondContact O-OG 3.22Å
644	N	60.5	Low	63.5	Low	78 Å²	78	94.9 Å²	94.9	42%	0.417	49%	0.488	S	S	.	.	H	α-helix	trans	-67.2	-43.4	178.6	-74.3	14.9	0	0	0	111.5	V640 I641 L646 S647 D648	V640-N644 PolarHBondContact O-N 3.42Å; V640-N644 VanDerWaalsContact O-N 3.14Å; V640-N644 PolarHBondContact O-OD1 3Å; I641-N644 PolarHBondContact O-N 3.37Å; N644-L646 VanDerWaalsContact C-N 3.27Å; N644-L646 PolarHBondContact O-N 3.33Å; N644-S647 WeakPolarHBondContact CA-OG 3.41Å; N644-S647 PolarHBondContact O-N 3.37Å; N644-S647 PolarHBondContact O-OG 2.96Å; N644-D648 PolarHBondContact O-N 2.84Å
645	C	58.2	Low	62	Low	65 Å²	65	96.3 Å²	96.3	44%	0.439	50%	0.498	S	S	.	.	H	α-helix	trans	-61.8	-37.7	174.4	-70.9	0	0	0	0	111.7	I641 D648 I649	I641-C645 PolarHBondContact O-N 3.32Å; I641-C645 PolarHBondContact O-SG 3.25Å; C645-D648 PolarHBondContact O-N 2.81Å; C645-I649 WeakPolarHBondContact O-CB 3.5Å; C645-I649 WeakPolarHBondContact O-CD1 3.36Å; C645-I649 WeakPolarHBondContact O-CG1 3.21Å; C645-I649 PolarHBondContact O-N 2.92Å
646	L	57.5	Low	60.5	Low	108 Å²	108	94.9 Å²	94.9	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-65.6	-40.9	176.1	-160	76.9	0	0	0	111.7	S642 S643 N644 I649 E650	S642-L646 WeakPolarHBondContact O-CB 3.37Å; S642-L646 PolarHBondContact O-N 3.22Å; S642-L646 VanDerWaalsContact O-N 3.07Å; S643-L646 PolarHBondContact O-N 2.96Å; N644-L646 VanDerWaalsContact C-N 3.27Å; N644-L646 PolarHBondContact O-N 3.33Å; L646-I649 PolarHBondContact O-N 2.75Å; L646-E650 PolarHBondContact O-N 2.93Å
647	S	62.2	Low	59.1	Low	56 Å²	56	98.3 Å²	98.3	39%	0.392	51%	0.513	S	S	.	.	H	α-helix	trans	-67	-37.8	175.7	57.3	0	0	0	0	112.9	S643 N644 E650 Y651	S643-S647 PolarHBondContact O-N 2.91Å; S643-S647 PolarHBondContact O-OG 3.22Å; N644-S647 WeakPolarHBondContact CA-OG 3.41Å; N644-S647 PolarHBondContact O-N 3.37Å; N644-S647 PolarHBondContact O-OG 2.96Å; S647-E650 PolarHBondContact O-N 3.45Å; S647-Y651 WeakPolarHBondContact O-CB 3.39Å; S647-Y651 PolarHBondContact O-N 3.5Å
648	D	56.9	Low	57.6	Low	102 Å²	102	97.5 Å²	97.5	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-66.1	-42	177.6	-65.8	-18.9	0	0	0	110.8	N644 C645 Y651 E652	N644-D648 PolarHBondContact O-N 2.84Å; C645-D648 PolarHBondContact O-N 2.81Å; D648-Y651 PolarHBondContact O-N 2.86Å; D648-E652 PolarHBondContact O-N 2.76Å
649	I	60	Low	56	Low	85 Å²	85	97.9 Å²	97.9	44%	0.436	52%	0.52	S	S	.	.	H	α-helix	trans	-65.2	-39.9	174.3	-67.1	164.9	0	0	0	111.3	C645 L646 Y651 K653	C645-I649 WeakPolarHBondContact O-CB 3.5Å; C645-I649 WeakPolarHBondContact O-CD1 3.36Å; C645-I649 WeakPolarHBondContact O-CG1 3.21Å; C645-I649 PolarHBondContact O-N 2.92Å; L646-I649 PolarHBondContact O-N 2.75Å; I649-Y651 VanDerWaalsContact C-N 3.33Å; I649-K653 HydrophobicContact CG2-CD 4.47Å; I649-K653 WeakPolarHBondContact O-CB 3.45Å; I649-K653 WeakPolarHBondContact O-CG 3.48Å; I649-K653 PolarHBondContact O-N 3.33Å
650	E	60.2	Low	54.5	Low	115 Å²	115	99.8 Å²	99.8	54%	0.537	53%	0.532	S	S	.	.	H	α-helix	trans	-66	-35.5	174.2	-84.2	-174	169.5	0	0	112.5	L646 S647 K653 K654	L646-E650 PolarHBondContact O-N 2.93Å; S647-E650 PolarHBondContact O-N 3.45Å; E650-K653 PolarHBondContact O-N 3.35Å; E650-K654 WeakPolarHBondContact O-CG 3.4Å; E650-K654 PolarHBondContact O-N 3.45Å
651	Y	57.4	Low	53.1	Low	179 Å²	179	100.6 Å²	100.6	70%	0.702	54%	0.54	S	S	*	.	H	α-helix	trans	-66.7	-46.9	175.1	-169.9	-91.4	0	0	0	111.5	S647 D648 I649 K653 K654 S655	S647-Y651 WeakPolarHBondContact O-CB 3.39Å; S647-Y651 PolarHBondContact O-N 3.5Å; D648-Y651 PolarHBondContact O-N 2.86Å; I649-Y651 VanDerWaalsContact C-N 3.33Å; Y651-K653 VanDerWaalsContact C-N 3.32Å; Y651-K653 PolarHBondContact O-N 3.46Å; Y651-K654 PolarHBondContact O-N 3.39Å; Y651-K654 VanDerWaalsContact O-N 3.09Å; Y651-S655 PolarHBondContact O-N 3.46Å
652	E	49	Very low	51.9	Low	140 Å²	140	103.7 Å²	103.7	65%	0.654	56%	0.562	S	S	*	*	H	α-helix	trans	-59.4	-40	173.2	-83.5	-170.6	158.9	0	0	112.3	D648 K654 S655 S656	D648-E652 PolarHBondContact O-N 2.76Å; E652-K654 VanDerWaalsContact C-N 3.32Å; E652-K654 PolarHBondContact O-N 3Å; E652-S655 PolarHBondContact O-N 2.88Å; E652-S656 WeakPolarHBondContact O-CB 3.41Å; E652-S656 PolarHBondContact O-N 3.09Å; E652-S656 PolarHBondContact O-OG 3.01Å
653	K	58.3	Low	50.4	Low	136 Å²	136	107.8 Å²	107.8	59%	0.591	58%	0.578	S	S	*	*	H	α-helix	trans	-65.3	-32.1	174.4	-80.1	-179.3	-178.7	175.7	0	113.3	I649 E650 Y651 S656 K657	I649-K653 HydrophobicContact CG2-CD 4.47Å; I649-K653 WeakPolarHBondContact O-CB 3.45Å; I649-K653 WeakPolarHBondContact O-CG 3.48Å; I649-K653 PolarHBondContact O-N 3.33Å; E650-K653 PolarHBondContact O-N 3.35Å; Y651-K653 VanDerWaalsContact C-N 3.32Å; Y651-K653 PolarHBondContact O-N 3.46Å; K653-S656 WeakPolarHBondContact CA-OG 3.34Å; K653-S656 PolarHBondContact O-OG 3.46Å; K653-S656 VanDerWaalsContact O-OG 3.13Å; K653-K657 WeakPolarHBondContact O-CG 3.4Å; K653-K657 PolarHBondContact O-N 2.93Å
654	K	53	Low	48.7	Very low	150 Å²	150	113.2 Å²	113.2	65%	0.652	60%	0.597	S	S	*	*	H	α-helix	trans	-76	-42.2	175	-78.1	178.4	-180	173.9	0	111.8	E650 Y651 E652 K657 S658	E650-K654 WeakPolarHBondContact O-CG 3.4Å; E650-K654 PolarHBondContact O-N 3.45Å; Y651-K654 PolarHBondContact O-N 3.39Å; Y651-K654 VanDerWaalsContact O-N 3.09Å; E652-K654 VanDerWaalsContact C-N 3.32Å; E652-K654 PolarHBondContact O-N 3Å; K654-K657 PolarHBondContact O-N 2.76Å; K654-S658 PolarHBondContact O-N 3.23Å
655	S	47.3	Very low	47.2	Very low	55 Å²	55	114.5 Å²	114.5	39%	0.385	61%	0.613	S	S	.	*	H	α-helix	trans	-62.8	-40.7	176	174.9	0	0	0	0	112.3	Y651 E652 K657 S658 N659	Y651-S655 PolarHBondContact O-N 3.46Å; E652-S655 PolarHBondContact O-N 2.88Å; S655-K657 VanDerWaalsContact C-N 3.34Å; S655-K657 PolarHBondContact O-N 3.19Å; S655-S658 PolarHBondContact O-N 3.13Å; S655-S658 PolarHBondContact O-OG 3.34Å; S655-N659 PolarHBondContact O-N 3.04Å
656	S	46.9	Very low	45.9	Very low	74 Å²	74	119.5 Å²	119.5	52%	0.517	63%	0.633	S	S	.	*	H	α-helix	trans	-67.9	-29.9	175.2	50	0	0	0	0	113.5	E652 K653	E652-S656 WeakPolarHBondContact O-CB 3.41Å; E652-S656 PolarHBondContact O-N 3.09Å; E652-S656 PolarHBondContact O-OG 3.01Å; K653-S656 WeakPolarHBondContact CA-OG 3.34Å; K653-S656 PolarHBondContact O-OG 3.46Å; K653-S656 VanDerWaalsContact O-OG 3.13Å
657	K	47.6	Very low	44.4	Very low	158 Å²	158	122.6 Å²	122.6	69%	0.687	65%	0.645	S	S	*	*	H	α-helix	trans	-78.1	-36.5	173.9	-78.2	-179.7	178.1	-177.8	0	113.2	K653 K654 S655 N659 T660	K653-K657 WeakPolarHBondContact O-CG 3.4Å; K653-K657 PolarHBondContact O-N 2.93Å; K654-K657 PolarHBondContact O-N 2.76Å; S655-K657 VanDerWaalsContact C-N 3.34Å; S655-K657 PolarHBondContact O-N 3.19Å; K657-N659 PolarHBondContact O-N 3.06Å; K657-T660 PolarHBondContact O-N 3.36Å; K657-T660 PolarHBondContact O-OG1 3.3Å
658	S	39.2	Very low	42.7	Very low	66 Å²	66	129.9 Å²	129.9	46%	0.462	67%	0.669	S	S	.	*	H	α-helix	trans	-67.6	-25.2	178.2	63.7	0	0	0	0	112.9	K654 S655 T660 S661	K654-S658 PolarHBondContact O-N 3.23Å; S655-S658 PolarHBondContact O-N 3.13Å; S655-S658 PolarHBondContact O-OG 3.34Å; S658-T660 PolarHBondContact O-N 3.33Å; S658-S661 PolarHBondContact O-N 3.36Å
659	N	37	Very low	41.3	Very low	132 Å²	132	131.2 Å²	131.2	71%	0.706	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	5.7	174.2	-71.9	-6.4	0	0	0	114.2	S655 K657	S655-N659 PolarHBondContact O-N 3.04Å; K657-N659 PolarHBondContact O-N 3.06Å
660	T	40.7	Very low	39.7	Very low	123 Å²	123	133 Å²	133	76%	0.755	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	6.3	174.9	56.5	0	0	0	0	114.9	K657 S658	K657-T660 PolarHBondContact O-N 3.36Å; K657-T660 PolarHBondContact O-OG1 3.3Å; S658-T660 PolarHBondContact O-N 3.33Å
661	S	38.2	Very low	38.4	Very low	86 Å²	86	133.8 Å²	133.8	60%	0.601	71%	0.707	S	S	*	*	S	Bend	trans	-127.1	108.2	171.4	55.8	0	0	0	0	110.4	S658 D663	S658-S661 PolarHBondContact O-N 3.36Å; S661-D663 PolarHBondContact O-N 3.3Å
662	T	33.5	Very low	36.9	Very low	135 Å²	135	132.1 Å²	132.1	83%	0.828	71%	0.708	S	S	*	*			trans	-57.2	109.5	163.5	46.4	0	0	0	0	109
663	D	31.1	Very low	35.8	Very low	160 Å²	160	136.4 Å²	136.4	86%	0.856	72%	0.719	S	S	*	*			trans	-172.7	148.8	143.3	-93.4	-18.6	0	0	0	111.1	S661	S661-D663 PolarHBondContact O-N 3.3Å
664	E	29.1	Very low	34.5	Very low	175 Å²	175	143.6 Å²	143.6	82%	0.818	75%	0.75	S	S	*	*			trans	-71.8	149.2	-159.5	-62.6	171.6	141.3	0	0	115.2
665	S	28	Very low	33.6	Very low	105 Å²	105	143.3 Å²	143.3	73%	0.734	76%	0.755	S	S	*	*			trans	65.1	125	158.6	70.1	0	0	0	0	118.2
666	I	30.1	Very low	32.9	Very low	169 Å²	169	147.9 Å²	147.9	87%	0.867	78%	0.775	S	S	*	*				-176.2	138.3	129.4	-87.1	148	0	0	0	110.1
667	E	25.9	Very low	32.1	Very low	174 Å²	174	152 Å²	152	81%	0.813	79%	0.789	S	S	*	*			trans	-39.2	145.1	179.1	-99.1	162.7	148.7	0	0	118.9	V669	E667-V669 PolarHBondContact O-N 3.19Å
668	F	27.7	Very low	31.2	Very low	208 Å²	208	151.6 Å²	151.6	91%	0.912	80%	0.795	S	S	*	*			trans	-57.8	117.2	164.2	-89.8	-99	0	0	0	110.7
669	V	27.2	Very low	30.7	Very low	131 Å²	131	157 Å²	157	79%	0.794	82%	0.816	S	S	*	*			trans	-107.2	113	163.6	-179.5	0	0	0	0	108.4	E667	E667-V669 PolarHBondContact O-N 3.19Å
670	D	26.8	Very low	30.2	Very low	123 Å²	123	158.7 Å²	158.7	66%	0.658	82%	0.823	S	S	*	*			trans	-54.2	131.1	176.4	-78.7	-34.4	0	0	0	112.8	I672	D670-I672 VanDerWaalsContact C-N 3.34Å; D670-I672 HydrophobicContact CB-CG1 4.4Å; D670-I672 PolarHBondContact O-N 3.35Å
671	P	32.1	Very low	29.5	Very low	131 Å²	131	161.2 Å²	161.2	85%	0.851	83%	0.828	S	S	*	*			trans	-88.6	74.6	164.1	34.4	-28.3	0	0	0	109.3
672	I	27	Very low	28.8	Very low	143 Å²	143	167 Å²	167	73%	0.733	85%	0.845	S	S	*	*			trans	-97.9	99.5	160.7	-59.9	171.7	0	0	0	107.7	D670	D670-I672 VanDerWaalsContact C-N 3.34Å; D670-I672 HydrophobicContact CB-CG1 4.4Å; D670-I672 PolarHBondContact O-N 3.35Å
673	R	25	Very low	28.4	Very low	231 Å²	231	169.7 Å²	169.7	87%	0.872	85%	0.847	S	S	*	*			trans	-175.5	97.8	150.9	-104.3	169.5	-163.6	-164.2	6.5	109.3
674	F	31.4	Very low	28.2	Very low	286 Å²	286	170.5 Å²	170.5	100%	1.254	85%	0.846	S	S	*	*				-169.1	0	118.7	-105.6	-71.7	0	0	0	110.8

Retrieved 674 of 674 residues in 1254.3 ms (Link to these results)

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