X5M8Y9_CAEEL Loading...

Nuclear pore protein

AlphaFold DB , UniProt , Accession X5M8Y9, Species CAEEL (Caenorhabditis elegans), Gene npp-13, Length 655 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	42.5	Very low	32.1	Very low	192 Å²	192	97.6 Å²	97.6	95%	0.946	58%	0.582	S	S	*	*				0	70.5	0	-95.4	-168.8	-166.2	0	0	109.2	S4	M1-S4 WeakPolarHBondContact CB-OG 3.44Å; M1-S4 PolarHBondContact O-OG 2.88Å
2	L	30	Very low	32	Very low	68 Å²	68	99.1 Å²	99.1	36%	0.356	59%	0.585	S	S	.	*			trans	-83.1	-17.5	-175.4	-81.7	155.6	0	0	0	113.3	S349 R370	L2-S349 VanDerWaalsContact CD1-O 3.31Å; L2-S349 WeakPolarHBondContact CD1-O 3.32Å; L2-R370 HydrophobicContact CD1-CB 4Å; L2-R370 HydrophobicContact CD1-CG 3.76Å; L2-R370 HydrophobicContact CD2-CG 3.94Å
3	L	37	Very low	32.2	Very low	26 Å²	26	99.9 Å²	99.9	14%	0.136	60%	0.595	C	S	.	*	S	Bend	trans	-135.1	18.2	-176.9	-64.1	172.9	0	0	0	112.6	R5 V373 V405 M408	L3-R5 PolarHBondContact O-N 3.08Å; L3-V373 HydrophobicContact CD2-CG1 4.09Å; L3-V373 HydrophobicContact CD2-CG2 4.5Å; L3-V405 HydrophobicContact CD1-CG1 4.19Å; L3-M408 HydrophobicContact CD1-CB 3.81Å
4	S	35.5	Very low	32.3	Very low	62 Å²	62	99 Å²	99	43%	0.434	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-65.5	122.9	172.9	45.8	0	0	0	0	109	M1 P6	M1-S4 WeakPolarHBondContact CB-OG 3.44Å; M1-S4 PolarHBondContact O-OG 2.88Å; S4-P6 WeakPolarHBondContact O-CD 3.36Å
5	R	33.7	Very low	32.5	Very low	66 Å²	66	104.1 Å²	104.1	25%	0.249	62%	0.618	C	S	.	*	P	Polyproline II helix	trans	-52.9	117.4	174.7	-71.7	-178	170.4	-166	-9.8	109	L3 S411 D455	L3-R5 PolarHBondContact O-N 3.08Å; R5-S411 PolarHBondContact NH2-OG 3.32Å; R5-D455 VanDerWaalsContact CZ-CB 3.49Å; R5-D455 PolarHBondContact NH1-O 3.36Å; R5-D455 IonicContact NH2-OD2 3.1Å
6	P	27.8	Very low	32.7	Very low	83 Å²	83	101.8 Å²	101.8	54%	0.539	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-66.8	150.6	169.3	26.9	-30.2	0	0	0	109.5	S4 A8	S4-P6 WeakPolarHBondContact O-CD 3.36Å; P6-A8 PolarHBondContact O-N 3.23Å
7	A	30.2	Very low	32.9	Very low	94 Å²	94	104.5 Å²	104.5	78%	0.777	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-57.9	138.1	172.9	0	0	0	0	0	110.1	V9	A7-V9 PolarHBondContact O-N 3.39Å
8	A	27.9	Very low	32.6	Very low	77 Å²	77	108.7 Å²	108.7	64%	0.636	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-53.7	120.1	-173.6	0	0	0	0	0	111.9	P6	P6-A8 PolarHBondContact O-N 3.23Å
9	V	27.9	Very low	32.6	Very low	122 Å²	122	116.2 Å²	116.2	74%	0.739	65%	0.65	S	S	*	*			trans	-108.3	112.5	157.4	-179.5	0	0	0	0	105.4	A7 M11	A7-V9 PolarHBondContact O-N 3.39Å; V9-M11 PolarHBondContact O-N 3.42Å
10	P	30.7	Very low	32.6	Very low	124 Å²	124	118.1 Å²	118.1	81%	0.805	66%	0.658	S	S	*	*			trans	-64.5	106.8	177.8	23.1	-29.3	0	0	0	108.9
11	M	30.2	Very low	32.7	Very low	160 Å²	160	116.7 Å²	116.7	79%	0.788	65%	0.65	S	S	*	*			trans	-79.9	134.3	165.6	-82	-149.8	-116.9	0	0	109.2	V9 P13	V9-M11 PolarHBondContact O-N 3.42Å; M11-P13 WeakPolarHBondContact O-CD 3.4Å
12	N	30.1	Very low	32.1	Very low	115 Å²	115	115.2 Å²	115.2	62%	0.615	65%	0.645	S	S	*	*			trans	-68	122	-179.2	-166.3	-6.3	0	0	0	109.7	A14 Q15	N12-A14 PolarHBondContact O-N 3.11Å; N12-Q15 PolarHBondContact O-N 3.44Å
13	P	34.4	Very low	32.4	Very low	110 Å²	110	117.2 Å²	117.2	71%	0.714	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-58.3	-18.2	-177	-24.3	32.6	0	0	0	114.5	M11 Q15 A16	M11-P13 WeakPolarHBondContact O-CD 3.4Å; P13-Q15 VanDerWaalsContact C-N 3.25Å; P13-Q15 PolarHBondContact O-N 2.81Å; P13-A16 PolarHBondContact O-N 3.26Å
14	A	34.1	Very low	32.2	Very low	87 Å²	87	125.9 Å²	125.9	72%	0.719	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-73.2	-7.9	-178.1	0	0	0	0	0	115.1	N12	N12-A14 PolarHBondContact O-N 3.11Å
15	Q	35.5	Very low	32	Very low	176 Å²	176	126.9 Å²	126.9	82%	0.822	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-98.3	-3.5	174.6	-71.8	-177.6	-20.1	0	0	113.4	N12 P13	N12-Q15 PolarHBondContact O-N 3.44Å; P13-Q15 VanDerWaalsContact C-N 3.25Å; P13-Q15 PolarHBondContact O-N 2.81Å
16	A	36.1	Very low	31.8	Very low	67 Å²	67	127 Å²	127	55%	0.554	74%	0.74	S	S	*	*	S	Bend	trans	-108.4	109.1	170.9	0	0	0	0	0	108.9	P13	P13-A16 PolarHBondContact O-N 3.26Å
17	M	35.2	Very low	32.2	Very low	148 Å²	148	127 Å²	127	73%	0.729	76%	0.756	S	S	*	*			trans	88.2	103.5	163.3	-48.7	170.9	69.9	0	0	117.2
18	E	27.9	Very low	32.5	Very low	180 Å²	180	131.2 Å²	131.2	84%	0.841	76%	0.757	S	S	*	*			trans	-69.3	143.6	143.2	-80.9	-175.9	159.8	0	0	109.6	D20	E18-D20 VanDerWaalsContact C-N 3.31Å; E18-D20 PolarHBondContact O-N 2.89Å
19	R	33.3	Very low	33.1	Very low	250 Å²	250	134.4 Å²	134.4	94%	0.943	76%	0.757	S	S	*	*	S	Bend	trans	-77.2	23.2	-156.9	-108.3	-178.6	-178.9	-179.6	0.3	117.4
20	D	31.1	Very low	33.8	Very low	154 Å²	154	133.1 Å²	133.1	82%	0.824	75%	0.749	S	S	*	*			trans	-108.3	25.7	-168.5	-84.4	0.1	0	0	0	116.1	E18	E18-D20 VanDerWaalsContact C-N 3.31Å; E18-D20 PolarHBondContact O-N 2.89Å
21	N	35.3	Very low	34.5	Very low	90 Å²	90	129 Å²	129	48%	0.481	72%	0.72	S	S	.	*			trans	-123.6	62	-172.7	-67.8	-45.4	0	0	0	115.2
22	L	29.5	Very low	35	Very low	161 Å²	161	130.3 Å²	130.3	84%	0.843	72%	0.721	S	S	*	*			trans	-142.2	156.2	161.5	-82.2	176.5	0	0	0	110.8
23	P	36.5	Very low	35.7	Very low	109 Å²	109	130.9 Å²	130.9	71%	0.708	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-90.4	151.5	-130.9	34.6	-36.7	0	0	0	115.4
24	F	32.8	Very low	36.6	Very low	208 Å²	208	126.7 Å²	126.7	91%	0.912	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-95.7	126.7	148.1	-70.3	-75.9	0	0	0	107.9
25	G	30.8	Very low	37.8	Very low	83 Å²	83	128.6 Å²	128.6	86%	0.856	70%	0.704	S	S	*	*	S	Bend	trans	-47.1	147.1	-165.8	0	0	0	0	0	116.1
26	G	30.6	Very low	39.9	Very low	68 Å²	68	123.5 Å²	123.5	70%	0.701	68%	0.682	S	S	*	*	S	Bend	trans	125.2	46.7	174.1	0	0	0	0	0	115.4	K28	G26-K28 VanDerWaalsContact C-N 3.28Å; G26-K28 PolarHBondContact O-N 2.99Å
27	G	36.6	Very low	42.2	Very low	85 Å²	85	128.2 Å²	128.2	88%	0.876	69%	0.686	S	S	*	*	S	Bend	trans	52.2	27.8	151.4	0	0	0	0	0	119
28	K	35	Very low	44.9	Very low	182 Å²	182	122.8 Å²	122.8	79%	0.791	66%	0.657	S	S	*	*			trans	-121	107.9	169.9	-75.7	-170.7	176.1	-172.8	0	109.4	G26 V30	G26-K28 VanDerWaalsContact C-N 3.28Å; G26-K28 PolarHBondContact O-N 2.99Å; K28-V30 PolarHBondContact O-N 3.37Å
29	F	42.3	Very low	47.9	Very low	144 Å²	144	115 Å²	115	63%	0.632	62%	0.621	S	S	*	*			trans	-81.2	106.5	164.5	-80.9	-90.7	0	0	0	108	P385	F29-P385 HydrophobicContact CE1-CG 4.33Å
30	V	42	Very low	50.7	Low	95 Å²	95	105 Å²	105	58%	0.576	59%	0.586	S	S	*	*			trans	-124.5	97.2	167.5	-177	0	0	0	0	107	K28 L40	K28-V30 PolarHBondContact O-N 3.37Å; V30-L40 HydrophobicContact CG1-CD1 4.31Å
31	N	44.7	Very low	53.7	Low	37 Å²	37	98.3 Å²	98.3	20%	0.198	55%	0.55	C	S	.	*			trans	-76.1	122.6	169.8	-167	-23.9	0	0	0	108.7	N33 I34 V382	N31-N33 PolarHBondContact O-N 2.99Å; N31-N33 VanDerWaalsContact O-N 3.11Å; N31-N33 PolarHBondContact OD1-N 3.3Å; N31-I34 PolarHBondContact O-N 2.74Å; N31-V382 WeakPolarHBondContact ND2-CG1 3.25Å; N31-V382 PolarHBondContact ND2-O 3.44Å
32	K	42.1	Very low	56.6	Low	187 Å²	187	94 Å²	94	81%	0.813	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-8.8	-177.2	-69.8	178.1	179.4	171.4	0	114.1
33	N	44.3	Very low	59.7	Low	128 Å²	128	86.5 Å²	86.5	68%	0.684	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-3.4	-179.7	-70.8	-16.1	0	0	0	114.2	N31 V382	N31-N33 PolarHBondContact O-N 2.99Å; N31-N33 VanDerWaalsContact O-N 3.11Å; N31-N33 PolarHBondContact OD1-N 3.3Å; N33-V382 HydrophobicContact CB-CG1 4.13Å
34	I	53.2	Low	62.5	Low	22 Å²	22	84 Å²	84	11%	0.113	47%	0.469	C	S	.	.			trans	-98	106.4	174.2	-59.3	-179.7	0	0	0	107.7	N31 D36 E39 L40 F379 D383	N31-I34 PolarHBondContact O-N 2.74Å; I34-D36 VanDerWaalsContact C-N 3.35Å; I34-E39 HydrophobicContact CG2-CG 4.44Å; I34-E39 WeakPolarHBondContact CG2-OE1 3.35Å; I34-L40 HydrophobicContact CB-CD2 4.14Å; I34-L40 HydrophobicContact CG2-CD2 3.93Å; I34-L40 HydrophobicContact CG2-CG 4.3Å; I34-F379 HydrophobicContact CD1-CB 4.09Å; I34-D383 HydrophobicContact CD1-CB 3.85Å
35	S	58.3	Low	65.5	Low	127 Å²	127	74.5 Å²	74.5	89%	0.888	43%	0.427	S	S	*	.			trans	-79.4	-15	-173.9	53	0	0	0	0	114	R37	S35-R37 PolarHBondContact O-N 3.41Å
36	D	79.6	Confident	68.6	Low	69 Å²	69	70.5 Å²	70.5	37%	0.369	39%	0.386	S	S	.	.			trans	-93.5	102.7	-177.1	-168.5	-10.5	0	0	0	111.9	I34 R38 E39 L40	I34-D36 VanDerWaalsContact C-N 3.35Å; D36-R38 PolarHBondContact O-N 2.93Å; D36-R38 VanDerWaalsContact OD1-CB 3.22Å; D36-R38 WeakPolarHBondContact OD1-CB 3.37Å; D36-R38 PolarHBondContact OD1-N 3.29Å; D36-E39 HydrophobicContact CB-CB 4.02Å; D36-E39 WeakPolarHBondContact O-CB 3.41Å; D36-E39 PolarHBondContact O-N 2.96Å; D36-L40 PolarHBondContact O-N 3.03Å
37	R	86	Confident	71.6	Confident	165 Å²	165	69.6 Å²	69.6	62%	0.623	36%	0.364	S	S	*	.	H	α-helix	trans	-56.3	-34.1	175.3	-179.5	179.6	172.5	-149.7	-8	112.2	S35 L40 I41 E68	S35-R37 PolarHBondContact O-N 3.41Å; R37-L40 PolarHBondContact O-N 2.94Å; R37-I41 HydrophobicContact CG-CD1 3.89Å; R37-I41 VanDerWaalsContact O-CG1 3.31Å; R37-I41 WeakPolarHBondContact O-CG1 3.39Å; R37-I41 PolarHBondContact O-N 2.92Å; R37-I41 VanDerWaalsContact O-N 3.15Å; R37-E68 PolarHBondContact NH2-O 3.41Å; R37-E68 VanDerWaalsContact NH2-O 3.12Å
38	R	90.6	Very high	74.3	Confident	34 Å²	34	69.3 Å²	69.3	13%	0.128	34%	0.338	C	S	.	.	H	α-helix	trans	-66.2	-46.4	-179.2	-169.1	-179.5	-171.6	66.6	6.2	110.4	D36 L40 I41 F42 S69 T71 V328 D329	D36-R38 PolarHBondContact O-N 2.93Å; D36-R38 VanDerWaalsContact OD1-CB 3.22Å; D36-R38 WeakPolarHBondContact OD1-CB 3.37Å; D36-R38 PolarHBondContact OD1-N 3.29Å; R38-L40 VanDerWaalsContact C-N 3.3Å; R38-L40 PolarHBondContact O-N 3.46Å; R38-I41 PolarHBondContact O-N 3.21Å; R38-F42 HydrophobicContact CG-CD2 3.84Å; R38-F42 HydrophobicContact CG-CE2 3.9Å; R38-F42 WeakPolarHBondContact O-CD2 3.45Å; R38-F42 PolarHBondContact O-N 3.25Å; R38-S69 PolarHBondContact NH1-OG 3.39Å; R38-T71 PolarHBondContact NH1-OG1 3.25Å; R38-T71 PolarHBondContact NH2-OG1 3.02Å; R38-T71 VanDerWaalsContact NH2-OG1 3.08Å; R38-V328 HydrophobicContact CG-CG1 4.11Å; R38-D329 IonicContact CZ-OD1 3.97Å; R38-D329 VanDerWaalsContact CZ-OD1 3.29Å; R38-D329 IonicContact CZ-OD2 3.93Å; R38-D329 IonicContact NE-OD1 3.65Å; R38-D329 PolarHBondContact NE-OD1 3.11Å; R38-D329 VanDerWaalsContact NE-OD1 3.1Å; R38-D329 IonicContact NE-OD2 3.68Å; R38-D329 PolarHBondContact NE-OD2 2.63Å; R38-D329 VanDerWaalsContact NE-OD2 3.13Å; R38-D329 IonicContact NH2-OD1 3.2Å; R38-D329 PolarHBondContact NH2-OD1 2.88Å
39	E	91.2	Very high	77.1	Confident	17 Å²	17	62 Å²	62	8%	0.079	31%	0.307	C	S	.	.	H	α-helix	trans	-56.7	-43.2	175.6	170	161.5	115.2	0	0	112.1	I34 D36 G43 V328 Y375 F379 R386	I34-E39 HydrophobicContact CG2-CG 4.44Å; I34-E39 WeakPolarHBondContact CG2-OE1 3.35Å; D36-E39 HydrophobicContact CB-CB 4.02Å; D36-E39 WeakPolarHBondContact O-CB 3.41Å; D36-E39 PolarHBondContact O-N 2.96Å; E39-G43 PolarHBondContact O-N 3.45Å; E39-V328 HydrophobicContact CB-CG2 4.07Å; E39-Y375 VanDerWaalsContact CG-OH 3.24Å; E39-Y375 WeakPolarHBondContact CG-OH 3.33Å; E39-Y375 WeakPolarHBondContact OE2-CE2 3.37Å; E39-Y375 PolarHBondContact OE2-OH 3.35Å; E39-F379 VanDerWaalsContact OE1-CD1 3.29Å; E39-F379 WeakPolarHBondContact OE1-CD1 3.25Å; E39-R386 IonicContact OE1-NH1 2.64Å
40	L	91.5	Very high	79.5	Confident	41 Å²	41	56.4 Å²	56.4	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-46.3	176.7	-63.4	179.7	0	0	0	112.4	V30 I34 D36 R37 R38 D44	V30-L40 HydrophobicContact CG1-CD1 4.31Å; I34-L40 HydrophobicContact CB-CD2 4.14Å; I34-L40 HydrophobicContact CG2-CD2 3.93Å; I34-L40 HydrophobicContact CG2-CG 4.3Å; D36-L40 PolarHBondContact O-N 3.03Å; R37-L40 PolarHBondContact O-N 2.94Å; R38-L40 VanDerWaalsContact C-N 3.3Å; R38-L40 PolarHBondContact O-N 3.46Å; L40-D44 WeakPolarHBondContact O-CB 3.47Å; L40-D44 PolarHBondContact O-N 3.04Å
41	I	95.1	Very high	81.7	Confident	13 Å²	13	58.7 Å²	58.7	7%	0.067	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-51.2	-177	-68.9	165.4	0	0	0	110.2	R37 R38 G43 D44 K45 A65 E68	R37-I41 HydrophobicContact CG-CD1 3.89Å; R37-I41 VanDerWaalsContact O-CG1 3.31Å; R37-I41 WeakPolarHBondContact O-CG1 3.39Å; R37-I41 PolarHBondContact O-N 2.92Å; R37-I41 VanDerWaalsContact O-N 3.15Å; R38-I41 PolarHBondContact O-N 3.21Å; I41-G43 PolarHBondContact O-N 3.07Å; I41-D44 PolarHBondContact O-N 3.32Å; I41-K45 WeakPolarHBondContact O-CG 3.36Å; I41-K45 PolarHBondContact O-N 3.17Å; I41-K45 VanDerWaalsContact O-N 3.15Å; I41-A65 HydrophobicContact CG2-CB 3.82Å; I41-E68 HydrophobicContact CD1-CG 4.08Å; I41-E68 HydrophobicContact CG1-CG 4.34Å; I41-E68 HydrophobicContact CG2-CB 4.1Å; I41-E68 HydrophobicContact CG2-CG 4.24Å
42	F	95.8	Very high	83.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.6	-39.3	-178.9	-86.1	-92.4	0	0	0	112.2	R38 K45 L46 M62 A65 I66 W79 V328 H332	R38-F42 HydrophobicContact CG-CD2 3.84Å; R38-F42 HydrophobicContact CG-CE2 3.9Å; R38-F42 WeakPolarHBondContact O-CD2 3.45Å; R38-F42 PolarHBondContact O-N 3.25Å; F42-K45 PolarHBondContact O-N 3.44Å; F42-L46 PolarHBondContact O-N 3.23Å; F42-M62 HydrophobicContact CD1-SD 3.76Å; F42-M62 HydrophobicContact CE1-SD 3.9Å; F42-A65 HydrophobicContact CD1-CB 3.88Å; F42-A65 HydrophobicContact CD2-CB 3.99Å; F42-A65 HydrophobicContact CE1-CB 3.83Å; F42-A65 HydrophobicContact CE2-CB 3.94Å; F42-A65 HydrophobicContact CG-CB 3.97Å; F42-A65 HydrophobicContact CZ-CB 3.87Å; F42-I66 HydrophobicContact CZ-CG1 4.19Å; F42-W79 HydrophobicContact CD1-CZ2 4.43Å; F42-W79 AromaticContact CE1-CH2 3.72Å; F42-W79 HydrophobicContact CE1-CH2 3.72Å; F42-W79 AromaticContact CE1-CZ2 3.39Å; F42-W79 HydrophobicContact CE1-CZ2 3.39Å; F42-W79 AromaticContact CZ-CE2 3.95Å; F42-W79 HydrophobicContact CZ-CH2 4.41Å; F42-W79 AromaticContact CZ-CZ2 3.7Å; F42-W79 HydrophobicContact CZ-CZ2 3.7Å; F42-V328 HydrophobicContact CB-CG1 4.11Å; F42-V328 HydrophobicContact CD2-CG1 4.1Å; F42-V328 HydrophobicContact CG-CG1 4.13Å; F42-H332 WeakPolarHBondContact CB-NE2 3.3Å; F42-H332 HydrophobicContact CD1-CB 3.75Å; F42-H332 AromaticContact CD1-CD2 3.85Å; F42-H332 AromaticContact CD1-CG 3.54Å; F42-H332 AromaticContact CD1-ND1 3.98Å; F42-H332 HydrophobicContact CE1-CB 4.17Å
43	G	94.9	Very high	85.4	Confident	2 Å²	2	59.5 Å²	59.5	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-44.5	173.2	0	0	0	0	0	113	E39 I41 K45 L46 H47 Y390	E39-G43 PolarHBondContact O-N 3.45Å; I41-G43 PolarHBondContact O-N 3.07Å; G43-K45 VanDerWaalsContact C-N 3.33Å; G43-K45 PolarHBondContact O-N 2.94Å; G43-L46 PolarHBondContact O-N 3.33Å; G43-H47 PolarHBondContact O-N 3.05Å; G43-Y390 WeakPolarHBondContact CA-OH 3.47Å
44	D	94.4	Very high	86.7	Confident	56 Å²	56	55 Å²	55	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-61.3	-39.7	176.2	172.6	70.4	0	0	0	112.3	L40 I41 H47 K48	L40-D44 WeakPolarHBondContact O-CB 3.47Å; L40-D44 PolarHBondContact O-N 3.04Å; I41-D44 PolarHBondContact O-N 3.32Å; D44-H47 PolarHBondContact O-N 2.66Å; D44-K48 WeakPolarHBondContact O-CB 3.42Å; D44-K48 VanDerWaalsContact O-CG 3.31Å; D44-K48 WeakPolarHBondContact O-CG 3.36Å; D44-K48 PolarHBondContact O-N 3.33Å; D44-K48 WeakPolarHBondContact OD1-CE 3.44Å; D44-K48 IonicContact OD1-NZ 3.99Å; D44-K48 WeakPolarHBondContact OD2-CE 3.48Å; D44-K48 IonicContact OD2-NZ 2.94Å; D44-K48 PolarHBondContact OD2-NZ 3.1Å
45	K	95.8	Very high	87.9	Confident	9 Å²	9	62.6 Å²	62.6	4%	0.039	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-39.6	175.5	-59.8	-46.9	179.3	-175	0	112	I41 F42 G43 K48 F49 L61 E64 A65 E68	I41-K45 WeakPolarHBondContact O-CG 3.36Å; I41-K45 PolarHBondContact O-N 3.17Å; I41-K45 VanDerWaalsContact O-N 3.15Å; F42-K45 PolarHBondContact O-N 3.44Å; G43-K45 VanDerWaalsContact C-N 3.33Å; G43-K45 PolarHBondContact O-N 2.94Å; K45-K48 PolarHBondContact O-N 2.78Å; K45-F49 PolarHBondContact O-N 3.26Å; K45-L61 HydrophobicContact CB-CB 4.21Å; K45-L61 HydrophobicContact CB-CD2 4.38Å; K45-L61 HydrophobicContact CD-CD2 4.05Å; K45-L61 WeakPolarHBondContact CG-O 3.48Å; K45-E64 HydrophobicContact CD-CB 4.49Å; K45-E64 IonicContact NZ-OE2 3.41Å; K45-A65 HydrophobicContact CG-CB 3.74Å; K45-E68 WeakPolarHBondContact CE-OE2 3.46Å; K45-E68 IonicContact NZ-OE2 2.79Å; K45-E68 PolarHBondContact NZ-OE2 3.2Å
46	L	95.7	Very high	89.2	Confident	0 Å²	0	60 Å²	60	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-46.8	175.1	178.7	61	0	0	0	111.3	F42 G43 K48 F49 L50 V335 D389 Y390 L393	F42-L46 PolarHBondContact O-N 3.23Å; G43-L46 PolarHBondContact O-N 3.33Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-K48 PolarHBondContact O-N 3.46Å; L46-F49 HydrophobicContact CD1-CD1 4.42Å; L46-F49 WeakPolarHBondContact O-CB 3.38Å; L46-F49 PolarHBondContact O-N 3.34Å; L46-L50 HydrophobicContact CD1-CD1 4.44Å; L46-L50 HydrophobicContact CD1-CG 4.37Å; L46-L50 HydrophobicContact CG-CD1 4.28Å; L46-L50 WeakPolarHBondContact O-CG 2.98Å; L46-L50 PolarHBondContact O-N 3.18Å; L46-V335 HydrophobicContact CD1-CG1 4.16Å; L46-D389 HydrophobicContact CD2-CB 4.46Å; L46-Y390 HydrophobicContact CD2-CD1 3.56Å; L46-Y390 HydrophobicContact CD2-CD2 4.38Å; L46-Y390 HydrophobicContact CD2-CE1 3.35Å; L46-Y390 HydrophobicContact CD2-CE2 4.2Å; L46-Y390 HydrophobicContact CD2-CG 4.05Å; L46-L393 HydrophobicContact CD1-CD1 4.21Å; L46-L393 HydrophobicContact CD1-CD2 4.47Å; L46-L393 HydrophobicContact CD2-CD1 4.03Å
47	H	94.6	Very high	89.7	Confident	49 Å²	49	59.1 Å²	59.1	23%	0.227	28%	0.281	C	S	.	.	H	α-helix	trans	-55.8	-47	175.7	-177.6	69	0	0	0	111.3	G43 D44 F49 L50 K51 D389 E440	G43-H47 PolarHBondContact O-N 3.05Å; D44-H47 PolarHBondContact O-N 2.66Å; H47-F49 VanDerWaalsContact C-N 3.29Å; H47-F49 PolarHBondContact O-N 3.39Å; H47-L50 PolarHBondContact O-N 3.09Å; H47-K51 WeakPolarHBondContact O-CB 3.44Å; H47-K51 PolarHBondContact O-N 2.9Å; H47-D389 WeakPolarHBondContact CB-OD2 3.31Å; H47-D389 IonicContact CE1-OD1 2.7Å; H47-D389 IonicContact CG-OD1 2.9Å; H47-D389 IonicContact CG-OD2 3.31Å; H47-D389 IonicContact ND1-OD1 3.54Å; H47-D389 PolarHBondContact ND1-OD1 3.19Å; H47-D389 IonicContact ND1-OD2 2.71Å; H47-D389 PolarHBondContact ND1-OD2 3.41Å; H47-D389 VanDerWaalsContact ND1-OD2 3.14Å; H47-E440 IonicContact CE1-OE2 2.9Å
48	K	93.7	Very high	90	Very high	79 Å²	79	51.7 Å²	51.7	34%	0.343	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-37.1	175.3	-76.8	169.5	179.3	165.4	0	113.1	D44 K45 L46 N52 L61	D44-K48 WeakPolarHBondContact O-CB 3.42Å; D44-K48 VanDerWaalsContact O-CG 3.31Å; D44-K48 WeakPolarHBondContact O-CG 3.36Å; D44-K48 PolarHBondContact O-N 3.33Å; D44-K48 WeakPolarHBondContact OD1-CE 3.44Å; D44-K48 IonicContact OD1-NZ 3.99Å; D44-K48 WeakPolarHBondContact OD2-CE 3.48Å; D44-K48 IonicContact OD2-NZ 2.94Å; D44-K48 PolarHBondContact OD2-NZ 3.1Å; K45-K48 PolarHBondContact O-N 2.78Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-K48 PolarHBondContact O-N 3.46Å; K48-N52 WeakPolarHBondContact O-CB 3.22Å; K48-N52 PolarHBondContact O-N 3.33Å; K48-N52 PolarHBondContact O-ND2 2.91Å; K48-L61 HydrophobicContact CB-CD2 4.41Å
49	F	93.7	Very high	90.2	Very high	28 Å²	28	50.4 Å²	50.4	12%	0.123	25%	0.25	C	C	.	.	H	α-helix	trans	-64.9	-47.2	175.9	171.6	-104.2	0	0	0	111.4	K45 L46 H47 Q53 G54 L58 L61 K339	K45-F49 PolarHBondContact O-N 3.26Å; L46-F49 HydrophobicContact CD1-CD1 4.42Å; L46-F49 WeakPolarHBondContact O-CB 3.38Å; L46-F49 PolarHBondContact O-N 3.34Å; H47-F49 VanDerWaalsContact C-N 3.29Å; H47-F49 PolarHBondContact O-N 3.39Å; F49-Q53 PolarHBondContact O-N 2.95Å; F49-G54 VanDerWaalsContact CE2-CA 3.48Å; F49-G54 PolarHBondContact O-N 2.75Å; F49-L58 HydrophobicContact CB-CD1 3.92Å; F49-L58 HydrophobicContact CD1-CD1 4.05Å; F49-L58 HydrophobicContact CD2-CB 3.83Å; F49-L58 HydrophobicContact CD2-CD1 3.96Å; F49-L58 HydrophobicContact CD2-CG 4.41Å; F49-L58 HydrophobicContact CE1-CD2 4.4Å; F49-L58 HydrophobicContact CE2-CB 3.77Å; F49-L58 HydrophobicContact CG-CB 4.43Å; F49-L58 HydrophobicContact CG-CD1 3.71Å; F49-L58 HydrophobicContact CZ-CB 4.33Å; F49-L58 HydrophobicContact CZ-CD2 4.41Å; F49-L61 HydrophobicContact CB-CD1 3.73Å; F49-L61 HydrophobicContact CD2-CD1 4.49Å; F49-K339 HydrophobicContact CE1-CG 4.45Å
50	L	92.1	Very high	90.3	Very high	27 Å²	27	53.4 Å²	53.4	14%	0.141	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-47.9	-179.7	-66.5	176.6	0	0	0	111.8	L46 H47 N52 Q53 D389 F392 L393 Y441	L46-L50 HydrophobicContact CD1-CD1 4.44Å; L46-L50 HydrophobicContact CD1-CG 4.37Å; L46-L50 HydrophobicContact CG-CD1 4.28Å; L46-L50 WeakPolarHBondContact O-CG 2.98Å; L46-L50 PolarHBondContact O-N 3.18Å; H47-L50 PolarHBondContact O-N 3.09Å; L50-N52 VanDerWaalsContact C-N 3.3Å; L50-N52 PolarHBondContact O-N 3.43Å; L50-Q53 WeakPolarHBondContact O-CA 3.39Å; L50-Q53 PolarHBondContact O-N 3.17Å; L50-D389 HydrophobicContact CD1-CB 3.69Å; L50-D389 VanDerWaalsContact CD1-O 3.23Å; L50-D389 WeakPolarHBondContact CD1-O 3.44Å; L50-F392 HydrophobicContact CD2-CD1 4.05Å; L50-F392 HydrophobicContact CD2-CE1 4.4Å; L50-L393 HydrophobicContact CD2-CD2 3.99Å; L50-Y441 HydrophobicContact CD1-CE1 4.15Å
51	K	87.8	Confident	90.5	Very high	143 Å²	143	51.4 Å²	51.4	62%	0.622	26%	0.256	S	S	*	.	H	α-helix	trans	-61.5	-36.1	179.7	-171.9	171.4	-170.6	158.5	0	113.5	H47 Q53	H47-K51 WeakPolarHBondContact O-CB 3.44Å; H47-K51 PolarHBondContact O-N 2.9Å; K51-Q53 PolarHBondContact O-N 3.01Å
52	N	85.9	Confident	90.5	Very high	73 Å²	73	50.8 Å²	50.8	39%	0.39	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	7.6	176.6	-71.1	-41.6	0	0	0	113.1	K48 L50 G54 K55	K48-N52 WeakPolarHBondContact O-CB 3.22Å; K48-N52 PolarHBondContact O-N 3.33Å; K48-N52 PolarHBondContact O-ND2 2.91Å; L50-N52 VanDerWaalsContact C-N 3.3Å; L50-N52 PolarHBondContact O-N 3.43Å; N52-G54 PolarHBondContact O-N 3.08Å; N52-G54 VanDerWaalsContact O-N 3.12Å; N52-K55 HydrophobicContact CB-CB 4.46Å; N52-K55 WeakPolarHBondContact O-CB 3.29Å; N52-K55 VanDerWaalsContact O-CG 3.24Å; N52-K55 WeakPolarHBondContact O-CG 3.48Å; N52-K55 PolarHBondContact O-N 3.16Å
53	Q	78.3	Confident	90.5	Very high	168 Å²	168	54.9 Å²	54.9	79%	0.785	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	35.4	-175.4	-60.5	-179	-11.9	0	0	112.4	F49 L50 K51 K55	F49-Q53 PolarHBondContact O-N 2.95Å; L50-Q53 WeakPolarHBondContact O-CA 3.39Å; L50-Q53 PolarHBondContact O-N 3.17Å; K51-Q53 PolarHBondContact O-N 3.01Å; Q53-K55 VanDerWaalsContact C-N 3.34Å; Q53-K55 PolarHBondContact O-N 3.06Å
54	G	73.3	Confident	90.5	Very high	34 Å²	34	58.3 Å²	58.3	35%	0.351	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	14.9	-179.4	0	0	0	0	0	116.3	F49 N52 K56	F49-G54 VanDerWaalsContact CE2-CA 3.48Å; F49-G54 PolarHBondContact O-N 2.75Å; N52-G54 PolarHBondContact O-N 3.08Å; N52-G54 VanDerWaalsContact O-N 3.12Å; G54-K56 VanDerWaalsContact C-N 3.26Å; G54-K56 PolarHBondContact O-N 3.1Å
55	K	78.1	Confident	90.6	Very high	181 Å²	181	55.6 Å²	55.6	79%	0.787	27%	0.272	S	S	*	.			trans	-62.2	-32.6	174	-72.7	174.5	-176.6	176.1	0	113.2	N52 Q53	N52-K55 HydrophobicContact CB-CB 4.46Å; N52-K55 WeakPolarHBondContact O-CB 3.29Å; N52-K55 VanDerWaalsContact O-CG 3.24Å; N52-K55 WeakPolarHBondContact O-CG 3.48Å; N52-K55 PolarHBondContact O-N 3.16Å; Q53-K55 VanDerWaalsContact C-N 3.34Å; Q53-K55 PolarHBondContact O-N 3.06Å
56	K	84.7	Confident	90.6	Very high	73 Å²	73	56 Å²	56	32%	0.317	27%	0.274	S	S	.	.	S	Bend	trans	-92.1	135.9	172.1	-168.7	172.4	176.4	-174.6	0	108.9	G54 L58 L61 E64	G54-K56 VanDerWaalsContact C-N 3.26Å; G54-K56 PolarHBondContact O-N 3.1Å; K56-L58 PolarHBondContact O-N 2.94Å; K56-L61 HydrophobicContact CB-CD1 4.21Å; K56-L61 HydrophobicContact CD-CD1 4.15Å; K56-L61 HydrophobicContact CD-CD2 3.76Å; K56-L61 HydrophobicContact CD-CG 3.81Å; K56-L61 HydrophobicContact CG-CD1 4.14Å; K56-L61 HydrophobicContact CG-CG 4.05Å; K56-E64 WeakPolarHBondContact CE-OE1 3.3Å; K56-E64 IonicContact NZ-OE1 3.21Å; K56-E64 PolarHBondContact NZ-OE1 3.27Å; K56-E64 IonicContact NZ-OE2 2.67Å; K56-E64 PolarHBondContact NZ-OE2 3.46Å
57	S	90.1	Very high	90.5	Very high	50 Å²	50	62.1 Å²	62.1	35%	0.35	31%	0.307	S	S	.	.			trans	-57.6	127	177.9	177.7	0	0	0	0	110.6	V59 D60 L61	S57-V59 PolarHBondContact O-N 3.5Å; S57-V59 PolarHBondContact OG-N 3.37Å; S57-D60 WeakPolarHBondContact CB-OD2 3.25Å; S57-D60 PolarHBondContact O-N 2.99Å; S57-D60 PolarHBondContact OG-N 2.91Å; S57-L61 PolarHBondContact O-N 2.97Å; S57-L61 VanDerWaalsContact O-N 3.11Å
58	L	92.9	Very high	90.6	Very high	9 Å²	9	64.3 Å²	64.3	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-34.3	174	-173.7	59.7	0	0	0	111	F49 K56 D60 L61 M62 V335 L336 K339	F49-L58 HydrophobicContact CB-CD1 3.92Å; F49-L58 HydrophobicContact CD1-CD1 4.05Å; F49-L58 HydrophobicContact CD2-CB 3.83Å; F49-L58 HydrophobicContact CD2-CD1 3.96Å; F49-L58 HydrophobicContact CD2-CG 4.41Å; F49-L58 HydrophobicContact CE1-CD2 4.4Å; F49-L58 HydrophobicContact CE2-CB 3.77Å; F49-L58 HydrophobicContact CG-CB 4.43Å; F49-L58 HydrophobicContact CG-CD1 3.71Å; F49-L58 HydrophobicContact CZ-CB 4.33Å; F49-L58 HydrophobicContact CZ-CD2 4.41Å; K56-L58 PolarHBondContact O-N 2.94Å; L58-D60 PolarHBondContact O-N 3.14Å; L58-L61 PolarHBondContact O-N 3.41Å; L58-M62 HydrophobicContact CD1-CE 3.47Å; L58-M62 VanDerWaalsContact CD1-CE 3.47Å; L58-M62 HydrophobicContact CG-CE 4.11Å; L58-M62 HydrophobicContact CG-CG 4.49Å; L58-M62 VanDerWaalsContact O-CG 3.26Å; L58-M62 WeakPolarHBondContact O-CG 3.46Å; L58-M62 PolarHBondContact O-N 3.28Å; L58-V335 HydrophobicContact CD2-CG1 4.32Å; L58-L336 HydrophobicContact CB-CD1 4.2Å; L58-L336 HydrophobicContact CD2-CD1 3.93Å; L58-L336 HydrophobicContact CG-CD1 3.87Å; L58-K339 HydrophobicContact CD2-CB 3.94Å; L58-K339 HydrophobicContact CD2-CG 4Å
59	V	93.8	Very high	90.5	Very high	6 Å²	6	61.6 Å²	61.6	4%	0.036	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-46.9	176.9	179.9	0	0	0	0	110.3	S57 L61 M62 K63 L86 L336 L340	S57-V59 PolarHBondContact O-N 3.5Å; S57-V59 PolarHBondContact OG-N 3.37Å; V59-L61 VanDerWaalsContact C-N 3.34Å; V59-L61 PolarHBondContact O-N 2.91Å; V59-M62 PolarHBondContact O-N 3.43Å; V59-K63 HydrophobicContact CG1-CD 4.48Å; V59-K63 WeakPolarHBondContact O-CG 3.14Å; V59-K63 PolarHBondContact O-N 3.43Å; V59-L86 WeakPolarHBondContact CG2-O 3.32Å; V59-L336 HydrophobicContact CG2-CD1 3.92Å; V59-L340 HydrophobicContact CG2-CD1 3.9Å
60	D	94.1	Very high	90.3	Very high	80 Å²	80	62.8 Å²	62.8	43%	0.428	33%	0.328	S	S	.	.	H	α-helix	trans	-67.8	-38.2	-178.5	-60.2	-22.8	0	0	0	111.1	S57 L58 M62 K63 E64	S57-D60 WeakPolarHBondContact CB-OD2 3.25Å; S57-D60 PolarHBondContact O-N 2.99Å; S57-D60 PolarHBondContact OG-N 2.91Å; L58-D60 PolarHBondContact O-N 3.14Å; D60-M62 VanDerWaalsContact C-N 3.35Å; D60-M62 PolarHBondContact O-N 3.17Å; D60-K63 PolarHBondContact O-N 3.42Å; D60-E64 WeakPolarHBondContact O-CG 3.49Å; D60-E64 PolarHBondContact O-N 3.49Å
61	L	95.4	Very high	90.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.8	-39.6	173.8	-81	170.3	0	0	0	112.3	K45 K48 F49 K56 S57 L58 V59 E64 A65	K45-L61 HydrophobicContact CB-CB 4.21Å; K45-L61 HydrophobicContact CB-CD2 4.38Å; K45-L61 HydrophobicContact CD-CD2 4.05Å; K45-L61 WeakPolarHBondContact CG-O 3.48Å; K48-L61 HydrophobicContact CB-CD2 4.41Å; F49-L61 HydrophobicContact CB-CD1 3.73Å; F49-L61 HydrophobicContact CD2-CD1 4.49Å; K56-L61 HydrophobicContact CB-CD1 4.21Å; K56-L61 HydrophobicContact CD-CD1 4.15Å; K56-L61 HydrophobicContact CD-CD2 3.76Å; K56-L61 HydrophobicContact CD-CG 3.81Å; K56-L61 HydrophobicContact CG-CD1 4.14Å; K56-L61 HydrophobicContact CG-CG 4.05Å; S57-L61 PolarHBondContact O-N 2.97Å; S57-L61 VanDerWaalsContact O-N 3.11Å; L58-L61 PolarHBondContact O-N 3.41Å; V59-L61 VanDerWaalsContact C-N 3.34Å; V59-L61 PolarHBondContact O-N 2.91Å; L61-E64 PolarHBondContact O-N 3.11Å; L61-A65 PolarHBondContact O-N 3.2Å
62	M	95.9	Very high	90.4	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.7	-40	174.8	-66.1	-62.1	159.8	0	0	111.6	F42 L58 V59 D60 E64 A65 I66 W79 H332	F42-M62 HydrophobicContact CD1-SD 3.76Å; F42-M62 HydrophobicContact CE1-SD 3.9Å; L58-M62 HydrophobicContact CD1-CE 3.47Å; L58-M62 VanDerWaalsContact CD1-CE 3.47Å; L58-M62 HydrophobicContact CG-CE 4.11Å; L58-M62 HydrophobicContact CG-CG 4.49Å; L58-M62 VanDerWaalsContact O-CG 3.26Å; L58-M62 WeakPolarHBondContact O-CG 3.46Å; L58-M62 PolarHBondContact O-N 3.28Å; V59-M62 PolarHBondContact O-N 3.43Å; D60-M62 VanDerWaalsContact C-N 3.35Å; D60-M62 PolarHBondContact O-N 3.17Å; M62-E64 PolarHBondContact O-N 2.95Å; M62-A65 WeakPolarHBondContact O-CB 3.4Å; M62-A65 PolarHBondContact O-N 2.95Å; M62-A65 VanDerWaalsContact O-N 3.09Å; M62-I66 WeakPolarHBondContact O-CD1 3.39Å; M62-I66 VanDerWaalsContact O-CG1 3.26Å; M62-I66 WeakPolarHBondContact O-CG1 3.45Å; M62-I66 PolarHBondContact O-N 3.22Å; M62-W79 HydrophobicContact CB-CZ3 4.14Å; M62-W79 HydrophobicContact CG-CZ3 4.5Å; M62-W79 HydrophobicContact SD-CH2 4.32Å; M62-H332 HydrophobicContact CE-CB 4.45Å; M62-H332 HydrophobicContact SD-CB 4.11Å
63	K	95.3	Very high	90.7	Very high	86 Å²	86	60.8 Å²	60.8	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-57	-47.2	171.7	-72.3	177.9	177.3	-178.4	0	112	V59 D60 A65 I66 D67 T83	V59-K63 HydrophobicContact CG1-CD 4.48Å; V59-K63 WeakPolarHBondContact O-CG 3.14Å; V59-K63 PolarHBondContact O-N 3.43Å; D60-K63 PolarHBondContact O-N 3.42Å; K63-A65 VanDerWaalsContact C-N 3.27Å; K63-A65 PolarHBondContact O-N 3.12Å; K63-I66 WeakPolarHBondContact O-CB 3.38Å; K63-I66 PolarHBondContact O-N 3.13Å; K63-I66 VanDerWaalsContact O-N 3.16Å; K63-D67 PolarHBondContact O-N 2.88Å; K63-T83 HydrophobicContact CG-CG2 3.89Å
64	E	95.6	Very high	91.4	Very high	73 Å²	73	54.2 Å²	54.2	34%	0.341	31%	0.311	S	S	.	.	H	α-helix	trans	-59.4	-36.6	174.3	-72.3	172.3	-162.8	0	0	112.7	K45 K56 D60 L61 M62 E68	K45-E64 HydrophobicContact CD-CB 4.49Å; K45-E64 IonicContact NZ-OE2 3.41Å; K56-E64 WeakPolarHBondContact CE-OE1 3.3Å; K56-E64 IonicContact NZ-OE1 3.21Å; K56-E64 PolarHBondContact NZ-OE1 3.27Å; K56-E64 IonicContact NZ-OE2 2.67Å; K56-E64 PolarHBondContact NZ-OE2 3.46Å; D60-E64 WeakPolarHBondContact O-CG 3.49Å; D60-E64 PolarHBondContact O-N 3.49Å; L61-E64 PolarHBondContact O-N 3.11Å; M62-E64 PolarHBondContact O-N 2.95Å; E64-E68 WeakPolarHBondContact O-CB 3.35Å; E64-E68 PolarHBondContact O-N 3.01Å
65	A	95.7	Very high	92.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.9	-40.6	175.4	0	0	0	0	0	112.6	I41 F42 K45 L61 M62 K63 E68 S69	I41-A65 HydrophobicContact CG2-CB 3.82Å; F42-A65 HydrophobicContact CD1-CB 3.88Å; F42-A65 HydrophobicContact CD2-CB 3.99Å; F42-A65 HydrophobicContact CE1-CB 3.83Å; F42-A65 HydrophobicContact CE2-CB 3.94Å; F42-A65 HydrophobicContact CG-CB 3.97Å; F42-A65 HydrophobicContact CZ-CB 3.87Å; K45-A65 HydrophobicContact CG-CB 3.74Å; L61-A65 PolarHBondContact O-N 3.2Å; M62-A65 WeakPolarHBondContact O-CB 3.4Å; M62-A65 PolarHBondContact O-N 2.95Å; M62-A65 VanDerWaalsContact O-N 3.09Å; K63-A65 VanDerWaalsContact C-N 3.27Å; K63-A65 PolarHBondContact O-N 3.12Å; A65-E68 PolarHBondContact O-N 2.96Å; A65-S69 WeakPolarHBondContact O-CB 3.44Å; A65-S69 PolarHBondContact O-N 3.29Å; A65-S69 PolarHBondContact O-OG 3.38Å
66	I	95.4	Very high	93.2	Very high	18 Å²	18	45.9 Å²	45.9	9%	0.092	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-48.9	177.8	-66.5	155.1	0	0	0	109.7	F42 M62 K63 S69 G70 T71 W79 T83	F42-I66 HydrophobicContact CZ-CG1 4.19Å; M62-I66 WeakPolarHBondContact O-CD1 3.39Å; M62-I66 VanDerWaalsContact O-CG1 3.26Å; M62-I66 WeakPolarHBondContact O-CG1 3.45Å; M62-I66 PolarHBondContact O-N 3.22Å; K63-I66 WeakPolarHBondContact O-CB 3.38Å; K63-I66 PolarHBondContact O-N 3.13Å; K63-I66 VanDerWaalsContact O-N 3.16Å; I66-S69 PolarHBondContact O-OG 2.97Å; I66-G70 PolarHBondContact O-N 3.43Å; I66-T71 HydrophobicContact CG2-CG2 4.44Å; I66-T71 PolarHBondContact O-N 3.04Å; I66-T71 VanDerWaalsContact O-N 3.11Å; I66-T71 PolarHBondContact O-OG1 2.89Å; I66-W79 HydrophobicContact CD1-CB 3.61Å; I66-W79 HydrophobicContact CD1-CD2 3.6Å; I66-W79 HydrophobicContact CD1-CE3 3.57Å; I66-W79 HydrophobicContact CD1-CG 3.66Å; I66-W79 HydrophobicContact CD1-CZ3 4.37Å; I66-W79 HydrophobicContact CG1-CB 4.02Å; I66-W79 HydrophobicContact CG1-CD2 3.82Å; I66-W79 HydrophobicContact CG1-CE3 4.21Å; I66-W79 HydrophobicContact CG1-CG 3.74Å; I66-W79 HydrophobicContact CG2-CB 4.43Å; I66-T83 HydrophobicContact CD1-CG2 4.06Å
67	D	95	Very high	93.6	Very high	128 Å²	128	46.1 Å²	46.1	68%	0.684	27%	0.273	S	S	*	.	H	α-helix	trans	-63.5	-48.3	178.9	-64.9	-21.7	0	0	0	111.5	K63 S69 G70	K63-D67 PolarHBondContact O-N 2.88Å; D67-S69 VanDerWaalsContact C-N 3.31Å; D67-S69 PolarHBondContact O-N 2.92Å; D67-G70 PolarHBondContact O-N 2.91Å; D67-G70 VanDerWaalsContact O-N 3.15Å
68	E	94.9	Very high	93.9	Very high	94 Å²	94	43.7 Å²	43.7	44%	0.439	26%	0.257	S	S	.	.	H	α-helix	trans	-68.5	-30	-176.7	-174	174.3	174.4	0	0	113.1	R37 I41 K45 E64 A65 G70	R37-E68 PolarHBondContact NH2-O 3.41Å; R37-E68 VanDerWaalsContact NH2-O 3.12Å; I41-E68 HydrophobicContact CD1-CG 4.08Å; I41-E68 HydrophobicContact CG1-CG 4.34Å; I41-E68 HydrophobicContact CG2-CB 4.1Å; I41-E68 HydrophobicContact CG2-CG 4.24Å; K45-E68 WeakPolarHBondContact CE-OE2 3.46Å; K45-E68 IonicContact NZ-OE2 2.79Å; K45-E68 PolarHBondContact NZ-OE2 3.2Å; E64-E68 WeakPolarHBondContact O-CB 3.35Å; E64-E68 PolarHBondContact O-N 3.01Å; A65-E68 PolarHBondContact O-N 2.96Å; E68-G70 VanDerWaalsContact C-N 3.31Å
69	S	92.4	Very high	94.1	Very high	23 Å²	23	43.3 Å²	43.3	16%	0.161	26%	0.255	C	S	.	.	H	α-helix	trans	-81.1	-11	175.9	59.9	0	0	0	0	113.3	R38 A65 I66 D67 T71	R38-S69 PolarHBondContact NH1-OG 3.39Å; A65-S69 WeakPolarHBondContact O-CB 3.44Å; A65-S69 PolarHBondContact O-N 3.29Å; A65-S69 PolarHBondContact O-OG 3.38Å; I66-S69 PolarHBondContact O-OG 2.97Å; D67-S69 VanDerWaalsContact C-N 3.31Å; D67-S69 PolarHBondContact O-N 2.92Å; S69-T71 PolarHBondContact OG-OG1 3.37Å
70	G	90.6	Very high	94.1	Very high	53 Å²	53	46.9 Å²	46.9	55%	0.546	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	40.5	-175.9	0	0	0	0	0	112.1	I66 D67 E68 D72	I66-G70 PolarHBondContact O-N 3.43Å; D67-G70 PolarHBondContact O-N 2.91Å; D67-G70 VanDerWaalsContact O-N 3.15Å; E68-G70 VanDerWaalsContact C-N 3.31Å; G70-D72 PolarHBondContact O-N 2.86Å
71	T	90.9	Very high	94.2	Very high	24 Å²	24	43.2 Å²	43.2	15%	0.147	25%	0.254	C	S	.	.			trans	-65.5	124.2	-179.2	-50	0	0	0	0	110.5	R38 I66 S69 L75	R38-T71 PolarHBondContact NH1-OG1 3.25Å; R38-T71 PolarHBondContact NH2-OG1 3.02Å; R38-T71 VanDerWaalsContact NH2-OG1 3.08Å; I66-T71 HydrophobicContact CG2-CG2 4.44Å; I66-T71 PolarHBondContact O-N 3.04Å; I66-T71 VanDerWaalsContact O-N 3.11Å; I66-T71 PolarHBondContact O-OG1 2.89Å; S69-T71 PolarHBondContact OG-OG1 3.37Å; T71-L75 HydrophobicContact CG2-CB 3.66Å
72	D	90.9	Very high	94.2	Very high	129 Å²	129	43.2 Å²	43.2	69%	0.69	25%	0.254	S	S	*	.			trans	-139.6	-177.5	178.8	66.3	-2.4	0	0	0	112.1	G70 L75 G76	G70-D72 PolarHBondContact O-N 2.86Å; D72-L75 PolarHBondContact O-N 3.1Å; D72-G76 PolarHBondContact O-N 3.4Å; D72-G76 VanDerWaalsContact O-N 3.11Å
73	G	92.3	Very high	94.1	Very high	48 Å²	48	43.9 Å²	43.9	50%	0.495	26%	0.258	S	S	.	.	H	α-helix	trans	55.6	-139.6	179.6	0	0	0	0	0	113.2	L75 G76 D77	G73-L75 VanDerWaalsContact C-N 3.25Å; G73-L75 PolarHBondContact O-N 3.25Å; G73-G76 WeakPolarHBondContact O-CA 3.45Å; G73-G76 PolarHBondContact O-N 3.25Å; G73-D77 PolarHBondContact O-N 3.04Å
74	A	93.1	Very high	94	Very high	29 Å²	29	41.5 Å²	41.5	24%	0.24	25%	0.252	C	S	.	.	H	α-helix	trans	-55.8	-36	-177.1	0	0	0	0	0	113.7	V78 F301 Q302	A74-V78 WeakPolarHBondContact O-CG2 3.48Å; A74-V78 PolarHBondContact O-N 3.13Å; A74-V78 VanDerWaalsContact O-N 3.15Å; A74-F301 HydrophobicContact CB-CE1 4.16Å; A74-F301 HydrophobicContact CB-CZ 4.07Å; A74-Q302 HydrophobicContact CB-CB 4Å; A74-Q302 HydrophobicContact CB-CG 3.96Å
75	L	93.9	Very high	93.8	Very high	32 Å²	32	38 Å²	38	17%	0.168	24%	0.236	C	C	.	.	H	α-helix	trans	-75.4	-31.9	175.9	-77.5	177.1	0	0	0	112.3	T71 D72 G73 D77 V78 W79 F301 Q326 D329	T71-L75 HydrophobicContact CG2-CB 3.66Å; D72-L75 PolarHBondContact O-N 3.1Å; G73-L75 VanDerWaalsContact C-N 3.25Å; G73-L75 PolarHBondContact O-N 3.25Å; L75-D77 VanDerWaalsContact C-N 3.33Å; L75-V78 PolarHBondContact O-N 3.27Å; L75-W79 VanDerWaalsContact O-CD1 3.3Å; L75-W79 PolarHBondContact O-N 2.97Å; L75-F301 HydrophobicContact CD2-CE2 4.15Å; L75-F301 HydrophobicContact CD2-CZ 3.99Å; L75-F301 HydrophobicContact CG-CZ 4.29Å; L75-Q326 HydrophobicContact CD2-CB 4.36Å; L75-Q326 HydrophobicContact CD2-CG 4.05Å; L75-D329 HydrophobicContact CD2-CB 4.36Å
76	G	94.8	Very high	93.7	Very high	8 Å²	8	38 Å²	38	8%	0.082	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-47.7	171.3	0	0	0	0	0	110.8	D72 G73 V78 W79 N80	D72-G76 PolarHBondContact O-N 3.4Å; D72-G76 VanDerWaalsContact O-N 3.11Å; G73-G76 WeakPolarHBondContact O-CA 3.45Å; G73-G76 PolarHBondContact O-N 3.25Å; G76-V78 PolarHBondContact O-N 2.9Å; G76-W79 PolarHBondContact O-N 3.16Å; G76-N80 VanDerWaalsContact O-CG 3.25Å; G76-N80 PolarHBondContact O-N 3.29Å; G76-N80 PolarHBondContact O-ND2 2.94Å
77	D	92.6	Very high	93.3	Very high	78 Å²	78	40.7 Å²	40.7	42%	0.417	25%	0.25	S	S	.	.	H	α-helix	trans	-60.2	-45.5	177.6	-61	-27	0	0	0	111.7	G73 L75 W79 N80 D81	G73-D77 PolarHBondContact O-N 3.04Å; L75-D77 VanDerWaalsContact C-N 3.33Å; D77-W79 VanDerWaalsContact C-N 3.33Å; D77-W79 PolarHBondContact O-N 3.2Å; D77-N80 WeakPolarHBondContact O-CB 3.43Å; D77-N80 PolarHBondContact O-N 3.48Å; D77-D81 PolarHBondContact O-N 2.91Å
78	V	96.4	Very high	93	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55.2	-46.5	174.4	163	0	0	0	0	111.8	A74 L75 G76 D81 V82 F301 Q302 F305 L321	A74-V78 WeakPolarHBondContact O-CG2 3.48Å; A74-V78 PolarHBondContact O-N 3.13Å; A74-V78 VanDerWaalsContact O-N 3.15Å; L75-V78 PolarHBondContact O-N 3.27Å; G76-V78 PolarHBondContact O-N 2.9Å; V78-D81 WeakPolarHBondContact O-CB 3.35Å; V78-D81 PolarHBondContact O-N 3.16Å; V78-V82 HydrophobicContact CG1-CG2 4.46Å; V78-V82 WeakPolarHBondContact O-CG2 3.44Å; V78-V82 PolarHBondContact O-N 3.31Å; V78-F301 HydrophobicContact CG2-CD2 4.49Å; V78-F301 HydrophobicContact CG2-CE2 3.94Å; V78-Q302 HydrophobicContact CG2-CB 4.3Å; V78-F305 HydrophobicContact CB-CD1 4.14Å; V78-F305 HydrophobicContact CB-CE1 4.17Å; V78-F305 HydrophobicContact CG1-CD1 4Å; V78-F305 HydrophobicContact CG1-CD2 4.44Å; V78-F305 HydrophobicContact CG1-CE1 3.67Å; V78-F305 HydrophobicContact CG1-CE2 4.14Å; V78-F305 HydrophobicContact CG1-CG 4.38Å; V78-F305 HydrophobicContact CG1-CZ 3.74Å; V78-F305 HydrophobicContact CG2-CB 4.2Å; V78-F305 HydrophobicContact CG2-CD1 3.7Å; V78-F305 HydrophobicContact CG2-CE1 4.23Å; V78-F305 HydrophobicContact CG2-CG 3.87Å; V78-L321 HydrophobicContact CG1-CD1 4.18Å; V78-L321 HydrophobicContact CG1-CD2 4.27Å; V78-L321 HydrophobicContact CG2-CD2 4.4Å
79	W	96.4	Very high	92.7	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-75.1	-27.7	-179.2	-82.7	106.1	0	0	0	113.6	F42 M62 I66 L75 G76 D77 V82 T83 D329 H332 V333 L336	F42-W79 HydrophobicContact CD1-CZ2 4.43Å; F42-W79 AromaticContact CE1-CH2 3.72Å; F42-W79 HydrophobicContact CE1-CH2 3.72Å; F42-W79 AromaticContact CE1-CZ2 3.39Å; F42-W79 HydrophobicContact CE1-CZ2 3.39Å; F42-W79 AromaticContact CZ-CE2 3.95Å; F42-W79 HydrophobicContact CZ-CH2 4.41Å; F42-W79 AromaticContact CZ-CZ2 3.7Å; F42-W79 HydrophobicContact CZ-CZ2 3.7Å; M62-W79 HydrophobicContact CB-CZ3 4.14Å; M62-W79 HydrophobicContact CG-CZ3 4.5Å; M62-W79 HydrophobicContact SD-CH2 4.32Å; I66-W79 HydrophobicContact CD1-CB 3.61Å; I66-W79 HydrophobicContact CD1-CD2 3.6Å; I66-W79 HydrophobicContact CD1-CE3 3.57Å; I66-W79 HydrophobicContact CD1-CG 3.66Å; I66-W79 HydrophobicContact CD1-CZ3 4.37Å; I66-W79 HydrophobicContact CG1-CB 4.02Å; I66-W79 HydrophobicContact CG1-CD2 3.82Å; I66-W79 HydrophobicContact CG1-CE3 4.21Å; I66-W79 HydrophobicContact CG1-CG 3.74Å; I66-W79 HydrophobicContact CG2-CB 4.43Å; L75-W79 VanDerWaalsContact O-CD1 3.3Å; L75-W79 PolarHBondContact O-N 2.97Å; G76-W79 PolarHBondContact O-N 3.16Å; D77-W79 VanDerWaalsContact C-N 3.33Å; D77-W79 PolarHBondContact O-N 3.2Å; W79-V82 HydrophobicContact CE3-CB 3.93Å; W79-V82 HydrophobicContact CE3-CG1 3.72Å; W79-V82 HydrophobicContact CE3-CG2 4.44Å; W79-V82 HydrophobicContact CZ3-CB 4.44Å; W79-V82 HydrophobicContact CZ3-CG1 3.75Å; W79-V82 PolarHBondContact O-N 2.96Å; W79-T83 HydrophobicContact CE3-CG2 4.38Å; W79-T83 WeakPolarHBondContact O-CB 3.41Å; W79-T83 WeakPolarHBondContact O-CG2 3.18Å; W79-T83 PolarHBondContact O-N 2.94Å; W79-T83 PolarHBondContact O-OG1 3.41Å; W79-D329 PolarHBondContact NE1-OD1 3.4Å; W79-H332 HydrophobicContact CH2-CB 4.07Å; W79-H332 HydrophobicContact CZ2-CB 4.27Å; W79-V333 HydrophobicContact CE3-CG2 4.37Å; W79-V333 HydrophobicContact CH2-CG2 3.61Å; W79-V333 HydrophobicContact CZ2-CG2 3.73Å; W79-V333 HydrophobicContact CZ3-CG2 3.95Å; W79-L336 HydrophobicContact CZ3-CD2 4.47Å
80	N	94.5	Very high	92.6	Very high	81 Å²	81	42 Å²	42	43%	0.433	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-44.9	169.1	-71.7	-24.2	0	0	0	110.6	G76 D77 S84 Y110	G76-N80 VanDerWaalsContact O-CG 3.25Å; G76-N80 PolarHBondContact O-N 3.29Å; G76-N80 PolarHBondContact O-ND2 2.94Å; D77-N80 WeakPolarHBondContact O-CB 3.43Å; D77-N80 PolarHBondContact O-N 3.48Å; N80-S84 WeakPolarHBondContact O-CB 3.45Å; N80-S84 PolarHBondContact O-N 2.75Å; N80-S84 PolarHBondContact O-OG 3.3Å; N80-Y110 HydrophobicContact CB-CE2 4.45Å
81	D	95.2	Very high	92.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.011	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-47.4	173.9	-66.5	-17.5	0	0	0	111.5	D77 V78 V85 Y110 F305 T306 W309	D77-D81 PolarHBondContact O-N 2.91Å; V78-D81 WeakPolarHBondContact O-CB 3.35Å; V78-D81 PolarHBondContact O-N 3.16Å; D81-V85 WeakPolarHBondContact O-CG2 3.43Å; D81-V85 PolarHBondContact O-N 2.82Å; D81-V85 VanDerWaalsContact O-N 3.17Å; D81-Y110 WeakPolarHBondContact OD1-CE1 3.2Å; D81-Y110 PolarHBondContact OD1-OH 3.1Å; D81-F305 HydrophobicContact CB-CE1 4.2Å; D81-T306 VanDerWaalsContact OD2-CA 3.26Å; D81-T306 WeakPolarHBondContact OD2-CA 3.41Å; D81-T306 WeakPolarHBondContact OD2-CB 3.36Å; D81-T306 WeakPolarHBondContact OD2-CG2 3.44Å; D81-T306 PolarHBondContact OD2-OG1 3.05Å; D81-W309 HydrophobicContact CB-CG 4.43Å; D81-W309 PolarHBondContact O-NE1 2.78Å; D81-W309 VanDerWaalsContact O-NE1 3.17Å
82	V	96.8	Very high	91.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-53.6	180	170.6	0	0	0	0	111.3	V78 W79 S84 L86 F305 W309 V333 L336	V78-V82 HydrophobicContact CG1-CG2 4.46Å; V78-V82 WeakPolarHBondContact O-CG2 3.44Å; V78-V82 PolarHBondContact O-N 3.31Å; W79-V82 HydrophobicContact CE3-CB 3.93Å; W79-V82 HydrophobicContact CE3-CG1 3.72Å; W79-V82 HydrophobicContact CE3-CG2 4.44Å; W79-V82 HydrophobicContact CZ3-CB 4.44Å; W79-V82 HydrophobicContact CZ3-CG1 3.75Å; W79-V82 PolarHBondContact O-N 2.96Å; V82-S84 VanDerWaalsContact C-N 3.33Å; V82-S84 PolarHBondContact O-N 3.47Å; V82-L86 VanDerWaalsContact O-CB 3.29Å; V82-L86 WeakPolarHBondContact O-CB 3.13Å; V82-L86 PolarHBondContact O-N 3.47Å; V82-F305 HydrophobicContact CG2-CE1 4.04Å; V82-F305 HydrophobicContact CG2-CZ 3.71Å; V82-W309 HydrophobicContact CB-CZ2 4.04Å; V82-W309 HydrophobicContact CG1-CZ2 4.01Å; V82-W309 HydrophobicContact CG2-CD2 4.37Å; V82-W309 HydrophobicContact CG2-CH2 4.09Å; V82-W309 HydrophobicContact CG2-CZ2 3.65Å; V82-V333 HydrophobicContact CG1-CG1 4.48Å; V82-V333 HydrophobicContact CG1-CG2 4.37Å; V82-V333 HydrophobicContact CG2-CG1 3.92Å; V82-V333 HydrophobicContact CG2-CG2 3.84Å; V82-L336 HydrophobicContact CG1-CD2 3.77Å
83	T	94.5	Very high	91.6	Very high	15 Å²	15	43.2 Å²	43.2	9%	0.092	26%	0.259	C	S	.	.	H	α-helix	trans	-75.8	-22.6	-172.8	58.8	0	0	0	0	113.4	K63 I66 W79	K63-T83 HydrophobicContact CG-CG2 3.89Å; I66-T83 HydrophobicContact CD1-CG2 4.06Å; W79-T83 HydrophobicContact CE3-CG2 4.38Å; W79-T83 WeakPolarHBondContact O-CB 3.41Å; W79-T83 WeakPolarHBondContact O-CG2 3.18Å; W79-T83 PolarHBondContact O-N 2.94Å; W79-T83 PolarHBondContact O-OG1 3.41Å
84	S	91.8	Very high	91.2	Very high	36 Å²	36	41.6 Å²	41.6	25%	0.252	24%	0.237	S	C	.	.	H	α-helix	trans	-75.7	-41.4	175.4	-61.3	0	0	0	0	112.1	N80 V82 N87 Y110	N80-S84 WeakPolarHBondContact O-CB 3.45Å; N80-S84 PolarHBondContact O-N 2.75Å; N80-S84 PolarHBondContact O-OG 3.3Å; V82-S84 VanDerWaalsContact C-N 3.33Å; V82-S84 PolarHBondContact O-N 3.47Å; S84-N87 PolarHBondContact O-ND2 2.93Å; S84-Y110 VanDerWaalsContact CB-CD2 3.4Å; S84-Y110 WeakPolarHBondContact OG-CD2 3.42Å; S84-Y110 WeakPolarHBondContact OG-CE2 3.33Å
85	V	92.7	Very high	90.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-83.2	-42.4	-179.9	177.8	0	0	0	0	112.2	D81 N87 L103 L310 F314	D81-V85 WeakPolarHBondContact O-CG2 3.43Å; D81-V85 PolarHBondContact O-N 2.82Å; D81-V85 VanDerWaalsContact O-N 3.17Å; V85-N87 PolarHBondContact O-N 3.27Å; V85-L103 HydrophobicContact CG1-CD1 4.49Å; V85-L103 HydrophobicContact CG1-CG 4.2Å; V85-L310 HydrophobicContact CG2-CD2 3.74Å; V85-F314 HydrophobicContact CG1-CE1 4.16Å; V85-F314 HydrophobicContact CG1-CZ 4.06Å
86	L	92.5	Very high	90.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.			trans	-95.5	61.2	-177.1	-60.5	-167	0	0	0	112.2	V59 V82 W309 F314 L336 A337 L340 Y342	V59-L86 WeakPolarHBondContact CG2-O 3.32Å; V82-L86 VanDerWaalsContact O-CB 3.29Å; V82-L86 WeakPolarHBondContact O-CB 3.13Å; V82-L86 PolarHBondContact O-N 3.47Å; L86-W309 HydrophobicContact CD1-CH2 3.76Å; L86-W309 HydrophobicContact CD1-CZ2 3.4Å; L86-W309 HydrophobicContact CD2-CZ2 4.46Å; L86-W309 HydrophobicContact CG-CH2 4.43Å; L86-W309 HydrophobicContact CG-CZ2 3.62Å; L86-F314 HydrophobicContact CD2-CE1 4.2Å; L86-F314 HydrophobicContact CD2-CZ 4.01Å; L86-L336 HydrophobicContact CB-CD2 4.46Å; L86-L336 HydrophobicContact CD1-CD2 4.5Å; L86-L336 HydrophobicContact CD1-CG 4.35Å; L86-A337 HydrophobicContact CD1-CB 3.88Å; L86-L340 HydrophobicContact CB-CD1 3.81Å; L86-L340 WeakPolarHBondContact O-CD1 3.42Å; L86-Y342 HydrophobicContact CD2-CD1 3.95Å; L86-Y342 HydrophobicContact CD2-CD2 3.42Å; L86-Y342 VanDerWaalsContact CD2-CD2 3.42Å; L86-Y342 HydrophobicContact CD2-CE1 4.16Å; L86-Y342 HydrophobicContact CD2-CE2 3.65Å; L86-Y342 HydrophobicContact CD2-CG 3.54Å
87	N	87.3	Confident	89.9	Confident	74 Å²	74	48.9 Å²	48.9	40%	0.396	27%	0.27	S	S	.	.	S	Bend	trans	-98	-8.7	-176	65.3	37.2	0	0	0	114.3	S84 V85	S84-N87 PolarHBondContact O-ND2 2.93Å; V85-N87 PolarHBondContact O-N 3.27Å
88	R	87.6	Confident	89.7	Confident	91 Å²	91	48.8 Å²	48.8	34%	0.343	27%	0.272	S	S	.	.	S	Bend	trans	-149.9	158.7	-176.3	61.2	-168	158	168.1	-4	111.8	D106 Y342	R88-D106 IonicContact CZ-OD1 3.72Å; R88-D106 IonicContact CZ-OD2 3.2Å; R88-D106 IonicContact NE-OD2 2.66Å; R88-D106 PolarHBondContact NE-OD2 3.45Å; R88-D106 VanDerWaalsContact NH2-CG 3.33Å; R88-D106 IonicContact NH2-OD1 2.84Å; R88-D106 PolarHBondContact NH2-OD1 2.92Å; R88-D106 IonicContact NH2-OD2 3.16Å; R88-D106 PolarHBondContact NH2-OD2 3.21Å; R88-Y342 VanDerWaalsContact O-CE2 3.31Å; R88-Y342 WeakPolarHBondContact O-CE2 3.49Å
89	K	89.9	Confident	89.3	Confident	156 Å²	156	49 Å²	49	68%	0.678	27%	0.274	S	S	*	.			trans	-79.8	140.3	176	-173.1	175	-178.8	179.7	0	110.6	L340	K89-L340 HydrophobicContact CB-CD2 4.13Å
90	T	89	Confident	89	Confident	26 Å²	26	49.4 Å²	49.4	16%	0.16	28%	0.276	C	S	.	.			trans	-68.6	140.1	174.7	61.7	0	0	0	0	111.2	A92 T99 L340 G341 Y342	T90-A92 PolarHBondContact OG1-O 3.36Å; T90-T99 HydrophobicContact CG2-CG2 3.71Å; T90-L340 PolarHBondContact N-O 3.43Å; T90-L340 PolarHBondContact OG1-O 3.01Å; T90-G341 WeakPolarHBondContact OG1-CA 3.34Å; T90-G341 PolarHBondContact OG1-O 3.09Å; T90-Y342 HydrophobicContact CG2-CD1 3.83Å; T90-Y342 HydrophobicContact CG2-CD2 3.76Å; T90-Y342 HydrophobicContact CG2-CE1 3.6Å; T90-Y342 HydrophobicContact CG2-CE2 3.51Å; T90-Y342 HydrophobicContact CG2-CG 3.94Å; T90-Y342 VanDerWaalsContact CG2-CZ 3.44Å
91	S	82.4	Confident	88.7	Confident	112 Å²	112	47.5 Å²	47.5	78%	0.783	27%	0.272	S	S	*	.	S	Bend	trans	-92.6	-14.3	175.9	57.4	0	0	0	0	113.2
92	A	83.9	Confident	88.5	Confident	36 Å²	36	49.4 Å²	49.4	30%	0.298	28%	0.282	S	S	.	.	S	Bend	trans	-134	179.7	-176.2	0	0	0	0	0	110.4	T90 D96	T90-A92 PolarHBondContact OG1-O 3.36Å; A92-D96 HydrophobicContact CB-CB 3.67Å
93	S	85.2	Confident	88.2	Confident	83 Å²	83	49.4 Å²	49.4	58%	0.58	28%	0.282	S	S	*	.			trans	-55	151.5	172.9	-178.3	0	0	0	0	111.2	D95 D96 T99	S93-D95 PolarHBondContact O-N 3.24Å; S93-D96 WeakPolarHBondContact O-CB 3.44Å; S93-D96 PolarHBondContact O-N 3.49Å; S93-T99 PolarHBondContact O-OG1 3.35Å
94	R	84.3	Confident	88.1	Confident	13 Å²	13	48.7 Å²	48.7	5%	0.049	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-36	176.2	171.3	55.9	-171.4	117	-6.8	112.7	D96 L103 G312 F314 Y342 R344	R94-D96 VanDerWaalsContact C-N 3.28Å; R94-L103 VanDerWaalsContact NH2-CD1 3.32Å; R94-G312 PolarHBondContact NH2-O 3.08Å; R94-F314 VanDerWaalsContact NH2-CE2 3.29Å; R94-Y342 WeakPolarHBondContact CD-O 3.47Å; R94-Y342 WeakPolarHBondContact CG-O 3.26Å; R94-Y342 PolarHBondContact NE-O 3.39Å; R94-R344 HydrophobicContact CG-CG 4.23Å
95	D	83.1	Confident	88.1	Confident	78 Å²	78	49.7 Å²	49.7	42%	0.417	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	3.4	-179.2	-70.3	-19.4	0	0	0	113.3	S93 R344 K363	S93-D95 PolarHBondContact O-N 3.24Å; D95-R344 IonicContact OD1-CZ 3.57Å; D95-R344 IonicContact OD1-NE 3.81Å; D95-R344 PolarHBondContact OD1-NE 3.47Å; D95-R344 IonicContact OD1-NH2 3.14Å; D95-R344 PolarHBondContact OD1-NH2 3Å; D95-R344 IonicContact OD2-NE 2.9Å; D95-K363 IonicContact OD2-NZ 2.69Å
96	D	87.3	Confident	88.2	Confident	58 Å²	58	50.1 Å²	50.1	31%	0.31	28%	0.281	S	S	.	.	S	Bend	trans	-69.8	140.1	176.9	-170	78.9	0	0	0	111.4	A92 S93 R94 T98 T99 T100	A92-D96 HydrophobicContact CB-CB 3.67Å; S93-D96 WeakPolarHBondContact O-CB 3.44Å; S93-D96 PolarHBondContact O-N 3.49Å; R94-D96 VanDerWaalsContact C-N 3.28Å; D96-T98 PolarHBondContact O-N 3.32Å; D96-T98 WeakPolarHBondContact OD2-CA 3.44Å; D96-T98 WeakPolarHBondContact OD2-CB 3.29Å; D96-T98 PolarHBondContact OD2-N 3.37Å; D96-T98 PolarHBondContact OD2-OG1 3.11Å; D96-T99 WeakPolarHBondContact O-CB 3.43Å; D96-T99 PolarHBondContact O-N 3.33Å; D96-T100 PolarHBondContact O-N 2.84Å; D96-T100 PolarHBondContact O-OG1 3.47Å
97	L	85.1	Confident	88.3	Confident	87 Å²	87	50.1 Å²	50.1	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-52.1	-38.4	176.1	-89.2	164.5	0	0	0	112.7	T100 A101 T273 D274	L97-T100 PolarHBondContact O-N 3.16Å; L97-A101 WeakPolarHBondContact O-CB 3.4Å; L97-A101 PolarHBondContact O-N 2.97Å; L97-T273 HydrophobicContact CD2-CG2 4.21Å; L97-D274 VanDerWaalsContact CD2-CG 3.41Å; L97-D274 WeakPolarHBondContact CD2-OD1 3.46Å; L97-D274 WeakPolarHBondContact CD2-OD2 3.29Å
98	T	87.8	Confident	88.7	Confident	75 Å²	75	46.6 Å²	46.6	46%	0.46	26%	0.262	S	S	.	.	H	α-helix	trans	-67.4	-41.5	178.8	-42.6	0	0	0	0	111.1	D96 T100 A101 N102	D96-T98 PolarHBondContact O-N 3.32Å; D96-T98 WeakPolarHBondContact OD2-CA 3.44Å; D96-T98 WeakPolarHBondContact OD2-CB 3.29Å; D96-T98 PolarHBondContact OD2-N 3.37Å; D96-T98 PolarHBondContact OD2-OG1 3.11Å; T98-T100 VanDerWaalsContact C-N 3.35Å; T98-A101 PolarHBondContact O-N 2.86Å; T98-N102 WeakPolarHBondContact O-CB 3.38Å; T98-N102 VanDerWaalsContact O-CG 3.23Å; T98-N102 PolarHBondContact O-N 3.37Å; T98-N102 PolarHBondContact O-ND2 3.37Å
99	T	88.6	Confident	89	Confident	4 Å²	4	47.1 Å²	47.1	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-43	176.7	-56.6	0	0	0	0	110.6	T90 S93 D96 L103 Y342	T90-T99 HydrophobicContact CG2-CG2 3.71Å; S93-T99 PolarHBondContact O-OG1 3.35Å; D96-T99 WeakPolarHBondContact O-CB 3.43Å; D96-T99 PolarHBondContact O-N 3.33Å; T99-L103 WeakPolarHBondContact O-CB 3.37Å; T99-L103 PolarHBondContact O-N 3.29Å; T99-Y342 HydrophobicContact CG2-CD1 4.38Å; T99-Y342 HydrophobicContact CG2-CE1 4.11Å
100	T	88.8	Confident	89.3	Confident	10 Å²	10	41.4 Å²	41.4	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-44.7	175.6	-61	0	0	0	0	111.9	D96 L97 T98 N102 L103 V104 T273 F277	D96-T100 PolarHBondContact O-N 2.84Å; D96-T100 PolarHBondContact O-OG1 3.47Å; L97-T100 PolarHBondContact O-N 3.16Å; T98-T100 VanDerWaalsContact C-N 3.35Å; T100-N102 PolarHBondContact O-N 3.05Å; T100-L103 PolarHBondContact O-N 3.2Å; T100-V104 HydrophobicContact CG2-CG2 4.46Å; T100-V104 WeakPolarHBondContact O-CG2 3.25Å; T100-V104 PolarHBondContact O-N 2.89Å; T100-T273 HydrophobicContact CG2-CG2 3.65Å; T100-F277 HydrophobicContact CG2-CD1 3.52Å; T100-F277 HydrophobicContact CG2-CD2 4.47Å; T100-F277 HydrophobicContact CG2-CE1 3.64Å; T100-F277 HydrophobicContact CG2-CG 3.96Å; T100-F277 HydrophobicContact CG2-CZ 4.19Å
101	A	88.8	Confident	89.6	Confident	41 Å²	41	40.2 Å²	40.2	34%	0.339	23%	0.234	S	C	.	.	H	α-helix	trans	-61.3	-43.4	177.8	0	0	0	0	0	112.3	L97 T98 V104 E105	L97-A101 WeakPolarHBondContact O-CB 3.4Å; L97-A101 PolarHBondContact O-N 2.97Å; T98-A101 PolarHBondContact O-N 2.86Å; A101-V104 PolarHBondContact O-N 3.29Å; A101-E105 WeakPolarHBondContact O-CB 3.13Å; A101-E105 PolarHBondContact O-N 2.99Å
102	N	90.5	Very high	90.2	Very high	42 Å²	42	35.9 Å²	35.9	23%	0.225	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-43	175.6	-74.2	-23.5	0	0	0	111.8	T98 T100 E105 D106	T98-N102 WeakPolarHBondContact O-CB 3.38Å; T98-N102 VanDerWaalsContact O-CG 3.23Å; T98-N102 PolarHBondContact O-N 3.37Å; T98-N102 PolarHBondContact O-ND2 3.37Å; T100-N102 PolarHBondContact O-N 3.05Å; N102-E105 PolarHBondContact O-N 3.4Å; N102-D106 WeakPolarHBondContact O-CB 3.47Å; N102-D106 VanDerWaalsContact O-CG 3.25Å; N102-D106 PolarHBondContact O-N 3.48Å
103	L	91.6	Very high	90.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-45.4	177.1	178.5	153.6	0	0	0	111.9	V85 R94 T99 T100 E105 D106 A107 F277 F314	V85-L103 HydrophobicContact CG1-CD1 4.49Å; V85-L103 HydrophobicContact CG1-CG 4.2Å; R94-L103 VanDerWaalsContact NH2-CD1 3.32Å; T99-L103 WeakPolarHBondContact O-CB 3.37Å; T99-L103 PolarHBondContact O-N 3.29Å; T100-L103 PolarHBondContact O-N 3.2Å; L103-E105 VanDerWaalsContact C-N 3.32Å; L103-E105 PolarHBondContact O-N 3.43Å; L103-D106 PolarHBondContact O-N 3.33Å; L103-A107 VanDerWaalsContact O-CB 3.3Å; L103-A107 WeakPolarHBondContact O-CB 3.43Å; L103-A107 PolarHBondContact O-N 3.28Å; L103-F277 HydrophobicContact CD2-CE2 4.15Å; L103-F277 HydrophobicContact CD2-CZ 3.81Å; L103-F314 HydrophobicContact CD1-CE1 4.39Å; L103-F314 HydrophobicContact CD1-CE2 3.57Å; L103-F314 HydrophobicContact CD1-CZ 3.3Å; L103-F314 HydrophobicContact CG-CZ 4.43Å
104	V	92.3	Very high	91.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-41.7	177.8	168.1	0	0	0	0	110.7	T100 A101 C108 L263 L266 H267 F277	T100-V104 HydrophobicContact CG2-CG2 4.46Å; T100-V104 WeakPolarHBondContact O-CG2 3.25Å; T100-V104 PolarHBondContact O-N 2.89Å; A101-V104 PolarHBondContact O-N 3.29Å; V104-C108 WeakPolarHBondContact O-CB 3.32Å; V104-C108 PolarHBondContact O-N 3.29Å; V104-C108 PolarHBondContact O-SG 3.11Å; V104-L263 WeakPolarHBondContact CG1-O 3.49Å; V104-L266 HydrophobicContact CG1-CB 3.89Å; V104-L266 HydrophobicContact CG2-CB 4.49Å; V104-L266 HydrophobicContact CG2-CD1 4.49Å; V104-H267 HydrophobicContact CG1-CB 3.9Å; V104-F277 HydrophobicContact CG2-CD2 3.96Å; V104-F277 HydrophobicContact CG2-CE2 3.81Å
105	E	92.2	Very high	91.6	Very high	56 Å²	56	35.2 Å²	35.2	26%	0.262	20%	0.196	S	C	.	.	H	α-helix	trans	-60.7	-49.4	174.6	176.1	-179.5	-171.1	0	0	111.9	A101 N102 L103 C108 K109	A101-E105 WeakPolarHBondContact O-CB 3.13Å; A101-E105 PolarHBondContact O-N 2.99Å; N102-E105 PolarHBondContact O-N 3.4Å; L103-E105 VanDerWaalsContact C-N 3.32Å; L103-E105 PolarHBondContact O-N 3.43Å; E105-C108 PolarHBondContact O-N 2.98Å; E105-K109 HydrophobicContact CG-CD 4.26Å; E105-K109 WeakPolarHBondContact O-CG 3.3Å; E105-K109 PolarHBondContact O-N 3.22Å; E105-K109 VanDerWaalsContact OE1-CE 3.25Å; E105-K109 WeakPolarHBondContact OE1-CE 3.29Å; E105-K109 IonicContact OE1-NZ 2.69Å; E105-K109 PolarHBondContact OE1-NZ 3.42Å
106	D	94	Very high	92.2	Very high	10 Å²	10	33 Å²	33	5%	0.053	19%	0.185	C	C	.	.	H	α-helix	trans	-65.7	-40.7	-178.2	-67.6	-31.7	0	0	0	111.2	R88 N102 L103 K109 Y110	R88-D106 IonicContact CZ-OD1 3.72Å; R88-D106 IonicContact CZ-OD2 3.2Å; R88-D106 IonicContact NE-OD2 2.66Å; R88-D106 PolarHBondContact NE-OD2 3.45Å; R88-D106 VanDerWaalsContact NH2-CG 3.33Å; R88-D106 IonicContact NH2-OD1 2.84Å; R88-D106 PolarHBondContact NH2-OD1 2.92Å; R88-D106 IonicContact NH2-OD2 3.16Å; R88-D106 PolarHBondContact NH2-OD2 3.21Å; N102-D106 WeakPolarHBondContact O-CB 3.47Å; N102-D106 VanDerWaalsContact O-CG 3.25Å; N102-D106 PolarHBondContact O-N 3.48Å; L103-D106 PolarHBondContact O-N 3.33Å; D106-K109 PolarHBondContact O-N 2.99Å; D106-Y110 WeakPolarHBondContact O-CB 3.42Å; D106-Y110 PolarHBondContact O-N 3.1Å
107	A	94.8	Very high	92.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-41.3	173.5	0	0	0	0	0	112.4	L103 Y110 L111 L263 L310	L103-A107 VanDerWaalsContact O-CB 3.3Å; L103-A107 WeakPolarHBondContact O-CB 3.43Å; L103-A107 PolarHBondContact O-N 3.28Å; A107-Y110 PolarHBondContact O-N 2.88Å; A107-L111 WeakPolarHBondContact O-CB 3.1Å; A107-L111 VanDerWaalsContact O-CG 3.28Å; A107-L111 WeakPolarHBondContact O-CG 3.39Å; A107-L111 PolarHBondContact O-N 3.46Å; A107-L263 HydrophobicContact CB-CD1 3.78Å; A107-L310 HydrophobicContact CB-CB 4.45Å; A107-L310 HydrophobicContact CB-CD2 4.1Å
108	C	94.8	Very high	92.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-45.1	176.5	-73.2	0	0	0	0	111.8	V104 E105 Y110 L111 Q112	V104-C108 WeakPolarHBondContact O-CB 3.32Å; V104-C108 PolarHBondContact O-N 3.29Å; V104-C108 PolarHBondContact O-SG 3.11Å; E105-C108 PolarHBondContact O-N 2.98Å; C108-Y110 VanDerWaalsContact C-N 3.31Å; C108-Y110 PolarHBondContact O-N 3.42Å; C108-L111 PolarHBondContact O-N 3.28Å; C108-Q112 WeakPolarHBondContact O-CB 3.44Å; C108-Q112 WeakPolarHBondContact O-CG 3.49Å; C108-Q112 PolarHBondContact O-N 3.43Å; C108-Q112 PolarHBondContact O-OE1 3.33Å
109	K	94.9	Very high	93.1	Very high	101 Å²	101	32.9 Å²	32.9	44%	0.439	18%	0.175	S	C	.	.	H	α-helix	trans	-59.9	-43.4	176.5	-74.9	175.1	-174.8	165.6	0	111.7	E105 D106 Q112 A113	E105-K109 HydrophobicContact CG-CD 4.26Å; E105-K109 WeakPolarHBondContact O-CG 3.3Å; E105-K109 PolarHBondContact O-N 3.22Å; E105-K109 VanDerWaalsContact OE1-CE 3.25Å; E105-K109 WeakPolarHBondContact OE1-CE 3.29Å; E105-K109 IonicContact OE1-NZ 2.69Å; E105-K109 PolarHBondContact OE1-NZ 3.42Å; D106-K109 PolarHBondContact O-N 2.99Å; K109-Q112 PolarHBondContact O-N 2.93Å; K109-A113 PolarHBondContact O-N 2.9Å
110	Y	95.4	Very high	93.2	Very high	36 Å²	36	36.2 Å²	36.2	14%	0.141	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-52.9	175.7	172.3	-115.1	0	0	0	111.7	N80 D81 S84 D106 A107 C108 Q112 A113 V114 L310	N80-Y110 HydrophobicContact CB-CE2 4.45Å; D81-Y110 WeakPolarHBondContact OD1-CE1 3.2Å; D81-Y110 PolarHBondContact OD1-OH 3.1Å; S84-Y110 VanDerWaalsContact CB-CD2 3.4Å; S84-Y110 WeakPolarHBondContact OG-CD2 3.42Å; S84-Y110 WeakPolarHBondContact OG-CE2 3.33Å; D106-Y110 WeakPolarHBondContact O-CB 3.42Å; D106-Y110 PolarHBondContact O-N 3.1Å; A107-Y110 PolarHBondContact O-N 2.88Å; C108-Y110 VanDerWaalsContact C-N 3.31Å; C108-Y110 PolarHBondContact O-N 3.42Å; Y110-Q112 PolarHBondContact O-N 2.96Å; Y110-A113 WeakPolarHBondContact O-CB 3.4Å; Y110-A113 PolarHBondContact O-N 3.27Å; Y110-V114 HydrophobicContact CD2-CG2 4.06Å; Y110-V114 HydrophobicContact CE1-CG2 4.1Å; Y110-V114 HydrophobicContact CE2-CG2 3.59Å; Y110-V114 WeakPolarHBondContact O-CG2 3.44Å; Y110-V114 PolarHBondContact O-N 3.01Å; Y110-L310 HydrophobicContact CD1-CD1 4.36Å; Y110-L310 HydrophobicContact CD1-CD2 3.86Å; Y110-L310 HydrophobicContact CE1-CD1 4.41Å; Y110-L310 HydrophobicContact CE1-CD2 4.25Å
111	L	95.6	Very high	93.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-35.5	178.8	-71.9	167.4	0	0	0	112.4	A107 C108 F115 R175 E256 I259 W260 L263 L310	A107-L111 WeakPolarHBondContact O-CB 3.1Å; A107-L111 VanDerWaalsContact O-CG 3.28Å; A107-L111 WeakPolarHBondContact O-CG 3.39Å; A107-L111 PolarHBondContact O-N 3.46Å; C108-L111 PolarHBondContact O-N 3.28Å; L111-F115 PolarHBondContact O-N 3.09Å; L111-F115 VanDerWaalsContact O-N 3.14Å; L111-R175 VanDerWaalsContact C-NH1 3.32Å; L111-R175 PolarHBondContact O-NH1 3.21Å; L111-R175 PolarHBondContact O-NH2 3.08Å; L111-E256 HydrophobicContact CD2-CB 3.87Å; L111-E256 HydrophobicContact CD2-CG 4.24Å; L111-I259 HydrophobicContact CD1-CB 4.31Å; L111-I259 HydrophobicContact CD1-CG2 3.87Å; L111-W260 HydrophobicContact CB-CB 4.47Å; L111-W260 HydrophobicContact CD1-CB 4Å; L111-L263 HydrophobicContact CD1-CD1 4.45Å; L111-L310 HydrophobicContact CD1-CD1 4.2Å; L111-L310 HydrophobicContact CD2-CD1 3.75Å; L111-L310 HydrophobicContact CG-CD1 4.05Å
112	Q	95.4	Very high	93.5	Very high	21 Å²	21	37.5 Å²	37.5	10%	0.098	19%	0.193	C	C	.	.	H	α-helix	trans	-66.9	-40.2	174.4	-73.9	164.8	-22.6	0	0	112.3	C108 K109 Y110 F115 T116 R175 G177	C108-Q112 WeakPolarHBondContact O-CB 3.44Å; C108-Q112 WeakPolarHBondContact O-CG 3.49Å; C108-Q112 PolarHBondContact O-N 3.43Å; C108-Q112 PolarHBondContact O-OE1 3.33Å; K109-Q112 PolarHBondContact O-N 2.93Å; Y110-Q112 PolarHBondContact O-N 2.96Å; Q112-F115 PolarHBondContact O-N 3.35Å; Q112-T116 PolarHBondContact O-N 3.25Å; Q112-T116 PolarHBondContact O-OG1 2.84Å; Q112-R175 WeakPolarHBondContact CG-O 3.27Å; Q112-G177 VanDerWaalsContact CD-CA 3.44Å; Q112-G177 VanDerWaalsContact NE2-CA 3.33Å
113	A	95.1	Very high	93.5	Very high	56 Å²	56	35.5 Å²	35.5	46%	0.463	18%	0.183	S	C	.	.	H	α-helix	trans	-64.8	-48.6	175.4	0	0	0	0	0	111.4	K109 Y110 F115 T116 E117	K109-A113 PolarHBondContact O-N 2.9Å; Y110-A113 WeakPolarHBondContact O-CB 3.4Å; Y110-A113 PolarHBondContact O-N 3.27Å; A113-F115 VanDerWaalsContact C-N 3.26Å; A113-F115 PolarHBondContact O-N 3.17Å; A113-T116 WeakPolarHBondContact O-CB 3.35Å; A113-T116 PolarHBondContact O-N 3.29Å; A113-E117 PolarHBondContact O-N 3.4Å
114	V	93.4	Very high	93.5	Very high	43 Å²	43	41 Å²	41	26%	0.261	21%	0.208	S	C	.	.	H	α-helix	trans	-54.3	-43.5	176	171.8	0	0	0	0	111.2	Y110 E117 H118 E256	Y110-V114 HydrophobicContact CD2-CG2 4.06Å; Y110-V114 HydrophobicContact CE1-CG2 4.1Å; Y110-V114 HydrophobicContact CE2-CG2 3.59Å; Y110-V114 WeakPolarHBondContact O-CG2 3.44Å; Y110-V114 PolarHBondContact O-N 3.01Å; V114-E117 PolarHBondContact O-N 3.27Å; V114-H118 WeakPolarHBondContact O-CB 3.37Å; V114-H118 PolarHBondContact O-N 3.49Å; V114-E256 HydrophobicContact CG1-CG 4.38Å
115	F	94.5	Very high	93.4	Very high	20 Å²	20	50.3 Å²	50.3	9%	0.088	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-37.9	177.3	-177	-104.4	0	0	0	113.3	L111 Q112 A113 H118 M119 H172 R175 A176	L111-F115 PolarHBondContact O-N 3.09Å; L111-F115 VanDerWaalsContact O-N 3.14Å; Q112-F115 PolarHBondContact O-N 3.35Å; A113-F115 VanDerWaalsContact C-N 3.26Å; A113-F115 PolarHBondContact O-N 3.17Å; F115-H118 PolarHBondContact O-N 2.91Å; F115-M119 HydrophobicContact CD1-CE 3.76Å; F115-M119 HydrophobicContact CD1-CG 4.45Å; F115-M119 HydrophobicContact CD1-SD 4.23Å; F115-M119 HydrophobicContact CE1-CE 3.66Å; F115-M119 HydrophobicContact CE1-CG 4.11Å; F115-M119 HydrophobicContact CE1-SD 3.59Å; F115-M119 VanDerWaalsContact CE1-SD 3.59Å; F115-M119 HydrophobicContact CZ-CG 4.27Å; F115-M119 HydrophobicContact CZ-SD 4.08Å; F115-M119 WeakPolarHBondContact O-CG 3.28Å; F115-M119 PolarHBondContact O-N 3.35Å; F115-H172 HydrophobicContact CE1-CB 4.47Å; F115-H172 AromaticContact CZ-CD2 3.6Å; F115-R175 HydrophobicContact CB-CG 4.39Å; F115-R175 HydrophobicContact CD1-CB 4.03Å; F115-R175 HydrophobicContact CD1-CG 3.49Å; F115-R175 VanDerWaalsContact CD1-CG 3.49Å; F115-R175 HydrophobicContact CD2-CG 3.87Å; F115-R175 HydrophobicContact CE1-CB 3.81Å; F115-R175 HydrophobicContact CE1-CG 3.52Å; F115-R175 HydrophobicContact CE2-CG 3.92Å; F115-R175 HydrophobicContact CG-CG 3.65Å; F115-R175 HydrophobicContact CZ-CB 4.27Å; F115-R175 HydrophobicContact CZ-CG 3.73Å; F115-A176 HydrophobicContact CD1-CB 4.27Å
116	T	94.8	Very high	93.2	Very high	30 Å²	30	50.8 Å²	50.8	18%	0.184	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-42.5	176.9	-58.5	0	0	0	0	111	Q112 A113 M119 Q120 L141	Q112-T116 PolarHBondContact O-N 3.25Å; Q112-T116 PolarHBondContact O-OG1 2.84Å; A113-T116 WeakPolarHBondContact O-CB 3.35Å; A113-T116 PolarHBondContact O-N 3.29Å; T116-M119 PolarHBondContact O-N 3.32Å; T116-Q120 VanDerWaalsContact O-CG 3.31Å; T116-Q120 WeakPolarHBondContact O-CG 3.43Å; T116-Q120 PolarHBondContact O-N 2.95Å; T116-L141 HydrophobicContact CG2-CD2 3.97Å
117	E	93.5	Very high	92.8	Very high	121 Å²	121	55.5 Å²	55.5	57%	0.565	27%	0.273	S	S	*	.	H	α-helix	trans	-64.4	-40.4	175.2	-176.6	175.3	-173.4	0	0	112.1	A113 V114 M119 Q120 T121	A113-E117 PolarHBondContact O-N 3.4Å; V114-E117 PolarHBondContact O-N 3.27Å; E117-M119 PolarHBondContact O-N 3.07Å; E117-Q120 WeakPolarHBondContact O-CB 3.39Å; E117-Q120 PolarHBondContact O-N 3.35Å; E117-T121 WeakPolarHBondContact O-CB 3.44Å; E117-T121 PolarHBondContact O-N 3.35Å; E117-T121 PolarHBondContact O-OG1 3.5Å
118	H	92.4	Very high	92.3	Very high	98 Å²	98	64.4 Å²	64.4	45%	0.454	31%	0.314	S	S	.	.	H	α-helix	trans	-57.9	-49.2	172.4	173.4	73.2	0	0	0	111.5	V114 F115 Q120 T121 V122 F145	V114-H118 WeakPolarHBondContact O-CB 3.37Å; V114-H118 PolarHBondContact O-N 3.49Å; F115-H118 PolarHBondContact O-N 2.91Å; H118-Q120 VanDerWaalsContact C-N 3.32Å; H118-Q120 PolarHBondContact O-N 3.24Å; H118-T121 PolarHBondContact O-N 2.92Å; H118-V122 WeakPolarHBondContact O-CG2 3.39Å; H118-V122 PolarHBondContact O-N 2.87Å; H118-F145 AromaticContact NE2-CE2 3.98Å
119	M	92.8	Very high	91.8	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60	-42.2	176.8	-71.3	-168.9	-65.4	0	0	111.9	F115 T116 E117 V122 V123 L141 V142 F145 A176	F115-M119 HydrophobicContact CD1-CE 3.76Å; F115-M119 HydrophobicContact CD1-CG 4.45Å; F115-M119 HydrophobicContact CD1-SD 4.23Å; F115-M119 HydrophobicContact CE1-CE 3.66Å; F115-M119 HydrophobicContact CE1-CG 4.11Å; F115-M119 HydrophobicContact CE1-SD 3.59Å; F115-M119 VanDerWaalsContact CE1-SD 3.59Å; F115-M119 HydrophobicContact CZ-CG 4.27Å; F115-M119 HydrophobicContact CZ-SD 4.08Å; F115-M119 WeakPolarHBondContact O-CG 3.28Å; F115-M119 PolarHBondContact O-N 3.35Å; T116-M119 PolarHBondContact O-N 3.32Å; E117-M119 PolarHBondContact O-N 3.07Å; M119-V122 PolarHBondContact O-N 2.77Å; M119-V123 WeakPolarHBondContact O-CB 3.39Å; M119-V123 VanDerWaalsContact O-CG2 3.32Å; M119-V123 WeakPolarHBondContact O-CG2 3.48Å; M119-V123 PolarHBondContact O-N 3.3Å; M119-L141 HydrophobicContact CB-CD1 4.34Å; M119-L141 HydrophobicContact CB-CD2 4.14Å; M119-L141 HydrophobicContact CB-CG 4.13Å; M119-L141 HydrophobicContact CE-CD2 4.18Å; M119-V142 HydrophobicContact CE-CG2 4.21Å; M119-V142 HydrophobicContact SD-CG2 4.01Å; M119-F145 HydrophobicContact CB-CB 4.31Å; M119-F145 HydrophobicContact CB-CD2 3.97Å; M119-F145 HydrophobicContact CB-CE2 4.48Å; M119-F145 HydrophobicContact CB-CG 4.1Å; M119-F145 HydrophobicContact CG-CB 4.29Å; M119-F145 HydrophobicContact CG-CD1 3.91Å; M119-F145 HydrophobicContact CG-CD2 3.83Å; M119-F145 HydrophobicContact CG-CE1 4.16Å; M119-F145 HydrophobicContact CG-CE2 4.07Å; M119-F145 HydrophobicContact CG-CG 3.73Å; M119-F145 HydrophobicContact CG-CZ 4.23Å; M119-F145 HydrophobicContact SD-CB 4.37Å; M119-F145 HydrophobicContact SD-CD1 4.02Å; M119-F145 HydrophobicContact SD-CG 4.16Å; M119-A176 HydrophobicContact CE-CB 3.8Å
120	Q	92.5	Very high	91.1	Very high	73 Å²	73	63.5 Å²	63.5	34%	0.341	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-49.4	176	-72.7	170.5	0.1	0	0	111.1	T116 E117 H118 V122 V123 E124 L141	T116-Q120 VanDerWaalsContact O-CG 3.31Å; T116-Q120 WeakPolarHBondContact O-CG 3.43Å; T116-Q120 PolarHBondContact O-N 2.95Å; E117-Q120 WeakPolarHBondContact O-CB 3.39Å; E117-Q120 PolarHBondContact O-N 3.35Å; H118-Q120 VanDerWaalsContact C-N 3.32Å; H118-Q120 PolarHBondContact O-N 3.24Å; Q120-V122 VanDerWaalsContact C-N 3.35Å; Q120-V122 PolarHBondContact O-N 3.48Å; Q120-V123 PolarHBondContact O-N 3.43Å; Q120-E124 WeakPolarHBondContact O-CB 3.05Å; Q120-E124 VanDerWaalsContact O-CG 3.28Å; Q120-E124 WeakPolarHBondContact O-CG 3.15Å; Q120-E124 PolarHBondContact O-N 3.5Å; Q120-L141 HydrophobicContact CG-CD1 3.94Å; Q120-L141 HydrophobicContact CG-CD2 3.68Å; Q120-L141 HydrophobicContact CG-CG 4.48Å
121	T	92.3	Very high	90.5	Very high	45 Å²	45	68.1 Å²	68.1	28%	0.276	34%	0.339	S	S	.	.	H	α-helix	trans	-59.4	-43.9	179.6	-59.5	0	0	0	0	111.9	E117 H118 E124 R125	E117-T121 WeakPolarHBondContact O-CB 3.44Å; E117-T121 PolarHBondContact O-N 3.35Å; E117-T121 PolarHBondContact O-OG1 3.5Å; H118-T121 PolarHBondContact O-N 2.92Å; T121-E124 PolarHBondContact O-N 2.97Å; T121-R125 WeakPolarHBondContact O-CB 3.5Å; T121-R125 VanDerWaalsContact O-CG 3.25Å; T121-R125 WeakPolarHBondContact O-CG 3.29Å; T121-R125 PolarHBondContact O-N 3.07Å
122	V	90.9	Very high	89.6	Confident	33 Å²	33	73 Å²	73	20%	0.2	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-42.5	178.3	170.4	0	0	0	0	111.3	H118 M119 Q120 R125 N126 F145 V148	H118-V122 WeakPolarHBondContact O-CG2 3.39Å; H118-V122 PolarHBondContact O-N 2.87Å; M119-V122 PolarHBondContact O-N 2.77Å; Q120-V122 VanDerWaalsContact C-N 3.35Å; Q120-V122 PolarHBondContact O-N 3.48Å; V122-R125 PolarHBondContact O-N 2.94Å; V122-N126 PolarHBondContact O-N 3.24Å; V122-N126 PolarHBondContact O-ND2 2.93Å; V122-F145 HydrophobicContact CB-CD2 3.88Å; V122-F145 HydrophobicContact CB-CE2 3.81Å; V122-F145 HydrophobicContact CG1-CD2 3.79Å; V122-F145 HydrophobicContact CG1-CE2 3.77Å; V122-F145 HydrophobicContact CG2-CE2 4.02Å; V122-V148 HydrophobicContact CG1-CB 4.37Å; V122-V148 HydrophobicContact CG1-CG1 3.83Å
123	V	91.2	Very high	88.5	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-65.9	-43.7	177.4	166.2	0	0	0	0	111.6	M119 Q120 R125 N126 L127 A130 R132 L141 A144 F145	M119-V123 WeakPolarHBondContact O-CB 3.39Å; M119-V123 VanDerWaalsContact O-CG2 3.32Å; M119-V123 WeakPolarHBondContact O-CG2 3.48Å; M119-V123 PolarHBondContact O-N 3.3Å; Q120-V123 PolarHBondContact O-N 3.43Å; V123-R125 VanDerWaalsContact C-N 3.29Å; V123-R125 PolarHBondContact O-N 3.39Å; V123-N126 CarbonylContact O-C 3.57Å; V123-N126 VanDerWaalsContact O-C 3.29Å; V123-N126 PolarHBondContact O-N 2.93Å; V123-N126 VanDerWaalsContact O-N 3.08Å; V123-L127 PolarHBondContact O-N 3.41Å; V123-A130 HydrophobicContact CB-CB 4.45Å; V123-A130 HydrophobicContact CG1-CB 3.84Å; V123-A130 HydrophobicContact CG2-CB 4.45Å; V123-R132 HydrophobicContact CG1-CB 4.34Å; V123-L141 HydrophobicContact CB-CD1 4.33Å; V123-L141 HydrophobicContact CG2-CD1 4.07Å; V123-A144 HydrophobicContact CG1-CB 4.07Å; V123-A144 HydrophobicContact CG2-CB 3.87Å; V123-F145 HydrophobicContact CG2-CB 3.94Å
124	E	90.2	Very high	87.2	Confident	115 Å²	115	76 Å²	76	54%	0.537	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-31.7	179.2	-74.6	171.9	-172.1	0	0	112.8	Q120 T121 N126 L127	Q120-E124 WeakPolarHBondContact O-CB 3.05Å; Q120-E124 VanDerWaalsContact O-CG 3.28Å; Q120-E124 WeakPolarHBondContact O-CG 3.15Å; Q120-E124 PolarHBondContact O-N 3.5Å; T121-E124 PolarHBondContact O-N 2.97Å; E124-N126 VanDerWaalsContact C-N 3.28Å; E124-N126 PolarHBondContact O-N 3.42Å; E124-L127 WeakPolarHBondContact O-CG 3.48Å
125	R	90.1	Very high	86.1	Confident	198 Å²	198	80.8 Å²	80.8	75%	0.747	42%	0.423	S	S	*	.	H	α-helix	trans	-75	-16.5	173.5	-72.2	176.2	-177.1	-175.4	3.4	113.6	T121 V122 V123	T121-R125 WeakPolarHBondContact O-CB 3.5Å; T121-R125 VanDerWaalsContact O-CG 3.25Å; T121-R125 WeakPolarHBondContact O-CG 3.29Å; T121-R125 PolarHBondContact O-N 3.07Å; V122-R125 PolarHBondContact O-N 2.94Å; V123-R125 VanDerWaalsContact C-N 3.29Å; V123-R125 PolarHBondContact O-N 3.39Å
126	N	88.5	Confident	85	Confident	66 Å²	66	85.3 Å²	85.3	35%	0.353	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	41.9	-172	-62.2	-81	0	0	0	112.2	V122 V123 E124 E128 V129 A130 V148	V122-N126 PolarHBondContact O-N 3.24Å; V122-N126 PolarHBondContact O-ND2 2.93Å; V123-N126 CarbonylContact O-C 3.57Å; V123-N126 VanDerWaalsContact O-C 3.29Å; V123-N126 PolarHBondContact O-N 2.93Å; V123-N126 VanDerWaalsContact O-N 3.08Å; E124-N126 VanDerWaalsContact C-N 3.28Å; E124-N126 PolarHBondContact O-N 3.42Å; N126-E128 VanDerWaalsContact C-N 3.26Å; N126-E128 PolarHBondContact O-N 3.45Å; N126-V129 PolarHBondContact O-N 2.9Å; N126-V129 VanDerWaalsContact O-N 3.16Å; N126-A130 VanDerWaalsContact O-CB 3.26Å; N126-A130 WeakPolarHBondContact O-CB 3.37Å; N126-A130 PolarHBondContact O-N 3.35Å; N126-V148 HydrophobicContact CB-CB 4.28Å; N126-V148 HydrophobicContact CB-CG1 3.51Å; N126-V148 HydrophobicContact CB-CG2 3.67Å
127	L	86.5	Confident	84.6	Confident	109 Å²	109	86 Å²	86	57%	0.571	47%	0.467	S	S	*	.	H	α-helix	trans	-56.6	-35.9	-171.7	-70.6	172.4	0	0	0	114.2	V123 E124 E131	V123-L127 PolarHBondContact O-N 3.41Å; E124-L127 WeakPolarHBondContact O-CG 3.48Å; L127-E131 PolarHBondContact O-N 2.93Å
128	E	83.6	Confident	84.3	Confident	187 Å²	187	81.8 Å²	81.8	87%	0.874	45%	0.449	S	S	*	.	H	α-helix	trans	-63.3	-42.1	-179.7	-64.1	-175.6	172.7	0	0	112.1	N126	N126-E128 VanDerWaalsContact C-N 3.26Å; N126-E128 PolarHBondContact O-N 3.45Å
129	V	83.9	Confident	84.1	Confident	81 Å²	81	80.2 Å²	80.2	49%	0.491	44%	0.44	S	S	.	.	H	α-helix	trans	-82.2	-36.3	179.5	-178.8	0	0	0	0	111.2	N126 E131 K147 V148	N126-V129 PolarHBondContact O-N 2.9Å; N126-V129 VanDerWaalsContact O-N 3.16Å; V129-E131 PolarHBondContact O-N 3.39Å; V129-K147 WeakPolarHBondContact CG1-O 3.47Å; V129-V148 HydrophobicContact CB-CG2 4.42Å; V129-V148 HydrophobicContact CG1-CG2 4.45Å
130	A	81.4	Confident	83.9	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	46%	0.455	C	S	.	.	H	α-helix	trans	-65.5	-29.2	-175.8	0	0	0	0	0	112.8	V123 N126 R132 A144 K147 V148	V123-A130 HydrophobicContact CB-CB 4.45Å; V123-A130 HydrophobicContact CG1-CB 3.84Å; V123-A130 HydrophobicContact CG2-CB 4.45Å; N126-A130 VanDerWaalsContact O-CB 3.26Å; N126-A130 WeakPolarHBondContact O-CB 3.37Å; N126-A130 PolarHBondContact O-N 3.35Å; A130-R132 PolarHBondContact O-N 3.2Å; A130-A144 HydrophobicContact CB-CB 4.17Å; A130-A144 WeakPolarHBondContact O-CA 3.39Å; A130-K147 WeakPolarHBondContact O-CD 3.23Å; A130-V148 HydrophobicContact CB-CG2 3.54Å
131	E	81.1	Confident	83.9	Confident	133 Å²	133	78.4 Å²	78.4	62%	0.621	44%	0.44	S	S	*	.			trans	43.2	45.9	-179.7	-62.8	-178.6	152	0	0	112	L127 V129 G133 K147	L127-E131 PolarHBondContact O-N 2.93Å; V129-E131 PolarHBondContact O-N 3.39Å; E131-G133 PolarHBondContact O-N 3.06Å; E131-K147 HydrophobicContact CB-CD 4.46Å; E131-K147 IonicContact OE2-NZ 3.82Å; E131-K147 PolarHBondContact OE2-NZ 2.95Å
132	R	77.4	Confident	83.8	Confident	103 Å²	103	76.3 Å²	76.3	39%	0.389	43%	0.427	S	S	.	.			trans	-63.8	108.4	-176.1	-172.9	179.8	179.3	178.9	-1.2	108.4	V123 A130 A144	V123-R132 HydrophobicContact CG1-CB 4.34Å; A130-R132 PolarHBondContact O-N 3.2Å; R132-A144 HydrophobicContact CB-CB 4.07Å; R132-A144 HydrophobicContact CG-CB 4.26Å
133	G	71.4	Confident	83.7	Confident	57 Å²	57	76.1 Å²	76.1	59%	0.588	42%	0.424	S	S	*	.			trans	-63.2	172.1	176.4	0	0	0	0	0	112.9	E131 I135	E131-G133 PolarHBondContact O-N 3.06Å; G133-I135 VanDerWaalsContact C-N 3.28Å; G133-I135 PolarHBondContact O-N 2.99Å
134	G	68.9	Low	83.7	Confident	84 Å²	84	76.2 Å²	76.2	87%	0.866	43%	0.426	S	S	*	.	S	Bend	trans	-77.2	4.4	-174.2	0	0	0	0	0	116.9	P136	G134-P136 WeakPolarHBondContact O-CD 3.4Å
135	I	69.3	Low	83.7	Confident	144 Å²	144	72.1 Å²	72.1	74%	0.738	41%	0.406	S	S	*	.			trans	-95.6	113.7	-178.3	-58.5	173	0	0	0	109.3	G133	G133-I135 VanDerWaalsContact C-N 3.28Å; G133-I135 PolarHBondContact O-N 2.99Å
136	P	73.1	Confident	83.6	Confident	115 Å²	115	62.9 Å²	62.9	75%	0.747	37%	0.372	S	S	*	.			trans	-69.2	139.6	175.7	28.7	-33.3	0	0	0	110.9	G134	G134-P136 WeakPolarHBondContact O-CD 3.4Å
137	G	84.5	Confident	83.5	Confident	43 Å²	43	63.3 Å²	63.3	44%	0.443	37%	0.37	S	S	.	.	S	Bend	trans	153.6	161.3	175.3	0	0	0	0	0	113.1	R139 G140 L141	G137-R139 VanDerWaalsContact C-N 3.34Å; G137-R139 PolarHBondContact O-N 3.46Å; G137-G140 PolarHBondContact O-N 2.9Å; G137-L141 PolarHBondContact O-N 3.49Å; G137-L141 VanDerWaalsContact O-N 3.12Å
138	T	88.4	Confident	83.5	Confident	33 Å²	33	59.7 Å²	59.7	20%	0.202	35%	0.353	C	S	.	.	H	α-helix	trans	-59.7	-42.8	-177.6	-42.5	0	0	0	0	111.9	G140 L141 V142 A176 D178	T138-G140 VanDerWaalsContact C-N 3.35Å; T138-G140 PolarHBondContact O-N 2.66Å; T138-L141 WeakPolarHBondContact O-CB 3.47Å; T138-L141 PolarHBondContact O-N 3.25Å; T138-V142 HydrophobicContact CG2-CG2 4.32Å; T138-V142 WeakPolarHBondContact O-CG2 3.41Å; T138-V142 PolarHBondContact O-N 3.32Å; T138-A176 HydrophobicContact CG2-CB 3.78Å; T138-D178 WeakPolarHBondContact CB-OD2 3.29Å; T138-D178 HydrophobicContact CG2-CB 3.76Å; T138-D178 WeakPolarHBondContact OG1-CB 3.46Å; T138-D178 PolarHBondContact OG1-OD2 2.82Å
139	R	88.1	Confident	82.8	Confident	65 Å²	65	53.7 Å²	53.7	25%	0.245	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-41	178.8	-176.9	172.9	169.6	173.5	-5	112.9	G137 L141 V142 N143 D162	G137-R139 VanDerWaalsContact C-N 3.34Å; G137-R139 PolarHBondContact O-N 3.46Å; R139-L141 VanDerWaalsContact C-N 3.35Å; R139-V142 PolarHBondContact O-N 3.42Å; R139-N143 WeakPolarHBondContact O-CB 3.41Å; R139-N143 PolarHBondContact O-N 3.42Å; R139-D162 IonicContact CZ-OD2 2.77Å; R139-D162 IonicContact NE-OD2 4Å; R139-D162 IonicContact NH2-OD1 2.58Å; R139-D162 IonicContact NH2-OD2 3.74Å; R139-D162 PolarHBondContact NH2-OD2 3.17Å
140	G	88.6	Confident	81.7	Confident	31 Å²	31	53.5 Å²	53.5	32%	0.32	34%	0.34	S	S	.	.	H	α-helix	trans	-64.6	-41.1	175.8	0	0	0	0	0	111.9	G137 T138 A144	G137-G140 PolarHBondContact O-N 2.9Å; T138-G140 VanDerWaalsContact C-N 3.35Å; T138-G140 PolarHBondContact O-N 2.66Å; G140-A144 WeakPolarHBondContact O-CB 3.49Å; G140-A144 PolarHBondContact O-N 2.92Å
141	L	91.5	Very high	80.2	Confident	5 Å²	5	63 Å²	63	3%	0.026	38%	0.384	C	S	.	.	H	α-helix	trans	-63.7	-46.1	174.8	176.7	64.7	0	0	0	112.1	T116 M119 Q120 V123 G137 T138 R139 A144 F145	T116-L141 HydrophobicContact CG2-CD2 3.97Å; M119-L141 HydrophobicContact CB-CD1 4.34Å; M119-L141 HydrophobicContact CB-CD2 4.14Å; M119-L141 HydrophobicContact CB-CG 4.13Å; M119-L141 HydrophobicContact CE-CD2 4.18Å; Q120-L141 HydrophobicContact CG-CD1 3.94Å; Q120-L141 HydrophobicContact CG-CD2 3.68Å; Q120-L141 HydrophobicContact CG-CG 4.48Å; V123-L141 HydrophobicContact CB-CD1 4.33Å; V123-L141 HydrophobicContact CG2-CD1 4.07Å; G137-L141 PolarHBondContact O-N 3.49Å; G137-L141 VanDerWaalsContact O-N 3.12Å; T138-L141 WeakPolarHBondContact O-CB 3.47Å; T138-L141 PolarHBondContact O-N 3.25Å; R139-L141 VanDerWaalsContact C-N 3.35Å; L141-A144 PolarHBondContact O-N 3.38Å; L141-F145 WeakPolarHBondContact O-CB 3.47Å; L141-F145 PolarHBondContact O-N 3.13Å
142	V	91.6	Very high	79.1	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-60.2	-48.7	177.5	168.5	0	0	0	0	110.5	M119 T138 R139 A144 F145 L146 V169 H172	M119-V142 HydrophobicContact CE-CG2 4.21Å; M119-V142 HydrophobicContact SD-CG2 4.01Å; T138-V142 HydrophobicContact CG2-CG2 4.32Å; T138-V142 WeakPolarHBondContact O-CG2 3.41Å; T138-V142 PolarHBondContact O-N 3.32Å; R139-V142 PolarHBondContact O-N 3.42Å; V142-A144 VanDerWaalsContact C-N 3.3Å; V142-A144 PolarHBondContact O-N 3.47Å; V142-F145 PolarHBondContact O-N 3.08Å; V142-L146 HydrophobicContact CG1-CD1 3.92Å; V142-L146 HydrophobicContact CG1-CG 4.2Å; V142-L146 VanDerWaalsContact O-CG 3.27Å; V142-L146 WeakPolarHBondContact O-CG 3.43Å; V142-L146 PolarHBondContact O-N 3.17Å; V142-V169 HydrophobicContact CG1-CG1 4.2Å; V142-H172 HydrophobicContact CB-CB 4.35Å; V142-H172 HydrophobicContact CG1-CB 3.61Å; V142-H172 HydrophobicContact CG2-CB 3.78Å
143	N	89.2	Confident	78.1	Confident	29 Å²	29	65.2 Å²	65.2	16%	0.155	41%	0.413	C	S	.	.	H	α-helix	trans	-58.8	-43.9	178.4	-75	-2	0	0	0	111.6	R139 L146 K147	R139-N143 WeakPolarHBondContact O-CB 3.41Å; R139-N143 PolarHBondContact O-N 3.42Å; N143-L146 PolarHBondContact O-N 2.88Å; N143-K147 WeakPolarHBondContact O-CG 2.72Å; N143-K147 PolarHBondContact O-N 3.33Å; N143-K147 VanDerWaalsContact O-N 3.14Å
144	A	89.5	Confident	77.9	Confident	3 Å²	3	66.2 Å²	66.2	3%	0.025	40%	0.401	C	S	.	.	H	α-helix	trans	-63.1	-43.1	176.5	0	0	0	0	0	112	V123 A130 R132 G140 L141 V142 K147 V148	V123-A144 HydrophobicContact CG1-CB 4.07Å; V123-A144 HydrophobicContact CG2-CB 3.87Å; A130-A144 HydrophobicContact CB-CB 4.17Å; A130-A144 WeakPolarHBondContact O-CA 3.39Å; R132-A144 HydrophobicContact CB-CB 4.07Å; R132-A144 HydrophobicContact CG-CB 4.26Å; G140-A144 WeakPolarHBondContact O-CB 3.49Å; G140-A144 PolarHBondContact O-N 2.92Å; L141-A144 PolarHBondContact O-N 3.38Å; V142-A144 VanDerWaalsContact C-N 3.3Å; V142-A144 PolarHBondContact O-N 3.47Å; A144-K147 PolarHBondContact O-N 3.01Å; A144-V148 WeakPolarHBondContact O-CG2 3.32Å; A144-V148 PolarHBondContact O-N 2.78Å
145	F	90.4	Very high	78.1	Confident	29 Å²	29	70.5 Å²	70.5	13%	0.127	40%	0.398	C	S	.	.	H	α-helix	trans	-62.1	-43.8	177.2	176.1	-105	0	0	0	112.2	H118 M119 V122 V123 L141 V142 K147 V148 G149 H172	H118-F145 AromaticContact NE2-CE2 3.98Å; M119-F145 HydrophobicContact CB-CB 4.31Å; M119-F145 HydrophobicContact CB-CD2 3.97Å; M119-F145 HydrophobicContact CB-CE2 4.48Å; M119-F145 HydrophobicContact CB-CG 4.1Å; M119-F145 HydrophobicContact CG-CB 4.29Å; M119-F145 HydrophobicContact CG-CD1 3.91Å; M119-F145 HydrophobicContact CG-CD2 3.83Å; M119-F145 HydrophobicContact CG-CE1 4.16Å; M119-F145 HydrophobicContact CG-CE2 4.07Å; M119-F145 HydrophobicContact CG-CG 3.73Å; M119-F145 HydrophobicContact CG-CZ 4.23Å; M119-F145 HydrophobicContact SD-CB 4.37Å; M119-F145 HydrophobicContact SD-CD1 4.02Å; M119-F145 HydrophobicContact SD-CG 4.16Å; V122-F145 HydrophobicContact CB-CD2 3.88Å; V122-F145 HydrophobicContact CB-CE2 3.81Å; V122-F145 HydrophobicContact CG1-CD2 3.79Å; V122-F145 HydrophobicContact CG1-CE2 3.77Å; V122-F145 HydrophobicContact CG2-CE2 4.02Å; V123-F145 HydrophobicContact CG2-CB 3.94Å; L141-F145 WeakPolarHBondContact O-CB 3.47Å; L141-F145 PolarHBondContact O-N 3.13Å; V142-F145 PolarHBondContact O-N 3.08Å; F145-K147 VanDerWaalsContact C-N 3.34Å; F145-K147 PolarHBondContact O-N 3.22Å; F145-V148 PolarHBondContact O-N 2.77Å; F145-G149 PolarHBondContact O-N 3.44Å; F145-H172 AromaticContact CD1-CD2 3.83Å; F145-H172 AromaticContact CE1-CD2 3.69Å; F145-H172 AromaticContact CE1-NE2 3.63Å
146	L	88.8	Confident	78.4	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-67.2	-32.1	179.2	-66	-177.3	0	0	0	113	V142 N143 V148 G149 T150 M164 Q168 V169	V142-L146 HydrophobicContact CG1-CD1 3.92Å; V142-L146 HydrophobicContact CG1-CG 4.2Å; V142-L146 VanDerWaalsContact O-CG 3.27Å; V142-L146 WeakPolarHBondContact O-CG 3.43Å; V142-L146 PolarHBondContact O-N 3.17Å; N143-L146 PolarHBondContact O-N 2.88Å; L146-V148 VanDerWaalsContact C-N 3.31Å; L146-G149 PolarHBondContact O-N 2.9Å; L146-T150 WeakPolarHBondContact O-CG2 3.41Å; L146-T150 PolarHBondContact O-OG1 3.29Å; L146-M164 HydrophobicContact CB-CE 3.7Å; L146-M164 HydrophobicContact CB-SD 3.78Å; L146-M164 HydrophobicContact CD1-SD 4.34Å; L146-Q168 HydrophobicContact CD1-CG 3.9Å; L146-Q168 HydrophobicContact CD2-CG 3.77Å; L146-Q168 HydrophobicContact CG-CG 4.5Å; L146-V169 HydrophobicContact CD1-CG2 3.8Å
147	K	86.6	Confident	78.7	Confident	75 Å²	75	64 Å²	64	33%	0.326	36%	0.36	S	S	.	.	H	α-helix	trans	-64.6	-34.8	172.9	-75.2	-179	175.2	-170.2	0	112.6	V129 A130 E131 N143 A144 F145 T150 M164	V129-K147 WeakPolarHBondContact CG1-O 3.47Å; A130-K147 WeakPolarHBondContact O-CD 3.23Å; E131-K147 HydrophobicContact CB-CD 4.46Å; E131-K147 IonicContact OE2-NZ 3.82Å; E131-K147 PolarHBondContact OE2-NZ 2.95Å; N143-K147 WeakPolarHBondContact O-CG 2.72Å; N143-K147 PolarHBondContact O-N 3.33Å; N143-K147 VanDerWaalsContact O-N 3.14Å; A144-K147 PolarHBondContact O-N 3.01Å; F145-K147 VanDerWaalsContact C-N 3.34Å; F145-K147 PolarHBondContact O-N 3.22Å; K147-T150 PolarHBondContact O-OG1 3.38Å; K147-T150 VanDerWaalsContact O-OG1 3.04Å; K147-M164 HydrophobicContact CB-CE 4.17Å; K147-M164 HydrophobicContact CG-CE 3.38Å
148	V	85.8	Confident	78.6	Confident	33 Å²	33	63.5 Å²	63.5	20%	0.2	35%	0.347	C	S	.	.	H	α-helix	trans	-75.5	-40.7	177.7	177.6	0	0	0	0	111.2	V122 N126 V129 A130 A144 F145 L146 T150	V122-V148 HydrophobicContact CG1-CB 4.37Å; V122-V148 HydrophobicContact CG1-CG1 3.83Å; N126-V148 HydrophobicContact CB-CB 4.28Å; N126-V148 HydrophobicContact CB-CG1 3.51Å; N126-V148 HydrophobicContact CB-CG2 3.67Å; V129-V148 HydrophobicContact CB-CG2 4.42Å; V129-V148 HydrophobicContact CG1-CG2 4.45Å; A130-V148 HydrophobicContact CB-CG2 3.54Å; A144-V148 WeakPolarHBondContact O-CG2 3.32Å; A144-V148 PolarHBondContact O-N 2.78Å; F145-V148 PolarHBondContact O-N 2.77Å; L146-V148 VanDerWaalsContact C-N 3.31Å; V148-T150 VanDerWaalsContact C-N 3.31Å; V148-T150 PolarHBondContact O-N 3.36Å
149	G	69.9	Low	78.4	Confident	61 Å²	61	63.6 Å²	63.6	63%	0.629	35%	0.346	S	S	*	.	S	Bend	trans	-83.2	13.3	-173.8	0	0	0	0	0	116.4	F145 L146 E151	F145-G149 PolarHBondContact O-N 3.44Å; L146-G149 PolarHBondContact O-N 2.9Å; G149-E151 PolarHBondContact O-N 3.05Å
150	T	60.5	Low	78.2	Confident	76 Å²	76	63 Å²	63	47%	0.466	35%	0.352	S	S	.	.			trans	-96.6	87.2	-173.8	18.2	0	0	0	0	112.4	L146 K147 V148	L146-T150 WeakPolarHBondContact O-CG2 3.41Å; L146-T150 PolarHBondContact O-OG1 3.29Å; K147-T150 PolarHBondContact O-OG1 3.38Å; K147-T150 VanDerWaalsContact O-OG1 3.04Å; V148-T150 VanDerWaalsContact C-N 3.31Å; V148-T150 PolarHBondContact O-N 3.36Å
151	E	50.4	Low	77.8	Confident	201 Å²	201	61.8 Å²	61.8	94%	0.939	34%	0.338	S	S	*	.	S	Bend	trans	-91.7	-18.9	162.2	-71.4	-165.9	166.1	0	0	112.8	G149	G149-E151 PolarHBondContact O-N 3.05Å
152	E	56.3	Low	77.1	Confident	160 Å²	160	66.3 Å²	66.3	75%	0.748	36%	0.363	S	S	*	.	S	Bend	trans	-114.1	132.7	179.4	-70.9	-173.6	161.5	0	0	112.8	F154	E152-F154 PolarHBondContact O-N 3.16Å
153	S	57.7	Low	76.5	Confident	122 Å²	122	69.9 Å²	69.9	85%	0.853	40%	0.399	S	S	*	.			trans	-68	91.1	169.9	59.7	0	0	0	0	110.2
154	F	66	Low	76.3	Confident	78 Å²	78	69.5 Å²	69.5	34%	0.342	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-79.1	120.7	174.8	-170.4	-89.1	0	0	0	110.5	E152 P165 D232	E152-F154 PolarHBondContact O-N 3.16Å; F154-P165 HydrophobicContact CB-CG 4.34Å; F154-P165 HydrophobicContact CD1-CB 3.74Å; F154-P165 HydrophobicContact CD1-CG 3.33Å; F154-P165 HydrophobicContact CE1-CB 3.84Å; F154-P165 HydrophobicContact CE1-CG 3.99Å; F154-P165 HydrophobicContact CG-CG 4.2Å; F154-D232 HydrophobicContact CZ-CB 4.26Å; F154-D232 WeakPolarHBondContact CZ-OD2 3.48Å
155	Q	73.2	Confident	76.3	Confident	173 Å²	173	69.9 Å²	69.9	81%	0.808	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-85.7	124.3	170.7	-67.4	-150.3	-12.8	0	0	110.4	E157	Q155-E157 PolarHBondContact O-N 3.47Å
156	P	76.7	Confident	76.3	Confident	59 Å²	59	68.5 Å²	68.5	38%	0.383	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-65.6	132.5	-179.6	26.4	-33.1	0	0	0	111.3	D159 P165	P156-D159 VanDerWaalsContact CB-O 3.28Å; P156-D159 WeakPolarHBondContact CB-O 3.41Å; P156-P165 HydrophobicContact CB-CB 4.24Å
157	E	79.4	Confident	76.4	Confident	65 Å²	65	68.4 Å²	68.4	30%	0.304	39%	0.392	S	S	.	.	S	Bend	trans	-70.2	-40.6	179.8	-173.9	-179.8	124.3	0	0	112.6	Q155 K231 D232 K235	Q155-E157 PolarHBondContact O-N 3.47Å; E157-K231 PolarHBondContact OE2-N 3.07Å; E157-D232 HydrophobicContact CB-CB 4.07Å; E157-D232 WeakPolarHBondContact OE2-CB 3.44Å; E157-D232 PolarHBondContact OE2-N 3.24Å; E157-K235 IonicContact OE1-NZ 3.98Å; E157-K235 PolarHBondContact OE1-NZ 3.17Å
158	D	81.8	Confident	76.6	Confident	31 Å²	31	65.8 Å²	65.8	17%	0.166	38%	0.381	C	S	.	.	S	Bend	trans	-119.9	-53.1	-174.8	-63.7	-69.5	0	0	0	113	W167 L189 F192 K235	D158-W167 PolarHBondContact OD2-NE1 3.11Å; D158-L189 HydrophobicContact CB-CD2 3.73Å; D158-F192 HydrophobicContact CB-CD1 4.32Å; D158-F192 HydrophobicContact CB-CE1 4.35Å; D158-F192 WeakPolarHBondContact O-CZ 3.27Å; D158-K235 IonicContact OD1-NZ 3.68Å; D158-K235 IonicContact OD2-NZ 2.8Å; D158-K235 PolarHBondContact OD2-NZ 3.49Å
159	D	83.9	Confident	76.9	Confident	35 Å²	35	64.2 Å²	64.2	19%	0.187	37%	0.372	C	S	.	.			trans	-149.9	161.2	-173.7	-174.3	39	0	0	0	112.3	P156 T166 R188 L189	P156-D159 VanDerWaalsContact CB-O 3.28Å; P156-D159 WeakPolarHBondContact CB-O 3.41Å; D159-T166 VanDerWaalsContact C-OG1 3.25Å; D159-T166 PolarHBondContact O-N 3.05Å; D159-T166 VanDerWaalsContact O-N 3.11Å; D159-T166 PolarHBondContact O-OG1 3.25Å; D159-T166 PolarHBondContact OD2-OG1 3.04Å; D159-R188 WeakPolarHBondContact OD2-CB 3.41Å; D159-L189 HydrophobicContact CB-CD2 3.52Å; D159-L189 HydrophobicContact CB-CG 4.16Å
160	S	83.9	Confident	78	Confident	53 Å²	53	61.3 Å²	61.3	37%	0.371	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.6	171	62.1	0	0	0	0	112.1	M164 T166	S160-M164 CarbonylContact C-O 3.29Å; S160-M164 VanDerWaalsContact CA-O 3.22Å; S160-M164 WeakPolarHBondContact CA-O 3.27Å; S160-M164 WeakPolarHBondContact CB-O 3.24Å; S160-T166 WeakPolarHBondContact CA-OG1 3.45Å; S160-T166 PolarHBondContact N-OG1 3.25Å
161	I	81	Confident	79.6	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.6	178.7	-165.3	166	0	0	0	109.2	G163 M164 V169 T185	I161-G163 PolarHBondContact O-N 3.47Å; I161-G163 VanDerWaalsContact O-N 3.1Å; I161-M164 PolarHBondContact N-O 3.36Å; I161-M164 WeakPolarHBondContact O-CB 3.45Å; I161-M164 PolarHBondContact O-N 3.31Å; I161-V169 HydrophobicContact CG2-CB 4.28Å; I161-V169 HydrophobicContact CG2-CG1 4.47Å; I161-V169 HydrophobicContact CG2-CG2 4Å; I161-T185 HydrophobicContact CD1-CG2 4.08Å; I161-T185 HydrophobicContact CG2-CG2 4.04Å
162	D	77.3	Confident	81.7	Confident	101 Å²	101	48.9 Å²	48.9	54%	0.54	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	32.8	-178.9	-50.2	-34.3	0	0	0	113.7	R139 M164	R139-D162 IonicContact CZ-OD2 2.77Å; R139-D162 IonicContact NE-OD2 4Å; R139-D162 IonicContact NH2-OD1 2.58Å; R139-D162 IonicContact NH2-OD2 3.74Å; R139-D162 PolarHBondContact NH2-OD2 3.17Å; D162-M164 VanDerWaalsContact C-N 3.3Å; D162-M164 PolarHBondContact O-N 3.15Å
163	G	78.9	Confident	83.5	Confident	74 Å²	74	41.3 Å²	41.3	76%	0.763	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	81	1.9	-177.2	0	0	0	0	0	115.1	I161	I161-G163 PolarHBondContact O-N 3.47Å; I161-G163 VanDerWaalsContact O-N 3.1Å
164	M	85.2	Confident	85.3	Confident	22 Å²	22	35.5 Å²	35.5	11%	0.108	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	151.7	179.8	-65.2	-70.7	-173.6	0	0	111.8	L146 K147 S160 I161 D162 T166 V169	L146-M164 HydrophobicContact CB-CE 3.7Å; L146-M164 HydrophobicContact CB-SD 3.78Å; L146-M164 HydrophobicContact CD1-SD 4.34Å; K147-M164 HydrophobicContact CB-CE 4.17Å; K147-M164 HydrophobicContact CG-CE 3.38Å; S160-M164 CarbonylContact C-O 3.29Å; S160-M164 VanDerWaalsContact CA-O 3.22Å; S160-M164 WeakPolarHBondContact CA-O 3.27Å; S160-M164 WeakPolarHBondContact CB-O 3.24Å; I161-M164 PolarHBondContact N-O 3.36Å; I161-M164 WeakPolarHBondContact O-CB 3.45Å; I161-M164 PolarHBondContact O-N 3.31Å; D162-M164 VanDerWaalsContact C-N 3.3Å; D162-M164 PolarHBondContact O-N 3.15Å; M164-T166 PolarHBondContact O-N 2.97Å; M164-V169 HydrophobicContact CB-CG2 3.68Å
165	P	88.9	Confident	86.6	Confident	11 Å²	11	32 Å²	32	7%	0.071	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	126.2	175.3	-20.9	33.4	0	0	0	112.2	F154 P156 W167 Q168 V169	F154-P165 HydrophobicContact CB-CG 4.34Å; F154-P165 HydrophobicContact CD1-CB 3.74Å; F154-P165 HydrophobicContact CD1-CG 3.33Å; F154-P165 HydrophobicContact CE1-CB 3.84Å; F154-P165 HydrophobicContact CE1-CG 3.99Å; F154-P165 HydrophobicContact CG-CG 4.2Å; P156-P165 HydrophobicContact CB-CB 4.24Å; P165-W167 VanDerWaalsContact C-N 3.29Å; P165-W167 PolarHBondContact O-N 2.95Å; P165-Q168 HydrophobicContact CB-CB 4.07Å; P165-Q168 WeakPolarHBondContact O-CB 3.34Å; P165-Q168 PolarHBondContact O-N 3.21Å; P165-Q168 VanDerWaalsContact O-N 3.11Å; P165-V169 PolarHBondContact O-N 3.46Å; P165-V169 VanDerWaalsContact O-N 3.12Å
166	T	90.4	Very high	87.6	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.3	-36.8	-172.6	-59.3	0	0	0	0	112.5	D159 S160 M164 T170 T185 L189	D159-T166 VanDerWaalsContact C-OG1 3.25Å; D159-T166 PolarHBondContact O-N 3.05Å; D159-T166 VanDerWaalsContact O-N 3.11Å; D159-T166 PolarHBondContact O-OG1 3.25Å; D159-T166 PolarHBondContact OD2-OG1 3.04Å; S160-T166 WeakPolarHBondContact CA-OG1 3.45Å; S160-T166 PolarHBondContact N-OG1 3.25Å; M164-T166 PolarHBondContact O-N 2.97Å; T166-T170 WeakPolarHBondContact O-CB 3.47Å; T166-T170 PolarHBondContact O-N 2.8Å; T166-T170 PolarHBondContact O-OG1 3.03Å; T166-T185 HydrophobicContact CG2-CG2 3.71Å; T166-L189 HydrophobicContact CG2-CD1 3.45Å; T166-L189 VanDerWaalsContact CG2-CD1 3.45Å; T166-L189 HydrophobicContact CG2-CG 4.08Å
167	W	91	Very high	88.5	Confident	1 Å²	1	23.1 Å²	23.1	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-68.7	-37.2	177.6	-65	120.3	0	0	0	113.6	D158 P165 T170 Y171 L186 L189 C195 L198 V199 K235 L238	D158-W167 PolarHBondContact OD2-NE1 3.11Å; P165-W167 VanDerWaalsContact C-N 3.29Å; P165-W167 PolarHBondContact O-N 2.95Å; W167-T170 PolarHBondContact O-N 2.82Å; W167-Y171 WeakPolarHBondContact O-CB 3.39Å; W167-Y171 PolarHBondContact O-N 2.89Å; W167-L186 HydrophobicContact CE3-CD2 4.42Å; W167-L186 HydrophobicContact CH2-CD2 4.35Å; W167-L186 HydrophobicContact CZ3-CD2 3.8Å; W167-L189 HydrophobicContact CD2-CD1 4.24Å; W167-L189 HydrophobicContact CE3-CD1 4.38Å; W167-L189 HydrophobicContact CH2-CD1 3.86Å; W167-L189 HydrophobicContact CZ2-CD1 3.69Å; W167-L189 HydrophobicContact CZ3-CD1 4.2Å; W167-C195 HydrophobicContact CH2-CB 3.72Å; W167-C195 HydrophobicContact CZ2-CB 3.62Å; W167-L198 HydrophobicContact CE3-CD2 4.46Å; W167-L198 HydrophobicContact CH2-CD2 3.75Å; W167-L198 HydrophobicContact CH2-CG 4.4Å; W167-L198 HydrophobicContact CZ3-CD2 3.62Å; W167-L198 HydrophobicContact CZ3-CG 4.28Å; W167-V199 HydrophobicContact CH2-CG2 4.26Å; W167-K235 HydrophobicContact CB-CB 4.3Å; W167-K235 HydrophobicContact CD2-CB 3.97Å; W167-K235 HydrophobicContact CD2-CD 4.23Å; W167-K235 HydrophobicContact CD2-CG 4.05Å; W167-K235 HydrophobicContact CE3-CB 4.47Å; W167-K235 HydrophobicContact CE3-CG 4.43Å; W167-K235 HydrophobicContact CG-CB 3.88Å; W167-K235 HydrophobicContact CG-CD 4.48Å; W167-K235 HydrophobicContact CG-CG 4.41Å; W167-K235 HydrophobicContact CZ2-CD 3.95Å; W167-K235 HydrophobicContact CZ2-CG 4.21Å; W167-L238 HydrophobicContact CE3-CD1 3.61Å; W167-L238 HydrophobicContact CZ3-CD1 4.09Å
168	Q	91.1	Very high	89.2	Confident	20 Å²	20	21.8 Å²	21.8	9%	0.093	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-48.6	176.4	-174.5	170.9	16	0	0	110.7	L146 P165 T170 Y171 H172 Y234	L146-Q168 HydrophobicContact CD1-CG 3.9Å; L146-Q168 HydrophobicContact CD2-CG 3.77Å; L146-Q168 HydrophobicContact CG-CG 4.5Å; P165-Q168 HydrophobicContact CB-CB 4.07Å; P165-Q168 WeakPolarHBondContact O-CB 3.34Å; P165-Q168 PolarHBondContact O-N 3.21Å; P165-Q168 VanDerWaalsContact O-N 3.11Å; Q168-T170 VanDerWaalsContact C-N 3.34Å; Q168-T170 PolarHBondContact O-N 2.69Å; Q168-Y171 PolarHBondContact O-N 3.13Å; Q168-H172 PolarHBondContact O-N 3.35Å; Q168-H172 VanDerWaalsContact O-N 3.1Å; Q168-H172 PolarHBondContact O-ND1 2.85Å; Q168-Y234 HydrophobicContact CB-CD1 4.46Å; Q168-Y234 HydrophobicContact CB-CD2 3.56Å; Q168-Y234 HydrophobicContact CB-CE2 3.77Å; Q168-Y234 HydrophobicContact CB-CG 3.95Å; Q168-Y234 VanDerWaalsContact CD-CE2 3.47Å; Q168-Y234 HydrophobicContact CG-CD1 4.27Å; Q168-Y234 HydrophobicContact CG-CD2 3.77Å; Q168-Y234 HydrophobicContact CG-CE1 3.99Å; Q168-Y234 HydrophobicContact CG-CE2 3.44Å; Q168-Y234 VanDerWaalsContact CG-CE2 3.44Å; Q168-Y234 HydrophobicContact CG-CG 4.17Å; Q168-Y234 PolarHBondContact NE2-OH 2.87Å; Q168-Y234 VanDerWaalsContact NE2-OH 3.15Å
169	V	91.7	Very high	89.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.5	-46.3	175.9	178.4	0	0	0	0	110.6	V142 L146 I161 M164 P165 Y171 H172 C173 T185	V142-V169 HydrophobicContact CG1-CG1 4.2Å; L146-V169 HydrophobicContact CD1-CG2 3.8Å; I161-V169 HydrophobicContact CG2-CB 4.28Å; I161-V169 HydrophobicContact CG2-CG1 4.47Å; I161-V169 HydrophobicContact CG2-CG2 4Å; M164-V169 HydrophobicContact CB-CG2 3.68Å; P165-V169 PolarHBondContact O-N 3.46Å; P165-V169 VanDerWaalsContact O-N 3.12Å; V169-Y171 PolarHBondContact O-N 3.17Å; V169-H172 PolarHBondContact O-N 3.23Å; V169-C173 PolarHBondContact O-N 2.81Å; V169-C173 PolarHBondContact O-SG 3.46Å; V169-C173 VanDerWaalsContact O-SG 3.36Å; V169-T185 HydrophobicContact CB-CG2 4.22Å; V169-T185 HydrophobicContact CG1-CG2 3.99Å
170	T	93.4	Very high	90.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-48	178.7	-57.4	0	0	0	0	111.3	T166 W167 Q168 H172 C173 V174 A182 T185 L186 L202 L238	T166-T170 WeakPolarHBondContact O-CB 3.47Å; T166-T170 PolarHBondContact O-N 2.8Å; T166-T170 PolarHBondContact O-OG1 3.03Å; W167-T170 PolarHBondContact O-N 2.82Å; Q168-T170 VanDerWaalsContact C-N 3.34Å; Q168-T170 PolarHBondContact O-N 2.69Å; T170-H172 PolarHBondContact O-N 3.5Å; T170-C173 PolarHBondContact O-N 2.97Å; T170-V174 HydrophobicContact CG2-CG2 4.39Å; T170-V174 WeakPolarHBondContact O-CG2 3.44Å; T170-V174 PolarHBondContact O-N 3.43Å; T170-A182 HydrophobicContact CG2-CB 4.12Å; T170-T185 WeakPolarHBondContact OG1-CG2 3.5Å; T170-L186 HydrophobicContact CG2-CD1 3.99Å; T170-L186 HydrophobicContact CG2-CD2 3.93Å; T170-L186 HydrophobicContact CG2-CG 3.96Å; T170-L202 HydrophobicContact CG2-CD1 4.18Å; T170-L238 HydrophobicContact CG2-CD1 3.84Å; T170-L238 HydrophobicContact CG2-CD2 4.32Å
171	Y	93.4	Very high	90.4	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.02	15%	0.151	C	C	.	.	H	α-helix	trans	-57.4	-48.5	178.9	170	-97.8	0	0	0	112.2	W167 Q168 V169 C173 V174 R175 Y234 A237 L251 W260 F261	W167-Y171 WeakPolarHBondContact O-CB 3.39Å; W167-Y171 PolarHBondContact O-N 2.89Å; Q168-Y171 PolarHBondContact O-N 3.13Å; V169-Y171 PolarHBondContact O-N 3.17Å; Y171-C173 VanDerWaalsContact C-N 3.33Å; Y171-C173 PolarHBondContact O-N 2.94Å; Y171-V174 PolarHBondContact O-N 2.95Å; Y171-R175 HydrophobicContact CE1-CB 4.37Å; Y171-R175 VanDerWaalsContact O-CB 3.3Å; Y171-R175 WeakPolarHBondContact O-CB 3.4Å; Y171-R175 PolarHBondContact O-N 3.42Å; Y171-Y234 AromaticContact CD1-CD1 3.51Å; Y171-Y234 HydrophobicContact CD1-CD1 3.51Å; Y171-Y234 AromaticContact CD1-CE1 3.9Å; Y171-Y234 HydrophobicContact CD1-CE1 3.9Å; Y171-Y234 HydrophobicContact CE1-CD1 4.24Å; Y171-Y234 HydrophobicContact CE1-CE1 4.34Å; Y171-Y234 AromaticContact CG-CD1 3.79Å; Y171-Y234 HydrophobicContact CG-CD1 3.79Å; Y171-A237 HydrophobicContact CD2-CB 3.88Å; Y171-A237 HydrophobicContact CE2-CB 3.85Å; Y171-L251 HydrophobicContact CD1-CD1 4.3Å; Y171-L251 HydrophobicContact CD2-CD1 4.48Å; Y171-L251 HydrophobicContact CE1-CD1 3.98Å; Y171-L251 HydrophobicContact CE2-CD1 4.2Å; Y171-W260 HydrophobicContact CE2-CZ3 4.24Å; Y171-F261 HydrophobicContact CE2-CE1 4.09Å; Y171-F261 AromaticContact CE2-CZ 3.58Å; Y171-F261 HydrophobicContact CE2-CZ 3.58Å; Y171-F261 AromaticContact CZ-CZ 3.93Å; Y171-F261 WeakPolarHBondContact OH-CZ 3.47Å
172	H	93.9	Very high	90.9	Very high	12 Å²	12	24.5 Å²	24.5	6%	0.056	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-36.9	-179	-70.8	75.2	0	0	0	111.8	F115 V142 F145 Q168 V169 T170 R175 A176 Y234	F115-H172 HydrophobicContact CE1-CB 4.47Å; F115-H172 AromaticContact CZ-CD2 3.6Å; V142-H172 HydrophobicContact CB-CB 4.35Å; V142-H172 HydrophobicContact CG1-CB 3.61Å; V142-H172 HydrophobicContact CG2-CB 3.78Å; F145-H172 AromaticContact CD1-CD2 3.83Å; F145-H172 AromaticContact CE1-CD2 3.69Å; F145-H172 AromaticContact CE1-NE2 3.63Å; Q168-H172 PolarHBondContact O-N 3.35Å; Q168-H172 VanDerWaalsContact O-N 3.1Å; Q168-H172 PolarHBondContact O-ND1 2.85Å; V169-H172 PolarHBondContact O-N 3.23Å; T170-H172 PolarHBondContact O-N 3.5Å; H172-R175 PolarHBondContact O-N 3.23Å; H172-A176 VanDerWaalsContact O-CB 3.25Å; H172-A176 WeakPolarHBondContact O-CB 3.36Å; H172-A176 PolarHBondContact O-N 3.4Å; H172-Y234 AromaticContact CE1-CE1 3.59Å
173	C	94.6	Very high	91.6	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-45.2	172.1	-70.5	0	0	0	0	112.1	V169 T170 Y171 A176 G177 D178 A182	V169-C173 PolarHBondContact O-N 2.81Å; V169-C173 PolarHBondContact O-SG 3.46Å; V169-C173 VanDerWaalsContact O-SG 3.36Å; T170-C173 PolarHBondContact O-N 2.97Å; Y171-C173 VanDerWaalsContact C-N 3.33Å; Y171-C173 PolarHBondContact O-N 2.94Å; C173-A176 PolarHBondContact O-N 2.99Å; C173-G177 PolarHBondContact O-N 3.46Å; C173-D178 PolarHBondContact O-N 3.05Å; C173-A182 HydrophobicContact CB-CB 3.79Å
174	V	94.7	Very high	92	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-44.3	176.5	174.4	0	0	0	0	111.1	T170 Y171 A176 G177 M179 A182 L202 L238 W260 Y264	T170-V174 HydrophobicContact CG2-CG2 4.39Å; T170-V174 WeakPolarHBondContact O-CG2 3.44Å; T170-V174 PolarHBondContact O-N 3.43Å; Y171-V174 PolarHBondContact O-N 2.95Å; V174-A176 VanDerWaalsContact C-N 3.26Å; V174-A176 PolarHBondContact O-N 3.45Å; V174-G177 PolarHBondContact O-N 2.98Å; V174-M179 HydrophobicContact CB-SD 4.18Å; V174-M179 HydrophobicContact CG1-SD 3.88Å; V174-M179 HydrophobicContact CG2-CE 4.32Å; V174-M179 HydrophobicContact CG2-SD 3.76Å; V174-A182 HydrophobicContact CG2-CB 3.68Å; V174-L202 HydrophobicContact CG2-CD2 4.26Å; V174-L238 HydrophobicContact CB-CD2 4.16Å; V174-L238 HydrophobicContact CG1-CD2 4.42Å; V174-L238 HydrophobicContact CG2-CD2 3.82Å; V174-W260 HydrophobicContact CG1-CH2 3.99Å; V174-W260 HydrophobicContact CG1-CZ2 4.08Å; V174-Y264 HydrophobicContact CG1-CE1 4.08Å
175	R	94.3	Very high	92	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.011	11%	0.112	C	C	.	.	H	α-helix	trans	-66.1	-27.3	179.4	-178.4	62.6	-172.2	83	-1.5	112.7	L111 Q112 F115 Y171 H172 G177 N257	L111-R175 VanDerWaalsContact C-NH1 3.32Å; L111-R175 PolarHBondContact O-NH1 3.21Å; L111-R175 PolarHBondContact O-NH2 3.08Å; Q112-R175 WeakPolarHBondContact CG-O 3.27Å; F115-R175 HydrophobicContact CB-CG 4.39Å; F115-R175 HydrophobicContact CD1-CB 4.03Å; F115-R175 HydrophobicContact CD1-CG 3.49Å; F115-R175 VanDerWaalsContact CD1-CG 3.49Å; F115-R175 HydrophobicContact CD2-CG 3.87Å; F115-R175 HydrophobicContact CE1-CB 3.81Å; F115-R175 HydrophobicContact CE1-CG 3.52Å; F115-R175 HydrophobicContact CE2-CG 3.92Å; F115-R175 HydrophobicContact CG-CG 3.65Å; F115-R175 HydrophobicContact CZ-CB 4.27Å; F115-R175 HydrophobicContact CZ-CG 3.73Å; Y171-R175 HydrophobicContact CE1-CB 4.37Å; Y171-R175 VanDerWaalsContact O-CB 3.3Å; Y171-R175 WeakPolarHBondContact O-CB 3.4Å; Y171-R175 PolarHBondContact O-N 3.42Å; H172-R175 PolarHBondContact O-N 3.23Å; R175-G177 VanDerWaalsContact C-N 3.33Å; R175-N257 PolarHBondContact NE-OD1 3.17Å; R175-N257 PolarHBondContact NH2-OD1 3.48Å
176	A	95.1	Very high	91.9	Very high	14 Å²	14	20 Å²	20	12%	0.116	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.1	171.1	0	0	0	0	0	113.8	F115 M119 T138 H172 C173 V174 D178	F115-A176 HydrophobicContact CD1-CB 4.27Å; M119-A176 HydrophobicContact CE-CB 3.8Å; T138-A176 HydrophobicContact CG2-CB 3.78Å; H172-A176 VanDerWaalsContact O-CB 3.25Å; H172-A176 WeakPolarHBondContact O-CB 3.36Å; H172-A176 PolarHBondContact O-N 3.4Å; C173-A176 PolarHBondContact O-N 2.99Å; V174-A176 VanDerWaalsContact C-N 3.26Å; V174-A176 PolarHBondContact O-N 3.45Å; A176-D178 VanDerWaalsContact C-N 3.33Å; A176-D178 PolarHBondContact O-N 3.3Å
177	G	94.2	Very high	91.3	Very high	32 Å²	32	23.9 Å²	23.9	33%	0.33	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	3.2	-179.9	0	0	0	0	0	115.4	Q112 C173 V174 R175 M179	Q112-G177 VanDerWaalsContact CD-CA 3.44Å; Q112-G177 VanDerWaalsContact NE2-CA 3.33Å; C173-G177 PolarHBondContact O-N 3.46Å; V174-G177 PolarHBondContact O-N 2.98Å; R175-G177 VanDerWaalsContact C-N 3.33Å; G177-M179 PolarHBondContact O-N 3.19Å
178	D	94.4	Very high	90.6	Very high	37 Å²	37	30.7 Å²	30.7	20%	0.198	15%	0.154	C	C	.	.			trans	-91.6	76.1	177.5	-168.3	-12.5	0	0	0	111.4	T138 C173 A176 K180 S181 A182	T138-D178 WeakPolarHBondContact CB-OD2 3.29Å; T138-D178 HydrophobicContact CG2-CB 3.76Å; T138-D178 WeakPolarHBondContact OG1-CB 3.46Å; T138-D178 PolarHBondContact OG1-OD2 2.82Å; C173-D178 PolarHBondContact O-N 3.05Å; A176-D178 VanDerWaalsContact C-N 3.33Å; A176-D178 PolarHBondContact O-N 3.3Å; D178-K180 PolarHBondContact O-N 3.27Å; D178-K180 PolarHBondContact OD1-N 3.21Å; D178-S181 VanDerWaalsContact CG-CB 3.44Å; D178-S181 PolarHBondContact O-N 3.45Å; D178-S181 PolarHBondContact OD1-N 3.36Å; D178-S181 PolarHBondContact OD1-OG 3.48Å; D178-S181 VanDerWaalsContact OD2-CB 3.31Å; D178-S181 WeakPolarHBondContact OD2-CB 3.22Å; D178-S181 PolarHBondContact OD2-OG 3.43Å; D178-A182 PolarHBondContact O-N 2.98Å; D178-A182 VanDerWaalsContact O-N 3.1Å
179	M	92.7	Very high	90.1	Very high	24 Å²	24	29.7 Å²	29.7	12%	0.118	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-24.4	177.6	-69.7	-59.8	-58.2	0	0	113.1	V174 G177 S183 L202 V205 A206 Y264	V174-M179 HydrophobicContact CB-SD 4.18Å; V174-M179 HydrophobicContact CG1-SD 3.88Å; V174-M179 HydrophobicContact CG2-CE 4.32Å; V174-M179 HydrophobicContact CG2-SD 3.76Å; G177-M179 PolarHBondContact O-N 3.19Å; M179-S183 WeakPolarHBondContact O-CB 3.43Å; M179-S183 PolarHBondContact O-N 3.27Å; M179-L202 HydrophobicContact CE-CD2 4.17Å; M179-V205 HydrophobicContact CE-CB 3.9Å; M179-V205 HydrophobicContact CE-CG1 3.74Å; M179-V205 HydrophobicContact SD-CG1 4.47Å; M179-A206 HydrophobicContact CB-CB 3.9Å; M179-A206 HydrophobicContact CE-CB 4.44Å; M179-A206 WeakPolarHBondContact O-CB 3.36Å; M179-Y264 PolarHBondContact SD-OH 3.02Å
180	K	91.9	Very high	89.3	Confident	143 Å²	143	35.4 Å²	35.4	62%	0.622	18%	0.175	S	C	*	.	H	α-helix	trans	-71.1	-50.7	178.4	-174.7	-174.7	174.1	-170.2	0	110.4	D178 A182 S183 E184	D178-K180 PolarHBondContact O-N 3.27Å; D178-K180 PolarHBondContact OD1-N 3.21Å; K180-A182 PolarHBondContact O-N 3.27Å; K180-S183 WeakPolarHBondContact O-CB 3.32Å; K180-S183 PolarHBondContact O-N 3.27Å; K180-S183 VanDerWaalsContact O-N 3.13Å; K180-E184 WeakPolarHBondContact CE-OE1 3.26Å; K180-E184 WeakPolarHBondContact O-CG 3.23Å; K180-E184 PolarHBondContact O-N 3.39Å
181	S	91.1	Very high	88.3	Confident	14 Å²	14	40 Å²	40	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-36.6	174.3	-68.7	0	0	0	0	111.8	D178 T185	D178-S181 VanDerWaalsContact CG-CB 3.44Å; D178-S181 PolarHBondContact O-N 3.45Å; D178-S181 PolarHBondContact OD1-N 3.36Å; D178-S181 PolarHBondContact OD1-OG 3.48Å; D178-S181 VanDerWaalsContact OD2-CB 3.31Å; D178-S181 WeakPolarHBondContact OD2-CB 3.22Å; D178-S181 PolarHBondContact OD2-OG 3.43Å; S181-T185 PolarHBondContact O-N 3Å; S181-T185 PolarHBondContact O-OG1 3.23Å
182	A	91.8	Very high	87.7	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-47.4	172.7	0	0	0	0	0	112.2	T170 C173 V174 D178 K180 E184 T185 L186	T170-A182 HydrophobicContact CG2-CB 4.12Å; C173-A182 HydrophobicContact CB-CB 3.79Å; V174-A182 HydrophobicContact CG2-CB 3.68Å; D178-A182 PolarHBondContact O-N 2.98Å; D178-A182 VanDerWaalsContact O-N 3.1Å; K180-A182 PolarHBondContact O-N 3.27Å; A182-E184 PolarHBondContact O-N 3.34Å; A182-T185 WeakPolarHBondContact O-CB 3.32Å; A182-T185 PolarHBondContact O-N 3.43Å; A182-L186 WeakPolarHBondContact O-CG 3.4Å; A182-L186 PolarHBondContact O-N 3.01Å
183	S	90.1	Very high	87	Confident	28 Å²	28	47.8 Å²	47.8	20%	0.196	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-42.3	177.6	175.4	0	0	0	0	112.6	M179 K180 T185 L186 N203	M179-S183 WeakPolarHBondContact O-CB 3.43Å; M179-S183 PolarHBondContact O-N 3.27Å; K180-S183 WeakPolarHBondContact O-CB 3.32Å; K180-S183 PolarHBondContact O-N 3.27Å; K180-S183 VanDerWaalsContact O-N 3.13Å; S183-T185 VanDerWaalsContact C-N 3.26Å; S183-T185 PolarHBondContact O-N 2.88Å; S183-L186 PolarHBondContact O-N 3.33Å; S183-L186 VanDerWaalsContact O-N 3.15Å; S183-N203 WeakPolarHBondContact CB-OD1 3.13Å; S183-N203 PolarHBondContact OG-OD1 3.07Å
184	E	87.6	Confident	86.3	Confident	86 Å²	86	53.3 Å²	53.3	40%	0.402	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-37.2	178.1	-73	174.3	-170.2	0	0	112.1	K180 A182 L186 N187	K180-E184 WeakPolarHBondContact CE-OE1 3.26Å; K180-E184 WeakPolarHBondContact O-CG 3.23Å; K180-E184 PolarHBondContact O-N 3.39Å; A182-E184 PolarHBondContact O-N 3.34Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-N187 PolarHBondContact O-N 3.35Å; E184-N187 PolarHBondContact O-ND2 2.89Å; E184-N187 VanDerWaalsContact O-ND2 3.14Å
185	T	85.2	Confident	85.9	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-34.3	177.2	-57.8	0	0	0	0	112	I161 T166 V169 T170 S181 A182 S183 N187	I161-T185 HydrophobicContact CD1-CG2 4.08Å; I161-T185 HydrophobicContact CG2-CG2 4.04Å; T166-T185 HydrophobicContact CG2-CG2 3.71Å; V169-T185 HydrophobicContact CB-CG2 4.22Å; V169-T185 HydrophobicContact CG1-CG2 3.99Å; T170-T185 WeakPolarHBondContact OG1-CG2 3.5Å; S181-T185 PolarHBondContact O-N 3Å; S181-T185 PolarHBondContact O-OG1 3.23Å; A182-T185 WeakPolarHBondContact O-CB 3.32Å; A182-T185 PolarHBondContact O-N 3.43Å; S183-T185 VanDerWaalsContact C-N 3.26Å; S183-T185 PolarHBondContact O-N 2.88Å; T185-N187 VanDerWaalsContact C-N 3.31Å; T185-N187 PolarHBondContact O-N 3.37Å
186	L	86.4	Confident	85.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-78.4	-6.9	-177.3	-67.1	163.8	0	0	0	114.6	W167 T170 A182 S183 E184 R188 L189 V199 L202	W167-L186 HydrophobicContact CE3-CD2 4.42Å; W167-L186 HydrophobicContact CH2-CD2 4.35Å; W167-L186 HydrophobicContact CZ3-CD2 3.8Å; T170-L186 HydrophobicContact CG2-CD1 3.99Å; T170-L186 HydrophobicContact CG2-CD2 3.93Å; T170-L186 HydrophobicContact CG2-CG 3.96Å; A182-L186 WeakPolarHBondContact O-CG 3.4Å; A182-L186 PolarHBondContact O-N 3.01Å; S183-L186 PolarHBondContact O-N 3.33Å; S183-L186 VanDerWaalsContact O-N 3.15Å; E184-L186 VanDerWaalsContact C-N 3.33Å; L186-R188 PolarHBondContact O-N 3.11Å; L186-R188 VanDerWaalsContact O-N 3.15Å; L186-L189 HydrophobicContact CD2-CD1 3.99Å; L186-L189 PolarHBondContact O-N 3.47Å; L186-V199 HydrophobicContact CB-CG1 4.2Å; L186-V199 HydrophobicContact CD2-CG2 4.13Å; L186-L202 HydrophobicContact CD1-CB 3.51Å; L186-L202 HydrophobicContact CD1-CD1 3.63Å; L186-L202 HydrophobicContact CD1-CG 4.2Å; L186-L202 HydrophobicContact CD2-CD1 4.31Å
187	N	78.6	Confident	85.4	Confident	80 Å²	80	55.9 Å²	55.9	43%	0.428	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-58.4	-31	-175.1	-81.3	-45.3	0	0	0	113.8	E184 T185 K190	E184-N187 PolarHBondContact O-N 3.35Å; E184-N187 PolarHBondContact O-ND2 2.89Å; E184-N187 VanDerWaalsContact O-ND2 3.14Å; T185-N187 VanDerWaalsContact C-N 3.31Å; T185-N187 PolarHBondContact O-N 3.37Å; N187-K190 WeakPolarHBondContact OD1-CE 3.27Å; N187-K190 PolarHBondContact OD1-NZ 3.37Å
188	R	76.2	Confident	85.3	Confident	144 Å²	144	54.3 Å²	54.3	54%	0.543	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-78	-23.7	178.1	-65.5	-177.1	177.2	-176	-0.2	113.4	D159 L186 K190 S191	D159-R188 WeakPolarHBondContact OD2-CB 3.41Å; L186-R188 PolarHBondContact O-N 3.11Å; L186-R188 VanDerWaalsContact O-N 3.15Å; R188-K190 VanDerWaalsContact C-N 3.34Å; R188-S191 PolarHBondContact O-OG 3.28Å
189	L	80.7	Confident	85.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-84.1	-6.4	-179.3	-72.9	172.3	0	0	0	113.5	D158 D159 T166 W167 L186 S191 F192 V199	D158-L189 HydrophobicContact CB-CD2 3.73Å; D159-L189 HydrophobicContact CB-CD2 3.52Å; D159-L189 HydrophobicContact CB-CG 4.16Å; T166-L189 HydrophobicContact CG2-CD1 3.45Å; T166-L189 VanDerWaalsContact CG2-CD1 3.45Å; T166-L189 HydrophobicContact CG2-CG 4.08Å; W167-L189 HydrophobicContact CD2-CD1 4.24Å; W167-L189 HydrophobicContact CE3-CD1 4.38Å; W167-L189 HydrophobicContact CH2-CD1 3.86Å; W167-L189 HydrophobicContact CZ2-CD1 3.69Å; W167-L189 HydrophobicContact CZ3-CD1 4.2Å; L186-L189 HydrophobicContact CD2-CD1 3.99Å; L186-L189 PolarHBondContact O-N 3.47Å; L189-S191 PolarHBondContact O-N 2.98Å; L189-S191 VanDerWaalsContact O-N 3.09Å; L189-F192 HydrophobicContact CD2-CD2 3.85Å; L189-F192 HydrophobicContact CD2-CE2 4.03Å; L189-F192 HydrophobicContact CD2-CG 4.23Å; L189-F192 PolarHBondContact O-N 2.92Å; L189-V199 HydrophobicContact CB-CG2 3.87Å
190	K	74.1	Confident	85.2	Confident	119 Å²	119	53.8 Å²	53.8	52%	0.517	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-58	-25	179.4	-72.1	177.7	174.3	168.5	0	113.9	N187 R188 V199	N187-K190 WeakPolarHBondContact OD1-CE 3.27Å; N187-K190 PolarHBondContact OD1-NZ 3.37Å; R188-K190 VanDerWaalsContact C-N 3.34Å; K190-V199 HydrophobicContact CG-CG1 3.95Å
191	S	72.7	Confident	85.2	Confident	96 Å²	96	47 Å²	47	67%	0.671	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-85.9	-6	-179.9	49.4	0	0	0	0	114.4	R188 L189 P193	R188-S191 PolarHBondContact O-OG 3.28Å; L189-S191 PolarHBondContact O-N 2.98Å; L189-S191 VanDerWaalsContact O-N 3.09Å; S191-P193 WeakPolarHBondContact O-CD 3.49Å
192	F	80.6	Confident	85.3	Confident	69 Å²	69	46.4 Å²	46.4	30%	0.303	25%	0.251	S	S	.	.			trans	-93.7	111.4	-176.3	-71	-104	0	0	0	110.4	D158 L189 Q194 C195 A196	D158-F192 HydrophobicContact CB-CD1 4.32Å; D158-F192 HydrophobicContact CB-CE1 4.35Å; D158-F192 WeakPolarHBondContact O-CZ 3.27Å; L189-F192 HydrophobicContact CD2-CD2 3.85Å; L189-F192 HydrophobicContact CD2-CE2 4.03Å; L189-F192 HydrophobicContact CD2-CG 4.23Å; L189-F192 PolarHBondContact O-N 2.92Å; F192-Q194 VanDerWaalsContact C-N 3.27Å; F192-Q194 PolarHBondContact O-N 3.41Å; F192-C195 VanDerWaalsContact CB-SG 3.54Å; F192-C195 PolarHBondContact O-N 3.36Å; F192-A196 PolarHBondContact O-N 3.09Å
193	P	79.5	Confident	85.4	Confident	112 Å²	112	47.9 Å²	47.9	73%	0.727	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-64.2	-30.6	-173.2	-23.8	34.8	0	0	0	113.8	S191 C195 A196	S191-P193 WeakPolarHBondContact O-CD 3.49Å; P193-C195 PolarHBondContact O-N 2.7Å; P193-A196 PolarHBondContact O-N 2.92Å
194	Q	80.9	Confident	85.5	Confident	116 Å²	116	49.2 Å²	49.2	54%	0.542	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-70.8	-17.8	-175.7	-61.8	-178.4	19.9	0	0	113.1	F192 N226	F192-Q194 VanDerWaalsContact C-N 3.27Å; F192-Q194 PolarHBondContact O-N 3.41Å; Q194-N226 PolarHBondContact O-ND2 3.32Å
195	C	85.5	Confident	85.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-126.3	13.2	179.1	64.5	0	0	0	0	112.7	W167 F192 P193 T197 L198 V199	W167-C195 HydrophobicContact CH2-CB 3.72Å; W167-C195 HydrophobicContact CZ2-CB 3.62Å; F192-C195 VanDerWaalsContact CB-SG 3.54Å; F192-C195 PolarHBondContact O-N 3.36Å; P193-C195 PolarHBondContact O-N 2.7Å; C195-T197 VanDerWaalsContact C-N 3.29Å; C195-T197 PolarHBondContact O-N 3.33Å; C195-L198 PolarHBondContact O-N 3Å; C195-V199 WeakPolarHBondContact O-CB 3.3Å; C195-V199 VanDerWaalsContact O-CG2 3.29Å; C195-V199 WeakPolarHBondContact O-CG2 3.38Å; C195-V199 PolarHBondContact O-N 3.42Å
196	A	88.4	Confident	86.2	Confident	42 Å²	42	47 Å²	47	35%	0.347	26%	0.258	S	S	.	.	H	α-helix	trans	-60.2	-38.6	-174.4	0	0	0	0	0	112.2	F192 P193 A200	F192-A196 PolarHBondContact O-N 3.09Å; P193-A196 PolarHBondContact O-N 2.92Å; A196-A200 VanDerWaalsContact O-CB 3.31Å; A196-A200 WeakPolarHBondContact O-CB 3.21Å; A196-A200 PolarHBondContact O-N 3.29Å
197	T	91.4	Very high	86.4	Confident	30 Å²	30	54.8 Å²	54.8	18%	0.184	29%	0.292	C	S	.	.	H	α-helix	trans	-74	-40.5	179	-42.7	0	0	0	0	111.4	C195 A200 A201 L215 K218 L219 E222	C195-T197 VanDerWaalsContact C-N 3.29Å; C195-T197 PolarHBondContact O-N 3.33Å; T197-A200 PolarHBondContact O-N 3.31Å; T197-A201 VanDerWaalsContact O-CB 3.3Å; T197-A201 WeakPolarHBondContact O-CB 3.4Å; T197-A201 PolarHBondContact O-N 3.38Å; T197-L215 HydrophobicContact CG2-CD1 3.96Å; T197-K218 HydrophobicContact CG2-CB 3.6Å; T197-L219 HydrophobicContact CG2-CB 4.16Å; T197-L219 HydrophobicContact CG2-CD1 4.29Å; T197-E222 WeakPolarHBondContact CA-OE2 3.46Å; T197-E222 VanDerWaalsContact CB-CD 3.41Å; T197-E222 WeakPolarHBondContact CB-OE2 3.16Å; T197-E222 PolarHBondContact N-OE2 2.96Å; T197-E222 PolarHBondContact OG1-OE2 3.35Å
198	L	91.4	Very high	87	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-46.4	173	179.4	61.3	0	0	0	112	W167 C195 A200 A201 L202 L219 E222 K235 L238 Y239 L242	W167-L198 HydrophobicContact CE3-CD2 4.46Å; W167-L198 HydrophobicContact CH2-CD2 3.75Å; W167-L198 HydrophobicContact CH2-CG 4.4Å; W167-L198 HydrophobicContact CZ3-CD2 3.62Å; W167-L198 HydrophobicContact CZ3-CG 4.28Å; C195-L198 PolarHBondContact O-N 3Å; L198-A200 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 3.41Å; L198-A201 PolarHBondContact O-N 2.71Å; L198-L202 HydrophobicContact CD1-CD1 4.04Å; L198-L202 HydrophobicContact CD1-CG 4.26Å; L198-L202 HydrophobicContact CG-CD1 4.05Å; L198-L202 WeakPolarHBondContact O-CG 3.46Å; L198-L202 PolarHBondContact O-N 3.13Å; L198-L219 HydrophobicContact CB-CD1 3.97Å; L198-L219 HydrophobicContact CD1-CD1 4.11Å; L198-E222 PolarHBondContact N-OE1 2.9Å; L198-K235 HydrophobicContact CD2-CG 4.27Å; L198-L238 HydrophobicContact CD1-CB 4.33Å; L198-L238 HydrophobicContact CD2-CB 4.36Å; L198-Y239 HydrophobicContact CB-CE1 3.9Å; L198-Y239 HydrophobicContact CD1-CD1 4.15Å; L198-Y239 HydrophobicContact CD1-CE1 4.2Å; L198-Y239 HydrophobicContact CD1-CG 4.4Å; L198-Y239 HydrophobicContact CD2-CD2 3.96Å; L198-Y239 HydrophobicContact CD2-CE1 4.26Å; L198-Y239 HydrophobicContact CD2-CE2 3.6Å; L198-Y239 HydrophobicContact CD2-CG 4.43Å; L198-Y239 HydrophobicContact CG-CE1 4.34Å; L198-L242 HydrophobicContact CD1-CD1 3.95Å
199	V	92.7	Very high	87.6	Confident	4 Å²	4	51 Å²	51	2%	0.024	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-44.2	176	171.6	0	0	0	0	110.6	W167 L186 L189 K190 C195 A201 N203	W167-V199 HydrophobicContact CH2-CG2 4.26Å; L186-V199 HydrophobicContact CB-CG1 4.2Å; L186-V199 HydrophobicContact CD2-CG2 4.13Å; L189-V199 HydrophobicContact CB-CG2 3.87Å; K190-V199 HydrophobicContact CG-CG1 3.95Å; C195-V199 WeakPolarHBondContact O-CB 3.3Å; C195-V199 VanDerWaalsContact O-CG2 3.29Å; C195-V199 WeakPolarHBondContact O-CG2 3.38Å; C195-V199 PolarHBondContact O-N 3.42Å; V199-A201 PolarHBondContact O-N 2.87Å; V199-N203 WeakPolarHBondContact CG1-ND2 3.44Å; V199-N203 WeakPolarHBondContact O-CB 3.39Å; V199-N203 VanDerWaalsContact O-CG 3.26Å; V199-N203 PolarHBondContact O-N 3.42Å; V199-N203 PolarHBondContact O-ND2 3.22Å
200	A	92.2	Very high	88	Confident	45 Å²	45	56.4 Å²	56.4	37%	0.372	31%	0.311	S	S	.	.	H	α-helix	trans	-62.5	-41.8	176.3	0	0	0	0	0	112	A196 T197 L198 N203 H204 L215	A196-A200 VanDerWaalsContact O-CB 3.31Å; A196-A200 WeakPolarHBondContact O-CB 3.21Å; A196-A200 PolarHBondContact O-N 3.29Å; T197-A200 PolarHBondContact O-N 3.31Å; L198-A200 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 3.41Å; A200-N203 PolarHBondContact O-N 2.95Å; A200-H204 WeakPolarHBondContact O-CB 3.35Å; A200-H204 PolarHBondContact O-N 3.37Å; A200-L215 HydrophobicContact CB-CD1 4.14Å
201	A	93.1	Very high	88.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-48.7	177.9	0	0	0	0	0	112.3	T197 L198 V199 N203 H204 V205 L211 L215 L219 L242	T197-A201 VanDerWaalsContact O-CB 3.3Å; T197-A201 WeakPolarHBondContact O-CB 3.4Å; T197-A201 PolarHBondContact O-N 3.38Å; L198-A201 PolarHBondContact O-N 2.71Å; V199-A201 PolarHBondContact O-N 2.87Å; A201-N203 PolarHBondContact O-N 3.08Å; A201-H204 WeakPolarHBondContact O-CB 3.48Å; A201-H204 PolarHBondContact O-N 3.18Å; A201-V205 WeakPolarHBondContact O-CG2 3.42Å; A201-V205 PolarHBondContact O-N 2.87Å; A201-L211 HydrophobicContact CB-CD1 3.8Å; A201-L215 HydrophobicContact CB-CD2 4.15Å; A201-L215 HydrophobicContact CB-CG 4.09Å; A201-L219 HydrophobicContact CB-CD1 4.32Å; A201-L219 HydrophobicContact CB-CD2 4.07Å; A201-L242 HydrophobicContact CB-CD1 3.8Å
202	L	93.2	Very high	89.5	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-41.7	178.2	-70.5	168.1	0	0	0	111.8	T170 V174 M179 L186 L198 H204 V205 A206 L238 L242	T170-L202 HydrophobicContact CG2-CD1 4.18Å; V174-L202 HydrophobicContact CG2-CD2 4.26Å; M179-L202 HydrophobicContact CE-CD2 4.17Å; L186-L202 HydrophobicContact CD1-CB 3.51Å; L186-L202 HydrophobicContact CD1-CD1 3.63Å; L186-L202 HydrophobicContact CD1-CG 4.2Å; L186-L202 HydrophobicContact CD2-CD1 4.31Å; L198-L202 HydrophobicContact CD1-CD1 4.04Å; L198-L202 HydrophobicContact CD1-CG 4.26Å; L198-L202 HydrophobicContact CG-CD1 4.05Å; L198-L202 WeakPolarHBondContact O-CG 3.46Å; L198-L202 PolarHBondContact O-N 3.13Å; L202-H204 VanDerWaalsContact C-N 3.33Å; L202-H204 PolarHBondContact O-N 3.34Å; L202-V205 PolarHBondContact O-N 3.25Å; L202-A206 WeakPolarHBondContact O-CB 3.45Å; L202-A206 PolarHBondContact O-N 3.33Å; L202-L238 HydrophobicContact CD1-CD1 4.27Å; L202-L238 HydrophobicContact CD1-CD2 4.32Å; L202-L238 HydrophobicContact CD2-CD2 4.2Å; L202-L242 HydrophobicContact CD2-CD1 3.84Å; L202-L242 HydrophobicContact CD2-CD2 4.32Å; L202-L242 HydrophobicContact CD2-CG 4.29Å; L202-L242 HydrophobicContact CG-CD1 4.04Å
203	N	92.9	Very high	89.8	Confident	31 Å²	31	48.8 Å²	48.8	17%	0.166	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-36.9	174.6	-73.6	-42.9	0	0	0	112.4	S183 V199 A200 A201 A206 K207	S183-N203 WeakPolarHBondContact CB-OD1 3.13Å; S183-N203 PolarHBondContact OG-OD1 3.07Å; V199-N203 WeakPolarHBondContact CG1-ND2 3.44Å; V199-N203 WeakPolarHBondContact O-CB 3.39Å; V199-N203 VanDerWaalsContact O-CG 3.26Å; V199-N203 PolarHBondContact O-N 3.42Å; V199-N203 PolarHBondContact O-ND2 3.22Å; A200-N203 PolarHBondContact O-N 2.95Å; A201-N203 PolarHBondContact O-N 3.08Å; N203-A206 PolarHBondContact O-N 3.16Å; N203-K207 PolarHBondContact O-N 2.68Å; N203-K207 VanDerWaalsContact O-N 3.13Å
204	H	92.9	Very high	90.4	Very high	57 Å²	57	48.7 Å²	48.7	26%	0.264	27%	0.266	S	S	.	.	H	α-helix	trans	-65.2	-47.5	175.5	-172.8	-78.8	0	0	0	111.3	A200 A201 L202 A206 K207 H208 K210 L215	A200-H204 WeakPolarHBondContact O-CB 3.35Å; A200-H204 PolarHBondContact O-N 3.37Å; A201-H204 WeakPolarHBondContact O-CB 3.48Å; A201-H204 PolarHBondContact O-N 3.18Å; L202-H204 VanDerWaalsContact C-N 3.33Å; L202-H204 PolarHBondContact O-N 3.34Å; H204-A206 VanDerWaalsContact C-N 3.31Å; H204-A206 PolarHBondContact O-N 2.75Å; H204-K207 PolarHBondContact O-N 2.64Å; H204-K207 VanDerWaalsContact O-N 3.15Å; H204-H208 AromaticContact CD2-CD2 3.73Å; H204-H208 AromaticContact CE1-CD2 3.69Å; H204-H208 AromaticContact ND1-CD2 4Å; H204-H208 AromaticContact NE2-CD2 3.51Å; H204-H208 WeakPolarHBondContact O-CB 3.34Å; H204-H208 PolarHBondContact O-N 2.98Å; H204-K210 PolarHBondContact CE1-O 3.38Å; H204-K210 PolarHBondContact ND1-O 3.02Å; H204-L215 HydrophobicContact CB-CD2 3.61Å
205	V	93	Very high	90.8	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.03	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-40.5	176.3	177	0	0	0	0	110.5	M179 A201 L202 K207 H208 G209 L211 L242 V268	M179-V205 HydrophobicContact CE-CB 3.9Å; M179-V205 HydrophobicContact CE-CG1 3.74Å; M179-V205 HydrophobicContact SD-CG1 4.47Å; A201-V205 WeakPolarHBondContact O-CG2 3.42Å; A201-V205 PolarHBondContact O-N 2.87Å; L202-V205 PolarHBondContact O-N 3.25Å; V205-K207 VanDerWaalsContact C-N 3.25Å; V205-K207 PolarHBondContact O-N 3.49Å; V205-H208 PolarHBondContact O-N 3.34Å; V205-G209 WeakPolarHBondContact O-CA 3.37Å; V205-G209 PolarHBondContact O-N 2.9Å; V205-L211 HydrophobicContact CG2-CB 4.07Å; V205-L211 HydrophobicContact CG2-CD1 4.28Å; V205-L242 HydrophobicContact CG2-CD2 4.12Å; V205-V268 HydrophobicContact CG1-CG1 3.94Å
206	A	93.1	Very high	91	Very high	35 Å²	35	45.4 Å²	45.4	29%	0.289	25%	0.25	S	S	.	.	H	α-helix	trans	-60.9	-33.3	175.8	0	0	0	0	0	113.5	M179 L202 N203 H204	M179-A206 HydrophobicContact CB-CB 3.9Å; M179-A206 HydrophobicContact CE-CB 4.44Å; M179-A206 WeakPolarHBondContact O-CB 3.36Å; L202-A206 WeakPolarHBondContact O-CB 3.45Å; L202-A206 PolarHBondContact O-N 3.33Å; N203-A206 PolarHBondContact O-N 3.16Å; H204-A206 VanDerWaalsContact C-N 3.31Å; H204-A206 PolarHBondContact O-N 2.75Å
207	K	91.9	Very high	91.1	Very high	164 Å²	164	50.6 Å²	50.6	71%	0.713	27%	0.265	S	S	*	.	H	α-helix	trans	-85.8	-36.8	-179.6	-174	177.3	174.6	-170.7	0	113.5	N203 H204 V205	N203-K207 PolarHBondContact O-N 2.68Å; N203-K207 VanDerWaalsContact O-N 3.13Å; H204-K207 PolarHBondContact O-N 2.64Å; H204-K207 VanDerWaalsContact O-N 3.15Å; V205-K207 VanDerWaalsContact C-N 3.25Å; V205-K207 PolarHBondContact O-N 3.49Å
208	H	90.4	Very high	91.2	Very high	106 Å²	106	54.2 Å²	54.2	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-116.6	-6.3	-168.1	-64.8	-69.8	0	0	0	114	H204 V205 K210	H204-H208 AromaticContact CD2-CD2 3.73Å; H204-H208 AromaticContact CE1-CD2 3.69Å; H204-H208 AromaticContact ND1-CD2 4Å; H204-H208 AromaticContact NE2-CD2 3.51Å; H204-H208 WeakPolarHBondContact O-CB 3.34Å; H204-H208 PolarHBondContact O-N 2.98Å; V205-H208 PolarHBondContact O-N 3.34Å; H208-K210 PolarHBondContact O-N 3.24Å
209	G	88.6	Confident	91.3	Very high	38 Å²	38	54.2 Å²	54.2	39%	0.392	28%	0.278	S	S	.	.	S	Bend	trans	70.5	-9.9	-175	0	0	0	0	0	114.7	V205	V205-G209 WeakPolarHBondContact O-CA 3.37Å; V205-G209 PolarHBondContact O-N 2.9Å
210	K	89.5	Confident	91.1	Very high	114 Å²	114	57.7 Å²	57.7	50%	0.496	29%	0.293	S	S	.	.	S	Bend	trans	-134.4	154.4	-174.7	-65.5	-177.2	177.7	-179.3	0	111.6	H204 H208 V268 P270	H204-K210 PolarHBondContact CE1-O 3.38Å; H204-K210 PolarHBondContact ND1-O 3.02Å; H208-K210 PolarHBondContact O-N 3.24Å; K210-V268 CarbonylContact C-O 3.49Å; K210-V268 VanDerWaalsContact CA-O 3.27Å; K210-V268 WeakPolarHBondContact CA-O 3.44Å; K210-P270 HydrophobicContact CD-CG 3.83Å
211	L	89.6	Confident	91.1	Very high	9 Å²	9	60.1 Å²	60.1	5%	0.047	30%	0.303	C	S	.	.			trans	-91.7	127.6	174	-174.7	62.8	0	0	0	109.9	A201 V205 L215 K216 L242 V268	A201-L211 HydrophobicContact CB-CD1 3.8Å; V205-L211 HydrophobicContact CG2-CB 4.07Å; V205-L211 HydrophobicContact CG2-CD1 4.28Å; L211-L215 HydrophobicContact CD1-CB 4.31Å; L211-L215 HydrophobicContact CD1-CD2 4.13Å; L211-L215 HydrophobicContact CD1-CG 4.14Å; L211-K216 HydrophobicContact CD2-CB 3.86Å; L211-K216 HydrophobicContact CD2-CG 4.11Å; L211-K216 HydrophobicContact CG-CB 4.21Å; L211-L242 HydrophobicContact CD2-CB 4.41Å; L211-V268 PolarHBondContact N-O 2.94Å
212	D	88.4	Confident	91.1	Very high	66 Å²	66	61.2 Å²	61.2	35%	0.353	31%	0.308	S	S	.	.			trans	-73.1	148.4	174.6	171.9	64.3	0	0	0	112.4	E214 L215 K216	D212-E214 PolarHBondContact O-N 2.95Å; D212-E214 WeakPolarHBondContact OD2-CA 3.32Å; D212-E214 WeakPolarHBondContact OD2-CB 3.38Å; D212-E214 PolarHBondContact OD2-N 3.5Å; D212-L215 HydrophobicContact CB-CB 4.35Å; D212-L215 PolarHBondContact O-N 3.46Å; D212-L215 PolarHBondContact OD2-N 2.95Å; D212-K216 WeakPolarHBondContact O-CB 3.29Å; D212-K216 PolarHBondContact O-N 2.86Å
213	S	88	Confident	91	Very high	49 Å²	49	61.9 Å²	61.9	34%	0.343	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-35.3	-176.5	70.2	0	0	0	0	114.1	K217	S213-K217 WeakPolarHBondContact O-CG 3.44Å; S213-K217 PolarHBondContact O-N 3.18Å
214	E	90.4	Very high	90.8	Very high	110 Å²	110	68.6 Å²	68.6	51%	0.514	33%	0.334	S	S	.	.	H	α-helix	trans	-72.3	-44.5	177.3	-167.4	-168.8	148.3	0	0	110	D212 K216 K217 K218	D212-E214 PolarHBondContact O-N 2.95Å; D212-E214 WeakPolarHBondContact OD2-CA 3.32Å; D212-E214 WeakPolarHBondContact OD2-CB 3.38Å; D212-E214 PolarHBondContact OD2-N 3.5Å; E214-K216 VanDerWaalsContact C-N 3.3Å; E214-K216 PolarHBondContact O-N 3.42Å; E214-K217 WeakPolarHBondContact O-CB 3.44Å; E214-K217 PolarHBondContact O-N 2.88Å; E214-K217 VanDerWaalsContact O-N 3.15Å; E214-K218 PolarHBondContact O-N 2.85Å; E214-K218 WeakPolarHBondContact OE1-CE 3.42Å; E214-K218 IonicContact OE1-NZ 2.65Å; E214-K218 PolarHBondContact OE1-NZ 3.13Å
215	L	90.8	Very high	90.6	Very high	25 Å²	25	73 Å²	73	13%	0.131	35%	0.354	C	S	.	.	H	α-helix	trans	-63.2	-38.6	178.4	-167.5	52.8	0	0	0	111.5	T197 A200 A201 H204 L211 D212 K218 L219	T197-L215 HydrophobicContact CG2-CD1 3.96Å; A200-L215 HydrophobicContact CB-CD1 4.14Å; A201-L215 HydrophobicContact CB-CD2 4.15Å; A201-L215 HydrophobicContact CB-CG 4.09Å; H204-L215 HydrophobicContact CB-CD2 3.61Å; L211-L215 HydrophobicContact CD1-CB 4.31Å; L211-L215 HydrophobicContact CD1-CD2 4.13Å; L211-L215 HydrophobicContact CD1-CG 4.14Å; D212-L215 HydrophobicContact CB-CB 4.35Å; D212-L215 PolarHBondContact O-N 3.46Å; D212-L215 PolarHBondContact OD2-N 2.95Å; L215-K218 PolarHBondContact O-N 3.45Å; L215-L219 VanDerWaalsContact O-CB 3.31Å; L215-L219 WeakPolarHBondContact O-CB 3.27Å; L215-L219 PolarHBondContact O-N 3.05Å
216	K	89.3	Confident	90.2	Very high	21 Å²	21	73.2 Å²	73.2	9%	0.091	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-43.8	172	-175.9	-179.7	-179.6	-175.4	0	112.7	L211 D212 E214 L219 K220 L243 D269	L211-K216 HydrophobicContact CD2-CB 3.86Å; L211-K216 HydrophobicContact CD2-CG 4.11Å; L211-K216 HydrophobicContact CG-CB 4.21Å; D212-K216 WeakPolarHBondContact O-CB 3.29Å; D212-K216 PolarHBondContact O-N 2.86Å; E214-K216 VanDerWaalsContact C-N 3.3Å; E214-K216 PolarHBondContact O-N 3.42Å; K216-L219 PolarHBondContact O-N 3.44Å; K216-K220 WeakPolarHBondContact O-CG 3.04Å; K216-K220 PolarHBondContact O-N 3.34Å; K216-L243 HydrophobicContact CG-CD2 4.08Å; K216-D269 WeakPolarHBondContact CD-OD2 3.42Å; K216-D269 WeakPolarHBondContact CE-OD2 3.2Å; K216-D269 IonicContact NZ-OD2 2.75Å; K216-D269 PolarHBondContact NZ-OD2 3.18Å
217	K	90.8	Very high	89.7	Confident	151 Å²	151	75.5 Å²	75.5	66%	0.657	36%	0.362	S	S	*	.	H	α-helix	trans	-61	-45.7	177	-74	172.7	-174	173.9	0	110.9	S213 E214 L219 K220 V221	S213-K217 WeakPolarHBondContact O-CG 3.44Å; S213-K217 PolarHBondContact O-N 3.18Å; E214-K217 WeakPolarHBondContact O-CB 3.44Å; E214-K217 PolarHBondContact O-N 2.88Å; E214-K217 VanDerWaalsContact O-N 3.15Å; K217-L219 VanDerWaalsContact C-N 3.35Å; K217-K220 PolarHBondContact O-N 2.89Å; K217-V221 WeakPolarHBondContact O-CG2 3.22Å; K217-V221 PolarHBondContact O-N 2.92Å
218	K	93.6	Very high	89.1	Confident	106 Å²	106	72 Å²	72	46%	0.461	36%	0.363	S	S	.	.	H	α-helix	trans	-61.2	-43.9	175.2	-66.7	176.2	-176	168.1	0	111.2	T197 E214 L215 K220 V221 E222	T197-K218 HydrophobicContact CG2-CB 3.6Å; E214-K218 PolarHBondContact O-N 2.85Å; E214-K218 WeakPolarHBondContact OE1-CE 3.42Å; E214-K218 IonicContact OE1-NZ 2.65Å; E214-K218 PolarHBondContact OE1-NZ 3.13Å; L215-K218 PolarHBondContact O-N 3.45Å; K218-K220 VanDerWaalsContact C-N 3.33Å; K218-K220 PolarHBondContact O-N 2.92Å; K218-V221 WeakPolarHBondContact O-CB 3.48Å; K218-V221 PolarHBondContact O-N 3.27Å; K218-E222 PolarHBondContact O-N 3.27Å
219	L	91.9	Very high	88.7	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61.8	-39.8	179.9	-170.5	67.6	0	0	0	112	T197 L198 A201 L215 K216 K217 V221 E222 W223 Y239 L242 L243	T197-L219 HydrophobicContact CG2-CB 4.16Å; T197-L219 HydrophobicContact CG2-CD1 4.29Å; L198-L219 HydrophobicContact CB-CD1 3.97Å; L198-L219 HydrophobicContact CD1-CD1 4.11Å; A201-L219 HydrophobicContact CB-CD1 4.32Å; A201-L219 HydrophobicContact CB-CD2 4.07Å; L215-L219 VanDerWaalsContact O-CB 3.31Å; L215-L219 WeakPolarHBondContact O-CB 3.27Å; L215-L219 PolarHBondContact O-N 3.05Å; K216-L219 PolarHBondContact O-N 3.44Å; K217-L219 VanDerWaalsContact C-N 3.35Å; L219-V221 VanDerWaalsContact C-N 3.31Å; L219-V221 PolarHBondContact O-N 3.35Å; L219-E222 PolarHBondContact O-N 3.44Å; L219-W223 WeakPolarHBondContact O-CB 3.37Å; L219-W223 PolarHBondContact O-N 3.06Å; L219-Y239 HydrophobicContact CD1-CD1 3.83Å; L219-Y239 HydrophobicContact CD1-CE1 3.51Å; L219-Y239 HydrophobicContact CG-CD1 4.13Å; L219-Y239 HydrophobicContact CG-CE1 4.22Å; L219-L242 HydrophobicContact CD2-CB 3.85Å; L219-L242 HydrophobicContact CD2-CD1 3.88Å; L219-L243 HydrophobicContact CB-CD2 4.19Å; L219-L243 HydrophobicContact CD2-CD1 4.42Å; L219-L243 HydrophobicContact CD2-CD2 3.73Å; L219-L243 HydrophobicContact CD2-CG 3.88Å; L219-L243 HydrophobicContact CG-CD1 4.22Å; L219-L243 HydrophobicContact CG-CD2 4.02Å; L219-L243 HydrophobicContact CG-CG 4.2Å
220	K	90.4	Very high	88.5	Confident	78 Å²	78	72 Å²	72	34%	0.339	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-34.4	173.3	-73.8	-175.2	176.7	-173.4	0	112.9	K216 K217 K218 R224 L243	K216-K220 WeakPolarHBondContact O-CG 3.04Å; K216-K220 PolarHBondContact O-N 3.34Å; K217-K220 PolarHBondContact O-N 2.89Å; K218-K220 VanDerWaalsContact C-N 3.33Å; K218-K220 PolarHBondContact O-N 2.92Å; K220-R224 VanDerWaalsContact O-CG 3.31Å; K220-R224 WeakPolarHBondContact O-CG 3.33Å; K220-R224 PolarHBondContact O-N 3.34Å; K220-R224 PolarHBondContact O-NH1 3.32Å; K220-L243 HydrophobicContact CG-CD1 4.2Å; K220-L243 HydrophobicContact CG-CD2 3.62Å
221	V	92.2	Very high	88.2	Confident	96 Å²	96	75.6 Å²	75.6	58%	0.582	37%	0.369	S	S	*	.	H	α-helix	trans	-71.8	-47.9	177.3	173.9	0	0	0	0	110.3	K217 K218 L219 W223 R224 H225	K217-V221 WeakPolarHBondContact O-CG2 3.22Å; K217-V221 PolarHBondContact O-N 2.92Å; K218-V221 WeakPolarHBondContact O-CB 3.48Å; K218-V221 PolarHBondContact O-N 3.27Å; L219-V221 VanDerWaalsContact C-N 3.31Å; L219-V221 PolarHBondContact O-N 3.35Å; V221-W223 VanDerWaalsContact C-N 3.34Å; V221-W223 PolarHBondContact O-N 2.93Å; V221-R224 PolarHBondContact O-N 3.47Å; V221-H225 PolarHBondContact O-N 3.02Å; V221-H225 VanDerWaalsContact O-N 3.14Å
222	E	91.9	Very high	88.1	Confident	22 Å²	22	75.3 Å²	75.3	10%	0.103	37%	0.368	C	S	.	.	H	α-helix	trans	-56.7	-47.6	175.6	-176.9	179.6	89.8	0	0	111.2	T197 L198 K218 L219 R224 H225 N226 Y239	T197-E222 WeakPolarHBondContact CA-OE2 3.46Å; T197-E222 VanDerWaalsContact CB-CD 3.41Å; T197-E222 WeakPolarHBondContact CB-OE2 3.16Å; T197-E222 PolarHBondContact N-OE2 2.96Å; T197-E222 PolarHBondContact OG1-OE2 3.35Å; L198-E222 PolarHBondContact N-OE1 2.9Å; K218-E222 PolarHBondContact O-N 3.27Å; L219-E222 PolarHBondContact O-N 3.44Å; E222-R224 PolarHBondContact O-N 2.92Å; E222-H225 PolarHBondContact O-N 3.31Å; E222-H225 VanDerWaalsContact O-N 3.17Å; E222-N226 WeakPolarHBondContact CG-ND2 3.43Å; E222-N226 WeakPolarHBondContact O-CB 3.48Å; E222-N226 PolarHBondContact O-N 2.91Å; E222-N226 PolarHBondContact O-ND2 2.97Å; E222-Y239 PolarHBondContact OE1-OH 2.95Å
223	W	90.7	Very high	88	Confident	17 Å²	17	75.9 Å²	75.9	6%	0.064	37%	0.367	C	S	.	.	H	α-helix	trans	-59.2	-44.3	178.2	175	-120.3	0	0	0	112.9	L219 V221 H225 N226 L227 T230 R236 Y239 L243 L246	L219-W223 WeakPolarHBondContact O-CB 3.37Å; L219-W223 PolarHBondContact O-N 3.06Å; V221-W223 VanDerWaalsContact C-N 3.34Å; V221-W223 PolarHBondContact O-N 2.93Å; W223-H225 VanDerWaalsContact C-N 3.27Å; W223-H225 PolarHBondContact O-N 2.72Å; W223-N226 PolarHBondContact O-N 2.84Å; W223-L227 HydrophobicContact CH2-CD1 3.73Å; W223-L227 HydrophobicContact CZ2-CD1 3.19Å; W223-L227 WeakPolarHBondContact O-CB 3.24Å; W223-L227 PolarHBondContact O-N 3.4Å; W223-T230 HydrophobicContact CZ3-CG2 4.49Å; W223-R236 HydrophobicContact CH2-CB 4.2Å; W223-R236 HydrophobicContact CH2-CG 3.94Å; W223-R236 HydrophobicContact CZ3-CG 4.26Å; W223-Y239 HydrophobicContact CB-CD1 3.92Å; W223-Y239 HydrophobicContact CB-CE1 4.12Å; W223-Y239 HydrophobicContact CD2-CD1 4.37Å; W223-Y239 HydrophobicContact CD2-CD2 4.39Å; W223-Y239 HydrophobicContact CD2-CG 4.09Å; W223-Y239 HydrophobicContact CE3-CD1 4.07Å; W223-Y239 AromaticContact CE3-CD2 3.43Å; W223-Y239 HydrophobicContact CE3-CD2 3.43Å; W223-Y239 VanDerWaalsContact CE3-CD2 3.43Å; W223-Y239 HydrophobicContact CE3-CE1 4.43Å; W223-Y239 AromaticContact CE3-CE2 3.84Å; W223-Y239 HydrophobicContact CE3-CE2 3.84Å; W223-Y239 AromaticContact CE3-CG 3.57Å; W223-Y239 HydrophobicContact CE3-CG 3.57Å; W223-Y239 HydrophobicContact CG-CD1 4.35Å; W223-Y239 AromaticContact CZ3-CD2 3.67Å; W223-Y239 HydrophobicContact CZ3-CD2 3.67Å; W223-Y239 HydrophobicContact CZ3-CE2 4.2Å; W223-Y239 HydrophobicContact CZ3-CG 4.13Å; W223-L243 HydrophobicContact CB-CD1 4.06Å; W223-L243 HydrophobicContact CG-CD1 4.26Å; W223-L246 HydrophobicContact CD2-CD1 4.3Å; W223-L246 HydrophobicContact CG-CD1 4.29Å; W223-L246 HydrophobicContact CZ2-CD1 4.21Å; W223-L246 VanDerWaalsContact NE1-CD1 3.34Å; W223-L246 VanDerWaalsContact NE1-CD2 3.26Å
224	R	88.6	Confident	88.1	Confident	172 Å²	172	74.5 Å²	74.5	65%	0.649	36%	0.355	S	S	*	.	H	α-helix	trans	-61.9	-36.1	177.8	-76.4	-177.3	-168.6	109.8	-7.6	112.6	K220 V221 E222	K220-R224 VanDerWaalsContact O-CG 3.31Å; K220-R224 WeakPolarHBondContact O-CG 3.33Å; K220-R224 PolarHBondContact O-N 3.34Å; K220-R224 PolarHBondContact O-NH1 3.32Å; V221-R224 PolarHBondContact O-N 3.47Å; E222-R224 PolarHBondContact O-N 2.92Å
225	H	88.3	Confident	88.1	Confident	148 Å²	148	69.3 Å²	69.3	69%	0.685	33%	0.33	S	S	*	.	H	α-helix	trans	-70.9	-37.6	177.4	-169.1	70.1	0	0	0	111.8	V221 E222 W223	V221-H225 PolarHBondContact O-N 3.02Å; V221-H225 VanDerWaalsContact O-N 3.14Å; E222-H225 PolarHBondContact O-N 3.31Å; E222-H225 VanDerWaalsContact O-N 3.17Å; W223-H225 VanDerWaalsContact C-N 3.27Å; W223-H225 PolarHBondContact O-N 2.72Å
226	N	85.4	Confident	88	Confident	11 Å²	11	71.6 Å²	71.6	6%	0.059	34%	0.337	C	S	.	.	H	α-helix	trans	-92.8	-8.2	-173.6	-64.1	-15.4	0	0	0	114.7	Q194 E222 W223 A228 H229 T230	Q194-N226 PolarHBondContact O-ND2 3.32Å; E222-N226 WeakPolarHBondContact CG-ND2 3.43Å; E222-N226 WeakPolarHBondContact O-CB 3.48Å; E222-N226 PolarHBondContact O-N 2.91Å; E222-N226 PolarHBondContact O-ND2 2.97Å; W223-N226 PolarHBondContact O-N 2.84Å; N226-A228 VanDerWaalsContact C-N 3.28Å; N226-A228 PolarHBondContact O-N 3.09Å; N226-A228 VanDerWaalsContact O-N 3.16Å; N226-H229 PolarHBondContact O-N 2.97Å; N226-T230 PolarHBondContact O-N 3.26Å; N226-T230 PolarHBondContact O-OG1 3.09Å
227	L	82.2	Confident	88	Confident	82 Å²	82	70.6 Å²	70.6	43%	0.429	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-42.4	-171.1	177.3	65.9	0	0	0	113.6	W223 H229 R236	W223-L227 HydrophobicContact CH2-CD1 3.73Å; W223-L227 HydrophobicContact CZ2-CD1 3.19Å; W223-L227 WeakPolarHBondContact O-CB 3.24Å; W223-L227 PolarHBondContact O-N 3.4Å; L227-H229 VanDerWaalsContact C-N 3.35Å; L227-R236 PolarHBondContact O-NH1 2.66Å
228	A	79.9	Confident	88.1	Confident	90 Å²	90	63.5 Å²	63.5	74%	0.744	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.9	-177.9	0	0	0	0	0	113.6	N226	N226-A228 VanDerWaalsContact C-N 3.28Å; N226-A228 PolarHBondContact O-N 3.09Å; N226-A228 VanDerWaalsContact O-N 3.16Å
229	H	81.6	Confident	88	Confident	137 Å²	137	58.4 Å²	58.4	63%	0.634	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-21.6	-171.4	-60.4	-61.8	0	0	0	113.3	N226 L227 K231	N226-H229 PolarHBondContact O-N 2.97Å; L227-H229 VanDerWaalsContact C-N 3.35Å; H229-K231 PolarHBondContact O-N 2.93Å
230	T	84.1	Confident	87.8	Confident	7 Å²	7	58.6 Å²	58.6	4%	0.043	28%	0.282	C	S	.	.			trans	-77.3	105.8	-179.8	-50.7	0	0	0	0	110.5	W223 N226 K235 R236	W223-T230 HydrophobicContact CZ3-CG2 4.49Å; N226-T230 PolarHBondContact O-N 3.26Å; N226-T230 PolarHBondContact O-OG1 3.09Å; T230-K235 HydrophobicContact CG2-CB 4.07Å; T230-K235 HydrophobicContact CG2-CD 3.69Å; T230-K235 HydrophobicContact CG2-CG 3.79Å; T230-R236 HydrophobicContact CG2-CG 3.7Å; T230-R236 WeakPolarHBondContact O-CD 3.39Å; T230-R236 PolarHBondContact O-NH1 3.13Å; T230-R236 VanDerWaalsContact O-NH1 3.08Å
231	K	84.4	Confident	87.8	Confident	190 Å²	190	55 Å²	55	83%	0.826	27%	0.266	S	S	*	.			trans	-95	-29.5	-179.8	-67.4	-177.2	-179.5	179.2	0	112.1	E157 H229 K233	E157-K231 PolarHBondContact OE2-N 3.07Å; H229-K231 PolarHBondContact O-N 2.93Å; K231-K233 PolarHBondContact O-N 3.19Å; K231-K233 VanDerWaalsContact O-N 3.17Å
232	D	86.6	Confident	87.7	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.016	24%	0.239	C	C	.	.			trans	-62.7	113.5	179.7	-174.1	-43.8	0	0	0	111.4	F154 E157 Y234 K235 R236	F154-D232 HydrophobicContact CZ-CB 4.26Å; F154-D232 WeakPolarHBondContact CZ-OD2 3.48Å; E157-D232 HydrophobicContact CB-CB 4.07Å; E157-D232 WeakPolarHBondContact OE2-CB 3.44Å; E157-D232 PolarHBondContact OE2-N 3.24Å; D232-Y234 VanDerWaalsContact C-N 3.27Å; D232-Y234 PolarHBondContact O-N 3.38Å; D232-Y234 WeakPolarHBondContact OD1-CA 3.4Å; D232-Y234 WeakPolarHBondContact OD1-CB 3.35Å; D232-Y234 PolarHBondContact OD1-N 3.45Å; D232-K235 HydrophobicContact CB-CB 3.84Å; D232-K235 PolarHBondContact O-N 3.48Å; D232-K235 PolarHBondContact OD1-N 3.47Å; D232-R236 VanDerWaalsContact O-CG 3.3Å; D232-R236 WeakPolarHBondContact O-CG 3.47Å; D232-R236 PolarHBondContact O-N 3.02Å
233	K	87.3	Confident	87.4	Confident	78 Å²	78	50 Å²	50	34%	0.339	24%	0.237	S	C	.	.	H	α-helix	trans	-62	-32	-178.5	66.1	-178.3	-179.9	-179.3	0	113.2	K231 A237 A250 L251	K231-K233 PolarHBondContact O-N 3.19Å; K231-K233 VanDerWaalsContact O-N 3.17Å; K233-A237 WeakPolarHBondContact O-CB 3.38Å; K233-A237 PolarHBondContact O-N 3.06Å; K233-A250 HydrophobicContact CB-CB 4.37Å; K233-L251 HydrophobicContact CD-CD2 4.02Å; K233-L251 HydrophobicContact CG-CD2 4.42Å
234	Y	89.6	Confident	86.8	Confident	20 Å²	20	49.8 Å²	49.8	8%	0.078	24%	0.24	C	C	.	.	H	α-helix	trans	-76.2	-38.6	179.5	-60.9	-73.2	0	0	0	111.4	Q168 Y171 H172 D232 A237 L238 L251	Q168-Y234 HydrophobicContact CB-CD1 4.46Å; Q168-Y234 HydrophobicContact CB-CD2 3.56Å; Q168-Y234 HydrophobicContact CB-CE2 3.77Å; Q168-Y234 HydrophobicContact CB-CG 3.95Å; Q168-Y234 VanDerWaalsContact CD-CE2 3.47Å; Q168-Y234 HydrophobicContact CG-CD1 4.27Å; Q168-Y234 HydrophobicContact CG-CD2 3.77Å; Q168-Y234 HydrophobicContact CG-CE1 3.99Å; Q168-Y234 HydrophobicContact CG-CE2 3.44Å; Q168-Y234 VanDerWaalsContact CG-CE2 3.44Å; Q168-Y234 HydrophobicContact CG-CG 4.17Å; Q168-Y234 PolarHBondContact NE2-OH 2.87Å; Q168-Y234 VanDerWaalsContact NE2-OH 3.15Å; Y171-Y234 AromaticContact CD1-CD1 3.51Å; Y171-Y234 HydrophobicContact CD1-CD1 3.51Å; Y171-Y234 AromaticContact CD1-CE1 3.9Å; Y171-Y234 HydrophobicContact CD1-CE1 3.9Å; Y171-Y234 HydrophobicContact CE1-CD1 4.24Å; Y171-Y234 HydrophobicContact CE1-CE1 4.34Å; Y171-Y234 AromaticContact CG-CD1 3.79Å; Y171-Y234 HydrophobicContact CG-CD1 3.79Å; H172-Y234 AromaticContact CE1-CE1 3.59Å; D232-Y234 VanDerWaalsContact C-N 3.27Å; D232-Y234 PolarHBondContact O-N 3.38Å; D232-Y234 WeakPolarHBondContact OD1-CA 3.4Å; D232-Y234 WeakPolarHBondContact OD1-CB 3.35Å; D232-Y234 PolarHBondContact OD1-N 3.45Å; Y234-A237 PolarHBondContact O-N 3.36Å; Y234-L238 WeakPolarHBondContact O-CG 3.42Å; Y234-L238 PolarHBondContact O-N 3.21Å; Y234-L251 HydrophobicContact CD1-CD1 3.46Å; Y234-L251 VanDerWaalsContact CD1-CD1 3.46Å; Y234-L251 HydrophobicContact CD1-CD2 4.42Å; Y234-L251 HydrophobicContact CE1-CD1 3.71Å; Y234-L251 HydrophobicContact CE1-CD2 3.85Å; Y234-L251 HydrophobicContact CE1-CG 4.49Å; Y234-L251 HydrophobicContact CG-CD1 4.3Å
235	K	89.8	Confident	85.7	Confident	1 Å²	1	45.1 Å²	45.1	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-46.4	171.2	-174.6	172.4	171.3	-178.7	0	111.2	E157 D158 W167 L198 T230 D232 A237 L238 Y239	E157-K235 IonicContact OE1-NZ 3.98Å; E157-K235 PolarHBondContact OE1-NZ 3.17Å; D158-K235 IonicContact OD1-NZ 3.68Å; D158-K235 IonicContact OD2-NZ 2.8Å; D158-K235 PolarHBondContact OD2-NZ 3.49Å; W167-K235 HydrophobicContact CB-CB 4.3Å; W167-K235 HydrophobicContact CD2-CB 3.97Å; W167-K235 HydrophobicContact CD2-CD 4.23Å; W167-K235 HydrophobicContact CD2-CG 4.05Å; W167-K235 HydrophobicContact CE3-CB 4.47Å; W167-K235 HydrophobicContact CE3-CG 4.43Å; W167-K235 HydrophobicContact CG-CB 3.88Å; W167-K235 HydrophobicContact CG-CD 4.48Å; W167-K235 HydrophobicContact CG-CG 4.41Å; W167-K235 HydrophobicContact CZ2-CD 3.95Å; W167-K235 HydrophobicContact CZ2-CG 4.21Å; L198-K235 HydrophobicContact CD2-CG 4.27Å; T230-K235 HydrophobicContact CG2-CB 4.07Å; T230-K235 HydrophobicContact CG2-CD 3.69Å; T230-K235 HydrophobicContact CG2-CG 3.79Å; D232-K235 HydrophobicContact CB-CB 3.84Å; D232-K235 PolarHBondContact O-N 3.48Å; D232-K235 PolarHBondContact OD1-N 3.47Å; K235-A237 VanDerWaalsContact C-N 3.32Å; K235-A237 PolarHBondContact O-N 3.02Å; K235-L238 PolarHBondContact O-N 3.46Å; K235-Y239 HydrophobicContact CG-CD2 4.49Å; K235-Y239 HydrophobicContact CG-CE2 4.11Å; K235-Y239 VanDerWaalsContact O-CD2 3.28Å; K235-Y239 WeakPolarHBondContact O-CD2 3.41Å; K235-Y239 PolarHBondContact O-N 2.88Å
236	R	89.2	Confident	84.7	Confident	73 Å²	73	40.4 Å²	40.4	28%	0.275	23%	0.225	S	C	.	.	H	α-helix	trans	-59.8	-41.5	174.7	-63.9	174.5	71	88.6	2.5	112	W223 L227 T230 D232 Y239 A240	W223-R236 HydrophobicContact CH2-CB 4.2Å; W223-R236 HydrophobicContact CH2-CG 3.94Å; W223-R236 HydrophobicContact CZ3-CG 4.26Å; L227-R236 PolarHBondContact O-NH1 2.66Å; T230-R236 HydrophobicContact CG2-CG 3.7Å; T230-R236 WeakPolarHBondContact O-CD 3.39Å; T230-R236 PolarHBondContact O-NH1 3.13Å; T230-R236 VanDerWaalsContact O-NH1 3.08Å; D232-R236 VanDerWaalsContact O-CG 3.3Å; D232-R236 WeakPolarHBondContact O-CG 3.47Å; D232-R236 PolarHBondContact O-N 3.02Å; R236-Y239 PolarHBondContact O-N 2.98Å; R236-A240 PolarHBondContact O-N 3.03Å
237	A	90.2	Very high	83.4	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-36.5	177.8	0	0	0	0	0	113.2	Y171 K233 Y234 K235 A240 A241 L251 F261	Y171-A237 HydrophobicContact CD2-CB 3.88Å; Y171-A237 HydrophobicContact CE2-CB 3.85Å; K233-A237 WeakPolarHBondContact O-CB 3.38Å; K233-A237 PolarHBondContact O-N 3.06Å; Y234-A237 PolarHBondContact O-N 3.36Å; K235-A237 VanDerWaalsContact C-N 3.32Å; K235-A237 PolarHBondContact O-N 3.02Å; A237-A240 WeakPolarHBondContact O-CB 3.4Å; A237-A240 PolarHBondContact O-N 3.3Å; A237-A241 WeakPolarHBondContact O-CB 3.22Å; A237-A241 PolarHBondContact O-N 3.06Å; A237-L251 HydrophobicContact CB-CD1 3.61Å; A237-F261 HydrophobicContact CB-CE1 3.94Å; A237-F261 HydrophobicContact CB-CZ 3.81Å
238	L	92.1	Very high	82.4	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-39	174.3	-72.2	165.9	0	0	0	112.1	W167 T170 V174 L198 L202 Y234 K235 A241 L242	W167-L238 HydrophobicContact CE3-CD1 3.61Å; W167-L238 HydrophobicContact CZ3-CD1 4.09Å; T170-L238 HydrophobicContact CG2-CD1 3.84Å; T170-L238 HydrophobicContact CG2-CD2 4.32Å; V174-L238 HydrophobicContact CB-CD2 4.16Å; V174-L238 HydrophobicContact CG1-CD2 4.42Å; V174-L238 HydrophobicContact CG2-CD2 3.82Å; L198-L238 HydrophobicContact CD1-CB 4.33Å; L198-L238 HydrophobicContact CD2-CB 4.36Å; L202-L238 HydrophobicContact CD1-CD1 4.27Å; L202-L238 HydrophobicContact CD1-CD2 4.32Å; L202-L238 HydrophobicContact CD2-CD2 4.2Å; Y234-L238 WeakPolarHBondContact O-CG 3.42Å; Y234-L238 PolarHBondContact O-N 3.21Å; K235-L238 PolarHBondContact O-N 3.46Å; L238-A241 PolarHBondContact O-N 3.12Å; L238-L242 WeakPolarHBondContact O-CG 3.22Å; L238-L242 PolarHBondContact O-N 3.24Å
239	Y	91.1	Very high	81.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-44.8	169.4	-77.2	-74.1	0	0	0	111.5	L198 L219 E222 W223 K235 R236 A241 L242 L243	L198-Y239 HydrophobicContact CB-CE1 3.9Å; L198-Y239 HydrophobicContact CD1-CD1 4.15Å; L198-Y239 HydrophobicContact CD1-CE1 4.2Å; L198-Y239 HydrophobicContact CD1-CG 4.4Å; L198-Y239 HydrophobicContact CD2-CD2 3.96Å; L198-Y239 HydrophobicContact CD2-CE1 4.26Å; L198-Y239 HydrophobicContact CD2-CE2 3.6Å; L198-Y239 HydrophobicContact CD2-CG 4.43Å; L198-Y239 HydrophobicContact CG-CE1 4.34Å; L219-Y239 HydrophobicContact CD1-CD1 3.83Å; L219-Y239 HydrophobicContact CD1-CE1 3.51Å; L219-Y239 HydrophobicContact CG-CD1 4.13Å; L219-Y239 HydrophobicContact CG-CE1 4.22Å; E222-Y239 PolarHBondContact OE1-OH 2.95Å; W223-Y239 HydrophobicContact CB-CD1 3.92Å; W223-Y239 HydrophobicContact CB-CE1 4.12Å; W223-Y239 HydrophobicContact CD2-CD1 4.37Å; W223-Y239 HydrophobicContact CD2-CD2 4.39Å; W223-Y239 HydrophobicContact CD2-CG 4.09Å; W223-Y239 HydrophobicContact CE3-CD1 4.07Å; W223-Y239 AromaticContact CE3-CD2 3.43Å; W223-Y239 HydrophobicContact CE3-CD2 3.43Å; W223-Y239 VanDerWaalsContact CE3-CD2 3.43Å; W223-Y239 HydrophobicContact CE3-CE1 4.43Å; W223-Y239 AromaticContact CE3-CE2 3.84Å; W223-Y239 HydrophobicContact CE3-CE2 3.84Å; W223-Y239 AromaticContact CE3-CG 3.57Å; W223-Y239 HydrophobicContact CE3-CG 3.57Å; W223-Y239 HydrophobicContact CG-CD1 4.35Å; W223-Y239 AromaticContact CZ3-CD2 3.67Å; W223-Y239 HydrophobicContact CZ3-CD2 3.67Å; W223-Y239 HydrophobicContact CZ3-CE2 4.2Å; W223-Y239 HydrophobicContact CZ3-CG 4.13Å; K235-Y239 HydrophobicContact CG-CD2 4.49Å; K235-Y239 HydrophobicContact CG-CE2 4.11Å; K235-Y239 VanDerWaalsContact O-CD2 3.28Å; K235-Y239 WeakPolarHBondContact O-CD2 3.41Å; K235-Y239 PolarHBondContact O-N 2.88Å; R236-Y239 PolarHBondContact O-N 2.98Å; Y239-A241 PolarHBondContact O-N 3.25Å; Y239-L242 PolarHBondContact O-N 3.1Å; Y239-L243 HydrophobicContact CD1-CD1 4.44Å; Y239-L243 VanDerWaalsContact O-CB 3.32Å; Y239-L243 WeakPolarHBondContact O-CB 3.45Å; Y239-L243 WeakPolarHBondContact O-CG 3.48Å; Y239-L243 PolarHBondContact O-N 2.94Å
240	A	89	Confident	80.9	Confident	4 Å²	4	40.1 Å²	40.1	3%	0.033	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-44	178.5	0	0	0	0	0	112.5	R236 A237 L242 G244 L246 F261	R236-A240 PolarHBondContact O-N 3.03Å; A237-A240 WeakPolarHBondContact O-CB 3.4Å; A237-A240 PolarHBondContact O-N 3.3Å; A240-L242 VanDerWaalsContact C-N 3.29Å; A240-L242 PolarHBondContact O-N 3.33Å; A240-G244 WeakPolarHBondContact O-CA 3.39Å; A240-G244 PolarHBondContact O-N 2.82Å; A240-L246 HydrophobicContact CB-CB 3.91Å; A240-F261 HydrophobicContact CB-CD1 4.41Å
241	A	90	Very high	80.8	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-33.9	178.8	0	0	0	0	0	112.9	A237 L238 Y239 W260 F261 Y264 P265	A237-A241 WeakPolarHBondContact O-CB 3.22Å; A237-A241 PolarHBondContact O-N 3.06Å; L238-A241 PolarHBondContact O-N 3.12Å; Y239-A241 PolarHBondContact O-N 3.25Å; A241-W260 HydrophobicContact CB-CH2 3.75Å; A241-W260 HydrophobicContact CB-CZ3 3.9Å; A241-F261 HydrophobicContact CB-CD1 4.41Å; A241-F261 HydrophobicContact CB-CE1 4.35Å; A241-Y264 HydrophobicContact CB-CD1 3.94Å; A241-Y264 HydrophobicContact CB-CE1 4.37Å; A241-Y264 WeakPolarHBondContact O-CD1 3.36Å; A241-P265 WeakPolarHBondContact O-CA 3.32Å; A241-P265 WeakPolarHBondContact O-CG 3.47Å
242	L	89.7	Confident	80.7	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-89	-33.6	179.5	-65.6	-175.9	0	0	0	114	L198 A201 L202 V205 L211 L219 L238 Y239 A240 V268	L198-L242 HydrophobicContact CD1-CD1 3.95Å; A201-L242 HydrophobicContact CB-CD1 3.8Å; L202-L242 HydrophobicContact CD2-CD1 3.84Å; L202-L242 HydrophobicContact CD2-CD2 4.32Å; L202-L242 HydrophobicContact CD2-CG 4.29Å; L202-L242 HydrophobicContact CG-CD1 4.04Å; V205-L242 HydrophobicContact CG2-CD2 4.12Å; L211-L242 HydrophobicContact CD2-CB 4.41Å; L219-L242 HydrophobicContact CD2-CB 3.85Å; L219-L242 HydrophobicContact CD2-CD1 3.88Å; L238-L242 WeakPolarHBondContact O-CG 3.22Å; L238-L242 PolarHBondContact O-N 3.24Å; Y239-L242 PolarHBondContact O-N 3.1Å; A240-L242 VanDerWaalsContact C-N 3.29Å; A240-L242 PolarHBondContact O-N 3.33Å; L242-V268 HydrophobicContact CD2-CG2 4.37Å
243	L	85.9	Confident	80.4	Confident	12 Å²	12	38.4 Å²	38.4	6%	0.063	24%	0.241	C	C	.	.	H	α-helix	trans	-95.8	-28.3	-172.4	-67.7	179.6	0	0	0	113.9	K216 L219 K220 W223 Y239 L246	K216-L243 HydrophobicContact CG-CD2 4.08Å; L219-L243 HydrophobicContact CB-CD2 4.19Å; L219-L243 HydrophobicContact CD2-CD1 4.42Å; L219-L243 HydrophobicContact CD2-CD2 3.73Å; L219-L243 HydrophobicContact CD2-CG 3.88Å; L219-L243 HydrophobicContact CG-CD1 4.22Å; L219-L243 HydrophobicContact CG-CD2 4.02Å; L219-L243 HydrophobicContact CG-CG 4.2Å; K220-L243 HydrophobicContact CG-CD1 4.2Å; K220-L243 HydrophobicContact CG-CD2 3.62Å; W223-L243 HydrophobicContact CB-CD1 4.06Å; W223-L243 HydrophobicContact CG-CD1 4.26Å; Y239-L243 HydrophobicContact CD1-CD1 4.44Å; Y239-L243 VanDerWaalsContact O-CB 3.32Å; Y239-L243 WeakPolarHBondContact O-CB 3.45Å; Y239-L243 WeakPolarHBondContact O-CG 3.48Å; Y239-L243 PolarHBondContact O-N 2.94Å; L243-L246 HydrophobicContact CB-CD1 4.09Å; L243-L246 HydrophobicContact CD1-CD1 4.03Å
244	G	78.1	Confident	80.4	Confident	14 Å²	14	37.4 Å²	37.4	14%	0.144	24%	0.242	C	C	.	.	S	Bend	trans	68.9	157.6	-169.9	0	0	0	0	0	113.5	A240 L246	A240-G244 WeakPolarHBondContact O-CA 3.39Å; A240-G244 PolarHBondContact O-N 2.82Å; G244-L246 VanDerWaalsContact C-N 3.3Å; G244-L246 PolarHBondContact O-N 2.9Å
245	G	64.9	Low	80.4	Confident	73 Å²	73	37.8 Å²	37.8	75%	0.753	25%	0.245	S	C	*	.	S	Bend	trans	68.6	20.1	171.6	0	0	0	0	0	116
246	L	66.6	Low	80.5	Confident	49 Å²	49	40.8 Å²	40.8	26%	0.257	26%	0.259	S	S	.	.			trans	-107.7	141.9	176.1	-62.5	177.8	0	0	0	110.7	W223 A240 L243 G244 S248	W223-L246 HydrophobicContact CD2-CD1 4.3Å; W223-L246 HydrophobicContact CG-CD1 4.29Å; W223-L246 HydrophobicContact CZ2-CD1 4.21Å; W223-L246 VanDerWaalsContact NE1-CD1 3.34Å; W223-L246 VanDerWaalsContact NE1-CD2 3.26Å; A240-L246 HydrophobicContact CB-CB 3.91Å; L243-L246 HydrophobicContact CB-CD1 4.09Å; L243-L246 HydrophobicContact CD1-CD1 4.03Å; G244-L246 VanDerWaalsContact C-N 3.3Å; G244-L246 PolarHBondContact O-N 2.9Å; L246-S248 PolarHBondContact O-N 3.05Å
247	D	59	Low	80.6	Confident	147 Å²	147	38.1 Å²	38.1	79%	0.786	25%	0.25	S	S	*	.			trans	-66	103	175.1	-71.9	-30.2	0	0	0	110.3
248	S	61.2	Low	80.6	Confident	17 Å²	17	40.1 Å²	40.1	12%	0.119	26%	0.258	C	S	.	.			trans	-108	28.5	168	50.7	0	0	0	0	110.8	L246 A250 L251 A252	L246-S248 PolarHBondContact O-N 3.05Å; S248-A250 PolarHBondContact O-N 2.65Å; S248-L251 PolarHBondContact O-N 2.94Å; S248-A252 PolarHBondContact O-N 3.38Å; S248-A252 VanDerWaalsContact O-N 3.17Å
249	A	60.9	Low	80.6	Confident	79 Å²	79	40.2 Å²	40.2	65%	0.653	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-48.5	-31.7	-175.2	0	0	0	0	0	113.5	L251 A252	A249-L251 VanDerWaalsContact C-N 3.26Å; A249-L251 PolarHBondContact O-N 3.44Å; A249-A252 PolarHBondContact O-N 3.09Å
250	A	69.8	Low	80.7	Confident	71 Å²	71	40.2 Å²	40.2	59%	0.587	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-65.1	-20.4	177.9	0	0	0	0	0	115.3	K233 S248	K233-A250 HydrophobicContact CB-CB 4.37Å; S248-A250 PolarHBondContact O-N 2.65Å
251	L	81.5	Confident	80.9	Confident	17 Å²	17	40.7 Å²	40.7	9%	0.089	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-125	4.9	178	-62.7	-177.6	0	0	0	112.8	Y171 K233 Y234 A237 S248 A249 D253 N257 F261	Y171-L251 HydrophobicContact CD1-CD1 4.3Å; Y171-L251 HydrophobicContact CD2-CD1 4.48Å; Y171-L251 HydrophobicContact CE1-CD1 3.98Å; Y171-L251 HydrophobicContact CE2-CD1 4.2Å; K233-L251 HydrophobicContact CD-CD2 4.02Å; K233-L251 HydrophobicContact CG-CD2 4.42Å; Y234-L251 HydrophobicContact CD1-CD1 3.46Å; Y234-L251 VanDerWaalsContact CD1-CD1 3.46Å; Y234-L251 HydrophobicContact CD1-CD2 4.42Å; Y234-L251 HydrophobicContact CE1-CD1 3.71Å; Y234-L251 HydrophobicContact CE1-CD2 3.85Å; Y234-L251 HydrophobicContact CE1-CG 4.49Å; Y234-L251 HydrophobicContact CG-CD1 4.3Å; A237-L251 HydrophobicContact CB-CD1 3.61Å; S248-L251 PolarHBondContact O-N 2.94Å; A249-L251 VanDerWaalsContact C-N 3.26Å; A249-L251 PolarHBondContact O-N 3.44Å; L251-D253 VanDerWaalsContact C-N 3.35Å; L251-N257 VanDerWaalsContact O-CB 3.32Å; L251-N257 WeakPolarHBondContact O-CB 3.46Å; L251-N257 PolarHBondContact O-ND2 3.23Å; L251-F261 HydrophobicContact CB-CE2 4.14Å; L251-F261 HydrophobicContact CB-CZ 4.25Å
252	A	81.5	Confident	80.9	Confident	23 Å²	23	44.2 Å²	44.2	19%	0.19	28%	0.275	C	S	.	.			trans	-103.8	44.6	175.3	0	0	0	0	0	110.3	S248 A249 W258 F261	S248-A252 PolarHBondContact O-N 3.38Å; S248-A252 VanDerWaalsContact O-N 3.17Å; A249-A252 PolarHBondContact O-N 3.09Å; A252-W258 HydrophobicContact CB-CB 4.36Å; A252-F261 HydrophobicContact CB-CD2 4.1Å; A252-F261 HydrophobicContact CB-CE2 4.49Å
253	D	80.8	Confident	81	Confident	124 Å²	124	44.2 Å²	44.2	66%	0.663	27%	0.274	S	S	*	.			trans	-84.7	-21.8	-175.9	58.1	-19.8	0	0	0	113.5	L251 N257	L251-D253 VanDerWaalsContact C-N 3.35Å; D253-N257 PolarHBondContact OD1-ND2 2.87Å
254	T	88.3	Confident	81.3	Confident	58 Å²	58	43.9 Å²	43.9	36%	0.356	27%	0.272	S	S	.	.	S	Bend	trans	-108	156.5	172.8	60	0	0	0	0	111.1	E256 N257 W258	T254-E256 VanDerWaalsContact C-N 3.31Å; T254-E256 PolarHBondContact O-N 2.95Å; T254-N257 PolarHBondContact O-N 2.94Å; T254-N257 VanDerWaalsContact OG1-CB 3.28Å; T254-N257 WeakPolarHBondContact OG1-CB 3.29Å; T254-N257 PolarHBondContact OG1-N 3.48Å; T254-N257 PolarHBondContact OG1-ND2 3.16Å; T254-N257 VanDerWaalsContact OG1-ND2 3.14Å; T254-W258 WeakPolarHBondContact O-CB 3.47Å; T254-W258 PolarHBondContact O-N 3.44Å
255	L	89.8	Confident	81.9	Confident	28 Å²	28	43.2 Å²	43.2	15%	0.147	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-44.7	177.5	178	60.1	0	0	0	111.2	N257 W258 I259 F293 Y303 T306 A307	L255-N257 PolarHBondContact O-N 3.09Å; L255-W258 HydrophobicContact CD1-CE3 4.22Å; L255-W258 PolarHBondContact O-N 2.96Å; L255-I259 HydrophobicContact CD1-CD1 3.82Å; L255-I259 HydrophobicContact CD1-CG1 4.05Å; L255-I259 HydrophobicContact CG-CD1 3.9Å; L255-I259 HydrophobicContact CG-CG1 4.45Å; L255-I259 WeakPolarHBondContact O-CG1 3.44Å; L255-I259 PolarHBondContact O-N 3.23Å; L255-F293 HydrophobicContact CD1-CD1 4.39Å; L255-F293 HydrophobicContact CD1-CE1 3.69Å; L255-Y303 HydrophobicContact CD2-CD1 4.16Å; L255-Y303 WeakPolarHBondContact CD2-O 3.46Å; L255-T306 HydrophobicContact CD2-CG2 4.27Å; L255-A307 HydrophobicContact CD1-CB 4.33Å
256	E	91.2	Very high	83.1	Confident	63 Å²	63	40 Å²	40	29%	0.294	23%	0.231	S	C	.	.	H	α-helix	trans	-63.2	-42.6	-177.9	-61.7	73.5	-161.7	0	0	110.9	L111 V114 T254 W260	L111-E256 HydrophobicContact CD2-CB 3.87Å; L111-E256 HydrophobicContact CD2-CG 4.24Å; V114-E256 HydrophobicContact CG1-CG 4.38Å; T254-E256 VanDerWaalsContact C-N 3.31Å; T254-E256 PolarHBondContact O-N 2.95Å; E256-W260 VanDerWaalsContact O-CB 3.22Å; E256-W260 WeakPolarHBondContact O-CB 3.48Å; E256-W260 PolarHBondContact O-N 3.34Å
257	N	90.4	Very high	84.2	Confident	18 Å²	18	40.1 Å²	40.1	10%	0.096	23%	0.23	C	C	.	.	H	α-helix	trans	-67.6	-44	175.4	-74.2	-18	0	0	0	111.4	R175 L251 D253 T254 L255 I259 W260 F261	R175-N257 PolarHBondContact NE-OD1 3.17Å; R175-N257 PolarHBondContact NH2-OD1 3.48Å; L251-N257 VanDerWaalsContact O-CB 3.32Å; L251-N257 WeakPolarHBondContact O-CB 3.46Å; L251-N257 PolarHBondContact O-ND2 3.23Å; D253-N257 PolarHBondContact OD1-ND2 2.87Å; T254-N257 PolarHBondContact O-N 2.94Å; T254-N257 VanDerWaalsContact OG1-CB 3.28Å; T254-N257 WeakPolarHBondContact OG1-CB 3.29Å; T254-N257 PolarHBondContact OG1-N 3.48Å; T254-N257 PolarHBondContact OG1-ND2 3.16Å; T254-N257 VanDerWaalsContact OG1-ND2 3.14Å; L255-N257 PolarHBondContact O-N 3.09Å; N257-I259 PolarHBondContact O-N 3.5Å; N257-W260 PolarHBondContact O-N 2.72Å; N257-F261 WeakPolarHBondContact O-CD2 3.17Å; N257-F261 PolarHBondContact O-N 3.39Å
258	W	91.1	Very high	85.6	Confident	43 Å²	43	33.2 Å²	33.2	16%	0.163	19%	0.193	C	C	.	.	H	α-helix	trans	-58.1	-48.9	177.9	178.5	87.6	0	0	0	111.5	A252 T254 L255 F261 K262 V284 Y288	A252-W258 HydrophobicContact CB-CB 4.36Å; T254-W258 WeakPolarHBondContact O-CB 3.47Å; T254-W258 PolarHBondContact O-N 3.44Å; L255-W258 HydrophobicContact CD1-CE3 4.22Å; L255-W258 PolarHBondContact O-N 2.96Å; W258-F261 PolarHBondContact O-N 3.05Å; W258-K262 HydrophobicContact CZ2-CG 4.32Å; W258-K262 WeakPolarHBondContact O-CG 3.5Å; W258-K262 PolarHBondContact O-N 3.11Å; W258-V284 HydrophobicContact CH2-CG2 3.74Å; W258-V284 HydrophobicContact CZ3-CG2 3.86Å; W258-Y288 HydrophobicContact CH2-CD2 4.36Å; W258-Y288 HydrophobicContact CH2-CE2 4.21Å; W258-Y288 HydrophobicContact CZ2-CD2 4.21Å; W258-Y288 AromaticContact CZ2-CE2 3.62Å; W258-Y288 HydrophobicContact CZ2-CE2 3.62Å
259	I	92.1	Very high	86.6	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-43.1	176.8	-62.9	174.2	0	0	0	110.7	L111 L255 N257 F261 K262 L263 T306 A307 L310	L111-I259 HydrophobicContact CD1-CB 4.31Å; L111-I259 HydrophobicContact CD1-CG2 3.87Å; L255-I259 HydrophobicContact CD1-CD1 3.82Å; L255-I259 HydrophobicContact CD1-CG1 4.05Å; L255-I259 HydrophobicContact CG-CD1 3.9Å; L255-I259 HydrophobicContact CG-CG1 4.45Å; L255-I259 WeakPolarHBondContact O-CG1 3.44Å; L255-I259 PolarHBondContact O-N 3.23Å; N257-I259 PolarHBondContact O-N 3.5Å; I259-F261 VanDerWaalsContact C-N 3.34Å; I259-F261 PolarHBondContact O-N 2.79Å; I259-K262 WeakPolarHBondContact O-CA 3.37Å; I259-K262 WeakPolarHBondContact O-CB 3.32Å; I259-K262 PolarHBondContact O-N 3.5Å; I259-L263 HydrophobicContact CG2-CD1 3.52Å; I259-L263 HydrophobicContact CG2-CG 3.91Å; I259-L263 WeakPolarHBondContact O-CG 3.19Å; I259-L263 PolarHBondContact O-N 3.42Å; I259-T306 HydrophobicContact CD1-CG2 4.33Å; I259-A307 HydrophobicContact CD1-CB 4.26Å; I259-L310 HydrophobicContact CD1-CB 4.47Å; I259-L310 HydrophobicContact CD1-CD1 4.06Å; I259-L310 HydrophobicContact CG2-CB 3.98Å; I259-L310 HydrophobicContact CG2-CD1 4.2Å
260	W	93.9	Very high	87	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-44	179.6	-177.7	83.9	0	0	0	112	L111 Y171 V174 A241 E256 N257 K262 L263 Y264	L111-W260 HydrophobicContact CB-CB 4.47Å; L111-W260 HydrophobicContact CD1-CB 4Å; Y171-W260 HydrophobicContact CE2-CZ3 4.24Å; V174-W260 HydrophobicContact CG1-CH2 3.99Å; V174-W260 HydrophobicContact CG1-CZ2 4.08Å; A241-W260 HydrophobicContact CB-CH2 3.75Å; A241-W260 HydrophobicContact CB-CZ3 3.9Å; E256-W260 VanDerWaalsContact O-CB 3.22Å; E256-W260 WeakPolarHBondContact O-CB 3.48Å; E256-W260 PolarHBondContact O-N 3.34Å; N257-W260 PolarHBondContact O-N 2.72Å; W260-K262 PolarHBondContact O-N 2.93Å; W260-L263 PolarHBondContact O-N 3.09Å; W260-Y264 AromaticContact CE2-CD2 3.84Å; W260-Y264 AromaticContact CE2-CG 3.74Å; W260-Y264 HydrophobicContact CH2-CD1 4.05Å; W260-Y264 HydrophobicContact CH2-CE1 4.45Å; W260-Y264 HydrophobicContact CH2-CG 4.2Å; W260-Y264 AromaticContact CZ2-CD1 3.77Å; W260-Y264 HydrophobicContact CZ2-CD1 3.77Å; W260-Y264 AromaticContact CZ2-CD2 3.74Å; W260-Y264 HydrophobicContact CZ2-CD2 3.74Å; W260-Y264 HydrophobicContact CZ2-CE1 4.14Å; W260-Y264 HydrophobicContact CZ2-CE2 4.11Å; W260-Y264 AromaticContact CZ2-CG 3.55Å; W260-Y264 HydrophobicContact CZ2-CG 3.55Å; W260-Y264 AromaticContact NE1-CD2 3.69Å; W260-Y264 AromaticContact NE1-CG 3.99Å; W260-Y264 WeakPolarHBondContact O-CB 3.48Å; W260-Y264 PolarHBondContact O-N 3.22Å
261	F	91.6	Very high	87	Confident	13 Å²	13	35.8 Å²	35.8	6%	0.057	18%	0.183	C	C	.	.	H	α-helix	trans	-65.1	-23.7	176	-79.4	-64.8	0	0	0	113.7	Y171 A237 A240 A241 L251 A252 N257 W258 I259 P265	Y171-F261 HydrophobicContact CE2-CE1 4.09Å; Y171-F261 AromaticContact CE2-CZ 3.58Å; Y171-F261 HydrophobicContact CE2-CZ 3.58Å; Y171-F261 AromaticContact CZ-CZ 3.93Å; Y171-F261 WeakPolarHBondContact OH-CZ 3.47Å; A237-F261 HydrophobicContact CB-CE1 3.94Å; A237-F261 HydrophobicContact CB-CZ 3.81Å; A240-F261 HydrophobicContact CB-CD1 4.41Å; A241-F261 HydrophobicContact CB-CD1 4.41Å; A241-F261 HydrophobicContact CB-CE1 4.35Å; L251-F261 HydrophobicContact CB-CE2 4.14Å; L251-F261 HydrophobicContact CB-CZ 4.25Å; A252-F261 HydrophobicContact CB-CD2 4.1Å; A252-F261 HydrophobicContact CB-CE2 4.49Å; N257-F261 WeakPolarHBondContact O-CD2 3.17Å; N257-F261 PolarHBondContact O-N 3.39Å; W258-F261 PolarHBondContact O-N 3.05Å; I259-F261 VanDerWaalsContact C-N 3.34Å; I259-F261 PolarHBondContact O-N 2.79Å; F261-P265 VanDerWaalsContact O-CD 3.23Å; F261-P265 WeakPolarHBondContact O-CD 3.46Å; F261-P265 VanDerWaalsContact O-CG 3.32Å; F261-P265 WeakPolarHBondContact O-CG 3.44Å
262	K	90.5	Very high	86.3	Confident	76 Å²	76	36.6 Å²	36.6	33%	0.33	19%	0.187	S	C	.	.	H	α-helix	trans	-81.8	-36.6	174.8	-66.7	-61.8	-177	180	0	112.4	W258 I259 W260 V280	W258-K262 HydrophobicContact CZ2-CG 4.32Å; W258-K262 WeakPolarHBondContact O-CG 3.5Å; W258-K262 PolarHBondContact O-N 3.11Å; I259-K262 WeakPolarHBondContact O-CA 3.37Å; I259-K262 WeakPolarHBondContact O-CB 3.32Å; I259-K262 PolarHBondContact O-N 3.5Å; W260-K262 PolarHBondContact O-N 2.93Å; K262-V280 HydrophobicContact CB-CG1 3.98Å; K262-V280 HydrophobicContact CB-CG2 3.72Å; K262-V280 HydrophobicContact CD-CG2 4.33Å; K262-V280 HydrophobicContact CG-CG2 4.37Å
263	L	92.1	Very high	85.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-92.3	-37.1	-174.7	-62.8	-175.9	0	0	0	114.2	V104 A107 L111 I259 W260 P265 L266 H267 F277 V280 L310	V104-L263 WeakPolarHBondContact CG1-O 3.49Å; A107-L263 HydrophobicContact CB-CD1 3.78Å; L111-L263 HydrophobicContact CD1-CD1 4.45Å; I259-L263 HydrophobicContact CG2-CD1 3.52Å; I259-L263 HydrophobicContact CG2-CG 3.91Å; I259-L263 WeakPolarHBondContact O-CG 3.19Å; I259-L263 PolarHBondContact O-N 3.42Å; W260-L263 PolarHBondContact O-N 3.09Å; L263-P265 VanDerWaalsContact C-CD 3.5Å; L263-L266 HydrophobicContact CD2-CD1 4.24Å; L263-L266 WeakPolarHBondContact O-CA 3.49Å; L263-L266 VanDerWaalsContact O-CB 3.25Å; L263-L266 WeakPolarHBondContact O-CB 3.35Å; L263-L266 PolarHBondContact O-N 2.64Å; L263-H267 PolarHBondContact O-N 2.69Å; L263-H267 VanDerWaalsContact O-N 3.1Å; L263-F277 HydrophobicContact CD2-CD2 4.2Å; L263-F277 HydrophobicContact CD2-CE2 4.02Å; L263-V280 HydrophobicContact CD2-CG1 4.32Å; L263-L310 HydrophobicContact CD1-CB 4.33Å; L263-L310 WeakPolarHBondContact CD1-O 3.47Å
264	Y	92.6	Very high	85.1	Confident	5 Å²	5	34.2 Å²	34.2	2%	0.02	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-39.1	-176	-169.9	-102.3	0	0	0	114.2	V174 M179 A241 W260 L266 H267 V268	V174-Y264 HydrophobicContact CG1-CE1 4.08Å; M179-Y264 PolarHBondContact SD-OH 3.02Å; A241-Y264 HydrophobicContact CB-CD1 3.94Å; A241-Y264 HydrophobicContact CB-CE1 4.37Å; A241-Y264 WeakPolarHBondContact O-CD1 3.36Å; W260-Y264 AromaticContact CE2-CD2 3.84Å; W260-Y264 AromaticContact CE2-CG 3.74Å; W260-Y264 HydrophobicContact CH2-CD1 4.05Å; W260-Y264 HydrophobicContact CH2-CE1 4.45Å; W260-Y264 HydrophobicContact CH2-CG 4.2Å; W260-Y264 AromaticContact CZ2-CD1 3.77Å; W260-Y264 HydrophobicContact CZ2-CD1 3.77Å; W260-Y264 AromaticContact CZ2-CD2 3.74Å; W260-Y264 HydrophobicContact CZ2-CD2 3.74Å; W260-Y264 HydrophobicContact CZ2-CE1 4.14Å; W260-Y264 HydrophobicContact CZ2-CE2 4.11Å; W260-Y264 AromaticContact CZ2-CG 3.55Å; W260-Y264 HydrophobicContact CZ2-CG 3.55Å; W260-Y264 AromaticContact NE1-CD2 3.69Å; W260-Y264 AromaticContact NE1-CG 3.99Å; W260-Y264 WeakPolarHBondContact O-CB 3.48Å; W260-Y264 PolarHBondContact O-N 3.22Å; Y264-L266 PolarHBondContact O-N 3.3Å; Y264-H267 WeakPolarHBondContact O-CB 3.32Å; Y264-H267 PolarHBondContact O-N 3.41Å; Y264-H267 VanDerWaalsContact O-N 3.08Å; Y264-V268 HydrophobicContact CD1-CG1 4.25Å; Y264-V268 HydrophobicContact CE1-CG1 3.71Å; Y264-V268 HydrophobicContact CE2-CG1 4.18Å; Y264-V268 PolarHBondContact O-N 3.2Å; Y264-V268 VanDerWaalsContact O-N 3.1Å
265	P	90.1	Very high	84.6	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-34.7	172.5	-22.8	31.5	0	0	0	113.3	A241 F261 L263 V268 D269 L272	A241-P265 WeakPolarHBondContact O-CA 3.32Å; A241-P265 WeakPolarHBondContact O-CG 3.47Å; F261-P265 VanDerWaalsContact O-CD 3.23Å; F261-P265 WeakPolarHBondContact O-CD 3.46Å; F261-P265 VanDerWaalsContact O-CG 3.32Å; F261-P265 WeakPolarHBondContact O-CG 3.44Å; L263-P265 VanDerWaalsContact C-CD 3.5Å; P265-V268 WeakPolarHBondContact O-CG2 3.5Å; P265-D269 PolarHBondContact O-N 3.22Å; P265-L272 HydrophobicContact CB-CD1 4.43Å
266	L	89.4	Confident	84.2	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-72.8	-32	177.7	-54.1	174.7	0	0	0	111.9	V104 L263 Y264 D269 L272 L276 F277	V104-L266 HydrophobicContact CG1-CB 3.89Å; V104-L266 HydrophobicContact CG2-CB 4.49Å; V104-L266 HydrophobicContact CG2-CD1 4.49Å; L263-L266 HydrophobicContact CD2-CD1 4.24Å; L263-L266 WeakPolarHBondContact O-CA 3.49Å; L263-L266 VanDerWaalsContact O-CB 3.25Å; L263-L266 WeakPolarHBondContact O-CB 3.35Å; L263-L266 PolarHBondContact O-N 2.64Å; Y264-L266 PolarHBondContact O-N 3.3Å; L266-D269 CarbonylContact O-C 3.48Å; L266-L272 HydrophobicContact CD2-CB 3.86Å; L266-L276 HydrophobicContact CD2-CB 3.71Å; L266-L276 HydrophobicContact CD2-CD2 3.65Å; L266-L276 HydrophobicContact CD2-CG 3.75Å; L266-L276 HydrophobicContact CG-CD2 4.5Å; L266-F277 HydrophobicContact CD1-CB 3.86Å; L266-F277 HydrophobicContact CD1-CD2 3.69Å; L266-F277 HydrophobicContact CD1-CG 4.27Å
267	H	89.5	Confident	84	Confident	52 Å²	52	34.1 Å²	34.1	24%	0.241	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-46.1	175.5	177	62.8	0	0	0	111.5	V104 L263 Y264	V104-H267 HydrophobicContact CG1-CB 3.9Å; L263-H267 PolarHBondContact O-N 2.69Å; L263-H267 VanDerWaalsContact O-N 3.1Å; Y264-H267 WeakPolarHBondContact O-CB 3.32Å; Y264-H267 PolarHBondContact O-N 3.41Å; Y264-H267 VanDerWaalsContact O-N 3.08Å
268	V	88.8	Confident	84	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-80.8	-22.7	-176.8	-59	0	0	0	0	113.3	V205 K210 L211 L242 Y264 P265	V205-V268 HydrophobicContact CG1-CG1 3.94Å; K210-V268 CarbonylContact C-O 3.49Å; K210-V268 VanDerWaalsContact CA-O 3.27Å; K210-V268 WeakPolarHBondContact CA-O 3.44Å; L211-V268 PolarHBondContact N-O 2.94Å; L242-V268 HydrophobicContact CD2-CG2 4.37Å; Y264-V268 HydrophobicContact CD1-CG1 4.25Å; Y264-V268 HydrophobicContact CE1-CG1 3.71Å; Y264-V268 HydrophobicContact CE2-CG1 4.18Å; Y264-V268 PolarHBondContact O-N 3.2Å; Y264-V268 VanDerWaalsContact O-N 3.1Å; P265-V268 WeakPolarHBondContact O-CG2 3.5Å
269	D	83.8	Confident	83.9	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.032	20%	0.204	C	C	.	.			trans	-128.5	97.1	176.7	-175	-2.3	0	0	0	112.3	K216 P265 L266 Q271 L272	K216-D269 WeakPolarHBondContact CD-OD2 3.42Å; K216-D269 WeakPolarHBondContact CE-OD2 3.2Å; K216-D269 IonicContact NZ-OD2 2.75Å; K216-D269 PolarHBondContact NZ-OD2 3.18Å; P265-D269 PolarHBondContact O-N 3.22Å; L266-D269 CarbonylContact O-C 3.48Å; D269-Q271 PolarHBondContact O-N 3.39Å; D269-Q271 VanDerWaalsContact O-N 3.11Å; D269-Q271 VanDerWaalsContact OD1-CB 3.31Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.45Å; D269-Q271 PolarHBondContact OD1-N 3.27Å; D269-L272 HydrophobicContact CB-CD1 3.93Å; D269-L272 HydrophobicContact CB-CG 4.17Å; D269-L272 WeakPolarHBondContact O-CB 3.43Å; D269-L272 PolarHBondContact O-N 3.28Å; D269-L272 VanDerWaalsContact O-N 3.09Å
270	P	68.8	Low	83.9	Confident	55 Å²	55	40.7 Å²	40.7	36%	0.357	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-63.3	-14.2	177.1	-21.6	32.6	0	0	0	115	K210 L272 T273	K210-P270 HydrophobicContact CD-CG 3.83Å; P270-L272 VanDerWaalsContact C-N 3.29Å; P270-T273 VanDerWaalsContact C-OG1 3.31Å; P270-T273 WeakPolarHBondContact CA-OG1 3.26Å; P270-T273 PolarHBondContact O-OG1 3.17Å
271	Q	69.1	Low	83.9	Confident	160 Å²	160	41.4 Å²	41.4	75%	0.748	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-79.5	-14.4	176.4	-59.4	-172.4	-9.2	0	0	112.3	D269 T273	D269-Q271 PolarHBondContact O-N 3.39Å; D269-Q271 VanDerWaalsContact O-N 3.11Å; D269-Q271 VanDerWaalsContact OD1-CB 3.31Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.45Å; D269-Q271 PolarHBondContact OD1-N 3.27Å; Q271-T273 VanDerWaalsContact C-N 3.31Å
272	L	66.4	Low	84	Confident	35 Å²	35	45.5 Å²	45.5	18%	0.183	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-82.6	-9.8	174.9	-74	174.7	0	0	0	113.1	P265 L266 D269 P270 D274 L276	P265-L272 HydrophobicContact CB-CD1 4.43Å; L266-L272 HydrophobicContact CD2-CB 3.86Å; D269-L272 HydrophobicContact CB-CD1 3.93Å; D269-L272 HydrophobicContact CB-CG 4.17Å; D269-L272 WeakPolarHBondContact O-CB 3.43Å; D269-L272 PolarHBondContact O-N 3.28Å; D269-L272 VanDerWaalsContact O-N 3.09Å; P270-L272 VanDerWaalsContact C-N 3.29Å; L272-D274 PolarHBondContact O-N 2.57Å; L272-L276 HydrophobicContact CB-CD2 4.35Å; L272-L276 HydrophobicContact CD1-CD2 4.23Å; L272-L276 HydrophobicContact CD2-CD2 4.42Å; L272-L276 WeakPolarHBondContact O-CB 3.45Å; L272-L276 PolarHBondContact O-N 2.86Å
273	T	65.9	Low	84.2	Confident	4 Å²	4	42.5 Å²	42.5	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-54.8	-155	-55.3	0	0	0	0	113.7	L97 T100 P270 Q271 F277	L97-T273 HydrophobicContact CD2-CG2 4.21Å; T100-T273 HydrophobicContact CG2-CG2 3.65Å; P270-T273 VanDerWaalsContact C-OG1 3.31Å; P270-T273 WeakPolarHBondContact CA-OG1 3.26Å; P270-T273 PolarHBondContact O-OG1 3.17Å; Q271-T273 VanDerWaalsContact C-N 3.31Å; T273-F277 WeakPolarHBondContact O-CB 3.21Å; T273-F277 PolarHBondContact O-N 3.24Å
274	D	71.9	Confident	84.3	Confident	92 Å²	92	42.6 Å²	42.6	49%	0.492	22%	0.215	S	C	.	.	H	α-helix	trans	-72	-50.3	-167	-71.6	-23	0	0	0	114.8	L97 L272 K278	L97-D274 VanDerWaalsContact CD2-CG 3.41Å; L97-D274 WeakPolarHBondContact CD2-OD1 3.46Å; L97-D274 WeakPolarHBondContact CD2-OD2 3.29Å; L272-D274 PolarHBondContact O-N 2.57Å; D274-K278 WeakPolarHBondContact O-CB 3.31Å; D274-K278 PolarHBondContact O-N 3.25Å
275	V	78.4	Confident	84.4	Confident	107 Å²	107	42.7 Å²	42.7	65%	0.648	22%	0.217	S	C	*	.	H	α-helix	trans	-70.2	-48.4	-174.5	179.1	0	0	0	0	110.6	K278 E279	V275-K278 PolarHBondContact O-N 3.3Å; V275-E279 WeakPolarHBondContact O-CG 3.45Å; V275-E279 PolarHBondContact O-N 3Å
276	L	80.7	Confident	84.5	Confident	30 Å²	30	46 Å²	46	16%	0.157	24%	0.237	C	C	.	.	H	α-helix	trans	-74.1	-34.3	-175.4	-177.3	64.7	0	0	0	111.3	L266 L272 K278 E279 V280	L266-L276 HydrophobicContact CD2-CB 3.71Å; L266-L276 HydrophobicContact CD2-CD2 3.65Å; L266-L276 HydrophobicContact CD2-CG 3.75Å; L266-L276 HydrophobicContact CG-CD2 4.5Å; L272-L276 HydrophobicContact CB-CD2 4.35Å; L272-L276 HydrophobicContact CD1-CD2 4.23Å; L272-L276 HydrophobicContact CD2-CD2 4.42Å; L272-L276 WeakPolarHBondContact O-CB 3.45Å; L272-L276 PolarHBondContact O-N 2.86Å; L276-K278 VanDerWaalsContact C-N 3.31Å; L276-K278 PolarHBondContact O-N 3.32Å; L276-E279 HydrophobicContact CD1-CB 4.41Å; L276-E279 WeakPolarHBondContact CD1-OE2 3.37Å; L276-E279 WeakPolarHBondContact O-CB 3.37Å; L276-E279 PolarHBondContact O-N 2.91Å; L276-V280 WeakPolarHBondContact O-CG2 3.39Å; L276-V280 PolarHBondContact O-N 3.35Å
277	F	87.8	Confident	84.6	Confident	10 Å²	10	50.5 Å²	50.5	4%	0.044	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-40.8	172.2	-171.8	-117.4	0	0	0	111.5	T100 L103 V104 L263 L266 T273 E279 V280 Q281 S311	T100-F277 HydrophobicContact CG2-CD1 3.52Å; T100-F277 HydrophobicContact CG2-CD2 4.47Å; T100-F277 HydrophobicContact CG2-CE1 3.64Å; T100-F277 HydrophobicContact CG2-CG 3.96Å; T100-F277 HydrophobicContact CG2-CZ 4.19Å; L103-F277 HydrophobicContact CD2-CE2 4.15Å; L103-F277 HydrophobicContact CD2-CZ 3.81Å; V104-F277 HydrophobicContact CG2-CD2 3.96Å; V104-F277 HydrophobicContact CG2-CE2 3.81Å; L263-F277 HydrophobicContact CD2-CD2 4.2Å; L263-F277 HydrophobicContact CD2-CE2 4.02Å; L266-F277 HydrophobicContact CD1-CB 3.86Å; L266-F277 HydrophobicContact CD1-CD2 3.69Å; L266-F277 HydrophobicContact CD1-CG 4.27Å; T273-F277 WeakPolarHBondContact O-CB 3.21Å; T273-F277 PolarHBondContact O-N 3.24Å; F277-E279 VanDerWaalsContact C-N 3.33Å; F277-E279 PolarHBondContact O-N 3.16Å; F277-V280 WeakPolarHBondContact O-CB 3.46Å; F277-V280 PolarHBondContact O-N 3.14Å; F277-V280 VanDerWaalsContact O-N 3.16Å; F277-Q281 HydrophobicContact CE1-CG 4.41Å; F277-Q281 WeakPolarHBondContact O-CG 3.41Å; F277-Q281 PolarHBondContact O-N 2.9Å; F277-S311 WeakPolarHBondContact CZ-O 3.32Å
278	K	89.2	Confident	84.8	Confident	89 Å²	89	52.6 Å²	52.6	39%	0.387	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-36.8	173.7	-176.7	170.5	174.1	168.4	0	112.6	D274 V275 L276 V280 Q281 K282 D360 T362	D274-K278 WeakPolarHBondContact O-CB 3.31Å; D274-K278 PolarHBondContact O-N 3.25Å; V275-K278 PolarHBondContact O-N 3.3Å; L276-K278 VanDerWaalsContact C-N 3.31Å; L276-K278 PolarHBondContact O-N 3.32Å; K278-V280 VanDerWaalsContact C-N 3.34Å; K278-Q281 PolarHBondContact O-N 3Å; K278-K282 WeakPolarHBondContact O-CB 3.38Å; K278-K282 PolarHBondContact O-N 3.09Å; K278-D360 WeakPolarHBondContact CE-OD1 3.23Å; K278-D360 VanDerWaalsContact CE-OD2 3.29Å; K278-D360 WeakPolarHBondContact CE-OD2 3.3Å; K278-D360 IonicContact NZ-OD1 3.69Å; K278-D360 PolarHBondContact NZ-OD1 3.31Å; K278-D360 VanDerWaalsContact NZ-OD1 3.15Å; K278-D360 IonicContact NZ-OD2 3.15Å; K278-D360 PolarHBondContact NZ-OD2 3.09Å; K278-T362 HydrophobicContact CG-CG2 4.4Å
279	E	89.9	Confident	84.9	Confident	110 Å²	110	53 Å²	53	51%	0.514	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-39.6	172.2	-72.3	175.8	178.6	0	0	112	V275 L276 F277 K282 A283	V275-E279 WeakPolarHBondContact O-CG 3.45Å; V275-E279 PolarHBondContact O-N 3Å; L276-E279 HydrophobicContact CD1-CB 4.41Å; L276-E279 WeakPolarHBondContact CD1-OE2 3.37Å; L276-E279 WeakPolarHBondContact O-CB 3.37Å; L276-E279 PolarHBondContact O-N 2.91Å; F277-E279 VanDerWaalsContact C-N 3.33Å; F277-E279 PolarHBondContact O-N 3.16Å; E279-K282 PolarHBondContact O-N 3.23Å; E279-A283 WeakPolarHBondContact O-CB 3.42Å; E279-A283 PolarHBondContact O-N 3.33Å
280	V	91.3	Very high	85.3	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.024	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-45.2	173.4	178.1	0	0	0	0	110.8	K262 L263 L276 F277 K278 K282 A283 V284	K262-V280 HydrophobicContact CB-CG1 3.98Å; K262-V280 HydrophobicContact CB-CG2 3.72Å; K262-V280 HydrophobicContact CD-CG2 4.33Å; K262-V280 HydrophobicContact CG-CG2 4.37Å; L263-V280 HydrophobicContact CD2-CG1 4.32Å; L276-V280 WeakPolarHBondContact O-CG2 3.39Å; L276-V280 PolarHBondContact O-N 3.35Å; F277-V280 WeakPolarHBondContact O-CB 3.46Å; F277-V280 PolarHBondContact O-N 3.14Å; F277-V280 VanDerWaalsContact O-N 3.16Å; K278-V280 VanDerWaalsContact C-N 3.34Å; V280-K282 PolarHBondContact O-N 2.86Å; V280-A283 PolarHBondContact O-N 3.46Å; V280-V284 WeakPolarHBondContact O-CG2 3.22Å; V280-V284 PolarHBondContact O-N 3.25Å
281	Q	94.3	Very high	86.3	Confident	15 Å²	15	64 Å²	64	7%	0.07	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-47.1	177.4	-69.8	177.9	-34.2	0	0	111.3	F277 K278 A283 V284 S285 S311 Q313 T362	F277-Q281 HydrophobicContact CE1-CG 4.41Å; F277-Q281 WeakPolarHBondContact O-CG 3.41Å; F277-Q281 PolarHBondContact O-N 2.9Å; K278-Q281 PolarHBondContact O-N 3Å; Q281-A283 PolarHBondContact O-N 3.47Å; Q281-V284 PolarHBondContact O-N 3.24Å; Q281-S285 WeakPolarHBondContact O-CB 3.24Å; Q281-S285 PolarHBondContact O-N 3.12Å; Q281-S285 PolarHBondContact O-OG 3.21Å; Q281-S311 WeakPolarHBondContact CG-O 3.23Å; Q281-S311 PolarHBondContact NE2-O 3.01Å; Q281-Q313 HydrophobicContact CB-CG 4.15Å; Q281-Q313 HydrophobicContact CG-CG 3.86Å; Q281-Q313 PolarHBondContact O-NE2 2.72Å; Q281-Q313 PolarHBondContact O-OE1 2.93Å; Q281-T362 HydrophobicContact CB-CG2 4.14Å
282	K	94.5	Very high	87.4	Confident	99 Å²	99	63 Å²	63	43%	0.43	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-43.9	175.9	-174.6	-172.4	169.4	-168.4	0	111.9	K278 E279 V280 V284 S285 V286 D287 T362	K278-K282 WeakPolarHBondContact O-CB 3.38Å; K278-K282 PolarHBondContact O-N 3.09Å; E279-K282 PolarHBondContact O-N 3.23Å; V280-K282 PolarHBondContact O-N 2.86Å; K282-V284 PolarHBondContact O-N 3.03Å; K282-S285 PolarHBondContact O-N 3.15Å; K282-V286 HydrophobicContact CG-CB 3.94Å; K282-V286 HydrophobicContact CG-CG2 4.13Å; K282-V286 WeakPolarHBondContact O-CA 3.5Å; K282-V286 WeakPolarHBondContact O-CB 3.37Å; K282-V286 PolarHBondContact O-N 3.27Å; K282-D287 WeakPolarHBondContact CE-OD1 3.29Å; K282-D287 PolarHBondContact O-N 3.38Å; K282-T362 HydrophobicContact CB-CG2 3.82Å
283	A	92.9	Very high	88.6	Confident	13 Å²	13	62 Å²	62	11%	0.107	30%	0.303	C	S	.	.	I	π-helix	trans	-57.7	-52.9	178.6	0	0	0	0	0	110.8	E279 V280 Q281 S285 D287 Y288	E279-A283 WeakPolarHBondContact O-CB 3.42Å; E279-A283 PolarHBondContact O-N 3.33Å; V280-A283 PolarHBondContact O-N 3.46Å; Q281-A283 PolarHBondContact O-N 3.47Å; A283-S285 VanDerWaalsContact C-N 3.27Å; A283-S285 PolarHBondContact O-N 3.41Å; A283-D287 WeakPolarHBondContact CA-OD2 3.47Å; A283-D287 PolarHBondContact O-N 3.13Å; A283-Y288 HydrophobicContact CB-CE2 4.39Å; A283-Y288 WeakPolarHBondContact O-CD2 3.37Å; A283-Y288 PolarHBondContact O-N 2.95Å
284	V	94.9	Very high	89.9	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.006	31%	0.305	C	S	.	.	I	π-helix	trans	-57.8	-43.7	178	171.6	0	0	0	0	111.1	W258 V280 Q281 K282 G289 F293 F304 A307 L308	W258-V284 HydrophobicContact CH2-CG2 3.74Å; W258-V284 HydrophobicContact CZ3-CG2 3.86Å; V280-V284 WeakPolarHBondContact O-CG2 3.22Å; V280-V284 PolarHBondContact O-N 3.25Å; Q281-V284 PolarHBondContact O-N 3.24Å; K282-V284 PolarHBondContact O-N 3.03Å; V284-G289 WeakPolarHBondContact O-CA 3.33Å; V284-G289 PolarHBondContact O-N 2.77Å; V284-F293 HydrophobicContact CG1-CE2 4.25Å; V284-F304 HydrophobicContact CG1-CE2 4.34Å; V284-A307 HydrophobicContact CG1-CB 3.76Å; V284-A307 HydrophobicContact CG2-CB 4.32Å; V284-L308 HydrophobicContact CG1-CD2 3.78Å; V284-L308 HydrophobicContact CG1-CG 4.14Å
285	S	94.1	Very high	90.8	Very high	7 Å²	7	62 Å²	62	5%	0.049	31%	0.308	C	S	.	.	I	π-helix	trans	-105	-28.3	-155.8	92.2	0	0	0	0	114.1	Q281 K282 A283 Q313 R316	Q281-S285 WeakPolarHBondContact O-CB 3.24Å; Q281-S285 PolarHBondContact O-N 3.12Å; Q281-S285 PolarHBondContact O-OG 3.21Å; K282-S285 PolarHBondContact O-N 3.15Å; A283-S285 VanDerWaalsContact C-N 3.27Å; A283-S285 PolarHBondContact O-N 3.41Å; S285-Q313 PolarHBondContact OG-OE1 3.21Å; S285-R316 VanDerWaalsContact C-NH2 3.29Å; S285-R316 PolarHBondContact O-NH1 3.05Å; S285-R316 PolarHBondContact O-NH2 3.38Å; S285-R316 PolarHBondContact OG-NH1 3.01Å
286	V	92.6	Very high	91.4	Very high	70 Å²	70	62.7 Å²	62.7	42%	0.424	31%	0.309	S	S	.	.	I	π-helix	trans	-111.1	-47.5	-179	-178.7	0	0	0	0	110.4	K282	K282-V286 HydrophobicContact CG-CB 3.94Å; K282-V286 HydrophobicContact CG-CG2 4.13Å; K282-V286 WeakPolarHBondContact O-CA 3.5Å; K282-V286 WeakPolarHBondContact O-CB 3.37Å; K282-V286 PolarHBondContact O-N 3.27Å
287	D	93	Very high	91.8	Very high	101 Å²	101	62.3 Å²	62.3	54%	0.54	31%	0.312	S	S	.	.	I	π-helix	trans	-79	-41.8	-171.2	-54.4	-27.2	0	0	0	111.8	K282 A283	K282-D287 WeakPolarHBondContact CE-OD1 3.29Å; K282-D287 PolarHBondContact O-N 3.38Å; A283-D287 WeakPolarHBondContact CA-OD2 3.47Å; A283-D287 PolarHBondContact O-N 3.13Å
288	Y	91.9	Very high	91.9	Very high	95 Å²	95	66.2 Å²	66.2	37%	0.373	34%	0.339	S	S	.	.	I	π-helix	trans	-94.4	-59.8	174	-65.7	-62.8	0	0	0	112	W258 A283 Y292 F293	W258-Y288 HydrophobicContact CH2-CD2 4.36Å; W258-Y288 HydrophobicContact CH2-CE2 4.21Å; W258-Y288 HydrophobicContact CZ2-CD2 4.21Å; W258-Y288 AromaticContact CZ2-CE2 3.62Å; W258-Y288 HydrophobicContact CZ2-CE2 3.62Å; A283-Y288 HydrophobicContact CB-CE2 4.39Å; A283-Y288 WeakPolarHBondContact O-CD2 3.37Å; A283-Y288 PolarHBondContact O-N 2.95Å; Y288-Y292 AromaticContact CD1-CD1 3.91Å; Y288-Y292 HydrophobicContact CD1-CD1 3.91Å; Y288-Y292 AromaticContact CD1-CD2 3.96Å; Y288-Y292 HydrophobicContact CD1-CD2 3.96Å; Y288-Y292 HydrophobicContact CD1-CE1 4.19Å; Y288-Y292 HydrophobicContact CD1-CE2 4.24Å; Y288-Y292 AromaticContact CD1-CG 3.79Å; Y288-Y292 HydrophobicContact CD1-CG 3.79Å; Y288-Y292 HydrophobicContact CE1-CE2 4.46Å; Y288-Y292 HydrophobicContact CG-CD1 4.06Å; Y288-Y292 HydrophobicContact CG-CE1 4.49Å; Y288-Y292 HydrophobicContact CG-CG 4.23Å; Y288-Y292 WeakPolarHBondContact O-CB 3.26Å; Y288-F293 HydrophobicContact CG-CE2 4.44Å
289	G	91.9	Very high	91.8	Very high	9 Å²	9	66.2 Å²	66.2	9%	0.093	35%	0.35	C	S	.	.	H	α-helix	trans	60.2	-165.9	177.7	0	0	0	0	0	114.5	V284 Q291 Y292 F293	V284-G289 WeakPolarHBondContact O-CA 3.33Å; V284-G289 PolarHBondContact O-N 2.77Å; G289-Q291 VanDerWaalsContact C-N 3.34Å; G289-Q291 PolarHBondContact O-N 3.31Å; G289-Y292 PolarHBondContact O-N 3.36Å; G289-F293 VanDerWaalsContact O-CD2 3.27Å; G289-F293 WeakPolarHBondContact O-CD2 3.24Å; G289-F293 PolarHBondContact O-N 3.41Å
290	E	92	Very high	91.9	Very high	114 Å²	114	62.7 Å²	62.7	53%	0.533	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-40	-173.4	-168.1	178.9	153.9	0	0	112.9	Y292 F293 M294 F304	E290-Y292 PolarHBondContact O-N 2.92Å; E290-F293 PolarHBondContact O-N 3.11Å; E290-M294 HydrophobicContact CG-CB 4.36Å; E290-M294 HydrophobicContact CG-CE 4.46Å; E290-M294 HydrophobicContact CG-SD 3.73Å; E290-M294 WeakPolarHBondContact O-CA 3.17Å; E290-M294 WeakPolarHBondContact O-CB 3.36Å; E290-M294 PolarHBondContact O-N 3.09Å; E290-F304 HydrophobicContact CB-CD1 4.27Å; E290-F304 HydrophobicContact CB-CE1 3.66Å; E290-F304 HydrophobicContact CB-CZ 4.23Å; E290-F304 HydrophobicContact CG-CD1 4.29Å; E290-F304 HydrophobicContact CG-CE1 4.07Å
291	Q	90.4	Very high	92.1	Very high	179 Å²	179	63 Å²	63	84%	0.836	34%	0.335	S	S	*	.	H	α-helix	trans	-60.5	-31.1	-176.7	-65.2	-179.5	0.3	0	0	113	G289	G289-Q291 VanDerWaalsContact C-N 3.34Å; G289-Q291 PolarHBondContact O-N 3.31Å
292	Y	92	Very high	92.2	Very high	139 Å²	139	63.4 Å²	63.4	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-81	-52.5	178.2	179.3	-98.2	0	0	0	111.6	Y288 G289 E290 M294	Y288-Y292 AromaticContact CD1-CD1 3.91Å; Y288-Y292 HydrophobicContact CD1-CD1 3.91Å; Y288-Y292 AromaticContact CD1-CD2 3.96Å; Y288-Y292 HydrophobicContact CD1-CD2 3.96Å; Y288-Y292 HydrophobicContact CD1-CE1 4.19Å; Y288-Y292 HydrophobicContact CD1-CE2 4.24Å; Y288-Y292 AromaticContact CD1-CG 3.79Å; Y288-Y292 HydrophobicContact CD1-CG 3.79Å; Y288-Y292 HydrophobicContact CE1-CE2 4.46Å; Y288-Y292 HydrophobicContact CG-CD1 4.06Å; Y288-Y292 HydrophobicContact CG-CE1 4.49Å; Y288-Y292 HydrophobicContact CG-CG 4.23Å; Y288-Y292 WeakPolarHBondContact O-CB 3.26Å; G289-Y292 PolarHBondContact O-N 3.36Å; E290-Y292 PolarHBondContact O-N 2.92Å; Y292-M294 PolarHBondContact O-N 3.34Å
293	F	91.9	Very high	92.2	Very high	15 Å²	15	63.8 Å²	63.8	7%	0.066	34%	0.336	C	S	.	.	H	α-helix	trans	-77.4	-20.5	-172.8	-68.8	-72.1	0	0	0	114	L255 V284 Y288 G289 E290 F304 A307	L255-F293 HydrophobicContact CD1-CD1 4.39Å; L255-F293 HydrophobicContact CD1-CE1 3.69Å; V284-F293 HydrophobicContact CG1-CE2 4.25Å; Y288-F293 HydrophobicContact CG-CE2 4.44Å; G289-F293 VanDerWaalsContact O-CD2 3.27Å; G289-F293 WeakPolarHBondContact O-CD2 3.24Å; G289-F293 PolarHBondContact O-N 3.41Å; E290-F293 PolarHBondContact O-N 3.11Å; F293-F304 HydrophobicContact CB-CB 3.52Å; F293-F304 HydrophobicContact CB-CD2 3.99Å; F293-F304 HydrophobicContact CB-CG 3.93Å; F293-F304 AromaticContact CD2-CD2 3.39Å; F293-F304 HydrophobicContact CD2-CD2 3.39Å; F293-F304 AromaticContact CD2-CE2 3.78Å; F293-F304 HydrophobicContact CD2-CE2 3.78Å; F293-F304 HydrophobicContact CD2-CG 4.21Å; F293-F304 HydrophobicContact CE2-CD2 4.14Å; F293-F304 HydrophobicContact CE2-CE2 4.32Å; F293-F304 HydrophobicContact CG-CB 4.19Å; F293-F304 AromaticContact CG-CD2 3.9Å; F293-F304 HydrophobicContact CG-CD2 3.9Å; F293-F304 HydrophobicContact CG-CG 4.35Å; F293-A307 HydrophobicContact CD1-CB 4.4Å; F293-A307 HydrophobicContact CE1-CB 3.92Å; F293-A307 HydrophobicContact CE2-CB 4.25Å; F293-A307 HydrophobicContact CZ-CB 3.84Å
294	M	93.2	Very high	92.3	Very high	13 Å²	13	63.5 Å²	63.5	6%	0.064	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	39	-179.2	-61.5	168.3	61.8	0	0	110.7	E290 Y292 N296 G297 P298 E300 F301 F304 L320	E290-M294 HydrophobicContact CG-CB 4.36Å; E290-M294 HydrophobicContact CG-CE 4.46Å; E290-M294 HydrophobicContact CG-SD 3.73Å; E290-M294 WeakPolarHBondContact O-CA 3.17Å; E290-M294 WeakPolarHBondContact O-CB 3.36Å; E290-M294 PolarHBondContact O-N 3.09Å; Y292-M294 PolarHBondContact O-N 3.34Å; M294-N296 PolarHBondContact O-N 3.36Å; M294-G297 PolarHBondContact O-N 3.09Å; M294-P298 HydrophobicContact CE-CB 4.4Å; M294-E300 HydrophobicContact CB-CB 4.49Å; M294-E300 HydrophobicContact CG-CB 4.41Å; M294-F301 HydrophobicContact CE-CB 4.07Å; M294-F301 HydrophobicContact SD-CB 4.41Å; M294-F304 HydrophobicContact CG-CB 4.07Å; M294-F304 HydrophobicContact SD-CB 4.02Å; M294-F304 HydrophobicContact SD-CD1 3.78Å; M294-F304 HydrophobicContact SD-CG 4.4Å; M294-L320 HydrophobicContact CE-CD1 4.07Å; M294-L320 HydrophobicContact SD-CD1 3.59Å; M294-L320 VanDerWaalsContact SD-CD1 3.59Å; M294-L320 HydrophobicContact SD-CD2 4.49Å
295	S	91	Very high	92.5	Very high	81 Å²	81	63.4 Å²	63.4	57%	0.566	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.8	-175.9	66.3	0	0	0	0	113.3	E300	S295-E300 PolarHBondContact N-OE2 3.4Å
296	N	89.4	Confident	92.6	Very high	122 Å²	122	63.7 Å²	63.7	65%	0.652	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	9.8	176.3	-53.5	-53.7	0	0	0	113.3	M294 E300	M294-N296 PolarHBondContact O-N 3.36Å; N296-E300 HydrophobicContact CB-CG 4.39Å; N296-E300 WeakPolarHBondContact CB-OE1 3.45Å; N296-E300 WeakPolarHBondContact CB-OE2 3.46Å; N296-E300 PolarHBondContact N-OE2 2.87Å; N296-E300 PolarHBondContact ND2-OE1 3.39Å; N296-E300 PolarHBondContact ND2-OE2 3.19Å
297	G	89.6	Confident	92.8	Very high	23 Å²	23	60.3 Å²	60.3	24%	0.237	31%	0.313	C	S	.	.			trans	108.3	-174.1	171.6	0	0	0	0	0	115.2	M294 S299 E300	M294-G297 PolarHBondContact O-N 3.09Å; G297-S299 PolarHBondContact O-N 3.19Å; G297-E300 PolarHBondContact O-N 3.41Å; G297-E300 VanDerWaalsContact O-N 3.11Å
298	P	89.1	Confident	93	Very high	91 Å²	91	55.5 Å²	55.5	59%	0.591	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-60.7	-18.4	-170.6	-26.8	35.8	0	0	0	116	M294 E300 F301	M294-P298 HydrophobicContact CE-CB 4.4Å; P298-E300 PolarHBondContact O-N 2.97Å; P298-F301 WeakPolarHBondContact O-CB 3.45Å; P298-F301 VanDerWaalsContact O-CD1 3.31Å; P298-F301 WeakPolarHBondContact O-CD1 3.31Å; P298-F301 PolarHBondContact O-N 3.05Å
299	S	88.2	Confident	93.2	Very high	90 Å²	90	51 Å²	51	63%	0.629	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-70.3	-11.1	176.9	53.3	0	0	0	0	114.2	G297 Q302	G297-S299 PolarHBondContact O-N 3.19Å; S299-Q302 PolarHBondContact O-OE1 2.86Å
300	E	92.3	Very high	93.4	Very high	36 Å²	36	50.6 Å²	50.6	17%	0.168	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-96.8	13	177.3	-71.9	-171	153.1	0	0	113.2	M294 S295 N296 G297 P298 Q302 Y303	M294-E300 HydrophobicContact CB-CB 4.49Å; M294-E300 HydrophobicContact CG-CB 4.41Å; S295-E300 PolarHBondContact N-OE2 3.4Å; N296-E300 HydrophobicContact CB-CG 4.39Å; N296-E300 WeakPolarHBondContact CB-OE1 3.45Å; N296-E300 WeakPolarHBondContact CB-OE2 3.46Å; N296-E300 PolarHBondContact N-OE2 2.87Å; N296-E300 PolarHBondContact ND2-OE1 3.39Å; N296-E300 PolarHBondContact ND2-OE2 3.19Å; G297-E300 PolarHBondContact O-N 3.41Å; G297-E300 VanDerWaalsContact O-N 3.11Å; P298-E300 PolarHBondContact O-N 2.97Å; E300-Q302 PolarHBondContact O-N 3.42Å; E300-Y303 HydrophobicContact CB-CD2 3.96Å; E300-Y303 HydrophobicContact CB-CE2 4.34Å; E300-Y303 HydrophobicContact CG-CD2 4.28Å; E300-Y303 HydrophobicContact CG-CE2 4.18Å; E300-Y303 PolarHBondContact O-N 3.26Å; E300-Y303 VanDerWaalsContact O-N 3.11Å
301	F	95.3	Very high	93.5	Very high	11 Å²	11	45.2 Å²	45.2	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-53.1	-29.2	-176.6	71.9	-85.2	0	0	0	113.9	A74 L75 V78 M294 P298 Y303 F304 F305 L321 C324 Q326	A74-F301 HydrophobicContact CB-CE1 4.16Å; A74-F301 HydrophobicContact CB-CZ 4.07Å; L75-F301 HydrophobicContact CD2-CE2 4.15Å; L75-F301 HydrophobicContact CD2-CZ 3.99Å; L75-F301 HydrophobicContact CG-CZ 4.29Å; V78-F301 HydrophobicContact CG2-CD2 4.49Å; V78-F301 HydrophobicContact CG2-CE2 3.94Å; M294-F301 HydrophobicContact CE-CB 4.07Å; M294-F301 HydrophobicContact SD-CB 4.41Å; P298-F301 WeakPolarHBondContact O-CB 3.45Å; P298-F301 VanDerWaalsContact O-CD1 3.31Å; P298-F301 WeakPolarHBondContact O-CD1 3.31Å; P298-F301 PolarHBondContact O-N 3.05Å; F301-Y303 VanDerWaalsContact C-N 3.33Å; F301-Y303 PolarHBondContact O-N 3.49Å; F301-F304 PolarHBondContact O-N 3.26Å; F301-F305 VanDerWaalsContact O-CB 3.29Å; F301-F305 WeakPolarHBondContact O-CB 3.41Å; F301-F305 PolarHBondContact O-N 2.93Å; F301-L321 HydrophobicContact CD2-CD2 3.73Å; F301-L321 HydrophobicContact CE2-CD2 3.69Å; F301-C324 HydrophobicContact CB-CB 4.14Å; F301-C324 VanDerWaalsContact CB-SG 3.59Å; F301-C324 HydrophobicContact CG-CB 4.28Å; F301-Q326 HydrophobicContact CE1-CG 4.47Å; F301-Q326 HydrophobicContact CE2-CG 4.04Å; F301-Q326 HydrophobicContact CZ-CG 3.94Å
302	Q	95.3	Very high	93.7	Very high	23 Å²	23	36.7 Å²	36.7	11%	0.107	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-40	179.5	69.8	-75.7	5.3	0	0	112.4	A74 V78 S299 E300 F304 F305 T306	A74-Q302 HydrophobicContact CB-CB 4Å; A74-Q302 HydrophobicContact CB-CG 3.96Å; V78-Q302 HydrophobicContact CG2-CB 4.3Å; S299-Q302 PolarHBondContact O-OE1 2.86Å; E300-Q302 PolarHBondContact O-N 3.42Å; Q302-F304 PolarHBondContact O-N 2.59Å; Q302-F305 WeakPolarHBondContact O-CB 3.33Å; Q302-F305 PolarHBondContact O-N 2.8Å; Q302-T306 WeakPolarHBondContact O-CB 3.31Å; Q302-T306 PolarHBondContact O-N 2.72Å; Q302-T306 PolarHBondContact O-OG1 2.82Å
303	Y	94.4	Very high	93.9	Very high	107 Å²	107	30.3 Å²	30.3	42%	0.42	18%	0.175	S	C	.	.	H	α-helix	trans	-65.4	-42.8	-179.8	-60.4	-57.4	0	0	0	111.4	L255 E300 F301 A307	L255-Y303 HydrophobicContact CD2-CD1 4.16Å; L255-Y303 WeakPolarHBondContact CD2-O 3.46Å; E300-Y303 HydrophobicContact CB-CD2 3.96Å; E300-Y303 HydrophobicContact CB-CE2 4.34Å; E300-Y303 HydrophobicContact CG-CD2 4.28Å; E300-Y303 HydrophobicContact CG-CE2 4.18Å; E300-Y303 PolarHBondContact O-N 3.26Å; E300-Y303 VanDerWaalsContact O-N 3.11Å; F301-Y303 VanDerWaalsContact C-N 3.33Å; F301-Y303 PolarHBondContact O-N 3.49Å; Y303-A307 WeakPolarHBondContact O-CB 3.36Å; Y303-A307 PolarHBondContact O-N 3.1Å; Y303-A307 VanDerWaalsContact O-N 3.1Å
304	F	96.6	Very high	94.2	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-70.3	-38.1	177.3	-167.4	-158.3	0	0	0	111.6	V284 E290 F293 M294 F301 Q302 A307 L308 L320	V284-F304 HydrophobicContact CG1-CE2 4.34Å; E290-F304 HydrophobicContact CB-CD1 4.27Å; E290-F304 HydrophobicContact CB-CE1 3.66Å; E290-F304 HydrophobicContact CB-CZ 4.23Å; E290-F304 HydrophobicContact CG-CD1 4.29Å; E290-F304 HydrophobicContact CG-CE1 4.07Å; F293-F304 HydrophobicContact CB-CB 3.52Å; F293-F304 HydrophobicContact CB-CD2 3.99Å; F293-F304 HydrophobicContact CB-CG 3.93Å; F293-F304 AromaticContact CD2-CD2 3.39Å; F293-F304 HydrophobicContact CD2-CD2 3.39Å; F293-F304 AromaticContact CD2-CE2 3.78Å; F293-F304 HydrophobicContact CD2-CE2 3.78Å; F293-F304 HydrophobicContact CD2-CG 4.21Å; F293-F304 HydrophobicContact CE2-CD2 4.14Å; F293-F304 HydrophobicContact CE2-CE2 4.32Å; F293-F304 HydrophobicContact CG-CB 4.19Å; F293-F304 AromaticContact CG-CD2 3.9Å; F293-F304 HydrophobicContact CG-CD2 3.9Å; F293-F304 HydrophobicContact CG-CG 4.35Å; M294-F304 HydrophobicContact CG-CB 4.07Å; M294-F304 HydrophobicContact SD-CB 4.02Å; M294-F304 HydrophobicContact SD-CD1 3.78Å; M294-F304 HydrophobicContact SD-CG 4.4Å; F301-F304 PolarHBondContact O-N 3.26Å; Q302-F304 PolarHBondContact O-N 2.59Å; F304-A307 PolarHBondContact O-N 2.88Å; F304-L308 HydrophobicContact CD1-CD1 4.11Å; F304-L308 HydrophobicContact CD2-CD1 3.85Å; F304-L308 HydrophobicContact CD2-CG 3.85Å; F304-L308 HydrophobicContact CE1-CD1 4.08Å; F304-L308 HydrophobicContact CE2-CD1 3.84Å; F304-L308 HydrophobicContact CE2-CD2 4Å; F304-L308 HydrophobicContact CE2-CG 3.82Å; F304-L308 HydrophobicContact CG-CD1 4.03Å; F304-L308 HydrophobicContact CG-CG 4.48Å; F304-L308 HydrophobicContact CZ-CD1 3.99Å; F304-L308 HydrophobicContact CZ-CD2 4.47Å; F304-L308 HydrophobicContact CZ-CG 4.42Å; F304-L308 WeakPolarHBondContact O-CB 3.19Å; F304-L308 VanDerWaalsContact O-CG 3.26Å; F304-L308 WeakPolarHBondContact O-CG 3.37Å; F304-L308 PolarHBondContact O-N 2.64Å; F304-L320 HydrophobicContact CB-CD2 3.76Å; F304-L320 HydrophobicContact CD1-CD1 3.91Å; F304-L320 HydrophobicContact CD1-CD2 3.6Å; F304-L320 HydrophobicContact CD1-CG 4.34Å; F304-L320 HydrophobicContact CE1-CD1 4.5Å; F304-L320 HydrophobicContact CG-CD2 3.92Å
305	F	97.8	Very high	94.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.2	-53.6	174.2	-177.6	-85.3	0	0	0	110.8	V78 D81 V82 F301 Q302 A307 L308 W309 A317 L320 L321	V78-F305 HydrophobicContact CB-CD1 4.14Å; V78-F305 HydrophobicContact CB-CE1 4.17Å; V78-F305 HydrophobicContact CG1-CD1 4Å; V78-F305 HydrophobicContact CG1-CD2 4.44Å; V78-F305 HydrophobicContact CG1-CE1 3.67Å; V78-F305 HydrophobicContact CG1-CE2 4.14Å; V78-F305 HydrophobicContact CG1-CG 4.38Å; V78-F305 HydrophobicContact CG1-CZ 3.74Å; V78-F305 HydrophobicContact CG2-CB 4.2Å; V78-F305 HydrophobicContact CG2-CD1 3.7Å; V78-F305 HydrophobicContact CG2-CE1 4.23Å; V78-F305 HydrophobicContact CG2-CG 3.87Å; D81-F305 HydrophobicContact CB-CE1 4.2Å; V82-F305 HydrophobicContact CG2-CE1 4.04Å; V82-F305 HydrophobicContact CG2-CZ 3.71Å; F301-F305 VanDerWaalsContact O-CB 3.29Å; F301-F305 WeakPolarHBondContact O-CB 3.41Å; F301-F305 PolarHBondContact O-N 2.93Å; Q302-F305 WeakPolarHBondContact O-CB 3.33Å; Q302-F305 PolarHBondContact O-N 2.8Å; F305-A307 VanDerWaalsContact C-N 3.3Å; F305-A307 PolarHBondContact O-N 3.34Å; F305-L308 PolarHBondContact O-N 3.05Å; F305-L308 VanDerWaalsContact O-N 3.15Å; F305-W309 HydrophobicContact CD1-CB 4.15Å; F305-W309 HydrophobicContact CE1-CB 3.83Å; F305-W309 AromaticContact CE1-CD2 3.89Å; F305-W309 HydrophobicContact CE1-CD2 3.89Å; F305-W309 HydrophobicContact CE1-CE3 4.01Å; F305-W309 AromaticContact CE1-CG 3.81Å; F305-W309 HydrophobicContact CE1-CG 3.81Å; F305-W309 AromaticContact CE2-CE3 3.83Å; F305-W309 HydrophobicContact CE2-CE3 3.83Å; F305-W309 HydrophobicContact CE2-CZ3 4.28Å; F305-W309 HydrophobicContact CZ-CB 4.3Å; F305-W309 AromaticContact CZ-CD2 3.65Å; F305-W309 HydrophobicContact CZ-CD2 3.65Å; F305-W309 AromaticContact CZ-CE3 3.32Å; F305-W309 HydrophobicContact CZ-CE3 3.32Å; F305-W309 HydrophobicContact CZ-CG 4.08Å; F305-W309 AromaticContact CZ-CZ3 3.89Å; F305-W309 HydrophobicContact CZ-CZ3 3.89Å; F305-W309 WeakPolarHBondContact O-CB 3.4Å; F305-W309 PolarHBondContact O-N 2.65Å; F305-A317 HydrophobicContact CD2-CB 3.83Å; F305-A317 HydrophobicContact CE2-CB 3.76Å; F305-A317 HydrophobicContact CZ-CB 4.47Å; F305-L320 HydrophobicContact CB-CD2 4.15Å; F305-L321 HydrophobicContact CD2-CD1 4.02Å; F305-L321 HydrophobicContact CD2-CD2 3.83Å; F305-L321 HydrophobicContact CD2-CG 3.73Å; F305-L321 HydrophobicContact CE2-CD1 3.53Å; F305-L321 HydrophobicContact CE2-CD2 4.21Å; F305-L321 HydrophobicContact CE2-CG 3.77Å; F305-L321 HydrophobicContact CZ-CD1 4.32Å
306	T	96.3	Very high	94.7	Very high	12 Å²	12	27.2 Å²	27.2	7%	0.074	15%	0.15	C	C	.	.	H	α-helix	trans	-55.3	-45.7	178.4	-58.9	0	0	0	0	111.1	D81 L255 I259 Q302 L308 W309 L310	D81-T306 VanDerWaalsContact OD2-CA 3.26Å; D81-T306 WeakPolarHBondContact OD2-CA 3.41Å; D81-T306 WeakPolarHBondContact OD2-CB 3.36Å; D81-T306 WeakPolarHBondContact OD2-CG2 3.44Å; D81-T306 PolarHBondContact OD2-OG1 3.05Å; L255-T306 HydrophobicContact CD2-CG2 4.27Å; I259-T306 HydrophobicContact CD1-CG2 4.33Å; Q302-T306 WeakPolarHBondContact O-CB 3.31Å; Q302-T306 PolarHBondContact O-N 2.72Å; Q302-T306 PolarHBondContact O-OG1 2.82Å; T306-L308 PolarHBondContact O-N 3.27Å; T306-W309 PolarHBondContact O-N 3.25Å; T306-L310 HydrophobicContact CG2-CD1 3.71Å; T306-L310 HydrophobicContact CG2-CG 4.21Å; T306-L310 WeakPolarHBondContact O-CB 3.37Å; T306-L310 VanDerWaalsContact O-CG 3.32Å; T306-L310 WeakPolarHBondContact O-CG 3.33Å; T306-L310 PolarHBondContact O-N 3.18Å
307	A	96.2	Very high	95.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-46.4	177.1	0	0	0	0	0	112.9	L255 I259 V284 F293 Y303 F304 F305 S311	L255-A307 HydrophobicContact CD1-CB 4.33Å; I259-A307 HydrophobicContact CD1-CB 4.26Å; V284-A307 HydrophobicContact CG1-CB 3.76Å; V284-A307 HydrophobicContact CG2-CB 4.32Å; F293-A307 HydrophobicContact CD1-CB 4.4Å; F293-A307 HydrophobicContact CE1-CB 3.92Å; F293-A307 HydrophobicContact CE2-CB 4.25Å; F293-A307 HydrophobicContact CZ-CB 3.84Å; Y303-A307 WeakPolarHBondContact O-CB 3.36Å; Y303-A307 PolarHBondContact O-N 3.1Å; Y303-A307 VanDerWaalsContact O-N 3.1Å; F304-A307 PolarHBondContact O-N 2.88Å; F305-A307 VanDerWaalsContact C-N 3.3Å; F305-A307 PolarHBondContact O-N 3.34Å; A307-S311 VanDerWaalsContact O-CB 3.31Å; A307-S311 WeakPolarHBondContact O-CB 3.15Å; A307-S311 PolarHBondContact O-N 3.36Å; A307-S311 PolarHBondContact O-OG 3Å
308	L	97.4	Very high	95.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.3	-42.1	177.8	-70.2	168.7	0	0	0	111.7	V284 F304 F305 T306 S311 G312 Q313 R316 A317 L320	V284-L308 HydrophobicContact CG1-CD2 3.78Å; V284-L308 HydrophobicContact CG1-CG 4.14Å; F304-L308 HydrophobicContact CD1-CD1 4.11Å; F304-L308 HydrophobicContact CD2-CD1 3.85Å; F304-L308 HydrophobicContact CD2-CG 3.85Å; F304-L308 HydrophobicContact CE1-CD1 4.08Å; F304-L308 HydrophobicContact CE2-CD1 3.84Å; F304-L308 HydrophobicContact CE2-CD2 4Å; F304-L308 HydrophobicContact CE2-CG 3.82Å; F304-L308 HydrophobicContact CG-CD1 4.03Å; F304-L308 HydrophobicContact CG-CG 4.48Å; F304-L308 HydrophobicContact CZ-CD1 3.99Å; F304-L308 HydrophobicContact CZ-CD2 4.47Å; F304-L308 HydrophobicContact CZ-CG 4.42Å; F304-L308 WeakPolarHBondContact O-CB 3.19Å; F304-L308 VanDerWaalsContact O-CG 3.26Å; F304-L308 WeakPolarHBondContact O-CG 3.37Å; F304-L308 PolarHBondContact O-N 2.64Å; F305-L308 PolarHBondContact O-N 3.05Å; F305-L308 VanDerWaalsContact O-N 3.15Å; T306-L308 PolarHBondContact O-N 3.27Å; L308-S311 CarbonylContact O-C 3.59Å; L308-S311 PolarHBondContact O-N 3.06Å; L308-S311 PolarHBondContact O-OG 2.7Å; L308-S311 VanDerWaalsContact O-OG 3.1Å; L308-G312 PolarHBondContact O-N 3Å; L308-G312 VanDerWaalsContact O-N 3.16Å; L308-Q313 HydrophobicContact CB-CB 4.31Å; L308-Q313 HydrophobicContact CD2-CB 3.95Å; L308-Q313 WeakPolarHBondContact O-CB 3.23Å; L308-Q313 PolarHBondContact O-N 3.2Å; L308-R316 HydrophobicContact CD1-CB 4.42Å; L308-R316 HydrophobicContact CD1-CG 4.45Å; L308-R316 HydrophobicContact CD2-CB 4.38Å; L308-A317 HydrophobicContact CB-CB 3.83Å; L308-A317 HydrophobicContact CD1-CB 4.44Å; L308-L320 HydrophobicContact CD1-CD2 4.27Å
309	W	97.4	Very high	96	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-69.6	-49.1	-173.9	-163.8	-98	0	0	0	112	D81 V82 L86 F305 T306 S311 G312 F314 A317 I318 V333	D81-W309 HydrophobicContact CB-CG 4.43Å; D81-W309 PolarHBondContact O-NE1 2.78Å; D81-W309 VanDerWaalsContact O-NE1 3.17Å; V82-W309 HydrophobicContact CB-CZ2 4.04Å; V82-W309 HydrophobicContact CG1-CZ2 4.01Å; V82-W309 HydrophobicContact CG2-CD2 4.37Å; V82-W309 HydrophobicContact CG2-CH2 4.09Å; V82-W309 HydrophobicContact CG2-CZ2 3.65Å; L86-W309 HydrophobicContact CD1-CH2 3.76Å; L86-W309 HydrophobicContact CD1-CZ2 3.4Å; L86-W309 HydrophobicContact CD2-CZ2 4.46Å; L86-W309 HydrophobicContact CG-CH2 4.43Å; L86-W309 HydrophobicContact CG-CZ2 3.62Å; F305-W309 HydrophobicContact CD1-CB 4.15Å; F305-W309 HydrophobicContact CE1-CB 3.83Å; F305-W309 AromaticContact CE1-CD2 3.89Å; F305-W309 HydrophobicContact CE1-CD2 3.89Å; F305-W309 HydrophobicContact CE1-CE3 4.01Å; F305-W309 AromaticContact CE1-CG 3.81Å; F305-W309 HydrophobicContact CE1-CG 3.81Å; F305-W309 AromaticContact CE2-CE3 3.83Å; F305-W309 HydrophobicContact CE2-CE3 3.83Å; F305-W309 HydrophobicContact CE2-CZ3 4.28Å; F305-W309 HydrophobicContact CZ-CB 4.3Å; F305-W309 AromaticContact CZ-CD2 3.65Å; F305-W309 HydrophobicContact CZ-CD2 3.65Å; F305-W309 AromaticContact CZ-CE3 3.32Å; F305-W309 HydrophobicContact CZ-CE3 3.32Å; F305-W309 HydrophobicContact CZ-CG 4.08Å; F305-W309 AromaticContact CZ-CZ3 3.89Å; F305-W309 HydrophobicContact CZ-CZ3 3.89Å; F305-W309 WeakPolarHBondContact O-CB 3.4Å; F305-W309 PolarHBondContact O-N 2.65Å; T306-W309 PolarHBondContact O-N 3.25Å; W309-S311 VanDerWaalsContact C-N 3.27Å; W309-S311 PolarHBondContact O-N 2.9Å; W309-G312 WeakPolarHBondContact O-CA 3.42Å; W309-G312 PolarHBondContact O-N 3.29Å; W309-F314 AromaticContact CD2-CD1 3.73Å; W309-F314 HydrophobicContact CD2-CD1 3.73Å; W309-F314 AromaticContact CD2-CE1 3.9Å; W309-F314 HydrophobicContact CD2-CE1 3.9Å; W309-F314 AromaticContact CE2-CD1 3.87Å; W309-F314 AromaticContact CE2-CE1 3.74Å; W309-F314 AromaticContact CE3-CD1 3.59Å; W309-F314 HydrophobicContact CE3-CD1 3.59Å; W309-F314 HydrophobicContact CE3-CE1 4.25Å; W309-F314 HydrophobicContact CG-CE1 4.39Å; W309-F314 AromaticContact CH2-CD1 3.73Å; W309-F314 HydrophobicContact CH2-CD1 3.73Å; W309-F314 HydrophobicContact CH2-CE1 4.26Å; W309-F314 AromaticContact CZ2-CD1 3.9Å; W309-F314 HydrophobicContact CZ2-CD1 3.9Å; W309-F314 AromaticContact CZ2-CE1 3.97Å; W309-F314 HydrophobicContact CZ2-CE1 3.97Å; W309-F314 HydrophobicContact CZ3-CB 4.25Å; W309-F314 AromaticContact CZ3-CD1 3.58Å; W309-F314 HydrophobicContact CZ3-CD1 3.58Å; W309-F314 HydrophobicContact CZ3-CE1 4.41Å; W309-F314 HydrophobicContact CZ3-CG 4.38Å; W309-A317 HydrophobicContact CE3-CB 3.7Å; W309-A317 HydrophobicContact CZ3-CB 4.31Å; W309-I318 HydrophobicContact CZ3-CG1 4.21Å; W309-V333 HydrophobicContact CH2-CG1 3.23Å; W309-V333 HydrophobicContact CZ2-CG1 4.15Å; W309-V333 HydrophobicContact CZ3-CG1 3.51Å
310	L	95.8	Very high	96.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-69.5	-25	178.4	-60.9	-177	0	0	0	112.5	V85 A107 Y110 L111 I259 L263 T306 G312	V85-L310 HydrophobicContact CG2-CD2 3.74Å; A107-L310 HydrophobicContact CB-CB 4.45Å; A107-L310 HydrophobicContact CB-CD2 4.1Å; Y110-L310 HydrophobicContact CD1-CD1 4.36Å; Y110-L310 HydrophobicContact CD1-CD2 3.86Å; Y110-L310 HydrophobicContact CE1-CD1 4.41Å; Y110-L310 HydrophobicContact CE1-CD2 4.25Å; L111-L310 HydrophobicContact CD1-CD1 4.2Å; L111-L310 HydrophobicContact CD2-CD1 3.75Å; L111-L310 HydrophobicContact CG-CD1 4.05Å; I259-L310 HydrophobicContact CD1-CB 4.47Å; I259-L310 HydrophobicContact CD1-CD1 4.06Å; I259-L310 HydrophobicContact CG2-CB 3.98Å; I259-L310 HydrophobicContact CG2-CD1 4.2Å; L263-L310 HydrophobicContact CD1-CB 4.33Å; L263-L310 WeakPolarHBondContact CD1-O 3.47Å; T306-L310 HydrophobicContact CG2-CD1 3.71Å; T306-L310 HydrophobicContact CG2-CG 4.21Å; T306-L310 WeakPolarHBondContact O-CB 3.37Å; T306-L310 VanDerWaalsContact O-CG 3.32Å; T306-L310 WeakPolarHBondContact O-CG 3.33Å; T306-L310 PolarHBondContact O-N 3.18Å; L310-G312 VanDerWaalsContact C-N 3.27Å
311	S	94.4	Very high	96.7	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.007	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	5.8	169.3	64.1	0	0	0	0	113.7	F277 Q281 A307 L308 W309 Q313	F277-S311 WeakPolarHBondContact CZ-O 3.32Å; Q281-S311 WeakPolarHBondContact CG-O 3.23Å; Q281-S311 PolarHBondContact NE2-O 3.01Å; A307-S311 VanDerWaalsContact O-CB 3.31Å; A307-S311 WeakPolarHBondContact O-CB 3.15Å; A307-S311 PolarHBondContact O-N 3.36Å; A307-S311 PolarHBondContact O-OG 3Å; L308-S311 CarbonylContact O-C 3.59Å; L308-S311 PolarHBondContact O-N 3.06Å; L308-S311 PolarHBondContact O-OG 2.7Å; L308-S311 VanDerWaalsContact O-OG 3.1Å; W309-S311 VanDerWaalsContact C-N 3.27Å; W309-S311 PolarHBondContact O-N 2.9Å; S311-Q313 PolarHBondContact O-N 2.66Å; S311-Q313 PolarHBondContact OG-NE2 2.95Å
312	G	94.6	Very high	96.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	19.8	173.3	0	0	0	0	0	115.8	R94 L308 W309 L310 F314	R94-G312 PolarHBondContact NH2-O 3.08Å; L308-G312 PolarHBondContact O-N 3Å; L308-G312 VanDerWaalsContact O-N 3.16Å; W309-G312 WeakPolarHBondContact O-CA 3.42Å; W309-G312 PolarHBondContact O-N 3.29Å; L310-G312 VanDerWaalsContact C-N 3.27Å; G312-F314 VanDerWaalsContact C-N 3.27Å; G312-F314 PolarHBondContact O-N 3.22Å
313	Q	95.9	Very high	96.7	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.023	8%	0.084	C	C	.	.			trans	-90	56.7	178.1	-61.3	178.9	88.4	0	0	111	Q281 S285 L308 S311 E315 R316 A317	Q281-Q313 HydrophobicContact CB-CG 4.15Å; Q281-Q313 HydrophobicContact CG-CG 3.86Å; Q281-Q313 PolarHBondContact O-NE2 2.72Å; Q281-Q313 PolarHBondContact O-OE1 2.93Å; S285-Q313 PolarHBondContact OG-OE1 3.21Å; L308-Q313 HydrophobicContact CB-CB 4.31Å; L308-Q313 HydrophobicContact CD2-CB 3.95Å; L308-Q313 WeakPolarHBondContact O-CB 3.23Å; L308-Q313 PolarHBondContact O-N 3.2Å; S311-Q313 PolarHBondContact O-N 2.66Å; S311-Q313 PolarHBondContact OG-NE2 2.95Å; Q313-E315 PolarHBondContact O-N 3.32Å; Q313-R316 PolarHBondContact O-N 2.9Å; Q313-A317 PolarHBondContact O-N 3.43Å; Q313-A317 VanDerWaalsContact O-N 3.1Å
314	F	97.5	Very high	96.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.1	-43.4	-168.8	-59.5	-57.6	0	0	0	114	V85 L86 R94 L103 W309 G312 R316 A317 I318 Y342	V85-F314 HydrophobicContact CG1-CE1 4.16Å; V85-F314 HydrophobicContact CG1-CZ 4.06Å; L86-F314 HydrophobicContact CD2-CE1 4.2Å; L86-F314 HydrophobicContact CD2-CZ 4.01Å; R94-F314 VanDerWaalsContact NH2-CE2 3.29Å; L103-F314 HydrophobicContact CD1-CE1 4.39Å; L103-F314 HydrophobicContact CD1-CE2 3.57Å; L103-F314 HydrophobicContact CD1-CZ 3.3Å; L103-F314 HydrophobicContact CG-CZ 4.43Å; W309-F314 AromaticContact CD2-CD1 3.73Å; W309-F314 HydrophobicContact CD2-CD1 3.73Å; W309-F314 AromaticContact CD2-CE1 3.9Å; W309-F314 HydrophobicContact CD2-CE1 3.9Å; W309-F314 AromaticContact CE2-CD1 3.87Å; W309-F314 AromaticContact CE2-CE1 3.74Å; W309-F314 AromaticContact CE3-CD1 3.59Å; W309-F314 HydrophobicContact CE3-CD1 3.59Å; W309-F314 HydrophobicContact CE3-CE1 4.25Å; W309-F314 HydrophobicContact CG-CE1 4.39Å; W309-F314 AromaticContact CH2-CD1 3.73Å; W309-F314 HydrophobicContact CH2-CD1 3.73Å; W309-F314 HydrophobicContact CH2-CE1 4.26Å; W309-F314 AromaticContact CZ2-CD1 3.9Å; W309-F314 HydrophobicContact CZ2-CD1 3.9Å; W309-F314 AromaticContact CZ2-CE1 3.97Å; W309-F314 HydrophobicContact CZ2-CE1 3.97Å; W309-F314 HydrophobicContact CZ3-CB 4.25Å; W309-F314 AromaticContact CZ3-CD1 3.58Å; W309-F314 HydrophobicContact CZ3-CD1 3.58Å; W309-F314 HydrophobicContact CZ3-CE1 4.41Å; W309-F314 HydrophobicContact CZ3-CG 4.38Å; G312-F314 VanDerWaalsContact C-N 3.27Å; G312-F314 PolarHBondContact O-N 3.22Å; F314-R316 PolarHBondContact O-N 3.33Å; F314-A317 PolarHBondContact O-N 2.98Å; F314-I318 WeakPolarHBondContact O-CB 3.4Å; F314-I318 WeakPolarHBondContact O-CD1 3.39Å; F314-I318 VanDerWaalsContact O-CG1 3.29Å; F314-I318 WeakPolarHBondContact O-CG1 3.48Å; F314-I318 PolarHBondContact O-N 2.98Å; F314-Y342 WeakPolarHBondContact CD2-O 3.34Å; F314-Y342 AromaticContact CE2-CD1 3.63Å; F314-Y342 HydrophobicContact CE2-CD1 3.63Å; F314-Y342 HydrophobicContact CE2-CG 4.1Å; F314-Y342 HydrophobicContact CZ-CD1 4.03Å
315	E	97.9	Very high	96.4	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	9%	0.094	C	C	.	.	H	α-helix	trans	-59.7	-40.5	-177.2	-59.7	76.6	-166.3	0	0	110.7	Q313 Y319 L343 R344 L354 C364 L366	Q313-E315 PolarHBondContact O-N 3.32Å; E315-Y319 WeakPolarHBondContact O-CB 3.22Å; E315-Y319 PolarHBondContact O-N 3.01Å; E315-L343 HydrophobicContact CG-CD1 3.89Å; E315-R344 HydrophobicContact CG-CB 4.26Å; E315-R344 WeakPolarHBondContact OE1-CA 3.29Å; E315-R344 WeakPolarHBondContact OE1-CB 3.28Å; E315-R344 VanDerWaalsContact OE1-CG 3.31Å; E315-R344 WeakPolarHBondContact OE1-CG 3.46Å; E315-R344 PolarHBondContact OE1-N 2.94Å; E315-R344 IonicContact OE1-NH1 2.74Å; E315-R344 PolarHBondContact OE1-NH1 3.33Å; E315-R344 IonicContact OE2-NH1 3.73Å; E315-R344 PolarHBondContact OE2-NH1 3.4Å; E315-L354 HydrophobicContact CB-CD1 3.85Å; E315-L354 WeakPolarHBondContact O-CD1 3.4Å; E315-C364 HydrophobicContact CB-CB 3.89Å; E315-C364 WeakPolarHBondContact CG-O 3.28Å; E315-L366 HydrophobicContact CB-CB 4.14Å; E315-L366 HydrophobicContact CG-CB 4.07Å
316	R	97.7	Very high	96.2	Very high	43 Å²	43	20 Å²	20	16%	0.162	11%	0.105	C	C	.	.	H	α-helix	trans	-76.3	-36.6	-178.7	-152.2	166.8	106.9	157	16.5	112.3	S285 L308 Q313 F314 Y319 L320 L354	S285-R316 VanDerWaalsContact C-NH2 3.29Å; S285-R316 PolarHBondContact O-NH1 3.05Å; S285-R316 PolarHBondContact O-NH2 3.38Å; S285-R316 PolarHBondContact OG-NH1 3.01Å; L308-R316 HydrophobicContact CD1-CB 4.42Å; L308-R316 HydrophobicContact CD1-CG 4.45Å; L308-R316 HydrophobicContact CD2-CB 4.38Å; Q313-R316 PolarHBondContact O-N 2.9Å; F314-R316 PolarHBondContact O-N 3.33Å; R316-Y319 PolarHBondContact O-N 2.71Å; R316-L320 WeakPolarHBondContact O-CB 3.43Å; R316-L320 PolarHBondContact O-N 3.29Å; R316-L354 HydrophobicContact CG-CD2 3.9Å
317	A	98.3	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.9	-41.8	173.2	0	0	0	0	0	112	F305 L308 W309 Q313 F314 L320 L321	F305-A317 HydrophobicContact CD2-CB 3.83Å; F305-A317 HydrophobicContact CE2-CB 3.76Å; F305-A317 HydrophobicContact CZ-CB 4.47Å; L308-A317 HydrophobicContact CB-CB 3.83Å; L308-A317 HydrophobicContact CD1-CB 4.44Å; W309-A317 HydrophobicContact CE3-CB 3.7Å; W309-A317 HydrophobicContact CZ3-CB 4.31Å; Q313-A317 PolarHBondContact O-N 3.43Å; Q313-A317 VanDerWaalsContact O-N 3.1Å; F314-A317 PolarHBondContact O-N 2.98Å; A317-L320 WeakPolarHBondContact O-CB 3.5Å; A317-L320 PolarHBondContact O-N 3.21Å; A317-L321 PolarHBondContact O-N 2.89Å
318	I	98.6	Very high	96.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.1	-44.1	175.3	-71.9	159.1	0	0	0	111.1	W309 F314 L320 L321 H322 S330 V333 A334 A337 L343 L366 L371	W309-I318 HydrophobicContact CZ3-CG1 4.21Å; F314-I318 WeakPolarHBondContact O-CB 3.4Å; F314-I318 WeakPolarHBondContact O-CD1 3.39Å; F314-I318 VanDerWaalsContact O-CG1 3.29Å; F314-I318 WeakPolarHBondContact O-CG1 3.48Å; F314-I318 PolarHBondContact O-N 2.98Å; I318-L320 VanDerWaalsContact C-N 3.33Å; I318-L321 PolarHBondContact O-N 2.86Å; I318-H322 PolarHBondContact O-N 3.48Å; I318-S330 PolarHBondContact O-OG 3.04Å; I318-V333 HydrophobicContact CD1-CG1 4.46Å; I318-V333 HydrophobicContact CG1-CG1 3.9Å; I318-A334 HydrophobicContact CD1-CB 4.03Å; I318-A334 HydrophobicContact CG1-CB 4.44Å; I318-A334 HydrophobicContact CG2-CB 3.79Å; I318-A337 HydrophobicContact CD1-CB 4.29Å; I318-L343 HydrophobicContact CD1-CD1 3.57Å; I318-L366 HydrophobicContact CB-CD2 4.42Å; I318-L366 HydrophobicContact CD1-CD2 4.37Å; I318-L366 HydrophobicContact CG2-CD1 4.19Å; I318-L366 HydrophobicContact CG2-CD2 3.7Å; I318-L371 HydrophobicContact CG2-CD2 3.85Å
319	Y	97.9	Very high	96	Very high	68 Å²	68	27.5 Å²	27.5	27%	0.267	13%	0.133	S	C	.	.	H	α-helix	trans	-62.7	-40.6	176.4	-178.5	-104.6	0	0	0	111.7	E315 R316 L321 H322 E323 M353 L354	E315-Y319 WeakPolarHBondContact O-CB 3.22Å; E315-Y319 PolarHBondContact O-N 3.01Å; R316-Y319 PolarHBondContact O-N 2.71Å; Y319-L321 VanDerWaalsContact C-N 3.33Å; Y319-L321 PolarHBondContact O-N 3.15Å; Y319-H322 WeakPolarHBondContact O-CA 3.49Å; Y319-H322 VanDerWaalsContact O-CB 3.29Å; Y319-H322 WeakPolarHBondContact O-CB 3.4Å; Y319-H322 PolarHBondContact O-N 3.41Å; Y319-E323 HydrophobicContact CD1-CG 3.93Å; Y319-E323 HydrophobicContact CE1-CG 3.4Å; Y319-E323 VanDerWaalsContact CE1-CG 3.4Å; Y319-E323 HydrophobicContact CE2-CG 4.06Å; Y319-E323 HydrophobicContact CG-CG 4.45Å; Y319-E323 VanDerWaalsContact CZ-CG 3.48Å; Y319-E323 WeakPolarHBondContact O-CG 3.33Å; Y319-E323 PolarHBondContact O-N 3.01Å; Y319-E323 PolarHBondContact OH-OE1 3.15Å; Y319-E323 PolarHBondContact OH-OE2 3.25Å; Y319-M353 HydrophobicContact CD2-CB 4.08Å; Y319-M353 HydrophobicContact CD2-CG 3.98Å; Y319-M353 HydrophobicContact CD2-SD 3.96Å; Y319-M353 HydrophobicContact CE2-CB 3.96Å; Y319-M353 HydrophobicContact CE2-CG 4.3Å; Y319-M353 HydrophobicContact CE2-SD 4.23Å; Y319-L354 HydrophobicContact CD1-CB 4.19Å; Y319-L354 HydrophobicContact CD1-CD2 3.77Å; Y319-L354 HydrophobicContact CD2-CB 3.8Å; Y319-L354 HydrophobicContact CE1-CD2 4.45Å; Y319-L354 HydrophobicContact CE2-CB 4.25Å; Y319-L354 HydrophobicContact CG-CB 3.76Å; Y319-L354 HydrophobicContact CG-CD2 3.97Å; Y319-L354 HydrophobicContact CG-CG 4.33Å
320	L	97.8	Very high	96	Very high	9 Å²	9	27.5 Å²	27.5	5%	0.047	13%	0.133	C	C	.	.	H	α-helix	trans	-56.1	-45.7	174.5	174	67	0	0	0	112.1	M294 F304 F305 L308 R316 A317 I318 H322 E323 C324	M294-L320 HydrophobicContact CE-CD1 4.07Å; M294-L320 HydrophobicContact SD-CD1 3.59Å; M294-L320 VanDerWaalsContact SD-CD1 3.59Å; M294-L320 HydrophobicContact SD-CD2 4.49Å; F304-L320 HydrophobicContact CB-CD2 3.76Å; F304-L320 HydrophobicContact CD1-CD1 3.91Å; F304-L320 HydrophobicContact CD1-CD2 3.6Å; F304-L320 HydrophobicContact CD1-CG 4.34Å; F304-L320 HydrophobicContact CE1-CD1 4.5Å; F304-L320 HydrophobicContact CG-CD2 3.92Å; F305-L320 HydrophobicContact CB-CD2 4.15Å; L308-L320 HydrophobicContact CD1-CD2 4.27Å; R316-L320 WeakPolarHBondContact O-CB 3.43Å; R316-L320 PolarHBondContact O-N 3.29Å; A317-L320 WeakPolarHBondContact O-CB 3.5Å; A317-L320 PolarHBondContact O-N 3.21Å; I318-L320 VanDerWaalsContact C-N 3.33Å; L320-H322 VanDerWaalsContact C-N 3.27Å; L320-H322 PolarHBondContact O-N 3.47Å; L320-E323 PolarHBondContact O-N 2.9Å; L320-C324 WeakPolarHBondContact O-CB 3.39Å; L320-C324 PolarHBondContact O-N 3.03Å; L320-C324 PolarHBondContact O-SG 3.07Å
321	L	97.6	Very high	96.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-39.2	175.5	-67.2	-178.8	0	0	0	111.7	V78 F301 F305 A317 I318 Y319 G325 Q326 D329 V333	V78-L321 HydrophobicContact CG1-CD1 4.18Å; V78-L321 HydrophobicContact CG1-CD2 4.27Å; V78-L321 HydrophobicContact CG2-CD2 4.4Å; F301-L321 HydrophobicContact CD2-CD2 3.73Å; F301-L321 HydrophobicContact CE2-CD2 3.69Å; F305-L321 HydrophobicContact CD2-CD1 4.02Å; F305-L321 HydrophobicContact CD2-CD2 3.83Å; F305-L321 HydrophobicContact CD2-CG 3.73Å; F305-L321 HydrophobicContact CE2-CD1 3.53Å; F305-L321 HydrophobicContact CE2-CD2 4.21Å; F305-L321 HydrophobicContact CE2-CG 3.77Å; F305-L321 HydrophobicContact CZ-CD1 4.32Å; A317-L321 PolarHBondContact O-N 2.89Å; I318-L321 PolarHBondContact O-N 2.86Å; Y319-L321 VanDerWaalsContact C-N 3.33Å; Y319-L321 PolarHBondContact O-N 3.15Å; L321-G325 PolarHBondContact O-N 2.68Å; L321-Q326 HydrophobicContact CB-CB 4.21Å; L321-Q326 HydrophobicContact CD2-CB 4.31Å; L321-Q326 HydrophobicContact CD2-CG 4.48Å; L321-Q326 WeakPolarHBondContact O-CA 3.33Å; L321-Q326 WeakPolarHBondContact O-CB 3.26Å; L321-Q326 PolarHBondContact O-N 3.03Å; L321-D329 HydrophobicContact CD1-CB 4.39Å; L321-V333 HydrophobicContact CD1-CG2 4.32Å
322	H	95.9	Very high	96.3	Very high	42 Å²	42	27.5 Å²	27.5	19%	0.194	13%	0.133	C	C	.	.	H	α-helix	trans	-61.8	-50.4	176.6	-179.7	75.1	0	0	0	111.6	I318 Y319 L320 C324 G325 M353 L371	I318-H322 PolarHBondContact O-N 3.48Å; Y319-H322 WeakPolarHBondContact O-CA 3.49Å; Y319-H322 VanDerWaalsContact O-CB 3.29Å; Y319-H322 WeakPolarHBondContact O-CB 3.4Å; Y319-H322 PolarHBondContact O-N 3.41Å; L320-H322 VanDerWaalsContact C-N 3.27Å; L320-H322 PolarHBondContact O-N 3.47Å; H322-C324 VanDerWaalsContact C-N 3.3Å; H322-C324 PolarHBondContact O-N 2.88Å; H322-G325 PolarHBondContact O-N 3.39Å; H322-M353 HydrophobicContact CB-SD 4.1Å; H322-M353 PolarHBondContact CD2-SD 3.2Å; H322-M353 VanDerWaalsContact CG-SD 3.55Å; H322-M353 VanDerWaalsContact NE2-CE 3.32Å; H322-M353 WeakPolarHBondContact NE2-CE 3.5Å; H322-L371 HydrophobicContact CB-CD1 4.39Å
323	E	94.6	Very high	96.5	Very high	113 Å²	113	27.5 Å²	27.5	53%	0.528	13%	0.133	S	C	.	.	H	α-helix	trans	-64.1	-35.2	-178.7	-65.7	-66.8	85	0	0	112.1	Y319 L320 G325	Y319-E323 HydrophobicContact CD1-CG 3.93Å; Y319-E323 HydrophobicContact CE1-CG 3.4Å; Y319-E323 VanDerWaalsContact CE1-CG 3.4Å; Y319-E323 HydrophobicContact CE2-CG 4.06Å; Y319-E323 HydrophobicContact CG-CG 4.45Å; Y319-E323 VanDerWaalsContact CZ-CG 3.48Å; Y319-E323 WeakPolarHBondContact O-CG 3.33Å; Y319-E323 PolarHBondContact O-N 3.01Å; Y319-E323 PolarHBondContact OH-OE1 3.15Å; Y319-E323 PolarHBondContact OH-OE2 3.25Å; L320-E323 PolarHBondContact O-N 2.9Å; E323-G325 PolarHBondContact O-N 2.93Å
324	C	94.3	Very high	96.6	Very high	28 Å²	28	27.3 Å²	27.3	19%	0.189	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	7.3	176.7	-61.1	0	0	0	0	113.5	F301 L320 H322 Q326	F301-C324 HydrophobicContact CB-CB 4.14Å; F301-C324 VanDerWaalsContact CB-SG 3.59Å; F301-C324 HydrophobicContact CG-CB 4.28Å; L320-C324 WeakPolarHBondContact O-CB 3.39Å; L320-C324 PolarHBondContact O-N 3.03Å; L320-C324 PolarHBondContact O-SG 3.07Å; H322-C324 VanDerWaalsContact C-N 3.3Å; H322-C324 PolarHBondContact O-N 2.88Å; C324-Q326 VanDerWaalsContact C-N 3.31Å; C324-Q326 PolarHBondContact O-N 2.85Å
325	G	91.3	Very high	96.5	Very high	45 Å²	45	27.3 Å²	27.3	46%	0.464	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	4.2	176.3	0	0	0	0	0	115.2	L321 H322 E323 R327	L321-G325 PolarHBondContact O-N 2.68Å; H322-G325 PolarHBondContact O-N 3.39Å; E323-G325 PolarHBondContact O-N 2.93Å; G325-R327 PolarHBondContact O-N 3.49Å
326	Q	94.2	Very high	96.5	Very high	51 Å²	51	27.2 Å²	27.2	24%	0.238	13%	0.132	C	C	.	.			trans	-80.2	60.9	176.1	-52.8	-56.9	-21.9	0	0	110.5	L75 F301 L321 C324 D329 S330	L75-Q326 HydrophobicContact CD2-CB 4.36Å; L75-Q326 HydrophobicContact CD2-CG 4.05Å; F301-Q326 HydrophobicContact CE1-CG 4.47Å; F301-Q326 HydrophobicContact CE2-CG 4.04Å; F301-Q326 HydrophobicContact CZ-CG 3.94Å; L321-Q326 HydrophobicContact CB-CB 4.21Å; L321-Q326 HydrophobicContact CD2-CB 4.31Å; L321-Q326 HydrophobicContact CD2-CG 4.48Å; L321-Q326 WeakPolarHBondContact O-CA 3.33Å; L321-Q326 WeakPolarHBondContact O-CB 3.26Å; L321-Q326 PolarHBondContact O-N 3.03Å; C324-Q326 VanDerWaalsContact C-N 3.31Å; C324-Q326 PolarHBondContact O-N 2.85Å; Q326-D329 HydrophobicContact CB-CB 4.33Å; Q326-D329 PolarHBondContact O-N 3.25Å; Q326-S330 VanDerWaalsContact O-CB 3.28Å; Q326-S330 WeakPolarHBondContact O-CB 3.31Å; Q326-S330 PolarHBondContact O-N 3.37Å
327	R	93.3	Very high	96.4	Very high	161 Å²	161	25.2 Å²	25.2	61%	0.608	12%	0.124	S	C	*	.	H	α-helix	trans	-64.1	-44.4	-168.5	-64.1	179.4	-175.4	175.5	3.6	113	G325 V331 Y375	G325-R327 PolarHBondContact O-N 3.49Å; R327-V331 WeakPolarHBondContact O-CG2 3.24Å; R327-V331 PolarHBondContact O-N 3.39Å; R327-Y375 HydrophobicContact CB-CD2 4.38Å
328	V	95.3	Very high	96.2	Very high	8 Å²	8	28 Å²	28	5%	0.048	14%	0.137	C	C	.	.	H	α-helix	trans	-61.2	-52	179	-178.2	0	0	0	0	108.9	R38 E39 F42 V331 H332 Y375	R38-V328 HydrophobicContact CG-CG1 4.11Å; E39-V328 HydrophobicContact CB-CG2 4.07Å; F42-V328 HydrophobicContact CB-CG1 4.11Å; F42-V328 HydrophobicContact CD2-CG1 4.1Å; F42-V328 HydrophobicContact CG-CG1 4.13Å; V328-V331 PolarHBondContact O-N 2.73Å; V328-H332 PolarHBondContact O-N 3.12Å; V328-H332 PolarHBondContact O-ND1 3.5Å; V328-Y375 HydrophobicContact CG2-CE2 4.16Å
329	D	96.3	Very high	95.9	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.011	15%	0.152	C	C	.	.	H	α-helix	trans	-63.7	-45.9	-177.7	-56.1	-86.2	0	0	0	112	R38 L75 W79 L321 Q326 V331 H332 V333	R38-D329 IonicContact CZ-OD1 3.97Å; R38-D329 VanDerWaalsContact CZ-OD1 3.29Å; R38-D329 IonicContact CZ-OD2 3.93Å; R38-D329 IonicContact NE-OD1 3.65Å; R38-D329 PolarHBondContact NE-OD1 3.11Å; R38-D329 VanDerWaalsContact NE-OD1 3.1Å; R38-D329 IonicContact NE-OD2 3.68Å; R38-D329 PolarHBondContact NE-OD2 2.63Å; R38-D329 VanDerWaalsContact NE-OD2 3.13Å; R38-D329 IonicContact NH2-OD1 3.2Å; R38-D329 PolarHBondContact NH2-OD1 2.88Å; L75-D329 HydrophobicContact CD2-CB 4.36Å; W79-D329 PolarHBondContact NE1-OD1 3.4Å; L321-D329 HydrophobicContact CD1-CB 4.39Å; Q326-D329 HydrophobicContact CB-CB 4.33Å; Q326-D329 PolarHBondContact O-N 3.25Å; D329-V331 VanDerWaalsContact C-N 3.3Å; D329-V331 PolarHBondContact O-N 3.34Å; D329-H332 PolarHBondContact O-N 3.47Å; D329-V333 VanDerWaalsContact O-CB 3.25Å; D329-V333 WeakPolarHBondContact O-CB 3.4Å; D329-V333 WeakPolarHBondContact O-CG2 3.2Å; D329-V333 PolarHBondContact O-N 2.87Å
330	S	97.7	Very high	95.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-52.1	-48.1	176.4	-178.7	0	0	0	0	112	I318 Q326 A334	I318-S330 PolarHBondContact O-OG 3.04Å; Q326-S330 VanDerWaalsContact O-CB 3.28Å; Q326-S330 WeakPolarHBondContact O-CB 3.31Å; Q326-S330 PolarHBondContact O-N 3.37Å; S330-A334 VanDerWaalsContact O-CB 3.25Å; S330-A334 WeakPolarHBondContact O-CB 3.36Å; S330-A334 PolarHBondContact O-N 2.92Å
331	V	98	Very high	95.5	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-68.6	-46.2	-178.9	172	0	0	0	0	111.4	R327 V328 D329 A334 V335 L371 I372 Y375 Y390	R327-V331 WeakPolarHBondContact O-CG2 3.24Å; R327-V331 PolarHBondContact O-N 3.39Å; V328-V331 PolarHBondContact O-N 2.73Å; D329-V331 VanDerWaalsContact C-N 3.3Å; D329-V331 PolarHBondContact O-N 3.34Å; V331-A334 WeakPolarHBondContact O-CB 3.38Å; V331-A334 PolarHBondContact O-N 3.14Å; V331-V335 HydrophobicContact CG1-CG2 4.37Å; V331-V335 VanDerWaalsContact O-CG2 3.29Å; V331-V335 WeakPolarHBondContact O-CG2 3.48Å; V331-V335 PolarHBondContact O-N 2.79Å; V331-L371 HydrophobicContact CG2-CD1 4.05Å; V331-L371 HydrophobicContact CG2-CD2 4.41Å; V331-L371 HydrophobicContact CG2-CG 3.91Å; V331-I372 HydrophobicContact CG1-CG1 4.36Å; V331-Y375 HydrophobicContact CB-CD1 4.21Å; V331-Y375 HydrophobicContact CB-CG 4.2Å; V331-Y375 HydrophobicContact CG1-CD1 3.82Å; V331-Y375 HydrophobicContact CG1-CE1 4.22Å; V331-Y375 HydrophobicContact CG1-CG 4.24Å; V331-Y375 VanDerWaalsContact CG2-CB 3.47Å; V331-Y375 HydrophobicContact CG2-CD1 3.96Å; V331-Y375 HydrophobicContact CG2-CD2 3.87Å; V331-Y375 HydrophobicContact CG2-CG 3.48Å; V331-Y375 VanDerWaalsContact CG2-CG 3.48Å; V331-Y390 HydrophobicContact CG1-CD1 4.12Å; V331-Y390 HydrophobicContact CG1-CE1 3.94Å
332	H	97.8	Very high	95.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-71.6	-36	-175.9	-67.6	90	0	0	0	112.4	F42 M62 W79 V328 D329 A334 V335 L336 Y390	F42-H332 WeakPolarHBondContact CB-NE2 3.3Å; F42-H332 HydrophobicContact CD1-CB 3.75Å; F42-H332 AromaticContact CD1-CD2 3.85Å; F42-H332 AromaticContact CD1-CG 3.54Å; F42-H332 AromaticContact CD1-ND1 3.98Å; F42-H332 HydrophobicContact CE1-CB 4.17Å; M62-H332 HydrophobicContact CE-CB 4.45Å; M62-H332 HydrophobicContact SD-CB 4.11Å; W79-H332 HydrophobicContact CH2-CB 4.07Å; W79-H332 HydrophobicContact CZ2-CB 4.27Å; V328-H332 PolarHBondContact O-N 3.12Å; V328-H332 PolarHBondContact O-ND1 3.5Å; D329-H332 PolarHBondContact O-N 3.47Å; H332-A334 VanDerWaalsContact C-N 3.35Å; H332-V335 PolarHBondContact O-N 2.95Å; H332-L336 WeakPolarHBondContact O-CB 3.34Å; H332-L336 PolarHBondContact O-N 3.37Å; H332-Y390 AromaticContact CE1-CZ 3.98Å; H332-Y390 PolarHBondContact CE1-OH 3.49Å; H332-Y390 AromaticContact NE2-CE1 3.59Å; H332-Y390 AromaticContact NE2-CZ 3.56Å; H332-Y390 PolarHBondContact NE2-OH 3.49Å
333	V	98.2	Very high	95.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-42.2	169.8	175.1	0	0	0	0	110.4	W79 V82 W309 I318 L321 D329 L336 A337	W79-V333 HydrophobicContact CE3-CG2 4.37Å; W79-V333 HydrophobicContact CH2-CG2 3.61Å; W79-V333 HydrophobicContact CZ2-CG2 3.73Å; W79-V333 HydrophobicContact CZ3-CG2 3.95Å; V82-V333 HydrophobicContact CG1-CG1 4.48Å; V82-V333 HydrophobicContact CG1-CG2 4.37Å; V82-V333 HydrophobicContact CG2-CG1 3.92Å; V82-V333 HydrophobicContact CG2-CG2 3.84Å; W309-V333 HydrophobicContact CH2-CG1 3.23Å; W309-V333 HydrophobicContact CZ2-CG1 4.15Å; W309-V333 HydrophobicContact CZ3-CG1 3.51Å; I318-V333 HydrophobicContact CD1-CG1 4.46Å; I318-V333 HydrophobicContact CG1-CG1 3.9Å; L321-V333 HydrophobicContact CD1-CG2 4.32Å; D329-V333 VanDerWaalsContact O-CB 3.25Å; D329-V333 WeakPolarHBondContact O-CB 3.4Å; D329-V333 WeakPolarHBondContact O-CG2 3.2Å; D329-V333 PolarHBondContact O-N 2.87Å; V333-L336 PolarHBondContact O-N 2.84Å; V333-A337 WeakPolarHBondContact O-CB 3.4Å; V333-A337 PolarHBondContact O-N 2.98Å
334	A	98	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-43.7	176.3	0	0	0	0	0	112.9	I318 S330 V331 H332 L336 A337 H338 L366 L368 L371	I318-A334 HydrophobicContact CD1-CB 4.03Å; I318-A334 HydrophobicContact CG1-CB 4.44Å; I318-A334 HydrophobicContact CG2-CB 3.79Å; S330-A334 VanDerWaalsContact O-CB 3.25Å; S330-A334 WeakPolarHBondContact O-CB 3.36Å; S330-A334 PolarHBondContact O-N 2.92Å; V331-A334 WeakPolarHBondContact O-CB 3.38Å; V331-A334 PolarHBondContact O-N 3.14Å; H332-A334 VanDerWaalsContact C-N 3.35Å; A334-L336 VanDerWaalsContact C-N 3.35Å; A334-A337 PolarHBondContact O-N 3.41Å; A334-H338 VanDerWaalsContact O-CB 3.25Å; A334-H338 WeakPolarHBondContact O-CB 3.33Å; A334-H338 PolarHBondContact O-N 3.35Å; A334-L366 HydrophobicContact CB-CD2 4.04Å; A334-L368 HydrophobicContact CB-CD1 3.75Å; A334-L371 HydrophobicContact CB-CD2 3.65Å
335	V	96.8	Very high	94.9	Very high	1 Å²	1	26 Å²	26	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-61.9	-44.6	176.5	170.2	0	0	0	0	110.5	L46 L58 V331 H332 H338 K339 I372 L393	L46-V335 HydrophobicContact CD1-CG1 4.16Å; L58-V335 HydrophobicContact CD2-CG1 4.32Å; V331-V335 HydrophobicContact CG1-CG2 4.37Å; V331-V335 VanDerWaalsContact O-CG2 3.29Å; V331-V335 WeakPolarHBondContact O-CG2 3.48Å; V331-V335 PolarHBondContact O-N 2.79Å; H332-V335 PolarHBondContact O-N 2.95Å; V335-H338 PolarHBondContact O-N 3.1Å; V335-K339 HydrophobicContact CG1-CG 4.43Å; V335-K339 WeakPolarHBondContact O-CB 3.34Å; V335-K339 WeakPolarHBondContact O-CG 3.47Å; V335-K339 PolarHBondContact O-N 3.13Å; V335-I372 HydrophobicContact CG2-CD1 4.17Å; V335-L393 HydrophobicContact CB-CD1 4.32Å; V335-L393 HydrophobicContact CG1-CD1 3.77Å; V335-L393 HydrophobicContact CG2-CD1 3.5Å
336	L	96.6	Very high	94.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-51.1	176.7	-177.9	62.1	0	0	0	111.5	L58 V59 W79 V82 L86 H332 V333 A334 H338 K339 L340	L58-L336 HydrophobicContact CB-CD1 4.2Å; L58-L336 HydrophobicContact CD2-CD1 3.93Å; L58-L336 HydrophobicContact CG-CD1 3.87Å; V59-L336 HydrophobicContact CG2-CD1 3.92Å; W79-L336 HydrophobicContact CZ3-CD2 4.47Å; V82-L336 HydrophobicContact CG1-CD2 3.77Å; L86-L336 HydrophobicContact CB-CD2 4.46Å; L86-L336 HydrophobicContact CD1-CD2 4.5Å; L86-L336 HydrophobicContact CD1-CG 4.35Å; H332-L336 WeakPolarHBondContact O-CB 3.34Å; H332-L336 PolarHBondContact O-N 3.37Å; V333-L336 PolarHBondContact O-N 2.84Å; A334-L336 VanDerWaalsContact C-N 3.35Å; L336-H338 VanDerWaalsContact C-N 3.31Å; L336-H338 PolarHBondContact O-N 2.96Å; L336-K339 PolarHBondContact O-N 3.28Å; L336-L340 HydrophobicContact CD1-CD1 3.68Å; L336-L340 HydrophobicContact CD1-CG 4.12Å; L336-L340 HydrophobicContact CG-CD1 3.98Å; L336-L340 WeakPolarHBondContact O-CB 3.38Å; L336-L340 WeakPolarHBondContact O-CG 3.26Å; L336-L340 PolarHBondContact O-N 3.48Å
337	A	96.3	Very high	93.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-40.6	178.3	0	0	0	0	0	112.2	L86 I318 V333 A334 G341 Y342 L343	L86-A337 HydrophobicContact CD1-CB 3.88Å; I318-A337 HydrophobicContact CD1-CB 4.29Å; V333-A337 WeakPolarHBondContact O-CB 3.4Å; V333-A337 PolarHBondContact O-N 2.98Å; A334-A337 PolarHBondContact O-N 3.41Å; A337-G341 PolarHBondContact O-N 3.47Å; A337-G341 VanDerWaalsContact O-N 3.16Å; A337-Y342 PolarHBondContact O-N 2.89Å; A337-L343 HydrophobicContact CB-CB 4.22Å; A337-L343 PolarHBondContact O-N 3.3Å
338	H	94.5	Very high	93.2	Very high	58 Å²	58	30.4 Å²	30.4	27%	0.269	15%	0.146	S	C	.	.	H	α-helix	trans	-64.5	-50.2	176.3	177.3	63	0	0	0	111.9	A334 V335 L336 L340 G341 L343 L368	A334-H338 VanDerWaalsContact O-CB 3.25Å; A334-H338 WeakPolarHBondContact O-CB 3.33Å; A334-H338 PolarHBondContact O-N 3.35Å; V335-H338 PolarHBondContact O-N 3.1Å; L336-H338 VanDerWaalsContact C-N 3.31Å; L336-H338 PolarHBondContact O-N 2.96Å; H338-L340 VanDerWaalsContact C-N 3.28Å; H338-L340 PolarHBondContact O-N 3.1Å; H338-G341 PolarHBondContact O-N 2.97Å; H338-L343 HydrophobicContact CB-CB 4.33Å; H338-L343 HydrophobicContact CB-CD2 3.99Å; H338-L368 HydrophobicContact CB-CD2 4.1Å
339	K	92.3	Very high	92.2	Very high	74 Å²	74	30.7 Å²	30.7	32%	0.322	15%	0.148	S	C	.	.	H	α-helix	trans	-66.5	-29.3	-177.8	-69.8	-61.3	-178.2	-170.2	0	113.3	F49 L58 V335 L336 G341 L393	F49-K339 HydrophobicContact CE1-CG 4.45Å; L58-K339 HydrophobicContact CD2-CB 3.94Å; L58-K339 HydrophobicContact CD2-CG 4Å; V335-K339 HydrophobicContact CG1-CG 4.43Å; V335-K339 WeakPolarHBondContact O-CB 3.34Å; V335-K339 WeakPolarHBondContact O-CG 3.47Å; V335-K339 PolarHBondContact O-N 3.13Å; L336-K339 PolarHBondContact O-N 3.28Å; K339-G341 VanDerWaalsContact C-N 3.33Å; K339-L393 VanDerWaalsContact CE-CD2 3.44Å
340	L	93	Very high	91.5	Very high	19 Å²	19	33.8 Å²	33.8	10%	0.099	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.1	174.4	-64.6	178.2	0	0	0	113.7	V59 L86 K89 T90 L336 H338 Y342	V59-L340 HydrophobicContact CG2-CD1 3.9Å; L86-L340 HydrophobicContact CB-CD1 3.81Å; L86-L340 WeakPolarHBondContact O-CD1 3.42Å; K89-L340 HydrophobicContact CB-CD2 4.13Å; T90-L340 PolarHBondContact N-O 3.43Å; T90-L340 PolarHBondContact OG1-O 3.01Å; L336-L340 HydrophobicContact CD1-CD1 3.68Å; L336-L340 HydrophobicContact CD1-CG 4.12Å; L336-L340 HydrophobicContact CG-CD1 3.98Å; L336-L340 WeakPolarHBondContact O-CB 3.38Å; L336-L340 WeakPolarHBondContact O-CG 3.26Å; L336-L340 PolarHBondContact O-N 3.48Å; H338-L340 VanDerWaalsContact C-N 3.28Å; H338-L340 PolarHBondContact O-N 3.1Å; L340-Y342 HydrophobicContact CB-CD2 3.67Å; L340-Y342 HydrophobicContact CB-CE2 3.92Å
341	G	92.9	Very high	91.1	Very high	28 Å²	28	35.9 Å²	35.9	29%	0.289	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	23.6	174.8	0	0	0	0	0	114.9	T90 A337 H338 K339	T90-G341 WeakPolarHBondContact OG1-CA 3.34Å; T90-G341 PolarHBondContact OG1-O 3.09Å; A337-G341 PolarHBondContact O-N 3.47Å; A337-G341 VanDerWaalsContact O-N 3.16Å; H338-G341 PolarHBondContact O-N 2.97Å; K339-G341 VanDerWaalsContact C-N 3.33Å
342	Y	93.6	Very high	90.9	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.012	21%	0.211	C	C	.	.			trans	-97.1	-13	179.8	-73	-87.3	0	0	0	114.7	L86 R88 T90 R94 T99 F314 A337 L340	L86-Y342 HydrophobicContact CD2-CD1 3.95Å; L86-Y342 HydrophobicContact CD2-CD2 3.42Å; L86-Y342 VanDerWaalsContact CD2-CD2 3.42Å; L86-Y342 HydrophobicContact CD2-CE1 4.16Å; L86-Y342 HydrophobicContact CD2-CE2 3.65Å; L86-Y342 HydrophobicContact CD2-CG 3.54Å; R88-Y342 VanDerWaalsContact O-CE2 3.31Å; R88-Y342 WeakPolarHBondContact O-CE2 3.49Å; T90-Y342 HydrophobicContact CG2-CD1 3.83Å; T90-Y342 HydrophobicContact CG2-CD2 3.76Å; T90-Y342 HydrophobicContact CG2-CE1 3.6Å; T90-Y342 HydrophobicContact CG2-CE2 3.51Å; T90-Y342 HydrophobicContact CG2-CG 3.94Å; T90-Y342 VanDerWaalsContact CG2-CZ 3.44Å; R94-Y342 WeakPolarHBondContact CD-O 3.47Å; R94-Y342 WeakPolarHBondContact CG-O 3.26Å; R94-Y342 PolarHBondContact NE-O 3.39Å; T99-Y342 HydrophobicContact CG2-CD1 4.38Å; T99-Y342 HydrophobicContact CG2-CE1 4.11Å; F314-Y342 WeakPolarHBondContact CD2-O 3.34Å; F314-Y342 AromaticContact CE2-CD1 3.63Å; F314-Y342 HydrophobicContact CE2-CD1 3.63Å; F314-Y342 HydrophobicContact CE2-CG 4.1Å; F314-Y342 HydrophobicContact CZ-CD1 4.03Å; A337-Y342 PolarHBondContact O-N 2.89Å; L340-Y342 HydrophobicContact CB-CD2 3.67Å; L340-Y342 HydrophobicContact CB-CE2 3.92Å
343	L	93.9	Very high	90.7	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.079	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-96.3	126.2	-172.3	-166.6	70	0	0	0	112.3	E315 I318 A337 H338 M345 L366 L368	E315-L343 HydrophobicContact CG-CD1 3.89Å; I318-L343 HydrophobicContact CD1-CD1 3.57Å; A337-L343 HydrophobicContact CB-CB 4.22Å; A337-L343 PolarHBondContact O-N 3.3Å; H338-L343 HydrophobicContact CB-CB 4.33Å; H338-L343 HydrophobicContact CB-CD2 3.99Å; L343-M345 HydrophobicContact CD2-SD 3.64Å; L343-M345 HydrophobicContact CG-SD 4.16Å; L343-L366 HydrophobicContact CD1-CB 4.09Å; L343-L366 HydrophobicContact CD1-CD2 4.07Å; L343-L366 HydrophobicContact CD2-CB 4.4Å; L343-L366 HydrophobicContact CD2-CD2 3.87Å; L343-L366 HydrophobicContact CG-CB 4.37Å; L343-L366 HydrophobicContact CG-CD2 4.49Å; L343-L368 HydrophobicContact CD2-CD1 4.34Å
344	R	93.1	Very high	90.7	Very high	31 Å²	31	44.8 Å²	44.8	12%	0.117	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-79.8	122.7	166.6	-60.3	-178.4	-164.4	87.6	-5.2	109.5	R94 D95 E315 H365 L366	R94-R344 HydrophobicContact CG-CG 4.23Å; D95-R344 IonicContact OD1-CZ 3.57Å; D95-R344 IonicContact OD1-NE 3.81Å; D95-R344 PolarHBondContact OD1-NE 3.47Å; D95-R344 IonicContact OD1-NH2 3.14Å; D95-R344 PolarHBondContact OD1-NH2 3Å; D95-R344 IonicContact OD2-NE 2.9Å; E315-R344 HydrophobicContact CG-CB 4.26Å; E315-R344 WeakPolarHBondContact OE1-CA 3.29Å; E315-R344 WeakPolarHBondContact OE1-CB 3.28Å; E315-R344 VanDerWaalsContact OE1-CG 3.31Å; E315-R344 WeakPolarHBondContact OE1-CG 3.46Å; E315-R344 PolarHBondContact OE1-N 2.94Å; E315-R344 IonicContact OE1-NH1 2.74Å; E315-R344 PolarHBondContact OE1-NH1 3.33Å; E315-R344 IonicContact OE2-NH1 3.73Å; E315-R344 PolarHBondContact OE2-NH1 3.4Å; R344-H365 WeakPolarHBondContact O-CA 3.27Å; R344-L366 PolarHBondContact O-N 3.27Å
345	M	90.6	Very high	90.5	Very high	49 Å²	49	46.9 Å²	46.9	24%	0.241	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-96.7	139	-176	-62.2	-69.9	-66.4	0	0	110.5	L343 H365 L366 L368 I397	L343-M345 HydrophobicContact CD2-SD 3.64Å; L343-M345 HydrophobicContact CG-SD 4.16Å; M345-H365 PolarHBondContact O-CD2 3.4Å; M345-L366 WeakPolarHBondContact CA-O 3.19Å; M345-L368 HydrophobicContact CE-CB 3.2Å; M345-L368 HydrophobicContact CE-CD2 3.71Å; M345-L368 HydrophobicContact CE-CG 4.09Å; M345-L368 HydrophobicContact SD-CB 3.73Å; M345-L368 HydrophobicContact SD-CD2 4.07Å; M345-L368 HydrophobicContact SD-CG 4.5Å; M345-I397 HydrophobicContact CE-CD1 4Å
346	S	88.3	Confident	90.4	Very high	18 Å²	18	50.5 Å²	50.5	13%	0.126	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-61.7	143.5	166.6	161	0	0	0	0	110	K348 D351 L366	S346-K348 PolarHBondContact OG-N 3.12Å; S346-K348 VanDerWaalsContact OG-N 3.13Å; S346-K348 PolarHBondContact OG-O 3.45Å; S346-K348 VanDerWaalsContact OG-O 3.05Å; S346-D351 PolarHBondContact OG-OD2 2.95Å; S346-L366 PolarHBondContact N-O 3.5Å
347	K	76.4	Confident	90.2	Very high	197 Å²	197	52.8 Å²	52.8	86%	0.857	27%	0.268	S	S	*	.	S	Bend	trans	-77.4	-25.2	177.5	-63.8	-179.5	-179.1	176.3	0	112.9
348	K	77.8	Confident	90	Very high	134 Å²	134	62 Å²	62	58%	0.583	31%	0.311	S	S	*	.			trans	-119.9	121.4	-174.6	-63.7	176.4	-177.9	176.1	0	109.3	S346 T350 D351	S346-K348 PolarHBondContact OG-N 3.12Å; S346-K348 VanDerWaalsContact OG-N 3.13Å; S346-K348 PolarHBondContact OG-O 3.45Å; S346-K348 VanDerWaalsContact OG-O 3.05Å; K348-T350 PolarHBondContact O-N 3.49Å; K348-D351 WeakPolarHBondContact CB-OD1 3.32Å; K348-D351 WeakPolarHBondContact O-CB 3.5Å; K348-D351 PolarHBondContact O-N 2.65Å
349	S	75.3	Confident	89.8	Confident	14 Å²	14	66.5 Å²	66.5	10%	0.098	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.2	176.8	47.4	0	0	0	0	114.4	L2 N367 T398 T399 P400	L2-S349 VanDerWaalsContact CD1-O 3.31Å; L2-S349 WeakPolarHBondContact CD1-O 3.32Å; S349-N367 PolarHBondContact O-ND2 2.92Å; S349-T398 PolarHBondContact OG-O 2.83Å; S349-T399 VanDerWaalsContact OG-CA 3.26Å; S349-T399 WeakPolarHBondContact OG-CA 3.17Å; S349-P400 WeakPolarHBondContact OG-CD 3.25Å
350	T	81.4	Confident	89.8	Confident	67 Å²	67	63.8 Å²	63.8	41%	0.411	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.5	173.3	43.5	0	0	0	0	115.4	K348 P400	K348-T350 PolarHBondContact O-N 3.49Å; T350-P400 HydrophobicContact CG2-CG 3.39Å
351	D	88.5	Confident	89.6	Confident	44 Å²	44	65.8 Å²	65.8	24%	0.235	34%	0.341	C	S	.	.	S	Bend	trans	-61.3	165	-178.7	-69.8	-9.1	0	0	0	111.6	S346 K348 V355 N367 R370	S346-D351 PolarHBondContact OG-OD2 2.95Å; K348-D351 WeakPolarHBondContact CB-OD1 3.32Å; K348-D351 WeakPolarHBondContact O-CB 3.5Å; K348-D351 PolarHBondContact O-N 2.65Å; D351-V355 HydrophobicContact CB-CG2 3.61Å; D351-N367 PolarHBondContact O-ND2 3.24Å; D351-R370 WeakPolarHBondContact O-CD 3.19Å; D351-R370 PolarHBondContact O-NH1 3.49Å
352	E	93.4	Very high	89.5	Confident	147 Å²	147	64.8 Å²	64.8	69%	0.687	33%	0.33	S	S	*	.			trans	-60	166.3	167.9	-65.2	-175.2	174.2	0	0	111	L354 N367	E352-L354 VanDerWaalsContact C-N 3.26Å; E352-L354 PolarHBondContact O-N 3.11Å; E352-N367 VanDerWaalsContact O-CB 3.23Å; E352-N367 WeakPolarHBondContact O-CB 3.42Å
353	M	94.7	Very high	89.4	Confident	18 Å²	18	67.8 Å²	67.8	9%	0.089	34%	0.343	C	S	.	.	S	Bend	trans	-63.1	-38.2	-176.9	-172.3	174.9	-63.2	0	0	111.6	Y319 H322 L366 N367 L371	Y319-M353 HydrophobicContact CD2-CB 4.08Å; Y319-M353 HydrophobicContact CD2-CG 3.98Å; Y319-M353 HydrophobicContact CD2-SD 3.96Å; Y319-M353 HydrophobicContact CE2-CB 3.96Å; Y319-M353 HydrophobicContact CE2-CG 4.3Å; Y319-M353 HydrophobicContact CE2-SD 4.23Å; H322-M353 HydrophobicContact CB-SD 4.1Å; H322-M353 PolarHBondContact CD2-SD 3.2Å; H322-M353 VanDerWaalsContact CG-SD 3.55Å; H322-M353 VanDerWaalsContact NE2-CE 3.32Å; H322-M353 WeakPolarHBondContact NE2-CE 3.5Å; M353-L366 HydrophobicContact CG-CD1 4.39Å; M353-L366 WeakPolarHBondContact O-CD1 3.34Å; M353-N367 PolarHBondContact O-N 3.37Å; M353-L371 HydrophobicContact CE-CB 4.49Å; M353-L371 HydrophobicContact CE-CD1 4.16Å; M353-L371 HydrophobicContact CG-CB 4.49Å; M353-L371 HydrophobicContact SD-CB 4.32Å; M353-L371 HydrophobicContact SD-CD1 3.74Å
354	L	96.4	Very high	89.5	Confident	24 Å²	24	67.2 Å²	67.2	13%	0.126	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.8	173.5	-173.6	74.2	0	0	0	108.9	E315 R316 Y319 E352 C364	E315-L354 HydrophobicContact CB-CD1 3.85Å; E315-L354 WeakPolarHBondContact O-CD1 3.4Å; R316-L354 HydrophobicContact CG-CD2 3.9Å; Y319-L354 HydrophobicContact CD1-CB 4.19Å; Y319-L354 HydrophobicContact CD1-CD2 3.77Å; Y319-L354 HydrophobicContact CD2-CB 3.8Å; Y319-L354 HydrophobicContact CE1-CD2 4.45Å; Y319-L354 HydrophobicContact CE2-CB 4.25Å; Y319-L354 HydrophobicContact CG-CB 3.76Å; Y319-L354 HydrophobicContact CG-CD2 3.97Å; Y319-L354 HydrophobicContact CG-CG 4.33Å; E352-L354 VanDerWaalsContact C-N 3.26Å; E352-L354 PolarHBondContact O-N 3.11Å; L354-C364 HydrophobicContact CD1-CB 3.66Å; L354-C364 HydrophobicContact CG-CB 4.27Å
355	V	95.6	Very high	89.6	Confident	44 Å²	44	68 Å²	68	27%	0.267	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	114.5	176.2	-177.3	0	0	0	0	109	D351 C364 H365	D351-V355 HydrophobicContact CB-CG2 3.61Å; V355-C364 CarbonylContact O-C 3.44Å; V355-C364 VanDerWaalsContact O-CA 3.26Å; V355-C364 WeakPolarHBondContact O-CA 3.41Å; V355-H365 HydrophobicContact CB-CB 4.44Å; V355-H365 PolarHBondContact N-O 2.95Å; V355-H365 PolarHBondContact O-N 2.96Å
356	V	94.6	Very high	89.9	Confident	76 Å²	76	65.7 Å²	65.7	46%	0.461	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.4	173.7	-173.3	0	0	0	0	109.3
357	D	92.4	Very high	90.2	Very high	48 Å²	48	65.1 Å²	65.1	26%	0.257	33%	0.329	S	S	.	.			trans	-66.7	133.8	176.5	-168.6	-72	0	0	0	110.6	N359 D360 K363 H365	D357-N359 VanDerWaalsContact C-N 3.27Å; D357-N359 PolarHBondContact O-N 3.06Å; D357-N359 WeakPolarHBondContact OD1-CA 3.44Å; D357-N359 WeakPolarHBondContact OD1-CB 3.48Å; D357-N359 PolarHBondContact OD1-N 3.16Å; D357-D360 HydrophobicContact CB-CB 4.46Å; D357-D360 WeakPolarHBondContact CB-O 3.44Å; D357-D360 CarbonylContact O-C 3.53Å; D357-D360 PolarHBondContact O-N 3Å; D357-D360 PolarHBondContact OD1-N 3.01Å; D357-K363 HydrophobicContact CB-CB 3.92Å; D357-K363 WeakPolarHBondContact CB-O 3.49Å; D357-K363 PolarHBondContact N-O 3.31Å; D357-H365 IonicContact OD2-CE1 3.2Å
358	Q	90.6	Very high	91	Very high	193 Å²	193	55.9 Å²	55.9	90%	0.902	29%	0.289	S	S	*	.	S	Bend	trans	-68	-27.9	-176.2	-66	-179.7	-0.6	0	0	112.9
359	N	91.9	Very high	91.7	Very high	154 Å²	154	49.8 Å²	49.8	82%	0.824	26%	0.264	S	S	*	.	S	Bend	trans	-95.9	-14	-178.7	-58.3	-56.2	0	0	0	112.2	D357	D357-N359 VanDerWaalsContact C-N 3.27Å; D357-N359 PolarHBondContact O-N 3.06Å; D357-N359 WeakPolarHBondContact OD1-CA 3.44Å; D357-N359 WeakPolarHBondContact OD1-CB 3.48Å; D357-N359 PolarHBondContact OD1-N 3.16Å
360	D	90.5	Very high	92.6	Very high	17 Å²	17	53 Å²	53	9%	0.091	27%	0.274	C	S	.	.			trans	-149	96.2	-175.6	-167.1	-9.1	0	0	0	111.8	K278 D357 T362 K363	K278-D360 WeakPolarHBondContact CE-OD1 3.23Å; K278-D360 VanDerWaalsContact CE-OD2 3.29Å; K278-D360 WeakPolarHBondContact CE-OD2 3.3Å; K278-D360 IonicContact NZ-OD1 3.69Å; K278-D360 PolarHBondContact NZ-OD1 3.31Å; K278-D360 VanDerWaalsContact NZ-OD1 3.15Å; K278-D360 IonicContact NZ-OD2 3.15Å; K278-D360 PolarHBondContact NZ-OD2 3.09Å; D357-D360 HydrophobicContact CB-CB 4.46Å; D357-D360 WeakPolarHBondContact CB-O 3.44Å; D357-D360 CarbonylContact O-C 3.53Å; D357-D360 PolarHBondContact O-N 3Å; D357-D360 PolarHBondContact OD1-N 3.01Å; D360-T362 PolarHBondContact O-N 3.06Å; D360-T362 PolarHBondContact OD1-N 3.48Å; D360-T362 PolarHBondContact OD1-OG1 3.44Å; D360-K363 HydrophobicContact CB-CB 4.2Å; D360-K363 HydrophobicContact CB-CD 4.15Å; D360-K363 HydrophobicContact CB-CG 4.13Å; D360-K363 PolarHBondContact O-N 2.93Å; D360-K363 WeakPolarHBondContact OD2-CD 3.29Å; D360-K363 WeakPolarHBondContact OD2-CE 3.44Å
361	S	90.6	Very high	93.3	Very high	60 Å²	60	49.9 Å²	49.9	42%	0.42	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-14	-179	58	0	0	0	0	114.7
362	T	90.4	Very high	93.6	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.043	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-16.2	174.4	68	0	0	0	0	113	K278 Q281 K282 D360	K278-T362 HydrophobicContact CG-CG2 4.4Å; Q281-T362 HydrophobicContact CB-CG2 4.14Å; K282-T362 HydrophobicContact CB-CG2 3.82Å; D360-T362 PolarHBondContact O-N 3.06Å; D360-T362 PolarHBondContact OD1-N 3.48Å; D360-T362 PolarHBondContact OD1-OG1 3.44Å
363	K	91.9	Very high	93.6	Very high	67 Å²	67	41.4 Å²	41.4	29%	0.291	21%	0.214	S	C	.	.			trans	-99.1	126.6	179.5	-68.3	-173.5	-179.4	-166.2	0	110.2	D95 D357 D360	D95-K363 IonicContact OD2-NZ 2.69Å; D357-K363 HydrophobicContact CB-CB 3.92Å; D357-K363 WeakPolarHBondContact CB-O 3.49Å; D357-K363 PolarHBondContact N-O 3.31Å; D360-K363 HydrophobicContact CB-CB 4.2Å; D360-K363 HydrophobicContact CB-CD 4.15Å; D360-K363 HydrophobicContact CB-CG 4.13Å; D360-K363 PolarHBondContact O-N 2.93Å; D360-K363 WeakPolarHBondContact OD2-CD 3.29Å; D360-K363 WeakPolarHBondContact OD2-CE 3.44Å
364	C	94.8	Very high	93.5	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.02	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.2	174.9	-65.3	0	0	0	0	110.1	E315 L354 V355	E315-C364 HydrophobicContact CB-CB 3.89Å; E315-C364 WeakPolarHBondContact CG-O 3.28Å; L354-C364 HydrophobicContact CD1-CB 3.66Å; L354-C364 HydrophobicContact CG-CB 4.27Å; V355-C364 CarbonylContact O-C 3.44Å; V355-C364 VanDerWaalsContact O-CA 3.26Å; V355-C364 WeakPolarHBondContact O-CA 3.41Å
365	H	95.4	Very high	93.4	Very high	48 Å²	48	42.2 Å²	42.2	22%	0.222	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.4	171.6	-60.4	80.8	0	0	0	108.6	R344 M345 V355 D357	R344-H365 WeakPolarHBondContact O-CA 3.27Å; M345-H365 PolarHBondContact O-CD2 3.4Å; V355-H365 HydrophobicContact CB-CB 4.44Å; V355-H365 PolarHBondContact N-O 2.95Å; V355-H365 PolarHBondContact O-N 2.96Å; D357-H365 IonicContact OD2-CE1 3.2Å
366	L	96.6	Very high	93.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.2	176.8	-167.1	78.3	0	0	0	110.2	E315 I318 A334 L343 R344 M345 S346 M353 L368 L371	E315-L366 HydrophobicContact CB-CB 4.14Å; E315-L366 HydrophobicContact CG-CB 4.07Å; I318-L366 HydrophobicContact CB-CD2 4.42Å; I318-L366 HydrophobicContact CD1-CD2 4.37Å; I318-L366 HydrophobicContact CG2-CD1 4.19Å; I318-L366 HydrophobicContact CG2-CD2 3.7Å; A334-L366 HydrophobicContact CB-CD2 4.04Å; L343-L366 HydrophobicContact CD1-CB 4.09Å; L343-L366 HydrophobicContact CD1-CD2 4.07Å; L343-L366 HydrophobicContact CD2-CB 4.4Å; L343-L366 HydrophobicContact CD2-CD2 3.87Å; L343-L366 HydrophobicContact CG-CB 4.37Å; L343-L366 HydrophobicContact CG-CD2 4.49Å; R344-L366 PolarHBondContact O-N 3.27Å; M345-L366 WeakPolarHBondContact CA-O 3.19Å; S346-L366 PolarHBondContact N-O 3.5Å; M353-L366 HydrophobicContact CG-CD1 4.39Å; M353-L366 WeakPolarHBondContact O-CD1 3.34Å; L366-L368 PolarHBondContact O-N 3.16Å; L366-L368 VanDerWaalsContact O-N 3.16Å; L366-L371 HydrophobicContact CD2-CD2 4.02Å
367	N	95	Very high	93.2	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.032	22%	0.22	C	C	.	.			trans	-84	82.8	167.3	-173.4	-14.6	0	0	0	109.6	S349 D351 E352 M353 A369 R370 L371	S349-N367 PolarHBondContact O-ND2 2.92Å; D351-N367 PolarHBondContact O-ND2 3.24Å; E352-N367 VanDerWaalsContact O-CB 3.23Å; E352-N367 WeakPolarHBondContact O-CB 3.42Å; M353-N367 PolarHBondContact O-N 3.37Å; N367-A369 PolarHBondContact O-N 3.19Å; N367-A369 PolarHBondContact OD1-N 2.89Å; N367-R370 HydrophobicContact CB-CB 4.05Å; N367-R370 VanDerWaalsContact CG-CB 3.48Å; N367-R370 PolarHBondContact O-N 3.22Å; N367-R370 VanDerWaalsContact O-N 3.12Å; N367-R370 PolarHBondContact OD1-N 2.81Å; N367-L371 PolarHBondContact O-N 2.7Å; N367-L371 VanDerWaalsContact O-N 3.08Å
368	L	93.9	Very high	93.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-57.4	-37	-179.7	-173	66.7	0	0	0	112.4	A334 H338 L343 M345 L366 R370 L371 I372 L394	A334-L368 HydrophobicContact CB-CD1 3.75Å; H338-L368 HydrophobicContact CB-CD2 4.1Å; L343-L368 HydrophobicContact CD2-CD1 4.34Å; M345-L368 HydrophobicContact CE-CB 3.2Å; M345-L368 HydrophobicContact CE-CD2 3.71Å; M345-L368 HydrophobicContact CE-CG 4.09Å; M345-L368 HydrophobicContact SD-CB 3.73Å; M345-L368 HydrophobicContact SD-CD2 4.07Å; M345-L368 HydrophobicContact SD-CG 4.5Å; L366-L368 PolarHBondContact O-N 3.16Å; L366-L368 VanDerWaalsContact O-N 3.16Å; L368-R370 VanDerWaalsContact C-N 3.33Å; L368-R370 PolarHBondContact O-N 3.16Å; L368-L371 PolarHBondContact O-N 3.18Å; L368-I372 HydrophobicContact CD1-CD1 4.05Å; L368-I372 HydrophobicContact CD1-CG1 4.26Å; L368-I372 HydrophobicContact CD2-CD1 4.32Å; L368-I372 HydrophobicContact CG-CD1 3.87Å; L368-I372 HydrophobicContact CG-CG1 4.32Å; L368-I372 WeakPolarHBondContact O-CB 3.47Å; L368-I372 WeakPolarHBondContact O-CG1 3.32Å; L368-I372 PolarHBondContact O-N 3.11Å; L368-L394 HydrophobicContact CG-CD2 4.38Å
369	A	92.6	Very high	93.1	Very high	6 Å²	6	35.8 Å²	35.8	5%	0.05	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-45.2	177.3	0	0	0	0	0	111.1	N367 V373 L394 I397 V405	N367-A369 PolarHBondContact O-N 3.19Å; N367-A369 PolarHBondContact OD1-N 2.89Å; A369-V373 VanDerWaalsContact O-CB 3.31Å; A369-V373 WeakPolarHBondContact O-CB 3.13Å; A369-V373 WeakPolarHBondContact O-CG2 3.46Å; A369-V373 PolarHBondContact O-N 3.08Å; A369-L394 HydrophobicContact CB-CD1 4.25Å; A369-L394 HydrophobicContact CB-CD2 4.1Å; A369-I397 HydrophobicContact CB-CG2 4.39Å; A369-V405 HydrophobicContact CB-CG1 4.34Å
370	R	93.1	Very high	93.1	Very high	82 Å²	82	28.9 Å²	28.9	31%	0.309	16%	0.155	S	C	.	.	H	α-helix	trans	-65.2	-41.5	176.8	-170.7	172.4	-169.5	133.8	0.8	112.4	L2 D351 N367 L368 A374	L2-R370 HydrophobicContact CD1-CB 4Å; L2-R370 HydrophobicContact CD1-CG 3.76Å; L2-R370 HydrophobicContact CD2-CG 3.94Å; D351-R370 WeakPolarHBondContact O-CD 3.19Å; D351-R370 PolarHBondContact O-NH1 3.49Å; N367-R370 HydrophobicContact CB-CB 4.05Å; N367-R370 VanDerWaalsContact CG-CB 3.48Å; N367-R370 PolarHBondContact O-N 3.22Å; N367-R370 VanDerWaalsContact O-N 3.12Å; N367-R370 PolarHBondContact OD1-N 2.81Å; L368-R370 VanDerWaalsContact C-N 3.33Å; L368-R370 PolarHBondContact O-N 3.16Å; R370-A374 WeakPolarHBondContact O-CB 3.46Å; R370-A374 PolarHBondContact O-N 2.7Å
371	L	96	Very high	93	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-49.1	176.8	178.8	63.1	0	0	0	111.4	I318 H322 V331 A334 M353 L366 N367 L368 A374 Y375	I318-L371 HydrophobicContact CG2-CD2 3.85Å; H322-L371 HydrophobicContact CB-CD1 4.39Å; V331-L371 HydrophobicContact CG2-CD1 4.05Å; V331-L371 HydrophobicContact CG2-CD2 4.41Å; V331-L371 HydrophobicContact CG2-CG 3.91Å; A334-L371 HydrophobicContact CB-CD2 3.65Å; M353-L371 HydrophobicContact CE-CB 4.49Å; M353-L371 HydrophobicContact CE-CD1 4.16Å; M353-L371 HydrophobicContact CG-CB 4.49Å; M353-L371 HydrophobicContact SD-CB 4.32Å; M353-L371 HydrophobicContact SD-CD1 3.74Å; L366-L371 HydrophobicContact CD2-CD2 4.02Å; N367-L371 PolarHBondContact O-N 2.7Å; N367-L371 VanDerWaalsContact O-N 3.08Å; L368-L371 PolarHBondContact O-N 3.18Å; L371-A374 PolarHBondContact O-N 2.68Å; L371-Y375 WeakPolarHBondContact O-CB 3.34Å; L371-Y375 PolarHBondContact O-N 2.71Å
372	I	95.8	Very high	92.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.2	-42.4	-179.5	-72.7	-177.3	0	0	0	111.8	V331 V335 L368 A374 Y375 T376 L393 L394	V331-I372 HydrophobicContact CG1-CG1 4.36Å; V335-I372 HydrophobicContact CG2-CD1 4.17Å; L368-I372 HydrophobicContact CD1-CD1 4.05Å; L368-I372 HydrophobicContact CD1-CG1 4.26Å; L368-I372 HydrophobicContact CD2-CD1 4.32Å; L368-I372 HydrophobicContact CG-CD1 3.87Å; L368-I372 HydrophobicContact CG-CG1 4.32Å; L368-I372 WeakPolarHBondContact O-CB 3.47Å; L368-I372 WeakPolarHBondContact O-CG1 3.32Å; L368-I372 PolarHBondContact O-N 3.11Å; I372-A374 VanDerWaalsContact C-N 3.35Å; I372-Y375 PolarHBondContact O-N 3.04Å; I372-T376 HydrophobicContact CG2-CG2 4.3Å; I372-T376 WeakPolarHBondContact O-CB 3.33Å; I372-T376 WeakPolarHBondContact O-CG2 3.4Å; I372-T376 PolarHBondContact O-N 3.36Å; I372-T376 PolarHBondContact O-OG1 3.26Å; I372-L393 HydrophobicContact CD1-CB 4.19Å; I372-L393 HydrophobicContact CD1-CD1 4.11Å; I372-L394 HydrophobicContact CB-CD1 4.12Å; I372-L394 HydrophobicContact CB-CD2 4.22Å; I372-L394 HydrophobicContact CB-CG 4.45Å; I372-L394 HydrophobicContact CD1-CD2 3.8Å; I372-L394 HydrophobicContact CD1-CG 4.38Å; I372-L394 HydrophobicContact CG1-CD2 4.45Å; I372-L394 HydrophobicContact CG2-CD1 3.85Å; I372-L394 HydrophobicContact CG2-CD2 4.49Å; I372-L394 HydrophobicContact CG2-CG 4.21Å
373	V	92.6	Very high	92.9	Very high	13 Å²	13	32.3 Å²	32.3	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-40.4	176.4	170.4	0	0	0	0	110.9	L3 A369 Y375 T376 K377 L394	L3-V373 HydrophobicContact CD2-CG1 4.09Å; L3-V373 HydrophobicContact CD2-CG2 4.5Å; A369-V373 VanDerWaalsContact O-CB 3.31Å; A369-V373 WeakPolarHBondContact O-CB 3.13Å; A369-V373 WeakPolarHBondContact O-CG2 3.46Å; A369-V373 PolarHBondContact O-N 3.08Å; V373-Y375 VanDerWaalsContact C-N 3.31Å; V373-Y375 PolarHBondContact O-N 2.85Å; V373-T376 WeakPolarHBondContact CA-OG1 3.39Å; V373-T376 PolarHBondContact O-OG1 3.28Å; V373-K377 PolarHBondContact O-N 3.07Å; V373-L394 HydrophobicContact CG2-CD1 4.19Å
374	A	92.8	Very high	93	Very high	49 Å²	49	29.2 Å²	29.2	41%	0.405	16%	0.157	S	C	.	.	H	α-helix	trans	-63.8	-38.3	175.8	0	0	0	0	0	112.2	R370 L371 I372	R370-A374 WeakPolarHBondContact O-CB 3.46Å; R370-A374 PolarHBondContact O-N 2.7Å; L371-A374 PolarHBondContact O-N 2.68Å; I372-A374 VanDerWaalsContact C-N 3.35Å
375	Y	95.2	Very high	92.9	Very high	11 Å²	11	30.2 Å²	30.2	4%	0.043	16%	0.164	C	C	.	.	H	α-helix	trans	-68.1	-50.9	177.5	178.6	-116	0	0	0	112.7	E39 R327 V328 V331 L371 I372 V373 K377 S378 F379 Y390	E39-Y375 VanDerWaalsContact CG-OH 3.24Å; E39-Y375 WeakPolarHBondContact CG-OH 3.33Å; E39-Y375 WeakPolarHBondContact OE2-CE2 3.37Å; E39-Y375 PolarHBondContact OE2-OH 3.35Å; R327-Y375 HydrophobicContact CB-CD2 4.38Å; V328-Y375 HydrophobicContact CG2-CE2 4.16Å; V331-Y375 HydrophobicContact CB-CD1 4.21Å; V331-Y375 HydrophobicContact CB-CG 4.2Å; V331-Y375 HydrophobicContact CG1-CD1 3.82Å; V331-Y375 HydrophobicContact CG1-CE1 4.22Å; V331-Y375 HydrophobicContact CG1-CG 4.24Å; V331-Y375 VanDerWaalsContact CG2-CB 3.47Å; V331-Y375 HydrophobicContact CG2-CD1 3.96Å; V331-Y375 HydrophobicContact CG2-CD2 3.87Å; V331-Y375 HydrophobicContact CG2-CG 3.48Å; V331-Y375 VanDerWaalsContact CG2-CG 3.48Å; L371-Y375 WeakPolarHBondContact O-CB 3.34Å; L371-Y375 PolarHBondContact O-N 2.71Å; I372-Y375 PolarHBondContact O-N 3.04Å; V373-Y375 VanDerWaalsContact C-N 3.31Å; V373-Y375 PolarHBondContact O-N 2.85Å; Y375-K377 PolarHBondContact O-N 3.35Å; Y375-S378 PolarHBondContact O-OG 3.22Å; Y375-F379 HydrophobicContact CD1-CE1 4.09Å; Y375-F379 HydrophobicContact CD1-CZ 4.15Å; Y375-F379 AromaticContact CE1-CE1 3.79Å; Y375-F379 HydrophobicContact CE1-CE1 3.79Å; Y375-F379 AromaticContact CE1-CZ 3.88Å; Y375-F379 HydrophobicContact CE1-CZ 3.88Å; Y375-Y390 HydrophobicContact CD1-CD1 4.2Å; Y375-Y390 HydrophobicContact CD1-CE1 4.06Å; Y375-Y390 HydrophobicContact CE1-CD1 4.22Å; Y375-Y390 AromaticContact CE1-CE1 3.65Å; Y375-Y390 HydrophobicContact CE1-CE1 3.65Å; Y375-Y390 AromaticContact CE1-CE2 3.99Å; Y375-Y390 HydrophobicContact CE1-CE2 3.99Å; Y375-Y390 AromaticContact CE1-CZ 3.55Å
376	T	94.9	Very high	92.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-21.8	-177.9	48.9	0	0	0	0	113.5	I372 V373 S378 F379 E380 Y390 W391	I372-T376 HydrophobicContact CG2-CG2 4.3Å; I372-T376 WeakPolarHBondContact O-CB 3.33Å; I372-T376 WeakPolarHBondContact O-CG2 3.4Å; I372-T376 PolarHBondContact O-N 3.36Å; I372-T376 PolarHBondContact O-OG1 3.26Å; V373-T376 WeakPolarHBondContact CA-OG1 3.39Å; V373-T376 PolarHBondContact O-OG1 3.28Å; T376-S378 PolarHBondContact O-N 3.22Å; T376-S378 VanDerWaalsContact O-N 3.08Å; T376-F379 HydrophobicContact CG2-CE2 4.07Å; T376-F379 HydrophobicContact CG2-CZ 3.8Å; T376-F379 PolarHBondContact O-N 2.89Å; T376-E380 WeakPolarHBondContact O-CB 3.39Å; T376-E380 PolarHBondContact O-N 3.29Å; T376-Y390 HydrophobicContact CG2-CD2 4.11Å; T376-Y390 HydrophobicContact CG2-CG 3.95Å; T376-W391 PolarHBondContact OG1-NE1 3.43Å
377	K	91.3	Very high	92.7	Very high	141 Å²	141	28.7 Å²	28.7	61%	0.613	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.1	-179.4	-169.9	166.8	-177.7	174.4	0	114.6	V373 Y375 F379	V373-K377 PolarHBondContact O-N 3.07Å; Y375-K377 PolarHBondContact O-N 3.35Å; K377-F379 VanDerWaalsContact C-N 3.32Å
378	S	88.8	Confident	92.8	Very high	83 Å²	83	28.4 Å²	28.4	58%	0.58	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-24.1	177.2	49.6	0	0	0	0	113.6	Y375 T376	Y375-S378 PolarHBondContact O-OG 3.22Å; T376-S378 PolarHBondContact O-N 3.22Å; T376-S378 VanDerWaalsContact O-N 3.08Å
379	F	90.4	Very high	92.9	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-0.9	-174.2	58.9	-97.8	0	0	0	114.7	I34 E39 Y375 T376 K377 L381 V382 D383 R386 S387 Y390	I34-F379 HydrophobicContact CD1-CB 4.09Å; E39-F379 VanDerWaalsContact OE1-CD1 3.29Å; E39-F379 WeakPolarHBondContact OE1-CD1 3.25Å; Y375-F379 HydrophobicContact CD1-CE1 4.09Å; Y375-F379 HydrophobicContact CD1-CZ 4.15Å; Y375-F379 AromaticContact CE1-CE1 3.79Å; Y375-F379 HydrophobicContact CE1-CE1 3.79Å; Y375-F379 AromaticContact CE1-CZ 3.88Å; Y375-F379 HydrophobicContact CE1-CZ 3.88Å; T376-F379 HydrophobicContact CG2-CE2 4.07Å; T376-F379 HydrophobicContact CG2-CZ 3.8Å; T376-F379 PolarHBondContact O-N 2.89Å; K377-F379 VanDerWaalsContact C-N 3.32Å; F379-L381 PolarHBondContact O-N 3.46Å; F379-V382 PolarHBondContact O-N 2.84Å; F379-D383 HydrophobicContact CD2-CB 4.46Å; F379-D383 PolarHBondContact O-N 2.74Å; F379-R386 HydrophobicContact CD2-CG 4.47Å; F379-R386 HydrophobicContact CE2-CB 4.22Å; F379-R386 HydrophobicContact CE2-CG 3.84Å; F379-R386 HydrophobicContact CZ-CG 4.36Å; F379-S387 WeakPolarHBondContact CD2-OG 3.26Å; F379-S387 VanDerWaalsContact CE2-OG 3.24Å; F379-S387 WeakPolarHBondContact CE2-OG 3.31Å; F379-Y390 HydrophobicContact CE2-CD2 4.2Å; F379-Y390 HydrophobicContact CE2-CE2 4.38Å; F379-Y390 AromaticContact CZ-CD2 3.89Å; F379-Y390 HydrophobicContact CZ-CD2 3.89Å; F379-Y390 AromaticContact CZ-CE2 3.88Å; F379-Y390 HydrophobicContact CZ-CE2 3.88Å
380	E	91.6	Very high	93.1	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.037	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.5	-176.5	65.2	-178.6	-177.3	0	0	115.9	T376 S387 W391 R412	T376-E380 WeakPolarHBondContact O-CB 3.39Å; T376-E380 PolarHBondContact O-N 3.29Å; E380-S387 VanDerWaalsContact CA-OG 3.26Å; E380-S387 WeakPolarHBondContact CA-OG 3.35Å; E380-W391 HydrophobicContact CB-CH2 3.91Å; E380-W391 HydrophobicContact CB-CZ2 3.59Å; E380-R412 IonicContact OE1-CZ 2.66Å; E380-R412 IonicContact OE1-NH1 3.82Å; E380-R412 PolarHBondContact OE1-NH1 3.06Å; E380-R412 IonicContact OE1-NH2 3.57Å; E380-R412 PolarHBondContact OE1-NH2 3.05Å; E380-R412 IonicContact OE2-CZ 3.49Å; E380-R412 IonicContact OE2-NH1 3.8Å; E380-R412 PolarHBondContact OE2-NH1 3.03Å; E380-R412 IonicContact OE2-NH2 3.14Å
381	L	89.4	Confident	93.3	Very high	84 Å²	84	24.6 Å²	24.6	44%	0.44	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-10.3	176.9	-55.4	-176.1	0	0	0	113.1	F379 L416 T417	F379-L381 PolarHBondContact O-N 3.46Å; L381-L416 HydrophobicContact CD2-CB 3.55Å; L381-L416 HydrophobicContact CD2-CD1 3.98Å; L381-L416 HydrophobicContact CD2-CG 4.4Å; L381-T417 HydrophobicContact CD2-CG2 4.07Å
382	V	88.1	Confident	93.2	Very high	65 Å²	65	27 Å²	27	39%	0.394	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-33.7	-169	179.6	0	0	0	0	111.6	N31 N33 F379	N31-V382 WeakPolarHBondContact ND2-CG1 3.25Å; N31-V382 PolarHBondContact ND2-O 3.44Å; N33-V382 HydrophobicContact CB-CG1 4.13Å; F379-V382 PolarHBondContact O-N 2.84Å
383	D	90.9	Very high	93.1	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.037	15%	0.152	C	C	.	.			trans	-137.3	69.9	-178.1	-165	-21.4	0	0	0	109.9	I34 F379 P385 R386 S387	I34-D383 HydrophobicContact CD1-CB 3.85Å; F379-D383 HydrophobicContact CD2-CB 4.46Å; F379-D383 PolarHBondContact O-N 2.74Å; D383-P385 VanDerWaalsContact C-CD 3.48Å; D383-R386 HydrophobicContact CB-CB 4.32Å; D383-R386 PolarHBondContact O-N 3.19Å; D383-R386 VanDerWaalsContact OD1-CB 3.32Å; D383-R386 WeakPolarHBondContact OD1-CB 3.48Å; D383-R386 PolarHBondContact OD1-N 3.42Å; D383-R386 VanDerWaalsContact OD1-N 3.13Å; D383-R386 IonicContact OD2-CZ 3.91Å; D383-R386 IonicContact OD2-NE 2.66Å; D383-R386 IonicContact OD2-NH1 2.72Å; D383-R386 IonicContact OD2-NH2 2.97Å; D383-R386 PolarHBondContact OD2-NH2 3.05Å; D383-S387 PolarHBondContact O-N 3.29Å; D383-S387 PolarHBondContact O-OG 3.03Å
384	V	93.3	Very high	93.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-56.7	-43.6	177.9	-177.4	0	0	0	0	112.3	R386 S387 L388 T417 I423 L437	V384-R386 VanDerWaalsContact C-N 3.32Å; V384-R386 PolarHBondContact O-N 2.9Å; V384-S387 PolarHBondContact O-N 3.12Å; V384-S387 VanDerWaalsContact O-N 3.11Å; V384-L388 HydrophobicContact CG1-CD1 4.2Å; V384-L388 HydrophobicContact CG1-CG 4.29Å; V384-L388 WeakPolarHBondContact O-CG 3.34Å; V384-L388 PolarHBondContact O-N 2.72Å; V384-T417 HydrophobicContact CG2-CG2 3.96Å; V384-I423 HydrophobicContact CG1-CD1 3.81Å; V384-I423 HydrophobicContact CG1-CG1 3.83Å; V384-L437 HydrophobicContact CG1-CD1 4.48Å
385	P	93.6	Very high	93	Very high	24 Å²	24	30 Å²	30	16%	0.156	15%	0.153	C	C	.	.	H	α-helix	trans	-54.4	-46.4	177	-26.1	34.8	0	0	0	112.7	F29 D383 L388 D389 L437 Y441	F29-P385 HydrophobicContact CE1-CG 4.33Å; D383-P385 VanDerWaalsContact C-CD 3.48Å; P385-L388 WeakPolarHBondContact O-CB 3.45Å; P385-L388 PolarHBondContact O-N 3.4Å; P385-D389 PolarHBondContact O-N 2.87Å; P385-L437 HydrophobicContact CG-CD1 3.92Å; P385-L437 HydrophobicContact CG-CD2 4.29Å; P385-Y441 PolarHBondContact O-OH 2.83Å
386	R	92.9	Very high	92.6	Very high	16 Å²	16	32.3 Å²	32.3	6%	0.06	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-42.4	175.9	-175.7	-178.1	-55.2	145.6	21	111.9	E39 F379 D383 V384 L388 D389 Y390	E39-R386 IonicContact OE1-NH1 2.64Å; F379-R386 HydrophobicContact CD2-CG 4.47Å; F379-R386 HydrophobicContact CE2-CB 4.22Å; F379-R386 HydrophobicContact CE2-CG 3.84Å; F379-R386 HydrophobicContact CZ-CG 4.36Å; D383-R386 HydrophobicContact CB-CB 4.32Å; D383-R386 PolarHBondContact O-N 3.19Å; D383-R386 VanDerWaalsContact OD1-CB 3.32Å; D383-R386 WeakPolarHBondContact OD1-CB 3.48Å; D383-R386 PolarHBondContact OD1-N 3.42Å; D383-R386 VanDerWaalsContact OD1-N 3.13Å; D383-R386 IonicContact OD2-CZ 3.91Å; D383-R386 IonicContact OD2-NE 2.66Å; D383-R386 IonicContact OD2-NH1 2.72Å; D383-R386 IonicContact OD2-NH2 2.97Å; D383-R386 PolarHBondContact OD2-NH2 3.05Å; V384-R386 VanDerWaalsContact C-N 3.32Å; V384-R386 PolarHBondContact O-N 2.9Å; R386-L388 PolarHBondContact O-N 2.88Å; R386-D389 WeakPolarHBondContact O-CB 3.45Å; R386-D389 PolarHBondContact O-N 2.91Å; R386-D389 VanDerWaalsContact O-N 3.09Å; R386-Y390 HydrophobicContact CG-CD2 4.09Å; R386-Y390 HydrophobicContact CG-CE2 3.63Å; R386-Y390 VanDerWaalsContact O-CD2 3.23Å; R386-Y390 WeakPolarHBondContact O-CD2 3.23Å; R386-Y390 PolarHBondContact O-N 3.08Å
387	S	95.6	Very high	92.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-35.7	178.4	-62.3	0	0	0	0	112.3	F379 E380 D383 V384 D389 Y390 W391	F379-S387 WeakPolarHBondContact CD2-OG 3.26Å; F379-S387 VanDerWaalsContact CE2-OG 3.24Å; F379-S387 WeakPolarHBondContact CE2-OG 3.31Å; E380-S387 VanDerWaalsContact CA-OG 3.26Å; E380-S387 WeakPolarHBondContact CA-OG 3.35Å; D383-S387 PolarHBondContact O-N 3.29Å; D383-S387 PolarHBondContact O-OG 3.03Å; V384-S387 PolarHBondContact O-N 3.12Å; V384-S387 VanDerWaalsContact O-N 3.11Å; S387-D389 VanDerWaalsContact C-N 3.34Å; S387-D389 PolarHBondContact O-N 3.07Å; S387-Y390 PolarHBondContact O-N 3.24Å; S387-W391 WeakPolarHBondContact O-CB 3.45Å; S387-W391 VanDerWaalsContact O-CD2 3.27Å; S387-W391 PolarHBondContact O-N 3.45Å
388	L	96.6	Very high	91.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-39.5	173.4	-71	169	0	0	0	112.4	V384 P385 R386 Y390 W391 F392 F406 V410 L437 I438 Y441	V384-L388 HydrophobicContact CG1-CD1 4.2Å; V384-L388 HydrophobicContact CG1-CG 4.29Å; V384-L388 WeakPolarHBondContact O-CG 3.34Å; V384-L388 PolarHBondContact O-N 2.72Å; P385-L388 WeakPolarHBondContact O-CB 3.45Å; P385-L388 PolarHBondContact O-N 3.4Å; R386-L388 PolarHBondContact O-N 2.88Å; L388-Y390 VanDerWaalsContact C-N 3.28Å; L388-Y390 PolarHBondContact O-N 3.4Å; L388-W391 HydrophobicContact CD2-CE3 4.1Å; L388-W391 HydrophobicContact CD2-CZ3 4.47Å; L388-W391 PolarHBondContact O-N 3.32Å; L388-F392 VanDerWaalsContact O-CB 3.23Å; L388-F392 WeakPolarHBondContact O-CB 3.29Å; L388-F392 PolarHBondContact O-N 3.33Å; L388-F406 HydrophobicContact CD2-CE2 4.25Å; L388-V410 HydrophobicContact CD2-CG2 3.84Å; L388-L437 HydrophobicContact CD1-CB 3.49Å; L388-L437 VanDerWaalsContact CD1-CB 3.49Å; L388-L437 HydrophobicContact CD1-CD1 4.06Å; L388-L437 HydrophobicContact CD1-CG 4.42Å; L388-I438 HydrophobicContact CD2-CG2 4.12Å; L388-Y441 HydrophobicContact CB-CE2 3.67Å; L388-Y441 HydrophobicContact CD1-CE2 4.33Å
389	D	96	Very high	91.6	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.032	16%	0.162	C	C	.	.	H	α-helix	trans	-55.4	-46.4	175.5	-71.8	-52.6	0	0	0	110.9	L46 H47 L50 P385 R386 S387 Y441	L46-D389 HydrophobicContact CD2-CB 4.46Å; H47-D389 WeakPolarHBondContact CB-OD2 3.31Å; H47-D389 IonicContact CE1-OD1 2.7Å; H47-D389 IonicContact CG-OD1 2.9Å; H47-D389 IonicContact CG-OD2 3.31Å; H47-D389 IonicContact ND1-OD1 3.54Å; H47-D389 PolarHBondContact ND1-OD1 3.19Å; H47-D389 IonicContact ND1-OD2 2.71Å; H47-D389 PolarHBondContact ND1-OD2 3.41Å; H47-D389 VanDerWaalsContact ND1-OD2 3.14Å; L50-D389 HydrophobicContact CD1-CB 3.69Å; L50-D389 VanDerWaalsContact CD1-O 3.23Å; L50-D389 WeakPolarHBondContact CD1-O 3.44Å; P385-D389 PolarHBondContact O-N 2.87Å; R386-D389 WeakPolarHBondContact O-CB 3.45Å; R386-D389 PolarHBondContact O-N 2.91Å; R386-D389 VanDerWaalsContact O-N 3.09Å; S387-D389 VanDerWaalsContact C-N 3.34Å; S387-D389 PolarHBondContact O-N 3.07Å; D389-Y441 PolarHBondContact N-OH 2.91Å; D389-Y441 VanDerWaalsContact N-OH 3.16Å; D389-Y441 PolarHBondContact OD1-OH 3.36Å
390	Y	97.1	Very high	90.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-73.7	-44	-179.8	-70.8	-81.5	0	0	0	112.7	G43 L46 V331 H332 Y375 T376 F379 R386 S387 L388 F392 L393	G43-Y390 WeakPolarHBondContact CA-OH 3.47Å; L46-Y390 HydrophobicContact CD2-CD1 3.56Å; L46-Y390 HydrophobicContact CD2-CD2 4.38Å; L46-Y390 HydrophobicContact CD2-CE1 3.35Å; L46-Y390 HydrophobicContact CD2-CE2 4.2Å; L46-Y390 HydrophobicContact CD2-CG 4.05Å; V331-Y390 HydrophobicContact CG1-CD1 4.12Å; V331-Y390 HydrophobicContact CG1-CE1 3.94Å; H332-Y390 AromaticContact CE1-CZ 3.98Å; H332-Y390 PolarHBondContact CE1-OH 3.49Å; H332-Y390 AromaticContact NE2-CE1 3.59Å; H332-Y390 AromaticContact NE2-CZ 3.56Å; H332-Y390 PolarHBondContact NE2-OH 3.49Å; Y375-Y390 HydrophobicContact CD1-CD1 4.2Å; Y375-Y390 HydrophobicContact CD1-CE1 4.06Å; Y375-Y390 HydrophobicContact CE1-CD1 4.22Å; Y375-Y390 AromaticContact CE1-CE1 3.65Å; Y375-Y390 HydrophobicContact CE1-CE1 3.65Å; Y375-Y390 AromaticContact CE1-CE2 3.99Å; Y375-Y390 HydrophobicContact CE1-CE2 3.99Å; Y375-Y390 AromaticContact CE1-CZ 3.55Å; T376-Y390 HydrophobicContact CG2-CD2 4.11Å; T376-Y390 HydrophobicContact CG2-CG 3.95Å; F379-Y390 HydrophobicContact CE2-CD2 4.2Å; F379-Y390 HydrophobicContact CE2-CE2 4.38Å; F379-Y390 AromaticContact CZ-CD2 3.89Å; F379-Y390 HydrophobicContact CZ-CD2 3.89Å; F379-Y390 AromaticContact CZ-CE2 3.88Å; F379-Y390 HydrophobicContact CZ-CE2 3.88Å; R386-Y390 HydrophobicContact CG-CD2 4.09Å; R386-Y390 HydrophobicContact CG-CE2 3.63Å; R386-Y390 VanDerWaalsContact O-CD2 3.23Å; R386-Y390 WeakPolarHBondContact O-CD2 3.23Å; R386-Y390 PolarHBondContact O-N 3.08Å; S387-Y390 PolarHBondContact O-N 3.24Å; L388-Y390 VanDerWaalsContact C-N 3.28Å; L388-Y390 PolarHBondContact O-N 3.4Å; Y390-F392 VanDerWaalsContact C-N 3.27Å; Y390-F392 PolarHBondContact O-N 3.35Å; Y390-L393 VanDerWaalsContact O-CB 3.28Å; Y390-L393 WeakPolarHBondContact O-CB 3.47Å; Y390-L393 PolarHBondContact O-N 3.43Å
391	W	95.9	Very high	90.3	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-66	-33.1	-179.6	-61.8	-27.3	0	0	0	111.8	T376 E380 S387 L388 L393 L394 F406 A409	T376-W391 PolarHBondContact OG1-NE1 3.43Å; E380-W391 HydrophobicContact CB-CH2 3.91Å; E380-W391 HydrophobicContact CB-CZ2 3.59Å; S387-W391 WeakPolarHBondContact O-CB 3.45Å; S387-W391 VanDerWaalsContact O-CD2 3.27Å; S387-W391 PolarHBondContact O-N 3.45Å; L388-W391 HydrophobicContact CD2-CE3 4.1Å; L388-W391 HydrophobicContact CD2-CZ3 4.47Å; L388-W391 PolarHBondContact O-N 3.32Å; W391-L393 PolarHBondContact O-N 3.21Å; W391-L394 WeakPolarHBondContact O-CA 3.4Å; W391-L394 VanDerWaalsContact O-CB 3.27Å; W391-L394 WeakPolarHBondContact O-CB 3.34Å; W391-L394 PolarHBondContact O-N 2.89Å; W391-F406 HydrophobicContact CB-CD2 3.77Å; W391-F406 HydrophobicContact CB-CE2 4.29Å; W391-F406 WeakPolarHBondContact O-CD2 3.44Å; W391-A409 HydrophobicContact CB-CB 4.1Å; W391-A409 HydrophobicContact CD2-CB 3.63Å; W391-A409 HydrophobicContact CE3-CB 4Å; W391-A409 HydrophobicContact CG-CB 3.69Å
392	F	95.4	Very high	90.1	Very high	51 Å²	51	36.4 Å²	36.4	22%	0.224	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-28.7	176.6	-179.7	-113.3	0	0	0	112.5	L50 L388 Y390 L394 K395 F406 Y441 L442	L50-F392 HydrophobicContact CD2-CD1 4.05Å; L50-F392 HydrophobicContact CD2-CE1 4.4Å; L388-F392 VanDerWaalsContact O-CB 3.23Å; L388-F392 WeakPolarHBondContact O-CB 3.29Å; L388-F392 PolarHBondContact O-N 3.33Å; Y390-F392 VanDerWaalsContact C-N 3.27Å; Y390-F392 PolarHBondContact O-N 3.35Å; F392-L394 PolarHBondContact O-N 3.42Å; F392-L394 VanDerWaalsContact O-N 3.16Å; F392-K395 HydrophobicContact CD2-CB 4.45Å; F392-K395 HydrophobicContact CD2-CD 4.28Å; F392-K395 HydrophobicContact CE2-CD 3.79Å; F392-K395 WeakPolarHBondContact O-CB 3.48Å; F392-K395 PolarHBondContact O-N 3.35Å; F392-K395 VanDerWaalsContact O-N 3.16Å; F392-F406 HydrophobicContact CB-CD2 4.4Å; F392-F406 HydrophobicContact CB-CE2 4.08Å; F392-F406 HydrophobicContact CD2-CE1 4.47Å; F392-F406 HydrophobicContact CD2-CE2 4.47Å; F392-F406 HydrophobicContact CD2-CZ 4.27Å; F392-Y441 HydrophobicContact CB-CD1 3.77Å; F392-Y441 HydrophobicContact CB-CE1 4.2Å; F392-Y441 HydrophobicContact CB-CG 4.29Å; F392-Y441 AromaticContact CD1-CD1 3.68Å; F392-Y441 HydrophobicContact CD1-CD1 3.68Å; F392-Y441 HydrophobicContact CD1-CG 4.44Å; F392-Y441 HydrophobicContact CD2-CD1 4.16Å; F392-Y441 HydrophobicContact CD2-CG 4.15Å; F392-Y441 HydrophobicContact CE1-CD1 4.27Å; F392-Y441 WeakPolarHBondContact CE2-O 3.44Å; F392-Y441 AromaticContact CG-CD1 3.59Å; F392-Y441 HydrophobicContact CG-CD1 3.59Å; F392-Y441 HydrophobicContact CG-CE1 4.45Å; F392-Y441 HydrophobicContact CG-CG 4.04Å; F392-Y441 WeakPolarHBondContact CZ-O 3.41Å; F392-L442 HydrophobicContact CE2-CD2 4Å
393	L	93.3	Very high	90	Very high	9 Å²	9	34.6 Å²	34.6	5%	0.047	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.6	172.8	-58	174.4	0	0	0	113.2	L46 L50 V335 K339 I372 Y390 W391	L46-L393 HydrophobicContact CD1-CD1 4.21Å; L46-L393 HydrophobicContact CD1-CD2 4.47Å; L46-L393 HydrophobicContact CD2-CD1 4.03Å; L50-L393 HydrophobicContact CD2-CD2 3.99Å; V335-L393 HydrophobicContact CB-CD1 4.32Å; V335-L393 HydrophobicContact CG1-CD1 3.77Å; V335-L393 HydrophobicContact CG2-CD1 3.5Å; K339-L393 VanDerWaalsContact CE-CD2 3.44Å; I372-L393 HydrophobicContact CD1-CB 4.19Å; I372-L393 HydrophobicContact CD1-CD1 4.11Å; Y390-L393 VanDerWaalsContact O-CB 3.28Å; Y390-L393 WeakPolarHBondContact O-CB 3.47Å; Y390-L393 PolarHBondContact O-N 3.43Å; W391-L393 PolarHBondContact O-N 3.21Å
394	L	91.4	Very high	90	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-1.3	-179.6	-53.1	-179.3	0	0	0	113.4	L368 A369 I372 V373 W391 F392 G396 I397 V405	L368-L394 HydrophobicContact CG-CD2 4.38Å; A369-L394 HydrophobicContact CB-CD1 4.25Å; A369-L394 HydrophobicContact CB-CD2 4.1Å; I372-L394 HydrophobicContact CB-CD1 4.12Å; I372-L394 HydrophobicContact CB-CD2 4.22Å; I372-L394 HydrophobicContact CB-CG 4.45Å; I372-L394 HydrophobicContact CD1-CD2 3.8Å; I372-L394 HydrophobicContact CD1-CG 4.38Å; I372-L394 HydrophobicContact CG1-CD2 4.45Å; I372-L394 HydrophobicContact CG2-CD1 3.85Å; I372-L394 HydrophobicContact CG2-CD2 4.49Å; I372-L394 HydrophobicContact CG2-CG 4.21Å; V373-L394 HydrophobicContact CG2-CD1 4.19Å; W391-L394 WeakPolarHBondContact O-CA 3.4Å; W391-L394 VanDerWaalsContact O-CB 3.27Å; W391-L394 WeakPolarHBondContact O-CB 3.34Å; W391-L394 PolarHBondContact O-N 2.89Å; F392-L394 PolarHBondContact O-N 3.42Å; F392-L394 VanDerWaalsContact O-N 3.16Å; L394-G396 PolarHBondContact O-N 2.9Å; L394-I397 HydrophobicContact CB-CD1 4.44Å; L394-I397 HydrophobicContact CD2-CD1 3.99Å; L394-I397 WeakPolarHBondContact O-CB 3.4Å; L394-I397 WeakPolarHBondContact O-CG1 3.44Å; L394-I397 PolarHBondContact O-N 3.42Å; L394-V405 HydrophobicContact CB-CB 4.37Å; L394-V405 HydrophobicContact CB-CG1 4.06Å; L394-V405 HydrophobicContact CD1-CG1 3.71Å
395	K	91	Very high	89.9	Confident	115 Å²	115	35.3 Å²	35.3	50%	0.5	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	130.8	177.5	-172.6	-177.9	-179.7	-169.6	0	110.7	F392 F406 L442	F392-K395 HydrophobicContact CD2-CB 4.45Å; F392-K395 HydrophobicContact CD2-CD 4.28Å; F392-K395 HydrophobicContact CE2-CD 3.79Å; F392-K395 WeakPolarHBondContact O-CB 3.48Å; F392-K395 PolarHBondContact O-N 3.35Å; F392-K395 VanDerWaalsContact O-N 3.16Å; K395-F406 HydrophobicContact CB-CB 4.19Å; K395-F406 HydrophobicContact CB-CD1 4.5Å; K395-F406 HydrophobicContact CB-CG 4.47Å; K395-F406 HydrophobicContact CG-CD1 4.48Å; K395-L442 HydrophobicContact CD-CD2 4Å
396	G	87.2	Confident	90	Very high	61 Å²	61	34.2 Å²	34.2	63%	0.629	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.7	-9.5	-175.5	0	0	0	0	0	114.3	L394 D404	L394-G396 PolarHBondContact O-N 2.9Å; G396-D404 WeakPolarHBondContact CA-OD2 3.45Å; G396-D404 PolarHBondContact N-OD2 3.44Å
397	I	86.6	Confident	90.1	Very high	44 Å²	44	35.6 Å²	35.6	23%	0.226	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-84.9	126.6	173.1	-58.3	178.2	0	0	0	108.3	M345 A369 L394 V405	M345-I397 HydrophobicContact CE-CD1 4Å; A369-I397 HydrophobicContact CB-CG2 4.39Å; L394-I397 HydrophobicContact CB-CD1 4.44Å; L394-I397 HydrophobicContact CD2-CD1 3.99Å; L394-I397 WeakPolarHBondContact O-CB 3.4Å; L394-I397 WeakPolarHBondContact O-CG1 3.44Å; L394-I397 PolarHBondContact O-N 3.42Å; I397-V405 HydrophobicContact CB-CG2 4.39Å; I397-V405 HydrophobicContact CG2-CG2 4.09Å; I397-V405 WeakPolarHBondContact O-CB 3.1Å; I397-V405 VanDerWaalsContact O-CG2 3.3Å; I397-V405 WeakPolarHBondContact O-CG2 3.18Å; I397-V405 PolarHBondContact O-N 3.15Å
398	T	85.9	Confident	89.9	Confident	75 Å²	75	36.8 Å²	36.8	46%	0.46	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-99.8	147.9	-177.4	54.6	0	0	0	0	113.4	S349 S403	S349-T398 PolarHBondContact OG-O 2.83Å; T398-S403 CarbonylContact C-O 3.5Å; T398-S403 VanDerWaalsContact CA-O 3.29Å; T398-S403 WeakPolarHBondContact CA-O 3.37Å
399	T	81.2	Confident	89.8	Confident	21 Å²	21	36.9 Å²	36.9	13%	0.129	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-70.9	164.2	165.5	64.8	0	0	0	0	110.2	S349 T401 G402 S403 V405 M408	S349-T399 VanDerWaalsContact OG-CA 3.26Å; S349-T399 WeakPolarHBondContact OG-CA 3.17Å; T399-T401 PolarHBondContact O-N 2.95Å; T399-T401 VanDerWaalsContact O-N 3.12Å; T399-T401 PolarHBondContact OG1-N 3.43Å; T399-T401 PolarHBondContact OG1-OG1 3.38Å; T399-G402 WeakPolarHBondContact O-CA 3.47Å; T399-G402 PolarHBondContact O-N 3.42Å; T399-S403 PolarHBondContact N-O 2.87Å; T399-S403 WeakPolarHBondContact OG1-CB 3.28Å; T399-S403 PolarHBondContact OG1-N 2.86Å; T399-S403 PolarHBondContact OG1-O 3.44Å; T399-V405 HydrophobicContact CG2-CG2 4.01Å; T399-M408 HydrophobicContact CG2-CG 4.29Å
400	P	75.9	Confident	89.8	Confident	90 Å²	90	36.6 Å²	36.6	58%	0.584	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.5	171.7	-19.9	31.5	0	0	0	113.3	S349 T350 G402	S349-P400 WeakPolarHBondContact OG-CD 3.25Å; T350-P400 HydrophobicContact CG2-CG 3.39Å; P400-G402 PolarHBondContact O-N 2.94Å
401	T	79.9	Confident	89.7	Confident	120 Å²	120	36.6 Å²	36.6	74%	0.736	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-0.7	173.7	60.2	0	0	0	0	112.8	T399 S403	T399-T401 PolarHBondContact O-N 2.95Å; T399-T401 VanDerWaalsContact O-N 3.12Å; T399-T401 PolarHBondContact OG1-N 3.43Å; T399-T401 PolarHBondContact OG1-OG1 3.38Å; T401-S403 VanDerWaalsContact C-N 3.34Å; T401-S403 PolarHBondContact OG1-OG 3.46Å
402	G	84	Confident	89.6	Confident	54 Å²	54	38.3 Å²	38.3	56%	0.557	23%	0.234	S	C	*	.	S	Bend	trans	84.8	0.5	-179.5	0	0	0	0	0	114.8	T399 P400	T399-G402 WeakPolarHBondContact O-CA 3.47Å; T399-G402 PolarHBondContact O-N 3.42Å; P400-G402 PolarHBondContact O-N 2.94Å
403	S	86.4	Confident	89.5	Confident	26 Å²	26	36 Å²	36	18%	0.182	23%	0.225	C	C	.	.			trans	-81.4	145	-178.5	-46.1	0	0	0	0	111.3	T398 T399 T401	T398-S403 CarbonylContact C-O 3.5Å; T398-S403 VanDerWaalsContact CA-O 3.29Å; T398-S403 WeakPolarHBondContact CA-O 3.37Å; T399-S403 PolarHBondContact N-O 2.87Å; T399-S403 WeakPolarHBondContact OG1-CB 3.28Å; T399-S403 PolarHBondContact OG1-N 2.86Å; T399-S403 PolarHBondContact OG1-O 3.44Å; T401-S403 VanDerWaalsContact C-N 3.34Å; T401-S403 PolarHBondContact OG1-OG 3.46Å
404	D	91.6	Very high	89.6	Confident	21 Å²	21	35.8 Å²	35.8	11%	0.112	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-69.9	134.7	176.1	-178	-81.9	0	0	0	111.5	G396 F406 E407 M408	G396-D404 WeakPolarHBondContact CA-OD2 3.45Å; G396-D404 PolarHBondContact N-OD2 3.44Å; D404-F406 PolarHBondContact O-N 3.18Å; D404-F406 WeakPolarHBondContact OD1-CA 3.46Å; D404-F406 WeakPolarHBondContact OD1-CB 3.29Å; D404-F406 PolarHBondContact OD1-N 3.11Å; D404-E407 HydrophobicContact CB-CB 4.1Å; D404-E407 HydrophobicContact CB-CG 3.79Å; D404-E407 PolarHBondContact O-N 2.99Å; D404-E407 PolarHBondContact OD1-N 3.45Å; D404-M408 VanDerWaalsContact O-CG 3.26Å; D404-M408 WeakPolarHBondContact O-CG 3.44Å; D404-M408 PolarHBondContact O-N 2.87Å
405	V	91.1	Very high	89.7	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.024	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-35.3	-176.4	171.8	0	0	0	0	112	L3 A369 L394 I397 T399 M408 A409	L3-V405 HydrophobicContact CD1-CG1 4.19Å; A369-V405 HydrophobicContact CB-CG1 4.34Å; L394-V405 HydrophobicContact CB-CB 4.37Å; L394-V405 HydrophobicContact CB-CG1 4.06Å; L394-V405 HydrophobicContact CD1-CG1 3.71Å; I397-V405 HydrophobicContact CB-CG2 4.39Å; I397-V405 HydrophobicContact CG2-CG2 4.09Å; I397-V405 WeakPolarHBondContact O-CB 3.1Å; I397-V405 VanDerWaalsContact O-CG2 3.3Å; I397-V405 WeakPolarHBondContact O-CG2 3.18Å; I397-V405 PolarHBondContact O-N 3.15Å; T399-V405 HydrophobicContact CG2-CG2 4.01Å; V405-M408 PolarHBondContact O-N 3.04Å; V405-A409 WeakPolarHBondContact O-CB 3.4Å; V405-A409 PolarHBondContact O-N 3.19Å
406	F	94.4	Very high	89.7	Confident	1 Å²	1	37.1 Å²	37.1	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-46.2	175.6	168.1	-109.7	0	0	0	110.6	L388 W391 F392 K395 D404 M408 A409 V410 L442 V448	L388-F406 HydrophobicContact CD2-CE2 4.25Å; W391-F406 HydrophobicContact CB-CD2 3.77Å; W391-F406 HydrophobicContact CB-CE2 4.29Å; W391-F406 WeakPolarHBondContact O-CD2 3.44Å; F392-F406 HydrophobicContact CB-CD2 4.4Å; F392-F406 HydrophobicContact CB-CE2 4.08Å; F392-F406 HydrophobicContact CD2-CE1 4.47Å; F392-F406 HydrophobicContact CD2-CE2 4.47Å; F392-F406 HydrophobicContact CD2-CZ 4.27Å; K395-F406 HydrophobicContact CB-CB 4.19Å; K395-F406 HydrophobicContact CB-CD1 4.5Å; K395-F406 HydrophobicContact CB-CG 4.47Å; K395-F406 HydrophobicContact CG-CD1 4.48Å; D404-F406 PolarHBondContact O-N 3.18Å; D404-F406 WeakPolarHBondContact OD1-CA 3.46Å; D404-F406 WeakPolarHBondContact OD1-CB 3.29Å; D404-F406 PolarHBondContact OD1-N 3.11Å; F406-M408 VanDerWaalsContact C-N 3.31Å; F406-M408 PolarHBondContact O-N 2.93Å; F406-A409 PolarHBondContact O-N 3.04Å; F406-A409 VanDerWaalsContact O-N 3.14Å; F406-V410 HydrophobicContact CD2-CG2 4.13Å; F406-V410 HydrophobicContact CE1-CG2 4.29Å; F406-V410 HydrophobicContact CE2-CG2 3.73Å; F406-V410 HydrophobicContact CZ-CG2 3.83Å; F406-V410 WeakPolarHBondContact O-CG2 3.2Å; F406-V410 PolarHBondContact O-N 3.36Å; F406-L442 HydrophobicContact CE1-CD1 4.05Å; F406-V448 HydrophobicContact CD1-CG2 4.45Å; F406-V448 HydrophobicContact CE1-CG2 4.1Å
407	E	94.7	Very high	90	Very high	44 Å²	44	35.9 Å²	35.9	21%	0.206	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-43.1	175.9	-64.9	176.3	-174.2	0	0	112.3	D404 A409 V410 S411 V448 R451	D404-E407 HydrophobicContact CB-CB 4.1Å; D404-E407 HydrophobicContact CB-CG 3.79Å; D404-E407 PolarHBondContact O-N 2.99Å; D404-E407 PolarHBondContact OD1-N 3.45Å; E407-A409 PolarHBondContact O-N 3.29Å; E407-V410 PolarHBondContact O-N 2.99Å; E407-S411 WeakPolarHBondContact O-CB 3.35Å; E407-S411 PolarHBondContact O-N 3.49Å; E407-V448 HydrophobicContact CG-CB 4.37Å; E407-V448 HydrophobicContact CG-CG1 4.39Å; E407-V448 HydrophobicContact CG-CG2 3.98Å; E407-R451 HydrophobicContact CB-CB 4.2Å; E407-R451 HydrophobicContact CB-CG 3.97Å
408	M	92.3	Very high	90.2	Very high	26 Å²	26	36.6 Å²	36.6	13%	0.128	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-39.1	176.1	-71.3	-58.2	-51.7	0	0	112.6	L3 T399 D404 V405 F406 R412 R451	L3-M408 HydrophobicContact CD1-CB 3.81Å; T399-M408 HydrophobicContact CG2-CG 4.29Å; D404-M408 VanDerWaalsContact O-CG 3.26Å; D404-M408 WeakPolarHBondContact O-CG 3.44Å; D404-M408 PolarHBondContact O-N 2.87Å; V405-M408 PolarHBondContact O-N 3.04Å; F406-M408 VanDerWaalsContact C-N 3.31Å; F406-M408 PolarHBondContact O-N 2.93Å; M408-R412 WeakPolarHBondContact O-CB 3.25Å; M408-R412 PolarHBondContact O-N 3.16Å; M408-R451 PolarHBondContact SD-NE 3.19Å; M408-R451 VanDerWaalsContact SD-NE 3.43Å; M408-R451 PolarHBondContact SD-NH2 2.83Å
409	A	94.4	Very high	90.5	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-42.9	177.5	0	0	0	0	0	111.4	W391 V405 F406 E407 R412 S413	W391-A409 HydrophobicContact CB-CB 4.1Å; W391-A409 HydrophobicContact CD2-CB 3.63Å; W391-A409 HydrophobicContact CE3-CB 4Å; W391-A409 HydrophobicContact CG-CB 3.69Å; V405-A409 WeakPolarHBondContact O-CB 3.4Å; V405-A409 PolarHBondContact O-N 3.19Å; F406-A409 PolarHBondContact O-N 3.04Å; F406-A409 VanDerWaalsContact O-N 3.14Å; E407-A409 PolarHBondContact O-N 3.29Å; A409-R412 PolarHBondContact O-N 2.86Å; A409-S413 WeakPolarHBondContact O-CB 3.19Å; A409-S413 PolarHBondContact O-N 3.12Å
410	V	96.1	Very high	91.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-48.4	174.9	175.3	0	0	0	0	111.1	L388 F406 E407 R412 S413 V414 I423 L424 I438 V448 V452	L388-V410 HydrophobicContact CD2-CG2 3.84Å; F406-V410 HydrophobicContact CD2-CG2 4.13Å; F406-V410 HydrophobicContact CE1-CG2 4.29Å; F406-V410 HydrophobicContact CE2-CG2 3.73Å; F406-V410 HydrophobicContact CZ-CG2 3.83Å; F406-V410 WeakPolarHBondContact O-CG2 3.2Å; F406-V410 PolarHBondContact O-N 3.36Å; E407-V410 PolarHBondContact O-N 2.99Å; V410-R412 VanDerWaalsContact C-N 3.29Å; V410-R412 PolarHBondContact O-N 3Å; V410-S413 WeakPolarHBondContact O-CB 3.47Å; V410-S413 PolarHBondContact O-N 3.01Å; V410-S413 VanDerWaalsContact O-N 3.1Å; V410-V414 HydrophobicContact CG1-CG2 4.5Å; V410-V414 WeakPolarHBondContact O-CG2 3.39Å; V410-V414 PolarHBondContact O-N 3.25Å; V410-I423 HydrophobicContact CG1-CG2 4.02Å; V410-L424 HydrophobicContact CG1-CD2 3.73Å; V410-I438 HydrophobicContact CG1-CG2 4.25Å; V410-I438 HydrophobicContact CG2-CG2 4.43Å; V410-V448 HydrophobicContact CB-CG1 3.97Å; V410-V448 HydrophobicContact CG1-CG1 3.85Å; V410-V448 HydrophobicContact CG2-CG1 4.2Å; V410-V452 HydrophobicContact CG1-CG2 4.27Å
411	S	95	Very high	92	Very high	1 Å²	1	36 Å²	36	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-55.1	-44.7	175.9	171.6	0	0	0	0	111.9	R5 E407 Y415 D455	R5-S411 PolarHBondContact NH2-OG 3.32Å; E407-S411 WeakPolarHBondContact O-CB 3.35Å; E407-S411 PolarHBondContact O-N 3.49Å; S411-Y415 WeakPolarHBondContact O-CB 3.29Å; S411-Y415 PolarHBondContact O-N 3.3Å; S411-Y415 VanDerWaalsContact O-N 3.09Å; S411-D455 WeakPolarHBondContact CB-OD2 3.39Å; S411-D455 PolarHBondContact OG-OD2 2.88Å
412	R	92.9	Very high	92.8	Very high	39 Å²	39	34.5 Å²	34.5	15%	0.147	20%	0.201	C	C	.	.	H	α-helix	trans	-65.4	-41.1	176.4	179.3	173	174.8	-106.9	-13.2	112.3	E380 M408 A409 V410 Y415 L416	E380-R412 IonicContact OE1-CZ 2.66Å; E380-R412 IonicContact OE1-NH1 3.82Å; E380-R412 PolarHBondContact OE1-NH1 3.06Å; E380-R412 IonicContact OE1-NH2 3.57Å; E380-R412 PolarHBondContact OE1-NH2 3.05Å; E380-R412 IonicContact OE2-CZ 3.49Å; E380-R412 IonicContact OE2-NH1 3.8Å; E380-R412 PolarHBondContact OE2-NH1 3.03Å; E380-R412 IonicContact OE2-NH2 3.14Å; M408-R412 WeakPolarHBondContact O-CB 3.25Å; M408-R412 PolarHBondContact O-N 3.16Å; A409-R412 PolarHBondContact O-N 2.86Å; V410-R412 VanDerWaalsContact C-N 3.29Å; V410-R412 PolarHBondContact O-N 3Å; R412-Y415 PolarHBondContact O-N 2.98Å; R412-L416 HydrophobicContact CG-CD1 3.71Å; R412-L416 HydrophobicContact CG-CG 4.25Å; R412-L416 WeakPolarHBondContact O-CB 3.26Å; R412-L416 WeakPolarHBondContact O-CG 2.99Å; R412-L416 PolarHBondContact O-N 2.98Å
413	S	94.2	Very high	93.4	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-47	178.5	-166.9	0	0	0	0	111.4	A409 V410 Y415 L416 T417	A409-S413 WeakPolarHBondContact O-CB 3.19Å; A409-S413 PolarHBondContact O-N 3.12Å; V410-S413 WeakPolarHBondContact O-CB 3.47Å; V410-S413 PolarHBondContact O-N 3.01Å; V410-S413 VanDerWaalsContact O-N 3.1Å; S413-Y415 VanDerWaalsContact C-N 3.32Å; S413-Y415 PolarHBondContact O-N 3.37Å; S413-L416 PolarHBondContact O-N 3.38Å; S413-T417 WeakPolarHBondContact O-CB 3.48Å; S413-T417 WeakPolarHBondContact O-CG2 3.46Å; S413-T417 PolarHBondContact O-N 3.04Å; S413-T417 PolarHBondContact O-OG1 3.38Å
414	V	95	Very high	93.9	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.024	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-47.3	176.5	171.7	0	0	0	0	110.3	V410 L416 G418 T420 I423 L424 V452	V410-V414 HydrophobicContact CG1-CG2 4.5Å; V410-V414 WeakPolarHBondContact O-CG2 3.39Å; V410-V414 PolarHBondContact O-N 3.25Å; V414-L416 PolarHBondContact O-N 2.98Å; V414-G418 WeakPolarHBondContact O-CA 3.46Å; V414-G418 PolarHBondContact O-N 2.97Å; V414-T420 HydrophobicContact CG1-CG2 4.11Å; V414-T420 WeakPolarHBondContact CG1-OG1 3.46Å; V414-I423 HydrophobicContact CG2-CB 4.12Å; V414-I423 HydrophobicContact CG2-CD1 3.88Å; V414-I423 HydrophobicContact CG2-CG2 3.99Å; V414-L424 HydrophobicContact CG2-CD1 4.06Å; V414-L424 HydrophobicContact CG2-CD2 4.14Å; V414-L424 HydrophobicContact CG2-CG 3.92Å; V414-V452 HydrophobicContact CB-CG1 4.16Å; V414-V452 HydrophobicContact CG1-CG1 4.01Å; V414-V452 HydrophobicContact CG2-CG1 4.44Å
415	Y	93.3	Very high	94.1	Very high	77 Å²	77	29.7 Å²	29.7	30%	0.302	16%	0.161	S	C	.	.	H	α-helix	trans	-61.1	-44.8	178.9	178.5	-103.7	0	0	0	113.4	S411 R412 S413	S411-Y415 WeakPolarHBondContact O-CB 3.29Å; S411-Y415 PolarHBondContact O-N 3.3Å; S411-Y415 VanDerWaalsContact O-N 3.09Å; R412-Y415 PolarHBondContact O-N 2.98Å; S413-Y415 VanDerWaalsContact C-N 3.32Å; S413-Y415 PolarHBondContact O-N 3.37Å
416	L	92.5	Very high	94.2	Very high	66 Å²	66	33.9 Å²	33.9	35%	0.346	18%	0.178	S	C	.	.	H	α-helix	trans	-80.1	-29.8	-174.7	-67	176.4	0	0	0	113.7	L381 R412 S413 V414	L381-L416 HydrophobicContact CD2-CB 3.55Å; L381-L416 HydrophobicContact CD2-CD1 3.98Å; L381-L416 HydrophobicContact CD2-CG 4.4Å; R412-L416 HydrophobicContact CG-CD1 3.71Å; R412-L416 HydrophobicContact CG-CG 4.25Å; R412-L416 WeakPolarHBondContact O-CB 3.26Å; R412-L416 WeakPolarHBondContact O-CG 2.99Å; R412-L416 PolarHBondContact O-N 2.98Å; S413-L416 PolarHBondContact O-N 3.38Å; V414-L416 PolarHBondContact O-N 2.98Å
417	T	92.6	Very high	94.1	Very high	35 Å²	35	36.5 Å²	36.5	22%	0.215	19%	0.192	C	C	.	.	H	α-helix	trans	-97.5	-23.9	-176.1	63.3	0	0	0	0	113.3	L381 V384 S413 Q419	L381-T417 HydrophobicContact CD2-CG2 4.07Å; V384-T417 HydrophobicContact CG2-CG2 3.96Å; S413-T417 WeakPolarHBondContact O-CB 3.48Å; S413-T417 WeakPolarHBondContact O-CG2 3.46Å; S413-T417 PolarHBondContact O-N 3.04Å; S413-T417 PolarHBondContact O-OG1 3.38Å; T417-Q419 PolarHBondContact O-N 3.39Å; T417-Q419 PolarHBondContact OG1-N 3.11Å
418	G	90.7	Very high	93.8	Very high	59 Å²	59	35.6 Å²	35.6	61%	0.608	19%	0.19	S	C	*	.			trans	69.1	6.3	-171.1	0	0	0	0	0	114.3	V414 T420	V414-G418 WeakPolarHBondContact O-CA 3.46Å; V414-G418 PolarHBondContact O-N 2.97Å; G418-T420 PolarHBondContact O-N 3.3Å
419	Q	92.4	Very high	93.4	Very high	56 Å²	56	40.3 Å²	40.3	26%	0.262	22%	0.222	S	C	.	.			trans	-84.7	49.3	-176.3	-65.6	177.4	3.3	0	0	112.3	T417 D421 E422 I423	T417-Q419 PolarHBondContact O-N 3.39Å; T417-Q419 PolarHBondContact OG1-N 3.11Å; Q419-D421 PolarHBondContact O-N 3.02Å; Q419-E422 HydrophobicContact CB-CB 4.38Å; Q419-E422 PolarHBondContact O-N 3.44Å; Q419-I423 HydrophobicContact CB-CD1 4.04Å; Q419-I423 HydrophobicContact CB-CG1 4.22Å; Q419-I423 WeakPolarHBondContact O-CB 3.5Å; Q419-I423 VanDerWaalsContact O-CG1 3.22Å; Q419-I423 WeakPolarHBondContact O-CG1 3.29Å; Q419-I423 PolarHBondContact O-N 3.16Å
420	T	94.6	Very high	92.7	Very high	13 Å²	13	45.9 Å²	45.9	8%	0.08	25%	0.252	C	S	.	.	H	α-helix	trans	-56.4	-51.3	-175	-52.7	0	0	0	0	112.3	V414 G418 E422 I423 L424 Q464 L468	V414-T420 HydrophobicContact CG1-CG2 4.11Å; V414-T420 WeakPolarHBondContact CG1-OG1 3.46Å; G418-T420 PolarHBondContact O-N 3.3Å; T420-E422 PolarHBondContact O-N 2.93Å; T420-I423 PolarHBondContact O-N 3.03Å; T420-L424 HydrophobicContact CG2-CD1 4.04Å; T420-L424 WeakPolarHBondContact O-CB 3.43Å; T420-L424 PolarHBondContact O-N 3.34Å; T420-Q464 PolarHBondContact OG1-NE2 3.33Å; T420-L468 HydrophobicContact CG2-CD2 3.69Å
421	D	95	Very high	92.1	Very high	104 Å²	104	46.9 Å²	46.9	56%	0.556	26%	0.262	S	S	*	.	H	α-helix	trans	-67.1	-36.4	-175.4	-71.6	0.8	0	0	0	113	Q419 G425 K426	Q419-D421 PolarHBondContact O-N 3.02Å; D421-G425 CarbonylContact O-C 3.32Å; D421-G425 WeakPolarHBondContact O-CA 3.45Å; D421-G425 PolarHBondContact O-N 2.84Å; D421-K426 HydrophobicContact CB-CB 4.21Å
422	E	95.4	Very high	91.7	Very high	89 Å²	89	55 Å²	55	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-71.5	-44.5	179.2	-174	174.5	-179.8	0	0	110.7	Q419 T420 G436 L437	Q419-E422 HydrophobicContact CB-CB 4.38Å; Q419-E422 PolarHBondContact O-N 3.44Å; T420-E422 PolarHBondContact O-N 2.93Å; E422-G436 CarbonylContact O-C 3.48Å; E422-G436 VanDerWaalsContact O-CA 3.27Å; E422-G436 WeakPolarHBondContact O-CA 3.44Å; E422-L437 HydrophobicContact CG-CD1 4Å; E422-L437 HydrophobicContact CG-CG 4.25Å; E422-L437 WeakPolarHBondContact O-CG 3.43Å; E422-L437 PolarHBondContact O-N 2.66Å
423	I	96.6	Very high	91.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-73.5	-53.5	-177.6	-61.2	169.6	0	0	0	110.7	V384 V410 V414 Q419 T420 L437 I438	V384-I423 HydrophobicContact CG1-CD1 3.81Å; V384-I423 HydrophobicContact CG1-CG1 3.83Å; V410-I423 HydrophobicContact CG1-CG2 4.02Å; V414-I423 HydrophobicContact CG2-CB 4.12Å; V414-I423 HydrophobicContact CG2-CD1 3.88Å; V414-I423 HydrophobicContact CG2-CG2 3.99Å; Q419-I423 HydrophobicContact CB-CD1 4.04Å; Q419-I423 HydrophobicContact CB-CG1 4.22Å; Q419-I423 WeakPolarHBondContact O-CB 3.5Å; Q419-I423 VanDerWaalsContact O-CG1 3.22Å; Q419-I423 WeakPolarHBondContact O-CG1 3.29Å; Q419-I423 PolarHBondContact O-N 3.16Å; T420-I423 PolarHBondContact O-N 3.03Å; I423-L437 PolarHBondContact O-N 2.6Å; I423-I438 HydrophobicContact CG2-CG2 3.96Å; I423-I438 WeakPolarHBondContact O-CG1 3.44Å; I423-I438 WeakPolarHBondContact O-CG2 3.5Å; I423-I438 PolarHBondContact O-N 2.99Å; I423-I438 VanDerWaalsContact O-N 3.13Å
424	L	97.1	Very high	91.7	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-96.2	-10.8	-170.1	-54.9	-176.8	0	0	0	113.7	V410 V414 T420 R433 I438 I449 V452 L468 L471	V410-L424 HydrophobicContact CG1-CD2 3.73Å; V414-L424 HydrophobicContact CG2-CD1 4.06Å; V414-L424 HydrophobicContact CG2-CD2 4.14Å; V414-L424 HydrophobicContact CG2-CG 3.92Å; T420-L424 HydrophobicContact CG2-CD1 4.04Å; T420-L424 WeakPolarHBondContact O-CB 3.43Å; T420-L424 PolarHBondContact O-N 3.34Å; L424-R433 PolarHBondContact O-NE 2.86Å; L424-R433 PolarHBondContact O-NH2 3.17Å; L424-I438 HydrophobicContact CD2-CD1 3.72Å; L424-I449 HydrophobicContact CB-CG1 4.41Å; L424-I449 HydrophobicContact CD1-CG2 4.49Å; L424-I449 HydrophobicContact CD2-CG1 4.31Å; L424-V452 HydrophobicContact CD1-CB 4.07Å; L424-V452 HydrophobicContact CD1-CG1 4.04Å; L424-V452 HydrophobicContact CD1-CG2 4.08Å; L424-V452 HydrophobicContact CD2-CG2 4.18Å; L424-L468 HydrophobicContact CD1-CD2 3.51Å; L424-L471 HydrophobicContact CB-CD2 3.92Å
425	G	95.4	Very high	91.7	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.01	35%	0.348	C	S	.	.			trans	85.1	173.5	-169.3	0	0	0	0	0	112.1	D421 E434 L471	D421-G425 CarbonylContact O-C 3.32Å; D421-G425 WeakPolarHBondContact O-CA 3.45Å; D421-G425 PolarHBondContact O-N 2.84Å; G425-E434 VanDerWaalsContact CA-O 3.22Å; G425-E434 WeakPolarHBondContact CA-O 3.42Å; G425-L471 WeakPolarHBondContact O-CD2 3.49Å
426	K	94.6	Very high	91.8	Very high	91 Å²	91	64.9 Å²	64.9	40%	0.396	34%	0.341	S	S	.	.			trans	-126.6	156.7	-177.7	66.2	178	179.7	-177.6	0	111.9	D421 E434	D421-K426 HydrophobicContact CB-CB 4.21Å; K426-E434 VanDerWaalsContact CE-OE1 3.29Å; K426-E434 WeakPolarHBondContact CE-OE1 3.31Å; K426-E434 WeakPolarHBondContact CE-OE2 3.26Å; K426-E434 HydrophobicContact CG-CB 3.93Å; K426-E434 PolarHBondContact N-O 3.49Å; K426-E434 IonicContact NZ-OE1 2.65Å; K426-E434 IonicContact NZ-OE2 3.66Å; K426-E434 PolarHBondContact NZ-OE2 3.45Å; K426-E434 PolarHBondContact O-N 2.83Å
427	L	91.3	Very high	92	Very high	57 Å²	57	62.8 Å²	62.8	30%	0.298	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-89.9	127.3	176.7	-157.5	67.3	0	0	0	110.2	L470 L471 V511	L427-L470 HydrophobicContact CD2-CB 3.91Å; L427-L470 HydrophobicContact CD2-CD1 4.33Å; L427-L471 HydrophobicContact CB-CD1 4.37Å; L427-L471 HydrophobicContact CD1-CD1 4.4Å; L427-V511 HydrophobicContact CD2-CG1 3.57Å; L427-V511 HydrophobicContact CG-CG1 4.38Å
428	T	88.4	Confident	92.1	Very high	24 Å²	24	61.1 Å²	61.1	15%	0.147	32%	0.32	C	S	.	.			trans	-73.8	159.1	171.3	57.1	0	0	0	0	110.9	D430 G431 R432 E434	T428-D430 PolarHBondContact O-N 3.04Å; T428-D430 VanDerWaalsContact O-N 3.09Å; T428-G431 PolarHBondContact O-N 3.41Å; T428-R432 WeakPolarHBondContact CB-O 3.41Å; T428-R432 WeakPolarHBondContact CG2-O 3.31Å; T428-R432 PolarHBondContact N-O 3.05Å; T428-R432 WeakPolarHBondContact OG1-CA 3.39Å; T428-R432 WeakPolarHBondContact OG1-CB 3.5Å; T428-R432 PolarHBondContact OG1-N 2.91Å; T428-R432 PolarHBondContact OG1-O 3.46Å; T428-E434 HydrophobicContact CG2-CG 3.74Å; T428-E434 VanDerWaalsContact CG2-OE1 3.3Å; T428-E434 WeakPolarHBondContact CG2-OE1 3.45Å
429	P	83.6	Confident	92.3	Very high	125 Å²	125	59.6 Å²	59.6	81%	0.812	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.3	173.5	-26.5	35.5	0	0	0	114	G431	P429-G431 PolarHBondContact O-N 3.47Å
430	D	81	Confident	92.3	Very high	120 Å²	120	62.4 Å²	62.4	64%	0.642	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	1.5	177.6	-63.7	-34.6	0	0	0	113.6	T428 R432 R513	T428-D430 PolarHBondContact O-N 3.04Å; T428-D430 VanDerWaalsContact O-N 3.09Å; D430-R432 VanDerWaalsContact C-N 3.33Å; D430-R432 PolarHBondContact O-N 2.7Å; D430-R513 PolarHBondContact O-NH2 3.46Å
431	G	81.5	Confident	92.2	Very high	20 Å²	20	63.1 Å²	63.1	21%	0.206	31%	0.312	C	S	.	.	S	Bend	trans	75.8	16.5	-178.3	0	0	0	0	0	114.9	T428 P429	T428-G431 PolarHBondContact O-N 3.41Å; P429-G431 PolarHBondContact O-N 3.47Å
432	R	87.1	Confident	92	Very high	172 Å²	172	58.7 Å²	58.7	65%	0.649	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-93.7	141.1	171.9	-61.1	-176.7	-178	-171.7	0.1	110	T428 D430	T428-R432 WeakPolarHBondContact CB-O 3.41Å; T428-R432 WeakPolarHBondContact CG2-O 3.31Å; T428-R432 PolarHBondContact N-O 3.05Å; T428-R432 WeakPolarHBondContact OG1-CA 3.39Å; T428-R432 WeakPolarHBondContact OG1-CB 3.5Å; T428-R432 PolarHBondContact OG1-N 2.91Å; T428-R432 PolarHBondContact OG1-O 3.46Å; D430-R432 VanDerWaalsContact C-N 3.33Å; D430-R432 PolarHBondContact O-N 2.7Å
433	R	92.1	Very high	91.8	Very high	62 Å²	62	62.8 Å²	62.8	23%	0.234	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-80.2	126.4	174.4	175	169.4	174.6	-80.6	0.3	111	L424 D439 L471	L424-R433 PolarHBondContact O-NE 2.86Å; L424-R433 PolarHBondContact O-NH2 3.17Å; R433-D439 IonicContact CZ-OD1 3.23Å; R433-D439 IonicContact CZ-OD2 2.77Å; R433-D439 VanDerWaalsContact CZ-OD2 3.31Å; R433-D439 VanDerWaalsContact NH1-CG 3.34Å; R433-D439 IonicContact NH1-OD1 2.86Å; R433-D439 PolarHBondContact NH1-OD1 3.46Å; R433-D439 IonicContact NH1-OD2 3.88Å; R433-D439 PolarHBondContact NH1-OD2 2.96Å; R433-D439 IonicContact NH2-OD1 3.87Å; R433-D439 PolarHBondContact NH2-OD1 3.17Å; R433-D439 IonicContact NH2-OD2 3.51Å; R433-D439 PolarHBondContact NH2-OD2 3.37Å; R433-L471 HydrophobicContact CB-CD1 4.04Å; R433-L471 HydrophobicContact CG-CD1 3.55Å; R433-L471 HydrophobicContact CG-CG 4.34Å
434	E	94.6	Very high	91.7	Very high	86 Å²	86	67.8 Å²	67.8	40%	0.402	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-79.9	144.7	160.6	-77.9	-179	-138.8	0	0	109.8	G425 K426 T428	G425-E434 VanDerWaalsContact CA-O 3.22Å; G425-E434 WeakPolarHBondContact CA-O 3.42Å; K426-E434 VanDerWaalsContact CE-OE1 3.29Å; K426-E434 WeakPolarHBondContact CE-OE1 3.31Å; K426-E434 WeakPolarHBondContact CE-OE2 3.26Å; K426-E434 HydrophobicContact CG-CB 3.93Å; K426-E434 PolarHBondContact N-O 3.49Å; K426-E434 IonicContact NZ-OE1 2.65Å; K426-E434 IonicContact NZ-OE2 3.66Å; K426-E434 PolarHBondContact NZ-OE2 3.45Å; K426-E434 PolarHBondContact O-N 2.83Å; T428-E434 HydrophobicContact CG2-CG 3.74Å; T428-E434 VanDerWaalsContact CG2-OE1 3.3Å; T428-E434 WeakPolarHBondContact CG2-OE1 3.45Å
435	K	95.4	Very high	91.6	Very high	168 Å²	168	68.1 Å²	68.1	73%	0.73	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-70.9	143.5	-176.6	-64.9	-170.5	171.1	-161.3	0	111.4	D439	K435-D439 VanDerWaalsContact CA-OD2 3.29Å; K435-D439 WeakPolarHBondContact CA-OD2 3.32Å; K435-D439 HydrophobicContact CB-CB 3.95Å; K435-D439 HydrophobicContact CD-CB 3.98Å; K435-D439 HydrophobicContact CG-CB 4.1Å
436	G	95.9	Very high	91.5	Very high	15 Å²	15	68.9 Å²	68.9	16%	0.155	35%	0.347	C	S	.	.			trans	-112.2	-169.5	167.3	0	0	0	0	0	111.6	E422 I438 D439	E422-G436 CarbonylContact O-C 3.48Å; E422-G436 VanDerWaalsContact O-CA 3.27Å; E422-G436 WeakPolarHBondContact O-CA 3.44Å; G436-I438 VanDerWaalsContact C-N 3.28Å; G436-I438 PolarHBondContact O-N 3.29Å; G436-D439 PolarHBondContact N-OD2 2.9Å; G436-D439 WeakPolarHBondContact O-CB 3.49Å; G436-D439 PolarHBondContact O-N 3.31Å
437	L	95.7	Very high	91.5	Very high	22 Å²	22	69.7 Å²	69.7	12%	0.115	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-61.2	-34.4	-179	-65.3	171.9	0	0	0	113	V384 P385 L388 E422 I423 D439 E440	V384-L437 HydrophobicContact CG1-CD1 4.48Å; P385-L437 HydrophobicContact CG-CD1 3.92Å; P385-L437 HydrophobicContact CG-CD2 4.29Å; L388-L437 HydrophobicContact CD1-CB 3.49Å; L388-L437 VanDerWaalsContact CD1-CB 3.49Å; L388-L437 HydrophobicContact CD1-CD1 4.06Å; L388-L437 HydrophobicContact CD1-CG 4.42Å; E422-L437 HydrophobicContact CG-CD1 4Å; E422-L437 HydrophobicContact CG-CG 4.25Å; E422-L437 WeakPolarHBondContact O-CG 3.43Å; E422-L437 PolarHBondContact O-N 2.66Å; I423-L437 PolarHBondContact O-N 2.6Å; L437-D439 PolarHBondContact O-N 2.95Å; L437-E440 PolarHBondContact O-N 3.27Å
438	I	95.9	Very high	91.7	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-66.4	-20.2	-178.7	64.4	175.8	0	0	0	113.7	L388 V410 I423 L424 G436 E440 Y441 L442 P445 I449	L388-I438 HydrophobicContact CD2-CG2 4.12Å; V410-I438 HydrophobicContact CG1-CG2 4.25Å; V410-I438 HydrophobicContact CG2-CG2 4.43Å; I423-I438 HydrophobicContact CG2-CG2 3.96Å; I423-I438 WeakPolarHBondContact O-CG1 3.44Å; I423-I438 WeakPolarHBondContact O-CG2 3.5Å; I423-I438 PolarHBondContact O-N 2.99Å; I423-I438 VanDerWaalsContact O-N 3.13Å; L424-I438 HydrophobicContact CD2-CD1 3.72Å; G436-I438 VanDerWaalsContact C-N 3.28Å; G436-I438 PolarHBondContact O-N 3.29Å; I438-E440 PolarHBondContact O-N 3.44Å; I438-Y441 PolarHBondContact O-N 2.96Å; I438-L442 PolarHBondContact O-N 3.37Å; I438-P445 HydrophobicContact CD1-CB 3.47Å; I438-P445 VanDerWaalsContact CD1-CB 3.47Å; I438-P445 HydrophobicContact CD1-CG 4.38Å; I438-P445 HydrophobicContact CG1-CB 3.92Å; I438-I449 HydrophobicContact CD1-CD1 4.22Å; I438-I449 HydrophobicContact CD1-CG1 3.84Å
439	D	94.6	Very high	92.2	Very high	26 Å²	26	66.1 Å²	66.1	14%	0.139	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-69.4	-15.2	177.2	-66.9	-94.3	0	0	0	113.4	R433 K435 G436 L437 Y441	R433-D439 IonicContact CZ-OD1 3.23Å; R433-D439 IonicContact CZ-OD2 2.77Å; R433-D439 VanDerWaalsContact CZ-OD2 3.31Å; R433-D439 VanDerWaalsContact NH1-CG 3.34Å; R433-D439 IonicContact NH1-OD1 2.86Å; R433-D439 PolarHBondContact NH1-OD1 3.46Å; R433-D439 IonicContact NH1-OD2 3.88Å; R433-D439 PolarHBondContact NH1-OD2 2.96Å; R433-D439 IonicContact NH2-OD1 3.87Å; R433-D439 PolarHBondContact NH2-OD1 3.17Å; R433-D439 IonicContact NH2-OD2 3.51Å; R433-D439 PolarHBondContact NH2-OD2 3.37Å; K435-D439 VanDerWaalsContact CA-OD2 3.29Å; K435-D439 WeakPolarHBondContact CA-OD2 3.32Å; K435-D439 HydrophobicContact CB-CB 3.95Å; K435-D439 HydrophobicContact CD-CB 3.98Å; K435-D439 HydrophobicContact CG-CB 4.1Å; G436-D439 PolarHBondContact N-OD2 2.9Å; G436-D439 WeakPolarHBondContact O-CB 3.49Å; G436-D439 PolarHBondContact O-N 3.31Å; L437-D439 PolarHBondContact O-N 2.95Å; D439-Y441 PolarHBondContact O-N 2.85Å
440	E	92.6	Very high	92.7	Very high	115 Å²	115	61.1 Å²	61.1	54%	0.537	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-69.2	-21.9	173.4	-62.4	-164.5	173.4	0	0	112	H47 L437 I438	H47-E440 IonicContact CE1-OE2 2.9Å; L437-E440 PolarHBondContact O-N 3.27Å; I438-E440 PolarHBondContact O-N 3.44Å
441	Y	91.5	Very high	93.4	Very high	29 Å²	29	57.7 Å²	57.7	11%	0.114	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-24	-172.1	-54	-84.4	0	0	0	113.6	L50 P385 L388 D389 F392 I438 D439	L50-Y441 HydrophobicContact CD1-CE1 4.15Å; P385-Y441 PolarHBondContact O-OH 2.83Å; L388-Y441 HydrophobicContact CB-CE2 3.67Å; L388-Y441 HydrophobicContact CD1-CE2 4.33Å; D389-Y441 PolarHBondContact N-OH 2.91Å; D389-Y441 VanDerWaalsContact N-OH 3.16Å; D389-Y441 PolarHBondContact OD1-OH 3.36Å; F392-Y441 HydrophobicContact CB-CD1 3.77Å; F392-Y441 HydrophobicContact CB-CE1 4.2Å; F392-Y441 HydrophobicContact CB-CG 4.29Å; F392-Y441 AromaticContact CD1-CD1 3.68Å; F392-Y441 HydrophobicContact CD1-CD1 3.68Å; F392-Y441 HydrophobicContact CD1-CG 4.44Å; F392-Y441 HydrophobicContact CD2-CD1 4.16Å; F392-Y441 HydrophobicContact CD2-CG 4.15Å; F392-Y441 HydrophobicContact CE1-CD1 4.27Å; F392-Y441 WeakPolarHBondContact CE2-O 3.44Å; F392-Y441 AromaticContact CG-CD1 3.59Å; F392-Y441 HydrophobicContact CG-CD1 3.59Å; F392-Y441 HydrophobicContact CG-CE1 4.45Å; F392-Y441 HydrophobicContact CG-CG 4.04Å; F392-Y441 WeakPolarHBondContact CZ-O 3.41Å; I438-Y441 PolarHBondContact O-N 2.96Å; D439-Y441 PolarHBondContact O-N 2.85Å
442	L	92.3	Very high	94.1	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.058	27%	0.269	C	S	.	.			trans	-127.7	130.8	-171.6	-60.4	-178.5	0	0	0	111.3	F392 K395 F406 I438 D444 P445 V448	F392-L442 HydrophobicContact CE2-CD2 4Å; K395-L442 HydrophobicContact CD-CD2 4Å; F406-L442 HydrophobicContact CE1-CD1 4.05Å; I438-L442 PolarHBondContact O-N 3.37Å; L442-D444 VanDerWaalsContact C-N 3.32Å; L442-P445 HydrophobicContact CB-CB 4.42Å; L442-P445 HydrophobicContact CD1-CB 4.13Å; L442-V448 HydrophobicContact CD1-CB 4.48Å; L442-V448 HydrophobicContact CD1-CG2 3.46Å; L442-V448 VanDerWaalsContact CD1-CG2 3.46Å
443	D	91.2	Very high	94.6	Very high	174 Å²	174	48.6 Å²	48.6	93%	0.93	24%	0.238	S	C	*	.	S	Bend	trans	-67.2	-37.9	168.5	-64.2	-38.7	0	0	0	111.2
444	D	93.3	Very high	94.8	Very high	105 Å²	105	47.5 Å²	47.5	56%	0.561	24%	0.241	S	C	*	.			trans	-129.3	105.4	174.9	-176.7	9.7	0	0	0	110.8	L442 S446	L442-D444 VanDerWaalsContact C-N 3.32Å; D444-S446 VanDerWaalsContact C-N 3.31Å; D444-S446 WeakPolarHBondContact OD1-CB 3.44Å; D444-S446 PolarHBondContact OD1-N 3.26Å; D444-S446 PolarHBondContact OD1-OG 3.05Å
445	P	95.3	Very high	94.8	Very high	7 Å²	7	44 Å²	44	5%	0.045	22%	0.224	C	C	.	.			trans	-84.9	4	177.4	31.6	-31.7	0	0	0	114.4	I438 L442 E447 V448 I449	I438-P445 HydrophobicContact CD1-CB 3.47Å; I438-P445 VanDerWaalsContact CD1-CB 3.47Å; I438-P445 HydrophobicContact CD1-CG 4.38Å; I438-P445 HydrophobicContact CG1-CB 3.92Å; L442-P445 HydrophobicContact CB-CB 4.42Å; L442-P445 HydrophobicContact CD1-CB 4.13Å; P445-E447 VanDerWaalsContact C-N 3.33Å; P445-E447 PolarHBondContact O-N 3.18Å; P445-V448 PolarHBondContact O-N 3.1Å; P445-V448 VanDerWaalsContact O-N 3.09Å; P445-I449 HydrophobicContact CB-CD1 3.97Å; P445-I449 HydrophobicContact CB-CG1 4.33Å; P445-I449 HydrophobicContact CG-CD1 3.95Å; P445-I449 WeakPolarHBondContact O-CG1 3.41Å; P445-I449 PolarHBondContact O-N 3.37Å
446	S	94.4	Very high	94.8	Very high	18 Å²	18	36.3 Å²	36.3	13%	0.126	19%	0.191	C	C	.	.	H	α-helix	trans	-56.3	-41.1	-169.5	-61	0	0	0	0	114	D444 I449 C450 A472	D444-S446 VanDerWaalsContact C-N 3.31Å; D444-S446 WeakPolarHBondContact OD1-CB 3.44Å; D444-S446 PolarHBondContact OD1-N 3.26Å; D444-S446 PolarHBondContact OD1-OG 3.05Å; S446-I449 PolarHBondContact O-N 2.88Å; S446-C450 WeakPolarHBondContact O-CB 3.49Å; S446-C450 PolarHBondContact O-N 2.93Å; S446-A472 WeakPolarHBondContact CB-O 3.45Å
447	E	93.9	Very high	94.7	Very high	108 Å²	108	39.2 Å²	39.2	51%	0.505	20%	0.201	S	C	.	.	H	α-helix	trans	-68.3	-39.4	179.3	-65.4	-59.5	135.5	0	0	112	P445 C450 R451 K474	P445-E447 VanDerWaalsContact C-N 3.33Å; P445-E447 PolarHBondContact O-N 3.18Å; E447-C450 PolarHBondContact O-N 2.62Å; E447-R451 PolarHBondContact O-N 3.41Å; E447-K474 IonicContact OE1-NZ 2.64Å; E447-K474 PolarHBondContact OE1-NZ 3.5Å
448	V	96	Very high	94.6	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-47.3	175.1	-173.4	0	0	0	0	110.7	F406 E407 V410 L442 P445 C450 R451 V452	F406-V448 HydrophobicContact CD1-CG2 4.45Å; F406-V448 HydrophobicContact CE1-CG2 4.1Å; E407-V448 HydrophobicContact CG-CB 4.37Å; E407-V448 HydrophobicContact CG-CG1 4.39Å; E407-V448 HydrophobicContact CG-CG2 3.98Å; V410-V448 HydrophobicContact CB-CG1 3.97Å; V410-V448 HydrophobicContact CG1-CG1 3.85Å; V410-V448 HydrophobicContact CG2-CG1 4.2Å; L442-V448 HydrophobicContact CD1-CB 4.48Å; L442-V448 HydrophobicContact CD1-CG2 3.46Å; L442-V448 VanDerWaalsContact CD1-CG2 3.46Å; P445-V448 PolarHBondContact O-N 3.1Å; P445-V448 VanDerWaalsContact O-N 3.09Å; V448-C450 VanDerWaalsContact C-N 3.32Å; V448-C450 PolarHBondContact O-N 3.13Å; V448-R451 WeakPolarHBondContact O-CB 3.41Å; V448-R451 PolarHBondContact O-N 3.29Å; V448-V452 WeakPolarHBondContact O-CG2 3.19Å; V448-V452 PolarHBondContact O-N 3.25Å; V448-V452 VanDerWaalsContact O-N 3.09Å
449	I	97.3	Very high	94.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-40.4	179.1	-59.3	165.6	0	0	0	110.1	L424 I438 P445 S446 R451 V452 A453 L468 L471 A472	L424-I449 HydrophobicContact CB-CG1 4.41Å; L424-I449 HydrophobicContact CD1-CG2 4.49Å; L424-I449 HydrophobicContact CD2-CG1 4.31Å; I438-I449 HydrophobicContact CD1-CD1 4.22Å; I438-I449 HydrophobicContact CD1-CG1 3.84Å; P445-I449 HydrophobicContact CB-CD1 3.97Å; P445-I449 HydrophobicContact CB-CG1 4.33Å; P445-I449 HydrophobicContact CG-CD1 3.95Å; P445-I449 WeakPolarHBondContact O-CG1 3.41Å; P445-I449 PolarHBondContact O-N 3.37Å; S446-I449 PolarHBondContact O-N 2.88Å; I449-R451 VanDerWaalsContact C-N 3.29Å; I449-R451 PolarHBondContact O-N 3.11Å; I449-V452 PolarHBondContact O-N 3.02Å; I449-A453 PolarHBondContact O-N 2.82Å; I449-L468 HydrophobicContact CG2-CD2 4.43Å; I449-L468 WeakPolarHBondContact CG2-O 3.26Å; I449-L471 HydrophobicContact CD1-CD2 4.44Å; I449-L471 HydrophobicContact CD1-CG 4.3Å; I449-L471 HydrophobicContact CG2-CB 4.05Å; I449-L471 HydrophobicContact CG2-CD2 3.95Å; I449-L471 HydrophobicContact CG2-CG 4.14Å; I449-A472 HydrophobicContact CB-CB 3.91Å; I449-A472 HydrophobicContact CG2-CB 3.78Å
450	C	96.1	Very high	94	Very high	21 Å²	21	48.5 Å²	48.5	14%	0.142	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-36.6	176	-169.1	0	0	0	0	111.8	S446 E447 V448 A453 S454 A472	S446-C450 WeakPolarHBondContact O-CB 3.49Å; S446-C450 PolarHBondContact O-N 2.93Å; E447-C450 PolarHBondContact O-N 2.62Å; V448-C450 VanDerWaalsContact C-N 3.32Å; V448-C450 PolarHBondContact O-N 3.13Å; C450-A453 PolarHBondContact O-N 3.32Å; C450-S454 WeakPolarHBondContact O-CB 3.32Å; C450-S454 PolarHBondContact O-N 3.43Å; C450-A472 HydrophobicContact CB-CB 4.06Å
451	R	95.2	Very high	94	Very high	48 Å²	48	47.2 Å²	47.2	18%	0.181	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-46.1	173	-177.9	74.1	-167.8	94.8	7.1	111.4	E407 M408 E447 V448 I449 S454 D455	E407-R451 HydrophobicContact CB-CB 4.2Å; E407-R451 HydrophobicContact CB-CG 3.97Å; M408-R451 PolarHBondContact SD-NE 3.19Å; M408-R451 VanDerWaalsContact SD-NE 3.43Å; M408-R451 PolarHBondContact SD-NH2 2.83Å; E447-R451 PolarHBondContact O-N 3.41Å; V448-R451 WeakPolarHBondContact O-CB 3.41Å; V448-R451 PolarHBondContact O-N 3.29Å; I449-R451 VanDerWaalsContact C-N 3.29Å; I449-R451 PolarHBondContact O-N 3.11Å; R451-S454 PolarHBondContact O-N 3.42Å; R451-D455 IonicContact CZ-OD1 3.99Å; R451-D455 IonicContact CZ-OD2 3.13Å; R451-D455 IonicContact NE-OD2 2.68Å; R451-D455 IonicContact NH1-OD1 3.99Å; R451-D455 PolarHBondContact NH1-OD1 3.05Å; R451-D455 IonicContact NH1-OD2 3.29Å; R451-D455 PolarHBondContact NH1-OD2 3.2Å; R451-D455 IonicContact NH2-OD1 3.34Å; R451-D455 PolarHBondContact NH2-OD1 3.26Å; R451-D455 IonicContact NH2-OD2 2.65Å; R451-D455 PolarHBondContact NH2-OD2 3.45Å; R451-D455 PolarHBondContact O-N 3.4Å
452	V	96.8	Very high	94.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-45.5	176.3	-171	0	0	0	0	110.4	V410 V414 L424 V448 I449 S454 D455 T456 L468	V410-V452 HydrophobicContact CG1-CG2 4.27Å; V414-V452 HydrophobicContact CB-CG1 4.16Å; V414-V452 HydrophobicContact CG1-CG1 4.01Å; V414-V452 HydrophobicContact CG2-CG1 4.44Å; L424-V452 HydrophobicContact CD1-CB 4.07Å; L424-V452 HydrophobicContact CD1-CG1 4.04Å; L424-V452 HydrophobicContact CD1-CG2 4.08Å; L424-V452 HydrophobicContact CD2-CG2 4.18Å; V448-V452 WeakPolarHBondContact O-CG2 3.19Å; V448-V452 PolarHBondContact O-N 3.25Å; V448-V452 VanDerWaalsContact O-N 3.09Å; I449-V452 PolarHBondContact O-N 3.02Å; V452-S454 PolarHBondContact O-N 3.49Å; V452-D455 PolarHBondContact O-N 2.88Å; V452-T456 WeakPolarHBondContact O-CB 3.2Å; V452-T456 PolarHBondContact O-N 3.16Å; V452-T456 PolarHBondContact O-OG1 3.08Å; V452-T456 VanDerWaalsContact O-OG1 3.09Å; V452-L468 HydrophobicContact CG1-CD1 4.06Å
453	A	97.1	Very high	94	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-55.1	-48.9	177.3	0	0	0	0	0	112.2	I449 C450 D455 T456 E457 L468 Y469	I449-A453 PolarHBondContact O-N 2.82Å; C450-A453 PolarHBondContact O-N 3.32Å; A453-D455 VanDerWaalsContact C-N 3.35Å; A453-D455 PolarHBondContact O-N 2.89Å; A453-T456 PolarHBondContact O-N 2.76Å; A453-E457 WeakPolarHBondContact O-CB 3.46Å; A453-E457 PolarHBondContact O-N 2.96Å; A453-L468 HydrophobicContact CB-CB 3.52Å; A453-Y469 HydrophobicContact CB-CD1 3.59Å; A453-Y469 HydrophobicContact CB-CD2 4.18Å; A453-Y469 HydrophobicContact CB-CE1 3.59Å; A453-Y469 HydrophobicContact CB-CE2 4.2Å; A453-Y469 HydrophobicContact CB-CG 3.88Å
454	S	95.4	Very high	94.1	Very high	40 Å²	40	46 Å²	46	28%	0.28	25%	0.249	S	C	.	.	H	α-helix	trans	-63.3	-39	178.7	175.8	0	0	0	0	112.5	C450 R451 V452 E457 I458 Y469	C450-S454 WeakPolarHBondContact O-CB 3.32Å; C450-S454 PolarHBondContact O-N 3.43Å; R451-S454 PolarHBondContact O-N 3.42Å; V452-S454 PolarHBondContact O-N 3.49Å; S454-E457 WeakPolarHBondContact O-CB 3.49Å; S454-E457 PolarHBondContact O-N 2.83Å; S454-I458 VanDerWaalsContact O-CG1 3.31Å; S454-I458 WeakPolarHBondContact O-CG1 3.49Å; S454-I458 PolarHBondContact O-N 3.02Å; S454-I458 VanDerWaalsContact O-N 3.16Å; S454-Y469 WeakPolarHBondContact CA-OH 3.27Å
455	D	94.6	Very high	94.2	Very high	12 Å²	12	41 Å²	41	6%	0.064	22%	0.222	C	C	.	.	H	α-helix	trans	-71.4	-34	175.3	-79.1	-28.9	0	0	0	113.3	R5 S411 R451 V452 A453 E457 I458 T459	R5-D455 VanDerWaalsContact CZ-CB 3.49Å; R5-D455 PolarHBondContact NH1-O 3.36Å; R5-D455 IonicContact NH2-OD2 3.1Å; S411-D455 WeakPolarHBondContact CB-OD2 3.39Å; S411-D455 PolarHBondContact OG-OD2 2.88Å; R451-D455 IonicContact CZ-OD1 3.99Å; R451-D455 IonicContact CZ-OD2 3.13Å; R451-D455 IonicContact NE-OD2 2.68Å; R451-D455 IonicContact NH1-OD1 3.99Å; R451-D455 PolarHBondContact NH1-OD1 3.05Å; R451-D455 IonicContact NH1-OD2 3.29Å; R451-D455 PolarHBondContact NH1-OD2 3.2Å; R451-D455 IonicContact NH2-OD1 3.34Å; R451-D455 PolarHBondContact NH2-OD1 3.26Å; R451-D455 IonicContact NH2-OD2 2.65Å; R451-D455 PolarHBondContact NH2-OD2 3.45Å; R451-D455 PolarHBondContact O-N 3.4Å; V452-D455 PolarHBondContact O-N 2.88Å; A453-D455 VanDerWaalsContact C-N 3.35Å; A453-D455 PolarHBondContact O-N 2.89Å; D455-E457 VanDerWaalsContact C-N 3.35Å; D455-I458 PolarHBondContact O-N 3.39Å; D455-T459 PolarHBondContact O-N 3.18Å; D455-T459 PolarHBondContact O-OG1 3.21Å
456	T	95.4	Very high	94.3	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-38	174.5	-64.9	0	0	0	0	111.1	V452 A453 T459 G460 E461 Q464 A465 L468	V452-T456 WeakPolarHBondContact O-CB 3.2Å; V452-T456 PolarHBondContact O-N 3.16Å; V452-T456 PolarHBondContact O-OG1 3.08Å; V452-T456 VanDerWaalsContact O-OG1 3.09Å; A453-T456 PolarHBondContact O-N 2.76Å; T456-T459 WeakPolarHBondContact CA-OG1 3.31Å; T456-T459 PolarHBondContact O-N 3.18Å; T456-T459 PolarHBondContact O-OG1 3.26Å; T456-G460 PolarHBondContact O-N 3.2Å; T456-E461 HydrophobicContact CG2-CB 3.73Å; T456-E461 WeakPolarHBondContact CG2-O 3.31Å; T456-E461 PolarHBondContact O-N 2.85Å; T456-Q464 HydrophobicContact CG2-CB 3.92Å; T456-Q464 HydrophobicContact CG2-CG 4.14Å; T456-A465 HydrophobicContact CG2-CB 4.07Å; T456-L468 HydrophobicContact CG2-CD1 4.29Å
457	E	95	Very high	94.2	Very high	76 Å²	76	41.6 Å²	41.6	36%	0.355	23%	0.232	S	C	.	.	H	α-helix	trans	-59.7	-46.5	172.4	-179.1	-176.5	163.5	0	0	111.3	A453 S454 D455 T459 G460 A465 Y469 L481	A453-E457 WeakPolarHBondContact O-CB 3.46Å; A453-E457 PolarHBondContact O-N 2.96Å; S454-E457 WeakPolarHBondContact O-CB 3.49Å; S454-E457 PolarHBondContact O-N 2.83Å; D455-E457 VanDerWaalsContact C-N 3.35Å; E457-T459 PolarHBondContact O-N 3.5Å; E457-G460 PolarHBondContact O-N 3.22Å; E457-A465 HydrophobicContact CB-CB 4Å; E457-Y469 WeakPolarHBondContact OE2-CE2 3.26Å; E457-Y469 PolarHBondContact OE2-OH 3.16Å; E457-L481 HydrophobicContact CB-CD2 4.49Å; E457-L481 HydrophobicContact CG-CD1 3.93Å; E457-L481 HydrophobicContact CG-CD2 4.1Å
458	I	92.3	Very high	94.3	Very high	131 Å²	131	36.7 Å²	36.7	67%	0.672	21%	0.209	S	C	*	.	H	α-helix	trans	-61.5	-29.8	178.5	-68.5	164.6	0	0	0	112	S454 D455 G460	S454-I458 VanDerWaalsContact O-CG1 3.31Å; S454-I458 WeakPolarHBondContact O-CG1 3.49Å; S454-I458 PolarHBondContact O-N 3.02Å; S454-I458 VanDerWaalsContact O-N 3.16Å; D455-I458 PolarHBondContact O-N 3.39Å; I458-G460 VanDerWaalsContact C-N 3.29Å
459	T	90.1	Very high	94.4	Very high	60 Å²	60	37 Å²	37	37%	0.368	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.2	175.4	40.2	0	0	0	0	114.3	D455 T456 E457	D455-T459 PolarHBondContact O-N 3.18Å; D455-T459 PolarHBondContact O-OG1 3.21Å; T456-T459 WeakPolarHBondContact CA-OG1 3.31Å; T456-T459 PolarHBondContact O-N 3.18Å; T456-T459 PolarHBondContact O-OG1 3.26Å; E457-T459 PolarHBondContact O-N 3.5Å
460	G	88.4	Confident	94.2	Very high	53 Å²	53	38.2 Å²	38.2	55%	0.546	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	5	177.9	0	0	0	0	0	115.2	T456 E457 I458 W462	T456-G460 PolarHBondContact O-N 3.2Å; E457-G460 PolarHBondContact O-N 3.22Å; I458-G460 VanDerWaalsContact C-N 3.29Å; G460-W462 VanDerWaalsContact C-N 3.29Å; G460-W462 PolarHBondContact O-N 3.26Å; G460-W462 VanDerWaalsContact O-N 3.09Å
461	E	92.1	Very high	94.2	Very high	87 Å²	87	37.6 Å²	37.6	41%	0.407	21%	0.211	S	C	.	.			trans	-85.3	69.9	176.2	-68.3	-179	-139	0	0	110	T456 D463 Q464 A465	T456-E461 HydrophobicContact CG2-CB 3.73Å; T456-E461 WeakPolarHBondContact CG2-O 3.31Å; T456-E461 PolarHBondContact O-N 2.85Å; E461-D463 VanDerWaalsContact C-N 3.32Å; E461-D463 PolarHBondContact O-N 2.96Å; E461-Q464 HydrophobicContact CB-CB 4.43Å; E461-Q464 PolarHBondContact O-N 3.45Å; E461-Q464 PolarHBondContact OE2-OE1 3.38Å; E461-A465 WeakPolarHBondContact O-CB 3.38Å; E461-A465 PolarHBondContact O-N 2.95Å
462	W	93.2	Very high	94.2	Very high	38 Å²	38	35.3 Å²	35.3	14%	0.144	20%	0.203	C	C	.	.	H	α-helix	trans	-62.5	-35	-172.2	60.7	-91.2	0	0	0	113.5	G460 A465 V466 L482 E485 D500 L501 V504	G460-W462 VanDerWaalsContact C-N 3.29Å; G460-W462 PolarHBondContact O-N 3.26Å; G460-W462 VanDerWaalsContact O-N 3.09Å; W462-A465 PolarHBondContact O-N 2.9Å; W462-V466 VanDerWaalsContact O-CG2 3.23Å; W462-V466 WeakPolarHBondContact O-CG2 3.48Å; W462-V466 PolarHBondContact O-N 3.25Å; W462-L482 HydrophobicContact CE3-CD2 4.45Å; W462-L482 HydrophobicContact CZ3-CD2 4.38Å; W462-E485 HydrophobicContact CB-CG 3.92Å; W462-E485 HydrophobicContact CG-CG 4.09Å; W462-D500 HydrophobicContact CH2-CB 4.37Å; W462-L501 HydrophobicContact CD2-CD2 3.96Å; W462-L501 HydrophobicContact CE3-CD2 3.55Å; W462-L501 HydrophobicContact CH2-CD2 3.54Å; W462-L501 HydrophobicContact CH2-CG 3.81Å; W462-L501 HydrophobicContact CZ2-CD2 3.93Å; W462-L501 HydrophobicContact CZ2-CG 4.06Å; W462-L501 HydrophobicContact CZ3-CD2 3.35Å; W462-L501 HydrophobicContact CZ3-CG 4.13Å; W462-V504 HydrophobicContact CH2-CG2 4.2Å; W462-V504 HydrophobicContact CZ3-CB 4.17Å; W462-V504 HydrophobicContact CZ3-CG1 4.32Å; W462-V504 HydrophobicContact CZ3-CG2 3.98Å
463	D	91.7	Very high	94	Very high	90 Å²	90	39.7 Å²	39.7	48%	0.481	23%	0.234	S	C	.	.	H	α-helix	trans	-67.2	-47.9	-178.2	64.6	-39.1	0	0	0	110.9	E461 V466 G467	E461-D463 VanDerWaalsContact C-N 3.32Å; E461-D463 PolarHBondContact O-N 2.96Å; D463-V466 PolarHBondContact O-N 3.41Å; D463-G467 PolarHBondContact O-N 3.45Å
464	Q	93.1	Very high	93.9	Very high	61 Å²	61	43.1 Å²	43.1	29%	0.285	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-42.7	174.9	-168.5	-173.7	58.6	0	0	110.8	T420 T456 E461 V466 G467 L468	T420-Q464 PolarHBondContact OG1-NE2 3.33Å; T456-Q464 HydrophobicContact CG2-CB 3.92Å; T456-Q464 HydrophobicContact CG2-CG 4.14Å; E461-Q464 HydrophobicContact CB-CB 4.43Å; E461-Q464 PolarHBondContact O-N 3.45Å; E461-Q464 PolarHBondContact OE2-OE1 3.38Å; Q464-V466 VanDerWaalsContact C-N 3.34Å; Q464-V466 PolarHBondContact O-N 3.49Å; Q464-G467 PolarHBondContact O-N 3.27Å; Q464-L468 HydrophobicContact CG-CD1 4.15Å; Q464-L468 HydrophobicContact CG-CG 4.42Å; Q464-L468 VanDerWaalsContact O-CG 3.32Å; Q464-L468 WeakPolarHBondContact O-CG 3.43Å; Q464-L468 PolarHBondContact O-N 3.14Å
465	A	95.9	Very high	93.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-40.8	178.3	0	0	0	0	0	112.6	T456 E457 E461 W462 L468 Y469 L481	T456-A465 HydrophobicContact CG2-CB 4.07Å; E457-A465 HydrophobicContact CB-CB 4Å; E461-A465 WeakPolarHBondContact O-CB 3.38Å; E461-A465 PolarHBondContact O-N 2.95Å; W462-A465 PolarHBondContact O-N 2.9Å; A465-L468 PolarHBondContact O-N 3.01Å; A465-Y469 WeakPolarHBondContact O-CD2 3.47Å; A465-Y469 PolarHBondContact O-N 3.02Å; A465-L481 HydrophobicContact CB-CD2 3.72Å
466	V	95.5	Very high	94	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-46.6	174.2	167	0	0	0	0	111.3	W462 D463 Q464 L468 Y469 L470 A478 L481 L482 V504	W462-V466 VanDerWaalsContact O-CG2 3.23Å; W462-V466 WeakPolarHBondContact O-CG2 3.48Å; W462-V466 PolarHBondContact O-N 3.25Å; D463-V466 PolarHBondContact O-N 3.41Å; Q464-V466 VanDerWaalsContact C-N 3.34Å; Q464-V466 PolarHBondContact O-N 3.49Å; V466-L468 VanDerWaalsContact C-N 3.32Å; V466-L468 PolarHBondContact O-N 2.93Å; V466-Y469 PolarHBondContact O-N 3.23Å; V466-L470 WeakPolarHBondContact O-CG 3.49Å; V466-L470 PolarHBondContact O-N 2.84Å; V466-A478 HydrophobicContact CG1-CB 4.13Å; V466-L481 HydrophobicContact CG2-CD2 3.92Å; V466-L481 HydrophobicContact CG2-CG 4.22Å; V466-L482 HydrophobicContact CG1-CD1 4.02Å; V466-L482 HydrophobicContact CG1-CD2 4.49Å; V466-L482 HydrophobicContact CG1-CG 4.24Å; V466-L482 HydrophobicContact CG2-CD1 4.34Å; V466-L482 HydrophobicContact CG2-CD2 3.84Å; V466-L482 HydrophobicContact CG2-CG 3.67Å; V466-V504 HydrophobicContact CG1-CG1 3.99Å
467	G	93.9	Very high	94	Very high	34 Å²	34	44.9 Å²	44.9	35%	0.351	26%	0.256	S	S	.	.	H	α-helix	trans	-59.1	-42.6	175.7	0	0	0	0	0	112.4	D463 Q464 L470 L471	D463-G467 PolarHBondContact O-N 3.45Å; Q464-G467 PolarHBondContact O-N 3.27Å; G467-L470 PolarHBondContact O-N 3.47Å; G467-L471 WeakPolarHBondContact O-CB 3.42Å; G467-L471 PolarHBondContact O-N 2.95Å
468	L	96.1	Very high	94.1	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-38.4	178.1	-69.1	172.8	0	0	0	112.9	T420 L424 I449 V452 A453 T456 Q464 A465 V466 L470 L471 A472	T420-L468 HydrophobicContact CG2-CD2 3.69Å; L424-L468 HydrophobicContact CD1-CD2 3.51Å; I449-L468 HydrophobicContact CG2-CD2 4.43Å; I449-L468 WeakPolarHBondContact CG2-O 3.26Å; V452-L468 HydrophobicContact CG1-CD1 4.06Å; A453-L468 HydrophobicContact CB-CB 3.52Å; T456-L468 HydrophobicContact CG2-CD1 4.29Å; Q464-L468 HydrophobicContact CG-CD1 4.15Å; Q464-L468 HydrophobicContact CG-CG 4.42Å; Q464-L468 VanDerWaalsContact O-CG 3.32Å; Q464-L468 WeakPolarHBondContact O-CG 3.43Å; Q464-L468 PolarHBondContact O-N 3.14Å; A465-L468 PolarHBondContact O-N 3.01Å; V466-L468 VanDerWaalsContact C-N 3.32Å; V466-L468 PolarHBondContact O-N 2.93Å; L468-L470 VanDerWaalsContact C-N 3.34Å; L468-L471 HydrophobicContact CD2-CD2 4.23Å; L468-L471 WeakPolarHBondContact O-CB 3.37Å; L468-L471 PolarHBondContact O-N 3.37Å; L468-A472 WeakPolarHBondContact O-CB 3.36Å; L468-A472 PolarHBondContact O-N 2.8Å
469	Y	96.5	Very high	94.3	Very high	11 Å²	11	35 Å²	35	4%	0.043	21%	0.207	C	C	.	.	H	α-helix	trans	-65.1	-37.7	173.8	-79.4	-51.9	0	0	0	112.4	A453 S454 E457 A465 V466 A472 S473 K474 N477 L481	A453-Y469 HydrophobicContact CB-CD1 3.59Å; A453-Y469 HydrophobicContact CB-CD2 4.18Å; A453-Y469 HydrophobicContact CB-CE1 3.59Å; A453-Y469 HydrophobicContact CB-CE2 4.2Å; A453-Y469 HydrophobicContact CB-CG 3.88Å; S454-Y469 WeakPolarHBondContact CA-OH 3.27Å; E457-Y469 WeakPolarHBondContact OE2-CE2 3.26Å; E457-Y469 PolarHBondContact OE2-OH 3.16Å; A465-Y469 WeakPolarHBondContact O-CD2 3.47Å; A465-Y469 PolarHBondContact O-N 3.02Å; V466-Y469 PolarHBondContact O-N 3.23Å; Y469-A472 PolarHBondContact O-N 3.22Å; Y469-S473 PolarHBondContact O-N 3.34Å; Y469-K474 HydrophobicContact CD1-CB 4.44Å; Y469-K474 CarbonylContact O-C 3.55Å; Y469-K474 PolarHBondContact O-N 3.4Å; Y469-N477 HydrophobicContact CD1-CB 3.62Å; Y469-N477 HydrophobicContact CD2-CB 4.15Å; Y469-N477 HydrophobicContact CE1-CB 3.73Å; Y469-N477 HydrophobicContact CE2-CB 4.23Å; Y469-N477 HydrophobicContact CG-CB 3.85Å; Y469-L481 HydrophobicContact CD2-CD2 4.41Å; Y469-L481 HydrophobicContact CE2-CD2 4.16Å
470	L	94.6	Very high	94.6	Very high	26 Å²	26	36.1 Å²	36.1	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-43.4	171.4	-72.3	176.7	0	0	0	111.4	L427 V466 G467 L468 A472 S473 P475 A478 F508 V511 Q512	L427-L470 HydrophobicContact CD2-CB 3.91Å; L427-L470 HydrophobicContact CD2-CD1 4.33Å; V466-L470 WeakPolarHBondContact O-CG 3.49Å; V466-L470 PolarHBondContact O-N 2.84Å; G467-L470 PolarHBondContact O-N 3.47Å; L468-L470 VanDerWaalsContact C-N 3.34Å; L470-A472 VanDerWaalsContact C-N 3.27Å; L470-A472 PolarHBondContact O-N 2.96Å; L470-S473 PolarHBondContact O-N 2.97Å; L470-P475 HydrophobicContact CD2-CB 4.01Å; L470-A478 HydrophobicContact CG-CB 4.47Å; L470-F508 HydrophobicContact CD1-CD2 4.04Å; L470-F508 HydrophobicContact CD2-CD2 3.65Å; L470-F508 HydrophobicContact CD2-CE2 3.65Å; L470-F508 HydrophobicContact CG-CD2 4.1Å; L470-F508 HydrophobicContact CG-CE2 4.45Å; L470-V511 HydrophobicContact CD1-CG1 4.42Å; L470-Q512 HydrophobicContact CD2-CB 4.33Å
471	L	95	Very high	95	Very high	9 Å²	9	34.1 Å²	34.1	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-36.4	176.4	-167.6	70.6	0	0	0	112.1	L424 G425 L427 R433 I449 G467 L468 S473	L424-L471 HydrophobicContact CB-CD2 3.92Å; G425-L471 WeakPolarHBondContact O-CD2 3.49Å; L427-L471 HydrophobicContact CB-CD1 4.37Å; L427-L471 HydrophobicContact CD1-CD1 4.4Å; R433-L471 HydrophobicContact CB-CD1 4.04Å; R433-L471 HydrophobicContact CG-CD1 3.55Å; R433-L471 HydrophobicContact CG-CG 4.34Å; I449-L471 HydrophobicContact CD1-CD2 4.44Å; I449-L471 HydrophobicContact CD1-CG 4.3Å; I449-L471 HydrophobicContact CG2-CB 4.05Å; I449-L471 HydrophobicContact CG2-CD2 3.95Å; I449-L471 HydrophobicContact CG2-CG 4.14Å; G467-L471 WeakPolarHBondContact O-CB 3.42Å; G467-L471 PolarHBondContact O-N 2.95Å; L468-L471 HydrophobicContact CD2-CD2 4.23Å; L468-L471 WeakPolarHBondContact O-CB 3.37Å; L468-L471 PolarHBondContact O-N 3.37Å; L471-S473 PolarHBondContact O-N 3.42Å
472	A	94.9	Very high	95.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	3.5	174.9	0	0	0	0	0	114.3	S446 I449 C450 L468 Y469 L470 K474	S446-A472 WeakPolarHBondContact CB-O 3.45Å; I449-A472 HydrophobicContact CB-CB 3.91Å; I449-A472 HydrophobicContact CG2-CB 3.78Å; C450-A472 HydrophobicContact CB-CB 4.06Å; L468-A472 WeakPolarHBondContact O-CB 3.36Å; L468-A472 PolarHBondContact O-N 2.8Å; Y469-A472 PolarHBondContact O-N 3.22Å; L470-A472 VanDerWaalsContact C-N 3.27Å; L470-A472 PolarHBondContact O-N 2.96Å; A472-K474 HydrophobicContact CB-CG 4.17Å; A472-K474 PolarHBondContact O-N 2.75Å
473	S	93.3	Very high	95.4	Very high	92 Å²	92	28.2 Å²	28.2	64%	0.643	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	33.8	-173.2	-55.9	0	0	0	0	113.6	Y469 L470 L471 P475	Y469-S473 PolarHBondContact O-N 3.34Å; L470-S473 PolarHBondContact O-N 2.97Å; L471-S473 PolarHBondContact O-N 3.42Å; S473-P475 VanDerWaalsContact O-CD 3.26Å; S473-P475 WeakPolarHBondContact O-CD 3.25Å
474	K	94.8	Very high	95.5	Very high	71 Å²	71	25.4 Å²	25.4	31%	0.309	15%	0.148	S	C	.	.			trans	-116.3	60.8	175.5	-55.4	-69.4	-177.8	164.6	0	110.8	E447 Y469 A472 T476 N477	E447-K474 IonicContact OE1-NZ 2.64Å; E447-K474 PolarHBondContact OE1-NZ 3.5Å; Y469-K474 HydrophobicContact CD1-CB 4.44Å; Y469-K474 CarbonylContact O-C 3.55Å; Y469-K474 PolarHBondContact O-N 3.4Å; A472-K474 HydrophobicContact CB-CG 4.17Å; A472-K474 PolarHBondContact O-N 2.75Å; K474-T476 PolarHBondContact O-N 2.92Å; K474-T476 VanDerWaalsContact O-N 3.17Å; K474-N477 PolarHBondContact O-N 2.75Å; K474-N477 VanDerWaalsContact O-N 3.13Å
475	P	95.1	Very high	95.6	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.058	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-25.2	-174.7	28.5	-38	0	0	0	113.6	L470 S473 N477 A478 A479 F508 Q512 R513 C515	L470-P475 HydrophobicContact CD2-CB 4.01Å; S473-P475 VanDerWaalsContact O-CD 3.26Å; S473-P475 WeakPolarHBondContact O-CD 3.25Å; P475-N477 VanDerWaalsContact C-N 3.33Å; P475-N477 PolarHBondContact O-N 3.15Å; P475-A478 WeakPolarHBondContact O-CB 3.47Å; P475-A478 PolarHBondContact O-N 2.64Å; P475-A479 PolarHBondContact O-N 3.1Å; P475-F508 HydrophobicContact CB-CE2 3.97Å; P475-F508 HydrophobicContact CB-CZ 4.13Å; P475-F508 WeakPolarHBondContact O-CE2 3.4Å; P475-F508 WeakPolarHBondContact O-CZ 3.47Å; P475-Q512 HydrophobicContact CB-CB 4.08Å; P475-R513 WeakPolarHBondContact CG-O 3.12Å; P475-C515 HydrophobicContact CB-CB 4.13Å; P475-C515 HydrophobicContact CG-CB 4.22Å
476	T	96.8	Very high	95.6	Very high	23 Å²	23	24.3 Å²	24.3	14%	0.141	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-40.8	175.8	-53.8	0	0	0	0	111.7	K474 A479 I480 Q516 E519	K474-T476 PolarHBondContact O-N 2.92Å; K474-T476 VanDerWaalsContact O-N 3.17Å; T476-A479 PolarHBondContact O-N 2.82Å; T476-I480 HydrophobicContact CG2-CD1 4.15Å; T476-I480 WeakPolarHBondContact O-CG1 3.4Å; T476-I480 PolarHBondContact O-N 2.81Å; T476-Q516 HydrophobicContact CG2-CB 4.01Å; T476-Q516 HydrophobicContact CG2-CG 3.92Å; T476-Q516 PolarHBondContact OG1-N 3.29Å; T476-E519 HydrophobicContact CG2-CB 4.34Å; T476-E519 HydrophobicContact CG2-CG 3.82Å
477	N	96.6	Very high	95.6	Very high	64 Å²	64	24.1 Å²	24.1	34%	0.342	14%	0.142	S	C	.	.	H	α-helix	trans	-66.7	-41.8	178	-67.3	11.5	0	0	0	110.9	Y469 K474 P475 A479 I480 L481	Y469-N477 HydrophobicContact CD1-CB 3.62Å; Y469-N477 HydrophobicContact CD2-CB 4.15Å; Y469-N477 HydrophobicContact CE1-CB 3.73Å; Y469-N477 HydrophobicContact CE2-CB 4.23Å; Y469-N477 HydrophobicContact CG-CB 3.85Å; K474-N477 PolarHBondContact O-N 2.75Å; K474-N477 VanDerWaalsContact O-N 3.13Å; P475-N477 VanDerWaalsContact C-N 3.33Å; P475-N477 PolarHBondContact O-N 3.15Å; N477-A479 VanDerWaalsContact C-N 3.34Å; N477-A479 PolarHBondContact O-N 3.43Å; N477-I480 PolarHBondContact O-N 2.71Å; N477-L481 WeakPolarHBondContact O-CB 3.49Å; N477-L481 PolarHBondContact O-N 3.37Å
478	A	96.4	Very high	95.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-42.7	172.5	0	0	0	0	0	112.4	V466 L470 P475 L481 L482 F508	V466-A478 HydrophobicContact CG1-CB 4.13Å; L470-A478 HydrophobicContact CG-CB 4.47Å; P475-A478 WeakPolarHBondContact O-CB 3.47Å; P475-A478 PolarHBondContact O-N 2.64Å; A478-L481 PolarHBondContact O-N 3.33Å; A478-L482 WeakPolarHBondContact O-CB 3.43Å; A478-L482 WeakPolarHBondContact O-CG 3.45Å; A478-L482 PolarHBondContact O-N 3.39Å; A478-F508 HydrophobicContact CB-CD2 4.01Å; A478-F508 HydrophobicContact CB-CE2 3.68Å
479	A	96.8	Very high	95.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-40	178.1	0	0	0	0	0	112.6	P475 T476 N477 S483 F508 E519 L523	P475-A479 PolarHBondContact O-N 3.1Å; T476-A479 PolarHBondContact O-N 2.82Å; N477-A479 VanDerWaalsContact C-N 3.34Å; N477-A479 PolarHBondContact O-N 3.43Å; A479-S483 WeakPolarHBondContact O-CB 3.46Å; A479-S483 PolarHBondContact O-N 3.1Å; A479-S483 PolarHBondContact O-OG 3.49Å; A479-F508 HydrophobicContact CB-CE1 4.18Å; A479-F508 HydrophobicContact CB-CZ 3.81Å; A479-E519 HydrophobicContact CB-CB 4.16Å; A479-L523 HydrophobicContact CB-CD2 4.27Å
480	I	96.5	Very high	95.2	Very high	82 Å²	82	26.4 Å²	26.4	42%	0.421	14%	0.144	S	C	.	.	H	α-helix	trans	-63.8	-46.4	176.1	-68.7	165.3	0	0	0	110.3	T476 N477 S483 S484 E519	T476-I480 HydrophobicContact CG2-CD1 4.15Å; T476-I480 WeakPolarHBondContact O-CG1 3.4Å; T476-I480 PolarHBondContact O-N 2.81Å; N477-I480 PolarHBondContact O-N 2.71Å; I480-S483 PolarHBondContact O-N 3.22Å; I480-S484 PolarHBondContact O-N 3.19Å; I480-E519 HydrophobicContact CD1-CG 4.33Å; I480-E519 HydrophobicContact CG1-CG 4.02Å
481	L	96.5	Very high	94.9	Very high	11 Å²	11	29.2 Å²	29.2	6%	0.058	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-52.3	178.3	177.6	55.8	0	0	0	111.4	E457 A465 V466 Y469 N477 A478 S483 S484 E485	E457-L481 HydrophobicContact CB-CD2 4.49Å; E457-L481 HydrophobicContact CG-CD1 3.93Å; E457-L481 HydrophobicContact CG-CD2 4.1Å; A465-L481 HydrophobicContact CB-CD2 3.72Å; V466-L481 HydrophobicContact CG2-CD2 3.92Å; V466-L481 HydrophobicContact CG2-CG 4.22Å; Y469-L481 HydrophobicContact CD2-CD2 4.41Å; Y469-L481 HydrophobicContact CE2-CD2 4.16Å; N477-L481 WeakPolarHBondContact O-CB 3.49Å; N477-L481 PolarHBondContact O-N 3.37Å; A478-L481 PolarHBondContact O-N 3.33Å; L481-S483 VanDerWaalsContact C-N 3.3Å; L481-S483 PolarHBondContact O-N 2.96Å; L481-S484 PolarHBondContact O-N 3.12Å; L481-S484 VanDerWaalsContact O-N 3.1Å; L481-E485 HydrophobicContact CD1-CG 4.18Å; L481-E485 PolarHBondContact O-N 2.85Å
482	L	96.2	Very high	94.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.6	-42.6	176.2	-76.2	171.9	0	0	0	112.1	W462 V466 A478 S484 E485 I486 L501 V504 A505 F508 L523	W462-L482 HydrophobicContact CE3-CD2 4.45Å; W462-L482 HydrophobicContact CZ3-CD2 4.38Å; V466-L482 HydrophobicContact CG1-CD1 4.02Å; V466-L482 HydrophobicContact CG1-CD2 4.49Å; V466-L482 HydrophobicContact CG1-CG 4.24Å; V466-L482 HydrophobicContact CG2-CD1 4.34Å; V466-L482 HydrophobicContact CG2-CD2 3.84Å; V466-L482 HydrophobicContact CG2-CG 3.67Å; A478-L482 WeakPolarHBondContact O-CB 3.43Å; A478-L482 WeakPolarHBondContact O-CG 3.45Å; A478-L482 PolarHBondContact O-N 3.39Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 3.4Å; L482-E485 PolarHBondContact O-N 3.34Å; L482-I486 WeakPolarHBondContact O-CB 3.16Å; L482-I486 VanDerWaalsContact O-CG1 3.26Å; L482-I486 WeakPolarHBondContact O-CG1 3.28Å; L482-I486 PolarHBondContact O-N 3.37Å; L482-L501 HydrophobicContact CD2-CD2 4.27Å; L482-V504 HydrophobicContact CD2-CB 4.43Å; L482-V504 HydrophobicContact CD2-CG1 3.96Å; L482-A505 HydrophobicContact CD1-CB 4.36Å; L482-F508 HydrophobicContact CD1-CB 3.95Å; L482-F508 HydrophobicContact CD1-CD2 4.28Å; L482-F508 HydrophobicContact CD1-CG 4Å; L482-L523 HydrophobicContact CB-CD1 3.66Å; L482-L523 HydrophobicContact CB-CD2 4.4Å; L482-L523 HydrophobicContact CD1-CD2 4.05Å
483	S	96.8	Very high	94.1	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-38.9	178	-63.9	0	0	0	0	111.7	A479 I480 L481 S487 L523 L526	A479-S483 WeakPolarHBondContact O-CB 3.46Å; A479-S483 PolarHBondContact O-N 3.1Å; A479-S483 PolarHBondContact O-OG 3.49Å; I480-S483 PolarHBondContact O-N 3.22Å; L481-S483 VanDerWaalsContact C-N 3.3Å; L481-S483 PolarHBondContact O-N 2.96Å; S483-S487 WeakPolarHBondContact O-CB 3.33Å; S483-S487 PolarHBondContact O-N 3.06Å; S483-S487 VanDerWaalsContact O-N 3.07Å; S483-L523 WeakPolarHBondContact OG-CA 3.25Å; S483-L526 VanDerWaalsContact O-CD1 3.32Å; S483-L526 WeakPolarHBondContact O-CD1 3.47Å
484	S	95.3	Very high	93.7	Very high	31 Å²	31	36.8 Å²	36.8	22%	0.217	19%	0.186	C	C	.	.	H	α-helix	trans	-66.9	-47.6	176.3	-163	0	0	0	0	111.5	I480 L481 L482 S487 E488 K574	I480-S484 PolarHBondContact O-N 3.19Å; L481-S484 PolarHBondContact O-N 3.12Å; L481-S484 VanDerWaalsContact O-N 3.1Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 3.4Å; S484-S487 PolarHBondContact O-N 3.06Å; S484-E488 WeakPolarHBondContact O-CB 3.38Å; S484-E488 PolarHBondContact O-N 3.4Å; S484-K574 PolarHBondContact OG-NZ 3.26Å
485	E	94.9	Very high	92.9	Very high	34 Å²	34	38 Å²	38	16%	0.159	19%	0.192	C	C	.	.	H	α-helix	trans	-64.5	-42.8	-179.5	-72.7	-60.9	138.4	0	0	112.7	W462 L481 L482 T489 K497 L501	W462-E485 HydrophobicContact CB-CG 3.92Å; W462-E485 HydrophobicContact CG-CG 4.09Å; L481-E485 HydrophobicContact CD1-CG 4.18Å; L481-E485 PolarHBondContact O-N 2.85Å; L482-E485 PolarHBondContact O-N 3.34Å; E485-T489 VanDerWaalsContact O-CB 3.23Å; E485-T489 WeakPolarHBondContact O-CB 3.42Å; E485-T489 PolarHBondContact O-N 3.2Å; E485-T489 PolarHBondContact O-OG1 2.91Å; E485-K497 WeakPolarHBondContact OE2-CE 3.39Å; E485-K497 IonicContact OE2-NZ 3.17Å; E485-K497 PolarHBondContact OE2-NZ 3.49Å; E485-L501 HydrophobicContact CB-CD1 4.18Å; E485-L501 HydrophobicContact CB-CD2 3.59Å; E485-L501 HydrophobicContact CG-CD2 4.49Å
486	I	95	Very high	92.3	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-47.1	175.5	-68.2	166.5	0	0	0	110.3	L482 E488 T489 L490 L501 A505 L523 L526 V527 A530	L482-I486 WeakPolarHBondContact O-CB 3.16Å; L482-I486 VanDerWaalsContact O-CG1 3.26Å; L482-I486 WeakPolarHBondContact O-CG1 3.28Å; L482-I486 PolarHBondContact O-N 3.37Å; I486-E488 VanDerWaalsContact C-N 3.34Å; I486-E488 PolarHBondContact O-N 3.21Å; I486-T489 PolarHBondContact O-N 3.34Å; I486-L490 HydrophobicContact CG2-CD1 3.63Å; I486-L490 HydrophobicContact CG2-CG 4.2Å; I486-L490 WeakPolarHBondContact O-CB 3.15Å; I486-L490 VanDerWaalsContact O-CG 3.29Å; I486-L490 WeakPolarHBondContact O-CG 3.17Å; I486-L490 PolarHBondContact O-N 3.27Å; I486-L501 HydrophobicContact CG1-CB 3.82Å; I486-L501 HydrophobicContact CG1-CD1 4.21Å; I486-L501 HydrophobicContact CG1-CD2 4.35Å; I486-L501 HydrophobicContact CG1-CG 4.38Å; I486-A505 HydrophobicContact CD1-CB 4.27Å; I486-L523 HydrophobicContact CD1-CD1 3.75Å; I486-L526 HydrophobicContact CB-CB 4.48Å; I486-L526 HydrophobicContact CG2-CB 3.9Å; I486-V527 HydrophobicContact CD1-CG2 4.02Å; I486-A530 HydrophobicContact CG2-CB 4.45Å
487	S	94.9	Very high	91.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-44.5	-179.7	-177.1	0	0	0	0	111.7	S483 S484 R491 K574 V578	S483-S487 WeakPolarHBondContact O-CB 3.33Å; S483-S487 PolarHBondContact O-N 3.06Å; S483-S487 VanDerWaalsContact O-N 3.07Å; S484-S487 PolarHBondContact O-N 3.06Å; S487-R491 WeakPolarHBondContact O-CG 3.47Å; S487-R491 PolarHBondContact O-N 2.67Å; S487-R491 PolarHBondContact OG-NH1 3.37Å; S487-K574 PolarHBondContact OG-O 2.79Å; S487-V578 WeakPolarHBondContact OG-CG2 3.3Å
488	E	93.4	Very high	91.6	Very high	96 Å²	96	44.3 Å²	44.3	45%	0.449	22%	0.216	S	C	.	.	H	α-helix	trans	-69.6	-41.2	177.7	-174.3	169.9	175.2	0	0	113.1	S484 I486 L490 R491 T492	S484-E488 WeakPolarHBondContact O-CB 3.38Å; S484-E488 PolarHBondContact O-N 3.4Å; I486-E488 VanDerWaalsContact C-N 3.34Å; I486-E488 PolarHBondContact O-N 3.21Å; E488-L490 PolarHBondContact O-N 2.92Å; E488-R491 PolarHBondContact O-N 2.74Å; E488-T492 PolarHBondContact O-N 2.9Å; E488-T492 PolarHBondContact O-OG1 3.31Å; E488-T492 VanDerWaalsContact O-OG1 3.05Å
489	T	92.8	Very high	91.3	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-68.7	-35.8	-178.9	-52.4	0	0	0	0	111.7	E485 I486 R491 T492 E493 N494 K497 I498 L501	E485-T489 VanDerWaalsContact O-CB 3.23Å; E485-T489 WeakPolarHBondContact O-CB 3.42Å; E485-T489 PolarHBondContact O-N 3.2Å; E485-T489 PolarHBondContact O-OG1 2.91Å; I486-T489 PolarHBondContact O-N 3.34Å; T489-R491 VanDerWaalsContact C-N 3.34Å; T489-R491 PolarHBondContact O-N 3.31Å; T489-T492 WeakPolarHBondContact CA-OG1 3.44Å; T489-T492 PolarHBondContact O-N 2.84Å; T489-T492 PolarHBondContact O-OG1 3.36Å; T489-E493 PolarHBondContact O-N 2.85Å; T489-N494 HydrophobicContact CG2-CB 3.89Å; T489-K497 HydrophobicContact CG2-CB 3.75Å; T489-K497 HydrophobicContact CG2-CD 3.9Å; T489-K497 HydrophobicContact CG2-CG 3.85Å; T489-I498 HydrophobicContact CG2-CD1 4.41Å; T489-I498 HydrophobicContact CG2-CG1 3.61Å; T489-L501 HydrophobicContact CG2-CD1 4.24Å; T489-L501 WeakPolarHBondContact OG1-CD1 3.33Å
490	L	92.3	Very high	91	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-38.6	174.7	-74.5	170.1	0	0	0	112.4	I486 E488 T492 E493 I498 A530 F533 V578	I486-L490 HydrophobicContact CG2-CD1 3.63Å; I486-L490 HydrophobicContact CG2-CG 4.2Å; I486-L490 WeakPolarHBondContact O-CB 3.15Å; I486-L490 VanDerWaalsContact O-CG 3.29Å; I486-L490 WeakPolarHBondContact O-CG 3.17Å; I486-L490 PolarHBondContact O-N 3.27Å; E488-L490 PolarHBondContact O-N 2.92Å; L490-T492 VanDerWaalsContact C-N 3.31Å; L490-T492 PolarHBondContact O-N 3.17Å; L490-E493 PolarHBondContact O-N 3.01Å; L490-I498 HydrophobicContact CD2-CD1 3.78Å; L490-I498 HydrophobicContact CD2-CG1 4.24Å; L490-I498 HydrophobicContact CD2-CG2 4.48Å; L490-A530 HydrophobicContact CD1-CB 4.27Å; L490-A530 HydrophobicContact CD2-CB 4.11Å; L490-F533 HydrophobicContact CD2-CB 3.86Å; L490-F533 HydrophobicContact CD2-CD1 3.97Å; L490-F533 HydrophobicContact CD2-CD2 4.29Å; L490-F533 HydrophobicContact CD2-CG 3.81Å; L490-V578 HydrophobicContact CB-CG1 3.83Å; L490-V578 HydrophobicContact CB-CG2 4.39Å; L490-V578 HydrophobicContact CD1-CG1 3.78Å; L490-V578 HydrophobicContact CD1-CG2 4.42Å; L490-V578 HydrophobicContact CG-CG1 4.41Å
491	R	89.6	Confident	90.8	Very high	85 Å²	85	47.9 Å²	47.9	32%	0.321	24%	0.244	S	C	.	.	H	α-helix	trans	-71.1	-25.3	176.4	-66.8	-170.4	-55.7	-103.3	4.6	113.7	S487 E488 T489 E577	S487-R491 WeakPolarHBondContact O-CG 3.47Å; S487-R491 PolarHBondContact O-N 2.67Å; S487-R491 PolarHBondContact OG-NH1 3.37Å; E488-R491 PolarHBondContact O-N 2.74Å; T489-R491 VanDerWaalsContact C-N 3.34Å; T489-R491 PolarHBondContact O-N 3.31Å; R491-E577 WeakPolarHBondContact CD-O 3.23Å; R491-E577 IonicContact CZ-OE2 2.95Å; R491-E577 VanDerWaalsContact NH1-CB 3.34Å; R491-E577 IonicContact NH1-OE2 3.74Å; R491-E577 PolarHBondContact NH1-OE2 3.34Å
492	T	88.7	Confident	90.6	Very high	93 Å²	93	48.7 Å²	48.7	57%	0.571	25%	0.25	S	C	*	.	H	α-helix	trans	-95.8	-0.7	179.4	53.4	0	0	0	0	113.4	E488 T489 L490 N494	E488-T492 PolarHBondContact O-N 2.9Å; E488-T492 PolarHBondContact O-OG1 3.31Å; E488-T492 VanDerWaalsContact O-OG1 3.05Å; T489-T492 WeakPolarHBondContact CA-OG1 3.44Å; T489-T492 PolarHBondContact O-N 2.84Å; T489-T492 PolarHBondContact O-OG1 3.36Å; L490-T492 VanDerWaalsContact C-N 3.31Å; L490-T492 PolarHBondContact O-N 3.17Å; T492-N494 VanDerWaalsContact C-N 3.26Å; T492-N494 PolarHBondContact O-N 3Å
493	E	83.4	Confident	90.4	Very high	93 Å²	93	54 Å²	54	44%	0.435	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	20.8	176.3	-53.9	-175.6	-171.8	0	0	116.3	T489 L490 K495 F533 R537 H585	T489-E493 PolarHBondContact O-N 2.85Å; L490-E493 PolarHBondContact O-N 3.01Å; E493-K495 PolarHBondContact O-N 2.95Å; E493-K495 VanDerWaalsContact O-N 3.11Å; E493-F533 HydrophobicContact CB-CZ 4.19Å; E493-F533 HydrophobicContact CG-CZ 4.07Å; E493-R537 PolarHBondContact O-NH1 3.42Å; E493-H585 IonicContact OE1-CE1 3.84Å; E493-H585 PolarHBondContact OE1-CE1 2.8Å; E493-H585 IonicContact OE1-NE2 2.66Å; E493-H585 PolarHBondContact OE1-NE2 3.32Å; E493-H585 IonicContact OE2-NE2 3.32Å
494	N	84.9	Confident	90.3	Very high	74 Å²	74	55.2 Å²	55.2	40%	0.396	28%	0.282	S	S	.	.			trans	-74.5	102.3	-179	-175.3	-17.5	0	0	0	112.1	T489 T492 E496 K497 I498	T489-N494 HydrophobicContact CG2-CB 3.89Å; T492-N494 VanDerWaalsContact C-N 3.26Å; T492-N494 PolarHBondContact O-N 3Å; N494-E496 PolarHBondContact OD1-N 3.38Å; N494-K497 HydrophobicContact CB-CB 4.34Å; N494-K497 PolarHBondContact OD1-N 3.34Å; N494-I498 WeakPolarHBondContact O-CD1 3.47Å; N494-I498 VanDerWaalsContact O-CG1 3.25Å; N494-I498 WeakPolarHBondContact O-CG1 3.11Å; N494-I498 PolarHBondContact O-N 3.46Å
495	K	78.4	Confident	90.2	Very high	97 Å²	97	53.8 Å²	53.8	42%	0.422	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-50.2	-173	-170	177.2	177.4	173.3	0	113.4	E493 K497 I498 A499	E493-K495 PolarHBondContact O-N 2.95Å; E493-K495 VanDerWaalsContact O-N 3.11Å; K495-K497 VanDerWaalsContact C-N 3.34Å; K495-K497 PolarHBondContact O-N 2.97Å; K495-I498 PolarHBondContact O-N 3.44Å; K495-A499 PolarHBondContact O-N 2.94Å
496	E	82.1	Confident	90.1	Very high	157 Å²	157	55.5 Å²	55.5	73%	0.734	28%	0.28	S	S	*	.	H	α-helix	trans	-63.2	-46.1	-172.5	-66	176	179.2	0	0	109.7	N494 I498 A499 D500	N494-E496 PolarHBondContact OD1-N 3.38Å; E496-I498 PolarHBondContact O-N 2.92Å; E496-A499 PolarHBondContact O-N 3.38Å; E496-D500 PolarHBondContact O-N 3.27Å
497	K	89.1	Confident	89.9	Confident	57 Å²	57	60.1 Å²	60.1	25%	0.248	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-33.4	178.7	-169.8	178.4	177.7	-165.2	0	113.3	E485 T489 N494 K495 L501	E485-K497 WeakPolarHBondContact OE2-CE 3.39Å; E485-K497 IonicContact OE2-NZ 3.17Å; E485-K497 PolarHBondContact OE2-NZ 3.49Å; T489-K497 HydrophobicContact CG2-CB 3.75Å; T489-K497 HydrophobicContact CG2-CD 3.9Å; T489-K497 HydrophobicContact CG2-CG 3.85Å; N494-K497 HydrophobicContact CB-CB 4.34Å; N494-K497 PolarHBondContact OD1-N 3.34Å; K495-K497 VanDerWaalsContact C-N 3.34Å; K495-K497 PolarHBondContact O-N 2.97Å; K497-L501 HydrophobicContact CG-CD1 3.98Å; K497-L501 HydrophobicContact CG-CG 4.41Å; K497-L501 WeakPolarHBondContact O-CB 3.28Å; K497-L501 WeakPolarHBondContact O-CD1 3.39Å; K497-L501 VanDerWaalsContact O-CG 3.29Å; K497-L501 WeakPolarHBondContact O-CG 3.32Å; K497-L501 PolarHBondContact O-N 3.49Å
498	I	89.3	Confident	89.8	Confident	14 Å²	14	60.2 Å²	60.2	7%	0.072	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-43.6	176.6	-69.7	162.2	0	0	0	111.1	T489 L490 N494 K495 E496 D500 L501 V502 A530 F533	T489-I498 HydrophobicContact CG2-CD1 4.41Å; T489-I498 HydrophobicContact CG2-CG1 3.61Å; L490-I498 HydrophobicContact CD2-CD1 3.78Å; L490-I498 HydrophobicContact CD2-CG1 4.24Å; L490-I498 HydrophobicContact CD2-CG2 4.48Å; N494-I498 WeakPolarHBondContact O-CD1 3.47Å; N494-I498 VanDerWaalsContact O-CG1 3.25Å; N494-I498 WeakPolarHBondContact O-CG1 3.11Å; N494-I498 PolarHBondContact O-N 3.46Å; K495-I498 PolarHBondContact O-N 3.44Å; E496-I498 PolarHBondContact O-N 2.92Å; I498-D500 VanDerWaalsContact C-N 3.33Å; I498-D500 PolarHBondContact O-N 2.88Å; I498-L501 PolarHBondContact O-N 2.97Å; I498-V502 HydrophobicContact CG2-CG2 4.28Å; I498-V502 WeakPolarHBondContact O-CB 3.35Å; I498-V502 VanDerWaalsContact O-CG2 3.32Å; I498-V502 WeakPolarHBondContact O-CG2 3.39Å; I498-V502 PolarHBondContact O-N 3.42Å; I498-A530 HydrophobicContact CG2-CB 3.91Å; I498-F533 HydrophobicContact CD1-CD1 3.76Å; I498-F533 HydrophobicContact CD1-CE1 3.58Å
499	A	89.5	Confident	89.7	Confident	60 Å²	60	57.3 Å²	57.3	50%	0.496	29%	0.287	S	S	.	.	H	α-helix	trans	-62.2	-43.3	-179.9	0	0	0	0	0	111.4	K495 E496 V502 H503	K495-A499 PolarHBondContact O-N 2.94Å; E496-A499 PolarHBondContact O-N 3.38Å; A499-V502 PolarHBondContact O-N 2.93Å; A499-H503 WeakPolarHBondContact O-CB 3.5Å; A499-H503 PolarHBondContact O-N 3.38Å
500	D	91.1	Very high	89.6	Confident	96 Å²	96	65.5 Å²	65.5	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-64.2	-45.6	176.8	-65	-23.5	0	0	0	111.7	W462 E496 I498 V502 H503 V504	W462-D500 HydrophobicContact CH2-CB 4.37Å; E496-D500 PolarHBondContact O-N 3.27Å; I498-D500 VanDerWaalsContact C-N 3.33Å; I498-D500 PolarHBondContact O-N 2.88Å; D500-V502 PolarHBondContact O-N 3.34Å; D500-H503 WeakPolarHBondContact O-CB 3.39Å; D500-H503 PolarHBondContact O-N 2.94Å; D500-V504 WeakPolarHBondContact O-CG2 3.1Å; D500-V504 PolarHBondContact O-N 3.04Å
501	L	92.8	Very high	89.5	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-61.5	-42.8	177.6	-78.7	165.7	0	0	0	112.6	W462 L482 E485 I486 T489 K497 I498 H503 V504 A505	W462-L501 HydrophobicContact CD2-CD2 3.96Å; W462-L501 HydrophobicContact CE3-CD2 3.55Å; W462-L501 HydrophobicContact CH2-CD2 3.54Å; W462-L501 HydrophobicContact CH2-CG 3.81Å; W462-L501 HydrophobicContact CZ2-CD2 3.93Å; W462-L501 HydrophobicContact CZ2-CG 4.06Å; W462-L501 HydrophobicContact CZ3-CD2 3.35Å; W462-L501 HydrophobicContact CZ3-CG 4.13Å; L482-L501 HydrophobicContact CD2-CD2 4.27Å; E485-L501 HydrophobicContact CB-CD1 4.18Å; E485-L501 HydrophobicContact CB-CD2 3.59Å; E485-L501 HydrophobicContact CG-CD2 4.49Å; I486-L501 HydrophobicContact CG1-CB 3.82Å; I486-L501 HydrophobicContact CG1-CD1 4.21Å; I486-L501 HydrophobicContact CG1-CD2 4.35Å; I486-L501 HydrophobicContact CG1-CG 4.38Å; T489-L501 HydrophobicContact CG2-CD1 4.24Å; T489-L501 WeakPolarHBondContact OG1-CD1 3.33Å; K497-L501 HydrophobicContact CG-CD1 3.98Å; K497-L501 HydrophobicContact CG-CG 4.41Å; K497-L501 WeakPolarHBondContact O-CB 3.28Å; K497-L501 WeakPolarHBondContact O-CD1 3.39Å; K497-L501 VanDerWaalsContact O-CG 3.29Å; K497-L501 WeakPolarHBondContact O-CG 3.32Å; K497-L501 PolarHBondContact O-N 3.49Å; I498-L501 PolarHBondContact O-N 2.97Å; L501-H503 VanDerWaalsContact C-N 3.33Å; L501-V504 PolarHBondContact O-N 3.25Å; L501-A505 VanDerWaalsContact O-CB 3.28Å; L501-A505 WeakPolarHBondContact O-CB 3.48Å; L501-A505 PolarHBondContact O-N 3Å
502	V	92.3	Very high	89.5	Confident	28 Å²	28	64.7 Å²	64.7	17%	0.17	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-41.6	175.6	169.8	0	0	0	0	110.4	I498 A499 D500 V504 A505 E506 V527 A530	I498-V502 HydrophobicContact CG2-CG2 4.28Å; I498-V502 WeakPolarHBondContact O-CB 3.35Å; I498-V502 VanDerWaalsContact O-CG2 3.32Å; I498-V502 WeakPolarHBondContact O-CG2 3.39Å; I498-V502 PolarHBondContact O-N 3.42Å; A499-V502 PolarHBondContact O-N 2.93Å; D500-V502 PolarHBondContact O-N 3.34Å; V502-V504 PolarHBondContact O-N 3.21Å; V502-A505 PolarHBondContact O-N 3.49Å; V502-E506 HydrophobicContact CG1-CG 4.48Å; V502-E506 WeakPolarHBondContact O-CG 3.46Å; V502-E506 PolarHBondContact O-N 3.04Å; V502-V527 HydrophobicContact CG1-CG1 4.19Å; V502-A530 HydrophobicContact CG2-CB 3.57Å
503	H	92.7	Very high	89.4	Confident	111 Å²	111	68.1 Å²	68.1	51%	0.514	33%	0.327	S	S	.	.	H	α-helix	trans	-59	-49	176	-175.9	74.2	0	0	0	111.8	A499 D500 L501 A505 E506 Q507	A499-H503 WeakPolarHBondContact O-CB 3.5Å; A499-H503 PolarHBondContact O-N 3.38Å; D500-H503 WeakPolarHBondContact O-CB 3.39Å; D500-H503 PolarHBondContact O-N 2.94Å; L501-H503 VanDerWaalsContact C-N 3.33Å; H503-A505 PolarHBondContact O-N 3.05Å; H503-E506 PolarHBondContact O-N 3.44Å; H503-Q507 PolarHBondContact NE2-NE2 2.66Å; H503-Q507 WeakPolarHBondContact O-CG 3.09Å; H503-Q507 PolarHBondContact O-N 2.76Å
504	V	93.4	Very high	89.6	Confident	28 Å²	28	67.1 Å²	67.1	17%	0.17	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-39.6	177.6	176.7	0	0	0	0	111.2	W462 V466 L482 D500 L501 V502 E506 Q507 F508	W462-V504 HydrophobicContact CH2-CG2 4.2Å; W462-V504 HydrophobicContact CZ3-CB 4.17Å; W462-V504 HydrophobicContact CZ3-CG1 4.32Å; W462-V504 HydrophobicContact CZ3-CG2 3.98Å; V466-V504 HydrophobicContact CG1-CG1 3.99Å; L482-V504 HydrophobicContact CD2-CB 4.43Å; L482-V504 HydrophobicContact CD2-CG1 3.96Å; D500-V504 WeakPolarHBondContact O-CG2 3.1Å; D500-V504 PolarHBondContact O-N 3.04Å; L501-V504 PolarHBondContact O-N 3.25Å; V502-V504 PolarHBondContact O-N 3.21Å; V504-E506 PolarHBondContact O-N 3.34Å; V504-Q507 PolarHBondContact O-N 3.16Å; V504-F508 WeakPolarHBondContact O-CB 3.45Å; V504-F508 PolarHBondContact O-N 2.84Å
505	A	94.4	Very high	90	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.9	-38.1	177.1	0	0	0	0	0	112.7	L482 I486 L501 V502 H503 F508 K509 L523 V527	L482-A505 HydrophobicContact CD1-CB 4.36Å; I486-A505 HydrophobicContact CD1-CB 4.27Å; L501-A505 VanDerWaalsContact O-CB 3.28Å; L501-A505 WeakPolarHBondContact O-CB 3.48Å; L501-A505 PolarHBondContact O-N 3Å; V502-A505 PolarHBondContact O-N 3.49Å; H503-A505 PolarHBondContact O-N 3.05Å; A505-F508 WeakPolarHBondContact O-CB 3.42Å; A505-F508 PolarHBondContact O-N 3.31Å; A505-K509 WeakPolarHBondContact O-CG 3.49Å; A505-K509 PolarHBondContact O-N 3.2Å; A505-L523 HydrophobicContact CB-CD1 4.26Å; A505-V527 HydrophobicContact CB-CG2 3.54Å
506	E	91.9	Very high	90.8	Very high	71 Å²	71	65.2 Å²	65.2	33%	0.332	33%	0.333	S	S	.	.	H	α-helix	trans	-68.2	-36	174.3	-74.6	-56.9	137.9	0	0	112.4	V502 H503 V504 K509 K510	V502-E506 HydrophobicContact CG1-CG 4.48Å; V502-E506 WeakPolarHBondContact O-CG 3.46Å; V502-E506 PolarHBondContact O-N 3.04Å; H503-E506 PolarHBondContact O-N 3.44Å; V504-E506 PolarHBondContact O-N 3.34Å; E506-K509 PolarHBondContact O-N 3.24Å; E506-K509 IonicContact OE1-NZ 2.75Å; E506-K509 PolarHBondContact OE1-NZ 3.14Å; E506-K510 WeakPolarHBondContact O-CG 3.5Å; E506-K510 PolarHBondContact O-N 3.33Å
507	Q	90.9	Very high	91.5	Very high	99 Å²	99	61.8 Å²	61.8	46%	0.463	33%	0.332	S	S	.	.	H	α-helix	trans	-64.4	-44.8	170	-68.3	-173.8	-5.6	0	0	111.4	H503 V504 K509 K510 V511	H503-Q507 PolarHBondContact NE2-NE2 2.66Å; H503-Q507 WeakPolarHBondContact O-CG 3.09Å; H503-Q507 PolarHBondContact O-N 2.76Å; V504-Q507 PolarHBondContact O-N 3.16Å; Q507-K509 VanDerWaalsContact C-N 3.34Å; Q507-K509 PolarHBondContact O-N 3.2Å; Q507-K510 PolarHBondContact O-N 3.46Å; Q507-K510 VanDerWaalsContact O-N 3.17Å; Q507-V511 WeakPolarHBondContact O-CG2 3.48Å; Q507-V511 PolarHBondContact O-N 2.92Å
508	F	93.5	Very high	91.8	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.009	34%	0.342	C	S	.	.	H	α-helix	trans	-55.1	-47.6	174.9	169.8	-87.7	0	0	0	111.4	L470 P475 A478 A479 L482 V504 A505 K510 V511 Q512 C515 Y520 L523	L470-F508 HydrophobicContact CD1-CD2 4.04Å; L470-F508 HydrophobicContact CD2-CD2 3.65Å; L470-F508 HydrophobicContact CD2-CE2 3.65Å; L470-F508 HydrophobicContact CG-CD2 4.1Å; L470-F508 HydrophobicContact CG-CE2 4.45Å; P475-F508 HydrophobicContact CB-CE2 3.97Å; P475-F508 HydrophobicContact CB-CZ 4.13Å; P475-F508 WeakPolarHBondContact O-CE2 3.4Å; P475-F508 WeakPolarHBondContact O-CZ 3.47Å; A478-F508 HydrophobicContact CB-CD2 4.01Å; A478-F508 HydrophobicContact CB-CE2 3.68Å; A479-F508 HydrophobicContact CB-CE1 4.18Å; A479-F508 HydrophobicContact CB-CZ 3.81Å; L482-F508 HydrophobicContact CD1-CB 3.95Å; L482-F508 HydrophobicContact CD1-CD2 4.28Å; L482-F508 HydrophobicContact CD1-CG 4Å; V504-F508 WeakPolarHBondContact O-CB 3.45Å; V504-F508 PolarHBondContact O-N 2.84Å; A505-F508 WeakPolarHBondContact O-CB 3.42Å; A505-F508 PolarHBondContact O-N 3.31Å; F508-K510 VanDerWaalsContact C-N 3.25Å; F508-K510 PolarHBondContact O-N 3.33Å; F508-V511 PolarHBondContact O-N 3.25Å; F508-V511 VanDerWaalsContact O-N 3.13Å; F508-Q512 HydrophobicContact CD1-CB 4.35Å; F508-Q512 HydrophobicContact CD1-CG 4.24Å; F508-Q512 HydrophobicContact CD2-CB 4.3Å; F508-Q512 HydrophobicContact CE1-CB 3.97Å; F508-Q512 HydrophobicContact CE1-CG 3.83Å; F508-Q512 HydrophobicContact CE2-CB 3.89Å; F508-Q512 HydrophobicContact CG-CB 4.49Å; F508-Q512 HydrophobicContact CZ-CB 3.71Å; F508-Q512 HydrophobicContact CZ-CG 4.04Å; F508-Q512 VanDerWaalsContact O-CB 3.24Å; F508-Q512 WeakPolarHBondContact O-CB 3.44Å; F508-Q512 VanDerWaalsContact O-CG 3.27Å; F508-Q512 WeakPolarHBondContact O-CG 3.33Å; F508-Q512 PolarHBondContact O-N 3.36Å; F508-C515 HydrophobicContact CZ-CB 4.36Å; F508-Y520 HydrophobicContact CE1-CD2 4.17Å; F508-Y520 HydrophobicContact CE1-CE2 4.44Å; F508-L523 HydrophobicContact CD1-CD2 3.53Å; F508-L523 HydrophobicContact CE1-CD2 3.64Å; F508-L523 HydrophobicContact CG-CD2 4.38Å
509	K	91.6	Very high	92.1	Very high	35 Å²	35	64 Å²	64	15%	0.152	35%	0.35	C	S	.	.	H	α-helix	trans	-57.7	-36.1	179.3	-74.1	176	-176.4	172.3	0	112.9	A505 E506 Q507 Y520	A505-K509 WeakPolarHBondContact O-CG 3.49Å; A505-K509 PolarHBondContact O-N 3.2Å; E506-K509 PolarHBondContact O-N 3.24Å; E506-K509 IonicContact OE1-NZ 2.75Å; E506-K509 PolarHBondContact OE1-NZ 3.14Å; Q507-K509 VanDerWaalsContact C-N 3.34Å; Q507-K509 PolarHBondContact O-N 3.2Å; K509-Y520 HydrophobicContact CB-CE2 4.48Å; K509-Y520 HydrophobicContact CG-CE2 4.02Å
510	K	90	Very high	92.4	Very high	173 Å²	173	64.5 Å²	64.5	75%	0.752	34%	0.34	S	S	*	.	H	α-helix	trans	-72.6	-34.9	178.5	-68.2	172.1	-174.2	176.3	0	113	E506 Q507 F508	E506-K510 WeakPolarHBondContact O-CG 3.5Å; E506-K510 PolarHBondContact O-N 3.33Å; Q507-K510 PolarHBondContact O-N 3.46Å; Q507-K510 VanDerWaalsContact O-N 3.17Å; F508-K510 VanDerWaalsContact C-N 3.25Å; F508-K510 PolarHBondContact O-N 3.33Å
511	V	90.1	Very high	92.6	Very high	28 Å²	28	62.3 Å²	62.3	17%	0.17	34%	0.335	C	S	.	.	H	α-helix	trans	-97.8	-33.7	-167.4	170.7	0	0	0	0	112.9	L427 L470 Q507 F508	L427-V511 HydrophobicContact CD2-CG1 3.57Å; L427-V511 HydrophobicContact CG-CG1 4.38Å; L470-V511 HydrophobicContact CD1-CG1 4.42Å; Q507-V511 WeakPolarHBondContact O-CG2 3.48Å; Q507-V511 PolarHBondContact O-N 2.92Å; F508-V511 PolarHBondContact O-N 3.25Å; F508-V511 VanDerWaalsContact O-N 3.13Å
512	Q	88.9	Confident	92.8	Very high	42 Å²	42	62.8 Å²	62.8	20%	0.196	34%	0.338	C	S	.	.			trans	-59.5	142.2	-171.9	69.8	81.5	15.6	0	0	112.8	L470 P475 F508 Y520	L470-Q512 HydrophobicContact CD2-CB 4.33Å; P475-Q512 HydrophobicContact CB-CB 4.08Å; F508-Q512 HydrophobicContact CD1-CB 4.35Å; F508-Q512 HydrophobicContact CD1-CG 4.24Å; F508-Q512 HydrophobicContact CD2-CB 4.3Å; F508-Q512 HydrophobicContact CE1-CB 3.97Å; F508-Q512 HydrophobicContact CE1-CG 3.83Å; F508-Q512 HydrophobicContact CE2-CB 3.89Å; F508-Q512 HydrophobicContact CG-CB 4.49Å; F508-Q512 HydrophobicContact CZ-CB 3.71Å; F508-Q512 HydrophobicContact CZ-CG 4.04Å; F508-Q512 VanDerWaalsContact O-CB 3.24Å; F508-Q512 WeakPolarHBondContact O-CB 3.44Å; F508-Q512 VanDerWaalsContact O-CG 3.27Å; F508-Q512 WeakPolarHBondContact O-CG 3.33Å; F508-Q512 PolarHBondContact O-N 3.36Å; Q512-Y520 HydrophobicContact CG-CD2 4.32Å; Q512-Y520 HydrophobicContact CG-CE2 4.05Å; Q512-Y520 VanDerWaalsContact NE2-CE2 3.33Å
513	R	86.3	Confident	93	Very high	165 Å²	165	61.4 Å²	61.4	62%	0.623	33%	0.33	S	S	*	.			trans	-137.4	122.5	172.4	-62.7	-176.5	-174.2	176.3	5.6	109.8	D430 P475	D430-R513 PolarHBondContact O-NH2 3.46Å; P475-R513 WeakPolarHBondContact CG-O 3.12Å
514	G	87.6	Confident	93.2	Very high	71 Å²	71	57.2 Å²	57.2	73%	0.732	31%	0.313	S	S	*	.	S	Bend	trans	81.8	21.1	178	0	0	0	0	0	114.6
515	C	94.1	Very high	93.3	Very high	19 Å²	19	58 Å²	58	13%	0.128	32%	0.316	C	S	.	.			trans	-61.2	140.6	166.4	-172.3	0	0	0	0	110.4	P475 F508 A517 Y520	P475-C515 HydrophobicContact CB-CB 4.13Å; P475-C515 HydrophobicContact CG-CB 4.22Å; F508-C515 HydrophobicContact CZ-CB 4.36Å; C515-A517 PolarHBondContact O-N 2.94Å; C515-Y520 HydrophobicContact CB-CD2 4.44Å
516	Q	96.3	Very high	93.4	Very high	112 Å²	112	58 Å²	58	52%	0.523	32%	0.316	S	S	.	.			trans	-59.7	134.7	171.3	-73.2	-176.8	-9.1	0	0	110.5	T476 S518 E519 Y520	T476-Q516 HydrophobicContact CG2-CB 4.01Å; T476-Q516 HydrophobicContact CG2-CG 3.92Å; T476-Q516 PolarHBondContact OG1-N 3.29Å; Q516-S518 VanDerWaalsContact C-N 3.28Å; Q516-S518 PolarHBondContact O-N 3.42Å; Q516-E519 HydrophobicContact CB-CG 4.3Å; Q516-E519 PolarHBondContact O-N 2.88Å; Q516-Y520 WeakPolarHBondContact O-CB 3.31Å; Q516-Y520 PolarHBondContact O-N 3.2Å
517	A	95	Very high	93.6	Very high	85 Å²	85	54.7 Å²	54.7	70%	0.702	30%	0.3	S	S	*	.	H	α-helix	trans	-61.7	-34.9	-174.3	0	0	0	0	0	112.9	C515 A521	C515-A517 PolarHBondContact O-N 2.94Å; A517-A521 VanDerWaalsContact O-CB 3.24Å; A517-A521 WeakPolarHBondContact O-CB 3.44Å; A517-A521 PolarHBondContact O-N 3.05Å
518	S	95.3	Very high	93.8	Very high	67 Å²	67	52.9 Å²	52.9	47%	0.469	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-46.5	176.7	52.3	0	0	0	0	112.4	Q516 A521 T522	Q516-S518 VanDerWaalsContact C-N 3.28Å; Q516-S518 PolarHBondContact O-N 3.42Å; S518-A521 PolarHBondContact O-N 3.49Å; S518-T522 WeakPolarHBondContact O-CB 3.02Å; S518-T522 PolarHBondContact O-N 2.97Å; S518-T522 PolarHBondContact O-OG1 3.38Å
519	E	96.7	Very high	93.9	Very high	51 Å²	51	52.9 Å²	52.9	24%	0.238	29%	0.294	C	S	.	.	H	α-helix	trans	-71	-38.6	180	-57.5	-46.7	135.8	0	0	111.3	T476 A479 I480 Q516 A521 T522 L523	T476-E519 HydrophobicContact CG2-CB 4.34Å; T476-E519 HydrophobicContact CG2-CG 3.82Å; A479-E519 HydrophobicContact CB-CB 4.16Å; I480-E519 HydrophobicContact CD1-CG 4.33Å; I480-E519 HydrophobicContact CG1-CG 4.02Å; Q516-E519 HydrophobicContact CB-CG 4.3Å; Q516-E519 PolarHBondContact O-N 2.88Å; E519-A521 PolarHBondContact O-N 3.41Å; E519-T522 PolarHBondContact O-N 3.48Å; E519-L523 WeakPolarHBondContact O-CB 3.34Å; E519-L523 PolarHBondContact O-N 2.87Å
520	Y	96.4	Very high	94	Very high	71 Å²	71	51.3 Å²	51.3	28%	0.278	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-43.1	174.3	-173.9	-91.3	0	0	0	112.2	F508 K509 Q512 C515 Q516 S524	F508-Y520 HydrophobicContact CE1-CD2 4.17Å; F508-Y520 HydrophobicContact CE1-CE2 4.44Å; K509-Y520 HydrophobicContact CB-CE2 4.48Å; K509-Y520 HydrophobicContact CG-CE2 4.02Å; Q512-Y520 HydrophobicContact CG-CD2 4.32Å; Q512-Y520 HydrophobicContact CG-CE2 4.05Å; Q512-Y520 VanDerWaalsContact NE2-CE2 3.33Å; C515-Y520 HydrophobicContact CB-CD2 4.44Å; Q516-Y520 WeakPolarHBondContact O-CB 3.31Å; Q516-Y520 PolarHBondContact O-N 3.2Å; Y520-S524 WeakPolarHBondContact O-CB 3.36Å; Y520-S524 PolarHBondContact O-N 2.98Å; Y520-S524 PolarHBondContact O-OG 3.33Å
521	A	95.2	Very high	94.2	Very high	49 Å²	49	45.6 Å²	45.6	41%	0.405	27%	0.267	S	S	.	.	H	α-helix	trans	-65.1	-41.4	176.2	0	0	0	0	0	111.5	A517 S518 E519 S524 L525	A517-A521 VanDerWaalsContact O-CB 3.24Å; A517-A521 WeakPolarHBondContact O-CB 3.44Å; A517-A521 PolarHBondContact O-N 3.05Å; S518-A521 PolarHBondContact O-N 3.49Å; E519-A521 PolarHBondContact O-N 3.41Å; A521-S524 PolarHBondContact O-N 2.99Å; A521-L525 WeakPolarHBondContact O-CG 3.36Å; A521-L525 PolarHBondContact O-N 2.99Å
522	T	96.5	Very high	94.4	Very high	11 Å²	11	44.3 Å²	44.3	7%	0.067	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-48.7	176.1	-59.3	0	0	0	0	111.5	S518 E519 S524 L525 L526 P572 K574 V575	S518-T522 WeakPolarHBondContact O-CB 3.02Å; S518-T522 PolarHBondContact O-N 2.97Å; S518-T522 PolarHBondContact O-OG1 3.38Å; E519-T522 PolarHBondContact O-N 3.48Å; T522-S524 VanDerWaalsContact C-N 3.33Å; T522-S524 PolarHBondContact O-N 2.96Å; T522-L525 PolarHBondContact O-N 3.48Å; T522-L526 HydrophobicContact CG2-CD1 4.24Å; T522-L526 WeakPolarHBondContact O-CG 3.44Å; T522-L526 PolarHBondContact O-N 3Å; T522-L526 VanDerWaalsContact O-N 3.08Å; T522-P572 HydrophobicContact CG2-CB 3.67Å; T522-P572 HydrophobicContact CG2-CG 4.14Å; T522-P572 WeakPolarHBondContact OG1-CB 3.41Å; T522-P572 WeakPolarHBondContact OG1-CG 3.27Å; T522-K574 HydrophobicContact CG2-CB 4.41Å; T522-V575 HydrophobicContact CG2-CG2 4.31Å
523	L	97.1	Very high	94.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-43.7	176	177.1	60.8	0	0	0	111.5	A479 L482 S483 I486 A505 F508 E519 L525 L526 V527	A479-L523 HydrophobicContact CB-CD2 4.27Å; L482-L523 HydrophobicContact CB-CD1 3.66Å; L482-L523 HydrophobicContact CB-CD2 4.4Å; L482-L523 HydrophobicContact CD1-CD2 4.05Å; S483-L523 WeakPolarHBondContact OG-CA 3.25Å; I486-L523 HydrophobicContact CD1-CD1 3.75Å; A505-L523 HydrophobicContact CB-CD1 4.26Å; F508-L523 HydrophobicContact CD1-CD2 3.53Å; F508-L523 HydrophobicContact CE1-CD2 3.64Å; F508-L523 HydrophobicContact CG-CD2 4.38Å; E519-L523 WeakPolarHBondContact O-CB 3.34Å; E519-L523 PolarHBondContact O-N 2.87Å; L523-L525 PolarHBondContact O-N 3.21Å; L523-L526 PolarHBondContact O-N 2.84Å; L523-V527 HydrophobicContact CD1-CG2 4.26Å; L523-V527 WeakPolarHBondContact O-CG2 3.5Å; L523-V527 PolarHBondContact O-N 2.9Å
524	S	95.8	Very high	94.9	Very high	22 Å²	22	37.5 Å²	37.5	15%	0.154	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-45.5	-179.6	-60.7	0	0	0	0	111.7	Y520 A521 T522 L526 V527 D528	Y520-S524 WeakPolarHBondContact O-CB 3.36Å; Y520-S524 PolarHBondContact O-N 2.98Å; Y520-S524 PolarHBondContact O-OG 3.33Å; A521-S524 PolarHBondContact O-N 2.99Å; T522-S524 VanDerWaalsContact C-N 3.33Å; T522-S524 PolarHBondContact O-N 2.96Å; S524-L526 VanDerWaalsContact C-N 3.32Å; S524-L526 PolarHBondContact O-N 3.23Å; S524-V527 PolarHBondContact O-N 2.82Å; S524-D528 VanDerWaalsContact O-CG 3.28Å; S524-D528 PolarHBondContact O-N 2.96Å
525	L	96.1	Very high	95.2	Very high	46 Å²	46	36 Å²	36	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-40.1	175.2	-71.8	172.7	0	0	0	112.4	A521 T522 L523 D528 L529 L551 L553 V575	A521-L525 WeakPolarHBondContact O-CG 3.36Å; A521-L525 PolarHBondContact O-N 2.99Å; T522-L525 PolarHBondContact O-N 3.48Å; L523-L525 PolarHBondContact O-N 3.21Å; L525-D528 PolarHBondContact O-N 3.49Å; L525-L529 WeakPolarHBondContact O-CB 3.35Å; L525-L529 VanDerWaalsContact O-CG 3.27Å; L525-L529 WeakPolarHBondContact O-CG 3.48Å; L525-L529 PolarHBondContact O-N 2.62Å; L525-L551 HydrophobicContact CD2-CD2 4.31Å; L525-L553 HydrophobicContact CD2-CD1 4.42Å; L525-V575 HydrophobicContact CB-CG2 4Å; L525-V575 HydrophobicContact CD1-CG2 4.4Å
526	L	96.6	Very high	95.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.4	-37.2	177.6	-74.7	170.4	0	0	0	112.4	S483 I486 T522 L523 S524 L529 A530 K574 V575 V578	S483-L526 VanDerWaalsContact O-CD1 3.32Å; S483-L526 WeakPolarHBondContact O-CD1 3.47Å; I486-L526 HydrophobicContact CB-CB 4.48Å; I486-L526 HydrophobicContact CG2-CB 3.9Å; T522-L526 HydrophobicContact CG2-CD1 4.24Å; T522-L526 WeakPolarHBondContact O-CG 3.44Å; T522-L526 PolarHBondContact O-N 3Å; T522-L526 VanDerWaalsContact O-N 3.08Å; L523-L526 PolarHBondContact O-N 2.84Å; S524-L526 VanDerWaalsContact C-N 3.32Å; S524-L526 PolarHBondContact O-N 3.23Å; L526-L529 PolarHBondContact O-N 3.35Å; L526-A530 WeakPolarHBondContact O-CB 3.3Å; L526-A530 PolarHBondContact O-N 2.91Å; L526-K574 HydrophobicContact CD1-CB 4.18Å; L526-V575 HydrophobicContact CD2-CG2 4.01Å; L526-V575 HydrophobicContact CG-CG2 3.91Å; L526-V578 HydrophobicContact CD2-CG2 4.05Å
527	V	95.8	Very high	94.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-45.7	173.2	171.9	0	0	0	0	110.7	I486 V502 A505 L523 S524 L529 A530 V531	I486-V527 HydrophobicContact CD1-CG2 4.02Å; V502-V527 HydrophobicContact CG1-CG1 4.19Å; A505-V527 HydrophobicContact CB-CG2 3.54Å; L523-V527 HydrophobicContact CD1-CG2 4.26Å; L523-V527 WeakPolarHBondContact O-CG2 3.5Å; L523-V527 PolarHBondContact O-N 2.9Å; S524-V527 PolarHBondContact O-N 2.82Å; V527-L529 VanDerWaalsContact C-N 3.29Å; V527-L529 PolarHBondContact O-N 3.36Å; V527-A530 WeakPolarHBondContact O-CB 3.34Å; V527-A530 PolarHBondContact O-N 3.27Å; V527-V531 WeakPolarHBondContact O-CG2 3.2Å; V527-V531 PolarHBondContact O-N 3.37Å
528	D	95.3	Very high	94.5	Very high	61 Å²	61	33.6 Å²	33.6	33%	0.326	18%	0.182	S	C	.	.	H	α-helix	trans	-64.3	-36.5	178.2	-61.2	-29.5	0	0	0	111.8	S524 L525 V531 L532 L551	S524-D528 VanDerWaalsContact O-CG 3.28Å; S524-D528 PolarHBondContact O-N 2.96Å; L525-D528 PolarHBondContact O-N 3.49Å; D528-V531 PolarHBondContact O-N 3.07Å; D528-L532 PolarHBondContact O-N 2.79Å; D528-L551 HydrophobicContact CB-CD1 4.11Å; D528-L551 HydrophobicContact CB-CD2 3.58Å; D528-L551 HydrophobicContact CB-CG 4.39Å
529	L	95.3	Very high	94.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-38.7	171.4	-78.2	174.2	0	0	0	112	L525 L526 V527 V531 L532 F533 L551 L553 V575 M582	L525-L529 WeakPolarHBondContact O-CB 3.35Å; L525-L529 VanDerWaalsContact O-CG 3.27Å; L525-L529 WeakPolarHBondContact O-CG 3.48Å; L525-L529 PolarHBondContact O-N 2.62Å; L526-L529 PolarHBondContact O-N 3.35Å; V527-L529 VanDerWaalsContact C-N 3.29Å; V527-L529 PolarHBondContact O-N 3.36Å; L529-V531 VanDerWaalsContact C-N 3.34Å; L529-L532 HydrophobicContact CD2-CD2 4.31Å; L529-L532 WeakPolarHBondContact O-CB 3.47Å; L529-L532 PolarHBondContact O-N 3.4Å; L529-F533 WeakPolarHBondContact O-CB 3.46Å; L529-F533 PolarHBondContact O-N 3.44Å; L529-L551 HydrophobicContact CD2-CD1 4.09Å; L529-L551 HydrophobicContact CG-CD1 4.42Å; L529-L553 HydrophobicContact CD1-CD1 3.98Å; L529-L553 HydrophobicContact CD2-CD1 4.11Å; L529-L553 HydrophobicContact CG-CD1 4.17Å; L529-V575 HydrophobicContact CD1-CG1 3.79Å; L529-M582 HydrophobicContact CB-CE 3.87Å; L529-M582 HydrophobicContact CD2-CE 3.96Å; L529-M582 HydrophobicContact CD2-CG 3.97Å; L529-M582 HydrophobicContact CG-CE 4.48Å; L529-M582 WeakPolarHBondContact O-CE 3.33Å
530	A	94.8	Very high	94	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-65.1	-37.9	174.4	0	0	0	0	0	112.4	I486 L490 I498 V502 L526 V527 F533 D534	I486-A530 HydrophobicContact CG2-CB 4.45Å; L490-A530 HydrophobicContact CD1-CB 4.27Å; L490-A530 HydrophobicContact CD2-CB 4.11Å; I498-A530 HydrophobicContact CG2-CB 3.91Å; V502-A530 HydrophobicContact CG2-CB 3.57Å; L526-A530 WeakPolarHBondContact O-CB 3.3Å; L526-A530 PolarHBondContact O-N 2.91Å; V527-A530 WeakPolarHBondContact O-CB 3.34Å; V527-A530 PolarHBondContact O-N 3.27Å; A530-F533 WeakPolarHBondContact O-CB 3.22Å; A530-F533 PolarHBondContact O-N 3.27Å; A530-D534 PolarHBondContact O-N 2.82Å; A530-D534 VanDerWaalsContact O-N 3.09Å
531	V	93.2	Very high	93.8	Very high	54 Å²	54	33.1 Å²	33.1	33%	0.327	18%	0.175	S	C	.	.	H	α-helix	trans	-64.9	-44.6	172.7	175.3	0	0	0	0	110.7	V527 D528 L529 F533 D534 H535 I547	V527-V531 WeakPolarHBondContact O-CG2 3.2Å; V527-V531 PolarHBondContact O-N 3.37Å; D528-V531 PolarHBondContact O-N 3.07Å; L529-V531 VanDerWaalsContact C-N 3.34Å; V531-F533 VanDerWaalsContact C-N 3.28Å; V531-F533 PolarHBondContact O-N 2.72Å; V531-D534 PolarHBondContact O-N 2.92Å; V531-H535 PolarHBondContact O-CD2 3.14Å; V531-H535 PolarHBondContact O-N 3.02Å; V531-H535 VanDerWaalsContact O-N 3.12Å; V531-I547 HydrophobicContact CG1-CD1 4.1Å
532	L	94.7	Very high	93.6	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-57.3	-42.7	173.4	175.8	59.7	0	0	0	111.7	D528 L529 D534 H535 C536 A544 I547 L551 M582 L586	D528-L532 PolarHBondContact O-N 2.79Å; L529-L532 HydrophobicContact CD2-CD2 4.31Å; L529-L532 WeakPolarHBondContact O-CB 3.47Å; L529-L532 PolarHBondContact O-N 3.4Å; L532-D534 PolarHBondContact O-N 3.19Å; L532-H535 PolarHBondContact O-N 2.75Å; L532-C536 WeakPolarHBondContact O-CB 3.25Å; L532-C536 PolarHBondContact O-N 3.45Å; L532-C536 PolarHBondContact O-SG 2.97Å; L532-A544 HydrophobicContact CD1-CB 3.87Å; L532-A544 WeakPolarHBondContact CD1-O 3.42Å; L532-I547 HydrophobicContact CB-CG2 3.9Å; L532-I547 HydrophobicContact CD1-CB 4.15Å; L532-I547 HydrophobicContact CD1-CG2 4.24Å; L532-I547 HydrophobicContact CG-CG2 4.5Å; L532-L551 HydrophobicContact CD2-CD1 4.43Å; L532-M582 HydrophobicContact CB-SD 4.31Å; L532-M582 HydrophobicContact CD2-CG 3.91Å; L532-M582 HydrophobicContact CD2-SD 3.78Å; L532-M582 HydrophobicContact CG-SD 3.82Å; L532-L586 HydrophobicContact CD1-CD1 4.39Å
533	F	93.4	Very high	93.5	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.013	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-45.7	177.8	-171.2	-106.7	0	0	0	112	L490 E493 I498 L529 A530 V531 C536 R537 M582 H585	L490-F533 HydrophobicContact CD2-CB 3.86Å; L490-F533 HydrophobicContact CD2-CD1 3.97Å; L490-F533 HydrophobicContact CD2-CD2 4.29Å; L490-F533 HydrophobicContact CD2-CG 3.81Å; E493-F533 HydrophobicContact CB-CZ 4.19Å; E493-F533 HydrophobicContact CG-CZ 4.07Å; I498-F533 HydrophobicContact CD1-CD1 3.76Å; I498-F533 HydrophobicContact CD1-CE1 3.58Å; L529-F533 WeakPolarHBondContact O-CB 3.46Å; L529-F533 PolarHBondContact O-N 3.44Å; A530-F533 WeakPolarHBondContact O-CB 3.22Å; A530-F533 PolarHBondContact O-N 3.27Å; V531-F533 VanDerWaalsContact C-N 3.28Å; V531-F533 PolarHBondContact O-N 2.72Å; F533-C536 WeakPolarHBondContact O-CB 3.36Å; F533-C536 PolarHBondContact O-N 2.89Å; F533-R537 HydrophobicContact CD1-CG 4.45Å; F533-R537 HydrophobicContact CE1-CG 4.28Å; F533-R537 HydrophobicContact CZ-CG 4.49Å; F533-R537 WeakPolarHBondContact O-CG 3.48Å; F533-R537 PolarHBondContact O-N 3.3Å; F533-M582 HydrophobicContact CB-CE 3.97Å; F533-M582 HydrophobicContact CB-SD 4.37Å; F533-M582 HydrophobicContact CD2-CE 4.3Å; F533-M582 HydrophobicContact CD2-SD 4.46Å; F533-H585 HydrophobicContact CD2-CB 4.32Å; F533-H585 AromaticContact CD2-CG 3.94Å; F533-H585 HydrophobicContact CE2-CB 4.38Å; F533-H585 AromaticContact CE2-CD2 3.38Å; F533-H585 WeakPolarHBondContact CE2-CD2 3.33Å; F533-H585 AromaticContact CE2-CE1 3.49Å; F533-H585 VanDerWaalsContact CE2-CE1 3.49Å; F533-H585 WeakPolarHBondContact CE2-CE1 2.87Å; F533-H585 AromaticContact CE2-CG 3.52Å; F533-H585 AromaticContact CE2-ND1 3.58Å; F533-H585 AromaticContact CE2-NE2 3.37Å; F533-H585 WeakPolarHBondContact CE2-NE2 3.46Å; F533-H585 AromaticContact CZ-CD2 3.94Å; F533-H585 AromaticContact CZ-NE2 3.67Å
534	D	92.2	Very high	93.4	Very high	60 Å²	60	39.9 Å²	39.9	32%	0.321	20%	0.199	S	C	.	.	H	α-helix	trans	-64.1	-44.7	179.8	-166.1	61.2	0	0	0	111.5	A530 V531 L532 C536 R537 N538	A530-D534 PolarHBondContact O-N 2.82Å; A530-D534 VanDerWaalsContact O-N 3.09Å; V531-D534 PolarHBondContact O-N 2.92Å; L532-D534 PolarHBondContact O-N 3.19Å; D534-C536 VanDerWaalsContact C-N 3.34Å; D534-C536 PolarHBondContact O-N 3.06Å; D534-R537 PolarHBondContact O-N 3.46Å; D534-R537 VanDerWaalsContact O-N 3.13Å; D534-N538 VanDerWaalsContact O-CG 3.29Å; D534-N538 PolarHBondContact O-N 2.97Å; D534-N538 PolarHBondContact O-ND2 3.36Å; D534-N538 PolarHBondContact OD2-ND2 2.93Å
535	H	93.3	Very high	93.3	Very high	39 Å²	39	40.1 Å²	40.1	18%	0.181	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-38.3	173.9	-72.3	-65.1	0	0	0	112.9	V531 L532 R537 N538 E539 E540 A544 I547	V531-H535 PolarHBondContact O-CD2 3.14Å; V531-H535 PolarHBondContact O-N 3.02Å; V531-H535 VanDerWaalsContact O-N 3.12Å; L532-H535 PolarHBondContact O-N 2.75Å; H535-R537 VanDerWaalsContact C-N 3.29Å; H535-R537 PolarHBondContact O-N 3.39Å; H535-N538 PolarHBondContact O-N 3.19Å; H535-E539 PolarHBondContact O-N 2.84Å; H535-E540 HydrophobicContact CB-CB 4.43Å; H535-E540 IonicContact CE1-OE2 3.88Å; H535-E540 PolarHBondContact CE1-OE2 2.88Å; H535-E540 VanDerWaalsContact CE1-OE2 3.32Å; H535-E540 IonicContact CG-OE2 2.7Å; H535-E540 IonicContact ND1-OE2 3.04Å; H535-E540 PolarHBondContact ND1-OE2 2.95Å; H535-E540 PolarHBondContact O-N 2.96Å; H535-A544 HydrophobicContact CB-CB 4.23Å; H535-I547 WeakPolarHBondContact CD2-CD1 3.12Å
536	C	92.6	Very high	93.2	Very high	8 Å²	8	39.7 Å²	39.7	5%	0.054	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-41	174.2	-70	0	0	0	0	111.3	L532 F533 D534 E539 H585 C589	L532-C536 WeakPolarHBondContact O-CB 3.25Å; L532-C536 PolarHBondContact O-N 3.45Å; L532-C536 PolarHBondContact O-SG 2.97Å; F533-C536 WeakPolarHBondContact O-CB 3.36Å; F533-C536 PolarHBondContact O-N 2.89Å; D534-C536 VanDerWaalsContact C-N 3.34Å; D534-C536 PolarHBondContact O-N 3.06Å; C536-E539 PolarHBondContact O-N 3.37Å; C536-H585 HydrophobicContact CB-CB 4.16Å; C536-C589 HydrophobicContact CB-CB 4.13Å; C536-C589 PolarHBondContact O-SG 3.47Å
537	R	88.5	Confident	93.1	Very high	92 Å²	92	41.5 Å²	41.5	35%	0.347	21%	0.212	S	C	.	.	H	α-helix	trans	-73.3	-35.1	179.5	-73.5	-179.2	65.7	156.6	9.1	113.6	E493 F533 D534 H535 E539	E493-R537 PolarHBondContact O-NH1 3.42Å; F533-R537 HydrophobicContact CD1-CG 4.45Å; F533-R537 HydrophobicContact CE1-CG 4.28Å; F533-R537 HydrophobicContact CZ-CG 4.49Å; F533-R537 WeakPolarHBondContact O-CG 3.48Å; F533-R537 PolarHBondContact O-N 3.3Å; D534-R537 PolarHBondContact O-N 3.46Å; D534-R537 VanDerWaalsContact O-N 3.13Å; H535-R537 VanDerWaalsContact C-N 3.29Å; H535-R537 PolarHBondContact O-N 3.39Å; R537-E539 PolarHBondContact O-N 3.44Å
538	N	90.6	Very high	93	Very high	67 Å²	67	41.5 Å²	41.5	36%	0.358	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	3.6	175.9	-61.5	-29.5	0	0	0	112.3	D534 H535 E540	D534-N538 VanDerWaalsContact O-CG 3.29Å; D534-N538 PolarHBondContact O-N 2.97Å; D534-N538 PolarHBondContact O-ND2 3.36Å; D534-N538 PolarHBondContact OD2-ND2 2.93Å; H535-N538 PolarHBondContact O-N 3.19Å; N538-E540 HydrophobicContact CB-CG 4.15Å; N538-E540 PolarHBondContact O-N 3.15Å
539	E	88.9	Confident	93	Very high	97 Å²	97	41.6 Å²	41.6	45%	0.453	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	24.8	174.6	-46.6	178.3	133.8	0	0	113.4	H535 C536 R537 A541 R596	H535-E539 PolarHBondContact O-N 2.84Å; C536-E539 PolarHBondContact O-N 3.37Å; R537-E539 PolarHBondContact O-N 3.44Å; E539-A541 VanDerWaalsContact C-N 3.3Å; E539-A541 PolarHBondContact O-N 3.45Å; E539-A541 VanDerWaalsContact O-N 3.09Å; E539-R596 IonicContact OE1-CZ 3.11Å; E539-R596 IonicContact OE1-NH1 3.3Å; E539-R596 IonicContact OE1-NH2 2.63Å; E539-R596 PolarHBondContact OE1-NH2 2.85Å; E539-R596 IonicContact OE2-CZ 3.05Å; E539-R596 VanDerWaalsContact OE2-CZ 3.3Å; E539-R596 IonicContact OE2-NH1 3.27Å; E539-R596 PolarHBondContact OE2-NH1 2.81Å; E539-R596 IonicContact OE2-NH2 3.17Å; E539-R596 PolarHBondContact OE2-NH2 3.21Å; E539-R596 VanDerWaalsContact OE2-NH2 3.11Å
540	E	92.8	Very high	92.9	Very high	79 Å²	79	49.4 Å²	49.4	37%	0.369	25%	0.252	S	S	.	.			trans	-88	63.7	-178.5	-64.2	178	-176.2	0	0	111.1	H535 N538 E542 I543 A544	H535-E540 HydrophobicContact CB-CB 4.43Å; H535-E540 IonicContact CE1-OE2 3.88Å; H535-E540 PolarHBondContact CE1-OE2 2.88Å; H535-E540 VanDerWaalsContact CE1-OE2 3.32Å; H535-E540 IonicContact CG-OE2 2.7Å; H535-E540 IonicContact ND1-OE2 3.04Å; H535-E540 PolarHBondContact ND1-OE2 2.95Å; H535-E540 PolarHBondContact O-N 2.96Å; N538-E540 HydrophobicContact CB-CG 4.15Å; N538-E540 PolarHBondContact O-N 3.15Å; E540-E542 VanDerWaalsContact C-N 3.29Å; E540-E542 PolarHBondContact O-N 3.42Å; E540-E542 VanDerWaalsContact O-N 3.17Å; E540-I543 HydrophobicContact CB-CD1 4.46Å; E540-I543 PolarHBondContact O-N 3.02Å; E540-I543 VanDerWaalsContact O-N 3.14Å; E540-A544 PolarHBondContact O-N 2.76Å
541	A	91.1	Very high	92.8	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-33.2	-169.5	0	0	0	0	0	115.1	E539 Y545 L590 H593	E539-A541 VanDerWaalsContact C-N 3.3Å; E539-A541 PolarHBondContact O-N 3.45Å; E539-A541 VanDerWaalsContact O-N 3.09Å; A541-Y545 VanDerWaalsContact O-CB 3.22Å; A541-Y545 WeakPolarHBondContact O-CB 3.41Å; A541-Y545 PolarHBondContact O-N 2.91Å; A541-L590 HydrophobicContact CB-CD2 4.27Å; A541-H593 HydrophobicContact CB-CB 3.52Å
542	E	92.3	Very high	92.8	Very high	119 Å²	119	53.9 Å²	53.9	56%	0.556	26%	0.264	S	S	*	.	H	α-helix	trans	-66.1	-43.2	178.9	-60.1	-144.1	137.1	0	0	112	E540 G546 Y620	E540-E542 VanDerWaalsContact C-N 3.29Å; E540-E542 PolarHBondContact O-N 3.42Å; E540-E542 VanDerWaalsContact O-N 3.17Å; E542-G546 PolarHBondContact O-N 3.27Å; E542-G546 VanDerWaalsContact O-N 3.1Å; E542-Y620 PolarHBondContact OE1-OH 3.48Å
543	I	94	Very high	92.7	Very high	83 Å²	83	54.7 Å²	54.7	43%	0.426	27%	0.268	S	S	.	.	H	α-helix	trans	-71.6	-46	179.8	-59.3	175.7	0	0	0	109.4	E540 Y545 G546 I547	E540-I543 HydrophobicContact CB-CD1 4.46Å; E540-I543 PolarHBondContact O-N 3.02Å; E540-I543 VanDerWaalsContact O-N 3.14Å; I543-Y545 VanDerWaalsContact C-N 3.32Å; I543-Y545 PolarHBondContact O-N 2.82Å; I543-G546 WeakPolarHBondContact O-CA 3.34Å; I543-G546 PolarHBondContact O-N 3.25Å; I543-I547 HydrophobicContact CG2-CD1 3.83Å; I543-I547 HydrophobicContact CG2-CG1 4.37Å; I543-I547 WeakPolarHBondContact O-CG1 3.38Å; I543-I547 PolarHBondContact O-N 2.91Å
544	A	94.6	Very high	92.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.5	-43.2	176.5	0	0	0	0	0	112.2	L532 H535 E540 G546 I547 S548 L586	L532-A544 HydrophobicContact CD1-CB 3.87Å; L532-A544 WeakPolarHBondContact CD1-O 3.42Å; H535-A544 HydrophobicContact CB-CB 4.23Å; E540-A544 PolarHBondContact O-N 2.76Å; A544-G546 PolarHBondContact O-N 2.98Å; A544-I547 PolarHBondContact O-N 3.46Å; A544-S548 WeakPolarHBondContact O-CB 3.47Å; A544-S548 PolarHBondContact O-N 2.97Å; A544-L586 HydrophobicContact CB-CD1 4.17Å
545	Y	94	Very high	92.9	Very high	28 Å²	28	51.9 Å²	51.9	11%	0.11	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-45.4	173.3	-179.3	-81.5	0	0	0	111.9	A541 I543 S548 T549 R619 Y620 Q623	A541-Y545 VanDerWaalsContact O-CB 3.22Å; A541-Y545 WeakPolarHBondContact O-CB 3.41Å; A541-Y545 PolarHBondContact O-N 2.91Å; I543-Y545 VanDerWaalsContact C-N 3.32Å; I543-Y545 PolarHBondContact O-N 2.82Å; Y545-S548 PolarHBondContact O-N 3.26Å; Y545-T549 WeakPolarHBondContact CE1-OG1 3.37Å; Y545-T549 WeakPolarHBondContact O-CB 3.15Å; Y545-T549 PolarHBondContact O-N 3.31Å; Y545-T549 PolarHBondContact O-OG1 3.37Å; Y545-R619 VanDerWaalsContact CD1-CZ 3.44Å; Y545-R619 VanDerWaalsContact CE1-NE 3.29Å; Y545-R619 HydrophobicContact CE2-CB 4.19Å; Y545-R619 HydrophobicContact CE2-CG 4.22Å; Y545-Y620 AromaticContact CD2-CD1 3.71Å; Y545-Y620 HydrophobicContact CD2-CD1 3.71Å; Y545-Y620 AromaticContact CD2-CE1 3.93Å; Y545-Y620 HydrophobicContact CD2-CE1 3.93Å; Y545-Y620 HydrophobicContact CE2-CD1 4.34Å; Y545-Y620 HydrophobicContact CG-CD1 4.27Å; Y545-Y620 HydrophobicContact CG-CE1 4.01Å; Y545-Q623 HydrophobicContact CE2-CB 4.18Å
546	G	94.2	Very high	92.9	Very high	37 Å²	37	50.4 Å²	50.4	38%	0.381	25%	0.247	S	C	.	.	H	α-helix	trans	-58.8	-48.9	178.4	0	0	0	0	0	112.5	E542 I543 A544 T549 H550	E542-G546 PolarHBondContact O-N 3.27Å; E542-G546 VanDerWaalsContact O-N 3.1Å; I543-G546 WeakPolarHBondContact O-CA 3.34Å; I543-G546 PolarHBondContact O-N 3.25Å; A544-G546 PolarHBondContact O-N 2.98Å; G546-T549 WeakPolarHBondContact O-CB 3.29Å; G546-T549 PolarHBondContact O-N 2.92Å; G546-H550 PolarHBondContact O-N 3.44Å
547	I	93.9	Very high	92.9	Very high	37 Å²	37	52.6 Å²	52.6	19%	0.19	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-45.8	178.1	-63.6	167.1	0	0	0	110.5	V531 L532 H535 I543 A544 T549 H550 L551	V531-I547 HydrophobicContact CG1-CD1 4.1Å; L532-I547 HydrophobicContact CB-CG2 3.9Å; L532-I547 HydrophobicContact CD1-CB 4.15Å; L532-I547 HydrophobicContact CD1-CG2 4.24Å; L532-I547 HydrophobicContact CG-CG2 4.5Å; H535-I547 WeakPolarHBondContact CD2-CD1 3.12Å; I543-I547 HydrophobicContact CG2-CD1 3.83Å; I543-I547 HydrophobicContact CG2-CG1 4.37Å; I543-I547 WeakPolarHBondContact O-CG1 3.38Å; I543-I547 PolarHBondContact O-N 2.91Å; A544-I547 PolarHBondContact O-N 3.46Å; I547-T549 VanDerWaalsContact C-N 3.25Å; I547-T549 PolarHBondContact O-N 3.15Å; I547-H550 PolarHBondContact O-N 2.95Å; I547-H550 VanDerWaalsContact O-N 3.13Å; I547-L551 HydrophobicContact CG2-CD1 3.82Å; I547-L551 HydrophobicContact CG2-CG 4.22Å; I547-L551 WeakPolarHBondContact O-CG 3.39Å; I547-L551 PolarHBondContact O-N 3.16Å
548	S	94.5	Very high	93	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-59	-37.6	177	178.1	0	0	0	0	112.5	A544 Y545 R552 L586 Q623	A544-S548 WeakPolarHBondContact O-CB 3.47Å; A544-S548 PolarHBondContact O-N 2.97Å; Y545-S548 PolarHBondContact O-N 3.26Å; S548-R552 PolarHBondContact O-N 2.98Å; S548-L586 WeakPolarHBondContact OG-CD2 3.43Å; S548-Q623 PolarHBondContact OG-NE2 3Å
549	T	93.6	Very high	93	Very high	62 Å²	62	53.7 Å²	53.7	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-67.1	-41.8	177.4	-55	0	0	0	0	110.8	Y545 G546 I547 T556	Y545-T549 WeakPolarHBondContact CE1-OG1 3.37Å; Y545-T549 WeakPolarHBondContact O-CB 3.15Å; Y545-T549 PolarHBondContact O-N 3.31Å; Y545-T549 PolarHBondContact O-OG1 3.37Å; G546-T549 WeakPolarHBondContact O-CB 3.29Å; G546-T549 PolarHBondContact O-N 2.92Å; I547-T549 VanDerWaalsContact C-N 3.25Å; I547-T549 PolarHBondContact O-N 3.15Å; T549-T556 HydrophobicContact CG2-CG2 4.23Å; T549-T556 WeakPolarHBondContact OG1-CG2 3.47Å
550	H	93.9	Very high	93.2	Very high	165 Å²	165	52.4 Å²	52.4	76%	0.764	27%	0.265	S	S	*	.	H	α-helix	trans	-67.1	-43.5	179.6	-173.8	67	0	0	0	112.5	G546 I547 R552	G546-H550 PolarHBondContact O-N 3.44Å; I547-H550 PolarHBondContact O-N 2.95Å; I547-H550 VanDerWaalsContact O-N 3.13Å; H550-R552 VanDerWaalsContact C-N 3.28Å; H550-R552 PolarHBondContact O-N 3.3Å
551	L	92.9	Very high	93.2	Very high	21 Å²	21	48.9 Å²	48.9	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-67.3	-26.9	-178.2	-70.3	175.3	0	0	0	113.5	L525 D528 L529 L532 I547 L553	L525-L551 HydrophobicContact CD2-CD2 4.31Å; D528-L551 HydrophobicContact CB-CD1 4.11Å; D528-L551 HydrophobicContact CB-CD2 3.58Å; D528-L551 HydrophobicContact CB-CG 4.39Å; L529-L551 HydrophobicContact CD2-CD1 4.09Å; L529-L551 HydrophobicContact CG-CD1 4.42Å; L532-L551 HydrophobicContact CD2-CD1 4.43Å; I547-L551 HydrophobicContact CG2-CD1 3.82Å; I547-L551 HydrophobicContact CG2-CG 4.22Å; I547-L551 WeakPolarHBondContact O-CG 3.39Å; I547-L551 PolarHBondContact O-N 3.16Å; L551-L553 HydrophobicContact CB-CD1 4.45Å; L551-L553 HydrophobicContact CB-CG 4.3Å; L551-L553 PolarHBondContact O-N 3Å
552	R	93.3	Very high	93.2	Very high	130 Å²	130	53.3 Å²	53.3	49%	0.491	28%	0.276	S	S	.	.			trans	54.2	21.3	-179.2	-159.6	-178.9	162.9	-153.5	-17.4	114	S548 H550 I564 E567	S548-R552 PolarHBondContact O-N 2.98Å; H550-R552 VanDerWaalsContact C-N 3.28Å; H550-R552 PolarHBondContact O-N 3.3Å; R552-I564 HydrophobicContact CG-CD1 4.32Å; R552-I564 HydrophobicContact CG-CG1 4.49Å; R552-E567 IonicContact CZ-OE1 2.78Å; R552-E567 IonicContact CZ-OE2 2.82Å; R552-E567 IonicContact NE-OE2 3.1Å; R552-E567 VanDerWaalsContact NH2-CD 3.35Å; R552-E567 IonicContact NH2-OE1 3.42Å; R552-E567 PolarHBondContact NH2-OE1 3.46Å; R552-E567 IonicContact NH2-OE2 3.86Å; R552-E567 PolarHBondContact NH2-OE2 3.18Å
553	L	92.8	Very high	93.2	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.094	27%	0.267	C	S	.	.	S	Bend	trans	-87.1	-26.8	175.6	-65.4	176.7	0	0	0	112.7	L525 L529 L551 V571 V575 L579 Y630	L525-L553 HydrophobicContact CD2-CD1 4.42Å; L529-L553 HydrophobicContact CD1-CD1 3.98Å; L529-L553 HydrophobicContact CD2-CD1 4.11Å; L529-L553 HydrophobicContact CG-CD1 4.17Å; L551-L553 HydrophobicContact CB-CD1 4.45Å; L551-L553 HydrophobicContact CB-CG 4.3Å; L551-L553 PolarHBondContact O-N 3Å; L553-V571 HydrophobicContact CD2-CG1 4.25Å; L553-V571 HydrophobicContact CD2-CG2 4.12Å; L553-V575 HydrophobicContact CD1-CG1 3.91Å; L553-L579 HydrophobicContact CB-CD2 3.99Å; L553-L579 HydrophobicContact CD1-CD2 4.38Å; L553-Y630 PolarHBondContact O-OH 3.25Å
554	I	94.3	Very high	93.1	Very high	4 Å²	4	47 Å²	47	2%	0.021	25%	0.249	C	C	.	.	S	Bend	trans	-121.9	125.1	178.4	-58.3	174.7	0	0	0	107.2	L579 M582 L586 I627	I554-L579 HydrophobicContact CG1-CD2 4.41Å; I554-M582 HydrophobicContact CD1-CB 4.21Å; I554-M582 HydrophobicContact CD1-CG 3.77Å; I554-L586 HydrophobicContact CD1-CD2 4Å; I554-L586 HydrophobicContact CG2-CD2 4.18Å; I554-I627 HydrophobicContact CG2-CD1 4.21Å; I554-I627 HydrophobicContact CG2-CG1 3.62Å
555	P	94.4	Very high	93	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.			trans	-64.9	137.1	-176.3	21.8	-28.8	0	0	0	111.7	Q560 V561 I564 A626 Y630	P555-Q560 HydrophobicContact CB-CB 4.23Å; P555-V561 HydrophobicContact CB-CG2 3.85Å; P555-V561 HydrophobicContact CG-CG2 3.75Å; P555-I564 HydrophobicContact CB-CD1 3.76Å; P555-A626 HydrophobicContact CB-CB 4.08Å; P555-A626 HydrophobicContact CG-CB 4.21Å; P555-A626 WeakPolarHBondContact O-CB 3.46Å; P555-Y630 HydrophobicContact CG-CD1 4.39Å; P555-Y630 HydrophobicContact CG-CD2 4.09Å; P555-Y630 HydrophobicContact CG-CG 3.78Å
556	T	93.1	Very high	92.9	Very high	8 Å²	8	52.3 Å²	52.3	5%	0.049	28%	0.28	C	S	.	.	S	Bend	trans	-92.6	-25.4	177.1	59.1	0	0	0	0	112.6	T549 Q560 K622 Q623	T549-T556 HydrophobicContact CG2-CG2 4.23Å; T549-T556 WeakPolarHBondContact OG1-CG2 3.47Å; T556-Q560 PolarHBondContact OG1-NE2 2.87Å; T556-Q560 PolarHBondContact OG1-OE1 3.26Å; T556-K622 CarbonylContact O-C 3.5Å; T556-Q623 WeakPolarHBondContact O-CA 3.37Å; T556-Q623 WeakPolarHBondContact O-CB 3.37Å; T556-Q623 PolarHBondContact O-N 3.45Å; T556-Q623 VanDerWaalsContact O-N 3.16Å
557	E	92.6	Very high	92.8	Very high	54 Å²	54	54.6 Å²	54.6	25%	0.252	28%	0.281	S	S	.	.	S	Bend	trans	-128.6	146.5	179.1	-64.8	-103.8	164.2	0	0	109.4	D559 Q560 K622	E557-D559 PolarHBondContact O-N 3.19Å; E557-Q560 HydrophobicContact CB-CG 4.22Å; E557-Q560 WeakPolarHBondContact O-CB 3.46Å; E557-Q560 PolarHBondContact O-N 3.33Å; E557-K622 WeakPolarHBondContact OE1-CD 3.35Å; E557-K622 IonicContact OE1-NZ 3.72Å; E557-K622 PolarHBondContact OE1-NZ 3.01Å; E557-K622 WeakPolarHBondContact OE2-CD 3.4Å; E557-K622 IonicContact OE2-NZ 3.65Å; E557-K622 PolarHBondContact OE2-NZ 3.23Å
558	P	90.4	Very high	92.7	Very high	43 Å²	43	53.1 Å²	53.1	28%	0.279	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-56.1	-34.3	179.4	-27.1	35.7	0	0	0	114.1	Q560 V561 K625	P558-Q560 PolarHBondContact O-N 2.69Å; P558-V561 WeakPolarHBondContact O-CB 3.39Å; P558-V561 VanDerWaalsContact O-CG2 3.27Å; P558-V561 WeakPolarHBondContact O-CG2 3.32Å; P558-V561 PolarHBondContact O-N 2.87Å; P558-K625 HydrophobicContact CG-CB 4.35Å
559	D	91.8	Very high	92.5	Very high	138 Å²	138	58.7 Å²	58.7	74%	0.738	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-67.5	-21.4	-179.4	-60.2	-20.1	0	0	0	112.9	E557	E557-D559 PolarHBondContact O-N 3.19Å
560	Q	92.6	Very high	92.4	Very high	71 Å²	71	62.5 Å²	62.5	33%	0.332	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-81.7	-15.8	178	-63	173.7	-5.5	0	0	113	P555 T556 E557 P558 T562 V563 I564	P555-Q560 HydrophobicContact CB-CB 4.23Å; T556-Q560 PolarHBondContact OG1-NE2 2.87Å; T556-Q560 PolarHBondContact OG1-OE1 3.26Å; E557-Q560 HydrophobicContact CB-CG 4.22Å; E557-Q560 WeakPolarHBondContact O-CB 3.46Å; E557-Q560 PolarHBondContact O-N 3.33Å; P558-Q560 PolarHBondContact O-N 2.69Å; Q560-T562 VanDerWaalsContact C-N 3.35Å; Q560-T562 PolarHBondContact O-N 3.48Å; Q560-V563 PolarHBondContact O-N 3.17Å; Q560-I564 HydrophobicContact CB-CD1 4.19Å; Q560-I564 PolarHBondContact O-N 3.28Å
561	V	92.5	Very high	92.3	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.024	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-45.8	-171.3	176.6	0	0	0	0	111	P555 P558 V563 I564 V565 A626 L629 Y630 T633	P555-V561 HydrophobicContact CB-CG2 3.85Å; P555-V561 HydrophobicContact CG-CG2 3.75Å; P558-V561 WeakPolarHBondContact O-CB 3.39Å; P558-V561 VanDerWaalsContact O-CG2 3.27Å; P558-V561 WeakPolarHBondContact O-CG2 3.32Å; P558-V561 PolarHBondContact O-N 2.87Å; V561-V563 VanDerWaalsContact C-N 3.31Å; V561-V563 PolarHBondContact O-N 2.88Å; V561-I564 PolarHBondContact O-N 3.15Å; V561-V565 HydrophobicContact CG1-CG2 4.01Å; V561-V565 VanDerWaalsContact O-CB 3.3Å; V561-V565 WeakPolarHBondContact O-CB 3.33Å; V561-V565 WeakPolarHBondContact O-CG2 3.18Å; V561-V565 PolarHBondContact O-N 3.47Å; V561-A626 HydrophobicContact CG2-CB 4.16Å; V561-L629 HydrophobicContact CB-CD2 4.2Å; V561-L629 HydrophobicContact CB-CG 4.42Å; V561-L629 HydrophobicContact CG1-CD2 4.35Å; V561-L629 HydrophobicContact CG1-CG 4.06Å; V561-L629 HydrophobicContact CG2-CB 4.32Å; V561-L629 HydrophobicContact CG2-CD2 4.04Å; V561-L629 HydrophobicContact CG2-CG 4.28Å; V561-Y630 HydrophobicContact CG1-CD2 4.4Å; V561-T633 WeakPolarHBondContact CG1-OG1 3.46Å
562	T	91.8	Very high	92.4	Very high	95 Å²	95	56.4 Å²	56.4	58%	0.583	29%	0.29	S	S	*	.	H	α-helix	trans	-60.3	-40.9	-179.8	53	0	0	0	0	112.3	Q560 N566	Q560-T562 VanDerWaalsContact C-N 3.35Å; Q560-T562 PolarHBondContact O-N 3.48Å; T562-N566 WeakPolarHBondContact O-CB 3.38Å; T562-N566 PolarHBondContact O-N 3.13Å; T562-N566 PolarHBondContact O-ND2 3.41Å
563	V	92.6	Very high	92.4	Very high	62 Å²	62	56.6 Å²	56.6	38%	0.376	30%	0.296	S	S	.	.	H	α-helix	trans	-66.6	-50.2	179.2	-179.1	0	0	0	0	110.8	Q560 V561 V565 N566 E567	Q560-V563 PolarHBondContact O-N 3.17Å; V561-V563 VanDerWaalsContact C-N 3.31Å; V561-V563 PolarHBondContact O-N 2.88Å; V563-V565 VanDerWaalsContact C-N 3.34Å; V563-V565 PolarHBondContact O-N 2.62Å; V563-N566 PolarHBondContact O-N 3.35Å; V563-E567 WeakPolarHBondContact O-CG 3.35Å; V563-E567 PolarHBondContact O-N 2.97Å
564	I	92.4	Very high	92.4	Very high	8 Å²	8	59 Å²	59	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-66.2	-37.7	-178.5	-69	167.4	0	0	0	110.9	R552 P555 Q560 V561 N566 E567 F568 Y630	R552-I564 HydrophobicContact CG-CD1 4.32Å; R552-I564 HydrophobicContact CG-CG1 4.49Å; P555-I564 HydrophobicContact CB-CD1 3.76Å; Q560-I564 HydrophobicContact CB-CD1 4.19Å; Q560-I564 PolarHBondContact O-N 3.28Å; V561-I564 PolarHBondContact O-N 3.15Å; I564-N566 VanDerWaalsContact C-N 3.34Å; I564-N566 PolarHBondContact O-N 3.39Å; I564-E567 CarbonylContact O-C 3.56Å; I564-E567 PolarHBondContact O-N 3.25Å; I564-F568 PolarHBondContact O-N 3.36Å; I564-Y630 HydrophobicContact CG2-CE2 3.87Å
565	V	92.6	Very high	92.5	Very high	23 Å²	23	58.8 Å²	58.8	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-41.3	173.9	168.8	0	0	0	0	111.6	V561 V563 E567 F568 Y630 V634	V561-V565 HydrophobicContact CG1-CG2 4.01Å; V561-V565 VanDerWaalsContact O-CB 3.3Å; V561-V565 WeakPolarHBondContact O-CB 3.33Å; V561-V565 WeakPolarHBondContact O-CG2 3.18Å; V561-V565 PolarHBondContact O-N 3.47Å; V563-V565 VanDerWaalsContact C-N 3.34Å; V563-V565 PolarHBondContact O-N 2.62Å; V565-E567 VanDerWaalsContact C-N 3.33Å; V565-E567 PolarHBondContact O-N 2.77Å; V565-F568 WeakPolarHBondContact O-CB 3Å; V565-F568 PolarHBondContact O-N 3.1Å; V565-Y630 HydrophobicContact CG2-CD2 3.7Å; V565-Y630 HydrophobicContact CG2-CE2 3.9Å; V565-V634 HydrophobicContact CG2-CB 4.31Å
566	N	91.4	Very high	92.5	Very high	117 Å²	117	62 Å²	62	63%	0.626	32%	0.317	S	S	*	.	H	α-helix	trans	-65.8	-36.1	176.2	-72	-22.8	0	0	0	112	T562 V563 I564 F568 H569	T562-N566 WeakPolarHBondContact O-CB 3.38Å; T562-N566 PolarHBondContact O-N 3.13Å; T562-N566 PolarHBondContact O-ND2 3.41Å; V563-N566 PolarHBondContact O-N 3.35Å; I564-N566 VanDerWaalsContact C-N 3.34Å; I564-N566 PolarHBondContact O-N 3.39Å; N566-F568 VanDerWaalsContact C-N 3.31Å; N566-H569 PolarHBondContact O-CE1 3.48Å; N566-H569 PolarHBondContact O-ND1 3.24Å
567	E	92.3	Very high	92.5	Very high	85 Å²	85	63.3 Å²	63.3	40%	0.397	32%	0.322	S	S	.	.	H	α-helix	trans	-79.4	-10.4	177.4	-68.3	172.3	174	0	0	113.1	R552 V563 I564 V565 H569 M570	R552-E567 IonicContact CZ-OE1 2.78Å; R552-E567 IonicContact CZ-OE2 2.82Å; R552-E567 IonicContact NE-OE2 3.1Å; R552-E567 VanDerWaalsContact NH2-CD 3.35Å; R552-E567 IonicContact NH2-OE1 3.42Å; R552-E567 PolarHBondContact NH2-OE1 3.46Å; R552-E567 IonicContact NH2-OE2 3.86Å; R552-E567 PolarHBondContact NH2-OE2 3.18Å; V563-E567 WeakPolarHBondContact O-CG 3.35Å; V563-E567 PolarHBondContact O-N 2.97Å; I564-E567 CarbonylContact O-C 3.56Å; I564-E567 PolarHBondContact O-N 3.25Å; V565-E567 VanDerWaalsContact C-N 3.33Å; V565-E567 PolarHBondContact O-N 2.77Å; E567-H569 VanDerWaalsContact C-N 3.26Å; E567-H569 PolarHBondContact O-N 2.8Å; E567-H569 VanDerWaalsContact O-N 3.09Å; E567-M570 VanDerWaalsContact O-CB 3.29Å; E567-M570 WeakPolarHBondContact O-CB 3.35Å; E567-M570 PolarHBondContact O-N 3.21Å
568	F	91.1	Very high	92.6	Very high	6 Å²	6	60.8 Å²	60.8	3%	0.026	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-56.7	-33.5	-172	-174.3	-99.6	0	0	0	114.7	I564 V565 N566 M570 V571 R576 L579 Y630 V634 P635 Y636	I564-F568 PolarHBondContact O-N 3.36Å; V565-F568 WeakPolarHBondContact O-CB 3Å; V565-F568 PolarHBondContact O-N 3.1Å; N566-F568 VanDerWaalsContact C-N 3.31Å; F568-M570 PolarHBondContact O-N 2.87Å; F568-V571 WeakPolarHBondContact O-CB 3.47Å; F568-V571 PolarHBondContact O-N 3.1Å; F568-V571 VanDerWaalsContact O-N 3.09Å; F568-R576 HydrophobicContact CE1-CG 3.89Å; F568-R576 HydrophobicContact CE2-CG 3.9Å; F568-R576 HydrophobicContact CZ-CB 3.91Å; F568-R576 VanDerWaalsContact CZ-CD 3.41Å; F568-R576 HydrophobicContact CZ-CG 3.48Å; F568-R576 VanDerWaalsContact CZ-CG 3.48Å; F568-L579 HydrophobicContact CD2-CD1 4.47Å; F568-L579 HydrophobicContact CE2-CD1 3.72Å; F568-Y630 VanDerWaalsContact CD2-OH 3.27Å; F568-Y630 WeakPolarHBondContact CD2-OH 3.45Å; F568-Y630 WeakPolarHBondContact CE2-OH 3.49Å; F568-V634 HydrophobicContact CB-CG2 4.33Å; F568-V634 HydrophobicContact CD1-CG2 3.88Å; F568-V634 HydrophobicContact CD2-CG2 3.43Å; F568-V634 VanDerWaalsContact CD2-CG2 3.43Å; F568-V634 HydrophobicContact CE1-CG2 3.97Å; F568-V634 HydrophobicContact CE2-CG2 3.5Å; F568-V634 VanDerWaalsContact CE2-CG2 3.5Å; F568-V634 HydrophobicContact CG-CG2 3.61Å; F568-V634 HydrophobicContact CZ-CG2 3.78Å; F568-P635 HydrophobicContact CD1-CG 4.04Å; F568-Y636 HydrophobicContact CE1-CD2 4.3Å; F568-Y636 HydrophobicContact CE1-CG 4.18Å; F568-Y636 VanDerWaalsContact CZ-CB 3.49Å; F568-Y636 HydrophobicContact CZ-CD2 4.26Å; F568-Y636 AromaticContact CZ-CG 3.9Å; F568-Y636 HydrophobicContact CZ-CG 3.9Å
569	H	89.8	Confident	92.8	Very high	119 Å²	119	58.8 Å²	58.8	55%	0.551	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-65.2	-21.3	178.4	67.4	-73.9	0	0	0	113.4	N566 E567 R576	N566-H569 PolarHBondContact O-CE1 3.48Å; N566-H569 PolarHBondContact O-ND1 3.24Å; E567-H569 VanDerWaalsContact C-N 3.26Å; E567-H569 PolarHBondContact O-N 2.8Å; E567-H569 VanDerWaalsContact O-N 3.09Å; H569-R576 PolarHBondContact O-NH2 2.93Å
570	M	91.5	Very high	92.9	Very high	141 Å²	141	52.3 Å²	52.3	70%	0.695	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-81.2	-15.5	175.7	-63.4	-72.8	153.8	0	0	112.7	E567 F568	E567-M570 VanDerWaalsContact O-CB 3.29Å; E567-M570 WeakPolarHBondContact O-CB 3.35Å; E567-M570 PolarHBondContact O-N 3.21Å; F568-M570 PolarHBondContact O-N 2.87Å
571	V	92.6	Very high	92.9	Very high	21 Å²	21	49.8 Å²	49.8	13%	0.127	25%	0.252	C	S	.	.	S	Bend	trans	-71.3	135.3	177.5	-177.2	0	0	0	0	109	L553 F568 V575 R576	L553-V571 HydrophobicContact CD2-CG1 4.25Å; L553-V571 HydrophobicContact CD2-CG2 4.12Å; F568-V571 WeakPolarHBondContact O-CB 3.47Å; F568-V571 PolarHBondContact O-N 3.1Å; F568-V571 VanDerWaalsContact O-N 3.09Å; V571-V575 HydrophobicContact CG1-CB 3.76Å; V571-V575 HydrophobicContact CG1-CG1 3.5Å; V571-R576 HydrophobicContact CB-CG 3.88Å; V571-R576 HydrophobicContact CG1-CG 3.76Å; V571-R576 PolarHBondContact O-NE 3.19Å; V571-R576 PolarHBondContact O-NH2 3.46Å
572	P	94.6	Very high	93	Very high	37 Å²	37	49.6 Å²	49.6	24%	0.24	25%	0.251	C	S	.	.			trans	-58.7	146.3	176	-26.1	35.1	0	0	0	112.7	T522 K574 V575 R576	T522-P572 HydrophobicContact CG2-CB 3.67Å; T522-P572 HydrophobicContact CG2-CG 4.14Å; T522-P572 WeakPolarHBondContact OG1-CB 3.41Å; T522-P572 WeakPolarHBondContact OG1-CG 3.27Å; P572-K574 VanDerWaalsContact C-N 3.35Å; P572-K574 PolarHBondContact O-N 3.45Å; P572-V575 HydrophobicContact CB-CB 4.49Å; P572-V575 HydrophobicContact CB-CG2 4.22Å; P572-V575 HydrophobicContact CG-CG2 4.39Å; P572-V575 WeakPolarHBondContact O-CB 3.37Å; P572-V575 PolarHBondContact O-N 3.33Å; P572-V575 VanDerWaalsContact O-N 3.12Å; P572-R576 PolarHBondContact O-N 3.37Å
573	Q	93	Very high	93.1	Very high	134 Å²	134	45.1 Å²	45.1	63%	0.626	22%	0.223	S	C	*	.	H	α-helix	trans	-56.1	-46.7	-177.1	-179.2	-177.3	-22.6	0	0	112.3	V575 R576 E577	Q573-V575 PolarHBondContact O-N 2.88Å; Q573-R576 WeakPolarHBondContact O-CB 3.35Å; Q573-R576 PolarHBondContact O-N 2.97Å; Q573-E577 PolarHBondContact NE2-OE1 3.1Å; Q573-E577 VanDerWaalsContact NE2-OE1 3.09Å; Q573-E577 WeakPolarHBondContact O-CG 3.34Å; Q573-E577 PolarHBondContact O-N 3.26Å
574	K	93.9	Very high	93.2	Very high	69 Å²	69	43.2 Å²	43.2	30%	0.3	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-31.2	-180	-71	-69.5	-176.9	174.2	0	113.5	S484 S487 T522 L526 P572	S484-K574 PolarHBondContact OG-NZ 3.26Å; S487-K574 PolarHBondContact OG-O 2.79Å; T522-K574 HydrophobicContact CG2-CB 4.41Å; L526-K574 HydrophobicContact CD1-CB 4.18Å; P572-K574 VanDerWaalsContact C-N 3.35Å; P572-K574 PolarHBondContact O-N 3.45Å
575	V	95.5	Very high	93.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-72.9	-45.7	173.6	173.9	0	0	0	0	110	T522 L525 L526 L529 L553 V571 P572 Q573 E577 V578 L579	T522-V575 HydrophobicContact CG2-CG2 4.31Å; L525-V575 HydrophobicContact CB-CG2 4Å; L525-V575 HydrophobicContact CD1-CG2 4.4Å; L526-V575 HydrophobicContact CD2-CG2 4.01Å; L526-V575 HydrophobicContact CG-CG2 3.91Å; L529-V575 HydrophobicContact CD1-CG1 3.79Å; L553-V575 HydrophobicContact CD1-CG1 3.91Å; V571-V575 HydrophobicContact CG1-CB 3.76Å; V571-V575 HydrophobicContact CG1-CG1 3.5Å; P572-V575 HydrophobicContact CB-CB 4.49Å; P572-V575 HydrophobicContact CB-CG2 4.22Å; P572-V575 HydrophobicContact CG-CG2 4.39Å; P572-V575 WeakPolarHBondContact O-CB 3.37Å; P572-V575 PolarHBondContact O-N 3.33Å; P572-V575 VanDerWaalsContact O-N 3.12Å; Q573-V575 PolarHBondContact O-N 2.88Å; V575-E577 PolarHBondContact O-N 2.95Å; V575-V578 PolarHBondContact O-N 3.45Å; V575-L579 WeakPolarHBondContact O-CG 3.46Å; V575-L579 PolarHBondContact O-N 3.46Å
576	R	94.4	Very high	93.4	Very high	68 Å²	68	42.9 Å²	42.9	26%	0.257	21%	0.208	S	C	.	.	H	α-helix	trans	-56.1	-37.2	178.1	-70.5	-174.7	-105.7	172.1	-19	112.9	F568 H569 V571 P572 Q573 V578 L579 P580 Y636	F568-R576 HydrophobicContact CE1-CG 3.89Å; F568-R576 HydrophobicContact CE2-CG 3.9Å; F568-R576 HydrophobicContact CZ-CB 3.91Å; F568-R576 VanDerWaalsContact CZ-CD 3.41Å; F568-R576 HydrophobicContact CZ-CG 3.48Å; F568-R576 VanDerWaalsContact CZ-CG 3.48Å; H569-R576 PolarHBondContact O-NH2 2.93Å; V571-R576 HydrophobicContact CB-CG 3.88Å; V571-R576 HydrophobicContact CG1-CG 3.76Å; V571-R576 PolarHBondContact O-NE 3.19Å; V571-R576 PolarHBondContact O-NH2 3.46Å; P572-R576 PolarHBondContact O-N 3.37Å; Q573-R576 WeakPolarHBondContact O-CB 3.35Å; Q573-R576 PolarHBondContact O-N 2.97Å; R576-V578 PolarHBondContact O-N 3.08Å; R576-L579 PolarHBondContact O-N 2.87Å; R576-P580 WeakPolarHBondContact O-CD 3.45Å; R576-Y636 HydrophobicContact CB-CE2 4.47Å
577	E	93.3	Very high	93.6	Very high	34 Å²	34	37.3 Å²	37.3	16%	0.159	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.7	177.7	-68.7	169.8	-168.3	0	0	113.8	R491 Q573 V575	R491-E577 WeakPolarHBondContact CD-O 3.23Å; R491-E577 IonicContact CZ-OE2 2.95Å; R491-E577 VanDerWaalsContact NH1-CB 3.34Å; R491-E577 IonicContact NH1-OE2 3.74Å; R491-E577 PolarHBondContact NH1-OE2 3.34Å; Q573-E577 PolarHBondContact NE2-OE1 3.1Å; Q573-E577 VanDerWaalsContact NE2-OE1 3.09Å; Q573-E577 WeakPolarHBondContact O-CG 3.34Å; Q573-E577 PolarHBondContact O-N 3.26Å; V575-E577 PolarHBondContact O-N 2.95Å
578	V	94.4	Very high	93.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-23.2	-177.6	179.1	0	0	0	0	112.3	S487 L490 L526 V575 R576 P580 D581 M582	S487-V578 WeakPolarHBondContact OG-CG2 3.3Å; L490-V578 HydrophobicContact CB-CG1 3.83Å; L490-V578 HydrophobicContact CB-CG2 4.39Å; L490-V578 HydrophobicContact CD1-CG1 3.78Å; L490-V578 HydrophobicContact CD1-CG2 4.42Å; L490-V578 HydrophobicContact CG-CG1 4.41Å; L526-V578 HydrophobicContact CD2-CG2 4.05Å; V575-V578 PolarHBondContact O-N 3.45Å; R576-V578 PolarHBondContact O-N 3.08Å; V578-P580 VanDerWaalsContact C-CD 3.42Å; V578-D581 PolarHBondContact O-N 3.1Å; V578-M582 HydrophobicContact CG1-CE 4.24Å; V578-M582 PolarHBondContact O-N 3.11Å
579	L	94.4	Very high	93.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-56.5	-37.6	-174.2	-68.9	177.1	0	0	0	114.7	L553 I554 F568 V575 R576 M582 C583	L553-L579 HydrophobicContact CB-CD2 3.99Å; L553-L579 HydrophobicContact CD1-CD2 4.38Å; I554-L579 HydrophobicContact CG1-CD2 4.41Å; F568-L579 HydrophobicContact CD2-CD1 4.47Å; F568-L579 HydrophobicContact CE2-CD1 3.72Å; V575-L579 WeakPolarHBondContact O-CG 3.46Å; V575-L579 PolarHBondContact O-N 3.46Å; R576-L579 PolarHBondContact O-N 2.87Å; L579-M582 PolarHBondContact O-N 3.1Å; L579-C583 WeakPolarHBondContact O-CB 3.32Å; L579-C583 PolarHBondContact O-N 3.49Å; L579-C583 PolarHBondContact O-SG 3.23Å
580	P	94.2	Very high	94	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.013	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-50.5	177.6	-24.7	34.9	0	0	0	113.3	R576 V578 M582 C583 L584 Y636 F638 P639 V642	R576-P580 WeakPolarHBondContact O-CD 3.45Å; V578-P580 VanDerWaalsContact C-CD 3.42Å; P580-M582 VanDerWaalsContact C-N 3.31Å; P580-M582 PolarHBondContact O-N 2.82Å; P580-C583 WeakPolarHBondContact O-CB 3.38Å; P580-C583 PolarHBondContact O-N 3.2Å; P580-L584 PolarHBondContact O-N 3.03Å; P580-L584 VanDerWaalsContact O-N 3.17Å; P580-Y636 HydrophobicContact CG-CD1 4.27Å; P580-Y636 HydrophobicContact CG-CE1 3.88Å; P580-F638 VanDerWaalsContact CA-CE1 3.49Å; P580-F638 HydrophobicContact CB-CD1 3.74Å; P580-F638 HydrophobicContact CB-CD2 4.45Å; P580-F638 HydrophobicContact CB-CE1 3.89Å; P580-F638 HydrophobicContact CB-CG 4.04Å; P580-F638 HydrophobicContact CB-CZ 4.28Å; P580-F638 HydrophobicContact CG-CD1 4.29Å; P580-F638 HydrophobicContact CG-CD2 4.13Å; P580-F638 HydrophobicContact CG-CE1 4.34Å; P580-F638 HydrophobicContact CG-CE2 4.12Å; P580-F638 HydrophobicContact CG-CG 4.2Å; P580-F638 HydrophobicContact CG-CZ 4.24Å; P580-P639 HydrophobicContact CB-CG 4.48Å; P580-V642 HydrophobicContact CB-CG1 4.24Å; P580-V642 HydrophobicContact CB-CG2 4.48Å; P580-V642 WeakPolarHBondContact O-CG1 3.48Å
581	D	92.8	Very high	94	Very high	18 Å²	18	25.9 Å²	25.9	10%	0.096	12%	0.122	C	C	.	.	H	α-helix	trans	-67	-36.9	179.5	-57.1	-63.9	0	0	0	110.8	V578 L584 H585	V578-D581 PolarHBondContact O-N 3.1Å; D581-L584 WeakPolarHBondContact O-CB 3.37Å; D581-L584 PolarHBondContact O-N 3.39Å; D581-H585 PolarHBondContact O-N 3.45Å; D581-H585 PolarHBondContact O-ND1 3.12Å
582	M	94.6	Very high	93.9	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-44.8	174.8	-167.2	60.2	64.2	0	0	112.6	L529 L532 F533 I554 V578 L579 P580 L584 H585 L586	L529-M582 HydrophobicContact CB-CE 3.87Å; L529-M582 HydrophobicContact CD2-CE 3.96Å; L529-M582 HydrophobicContact CD2-CG 3.97Å; L529-M582 HydrophobicContact CG-CE 4.48Å; L529-M582 WeakPolarHBondContact O-CE 3.33Å; L532-M582 HydrophobicContact CB-SD 4.31Å; L532-M582 HydrophobicContact CD2-CG 3.91Å; L532-M582 HydrophobicContact CD2-SD 3.78Å; L532-M582 HydrophobicContact CG-SD 3.82Å; F533-M582 HydrophobicContact CB-CE 3.97Å; F533-M582 HydrophobicContact CB-SD 4.37Å; F533-M582 HydrophobicContact CD2-CE 4.3Å; F533-M582 HydrophobicContact CD2-SD 4.46Å; I554-M582 HydrophobicContact CD1-CB 4.21Å; I554-M582 HydrophobicContact CD1-CG 3.77Å; V578-M582 HydrophobicContact CG1-CE 4.24Å; V578-M582 PolarHBondContact O-N 3.11Å; L579-M582 PolarHBondContact O-N 3.1Å; P580-M582 VanDerWaalsContact C-N 3.31Å; P580-M582 PolarHBondContact O-N 2.82Å; M582-L584 PolarHBondContact O-N 3.5Å; M582-H585 PolarHBondContact O-N 2.93Å; M582-L586 VanDerWaalsContact O-CB 3.29Å; M582-L586 WeakPolarHBondContact O-CB 3.21Å; M582-L586 PolarHBondContact O-N 2.99Å
583	C	94.9	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.6	-40.8	176.5	-73.2	0	0	0	0	110.9	L579 P580 M587 I627 F638	L579-C583 WeakPolarHBondContact O-CB 3.32Å; L579-C583 PolarHBondContact O-N 3.49Å; L579-C583 PolarHBondContact O-SG 3.23Å; P580-C583 WeakPolarHBondContact O-CB 3.38Å; P580-C583 PolarHBondContact O-N 3.2Å; C583-M587 WeakPolarHBondContact O-CB 3.43Å; C583-M587 PolarHBondContact O-N 2.92Å; C583-I627 HydrophobicContact CB-CG2 3.87Å; C583-F638 HydrophobicContact CB-CE1 4.12Å
584	L	93.9	Very high	93.4	Very high	23 Å²	23	20.4 Å²	20.4	12%	0.12	9%	0.093	C	C	.	.	H	α-helix	trans	-65.4	-48.1	177.9	179.5	59.7	0	0	0	112.6	P580 D581 M582 M587 K588 V642 R645 L646 L649	P580-L584 PolarHBondContact O-N 3.03Å; P580-L584 VanDerWaalsContact O-N 3.17Å; D581-L584 WeakPolarHBondContact O-CB 3.37Å; D581-L584 PolarHBondContact O-N 3.39Å; M582-L584 PolarHBondContact O-N 3.5Å; L584-M587 PolarHBondContact O-N 2.99Å; L584-K588 VanDerWaalsContact O-CB 3.3Å; L584-K588 WeakPolarHBondContact O-CB 3.46Å; L584-K588 PolarHBondContact O-N 3.14Å; L584-V642 HydrophobicContact CB-CG1 4.2Å; L584-R645 HydrophobicContact CD1-CB 3.84Å; L584-R645 HydrophobicContact CD1-CG 3.54Å; L584-R645 HydrophobicContact CD2-CG 4.42Å; L584-L646 HydrophobicContact CB-CD2 4.3Å; L584-L646 HydrophobicContact CD1-CD2 4.09Å; L584-L646 HydrophobicContact CD1-CG 4.41Å; L584-L649 HydrophobicContact CD1-CD1 3.72Å
585	H	93.9	Very high	93.1	Very high	24 Å²	24	20 Å²	20	11%	0.111	9%	0.094	C	C	.	.	H	α-helix	trans	-64.4	-44.6	179.7	-76.4	79.4	0	0	0	112.1	E493 F533 C536 D581 M582 K588 C589	E493-H585 IonicContact OE1-CE1 3.84Å; E493-H585 PolarHBondContact OE1-CE1 2.8Å; E493-H585 IonicContact OE1-NE2 2.66Å; E493-H585 PolarHBondContact OE1-NE2 3.32Å; E493-H585 IonicContact OE2-NE2 3.32Å; F533-H585 HydrophobicContact CD2-CB 4.32Å; F533-H585 AromaticContact CD2-CG 3.94Å; F533-H585 HydrophobicContact CE2-CB 4.38Å; F533-H585 AromaticContact CE2-CD2 3.38Å; F533-H585 WeakPolarHBondContact CE2-CD2 3.33Å; F533-H585 AromaticContact CE2-CE1 3.49Å; F533-H585 VanDerWaalsContact CE2-CE1 3.49Å; F533-H585 WeakPolarHBondContact CE2-CE1 2.87Å; F533-H585 AromaticContact CE2-CG 3.52Å; F533-H585 AromaticContact CE2-ND1 3.58Å; F533-H585 AromaticContact CE2-NE2 3.37Å; F533-H585 WeakPolarHBondContact CE2-NE2 3.46Å; F533-H585 AromaticContact CZ-CD2 3.94Å; F533-H585 AromaticContact CZ-NE2 3.67Å; C536-H585 HydrophobicContact CB-CB 4.16Å; D581-H585 PolarHBondContact O-N 3.45Å; D581-H585 PolarHBondContact O-ND1 3.12Å; M582-H585 PolarHBondContact O-N 2.93Å; H585-K588 PolarHBondContact O-N 2.59Å; H585-C589 WeakPolarHBondContact O-CB 3.37Å; H585-C589 PolarHBondContact O-N 3.29Å
586	L	95.8	Very high	92.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.1	-50	176.2	179.4	60.6	0	0	0	110.8	L532 A544 S548 I554 M582 K588 C589 L590 I627	L532-L586 HydrophobicContact CD1-CD1 4.39Å; A544-L586 HydrophobicContact CB-CD1 4.17Å; S548-L586 WeakPolarHBondContact OG-CD2 3.43Å; I554-L586 HydrophobicContact CD1-CD2 4Å; I554-L586 HydrophobicContact CG2-CD2 4.18Å; M582-L586 VanDerWaalsContact O-CB 3.29Å; M582-L586 WeakPolarHBondContact O-CB 3.21Å; M582-L586 PolarHBondContact O-N 2.99Å; L586-K588 VanDerWaalsContact C-N 3.32Å; L586-K588 PolarHBondContact O-N 3.13Å; L586-C589 WeakPolarHBondContact O-CB 3.33Å; L586-C589 PolarHBondContact O-N 3.15Å; L586-L590 HydrophobicContact CD1-CD1 4.22Å; L586-L590 HydrophobicContact CD1-CG 4.18Å; L586-L590 HydrophobicContact CG-CD1 4.17Å; L586-L590 HydrophobicContact CG-CG 4.48Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.35Å; L586-L590 PolarHBondContact O-N 2.77Å; L586-I627 HydrophobicContact CD2-CD1 4.15Å; L586-I627 HydrophobicContact CG-CD1 4.28Å
587	M	95	Very high	92	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.6	-43.1	179.2	-178.9	163	174.3	0	0	111.8	C583 L584 L590 V591 I624 I627 V628 L646 L649 Q650	C583-M587 WeakPolarHBondContact O-CB 3.43Å; C583-M587 PolarHBondContact O-N 2.92Å; L584-M587 PolarHBondContact O-N 2.99Å; M587-L590 PolarHBondContact O-N 3.05Å; M587-V591 HydrophobicContact CG-CG2 4.2Å; M587-V591 WeakPolarHBondContact O-CB 3.4Å; M587-V591 WeakPolarHBondContact O-CG2 3.46Å; M587-V591 PolarHBondContact O-N 2.87Å; M587-I624 HydrophobicContact CE-CG2 3.46Å; M587-I624 VanDerWaalsContact CE-CG2 3.46Å; M587-I624 HydrophobicContact CG-CG1 4.35Å; M587-I624 HydrophobicContact CG-CG2 4.41Å; M587-I624 HydrophobicContact SD-CG2 4.23Å; M587-I627 HydrophobicContact CB-CD1 4.1Å; M587-I627 HydrophobicContact CB-CG2 4.47Å; M587-I627 HydrophobicContact SD-CG2 4.19Å; M587-V628 HydrophobicContact CE-CG2 4Å; M587-V628 HydrophobicContact SD-CG2 4.07Å; M587-L646 HydrophobicContact CB-CD2 3.98Å; M587-L646 WeakPolarHBondContact CE-O 3.35Å; M587-L646 HydrophobicContact CG-CD2 4.29Å; M587-L646 HydrophobicContact SD-CB 4.22Å; M587-L646 HydrophobicContact SD-CD2 3.51Å; M587-L646 VanDerWaalsContact SD-CD2 3.51Å; M587-L646 HydrophobicContact SD-CG 4.47Å; M587-L649 HydrophobicContact CE-CB 3.71Å; M587-L649 HydrophobicContact CG-CB 4.31Å; M587-L649 HydrophobicContact CG-CD1 4.33Å; M587-L649 HydrophobicContact SD-CB 4.46Å; M587-Q650 HydrophobicContact CE-CB 3.72Å; M587-Q650 VanDerWaalsContact CE-N 3.26Å
588	K	93.9	Very high	91.4	Very high	104 Å²	104	24.8 Å²	24.8	45%	0.452	12%	0.119	S	C	.	.	H	α-helix	trans	-59.2	-49.1	175.3	-175.9	-176.3	174	-169.5	0	111.6	L584 H585 L586 L590 V591 D592 L649	L584-K588 VanDerWaalsContact O-CB 3.3Å; L584-K588 WeakPolarHBondContact O-CB 3.46Å; L584-K588 PolarHBondContact O-N 3.14Å; H585-K588 PolarHBondContact O-N 2.59Å; L586-K588 VanDerWaalsContact C-N 3.32Å; L586-K588 PolarHBondContact O-N 3.13Å; K588-L590 VanDerWaalsContact C-N 3.33Å; K588-L590 PolarHBondContact O-N 3.48Å; K588-V591 PolarHBondContact O-N 3.15Å; K588-D592 WeakPolarHBondContact O-CB 3.27Å; K588-D592 VanDerWaalsContact O-CG 3.29Å; K588-D592 PolarHBondContact O-N 3.36Å; K588-L649 HydrophobicContact CB-CD1 3.97Å
589	C	94.8	Very high	90.6	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.034	14%	0.14	C	C	.	.	H	α-helix	trans	-56.6	-45.9	178.1	-174.3	0	0	0	0	112	C536 H585 L586 H593	C536-C589 HydrophobicContact CB-CB 4.13Å; C536-C589 PolarHBondContact O-SG 3.47Å; H585-C589 WeakPolarHBondContact O-CB 3.37Å; H585-C589 PolarHBondContact O-N 3.29Å; L586-C589 WeakPolarHBondContact O-CB 3.33Å; L586-C589 PolarHBondContact O-N 3.15Å; C589-H593 WeakPolarHBondContact O-CB 3.22Å; C589-H593 PolarHBondContact O-N 3.35Å; C589-H593 VanDerWaalsContact O-N 3.08Å
590	L	92.9	Very high	89.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.8	-43	178.8	-63.7	-179.8	0	0	0	112.5	A541 L586 M587 K588 H593 C594 Y620 Q623 I624	A541-L590 HydrophobicContact CB-CD2 4.27Å; L586-L590 HydrophobicContact CD1-CD1 4.22Å; L586-L590 HydrophobicContact CD1-CG 4.18Å; L586-L590 HydrophobicContact CG-CD1 4.17Å; L586-L590 HydrophobicContact CG-CG 4.48Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.35Å; L586-L590 PolarHBondContact O-N 2.77Å; M587-L590 PolarHBondContact O-N 3.05Å; K588-L590 VanDerWaalsContact C-N 3.33Å; K588-L590 PolarHBondContact O-N 3.48Å; L590-H593 PolarHBondContact O-N 3.24Å; L590-C594 PolarHBondContact O-N 2.9Å; L590-C594 PolarHBondContact O-SG 3.4Å; L590-C594 VanDerWaalsContact O-SG 3.33Å; L590-Y620 HydrophobicContact CD2-CD1 3.63Å; L590-Y620 HydrophobicContact CD2-CE1 4.24Å; L590-Y620 HydrophobicContact CD2-CG 4.34Å; L590-Q623 HydrophobicContact CD1-CB 4.14Å; L590-Q623 HydrophobicContact CD1-CG 3.93Å; L590-I624 HydrophobicContact CB-CD1 3.99Å; L590-I624 HydrophobicContact CB-CG1 4.12Å; L590-I624 HydrophobicContact CD1-CG1 4.33Å
591	V	91.1	Very high	88.6	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-49.8	177.2	167.7	0	0	0	0	110.4	M587 K588 H593 C594 I595 I624 L649 L653	M587-V591 HydrophobicContact CG-CG2 4.2Å; M587-V591 WeakPolarHBondContact O-CB 3.4Å; M587-V591 WeakPolarHBondContact O-CG2 3.46Å; M587-V591 PolarHBondContact O-N 2.87Å; K588-V591 PolarHBondContact O-N 3.15Å; V591-H593 VanDerWaalsContact C-N 3.26Å; V591-H593 PolarHBondContact O-N 3.5Å; V591-C594 PolarHBondContact O-N 3.44Å; V591-I595 HydrophobicContact CG1-CD1 3.73Å; V591-I595 HydrophobicContact CG1-CG1 4.46Å; V591-I595 WeakPolarHBondContact O-CG1 3.38Å; V591-I595 PolarHBondContact O-N 3.23Å; V591-I624 HydrophobicContact CG2-CD1 3.73Å; V591-I624 HydrophobicContact CG2-CG1 4.38Å; V591-L649 HydrophobicContact CG1-CD2 4.35Å; V591-L649 HydrophobicContact CG2-CB 4.33Å; V591-L653 HydrophobicContact CG1-CD2 4.13Å; V591-L653 HydrophobicContact CG1-CG 4.23Å; V591-L653 HydrophobicContact CG2-CD1 3.8Å; V591-L653 HydrophobicContact CG2-CG 4.28Å
592	D	90.6	Very high	87.3	Confident	46 Å²	46	39.1 Å²	39.1	25%	0.246	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-34.5	-178.5	-70.1	-20.4	0	0	0	111.7	K588 R596	K588-D592 WeakPolarHBondContact O-CB 3.27Å; K588-D592 VanDerWaalsContact O-CG 3.29Å; K588-D592 PolarHBondContact O-N 3.36Å; D592-R596 WeakPolarHBondContact O-CB 3.41Å; D592-R596 WeakPolarHBondContact O-CG 3.43Å; D592-R596 PolarHBondContact O-N 3.48Å; D592-R596 PolarHBondContact O-NE 3.36Å
593	H	90.1	Very high	85.8	Confident	31 Å²	31	45.5 Å²	45.5	14%	0.144	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-46.4	173.4	-175.6	85.6	0	0	0	112.4	A541 C589 L590 V591 I595 R596 Q597 Y620	A541-H593 HydrophobicContact CB-CB 3.52Å; C589-H593 WeakPolarHBondContact O-CB 3.22Å; C589-H593 PolarHBondContact O-N 3.35Å; C589-H593 VanDerWaalsContact O-N 3.08Å; L590-H593 PolarHBondContact O-N 3.24Å; V591-H593 VanDerWaalsContact C-N 3.26Å; V591-H593 PolarHBondContact O-N 3.5Å; H593-I595 PolarHBondContact O-N 3.45Å; H593-R596 PolarHBondContact O-N 2.83Å; H593-Q597 PolarHBondContact CE1-NE2 3.17Å; H593-Q597 VanDerWaalsContact CE1-NE2 3.29Å; H593-Q597 PolarHBondContact NE2-NE2 2.71Å; H593-Q597 PolarHBondContact O-N 2.81Å; H593-Y620 AromaticContact CD2-CE2 3.73Å; H593-Y620 AromaticContact NE2-CE2 3.78Å
594	C	87.9	Confident	84.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-44.4	176.1	-74.5	0	0	0	0	112	L590 V591 S598 F614 L653	L590-C594 PolarHBondContact O-N 2.9Å; L590-C594 PolarHBondContact O-SG 3.4Å; L590-C594 VanDerWaalsContact O-SG 3.33Å; V591-C594 PolarHBondContact O-N 3.44Å; C594-S598 WeakPolarHBondContact O-CB 3.47Å; C594-S598 PolarHBondContact O-N 2.58Å; C594-F614 HydrophobicContact CB-CE1 4.39Å; C594-L653 HydrophobicContact CB-CD2 4.2Å
595	I	86.4	Confident	82.6	Confident	62 Å²	62	57.2 Å²	57.2	32%	0.318	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-49.6	177.4	-67.1	169.5	0	0	0	110.2	V591 H593 Q597 S598 T599 L653	V591-I595 HydrophobicContact CG1-CD1 3.73Å; V591-I595 HydrophobicContact CG1-CG1 4.46Å; V591-I595 WeakPolarHBondContact O-CG1 3.38Å; V591-I595 PolarHBondContact O-N 3.23Å; H593-I595 PolarHBondContact O-N 3.45Å; I595-Q597 PolarHBondContact O-N 3.37Å; I595-S598 WeakPolarHBondContact O-CB 3.35Å; I595-S598 PolarHBondContact O-N 3.06Å; I595-T599 PolarHBondContact O-N 2.88Å; I595-T599 PolarHBondContact O-OG1 2.93Å; I595-T599 VanDerWaalsContact O-OG1 3.04Å; I595-L653 HydrophobicContact CG1-CD2 4.07Å
596	R	85.7	Confident	80.6	Confident	102 Å²	102	59.3 Å²	59.3	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-44.4	-179.8	-82.9	-177.4	-100.4	-156.3	-20.2	113.7	E539 D592 H593 S598 T599 T600	E539-R596 IonicContact OE1-CZ 3.11Å; E539-R596 IonicContact OE1-NH1 3.3Å; E539-R596 IonicContact OE1-NH2 2.63Å; E539-R596 PolarHBondContact OE1-NH2 2.85Å; E539-R596 IonicContact OE2-CZ 3.05Å; E539-R596 VanDerWaalsContact OE2-CZ 3.3Å; E539-R596 IonicContact OE2-NH1 3.27Å; E539-R596 PolarHBondContact OE2-NH1 2.81Å; E539-R596 IonicContact OE2-NH2 3.17Å; E539-R596 PolarHBondContact OE2-NH2 3.21Å; E539-R596 VanDerWaalsContact OE2-NH2 3.11Å; D592-R596 WeakPolarHBondContact O-CB 3.41Å; D592-R596 WeakPolarHBondContact O-CG 3.43Å; D592-R596 PolarHBondContact O-N 3.48Å; D592-R596 PolarHBondContact O-NE 3.36Å; H593-R596 PolarHBondContact O-N 2.83Å; R596-S598 VanDerWaalsContact C-N 3.32Å; R596-T599 PolarHBondContact O-N 3.11Å; R596-T600 WeakPolarHBondContact O-CB 3.49Å; R596-T600 PolarHBondContact O-N 3.09Å; R596-T600 PolarHBondContact O-OG1 2.97Å
597	Q	82.3	Confident	78.4	Confident	65 Å²	65	67.7 Å²	67.7	30%	0.304	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-39	177.3	-75.7	-157.4	-1	0	0	111.5	H593 I595 T600 Q601 M613	H593-Q597 PolarHBondContact CE1-NE2 3.17Å; H593-Q597 VanDerWaalsContact CE1-NE2 3.29Å; H593-Q597 PolarHBondContact NE2-NE2 2.71Å; H593-Q597 PolarHBondContact O-N 2.81Å; I595-Q597 PolarHBondContact O-N 3.37Å; Q597-T600 PolarHBondContact O-N 3.4Å; Q597-Q601 WeakPolarHBondContact O-CG 3.43Å; Q597-Q601 PolarHBondContact O-N 3.15Å; Q597-M613 HydrophobicContact CB-CE 3.77Å; Q597-M613 HydrophobicContact CB-CG 4.45Å; Q597-M613 HydrophobicContact CG-CE 4.29Å
598	S	79.7	Confident	76.2	Confident	35 Å²	35	71.6 Å²	71.6	25%	0.245	40%	0.398	C	S	.	.	H	α-helix	trans	-61.8	-47.4	174.5	-174.5	0	0	0	0	112.2	C594 I595 R596 T600 Q601 A602 F614	C594-S598 WeakPolarHBondContact O-CB 3.47Å; C594-S598 PolarHBondContact O-N 2.58Å; I595-S598 WeakPolarHBondContact O-CB 3.35Å; I595-S598 PolarHBondContact O-N 3.06Å; R596-S598 VanDerWaalsContact C-N 3.32Å; S598-T600 VanDerWaalsContact C-N 3.33Å; S598-T600 PolarHBondContact O-N 3.11Å; S598-Q601 PolarHBondContact O-N 3.27Å; S598-A602 PolarHBondContact O-N 3.27Å; S598-F614 WeakPolarHBondContact OG-CE2 3.28Å
599	T	78	Confident	74	Confident	74 Å²	74	72 Å²	72	45%	0.454	42%	0.421	S	S	.	.	H	α-helix	trans	-62.9	-38.5	176.4	-51.2	0	0	0	0	112.3	I595 R596 A602 N603	I595-T599 PolarHBondContact O-N 2.88Å; I595-T599 PolarHBondContact O-OG1 2.93Å; I595-T599 VanDerWaalsContact O-OG1 3.04Å; R596-T599 PolarHBondContact O-N 3.11Å; T599-A602 PolarHBondContact O-N 2.93Å; T599-N603 PolarHBondContact O-N 3.33Å; T599-N603 VanDerWaalsContact O-N 3.11Å
600	T	75.9	Confident	71.7	Confident	70 Å²	70	76.3 Å²	76.3	43%	0.429	45%	0.447	S	S	.	.	H	α-helix	trans	-67.5	-38.2	178.5	-54.2	0	0	0	0	111.8	R596 Q597 S598 R604	R596-T600 WeakPolarHBondContact O-CB 3.49Å; R596-T600 PolarHBondContact O-N 3.09Å; R596-T600 PolarHBondContact O-OG1 2.97Å; Q597-T600 PolarHBondContact O-N 3.4Å; S598-T600 VanDerWaalsContact C-N 3.33Å; S598-T600 PolarHBondContact O-N 3.11Å; T600-R604 WeakPolarHBondContact O-CG 3.48Å; T600-R604 PolarHBondContact O-N 3.22Å
601	Q	70.3	Confident	69.8	Low	101 Å²	101	80.8 Å²	80.8	47%	0.472	47%	0.474	S	S	.	.	H	α-helix	trans	-68.8	-41.1	175.4	-74.3	179.2	7.5	0	0	112	Q597 S598 N603 R604	Q597-Q601 WeakPolarHBondContact O-CG 3.43Å; Q597-Q601 PolarHBondContact O-N 3.15Å; S598-Q601 PolarHBondContact O-N 3.27Å; Q601-N603 VanDerWaalsContact C-N 3.34Å; Q601-N603 PolarHBondContact O-N 3.31Å; Q601-R604 PolarHBondContact O-N 3.25Å
602	A	64.6	Low	68.5	Low	77 Å²	77	84.2 Å²	84.2	64%	0.636	50%	0.499	S	S	*	.	H	α-helix	trans	-61.2	-40.2	176.6	0	0	0	0	0	112.6	S598 T599 R604	S598-A602 PolarHBondContact O-N 3.27Å; T599-A602 PolarHBondContact O-N 2.93Å; A602-R604 VanDerWaalsContact C-N 3.32Å; A602-R604 PolarHBondContact O-N 3.36Å
603	N	64.3	Low	67.4	Low	136 Å²	136	83 Å²	83	73%	0.727	49%	0.492	S	S	*	.	H	α-helix	trans	-73.8	-18	179.4	-75.9	-13.7	0	0	0	114.3	T599 Q601	T599-N603 PolarHBondContact O-N 3.33Å; T599-N603 VanDerWaalsContact O-N 3.11Å; Q601-N603 VanDerWaalsContact C-N 3.34Å; Q601-N603 PolarHBondContact O-N 3.31Å
604	R	64.3	Low	66.6	Low	204 Å²	204	84.5 Å²	84.5	77%	0.77	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	4	179.8	-75.2	-176.4	178	-172.8	1.1	114.1	T600 Q601 A602 A606	T600-R604 WeakPolarHBondContact O-CG 3.48Å; T600-R604 PolarHBondContact O-N 3.22Å; Q601-R604 PolarHBondContact O-N 3.25Å; A602-R604 VanDerWaalsContact C-N 3.32Å; A602-R604 PolarHBondContact O-N 3.36Å; R604-A606 PolarHBondContact O-N 3.17Å; R604-A606 VanDerWaalsContact O-N 3.08Å
605	G	56.9	Low	66	Low	64 Å²	64	86.1 Å²	86.1	66%	0.66	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	21.1	175.3	0	0	0	0	0	114.5	N607	G605-N607 PolarHBondContact O-N 3.48Å
606	A	52.6	Low	65.2	Low	69 Å²	69	86.4 Å²	86.4	57%	0.57	52%	0.517	S	S	*	.			trans	-82.2	102.4	-175.3	0	0	0	0	0	110.4	R604 S608	R604-A606 PolarHBondContact O-N 3.17Å; R604-A606 VanDerWaalsContact O-N 3.08Å; A606-S608 PolarHBondContact O-N 2.98Å
607	N	50.2	Low	64.6	Low	176 Å²	176	85.9 Å²	85.9	94%	0.941	53%	0.529	S	S	*	.			trans	-70.1	58.3	164.5	-78.3	-15.8	0	0	0	111.4	G605	G605-N607 PolarHBondContact O-N 3.48Å
608	S	48	Very low	64.7	Low	82 Å²	82	83.8 Å²	83.8	57%	0.573	52%	0.52	S	S	*	.			trans	-96.4	108.2	169.3	-164.5	0	0	0	0	109.5	A606 T610	A606-S608 PolarHBondContact O-N 2.98Å; S608-T610 PolarHBondContact O-N 3.05Å; S608-T610 PolarHBondContact OG-OG1 3.31Å
609	A	47.8	Very low	65.1	Low	111 Å²	111	86.8 Å²	86.8	92%	0.917	53%	0.526	S	S	*	.			trans	-73	44.2	173.3	0	0	0	0	0	112.6
610	T	46.3	Very low	65.7	Low	96 Å²	96	83.8 Å²	83.8	59%	0.589	51%	0.506	S	S	*	.	S	Bend	trans	-127.6	100.6	-178.7	54.8	0	0	0	0	110.4	S608	S608-T610 PolarHBondContact O-N 3.05Å; S608-T610 PolarHBondContact OG-OG1 3.31Å
611	T	53.2	Low	66.3	Low	94 Å²	94	80.4 Å²	80.4	58%	0.577	49%	0.486	S	S	*	.			trans	66.7	94.6	166.1	-40.7	0	0	0	0	114.7	M613	T611-M613 PolarHBondContact O-N 3.43Å
612	S	63.5	Low	67.3	Low	74 Å²	74	78.3 Å²	78.3	52%	0.517	48%	0.475	S	S	.	.			trans	-43.5	129.2	161	166.2	0	0	0	0	109.5	F614 S615	S612-F614 PolarHBondContact O-N 2.83Å; S612-F614 VanDerWaalsContact O-N 3.1Å; S612-F614 PolarHBondContact OG-N 2.98Å; S612-F614 VanDerWaalsContact OG-N 3.17Å; S612-S615 WeakPolarHBondContact O-CA 3.34Å; S612-S615 WeakPolarHBondContact O-CB 3.18Å; S612-S615 PolarHBondContact O-N 3.28Å; S612-S615 PolarHBondContact OG-N 2.94Å
613	M	67.8	Low	68.6	Low	20 Å²	20	74.6 Å²	74.6	10%	0.099	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.8	174.8	-77.2	-60.5	-66.8	0	0	112.3	Q597 T611 S615 N618 V621	Q597-M613 HydrophobicContact CB-CE 3.77Å; Q597-M613 HydrophobicContact CB-CG 4.45Å; Q597-M613 HydrophobicContact CG-CE 4.29Å; T611-M613 PolarHBondContact O-N 3.43Å; M613-S615 VanDerWaalsContact C-N 3.35Å; M613-N618 WeakPolarHBondContact CE-ND2 3.49Å; M613-N618 PolarHBondContact O-ND2 3.5Å; M613-V621 WeakPolarHBondContact O-CG2 3.31Å
614	F	72.8	Confident	70	Confident	62 Å²	62	68.3 Å²	68.3	27%	0.272	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	7.7	173	-50.5	-60.3	0	0	0	113	C594 S598 S612 L653 I655	C594-F614 HydrophobicContact CB-CE1 4.39Å; S598-F614 WeakPolarHBondContact OG-CE2 3.28Å; S612-F614 PolarHBondContact O-N 2.83Å; S612-F614 VanDerWaalsContact O-N 3.1Å; S612-F614 PolarHBondContact OG-N 2.98Å; S612-F614 VanDerWaalsContact OG-N 3.17Å; F614-L653 HydrophobicContact CD1-CB 4.3Å; F614-L653 HydrophobicContact CD1-CD2 3.67Å; F614-L653 HydrophobicContact CE1-CD2 3.4Å; F614-L653 VanDerWaalsContact CE1-CD2 3.4Å; F614-I655 HydrophobicContact CB-CD1 4.13Å; F614-I655 WeakPolarHBondContact O-CD1 3.47Å
615	S	74.8	Confident	71.3	Confident	34 Å²	34	61.6 Å²	61.6	24%	0.238	39%	0.387	C	S	.	.			trans	-61.2	140.8	175.5	178.6	0	0	0	0	110.4	S612 M613 S617 N618	S612-S615 WeakPolarHBondContact O-CA 3.34Å; S612-S615 WeakPolarHBondContact O-CB 3.18Å; S612-S615 PolarHBondContact O-N 3.28Å; S612-S615 PolarHBondContact OG-N 2.94Å; M613-S615 VanDerWaalsContact C-N 3.35Å; S615-S617 PolarHBondContact O-N 2.75Å; S615-S617 PolarHBondContact OG-N 3.15Å; S615-N618 WeakPolarHBondContact O-CB 3.4Å; S615-N618 PolarHBondContact O-N 2.88Å
616	S	69.9	Low	73	Confident	68 Å²	68	58.6 Å²	58.6	48%	0.476	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.2	174.1	-67.2	0	0	0	0	113.4	K622 K625	S616-K622 WeakPolarHBondContact O-CG 3.48Å; S616-K625 PolarHBondContact OG-NZ 3.01Å
617	S	73.1	Confident	75	Confident	92 Å²	92	55.3 Å²	55.3	64%	0.643	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-12	173.9	-52	0	0	0	0	113.7	S615	S615-S617 PolarHBondContact O-N 2.75Å; S615-S617 PolarHBondContact OG-N 3.15Å
618	N	85.7	Confident	77	Confident	20 Å²	20	47.9 Å²	47.9	11%	0.107	29%	0.289	C	S	.	.	S	Bend	trans	-71.2	128.5	178.3	-175	-43.2	0	0	0	110.3	M613 S615 Y620 V621 K622	M613-N618 WeakPolarHBondContact CE-ND2 3.49Å; M613-N618 PolarHBondContact O-ND2 3.5Å; S615-N618 WeakPolarHBondContact O-CB 3.4Å; S615-N618 PolarHBondContact O-N 2.88Å; N618-Y620 PolarHBondContact O-N 2.89Å; N618-Y620 WeakPolarHBondContact OD1-CB 3.32Å; N618-Y620 VanDerWaalsContact OD1-CD2 3.3Å; N618-Y620 WeakPolarHBondContact OD1-CD2 3.38Å; N618-Y620 PolarHBondContact OD1-N 3.04Å; N618-V621 HydrophobicContact CB-CB 4.11Å; N618-V621 HydrophobicContact CB-CG2 3.93Å; N618-V621 PolarHBondContact O-N 3.32Å; N618-V621 VanDerWaalsContact O-N 3.11Å; N618-K622 WeakPolarHBondContact O-CG 3.48Å; N618-K622 PolarHBondContact O-N 2.94Å
619	R	87.9	Confident	79.1	Confident	98 Å²	98	47.7 Å²	47.7	37%	0.37	28%	0.282	S	S	.	.	H	α-helix	trans	-55.3	-35.4	-178.5	68.9	-177.3	-116.1	-157.4	-7.1	113.8	Y545 Q623	Y545-R619 VanDerWaalsContact CD1-CZ 3.44Å; Y545-R619 VanDerWaalsContact CE1-NE 3.29Å; Y545-R619 HydrophobicContact CE2-CB 4.19Å; Y545-R619 HydrophobicContact CE2-CG 4.22Å; R619-Q623 PolarHBondContact O-N 3.2Å; R619-Q623 VanDerWaalsContact O-N 3.17Å
620	Y	90.1	Very high	81.3	Confident	11 Å²	11	42.5 Å²	42.5	4%	0.043	24%	0.239	C	C	.	.	H	α-helix	trans	-71.8	-43.3	178.7	-54.1	-51.9	0	0	0	111	E542 Y545 L590 H593 N618 K622 Q623 I624	E542-Y620 PolarHBondContact OE1-OH 3.48Å; Y545-Y620 AromaticContact CD2-CD1 3.71Å; Y545-Y620 HydrophobicContact CD2-CD1 3.71Å; Y545-Y620 AromaticContact CD2-CE1 3.93Å; Y545-Y620 HydrophobicContact CD2-CE1 3.93Å; Y545-Y620 HydrophobicContact CE2-CD1 4.34Å; Y545-Y620 HydrophobicContact CG-CD1 4.27Å; Y545-Y620 HydrophobicContact CG-CE1 4.01Å; L590-Y620 HydrophobicContact CD2-CD1 3.63Å; L590-Y620 HydrophobicContact CD2-CE1 4.24Å; L590-Y620 HydrophobicContact CD2-CG 4.34Å; H593-Y620 AromaticContact CD2-CE2 3.73Å; H593-Y620 AromaticContact NE2-CE2 3.78Å; N618-Y620 PolarHBondContact O-N 2.89Å; N618-Y620 WeakPolarHBondContact OD1-CB 3.32Å; N618-Y620 VanDerWaalsContact OD1-CD2 3.3Å; N618-Y620 WeakPolarHBondContact OD1-CD2 3.38Å; N618-Y620 PolarHBondContact OD1-N 3.04Å; Y620-K622 VanDerWaalsContact C-N 3.33Å; Y620-K622 PolarHBondContact O-N 3.48Å; Y620-Q623 PolarHBondContact O-N 3.48Å; Y620-I624 WeakPolarHBondContact O-CD1 3.3Å; Y620-I624 VanDerWaalsContact O-CG1 3.25Å; Y620-I624 WeakPolarHBondContact O-CG1 3.46Å; Y620-I624 PolarHBondContact O-N 2.96Å
621	V	88.3	Confident	83.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-40.7	175.8	171.4	0	0	0	0	111.4	M613 N618 I624 K625 I655	M613-V621 WeakPolarHBondContact O-CG2 3.31Å; N618-V621 HydrophobicContact CB-CB 4.11Å; N618-V621 HydrophobicContact CB-CG2 3.93Å; N618-V621 PolarHBondContact O-N 3.32Å; N618-V621 VanDerWaalsContact O-N 3.11Å; V621-I624 PolarHBondContact O-N 3.32Å; V621-K625 PolarHBondContact O-N 2.89Å; V621-I655 HydrophobicContact CB-CD1 4.39Å; V621-I655 HydrophobicContact CG1-CD1 3.51Å; V621-I655 HydrophobicContact CG1-CG2 4.35Å; V621-I655 HydrophobicContact CG2-CD1 3.98Å
622	K	90.6	Very high	85.2	Confident	56 Å²	56	38 Å²	38	24%	0.243	22%	0.22	C	C	.	.	H	α-helix	trans	-60.7	-45	175.3	-70.9	-178.6	169.3	-155.5	0	112.2	T556 E557 S616 N618 Y620 K625 A626	T556-K622 CarbonylContact O-C 3.5Å; E557-K622 WeakPolarHBondContact OE1-CD 3.35Å; E557-K622 IonicContact OE1-NZ 3.72Å; E557-K622 PolarHBondContact OE1-NZ 3.01Å; E557-K622 WeakPolarHBondContact OE2-CD 3.4Å; E557-K622 IonicContact OE2-NZ 3.65Å; E557-K622 PolarHBondContact OE2-NZ 3.23Å; S616-K622 WeakPolarHBondContact O-CG 3.48Å; N618-K622 WeakPolarHBondContact O-CG 3.48Å; N618-K622 PolarHBondContact O-N 2.94Å; Y620-K622 VanDerWaalsContact C-N 3.33Å; Y620-K622 PolarHBondContact O-N 3.48Å; K622-K625 PolarHBondContact O-N 3.25Å; K622-A626 WeakPolarHBondContact O-CB 3.28Å; K622-A626 PolarHBondContact O-N 2.83Å
623	Q	93.2	Very high	86.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.9	-38.8	177.4	-178.1	164	33.8	0	0	111.8	Y545 S548 T556 L590 R619 Y620 K625 A626 I627	Y545-Q623 HydrophobicContact CE2-CB 4.18Å; S548-Q623 PolarHBondContact OG-NE2 3Å; T556-Q623 WeakPolarHBondContact O-CA 3.37Å; T556-Q623 WeakPolarHBondContact O-CB 3.37Å; T556-Q623 PolarHBondContact O-N 3.45Å; T556-Q623 VanDerWaalsContact O-N 3.16Å; L590-Q623 HydrophobicContact CD1-CB 4.14Å; L590-Q623 HydrophobicContact CD1-CG 3.93Å; R619-Q623 PolarHBondContact O-N 3.2Å; R619-Q623 VanDerWaalsContact O-N 3.17Å; Y620-Q623 PolarHBondContact O-N 3.48Å; Q623-K625 PolarHBondContact O-N 3.42Å; Q623-A626 WeakPolarHBondContact O-CB 3.38Å; Q623-A626 PolarHBondContact O-N 2.9Å; Q623-A626 VanDerWaalsContact O-N 3.16Å; Q623-I627 HydrophobicContact CG-CD1 3.99Å; Q623-I627 HydrophobicContact CG-CG1 4.31Å; Q623-I627 VanDerWaalsContact O-CG1 3.29Å; Q623-I627 WeakPolarHBondContact O-CG1 3.37Å; Q623-I627 PolarHBondContact O-N 3.42Å
624	I	92.6	Very high	87.6	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-47.9	174.8	-71.5	164.3	0	0	0	111.3	M587 L590 V591 Y620 V621 A626 I627 V628 L653	M587-I624 HydrophobicContact CE-CG2 3.46Å; M587-I624 VanDerWaalsContact CE-CG2 3.46Å; M587-I624 HydrophobicContact CG-CG1 4.35Å; M587-I624 HydrophobicContact CG-CG2 4.41Å; M587-I624 HydrophobicContact SD-CG2 4.23Å; L590-I624 HydrophobicContact CB-CD1 3.99Å; L590-I624 HydrophobicContact CB-CG1 4.12Å; L590-I624 HydrophobicContact CD1-CG1 4.33Å; V591-I624 HydrophobicContact CG2-CD1 3.73Å; V591-I624 HydrophobicContact CG2-CG1 4.38Å; Y620-I624 WeakPolarHBondContact O-CD1 3.3Å; Y620-I624 VanDerWaalsContact O-CG1 3.25Å; Y620-I624 WeakPolarHBondContact O-CG1 3.46Å; Y620-I624 PolarHBondContact O-N 2.96Å; V621-I624 PolarHBondContact O-N 3.32Å; I624-A626 VanDerWaalsContact C-N 3.3Å; I624-A626 PolarHBondContact O-N 2.75Å; I624-I627 PolarHBondContact O-N 2.93Å; I624-V628 PolarHBondContact O-N 2.73Å; I624-L653 HydrophobicContact CD1-CD1 3.57Å; I624-L653 HydrophobicContact CG2-CD1 4.4Å
625	K	91.4	Very high	88.2	Confident	64 Å²	64	39.1 Å²	39.1	28%	0.278	23%	0.232	S	C	.	.	H	α-helix	trans	-60	-41.5	174.6	-70.8	-177.8	178	-173.3	0	111.9	P558 S616 V621 K622 Q623 V628 L629 I655	P558-K625 HydrophobicContact CG-CB 4.35Å; S616-K625 PolarHBondContact OG-NZ 3.01Å; V621-K625 PolarHBondContact O-N 2.89Å; K622-K625 PolarHBondContact O-N 3.25Å; Q623-K625 PolarHBondContact O-N 3.42Å; K625-V628 PolarHBondContact O-N 3.08Å; K625-L629 PolarHBondContact O-N 2.83Å; K625-L629 VanDerWaalsContact O-N 3.08Å; K625-I655 HydrophobicContact CD-CG2 4.24Å; K625-I655 HydrophobicContact CG-CG2 4.22Å
626	A	93.1	Very high	88.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-41	178.8	0	0	0	0	0	112.2	P555 V561 K622 Q623 I624 L629 Y630	P555-A626 HydrophobicContact CB-CB 4.08Å; P555-A626 HydrophobicContact CG-CB 4.21Å; P555-A626 WeakPolarHBondContact O-CB 3.46Å; V561-A626 HydrophobicContact CG2-CB 4.16Å; K622-A626 WeakPolarHBondContact O-CB 3.28Å; K622-A626 PolarHBondContact O-N 2.83Å; Q623-A626 WeakPolarHBondContact O-CB 3.38Å; Q623-A626 PolarHBondContact O-N 2.9Å; Q623-A626 VanDerWaalsContact O-N 3.16Å; I624-A626 VanDerWaalsContact C-N 3.3Å; I624-A626 PolarHBondContact O-N 2.75Å; A626-L629 PolarHBondContact O-N 2.62Å; A626-Y630 WeakPolarHBondContact O-CB 3.34Å; A626-Y630 PolarHBondContact O-N 2.8Å
627	I	94.4	Very high	89.5	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-45.5	176.6	-71.3	166.4	0	0	0	111.1	I554 C583 L586 M587 Q623 I624 Y630 S631 L646	I554-I627 HydrophobicContact CG2-CD1 4.21Å; I554-I627 HydrophobicContact CG2-CG1 3.62Å; C583-I627 HydrophobicContact CB-CG2 3.87Å; L586-I627 HydrophobicContact CD2-CD1 4.15Å; L586-I627 HydrophobicContact CG-CD1 4.28Å; M587-I627 HydrophobicContact CB-CD1 4.1Å; M587-I627 HydrophobicContact CB-CG2 4.47Å; M587-I627 HydrophobicContact SD-CG2 4.19Å; Q623-I627 HydrophobicContact CG-CD1 3.99Å; Q623-I627 HydrophobicContact CG-CG1 4.31Å; Q623-I627 VanDerWaalsContact O-CG1 3.29Å; Q623-I627 WeakPolarHBondContact O-CG1 3.37Å; Q623-I627 PolarHBondContact O-N 3.42Å; I624-I627 PolarHBondContact O-N 2.93Å; I627-Y630 WeakPolarHBondContact O-CB 3.42Å; I627-Y630 PolarHBondContact O-N 2.85Å; I627-S631 WeakPolarHBondContact O-CB 3.29Å; I627-S631 PolarHBondContact O-N 3.24Å; I627-L646 HydrophobicContact CG2-CD2 4.04Å
628	V	92.4	Very high	90.3	Very high	20 Å²	20	43.1 Å²	43.1	12%	0.121	22%	0.223	C	C	.	.	H	α-helix	trans	-65	-47.4	179.4	176.3	0	0	0	0	110.6	M587 I624 K625 Y630 S631 A632 L647 Q650	M587-V628 HydrophobicContact CE-CG2 4Å; M587-V628 HydrophobicContact SD-CG2 4.07Å; I624-V628 PolarHBondContact O-N 2.73Å; K625-V628 PolarHBondContact O-N 3.08Å; V628-Y630 VanDerWaalsContact C-N 3.29Å; V628-Y630 PolarHBondContact O-N 3.24Å; V628-S631 PolarHBondContact O-N 2.93Å; V628-S631 PolarHBondContact O-OG 3.38Å; V628-A632 PolarHBondContact O-N 3.09Å; V628-L647 HydrophobicContact CG1-CD2 3.94Å; V628-Q650 HydrophobicContact CG2-CB 4.33Å; V628-Q650 HydrophobicContact CG2-CG 4.46Å
629	L	92.4	Very high	90.5	Very high	79 Å²	79	44.4 Å²	44.4	41%	0.414	23%	0.233	S	C	.	.	H	α-helix	trans	-60	-40.7	176.7	-176.2	60.4	0	0	0	111.7	V561 K625 A626 A632 T633	V561-L629 HydrophobicContact CB-CD2 4.2Å; V561-L629 HydrophobicContact CB-CG 4.42Å; V561-L629 HydrophobicContact CG1-CD2 4.35Å; V561-L629 HydrophobicContact CG1-CG 4.06Å; V561-L629 HydrophobicContact CG2-CB 4.32Å; V561-L629 HydrophobicContact CG2-CD2 4.04Å; V561-L629 HydrophobicContact CG2-CG 4.28Å; K625-L629 PolarHBondContact O-N 2.83Å; K625-L629 VanDerWaalsContact O-N 3.08Å; A626-L629 PolarHBondContact O-N 2.62Å; L629-A632 PolarHBondContact O-N 3.06Å; L629-T633 HydrophobicContact CD1-CG2 4.04Å; L629-T633 WeakPolarHBondContact O-CB 3.5Å; L629-T633 WeakPolarHBondContact O-CG2 3.3Å; L629-T633 PolarHBondContact O-N 3.34Å; L629-T633 VanDerWaalsContact O-N 3.16Å; L629-T633 PolarHBondContact O-OG1 2.8Å
630	Y	93.9	Very high	90.5	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-49.2	176.3	178.7	-119.6	0	0	0	112.2	L553 P555 V561 I564 V565 F568 A626 I627 V628 A632 T633 V634 F638	L553-Y630 PolarHBondContact O-OH 3.25Å; P555-Y630 HydrophobicContact CG-CD1 4.39Å; P555-Y630 HydrophobicContact CG-CD2 4.09Å; P555-Y630 HydrophobicContact CG-CG 3.78Å; V561-Y630 HydrophobicContact CG1-CD2 4.4Å; I564-Y630 HydrophobicContact CG2-CE2 3.87Å; V565-Y630 HydrophobicContact CG2-CD2 3.7Å; V565-Y630 HydrophobicContact CG2-CE2 3.9Å; F568-Y630 VanDerWaalsContact CD2-OH 3.27Å; F568-Y630 WeakPolarHBondContact CD2-OH 3.45Å; F568-Y630 WeakPolarHBondContact CE2-OH 3.49Å; A626-Y630 WeakPolarHBondContact O-CB 3.34Å; A626-Y630 PolarHBondContact O-N 2.8Å; I627-Y630 WeakPolarHBondContact O-CB 3.42Å; I627-Y630 PolarHBondContact O-N 2.85Å; V628-Y630 VanDerWaalsContact C-N 3.29Å; V628-Y630 PolarHBondContact O-N 3.24Å; Y630-A632 PolarHBondContact O-N 3.3Å; Y630-A632 VanDerWaalsContact O-N 3.13Å; Y630-T633 PolarHBondContact O-N 3.24Å; Y630-T633 VanDerWaalsContact O-N 3.08Å; Y630-T633 PolarHBondContact O-OG1 3.5Å; Y630-V634 HydrophobicContact CD2-CB 4.24Å; Y630-V634 HydrophobicContact CE2-CB 3.94Å; Y630-V634 HydrophobicContact CE2-CG2 3.84Å; Y630-V634 WeakPolarHBondContact O-CB 3.31Å; Y630-V634 WeakPolarHBondContact O-CG1 3.22Å; Y630-V634 PolarHBondContact O-N 3.31Å; Y630-F638 HydrophobicContact CE1-CZ 4.46Å
631	S	93	Very high	90.4	Very high	14 Å²	14	50 Å²	50	10%	0.098	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-26.4	179	74.3	0	0	0	0	113.5	I627 V628	I627-S631 WeakPolarHBondContact O-CB 3.29Å; I627-S631 PolarHBondContact O-N 3.24Å; V628-S631 PolarHBondContact O-N 2.93Å; V628-S631 PolarHBondContact O-OG 3.38Å
632	A	89.4	Confident	90.5	Very high	82 Å²	82	50 Å²	50	68%	0.678	27%	0.271	S	S	*	.	H	α-helix	trans	-88	-22.3	178.8	0	0	0	0	0	114	V628 L629 Y630	V628-A632 PolarHBondContact O-N 3.09Å; L629-A632 PolarHBondContact O-N 3.06Å; Y630-A632 PolarHBondContact O-N 3.3Å; Y630-A632 VanDerWaalsContact O-N 3.13Å
633	T	90.6	Very high	90.4	Very high	68 Å²	68	49.6 Å²	49.6	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-110.6	-23	-170.2	52.1	0	0	0	0	113.8	V561 L629 Y630	V561-T633 WeakPolarHBondContact CG1-OG1 3.46Å; L629-T633 HydrophobicContact CD1-CG2 4.04Å; L629-T633 WeakPolarHBondContact O-CB 3.5Å; L629-T633 WeakPolarHBondContact O-CG2 3.3Å; L629-T633 PolarHBondContact O-N 3.34Å; L629-T633 VanDerWaalsContact O-N 3.16Å; L629-T633 PolarHBondContact O-OG1 2.8Å; Y630-T633 PolarHBondContact O-N 3.24Å; Y630-T633 VanDerWaalsContact O-N 3.08Å; Y630-T633 PolarHBondContact O-OG1 3.5Å
634	V	90	Very high	90.3	Very high	12 Å²	12	52.9 Å²	52.9	7%	0.073	30%	0.296	C	S	.	.	S	Bend	trans	-64.2	138.2	-179.2	69	0	0	0	0	111.3	V565 F568 Y630 Y636 F638	V565-V634 HydrophobicContact CG2-CB 4.31Å; F568-V634 HydrophobicContact CB-CG2 4.33Å; F568-V634 HydrophobicContact CD1-CG2 3.88Å; F568-V634 HydrophobicContact CD2-CG2 3.43Å; F568-V634 VanDerWaalsContact CD2-CG2 3.43Å; F568-V634 HydrophobicContact CE1-CG2 3.97Å; F568-V634 HydrophobicContact CE2-CG2 3.5Å; F568-V634 VanDerWaalsContact CE2-CG2 3.5Å; F568-V634 HydrophobicContact CG-CG2 3.61Å; F568-V634 HydrophobicContact CZ-CG2 3.78Å; Y630-V634 HydrophobicContact CD2-CB 4.24Å; Y630-V634 HydrophobicContact CE2-CB 3.94Å; Y630-V634 HydrophobicContact CE2-CG2 3.84Å; Y630-V634 WeakPolarHBondContact O-CB 3.31Å; Y630-V634 WeakPolarHBondContact O-CG1 3.22Å; Y630-V634 PolarHBondContact O-N 3.31Å; V634-Y636 PolarHBondContact O-N 2.69Å; V634-F638 HydrophobicContact CG1-CD2 3.99Å; V634-F638 HydrophobicContact CG1-CE2 3.56Å
635	P	85.2	Confident	90.2	Very high	99 Å²	99	57.8 Å²	57.8	64%	0.643	31%	0.314	S	S	*	.	S	Bend	trans	-76.1	48.3	178	33.3	-38.4	0	0	0	111.8	F568	F568-P635 HydrophobicContact CD1-CG 4.04Å
636	Y	86.6	Confident	90.3	Very high	81 Å²	81	54.7 Å²	54.7	32%	0.318	30%	0.301	S	S	.	.	S	Bend	trans	-146.4	125.4	177.4	-171.3	-96.6	0	0	0	109	F568 R576 P580 V634 F638	F568-Y636 HydrophobicContact CE1-CD2 4.3Å; F568-Y636 HydrophobicContact CE1-CG 4.18Å; F568-Y636 VanDerWaalsContact CZ-CB 3.49Å; F568-Y636 HydrophobicContact CZ-CD2 4.26Å; F568-Y636 AromaticContact CZ-CG 3.9Å; F568-Y636 HydrophobicContact CZ-CG 3.9Å; R576-Y636 HydrophobicContact CB-CE2 4.47Å; P580-Y636 HydrophobicContact CG-CD1 4.27Å; P580-Y636 HydrophobicContact CG-CE1 3.88Å; V634-Y636 PolarHBondContact O-N 2.69Å; Y636-F638 HydrophobicContact CD1-CD2 4.39Å; Y636-F638 PolarHBondContact O-N 2.84Å; Y636-F638 VanDerWaalsContact O-N 3.11Å
637	K	85.8	Confident	90.1	Very high	187 Å²	187	59.1 Å²	59.1	81%	0.813	32%	0.324	S	S	*	.			trans	-77.4	105.5	-174.1	-172.9	174.1	-179.8	-179.9	0	110.1
638	F	89.6	Confident	90	Very high	9 Å²	9	64.4 Å²	64.4	4%	0.039	35%	0.349	C	S	.	.			trans	-61	142.7	171	-84.8	-131.9	0	0	0	110.1	P580 C583 Y630 V634 Y636 V642 L646	P580-F638 VanDerWaalsContact CA-CE1 3.49Å; P580-F638 HydrophobicContact CB-CD1 3.74Å; P580-F638 HydrophobicContact CB-CD2 4.45Å; P580-F638 HydrophobicContact CB-CE1 3.89Å; P580-F638 HydrophobicContact CB-CG 4.04Å; P580-F638 HydrophobicContact CB-CZ 4.28Å; P580-F638 HydrophobicContact CG-CD1 4.29Å; P580-F638 HydrophobicContact CG-CD2 4.13Å; P580-F638 HydrophobicContact CG-CE1 4.34Å; P580-F638 HydrophobicContact CG-CE2 4.12Å; P580-F638 HydrophobicContact CG-CG 4.2Å; P580-F638 HydrophobicContact CG-CZ 4.24Å; C583-F638 HydrophobicContact CB-CE1 4.12Å; Y630-F638 HydrophobicContact CE1-CZ 4.46Å; V634-F638 HydrophobicContact CG1-CD2 3.99Å; V634-F638 HydrophobicContact CG1-CE2 3.56Å; Y636-F638 HydrophobicContact CD1-CD2 4.39Å; Y636-F638 PolarHBondContact O-N 2.84Å; Y636-F638 VanDerWaalsContact O-N 3.11Å; F638-V642 HydrophobicContact CD1-CG1 3.93Å; F638-L646 HydrophobicContact CD1-CD1 4.25Å; F638-L646 HydrophobicContact CE1-CD1 4.32Å
639	P	89.8	Confident	89.8	Confident	48 Å²	48	64 Å²	64	31%	0.312	35%	0.346	S	S	.	.			trans	-57.9	139.6	172.3	-23	33.4	0	0	0	111	P580 H641 V642 T643	P580-P639 HydrophobicContact CB-CG 4.48Å; P639-H641 WeakPolarHBondContact CB-CE1 3.37Å; P639-H641 WeakPolarHBondContact CB-ND1 2.96Å; P639-H641 PolarHBondContact O-N 3.34Å; P639-V642 HydrophobicContact CB-CB 4.39Å; P639-V642 HydrophobicContact CB-CG2 4Å; P639-V642 HydrophobicContact CG-CG2 4.08Å; P639-V642 WeakPolarHBondContact O-CB 3.31Å; P639-V642 PolarHBondContact O-N 3.05Å; P639-T643 PolarHBondContact O-N 3.31Å; P639-T643 VanDerWaalsContact O-N 3.11Å; P639-T643 PolarHBondContact O-OG1 2.7Å
640	T	88.1	Confident	89.6	Confident	113 Å²	113	62 Å²	62	69%	0.693	33%	0.334	S	S	*	.	H	α-helix	trans	-58.1	-36.2	-174.7	47.8	0	0	0	0	113.2	V642 S644	T640-V642 VanDerWaalsContact C-N 3.34Å; T640-S644 WeakPolarHBondContact O-CB 3.39Å; T640-S644 PolarHBondContact O-N 3.46Å; T640-S644 PolarHBondContact O-OG 2.94Å
641	H	88.1	Confident	89.2	Confident	114 Å²	114	65.3 Å²	65.3	53%	0.528	36%	0.363	S	S	.	.	H	α-helix	trans	-68.5	-31.8	176.9	74.5	-87.4	0	0	0	112.7	P639 S644 R645	P639-H641 WeakPolarHBondContact CB-CE1 3.37Å; P639-H641 WeakPolarHBondContact CB-ND1 2.96Å; P639-H641 PolarHBondContact O-N 3.34Å; H641-S644 PolarHBondContact O-OG 2.91Å; H641-S644 VanDerWaalsContact O-OG 3.05Å; H641-R645 VanDerWaalsContact O-CB 3.32Å; H641-R645 WeakPolarHBondContact O-CB 3.44Å; H641-R645 PolarHBondContact O-N 3.44Å
642	V	89.6	Confident	88.7	Confident	0 Å²	0	68 Å²	68	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-69.6	-51.7	174.7	174.6	0	0	0	0	109.2	P580 L584 F638 P639 T640 S644 R645 L646	P580-V642 HydrophobicContact CB-CG1 4.24Å; P580-V642 HydrophobicContact CB-CG2 4.48Å; P580-V642 WeakPolarHBondContact O-CG1 3.48Å; L584-V642 HydrophobicContact CB-CG1 4.2Å; F638-V642 HydrophobicContact CD1-CG1 3.93Å; P639-V642 HydrophobicContact CB-CB 4.39Å; P639-V642 HydrophobicContact CB-CG2 4Å; P639-V642 HydrophobicContact CG-CG2 4.08Å; P639-V642 WeakPolarHBondContact O-CB 3.31Å; P639-V642 PolarHBondContact O-N 3.05Å; T640-V642 VanDerWaalsContact C-N 3.34Å; V642-S644 VanDerWaalsContact C-N 3.34Å; V642-S644 PolarHBondContact O-N 3.15Å; V642-R645 PolarHBondContact O-N 3.2Å; V642-R645 VanDerWaalsContact O-N 3.15Å; V642-L646 HydrophobicContact CG1-CD1 3.95Å; V642-L646 HydrophobicContact CG1-CG 4.23Å; V642-L646 WeakPolarHBondContact O-CG 3.47Å; V642-L646 PolarHBondContact O-N 3.29Å
643	T	89.4	Confident	88.1	Confident	46 Å²	46	64.7 Å²	64.7	28%	0.282	35%	0.352	S	S	.	.	H	α-helix	trans	-59.6	-42.9	-179.2	-45.5	0	0	0	0	112.1	P639 R645 L646 L647	P639-T643 PolarHBondContact O-N 3.31Å; P639-T643 VanDerWaalsContact O-N 3.11Å; P639-T643 PolarHBondContact O-OG1 2.7Å; T643-R645 VanDerWaalsContact C-N 3.33Å; T643-R645 PolarHBondContact O-N 3.39Å; T643-L646 PolarHBondContact O-N 3.04Å; T643-L647 WeakPolarHBondContact O-CG 3.47Å; T643-L647 PolarHBondContact O-N 3.21Å; T643-L647 VanDerWaalsContact O-N 3.1Å
644	S	90	Very high	86.9	Confident	70 Å²	70	64.9 Å²	64.9	49%	0.49	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-39.2	177.9	65.9	0	0	0	0	111.9	T640 H641 V642 L647 Q648	T640-S644 WeakPolarHBondContact O-CB 3.39Å; T640-S644 PolarHBondContact O-N 3.46Å; T640-S644 PolarHBondContact O-OG 2.94Å; H641-S644 PolarHBondContact O-OG 2.91Å; H641-S644 VanDerWaalsContact O-OG 3.05Å; V642-S644 VanDerWaalsContact C-N 3.34Å; V642-S644 PolarHBondContact O-N 3.15Å; S644-L647 PolarHBondContact O-N 2.99Å; S644-Q648 WeakPolarHBondContact O-CB 3.45Å; S644-Q648 PolarHBondContact O-N 3.36Å
645	R	91.8	Very high	85.3	Confident	105 Å²	105	67.5 Å²	67.5	40%	0.396	38%	0.38	S	S	.	.	H	α-helix	trans	-71.5	-37.8	178.3	-168.2	63.7	179.1	172.6	1.2	112.6	L584 H641 V642 T643 Q648 L649	L584-R645 HydrophobicContact CD1-CB 3.84Å; L584-R645 HydrophobicContact CD1-CG 3.54Å; L584-R645 HydrophobicContact CD2-CG 4.42Å; H641-R645 VanDerWaalsContact O-CB 3.32Å; H641-R645 WeakPolarHBondContact O-CB 3.44Å; H641-R645 PolarHBondContact O-N 3.44Å; V642-R645 PolarHBondContact O-N 3.2Å; V642-R645 VanDerWaalsContact O-N 3.15Å; T643-R645 VanDerWaalsContact C-N 3.33Å; T643-R645 PolarHBondContact O-N 3.39Å; R645-Q648 PolarHBondContact O-N 3.38Å; R645-L649 HydrophobicContact CG-CD1 4.41Å; R645-L649 WeakPolarHBondContact O-CB 3.47Å; R645-L649 WeakPolarHBondContact O-CG 3.44Å; R645-L649 PolarHBondContact O-N 2.95Å
646	L	92.4	Very high	85.3	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-58.3	-47.3	172	-69.8	173.7	0	0	0	110.8	L584 M587 I627 F638 V642 T643 Q648 L649 Q650	L584-L646 HydrophobicContact CB-CD2 4.3Å; L584-L646 HydrophobicContact CD1-CD2 4.09Å; L584-L646 HydrophobicContact CD1-CG 4.41Å; M587-L646 HydrophobicContact CB-CD2 3.98Å; M587-L646 WeakPolarHBondContact CE-O 3.35Å; M587-L646 HydrophobicContact CG-CD2 4.29Å; M587-L646 HydrophobicContact SD-CB 4.22Å; M587-L646 HydrophobicContact SD-CD2 3.51Å; M587-L646 VanDerWaalsContact SD-CD2 3.51Å; M587-L646 HydrophobicContact SD-CG 4.47Å; I627-L646 HydrophobicContact CG2-CD2 4.04Å; F638-L646 HydrophobicContact CD1-CD1 4.25Å; F638-L646 HydrophobicContact CE1-CD1 4.32Å; V642-L646 HydrophobicContact CG1-CD1 3.95Å; V642-L646 HydrophobicContact CG1-CG 4.23Å; V642-L646 WeakPolarHBondContact O-CG 3.47Å; V642-L646 PolarHBondContact O-N 3.29Å; T643-L646 PolarHBondContact O-N 3.04Å; L646-Q648 VanDerWaalsContact C-N 3.34Å; L646-Q648 PolarHBondContact O-N 3.23Å; L646-L649 PolarHBondContact O-N 3.48Å; L646-Q650 PolarHBondContact O-N 3.17Å
647	L	90.3	Very high	85.3	Confident	92 Å²	92	65.1 Å²	65.1	48%	0.482	37%	0.37	S	S	.	.	H	α-helix	trans	-63.7	-38.9	177	-68.5	172.7	0	0	0	112.5	V628 T643 S644 Q650 A651	V628-L647 HydrophobicContact CG1-CD2 3.94Å; T643-L647 WeakPolarHBondContact O-CG 3.47Å; T643-L647 PolarHBondContact O-N 3.21Å; T643-L647 VanDerWaalsContact O-N 3.1Å; S644-L647 PolarHBondContact O-N 2.99Å; L647-Q650 PolarHBondContact O-N 3.14Å; L647-A651 WeakPolarHBondContact O-CB 3.31Å; L647-A651 PolarHBondContact O-N 3.26Å
648	Q	90.9	Very high	85.2	Confident	111 Å²	111	58.3 Å²	58.3	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-64	-41.7	175.8	-172.4	179.6	12	0	0	112.3	S644 R645 L646 Q650 A651 S652	S644-Q648 WeakPolarHBondContact O-CB 3.45Å; S644-Q648 PolarHBondContact O-N 3.36Å; R645-Q648 PolarHBondContact O-N 3.38Å; L646-Q648 VanDerWaalsContact C-N 3.34Å; L646-Q648 PolarHBondContact O-N 3.23Å; Q648-Q650 VanDerWaalsContact C-N 3.3Å; Q648-A651 PolarHBondContact O-N 3.23Å; Q648-S652 PolarHBondContact O-N 2.9Å; Q648-S652 VanDerWaalsContact O-N 3.16Å
649	L	90	Very high	85	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.063	36%	0.363	C	S	.	.	H	α-helix	trans	-67.7	-28.9	175.7	-76.1	172.8	0	0	0	112.3	L584 M587 K588 V591 R645 L646 S652	L584-L649 HydrophobicContact CD1-CD1 3.72Å; M587-L649 HydrophobicContact CE-CB 3.71Å; M587-L649 HydrophobicContact CG-CB 4.31Å; M587-L649 HydrophobicContact CG-CD1 4.33Å; M587-L649 HydrophobicContact SD-CB 4.46Å; K588-L649 HydrophobicContact CB-CD1 3.97Å; V591-L649 HydrophobicContact CG1-CD2 4.35Å; V591-L649 HydrophobicContact CG2-CB 4.33Å; R645-L649 HydrophobicContact CG-CD1 4.41Å; R645-L649 WeakPolarHBondContact O-CB 3.47Å; R645-L649 WeakPolarHBondContact O-CG 3.44Å; R645-L649 PolarHBondContact O-N 2.95Å; L646-L649 PolarHBondContact O-N 3.48Å; L649-S652 PolarHBondContact O-OG 3.44Å
650	Q	87.4	Confident	84.7	Confident	36 Å²	36	62.1 Å²	62.1	17%	0.168	37%	0.366	C	S	.	.	H	α-helix	trans	-71.3	-47	173.2	-166	-170.6	-17	0	0	110.5	M587 V628 L646 L647 Q648 S652 L653 I655	M587-Q650 HydrophobicContact CE-CB 3.72Å; M587-Q650 VanDerWaalsContact CE-N 3.26Å; V628-Q650 HydrophobicContact CG2-CB 4.33Å; V628-Q650 HydrophobicContact CG2-CG 4.46Å; L646-Q650 PolarHBondContact O-N 3.17Å; L647-Q650 PolarHBondContact O-N 3.14Å; Q648-Q650 VanDerWaalsContact C-N 3.3Å; Q650-S652 PolarHBondContact O-N 3.39Å; Q650-L653 PolarHBondContact O-N 3.46Å; Q650-L653 VanDerWaalsContact O-N 3.1Å; Q650-I655 WeakPolarHBondContact CG-O 3.17Å; Q650-I655 PolarHBondContact NE2-O 2.65Å
651	A	85.8	Confident	84.4	Confident	73 Å²	73	58.7 Å²	58.7	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-61.1	-30.8	-178.8	0	0	0	0	0	112.8	L647 Q648 L653 G654	L647-A651 WeakPolarHBondContact O-CB 3.31Å; L647-A651 PolarHBondContact O-N 3.26Å; Q648-A651 PolarHBondContact O-N 3.23Å; A651-L653 PolarHBondContact O-N 2.96Å; A651-G654 PolarHBondContact O-N 3.16Å
652	S	83.1	Confident	84.2	Confident	69 Å²	69	54.7 Å²	54.7	48%	0.483	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.5	177.7	66.1	0	0	0	0	114	Q648 L649 Q650	Q648-S652 PolarHBondContact O-N 2.9Å; Q648-S652 VanDerWaalsContact O-N 3.16Å; L649-S652 PolarHBondContact O-OG 3.44Å; Q650-S652 PolarHBondContact O-N 3.39Å
653	L	76.1	Confident	83.8	Confident	13 Å²	13	58.9 Å²	58.9	7%	0.068	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.9	173.3	-62.5	175.8	0	0	0	112.9	V591 C594 I595 F614 I624 Q650 A651 I655	V591-L653 HydrophobicContact CG1-CD2 4.13Å; V591-L653 HydrophobicContact CG1-CG 4.23Å; V591-L653 HydrophobicContact CG2-CD1 3.8Å; V591-L653 HydrophobicContact CG2-CG 4.28Å; C594-L653 HydrophobicContact CB-CD2 4.2Å; I595-L653 HydrophobicContact CG1-CD2 4.07Å; F614-L653 HydrophobicContact CD1-CB 4.3Å; F614-L653 HydrophobicContact CD1-CD2 3.67Å; F614-L653 HydrophobicContact CE1-CD2 3.4Å; F614-L653 VanDerWaalsContact CE1-CD2 3.4Å; I624-L653 HydrophobicContact CD1-CD1 3.57Å; I624-L653 HydrophobicContact CG2-CD1 4.4Å; Q650-L653 PolarHBondContact O-N 3.46Å; Q650-L653 VanDerWaalsContact O-N 3.1Å; A651-L653 PolarHBondContact O-N 2.96Å; L653-I655 HydrophobicContact CB-CB 4.39Å; L653-I655 HydrophobicContact CB-CD1 3.83Å; L653-I655 HydrophobicContact CB-CG1 3.96Å; L653-I655 HydrophobicContact CD1-CD1 4.43Å; L653-I655 WeakPolarHBondContact O-CG1 3.36Å
654	G	65.1	Low	83.3	Confident	72 Å²	72	60 Å²	60	74%	0.742	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	32.1	-175.2	0	0	0	0	0	113.8	A651	A651-G654 PolarHBondContact O-N 3.16Å
655	I	57	Low	82.7	Confident	67 Å²	67	59.1 Å²	59.1	34%	0.344	35%	0.352	S	S	.	.			trans	-121.6	0	-169.6	-62.1	179.2	0	0	0	113	F614 V621 K625 Q650 L653	F614-I655 HydrophobicContact CB-CD1 4.13Å; F614-I655 WeakPolarHBondContact O-CD1 3.47Å; V621-I655 HydrophobicContact CB-CD1 4.39Å; V621-I655 HydrophobicContact CG1-CD1 3.51Å; V621-I655 HydrophobicContact CG1-CG2 4.35Å; V621-I655 HydrophobicContact CG2-CD1 3.98Å; K625-I655 HydrophobicContact CD-CG2 4.24Å; K625-I655 HydrophobicContact CG-CG2 4.22Å; Q650-I655 WeakPolarHBondContact CG-O 3.17Å; Q650-I655 PolarHBondContact NE2-O 2.65Å; L653-I655 HydrophobicContact CB-CB 4.39Å; L653-I655 HydrophobicContact CB-CD1 3.83Å; L653-I655 HydrophobicContact CB-CG1 3.96Å; L653-I655 HydrophobicContact CD1-CD1 4.43Å; L653-I655 WeakPolarHBondContact O-CG1 3.36Å

Retrieved 655 of 655 residues in 572.4 ms (Link to these results)

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