A0A087YDQ4_POEFO Loading...

KIF-binding protein

Activator of KIF1B plus-end-directed microtubule motor activity. Required for organization of axonal microtubules, and axonal outgrowth and maintenance during peripheral and central nervous system development.

AlphaFold DB , UniProt , Accession A0A087YDQ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 660 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	22.3	Very low	24.9	Very low	252 Å²	252	162.2 Å²	162.2	100%	1.241	85%	0.854	S	S	*	*				0	131.2	0	-106.9	176.2	168	0	0	108.2
2	A	27.5	Very low	25.1	Very low	89 Å²	89	158.1 Å²	158.1	74%	0.736	84%	0.844	S	S	*	*			trans	-60	153.4	-170.1	0	0	0	0	0	115.2
3	V	22.5	Very low	25.2	Very low	140 Å²	140	154.3 Å²	154.3	85%	0.848	84%	0.838	S	S	*	*			trans	-142.7	106	133.1	-177	0	0	0	0	109.7
4	K	26.7	Very low	25.6	Very low	192 Å²	192	151.2 Å²	151.2	84%	0.835	83%	0.832	S	S	*	*			trans	-66.2	134.7	159.5	-77.2	173.8	172.7	176.4	0	108.5
5	C	23.7	Very low	26	Very low	120 Å²	120	148.7 Å²	148.7	81%	0.811	83%	0.829	S	S	*	*			trans	-119.1	94.6	164.5	-129.1	0	0	0	0	109.9
6	Q	24.4	Very low	26.5	Very low	180 Å²	180	152.3 Å²	152.3	84%	0.841	83%	0.826	S	S	*	*			trans	-74.2	127.1	157.7	-88.6	166.1	-58.7	0	0	108.4
7	R	27.1	Very low	26.6	Very low	223 Å²	223	152.2 Å²	152.2	84%	0.842	82%	0.821	S	S	*	*			trans	-140	105.1	158.4	-91.3	-172.5	174.5	177.8	-1.7	111.9
8	S	22.8	Very low	26.7	Very low	103 Å²	103	150.7 Å²	150.7	72%	0.72	82%	0.818	S	S	*	*			trans	34.2	105.8	132.5	18.2	0	0	0	0	119	L10	S8-L10 PolarHBondContact O-N 2.97Å
9	I	24.4	Very low	27	Very low	164 Å²	164	150.5 Å²	150.5	84%	0.841	81%	0.811	S	S	*	*			trans	-74.2	113.1	161.8	-62.7	167.1	0	0	0	108.3
10	L	24.5	Very low	27.2	Very low	159 Å²	159	150.4 Å²	150.4	83%	0.832	80%	0.803	S	S	*	*			trans	-109.2	114.7	162.6	-91.4	158.6	0	0	0	107.4	S8 P12	S8-L10 PolarHBondContact O-N 2.97Å; L10-P12 WeakPolarHBondContact O-CD 3.41Å
11	L	28.3	Very low	27.3	Very low	162 Å²	162	150.9 Å²	150.9	85%	0.848	80%	0.798	S	S	*	*			trans	-71.3	134.8	170.3	-77.8	157.6	0	0	0	110.2
12	P	27.3	Very low	27.7	Very low	113 Å²	113	143.9 Å²	143.9	73%	0.734	77%	0.77	S	S	*	*			trans	-109.5	118.3	153.6	4.1	17.4	0	0	0	111.3	L10	L10-P12 WeakPolarHBondContact O-CD 3.41Å
13	S	26.4	Very low	28.3	Very low	109 Å²	109	144.1 Å²	144.1	76%	0.762	76%	0.759	S	S	*	*			trans	31.2	115.1	137.9	55.5	0	0	0	0	119.7	S15	S13-S15 PolarHBondContact O-N 3.36Å
14	C	31	Very low	28.8	Very low	111 Å²	111	142.6 Å²	142.6	75%	0.75	74%	0.743	S	S	*	*			trans	-53.3	108.1	167.3	-164.6	0	0	0	0	112.8
15	S	31.2	Very low	29.2	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	73%	0.731	S	S	*	*			trans	-167.4	63.6	162.3	-69.8	0	0	0	0	110.9	S13	S13-S15 PolarHBondContact O-N 3.36Å
16	R	34.7	Very low	30.5	Very low	206 Å²	206	133.2 Å²	133.2	78%	0.777	71%	0.707	S	S	*	*			trans	-161.3	43.7	174.4	-115.2	-178.3	-163.5	-163.2	4.5	113.4
17	M	27.3	Very low	31.8	Very low	151 Å²	151	127.7 Å²	127.7	74%	0.744	68%	0.683	S	S	*	*	S	Bend	trans	-100.9	-2.9	-177	-87.7	-171.3	-179.2	0	0	115.3
18	T	28.6	Very low	33	Very low	125 Å²	125	121.7 Å²	121.7	77%	0.767	67%	0.668	S	S	*	*	S	Bend	trans	-99.7	-33.1	-176	41	0	0	0	0	114.2
19	E	32.2	Very low	35.2	Very low	147 Å²	147	118.1 Å²	118.1	69%	0.687	64%	0.643	S	S	*	*	H	α-helix	trans	-82.5	-23.9	178	-77.2	173.6	159.3	0	0	114.5	K21 T22	E19-K21 VanDerWaalsContact C-N 3.28Å; E19-K21 PolarHBondContact O-N 3.11Å; E19-T22 PolarHBondContact O-OG1 3.06Å
20	K	32.2	Very low	37.8	Very low	147 Å²	147	116 Å²	116	64%	0.639	64%	0.637	S	S	*	*	H	α-helix	trans	-70.1	-22.4	176.9	-88.5	-173.2	173.1	-173.6	0	113.6	M24	K20-M24 WeakPolarHBondContact O-CG 3.27Å; K20-M24 PolarHBondContact O-N 2.76Å
21	K	27.7	Very low	40.4	Very low	161 Å²	161	114.6 Å²	114.6	70%	0.7	63%	0.627	S	S	*	*	H	α-helix	trans	-81.4	-29.5	-176.2	-82.1	-175.4	174.1	-178.8	0	113.6	E19	E19-K21 VanDerWaalsContact C-N 3.28Å; E19-K21 PolarHBondContact O-N 3.11Å
22	T	30.7	Very low	43.1	Very low	106 Å²	106	107.5 Å²	107.5	65%	0.65	59%	0.588	S	S	*	*	H	α-helix	trans	-76.1	-39.4	176.7	32.6	0	0	0	0	111.6	E19 M24 A25	E19-T22 PolarHBondContact O-OG1 3.06Å; T22-M24 VanDerWaalsContact C-N 3.33Å; T22-M24 PolarHBondContact O-N 3.08Å; T22-A25 PolarHBondContact O-N 3Å
23	N	41.3	Very low	45.9	Very low	94 Å²	94	108 Å²	108	50%	0.503	58%	0.576	S	S	.	*	H	α-helix	trans	-68	-30.3	177.2	-136.6	1.8	0	0	0	113.1	A25	N23-A25 VanDerWaalsContact C-N 3.34Å; N23-A25 PolarHBondContact O-N 3.13Å
24	M	32.5	Very low	48.9	Very low	107 Å²	107	105.4 Å²	105.4	53%	0.527	56%	0.557	S	S	.	*	H	α-helix	trans	-70.3	-22.8	176.4	-83.5	177.8	-162.5	0	0	114.7	K20 T22 N28	K20-M24 WeakPolarHBondContact O-CG 3.27Å; K20-M24 PolarHBondContact O-N 2.76Å; T22-M24 VanDerWaalsContact C-N 3.33Å; T22-M24 PolarHBondContact O-N 3.08Å; M24-N28 PolarHBondContact O-ND2 3.21Å
25	A	35.1	Very low	51.8	Low	71 Å²	71	100.3 Å²	100.3	59%	0.587	52%	0.523	S	S	*	.	H	α-helix	trans	-78.5	-29.4	-178.3	0	0	0	0	0	112.4	T22 N23	T22-A25 PolarHBondContact O-N 3Å; N23-A25 VanDerWaalsContact C-N 3.34Å; N23-A25 PolarHBondContact O-N 3.13Å
26	S	51.5	Low	54.6	Low	44 Å²	44	95.1 Å²	95.1	31%	0.308	49%	0.486	S	S	.	.	H	α-helix	trans	-76.3	-40.3	-177.9	-179.7	0	0	0	0	113.2	N28 S29	S26-N28 PolarHBondContact O-N 3Å; S26-S29 WeakPolarHBondContact O-CB 3.2Å; S26-S29 PolarHBondContact O-N 3.27Å; S26-S29 PolarHBondContact O-OG 3.49Å
27	I	51.3	Low	57.4	Low	65 Å²	65	90.5 Å²	90.5	33%	0.333	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.4	179.8	-62.5	170.5	0	0	0	112.6
28	N	51.1	Low	60.6	Low	96 Å²	96	85.7 Å²	85.7	51%	0.513	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	7.9	176.8	-82.4	-55.7	0	0	0	114.1	M24 S26	M24-N28 PolarHBondContact O-ND2 3.21Å; S26-N28 PolarHBondContact O-N 3Å
29	S	69.8	Low	63.8	Low	28 Å²	28	80 Å²	80	20%	0.196	42%	0.417	C	S	.	.	S	Bend	trans	-68.1	147.7	176.6	66.7	0	0	0	0	111.6	S26 E31 W32 R33 F79	S26-S29 WeakPolarHBondContact O-CB 3.2Å; S26-S29 PolarHBondContact O-N 3.27Å; S26-S29 PolarHBondContact O-OG 3.49Å; S29-E31 PolarHBondContact O-N 2.98Å; S29-W32 PolarHBondContact O-N 3.2Å; S29-W32 WeakPolarHBondContact OG-CB 3.33Å; S29-W32 PolarHBondContact OG-N 2.81Å; S29-W32 VanDerWaalsContact OG-N 3.14Å; S29-R33 PolarHBondContact O-N 3.08Å; S29-F79 WeakPolarHBondContact OG-CZ 3.31Å
30	V	78.1	Confident	66.7	Low	120 Å²	120	76.9 Å²	76.9	73%	0.727	41%	0.408	S	S	*	.	H	α-helix	trans	-58.1	-33.4	174.7	177.1	0	0	0	0	110.9	S34	V30-S34 PolarHBondContact O-N 3.07Å; V30-S34 VanDerWaalsContact O-N 3.08Å
31	E	80.8	Confident	69.7	Low	130 Å²	130	72.3 Å²	72.3	61%	0.607	39%	0.391	S	S	*	.	H	α-helix	trans	-68.1	-42.2	178.3	-70.7	174.8	-172.4	0	0	112.4	S29 S34 I35 F79	S29-E31 PolarHBondContact O-N 2.98Å; E31-S34 WeakPolarHBondContact O-CB 3.41Å; E31-S34 PolarHBondContact O-N 3.36Å; E31-I35 PolarHBondContact O-N 3.37Å; E31-F79 HydrophobicContact CB-CD2 4.22Å; E31-F79 HydrophobicContact CB-CE2 3.62Å; E31-F79 HydrophobicContact CG-CE2 4.5Å; E31-F79 WeakPolarHBondContact OE2-CD2 3.49Å; E31-F79 WeakPolarHBondContact OE2-CE2 3.13Å
32	W	84.2	Confident	72.9	Confident	13 Å²	13	64.7 Å²	64.7	5%	0.049	36%	0.357	C	S	.	.	H	α-helix	trans	-64	-41.7	175	-176.4	-109.6	0	0	0	112.3	S29 S34 I35 C36 L76 K126 Y219 F220	S29-W32 PolarHBondContact O-N 3.2Å; S29-W32 WeakPolarHBondContact OG-CB 3.33Å; S29-W32 PolarHBondContact OG-N 2.81Å; S29-W32 VanDerWaalsContact OG-N 3.14Å; W32-S34 VanDerWaalsContact C-N 3.27Å; W32-S34 PolarHBondContact O-N 3.22Å; W32-I35 HydrophobicContact CE3-CB 4.38Å; W32-I35 HydrophobicContact CE3-CD1 4.01Å; W32-I35 HydrophobicContact CE3-CG2 4.4Å; W32-I35 HydrophobicContact CZ3-CD1 4.24Å; W32-I35 HydrophobicContact CZ3-CG2 4.09Å; W32-I35 WeakPolarHBondContact O-CB 3.42Å; W32-I35 PolarHBondContact O-N 3.1Å; W32-I35 VanDerWaalsContact O-N 3.1Å; W32-C36 PolarHBondContact NE1-SG 3.46Å; W32-C36 PolarHBondContact O-N 3.15Å; W32-C36 PolarHBondContact O-SG 3.11Å; W32-C36 VanDerWaalsContact O-SG 3.35Å; W32-L76 HydrophobicContact CZ3-CD2 3.88Å; W32-K126 HydrophobicContact CH2-CD 3.84Å; W32-K126 VanDerWaalsContact CH2-CE 3.47Å; W32-K126 HydrophobicContact CZ3-CD 4.29Å; W32-Y219 WeakPolarHBondContact CH2-O 3.03Å; W32-Y219 WeakPolarHBondContact CZ2-O 2.98Å; W32-F220 HydrophobicContact CH2-CD1 4.03Å; W32-F220 HydrophobicContact CH2-CE1 4.49Å
33	R	86.2	Confident	76	Confident	123 Å²	123	61 Å²	61	46%	0.464	33%	0.332	S	S	.	.	H	α-helix	trans	-59.6	-40.5	173.9	-70.6	-173.9	-174.8	142.9	4.2	111.7	S29 I35 C36 D37	S29-R33 PolarHBondContact O-N 3.08Å; R33-I35 VanDerWaalsContact C-N 3.31Å; R33-I35 PolarHBondContact O-N 3Å; R33-C36 PolarHBondContact O-N 3.31Å; R33-D37 VanDerWaalsContact O-CG 3.26Å; R33-D37 PolarHBondContact O-N 3.41Å
34	S	89.9	Confident	78.5	Confident	54 Å²	54	62.5 Å²	62.5	38%	0.378	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-39.2	174.9	-175	0	0	0	0	112.4	V30 E31 W32 D37 K38	V30-S34 PolarHBondContact O-N 3.07Å; V30-S34 VanDerWaalsContact O-N 3.08Å; E31-S34 WeakPolarHBondContact O-CB 3.41Å; E31-S34 PolarHBondContact O-N 3.36Å; W32-S34 VanDerWaalsContact C-N 3.27Å; W32-S34 PolarHBondContact O-N 3.22Å; S34-D37 PolarHBondContact O-N 2.8Å; S34-K38 VanDerWaalsContact O-CG 3.31Å; S34-K38 WeakPolarHBondContact O-CG 3.45Å; S34-K38 PolarHBondContact O-N 3.1Å
35	I	91.1	Very high	81.5	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-62.6	-48	174.4	-70.1	169.4	0	0	0	110.9	E31 W32 R33 D37 K38 F39 I72 L76 F220	E31-I35 PolarHBondContact O-N 3.37Å; W32-I35 HydrophobicContact CE3-CB 4.38Å; W32-I35 HydrophobicContact CE3-CD1 4.01Å; W32-I35 HydrophobicContact CE3-CG2 4.4Å; W32-I35 HydrophobicContact CZ3-CD1 4.24Å; W32-I35 HydrophobicContact CZ3-CG2 4.09Å; W32-I35 WeakPolarHBondContact O-CB 3.42Å; W32-I35 PolarHBondContact O-N 3.1Å; W32-I35 VanDerWaalsContact O-N 3.1Å; R33-I35 VanDerWaalsContact C-N 3.31Å; R33-I35 PolarHBondContact O-N 3Å; I35-D37 VanDerWaalsContact C-N 3.34Å; I35-D37 PolarHBondContact O-N 3.39Å; I35-K38 PolarHBondContact O-N 3.45Å; I35-F39 PolarHBondContact O-N 3.07Å; I35-I72 HydrophobicContact CG2-CG1 4.43Å; I35-I72 HydrophobicContact CG2-CG2 3.81Å; I35-L76 HydrophobicContact CD1-CD2 4.24Å; I35-F220 HydrophobicContact CG2-CD1 3.99Å
36	C	91.4	Very high	84.3	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.034	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-41.4	178.3	-61.7	0	0	0	0	112.3	W32 R33 F39 T40 F220	W32-C36 PolarHBondContact NE1-SG 3.46Å; W32-C36 PolarHBondContact O-N 3.15Å; W32-C36 PolarHBondContact O-SG 3.11Å; W32-C36 VanDerWaalsContact O-SG 3.35Å; R33-C36 PolarHBondContact O-N 3.31Å; C36-F39 PolarHBondContact O-N 2.62Å; C36-T40 WeakPolarHBondContact O-CB 3.46Å; C36-T40 PolarHBondContact O-N 3.16Å; C36-T40 PolarHBondContact O-OG1 2.92Å; C36-F220 WeakPolarHBondContact CA-O 3.43Å; C36-F220 WeakPolarHBondContact CB-O 3.25Å; C36-F220 PolarHBondContact SG-O 3.33Å; C36-F220 VanDerWaalsContact SG-O 3.42Å
37	D	91.9	Very high	86.2	Confident	110 Å²	110	59.4 Å²	59.4	59%	0.588	30%	0.301	S	S	*	.	H	α-helix	trans	-64.6	-43.6	177.7	-70.4	-20.4	0	0	0	111.4	R33 S34 I35 F39 T40 N41	R33-D37 VanDerWaalsContact O-CG 3.26Å; R33-D37 PolarHBondContact O-N 3.41Å; S34-D37 PolarHBondContact O-N 2.8Å; I35-D37 VanDerWaalsContact C-N 3.34Å; I35-D37 PolarHBondContact O-N 3.39Å; D37-F39 VanDerWaalsContact C-N 3.34Å; D37-F39 PolarHBondContact O-N 2.91Å; D37-T40 PolarHBondContact O-N 3.03Å; D37-N41 WeakPolarHBondContact O-CB 3.29Å; D37-N41 PolarHBondContact O-N 2.88Å
38	K	94.9	Very high	88.1	Confident	49 Å²	49	60.2 Å²	60.2	21%	0.213	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-43.2	174.8	-73.7	-178.7	-171.6	-165.9	0	111.4	S34 I35 N41 A42 L68 E71 I72	S34-K38 VanDerWaalsContact O-CG 3.31Å; S34-K38 WeakPolarHBondContact O-CG 3.45Å; S34-K38 PolarHBondContact O-N 3.1Å; I35-K38 PolarHBondContact O-N 3.45Å; K38-N41 PolarHBondContact O-N 2.83Å; K38-A42 WeakPolarHBondContact O-CB 3.42Å; K38-A42 PolarHBondContact O-N 3.2Å; K38-L68 HydrophobicContact CG-CD2 4.42Å; K38-E71 WeakPolarHBondContact CE-OE2 3.45Å; K38-E71 IonicContact NZ-OE2 3.04Å; K38-E71 PolarHBondContact NZ-OE2 3.48Å; K38-I72 HydrophobicContact CB-CD1 3.84Å; K38-I72 HydrophobicContact CB-CG1 3.84Å; K38-I72 HydrophobicContact CD-CG1 4.31Å
39	F	95	Very high	90.1	Very high	6 Å²	6	58.6 Å²	58.6	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-46.3	179.7	-178	-100.6	0	0	0	111.2	I35 C36 D37 N41 A42 Q43 L69 I72 Y133 T217 F220	I35-F39 PolarHBondContact O-N 3.07Å; C36-F39 PolarHBondContact O-N 2.62Å; D37-F39 VanDerWaalsContact C-N 3.34Å; D37-F39 PolarHBondContact O-N 2.91Å; F39-N41 VanDerWaalsContact C-N 3.27Å; F39-N41 PolarHBondContact O-N 3.19Å; F39-A42 WeakPolarHBondContact O-CB 3.23Å; F39-A42 PolarHBondContact O-N 3.03Å; F39-A42 VanDerWaalsContact O-N 3.1Å; F39-Q43 HydrophobicContact CD1-CG 4.15Å; F39-Q43 HydrophobicContact CE1-CG 3.73Å; F39-Q43 HydrophobicContact CE2-CG 4.46Å; F39-Q43 HydrophobicContact CZ-CG 3.91Å; F39-Q43 WeakPolarHBondContact O-CG 3.18Å; F39-Q43 PolarHBondContact O-N 3.38Å; F39-L69 HydrophobicContact CD2-CD2 4.22Å; F39-L69 HydrophobicContact CE2-CD2 4.39Å; F39-I72 HydrophobicContact CB-CD1 3.86Å; F39-I72 HydrophobicContact CD2-CD1 4.39Å; F39-Y133 AromaticContact CE2-CD2 3.62Å; F39-Y133 HydrophobicContact CE2-CD2 3.62Å; F39-Y133 AromaticContact CE2-CE2 3.56Å; F39-Y133 HydrophobicContact CE2-CE2 3.56Å; F39-Y133 HydrophobicContact CE2-CG 4.28Å; F39-Y133 HydrophobicContact CZ-CD2 4.02Å; F39-Y133 HydrophobicContact CZ-CE1 4.43Å; F39-Y133 AromaticContact CZ-CE2 3.45Å; F39-Y133 HydrophobicContact CZ-CE2 3.45Å; F39-Y133 VanDerWaalsContact CZ-CE2 3.45Å; F39-Y133 AromaticContact CZ-CZ 3.69Å; F39-T217 HydrophobicContact CE1-CG2 4.48Å; F39-F220 HydrophobicContact CB-CB 3.68Å; F39-F220 HydrophobicContact CB-CG 4.2Å; F39-F220 HydrophobicContact CD1-CB 3.53Å; F39-F220 HydrophobicContact CD1-CD2 4.07Å; F39-F220 HydrophobicContact CD1-CG 4.19Å; F39-F220 HydrophobicContact CD2-CB 4.14Å; F39-F220 AromaticContact CD2-CD2 3.53Å; F39-F220 HydrophobicContact CD2-CD2 3.53Å; F39-F220 HydrophobicContact CD2-CE2 4.21Å; F39-F220 AromaticContact CD2-CG 3.96Å; F39-F220 HydrophobicContact CD2-CG 3.96Å; F39-F220 HydrophobicContact CE1-CB 4.16Å; F39-F220 HydrophobicContact CE1-CD2 4.06Å; F39-F220 AromaticContact CE2-CD2 3.53Å; F39-F220 HydrophobicContact CE2-CD2 3.53Å; F39-F220 HydrophobicContact CE2-CE2 4.04Å; F39-F220 HydrophobicContact CE2-CG 4.39Å; F39-F220 HydrophobicContact CG-CB 3.5Å; F39-F220 VanDerWaalsContact CG-CB 3.5Å; F39-F220 AromaticContact CG-CD2 3.8Å; F39-F220 HydrophobicContact CG-CD2 3.8Å; F39-F220 AromaticContact CG-CG 3.84Å; F39-F220 HydrophobicContact CG-CG 3.84Å; F39-F220 AromaticContact CZ-CD2 3.79Å; F39-F220 HydrophobicContact CZ-CD2 3.79Å
40	T	94	Very high	91.1	Very high	82 Å²	82	58.4 Å²	58.4	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-57.9	-41.7	175.9	-57.3	0	0	0	0	111.3	C36 D37 Q43 R44	C36-T40 WeakPolarHBondContact O-CB 3.46Å; C36-T40 PolarHBondContact O-N 3.16Å; C36-T40 PolarHBondContact O-OG1 2.92Å; D37-T40 PolarHBondContact O-N 3.03Å; T40-Q43 PolarHBondContact O-N 3.42Å; T40-R44 PolarHBondContact O-N 3.23Å
41	N	95.2	Very high	91.7	Very high	51 Å²	51	62.5 Å²	62.5	27%	0.273	30%	0.299	S	S	.	.	H	α-helix	trans	-66.3	-40.3	175.6	-168.2	38.6	0	0	0	112.3	D37 K38 F39 Q43 R44 L45 L68	D37-N41 WeakPolarHBondContact O-CB 3.29Å; D37-N41 PolarHBondContact O-N 2.88Å; K38-N41 PolarHBondContact O-N 2.83Å; F39-N41 VanDerWaalsContact C-N 3.27Å; F39-N41 PolarHBondContact O-N 3.19Å; N41-Q43 VanDerWaalsContact C-N 3.35Å; N41-Q43 PolarHBondContact O-N 3.1Å; N41-R44 PolarHBondContact O-N 2.5Å; N41-R44 VanDerWaalsContact OD1-CZ 3.26Å; N41-R44 PolarHBondContact OD1-NH2 3.21Å; N41-L45 WeakPolarHBondContact O-CB 3.39Å; N41-L45 WeakPolarHBondContact O-CG 3.47Å; N41-L45 PolarHBondContact O-N 3.26Å; N41-L68 HydrophobicContact CB-CD1 4.08Å; N41-L68 WeakPolarHBondContact ND2-CD1 3.46Å
42	A	95.9	Very high	92.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-40.1	175.4	0	0	0	0	0	112.2	K38 F39 T46 A65 L68 L69	K38-A42 WeakPolarHBondContact O-CB 3.42Å; K38-A42 PolarHBondContact O-N 3.2Å; F39-A42 WeakPolarHBondContact O-CB 3.23Å; F39-A42 PolarHBondContact O-N 3.03Å; F39-A42 VanDerWaalsContact O-N 3.1Å; A42-T46 WeakPolarHBondContact O-CB 3.42Å; A42-T46 PolarHBondContact O-N 2.95Å; A42-T46 PolarHBondContact O-OG1 2.87Å; A42-A65 HydrophobicContact CB-CB 4.21Å; A42-A65 WeakPolarHBondContact O-CB 3.38Å; A42-L68 HydrophobicContact CB-CB 4.11Å; A42-L68 HydrophobicContact CB-CD1 4.22Å; A42-L69 HydrophobicContact CB-CD2 4.34Å; A42-L69 HydrophobicContact CB-CG 4.24Å
43	Q	94.2	Very high	92.6	Very high	28 Å²	28	63.2 Å²	63.2	13%	0.131	31%	0.308	C	S	.	.	H	α-helix	trans	-64.6	-46.4	173.9	-66.6	-59.6	-34.1	0	0	111.4	F39 T40 N41 L45 T46 E47	F39-Q43 HydrophobicContact CD1-CG 4.15Å; F39-Q43 HydrophobicContact CE1-CG 3.73Å; F39-Q43 HydrophobicContact CE2-CG 4.46Å; F39-Q43 HydrophobicContact CZ-CG 3.91Å; F39-Q43 WeakPolarHBondContact O-CG 3.18Å; F39-Q43 PolarHBondContact O-N 3.38Å; T40-Q43 PolarHBondContact O-N 3.42Å; N41-Q43 VanDerWaalsContact C-N 3.35Å; N41-Q43 PolarHBondContact O-N 3.1Å; Q43-L45 VanDerWaalsContact C-N 3.32Å; Q43-L45 PolarHBondContact O-N 3.39Å; Q43-T46 PolarHBondContact O-N 3.41Å; Q43-T46 VanDerWaalsContact O-N 3.1Å; Q43-E47 PolarHBondContact O-N 3.22Å
44	R	94.9	Very high	92.8	Very high	127 Å²	127	60.4 Å²	60.4	48%	0.479	31%	0.306	S	S	.	.	H	α-helix	trans	-58.2	-44.2	176.9	-167.7	-173.9	75.8	-136.9	-8.2	112.2	T40 N41 T46 T48 E49	T40-R44 PolarHBondContact O-N 3.23Å; N41-R44 PolarHBondContact O-N 2.5Å; N41-R44 VanDerWaalsContact OD1-CZ 3.26Å; N41-R44 PolarHBondContact OD1-NH2 3.21Å; R44-T46 VanDerWaalsContact C-N 3.32Å; R44-T46 PolarHBondContact O-N 3.17Å; R44-T48 WeakPolarHBondContact O-CA 3.13Å; R44-T48 WeakPolarHBondContact O-CB 3.25Å; R44-T48 PolarHBondContact O-N 2.88Å; R44-E49 IonicContact CZ-OE1 2.73Å; R44-E49 VanDerWaalsContact CZ-OE1 3.29Å; R44-E49 IonicContact NE-OE1 3.59Å; R44-E49 PolarHBondContact NE-OE1 3.32Å; R44-E49 IonicContact NH2-OE1 3.08Å; R44-E49 PolarHBondContact NH2-OE1 2.77Å; R44-E49 PolarHBondContact O-N 3.17Å; R44-E49 VanDerWaalsContact O-N 3.08Å
45	L	95.8	Very high	92.6	Very high	8 Å²	8	66.8 Å²	66.8	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-43.2	175.8	-78.7	163.7	0	0	0	111.7	N41 Q43 E49 S50 S61 K64 A65 L68	N41-L45 WeakPolarHBondContact O-CB 3.39Å; N41-L45 WeakPolarHBondContact O-CG 3.47Å; N41-L45 PolarHBondContact O-N 3.26Å; Q43-L45 VanDerWaalsContact C-N 3.32Å; Q43-L45 PolarHBondContact O-N 3.39Å; L45-E49 HydrophobicContact CD2-CB 4.37Å; L45-E49 HydrophobicContact CD2-CG 4.47Å; L45-E49 WeakPolarHBondContact CD2-OE2 3.11Å; L45-S50 PolarHBondContact O-N 3.11Å; L45-S50 VanDerWaalsContact O-N 3.08Å; L45-S61 WeakPolarHBondContact O-CB 3.34Å; L45-K64 HydrophobicContact CD1-CB 4.01Å; L45-K64 HydrophobicContact CD2-CB 4.39Å; L45-K64 HydrophobicContact CD2-CD 4.36Å; L45-A65 HydrophobicContact CB-CB 3.96Å; L45-A65 HydrophobicContact CD1-CB 4.46Å; L45-L68 HydrophobicContact CD1-CD1 3.71Å
46	T	92.9	Very high	92.6	Very high	31 Å²	31	74.6 Å²	74.6	19%	0.19	37%	0.372	C	S	.	.	H	α-helix	trans	-74.8	-44.1	-175.6	-55.8	0	0	0	0	112.7	A42 Q43 R44 S50 A65	A42-T46 WeakPolarHBondContact O-CB 3.42Å; A42-T46 PolarHBondContact O-N 2.95Å; A42-T46 PolarHBondContact O-OG1 2.87Å; Q43-T46 PolarHBondContact O-N 3.41Å; Q43-T46 VanDerWaalsContact O-N 3.1Å; R44-T46 VanDerWaalsContact C-N 3.32Å; R44-T46 PolarHBondContact O-N 3.17Å; T46-S50 WeakPolarHBondContact O-CB 3.43Å; T46-S50 PolarHBondContact O-OG 3.29Å; T46-A65 VanDerWaalsContact OG1-CB 3.3Å; T46-A65 WeakPolarHBondContact OG1-CB 3.3Å
47	E	91.3	Very high	92.5	Very high	117 Å²	117	77.4 Å²	77.4	55%	0.547	39%	0.386	S	S	.	.	H	α-helix	trans	-92.5	-30.7	-171.1	-63.2	-176.1	163.8	0	0	113.9	Q43 R51	Q43-E47 PolarHBondContact O-N 3.22Å; E47-R51 PolarHBondContact O-NE 3.41Å
48	T	92.4	Very high	92.3	Very high	82 Å²	82	75.4 Å²	75.4	50%	0.503	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-55.4	-171.4	-52	0	0	0	0	112.6	R44 R51	R44-T48 WeakPolarHBondContact O-CA 3.13Å; R44-T48 WeakPolarHBondContact O-CB 3.25Å; R44-T48 PolarHBondContact O-N 2.88Å; T48-R51 PolarHBondContact O-N 3.47Å
49	E	91.9	Very high	92.2	Very high	63 Å²	63	75.5 Å²	75.5	29%	0.294	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-70.4	-35.7	-173.8	-61.1	-174.1	-156.1	0	0	112.1	R44 L45 R51 N52	R44-E49 IonicContact CZ-OE1 2.73Å; R44-E49 VanDerWaalsContact CZ-OE1 3.29Å; R44-E49 IonicContact NE-OE1 3.59Å; R44-E49 PolarHBondContact NE-OE1 3.32Å; R44-E49 IonicContact NH2-OE1 3.08Å; R44-E49 PolarHBondContact NH2-OE1 2.77Å; R44-E49 PolarHBondContact O-N 3.17Å; R44-E49 VanDerWaalsContact O-N 3.08Å; L45-E49 HydrophobicContact CD2-CB 4.37Å; L45-E49 HydrophobicContact CD2-CG 4.47Å; L45-E49 WeakPolarHBondContact CD2-OE2 3.11Å; E49-R51 PolarHBondContact O-N 3.35Å; E49-R51 VanDerWaalsContact O-N 3.11Å; E49-N52 PolarHBondContact O-N 2.87Å
50	S	91.6	Very high	92.2	Very high	24 Å²	24	81 Å²	81	17%	0.168	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-55.4	-28.6	177.8	66	0	0	0	0	114.6	L45 T46 N52 D53	L45-S50 PolarHBondContact O-N 3.11Å; L45-S50 VanDerWaalsContact O-N 3.08Å; T46-S50 WeakPolarHBondContact O-CB 3.43Å; T46-S50 PolarHBondContact O-OG 3.29Å; S50-N52 PolarHBondContact O-N 3.14Å; S50-D53 WeakPolarHBondContact O-CB 3.49Å; S50-D53 PolarHBondContact O-N 3.23Å
51	R	90.3	Very high	92.3	Very high	205 Å²	205	77.4 Å²	77.4	77%	0.774	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-67.8	-16.2	177.7	-57.9	-176.2	-170.9	-163.9	-3.3	113.2	E47 T48 E49	E47-R51 PolarHBondContact O-NE 3.41Å; T48-R51 PolarHBondContact O-N 3.47Å; E49-R51 PolarHBondContact O-N 3.35Å; E49-R51 VanDerWaalsContact O-N 3.11Å
52	N	91.8	Very high	92.3	Very high	131 Å²	131	76.4 Å²	76.4	70%	0.701	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-114	13.7	-179.8	-53.3	-65.3	0	0	0	111.7	E49 S50	E49-N52 PolarHBondContact O-N 2.87Å; S50-N52 PolarHBondContact O-N 3.14Å
53	D	91.9	Very high	92.3	Very high	28 Å²	28	80.8 Å²	80.8	15%	0.15	39%	0.389	C	S	.	.			trans	-64	137.4	174.8	-80.2	-14.5	0	0	0	109.3	S50 R60 S61	S50-D53 WeakPolarHBondContact O-CB 3.49Å; S50-D53 PolarHBondContact O-N 3.23Å; D53-R60 PolarHBondContact OD2-N 3.11Å; D53-R60 VanDerWaalsContact OD2-N 3.14Å; D53-S61 WeakPolarHBondContact OD1-CB 3.47Å; D53-S61 PolarHBondContact OD1-N 3.25Å; D53-S61 PolarHBondContact OD1-OG 3.26Å; D53-S61 WeakPolarHBondContact OD2-CB 3.36Å; D53-S61 PolarHBondContact OD2-N 3.01Å
54	P	90.9	Very high	92.4	Very high	63 Å²	63	83.2 Å²	83.2	41%	0.409	40%	0.399	S	S	.	.			trans	-69	148.5	-177.1	28.2	-33.1	0	0	0	110.7	N56 D57	P54-N56 PolarHBondContact O-N 3.26Å; P54-D57 HydrophobicContact CG-CB 4.09Å; P54-D57 CarbonylContact O-C 3.52Å; P54-D57 WeakPolarHBondContact O-CA 3.46Å; P54-D57 PolarHBondContact O-N 3.02Å
55	E	85.9	Confident	92.5	Very high	189 Å²	189	77.1 Å²	77.1	88%	0.883	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.3	-179.1	-66.2	179.9	176.1	0	0	113.7	D57	E55-D57 VanDerWaalsContact C-N 3.26Å; E55-D57 PolarHBondContact O-N 3.45Å
56	N	90.3	Very high	92.5	Very high	168 Å²	168	77.6 Å²	77.6	90%	0.898	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.4	177.2	-67.8	-31.5	0	0	0	113.7	P54	P54-N56 PolarHBondContact O-N 3.26Å
57	D	89.3	Confident	92.7	Very high	64 Å²	64	82 Å²	82	34%	0.342	40%	0.396	S	S	.	.	S	Bend	trans	-150	68	178.5	-172.4	12.9	0	0	0	110.3	P54 E55 F59 R60	P54-D57 HydrophobicContact CG-CB 4.09Å; P54-D57 CarbonylContact O-C 3.52Å; P54-D57 WeakPolarHBondContact O-CA 3.46Å; P54-D57 PolarHBondContact O-N 3.02Å; E55-D57 VanDerWaalsContact C-N 3.26Å; E55-D57 PolarHBondContact O-N 3.45Å; D57-F59 PolarHBondContact O-N 3.34Å; D57-F59 VanDerWaalsContact O-N 3.15Å; D57-R60 HydrophobicContact CB-CB 4.48Å; D57-R60 PolarHBondContact O-N 3.12Å; D57-R60 VanDerWaalsContact OD2-CB 3.3Å; D57-R60 WeakPolarHBondContact OD2-CB 3.38Å; D57-R60 WeakPolarHBondContact OD2-CD 3.46Å; D57-R60 VanDerWaalsContact OD2-CG 3.25Å; D57-R60 WeakPolarHBondContact OD2-CG 3.35Å
58	P	87.4	Confident	93	Very high	68 Å²	68	77.8 Å²	77.8	44%	0.442	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-9.9	-163.3	27.8	-36	0	0	0	115.1
59	F	93.1	Very high	93.1	Very high	50 Å²	50	74 Å²	74	22%	0.219	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	13.5	-177.5	-56.7	-58.3	0	0	0	113.5	D57 S61 K62 Y63 D140 T141	D57-F59 PolarHBondContact O-N 3.34Å; D57-F59 VanDerWaalsContact O-N 3.15Å; F59-S61 VanDerWaalsContact C-N 3.27Å; F59-S61 PolarHBondContact O-N 3.29Å; F59-K62 HydrophobicContact CD1-CD 4.33Å; F59-K62 PolarHBondContact O-N 3.32Å; F59-Y63 HydrophobicContact CB-CD2 4.09Å; F59-Y63 HydrophobicContact CB-CE2 3.62Å; F59-Y63 VanDerWaalsContact O-CD2 3.25Å; F59-Y63 WeakPolarHBondContact O-CD2 3.42Å; F59-Y63 PolarHBondContact O-N 3.38Å; F59-D140 WeakPolarHBondContact CE1-O 3.5Å; F59-T141 HydrophobicContact CB-CG2 3.85Å; F59-T141 HydrophobicContact CD1-CG2 3.97Å; F59-T141 HydrophobicContact CD2-CG2 4.44Å; F59-T141 HydrophobicContact CG-CG2 3.84Å
60	R	95	Very high	93.3	Very high	122 Å²	122	76.8 Å²	76.8	46%	0.46	36%	0.361	S	S	.	.	H	α-helix	trans	-48.6	-47.4	-175.4	-171.3	-179.2	174.9	-157.7	-0.5	113.1	D53 D57 K64	D53-R60 PolarHBondContact OD2-N 3.11Å; D53-R60 VanDerWaalsContact OD2-N 3.14Å; D57-R60 HydrophobicContact CB-CB 4.48Å; D57-R60 PolarHBondContact O-N 3.12Å; D57-R60 VanDerWaalsContact OD2-CB 3.3Å; D57-R60 WeakPolarHBondContact OD2-CB 3.38Å; D57-R60 WeakPolarHBondContact OD2-CD 3.46Å; D57-R60 VanDerWaalsContact OD2-CG 3.25Å; D57-R60 WeakPolarHBondContact OD2-CG 3.35Å; R60-K64 PolarHBondContact O-N 3.12Å
61	S	96.3	Very high	93.5	Very high	6 Å²	6	79.9 Å²	79.9	4%	0.042	37%	0.373	C	S	.	.	H	α-helix	trans	-72.2	-36.3	-177.3	-63.5	0	0	0	0	111.4	L45 D53 F59 K64 A65	L45-S61 WeakPolarHBondContact O-CB 3.34Å; D53-S61 WeakPolarHBondContact OD1-CB 3.47Å; D53-S61 PolarHBondContact OD1-N 3.25Å; D53-S61 PolarHBondContact OD1-OG 3.26Å; D53-S61 WeakPolarHBondContact OD2-CB 3.36Å; D53-S61 PolarHBondContact OD2-N 3.01Å; F59-S61 VanDerWaalsContact C-N 3.27Å; F59-S61 PolarHBondContact O-N 3.29Å; S61-K64 PolarHBondContact O-N 3.32Å; S61-A65 PolarHBondContact O-N 2.93Å
62	K	95.1	Very high	93.6	Very high	31 Å²	31	70.1 Å²	70.1	14%	0.135	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-38.4	175	-64.5	-166	-174.5	-172.9	0	111.9	F59 A65 R66 N137 D140 T141	F59-K62 HydrophobicContact CD1-CD 4.33Å; F59-K62 PolarHBondContact O-N 3.32Å; K62-A65 WeakPolarHBondContact O-CB 3.37Å; K62-A65 PolarHBondContact O-N 2.85Å; K62-R66 PolarHBondContact O-N 3.45Å; K62-N137 PolarHBondContact O-ND2 3.46Å; K62-D140 HydrophobicContact CD-CB 4.11Å; K62-D140 VanDerWaalsContact NZ-CB 3.32Å; K62-D140 VanDerWaalsContact NZ-CG 3.35Å; K62-D140 PolarHBondContact NZ-O 3.46Å; K62-D140 IonicContact NZ-OD2 3.5Å; K62-D140 PolarHBondContact NZ-OD2 3.49Å; K62-T141 HydrophobicContact CB-CG2 3.97Å; K62-T141 HydrophobicContact CD-CG2 4.03Å
63	Y	96.6	Very high	93.7	Very high	91 Å²	91	65.7 Å²	65.7	36%	0.357	31%	0.31	S	S	.	.	H	α-helix	trans	-64.8	-41.1	174.7	-65.7	-49	0	0	0	112.6	F59 A65 R66 E67 T141	F59-Y63 HydrophobicContact CB-CD2 4.09Å; F59-Y63 HydrophobicContact CB-CE2 3.62Å; F59-Y63 VanDerWaalsContact O-CD2 3.25Å; F59-Y63 WeakPolarHBondContact O-CD2 3.42Å; F59-Y63 PolarHBondContact O-N 3.38Å; Y63-A65 VanDerWaalsContact C-N 3.35Å; Y63-A65 PolarHBondContact O-N 3.5Å; Y63-R66 VanDerWaalsContact O-CB 3.27Å; Y63-R66 WeakPolarHBondContact O-CB 3.46Å; Y63-R66 PolarHBondContact O-N 2.85Å; Y63-E67 PolarHBondContact O-N 2.97Å; Y63-T141 HydrophobicContact CE1-CG2 4.21Å
64	K	95.9	Very high	93.7	Very high	79 Å²	79	68.1 Å²	68.1	34%	0.343	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-40.4	173.7	-69.1	176.2	-176.3	172.2	0	112.4	L45 R60 S61 R66 E67 L68	L45-K64 HydrophobicContact CD1-CB 4.01Å; L45-K64 HydrophobicContact CD2-CB 4.39Å; L45-K64 HydrophobicContact CD2-CD 4.36Å; R60-K64 PolarHBondContact O-N 3.12Å; S61-K64 PolarHBondContact O-N 3.32Å; K64-R66 VanDerWaalsContact C-N 3.25Å; K64-R66 PolarHBondContact O-N 3.28Å; K64-E67 PolarHBondContact O-N 3.45Å; K64-L68 PolarHBondContact O-N 3.46Å
65	A	96.6	Very high	93.6	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-39.1	175	0	0	0	0	0	111.3	A42 L45 T46 S61 K62 Y63 E67 L68 L69	A42-A65 HydrophobicContact CB-CB 4.21Å; A42-A65 WeakPolarHBondContact O-CB 3.38Å; L45-A65 HydrophobicContact CB-CB 3.96Å; L45-A65 HydrophobicContact CD1-CB 4.46Å; T46-A65 VanDerWaalsContact OG1-CB 3.3Å; T46-A65 WeakPolarHBondContact OG1-CB 3.3Å; S61-A65 PolarHBondContact O-N 2.93Å; K62-A65 WeakPolarHBondContact O-CB 3.37Å; K62-A65 PolarHBondContact O-N 2.85Å; Y63-A65 VanDerWaalsContact C-N 3.35Å; Y63-A65 PolarHBondContact O-N 3.5Å; A65-E67 PolarHBondContact O-N 2.91Å; A65-L68 PolarHBondContact O-N 3.35Å; A65-L69 WeakPolarHBondContact O-CG 3.49Å; A65-L69 PolarHBondContact O-N 3.2Å
66	R	96.6	Very high	93.7	Very high	17 Å²	17	58.5 Å²	58.5	6%	0.064	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-41.2	176.2	-166.9	-172.3	-62.6	179.7	-5.7	112.7	K62 Y63 K64 L69 R70 L134 N137 H138 T141 E143	K62-R66 PolarHBondContact O-N 3.45Å; Y63-R66 VanDerWaalsContact O-CB 3.27Å; Y63-R66 WeakPolarHBondContact O-CB 3.46Å; Y63-R66 PolarHBondContact O-N 2.85Å; K64-R66 VanDerWaalsContact C-N 3.25Å; K64-R66 PolarHBondContact O-N 3.28Å; R66-L69 PolarHBondContact O-N 3.22Å; R66-R70 WeakPolarHBondContact O-CG 3.42Å; R66-R70 PolarHBondContact O-N 3.26Å; R66-L134 HydrophobicContact CG-CD2 3.74Å; R66-N137 PolarHBondContact NE-OD1 2.88Å; R66-N137 PolarHBondContact NH2-OD1 3.04Å; R66-N137 VanDerWaalsContact NH2-OD1 3.14Å; R66-H138 PolarHBondContact NH1-CE1 3.12Å; R66-H138 PolarHBondContact NH1-ND1 3.18Å; R66-T141 PolarHBondContact NH2-OG1 2.83Å; R66-E143 IonicContact CZ-OE1 3.77Å; R66-E143 IonicContact NH1-OE1 2.98Å; R66-E143 PolarHBondContact NH1-OE1 3.13Å; R66-E143 IonicContact NH1-OE2 2.71Å; R66-E143 PolarHBondContact NH1-OE2 2.98Å; R66-E143 IonicContact NH2-OE1 3.9Å; R66-E143 PolarHBondContact NH2-OE1 3.29Å
67	E	96.8	Very high	93.5	Very high	125 Å²	125	55.5 Å²	55.5	58%	0.584	26%	0.261	S	S	*	.	H	α-helix	trans	-60.2	-47.6	175.4	-66.8	-180	163.1	0	0	111.2	Y63 K64 A65 L69 R70 E71	Y63-E67 PolarHBondContact O-N 2.97Å; K64-E67 PolarHBondContact O-N 3.45Å; A65-E67 PolarHBondContact O-N 2.91Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.44Å; E67-R70 PolarHBondContact O-N 3.47Å; E67-E71 WeakPolarHBondContact O-CG 3.44Å; E67-E71 PolarHBondContact O-N 2.88Å
68	L	96.7	Very high	92.9	Very high	27 Å²	27	56.4 Å²	56.4	14%	0.141	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-41.4	177.1	-64.8	173.8	0	0	0	112.3	K38 N41 A42 L45 K64 A65 E71 I72	K38-L68 HydrophobicContact CG-CD2 4.42Å; N41-L68 HydrophobicContact CB-CD1 4.08Å; N41-L68 WeakPolarHBondContact ND2-CD1 3.46Å; A42-L68 HydrophobicContact CB-CB 4.11Å; A42-L68 HydrophobicContact CB-CD1 4.22Å; L45-L68 HydrophobicContact CD1-CD1 3.71Å; K64-L68 PolarHBondContact O-N 3.46Å; A65-L68 PolarHBondContact O-N 3.35Å; L68-E71 WeakPolarHBondContact O-CB 3.48Å; L68-E71 PolarHBondContact O-N 3.01Å; L68-I72 WeakPolarHBondContact O-CD1 3.28Å; L68-I72 VanDerWaalsContact O-CG1 3.26Å; L68-I72 WeakPolarHBondContact O-CG1 3.36Å; L68-I72 PolarHBondContact O-N 3.29Å
69	L	96.4	Very high	91.7	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-40.8	176.5	-70.4	169.8	0	0	0	111.8	F39 A42 A65 R66 E67 I72 Y73 V130 L134	F39-L69 HydrophobicContact CD2-CD2 4.22Å; F39-L69 HydrophobicContact CE2-CD2 4.39Å; A42-L69 HydrophobicContact CB-CD2 4.34Å; A42-L69 HydrophobicContact CB-CG 4.24Å; A65-L69 WeakPolarHBondContact O-CG 3.49Å; A65-L69 PolarHBondContact O-N 3.2Å; R66-L69 PolarHBondContact O-N 3.22Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.44Å; L69-I72 HydrophobicContact CD2-CD1 4.49Å; L69-I72 PolarHBondContact O-N 2.88Å; L69-Y73 PolarHBondContact O-N 2.65Å; L69-V130 HydrophobicContact CB-CG1 4.32Å; L69-V130 VanDerWaalsContact O-CG1 3.29Å; L69-V130 WeakPolarHBondContact O-CG1 3.37Å; L69-L134 HydrophobicContact CB-CD2 3.61Å; L69-L134 HydrophobicContact CB-CG 3.96Å; L69-L134 HydrophobicContact CD1-CD2 4.2Å; L69-L134 HydrophobicContact CD1-CG 4.45Å
70	R	95.6	Very high	89.9	Confident	121 Å²	121	56.6 Å²	56.6	46%	0.457	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-39.9	174.5	-72.9	175.8	-180	175.8	-0.3	112	R66 E67 Y73 C74 L134	R66-R70 WeakPolarHBondContact O-CG 3.42Å; R66-R70 PolarHBondContact O-N 3.26Å; E67-R70 PolarHBondContact O-N 3.47Å; R70-Y73 PolarHBondContact O-N 3.11Å; R70-C74 PolarHBondContact O-N 3.46Å; R70-C74 PolarHBondContact O-SG 3.06Å; R70-L134 HydrophobicContact CG-CD1 4.47Å; R70-L134 HydrophobicContact CG-CD2 4.04Å
71	E	94.7	Very high	87.7	Confident	88 Å²	88	54.6 Å²	54.6	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-46.4	174.1	-72.4	-178.2	-163.2	0	0	111.7	K38 E67 L68 Y73 C74 S75	K38-E71 WeakPolarHBondContact CE-OE2 3.45Å; K38-E71 IonicContact NZ-OE2 3.04Å; K38-E71 PolarHBondContact NZ-OE2 3.48Å; E67-E71 WeakPolarHBondContact O-CG 3.44Å; E67-E71 PolarHBondContact O-N 2.88Å; L68-E71 WeakPolarHBondContact O-CB 3.48Å; L68-E71 PolarHBondContact O-N 3.01Å; E71-Y73 VanDerWaalsContact C-N 3.3Å; E71-Y73 PolarHBondContact O-N 2.58Å; E71-C74 PolarHBondContact O-N 2.98Å; E71-S75 PolarHBondContact O-N 3.41Å; E71-S75 PolarHBondContact O-OG 3.48Å
72	I	93.6	Very high	85.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.5	-46.3	176.4	-68.7	160.9	0	0	0	110.2	I35 K38 F39 L68 L69 C74 S75 L76 V130 F220	I35-I72 HydrophobicContact CG2-CG1 4.43Å; I35-I72 HydrophobicContact CG2-CG2 3.81Å; K38-I72 HydrophobicContact CB-CD1 3.84Å; K38-I72 HydrophobicContact CB-CG1 3.84Å; K38-I72 HydrophobicContact CD-CG1 4.31Å; F39-I72 HydrophobicContact CB-CD1 3.86Å; F39-I72 HydrophobicContact CD2-CD1 4.39Å; L68-I72 WeakPolarHBondContact O-CD1 3.28Å; L68-I72 VanDerWaalsContact O-CG1 3.26Å; L68-I72 WeakPolarHBondContact O-CG1 3.36Å; L68-I72 PolarHBondContact O-N 3.29Å; L69-I72 HydrophobicContact CD2-CD1 4.49Å; L69-I72 PolarHBondContact O-N 2.88Å; I72-C74 VanDerWaalsContact C-N 3.35Å; I72-C74 PolarHBondContact O-N 3.37Å; I72-S75 PolarHBondContact O-N 3.06Å; I72-L76 HydrophobicContact CG2-CD1 3.86Å; I72-L76 HydrophobicContact CG2-CG 4.26Å; I72-L76 VanDerWaalsContact O-CG 3.3Å; I72-L76 WeakPolarHBondContact O-CG 3.41Å; I72-L76 PolarHBondContact O-N 3.47Å; I72-V130 HydrophobicContact CG2-CG2 3.88Å; I72-F220 HydrophobicContact CG2-CE1 4.3Å
73	Y	92.8	Very high	82.6	Confident	39 Å²	39	64.7 Å²	64.7	15%	0.153	34%	0.344	C	S	.	.	H	α-helix	trans	-58.3	-45.6	178.1	-172.9	-96.2	0	0	0	112.4	L69 R70 E71 L76 K77 L127 V130 E131	L69-Y73 PolarHBondContact O-N 2.65Å; R70-Y73 PolarHBondContact O-N 3.11Å; E71-Y73 VanDerWaalsContact C-N 3.3Å; E71-Y73 PolarHBondContact O-N 2.58Å; Y73-L76 PolarHBondContact O-N 3.13Å; Y73-K77 HydrophobicContact CD1-CD 4.28Å; Y73-K77 HydrophobicContact CE1-CD 3.74Å; Y73-K77 HydrophobicContact CE1-CG 4.4Å; Y73-K77 PolarHBondContact O-N 3.41Å; Y73-K77 VanDerWaalsContact O-N 3.07Å; Y73-K77 VanDerWaalsContact OH-CE 3.27Å; Y73-K77 WeakPolarHBondContact OH-CE 3.29Å; Y73-K77 PolarHBondContact OH-NZ 3.44Å; Y73-L127 HydrophobicContact CD2-CD2 3.96Å; Y73-L127 HydrophobicContact CE2-CD2 3.91Å; Y73-V130 HydrophobicContact CD2-CB 4.18Å; Y73-V130 HydrophobicContact CD2-CG1 4.16Å; Y73-V130 HydrophobicContact CG-CG1 4.5Å; Y73-E131 HydrophobicContact CD2-CG 4.45Å; Y73-E131 HydrophobicContact CE2-CG 3.78Å; Y73-E131 WeakPolarHBondContact CE2-OE1 2.98Å; Y73-E131 PolarHBondContact OH-OE1 3.27Å
74	C	91.6	Very high	80	Confident	79 Å²	79	63.8 Å²	63.8	53%	0.534	36%	0.362	S	S	.	.	H	α-helix	trans	-63.5	-44	176.6	-65.5	0	0	0	0	111.4	R70 E71 I72 L76 K77 S78	R70-C74 PolarHBondContact O-N 3.46Å; R70-C74 PolarHBondContact O-SG 3.06Å; E71-C74 PolarHBondContact O-N 2.98Å; I72-C74 VanDerWaalsContact C-N 3.35Å; I72-C74 PolarHBondContact O-N 3.37Å; C74-L76 PolarHBondContact O-N 2.97Å; C74-K77 PolarHBondContact O-N 3.21Å; C74-S78 PolarHBondContact O-N 3.41Å; C74-S78 PolarHBondContact O-OG 2.71Å
75	S	89.8	Confident	77	Confident	37 Å²	37	66.6 Å²	66.6	26%	0.259	38%	0.377	S	S	.	.	H	α-helix	trans	-58.5	-48.3	176.1	-66.1	0	0	0	0	111.1	E71 I72 K77 S78 F79	E71-S75 PolarHBondContact O-N 3.41Å; E71-S75 PolarHBondContact O-OG 3.48Å; I72-S75 PolarHBondContact O-N 3.06Å; S75-K77 VanDerWaalsContact C-N 3.33Å; S75-K77 PolarHBondContact O-N 3.28Å; S75-S78 WeakPolarHBondContact CA-OG 3.48Å; S75-S78 PolarHBondContact O-N 2.94Å; S75-S78 VanDerWaalsContact O-N 3.1Å; S75-S78 PolarHBondContact O-OG 3.49Å; S75-F79 WeakPolarHBondContact O-CB 3.26Å; S75-F79 PolarHBondContact O-N 3.27Å
76	L	87.4	Confident	73.9	Confident	13 Å²	13	75.2 Å²	75.2	7%	0.068	42%	0.417	C	S	.	.	H	α-helix	trans	-60.6	-37.7	177.9	-69.6	169.4	0	0	0	113.2	W32 I35 I72 Y73 C74 K126 L127 V130 F220	W32-L76 HydrophobicContact CZ3-CD2 3.88Å; I35-L76 HydrophobicContact CD1-CD2 4.24Å; I72-L76 HydrophobicContact CG2-CD1 3.86Å; I72-L76 HydrophobicContact CG2-CG 4.26Å; I72-L76 VanDerWaalsContact O-CG 3.3Å; I72-L76 WeakPolarHBondContact O-CG 3.41Å; I72-L76 PolarHBondContact O-N 3.47Å; Y73-L76 PolarHBondContact O-N 3.13Å; C74-L76 PolarHBondContact O-N 2.97Å; L76-K126 HydrophobicContact CD1-CB 4.45Å; L76-L127 HydrophobicContact CB-CD2 3.77Å; L76-L127 HydrophobicContact CD1-CD2 4.28Å; L76-V130 HydrophobicContact CD1-CG2 3.75Å; L76-F220 HydrophobicContact CD1-CE1 3.86Å; L76-F220 HydrophobicContact CD1-CZ 4.34Å
77	K	86.1	Confident	70.9	Confident	104 Å²	104	82 Å²	82	45%	0.452	45%	0.454	S	S	.	.	H	α-helix	trans	-66.4	-40.6	173.8	-79.4	-169.8	173.7	176.7	0	112.2	Y73 C74 S75 L127	Y73-K77 HydrophobicContact CD1-CD 4.28Å; Y73-K77 HydrophobicContact CE1-CD 3.74Å; Y73-K77 HydrophobicContact CE1-CG 4.4Å; Y73-K77 PolarHBondContact O-N 3.41Å; Y73-K77 VanDerWaalsContact O-N 3.07Å; Y73-K77 VanDerWaalsContact OH-CE 3.27Å; Y73-K77 WeakPolarHBondContact OH-CE 3.29Å; Y73-K77 PolarHBondContact OH-NZ 3.44Å; C74-K77 PolarHBondContact O-N 3.21Å; S75-K77 VanDerWaalsContact C-N 3.33Å; S75-K77 PolarHBondContact O-N 3.28Å; K77-L127 HydrophobicContact CG-CD2 4.16Å
78	S	76.6	Confident	67.7	Low	83 Å²	83	82.3 Å²	82.3	58%	0.58	46%	0.464	S	S	*	.	H	α-helix	trans	-77.4	-33.7	-177.7	65.3	0	0	0	0	114.3	C74 S75 E80	C74-S78 PolarHBondContact O-N 3.41Å; C74-S78 PolarHBondContact O-OG 2.71Å; S75-S78 WeakPolarHBondContact CA-OG 3.48Å; S75-S78 PolarHBondContact O-N 2.94Å; S75-S78 VanDerWaalsContact O-N 3.1Å; S75-S78 PolarHBondContact O-OG 3.49Å; S78-E80 PolarHBondContact O-N 2.72Å
79	F	61.6	Low	64.3	Low	54 Å²	54	84.1 Å²	84.1	24%	0.237	49%	0.49	C	S	.	.	H	α-helix	trans	-63.3	-27.5	-171.3	-167.3	-109.1	0	0	0	112.8	S29 E31 S75	S29-F79 WeakPolarHBondContact OG-CZ 3.31Å; E31-F79 HydrophobicContact CB-CD2 4.22Å; E31-F79 HydrophobicContact CB-CE2 3.62Å; E31-F79 HydrophobicContact CG-CE2 4.5Å; E31-F79 WeakPolarHBondContact OE2-CD2 3.49Å; E31-F79 WeakPolarHBondContact OE2-CE2 3.13Å; S75-F79 WeakPolarHBondContact O-CB 3.26Å; S75-F79 PolarHBondContact O-N 3.27Å
80	E	55.6	Low	61	Low	68 Å²	68	87.4 Å²	87.4	32%	0.318	52%	0.524	S	S	.	.	S	Bend	trans	-124.3	3.4	-173.1	-67.8	177.2	173.1	0	0	114	S78 G82 E83 R123	S78-E80 PolarHBondContact O-N 2.72Å; E80-G82 PolarHBondContact O-N 3.5Å; E80-G82 VanDerWaalsContact O-N 3.13Å; E80-E83 PolarHBondContact O-N 3.29Å; E80-R123 WeakPolarHBondContact OE2-CD 3.48Å; E80-R123 IonicContact OE2-NE 3.85Å
81	A	49.2	Very low	57.9	Low	80 Å²	80	90.9 Å²	90.9	66%	0.661	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-10.2	165.9	0	0	0	0	0	112.8
82	G	43.8	Very low	54.6	Low	73 Å²	73	94.1 Å²	94.1	75%	0.753	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-12.7	174.2	0	0	0	0	0	115.3	E80	E80-G82 PolarHBondContact O-N 3.5Å; E80-G82 VanDerWaalsContact O-N 3.13Å
83	E	40.8	Very low	51.4	Low	176 Å²	176	99.7 Å²	99.7	82%	0.822	60%	0.603	S	S	*	*	S	Bend	trans	-113.7	72.3	177.3	-68.5	-165.6	169.6	0	0	110.7	E80	E80-E83 PolarHBondContact O-N 3.29Å
84	G	41.7	Very low	48.2	Very low	72 Å²	72	106.5 Å²	106.5	74%	0.742	64%	0.637	S	S	*	*			trans	42.8	80.4	155.5	0	0	0	0	0	118.5
85	E	32.8	Very low	45.2	Very low	139 Å²	139	111.3 Å²	111.3	65%	0.65	65%	0.651	S	S	*	*			trans	-110	102	148.3	-83.3	178.1	160.3	0	0	108	D87 R123	E85-D87 PolarHBondContact O-N 3.34Å; E85-R123 IonicContact OE1-NH1 3.53Å; E85-R123 IonicContact OE2-CZ 3.87Å; E85-R123 IonicContact OE2-NH1 2.76Å; E85-R123 PolarHBondContact OE2-NH1 3.21Å
86	E	32.6	Very low	42.3	Very low	181 Å²	181	117.3 Å²	117.3	85%	0.846	67%	0.668	S	S	*	*			trans	-65.8	117.7	153.6	-79.2	-175.4	167	0	0	107	V88	E86-V88 HydrophobicContact CB-CG2 4.49Å; E86-V88 PolarHBondContact O-N 2.93Å
87	D	33.3	Very low	39.4	Very low	160 Å²	160	120.8 Å²	120.8	86%	0.856	69%	0.692	S	S	*	*			trans	-55.2	97.9	170.2	-167.7	14.8	0	0	0	109.5	E85	E85-D87 PolarHBondContact O-N 3.34Å
88	V	29.1	Very low	37	Very low	131 Å²	131	121.8 Å²	121.8	79%	0.794	71%	0.709	S	S	*	*			trans	-118.5	92.9	171.2	-173.5	0	0	0	0	108.4	E86	E86-V88 HydrophobicContact CB-CG2 4.49Å; E86-V88 PolarHBondContact O-N 2.93Å
89	G	26.5	Very low	34.8	Very low	65 Å²	65	125 Å²	125	67%	0.67	72%	0.719	S	S	*	*			trans	142	76.8	149.3	0	0	0	0	0	116.6
90	G	25.2	Very low	33.4	Very low	72 Å²	72	127.9 Å²	127.9	74%	0.742	73%	0.734	S	S	*	*				58.7	110.5	126.9	0	0	0	0	0	118.5	N92	G90-N92 PolarHBondContact O-N 3.3Å
91	E	31.9	Very low	32.4	Very low	195 Å²	195	130.1 Å²	130.1	91%	0.911	75%	0.754	S	S	*	*			trans	-41.5	107.5	155.4	-64.5	175.5	148	0	0	111.6
92	N	24	Very low	32.3	Very low	156 Å²	156	129.6 Å²	129.6	83%	0.834	74%	0.742	S	S	*	*			trans	-134.2	77.8	148.2	-97.1	-14.8	0	0	0	106.7	G90 E94	G90-N92 PolarHBondContact O-N 3.3Å; N92-E94 PolarHBondContact O-N 2.87Å; N92-E94 VanDerWaalsContact O-N 3.08Å
93	C	26.8	Very low	32.4	Very low	117 Å²	117	127 Å²	127	79%	0.791	71%	0.711	S	S	*	*			trans	-76.8	81.9	166.2	-161.8	0	0	0	0	107.3	Q95	C93-Q95 PolarHBondContact O-N 2.96Å; C93-Q95 VanDerWaalsContact O-N 3.11Å
94	E	26.2	Very low	32.4	Very low	182 Å²	182	121.8 Å²	121.8	85%	0.85	71%	0.705	S	S	*	*			trans	-68.7	103.7	160.6	-78.7	-167.1	162.3	0	0	107.4	N92 R96	N92-E94 PolarHBondContact O-N 2.87Å; N92-E94 VanDerWaalsContact O-N 3.08Å; E94-R96 PolarHBondContact O-N 3.44Å
95	Q	28	Very low	32.6	Very low	180 Å²	180	123.4 Å²	123.4	84%	0.841	69%	0.693	S	S	*	*			trans	-61.9	106.1	167	-72.1	175.8	-11.1	0	0	108	C93	C93-Q95 PolarHBondContact O-N 2.96Å; C93-Q95 VanDerWaalsContact O-N 3.11Å
96	R	29.4	Very low	33.3	Very low	162 Å²	162	120.2 Å²	120.2	61%	0.611	68%	0.683	S	S	*	*			trans	-64.8	135.6	168.7	-125	-179.7	-166.6	169.4	5.7	108.7	E94	E94-R96 PolarHBondContact O-N 3.44Å
97	P	26.3	Very low	33.8	Very low	87 Å²	87	119.3 Å²	119.3	57%	0.565	68%	0.679	S	S	*	*			trans	-61.5	157	173	-16.5	28.9	0	0	0	111.3	D99	P97-D99 PolarHBondContact O-N 3.33Å; P97-D99 VanDerWaalsContact O-N 3.11Å
98	P	35	Very low	34.8	Very low	124 Å²	124	116.2 Å²	116.2	81%	0.805	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-13.2	-173.2	-16.2	29.9	0	0	0	115.5
99	D	30.5	Very low	36.2	Very low	151 Å²	151	111.4 Å²	111.4	81%	0.807	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	33.2	-162.1	-62.4	-25.8	0	0	0	114.6	P97	P97-D99 PolarHBondContact O-N 3.33Å; P97-D99 VanDerWaalsContact O-N 3.11Å
100	Q	32.3	Very low	37.8	Very low	115 Å²	115	108.8 Å²	108.8	54%	0.537	61%	0.606	S	S	.	*	S	Bend	trans	-117.5	136.1	170.2	-76.8	-175.5	2.3	0	0	111.7	V102	Q100-V102 PolarHBondContact O-N 2.99Å
101	P	35.1	Very low	39.4	Very low	114 Å²	114	109.4 Å²	109.4	74%	0.74	60%	0.599	S	S	*	*			trans	-60.5	126.8	179.2	23.6	-30.9	0	0	0	110	D103	P101-D103 VanDerWaalsContact C-N 3.27Å; P101-D103 PolarHBondContact O-N 2.91Å
102	V	46.9	Very low	40.9	Very low	69 Å²	69	106.7 Å²	106.7	42%	0.418	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.2	-22.4	-166.6	173.3	0	0	0	0	113.4	Q100 M152 F194	Q100-V102 PolarHBondContact O-N 2.99Å; V102-M152 HydrophobicContact CG1-CE 3.94Å; V102-F194 HydrophobicContact CB-CZ 4.05Å; V102-F194 HydrophobicContact CG1-CE1 4.03Å; V102-F194 HydrophobicContact CG1-CZ 3.73Å
103	D	46.1	Very low	43.4	Very low	20 Å²	20	101.6 Å²	101.6	11%	0.107	57%	0.571	C	S	.	*	T	Hydrogen-bonded Turn	trans	-127.4	35	-164	-146.9	10.2	0	0	0	114.4	P101 Q105 R175 F194 S197	P101-D103 VanDerWaalsContact C-N 3.27Å; P101-D103 PolarHBondContact O-N 2.91Å; D103-Q105 PolarHBondContact O-N 2.83Å; D103-R175 IonicContact OD1-CZ 3.5Å; D103-R175 IonicContact OD1-NE 3.12Å; D103-R175 IonicContact OD1-NH2 3.91Å; D103-R175 PolarHBondContact OD1-NH2 2.84Å; D103-R175 IonicContact OD2-NE 3.71Å; D103-R175 PolarHBondContact OD2-NE 3.15Å; D103-R175 VanDerWaalsContact OD2-NE 3.12Å; D103-F194 HydrophobicContact CB-CD1 4.32Å; D103-F194 HydrophobicContact CB-CE1 4.45Å; D103-F194 WeakPolarHBondContact OD2-CA 3.38Å; D103-S197 PolarHBondContact O-OG 3.31Å; D103-S197 WeakPolarHBondContact OD2-CB 3.27Å; D103-S197 PolarHBondContact OD2-OG 3.42Å
104	G	40	Very low	45.6	Very low	66 Å²	66	100.9 Å²	100.9	68%	0.68	55%	0.554	S	S	*	*			trans	-75.9	15.4	172.5	0	0	0	0	0	115.5
105	Q	46.1	Very low	48.1	Very low	105 Å²	105	94.9 Å²	94.9	49%	0.491	53%	0.533	S	S	.	.			trans	-108.5	73.8	-170.9	-69.6	-173.7	-16.7	0	0	112.1	D103	D103-Q105 PolarHBondContact O-N 2.83Å
106	T	48.1	Very low	50.2	Low	73 Å²	73	86.4 Å²	86.4	45%	0.448	49%	0.493	S	S	.	.			trans	-87.1	-18.1	-178.8	3.5	0	0	0	0	114.2	S200	T106-S200 WeakPolarHBondContact CG2-OG 3.21Å
107	E	43.4	Very low	52.5	Low	162 Å²	162	83.8 Å²	83.8	76%	0.757	49%	0.492	S	S	*	.	S	Bend	trans	-97.5	-31.9	-169.6	-65.7	-162.2	153.4	0	0	115.4
108	D	53.5	Low	55.3	Low	95 Å²	95	81 Å²	81	51%	0.508	48%	0.475	S	S	.	.	S	Bend	trans	-89.3	-24.2	-169.1	-77.7	-29.7	0	0	0	115.7	F110 S111 Q112	D108-F110 PolarHBondContact O-N 3.41Å; D108-F110 VanDerWaalsContact O-N 3.1Å; D108-S111 PolarHBondContact O-N 2.91Å; D108-Q112 PolarHBondContact O-N 3.25Å; D108-Q112 VanDerWaalsContact O-N 3.16Å
109	A	58.9	Low	57.5	Low	29 Å²	29	79.7 Å²	79.7	24%	0.24	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.9	-172	0	0	0	0	0	114.9	V163	A109-V163 HydrophobicContact CB-CG2 4.13Å; A109-V163 PolarHBondContact O-N 3.45Å
110	F	59.6	Low	60.1	Low	10 Å²	10	74 Å²	74	4%	0.044	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-1.9	178.4	-79.4	-100.1	0	0	0	113.3	D108 R162 V163 I201 R204	D108-F110 PolarHBondContact O-N 3.41Å; D108-F110 VanDerWaalsContact O-N 3.1Å; F110-R162 VanDerWaalsContact O-CZ 3.24Å; F110-R162 PolarHBondContact O-NE 3.03Å; F110-R162 PolarHBondContact O-NH2 3.24Å; F110-R162 VanDerWaalsContact O-NH2 3.11Å; F110-V163 HydrophobicContact CD1-CB 3.89Å; F110-V163 HydrophobicContact CD1-CG1 4.18Å; F110-V163 HydrophobicContact CD2-CB 4.16Å; F110-V163 HydrophobicContact CD2-CG2 4.19Å; F110-V163 HydrophobicContact CE1-CB 3.81Å; F110-V163 HydrophobicContact CE1-CG1 3.57Å; F110-V163 HydrophobicContact CE2-CB 4.08Å; F110-V163 HydrophobicContact CE2-CG1 4.14Å; F110-V163 HydrophobicContact CE2-CG2 4.08Å; F110-V163 HydrophobicContact CG-CB 4.07Å; F110-V163 HydrophobicContact CZ-CB 3.91Å; F110-V163 HydrophobicContact CZ-CG1 3.55Å; F110-V163 HydrophobicContact CZ-CG2 4.34Å; F110-I201 HydrophobicContact CE2-CG1 4.18Å; F110-I201 HydrophobicContact CE2-CG2 4.49Å; F110-I201 HydrophobicContact CZ-CG2 4.22Å; F110-R204 HydrophobicContact CD1-CG 4.38Å; F110-R204 HydrophobicContact CE1-CB 4.45Å; F110-R204 HydrophobicContact CE1-CG 3.99Å; F110-R204 HydrophobicContact CE2-CB 4.34Å; F110-R204 HydrophobicContact CE2-CG 4.22Å; F110-R204 HydrophobicContact CZ-CB 3.96Å; F110-R204 HydrophobicContact CZ-CG 3.9Å
111	S	59.5	Low	62.5	Low	85 Å²	85	68.5 Å²	68.5	59%	0.594	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	-29.4	-170.9	-50.6	0	0	0	0	112.1	D108	D108-S111 PolarHBondContact O-N 2.91Å
112	Q	63.5	Low	64.9	Low	138 Å²	138	65.9 Å²	65.9	65%	0.645	39%	0.393	S	S	*	.	S	Bend	trans	-123.8	143.3	-171.4	-157.1	167.1	-1.1	0	0	110.7	D108	D108-Q112 PolarHBondContact O-N 3.25Å; D108-Q112 VanDerWaalsContact O-N 3.16Å
113	G	76.1	Confident	66.8	Low	49 Å²	49	65.4 Å²	65.4	51%	0.505	38%	0.383	S	S	.	.	S	Bend	trans	119.1	175.5	-180	0	0	0	0	0	114.4	K160	G113-K160 CarbonylContact C-O 3.6Å; G113-K160 WeakPolarHBondContact CA-O 3.43Å
114	F	73.8	Confident	68.8	Low	102 Å²	102	64.9 Å²	64.9	45%	0.447	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-64.8	141.7	175.5	-61	-63.3	0	0	0	110.7	A120 K160 R162	F114-A120 HydrophobicContact CD1-CB 3.96Å; F114-A120 HydrophobicContact CD2-CB 4.12Å; F114-A120 HydrophobicContact CE1-CB 4.14Å; F114-A120 HydrophobicContact CE2-CB 4.3Å; F114-A120 HydrophobicContact CG-CB 3.95Å; F114-A120 HydrophobicContact CZ-CB 4.32Å; F114-K160 HydrophobicContact CD2-CB 4.15Å; F114-K160 WeakPolarHBondContact CD2-O 3.49Å; F114-K160 HydrophobicContact CE2-CB 4.3Å; F114-K160 PolarHBondContact N-O 3.45Å; F114-R162 PolarHBondContact O-N 3.48Å
115	S	77.1	Confident	71.3	Confident	56 Å²	56	61.9 Å²	61.9	39%	0.392	35%	0.35	S	S	.	.			trans	-63.7	138.2	171.2	-163.9	0	0	0	0	109.8	D117 S118	S115-D117 WeakPolarHBondContact CB-OD1 3.43Å; S115-D117 PolarHBondContact O-N 3.41Å; S115-D117 PolarHBondContact OG-OD1 3.01Å; S115-S118 VanDerWaalsContact O-CB 3.23Å; S115-S118 WeakPolarHBondContact O-CB 3.28Å; S115-S118 PolarHBondContact O-N 3.18Å; S115-S118 PolarHBondContact O-OG 3.23Å
116	G	73.9	Confident	73.5	Confident	2 Å²	2	58.4 Å²	58.4	2%	0.021	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.7	-176.4	0	0	0	0	0	114.2	S164	G116-S164 WeakPolarHBondContact CA-OG 3.42Å
117	D	76.8	Confident	75.6	Confident	108 Å²	108	55.7 Å²	55.7	58%	0.578	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.8	173.7	64.5	-21.6	0	0	0	113.9	S115	S115-D117 WeakPolarHBondContact CB-OD1 3.43Å; S115-D117 PolarHBondContact O-N 3.41Å; S115-D117 PolarHBondContact OG-OD1 3.01Å
118	S	84.6	Confident	78	Confident	29 Å²	29	48 Å²	48	20%	0.203	28%	0.28	C	S	.	.	S	Bend	trans	-74.1	150.9	173.8	75.2	0	0	0	0	111.1	S115 A120 G121 M122	S115-S118 VanDerWaalsContact O-CB 3.23Å; S115-S118 WeakPolarHBondContact O-CB 3.28Å; S115-S118 PolarHBondContact O-N 3.18Å; S115-S118 PolarHBondContact O-OG 3.23Å; S118-A120 VanDerWaalsContact C-N 3.29Å; S118-A120 PolarHBondContact O-N 3.44Å; S118-G121 PolarHBondContact O-N 3.07Å; S118-G121 VanDerWaalsContact O-N 3.15Å; S118-G121 PolarHBondContact OG-N 3.41Å; S118-M122 WeakPolarHBondContact O-CB 3.34Å; S118-M122 PolarHBondContact O-N 3.02Å
119	P	82.3	Confident	80.1	Confident	96 Å²	96	43.5 Å²	43.5	62%	0.623	26%	0.256	S	S	*	.	H	α-helix	trans	-54.7	-43.8	176.5	-26.7	35	0	0	0	113	M122 R123	P119-M122 PolarHBondContact O-N 2.95Å; P119-R123 VanDerWaalsContact O-CB 3.29Å; P119-R123 WeakPolarHBondContact O-CB 3.36Å; P119-R123 PolarHBondContact O-N 3.31Å
120	A	83.6	Confident	81.8	Confident	30 Å²	30	42.1 Å²	42.1	25%	0.248	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-42.2	177.3	0	0	0	0	0	112.5	F114 S118 R123 A124	F114-A120 HydrophobicContact CD1-CB 3.96Å; F114-A120 HydrophobicContact CD2-CB 4.12Å; F114-A120 HydrophobicContact CE1-CB 4.14Å; F114-A120 HydrophobicContact CE2-CB 4.3Å; F114-A120 HydrophobicContact CG-CB 3.95Å; F114-A120 HydrophobicContact CZ-CB 4.32Å; S118-A120 VanDerWaalsContact C-N 3.29Å; S118-A120 PolarHBondContact O-N 3.44Å; A120-R123 PolarHBondContact O-N 3.1Å; A120-A124 WeakPolarHBondContact O-CB 3.4Å; A120-A124 PolarHBondContact O-N 3.08Å
121	G	84.6	Confident	83.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-44.6	177	0	0	0	0	0	112.7	S118 R123 A124 A125 C161	S118-G121 PolarHBondContact O-N 3.07Å; S118-G121 VanDerWaalsContact O-N 3.15Å; S118-G121 PolarHBondContact OG-N 3.41Å; G121-R123 VanDerWaalsContact C-N 3.33Å; G121-R123 PolarHBondContact O-N 3.49Å; G121-A124 PolarHBondContact O-N 3.25Å; G121-A125 WeakPolarHBondContact O-CB 3.4Å; G121-A125 PolarHBondContact O-N 3.35Å; G121-C161 PolarHBondContact O-SG 3.39Å
122	M	85.6	Confident	85.5	Confident	60 Å²	60	38.8 Å²	38.8	30%	0.296	22%	0.219	S	C	.	.	H	α-helix	trans	-63.7	-38.9	176.3	-170.9	63.5	62.8	0	0	111.7	S118 P119 A125 K126 E166 Y219	S118-M122 WeakPolarHBondContact O-CB 3.34Å; S118-M122 PolarHBondContact O-N 3.02Å; P119-M122 PolarHBondContact O-N 2.95Å; M122-A125 PolarHBondContact O-N 3.19Å; M122-K126 WeakPolarHBondContact O-CG 3.16Å; M122-K126 PolarHBondContact O-N 3.25Å; M122-E166 HydrophobicContact CE-CB 4.4Å; M122-E166 HydrophobicContact CE-CG 4.25Å; M122-Y219 HydrophobicContact SD-CD1 4.31Å; M122-Y219 HydrophobicContact SD-CE1 4.35Å
123	R	85.8	Confident	87.1	Confident	59 Å²	59	33.6 Å²	33.6	22%	0.223	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-49.6	175.3	-178.1	-177.9	-178.9	-153.8	3.4	111.6	E80 E85 P119 A120 G121 A125 K126 L127	E80-R123 WeakPolarHBondContact OE2-CD 3.48Å; E80-R123 IonicContact OE2-NE 3.85Å; E85-R123 IonicContact OE1-NH1 3.53Å; E85-R123 IonicContact OE2-CZ 3.87Å; E85-R123 IonicContact OE2-NH1 2.76Å; E85-R123 PolarHBondContact OE2-NH1 3.21Å; P119-R123 VanDerWaalsContact O-CB 3.29Å; P119-R123 WeakPolarHBondContact O-CB 3.36Å; P119-R123 PolarHBondContact O-N 3.31Å; A120-R123 PolarHBondContact O-N 3.1Å; G121-R123 VanDerWaalsContact C-N 3.33Å; G121-R123 PolarHBondContact O-N 3.49Å; R123-A125 VanDerWaalsContact C-N 3.32Å; R123-A125 PolarHBondContact O-N 3.38Å; R123-K126 PolarHBondContact O-N 2.83Å; R123-L127 HydrophobicContact CG-CD1 4.31Å; R123-L127 PolarHBondContact O-N 3.48Å
124	A	89.1	Confident	88.1	Confident	9 Å²	9	31.4 Å²	31.4	7%	0.074	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-40.4	177	0	0	0	0	0	111.8	A120 G121 L127 G128 C161	A120-A124 WeakPolarHBondContact O-CB 3.4Å; A120-A124 PolarHBondContact O-N 3.08Å; G121-A124 PolarHBondContact O-N 3.25Å; A124-L127 PolarHBondContact O-N 3.42Å; A124-G128 PolarHBondContact O-N 3.04Å; A124-C161 VanDerWaalsContact CB-SG 3.57Å
125	A	90.7	Very high	89.3	Confident	3 Å²	3	26.6 Å²	26.6	3%	0.025	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-44.1	175.5	0	0	0	0	0	112.6	G121 M122 R123 G128 A129 N167 L170 Y219	G121-A125 WeakPolarHBondContact O-CB 3.4Å; G121-A125 PolarHBondContact O-N 3.35Å; M122-A125 PolarHBondContact O-N 3.19Å; R123-A125 VanDerWaalsContact C-N 3.32Å; R123-A125 PolarHBondContact O-N 3.38Å; A125-G128 PolarHBondContact O-N 3.31Å; A125-A129 WeakPolarHBondContact O-CB 3.17Å; A125-A129 PolarHBondContact O-N 3.42Å; A125-N167 HydrophobicContact CB-CB 4.43Å; A125-L170 WeakPolarHBondContact O-CD2 3.42Å; A125-Y219 HydrophobicContact CB-CE1 4.02Å
126	K	92.4	Very high	90.2	Very high	32 Å²	32	25.1 Å²	25.1	14%	0.139	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-48.6	175.1	-75.3	176.4	177.8	-175.5	0	111.8	W32 L76 M122 R123 G128 A129 V130 Y219 F220	W32-K126 HydrophobicContact CH2-CD 3.84Å; W32-K126 VanDerWaalsContact CH2-CE 3.47Å; W32-K126 HydrophobicContact CZ3-CD 4.29Å; L76-K126 HydrophobicContact CD1-CB 4.45Å; M122-K126 WeakPolarHBondContact O-CG 3.16Å; M122-K126 PolarHBondContact O-N 3.25Å; R123-K126 PolarHBondContact O-N 2.83Å; K126-G128 VanDerWaalsContact C-N 3.33Å; K126-G128 PolarHBondContact O-N 3.39Å; K126-A129 PolarHBondContact O-N 3.3Å; K126-V130 PolarHBondContact O-N 3.15Å; K126-Y219 HydrophobicContact CG-CD1 4.35Å; K126-Y219 HydrophobicContact CG-CG 4.45Å; K126-F220 HydrophobicContact CB-CE1 4.26Å; K126-F220 HydrophobicContact CB-CZ 4.3Å; K126-F220 HydrophobicContact CG-CE1 4.38Å; K126-F220 WeakPolarHBondContact O-CZ 3.5Å
127	L	93	Very high	91.3	Very high	16 Å²	16	25.1 Å²	25.1	8%	0.084	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-43.3	176.8	-73.4	171.2	0	0	0	111.4	Y73 L76 K77 R123 A124 A129 V130 E131	Y73-L127 HydrophobicContact CD2-CD2 3.96Å; Y73-L127 HydrophobicContact CE2-CD2 3.91Å; L76-L127 HydrophobicContact CB-CD2 3.77Å; L76-L127 HydrophobicContact CD1-CD2 4.28Å; K77-L127 HydrophobicContact CG-CD2 4.16Å; R123-L127 HydrophobicContact CG-CD1 4.31Å; R123-L127 PolarHBondContact O-N 3.48Å; A124-L127 PolarHBondContact O-N 3.42Å; L127-A129 VanDerWaalsContact C-N 3.35Å; L127-A129 PolarHBondContact O-N 3.15Å; L127-V130 PolarHBondContact O-N 3.02Å; L127-E131 WeakPolarHBondContact O-CG 3.48Å; L127-E131 PolarHBondContact O-N 3.12Å; L127-E131 VanDerWaalsContact O-N 3.11Å
128	G	94.7	Very high	92.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-42.3	174.6	0	0	0	0	0	112.6	A124 A125 K126 V130 E131 Y132 C154	A124-G128 PolarHBondContact O-N 3.04Å; A125-G128 PolarHBondContact O-N 3.31Å; K126-G128 VanDerWaalsContact C-N 3.33Å; K126-G128 PolarHBondContact O-N 3.39Å; G128-V130 VanDerWaalsContact C-N 3.34Å; G128-V130 PolarHBondContact O-N 3.38Å; G128-E131 WeakPolarHBondContact O-CB 3.35Å; G128-E131 PolarHBondContact O-N 3.34Å; G128-Y132 PolarHBondContact O-N 3.14Å; G128-C154 WeakPolarHBondContact O-CB 3.36Å; G128-C154 PolarHBondContact O-SG 3.33Å
129	A	95.8	Very high	92.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.4	-40.9	177.5	0	0	0	0	0	112.2	A125 K126 L127 Y132 Y133 L170 Y219 F220	A125-A129 WeakPolarHBondContact O-CB 3.17Å; A125-A129 PolarHBondContact O-N 3.42Å; K126-A129 PolarHBondContact O-N 3.3Å; L127-A129 VanDerWaalsContact C-N 3.35Å; L127-A129 PolarHBondContact O-N 3.15Å; A129-Y132 WeakPolarHBondContact O-CB 3.47Å; A129-Y132 PolarHBondContact O-N 3.15Å; A129-Y133 WeakPolarHBondContact O-CD2 3.5Å; A129-Y133 PolarHBondContact O-N 3.19Å; A129-L170 HydrophobicContact CB-CD1 4.47Å; A129-L170 HydrophobicContact CB-CD2 4.1Å; A129-Y219 HydrophobicContact CB-CD2 3.49Å; A129-Y219 VanDerWaalsContact CB-CD2 3.49Å; A129-Y219 HydrophobicContact CB-CE2 3.92Å; A129-Y219 HydrophobicContact CB-CG 4.42Å; A129-F220 HydrophobicContact CB-CE2 3.87Å; A129-F220 HydrophobicContact CB-CZ 4.19Å
130	V	96.4	Very high	93.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.3	-43.6	175.8	-175.3	0	0	0	0	111.5	L69 I72 Y73 L76 K126 L127 G128 Y132 Y133 L134 F220	L69-V130 HydrophobicContact CB-CG1 4.32Å; L69-V130 VanDerWaalsContact O-CG1 3.29Å; L69-V130 WeakPolarHBondContact O-CG1 3.37Å; I72-V130 HydrophobicContact CG2-CG2 3.88Å; Y73-V130 HydrophobicContact CD2-CB 4.18Å; Y73-V130 HydrophobicContact CD2-CG1 4.16Å; Y73-V130 HydrophobicContact CG-CG1 4.5Å; L76-V130 HydrophobicContact CD1-CG2 3.75Å; K126-V130 PolarHBondContact O-N 3.15Å; L127-V130 PolarHBondContact O-N 3.02Å; G128-V130 VanDerWaalsContact C-N 3.34Å; G128-V130 PolarHBondContact O-N 3.38Å; V130-Y132 VanDerWaalsContact C-N 3.29Å; V130-Y132 PolarHBondContact O-N 3.06Å; V130-Y133 PolarHBondContact O-N 3.42Å; V130-L134 HydrophobicContact CG1-CD1 4.14Å; V130-L134 HydrophobicContact CG1-CG 4.45Å; V130-L134 WeakPolarHBondContact O-CG 3.32Å; V130-L134 PolarHBondContact O-N 2.6Å; V130-F220 HydrophobicContact CG2-CE1 4.11Å; V130-F220 HydrophobicContact CG2-CE2 4.14Å; V130-F220 HydrophobicContact CG2-CZ 3.48Å; V130-F220 VanDerWaalsContact CG2-CZ 3.48Å
131	E	97.6	Very high	93.8	Very high	11 Å²	11	17.5 Å²	17.5	5%	0.051	9%	0.086	C	C	.	.	H	α-helix	trans	-59.2	-40.5	174.3	-67.3	-76.5	-172.8	0	0	111.3	Y73 L127 G128 L134 G135 H150 N153 C154	Y73-E131 HydrophobicContact CD2-CG 4.45Å; Y73-E131 HydrophobicContact CE2-CG 3.78Å; Y73-E131 WeakPolarHBondContact CE2-OE1 2.98Å; Y73-E131 PolarHBondContact OH-OE1 3.27Å; L127-E131 WeakPolarHBondContact O-CG 3.48Å; L127-E131 PolarHBondContact O-N 3.12Å; L127-E131 VanDerWaalsContact O-N 3.11Å; G128-E131 WeakPolarHBondContact O-CB 3.35Å; G128-E131 PolarHBondContact O-N 3.34Å; E131-L134 PolarHBondContact O-N 2.97Å; E131-G135 PolarHBondContact O-N 2.9Å; E131-H150 IonicContact OE2-CE1 2.71Å; E131-H150 IonicContact OE2-CG 2.72Å; E131-H150 IonicContact OE2-ND1 3.64Å; E131-H150 PolarHBondContact OE2-ND1 2.87Å; E131-N153 HydrophobicContact CG-CB 4.37Å; E131-C154 HydrophobicContact CB-CB 3.88Å
132	Y	97.7	Very high	94.2	Very high	14 Å²	14	25 Å²	25	6%	0.055	12%	0.121	C	C	.	.	H	α-helix	trans	-58.8	-51.6	173.5	168.2	-93.2	0	0	0	111.9	G128 A129 V130 L134 G135 V136 L151 L170 H173 V174 Q177 M216	G128-Y132 PolarHBondContact O-N 3.14Å; A129-Y132 WeakPolarHBondContact O-CB 3.47Å; A129-Y132 PolarHBondContact O-N 3.15Å; V130-Y132 VanDerWaalsContact C-N 3.29Å; V130-Y132 PolarHBondContact O-N 3.06Å; Y132-L134 VanDerWaalsContact C-N 3.33Å; Y132-L134 PolarHBondContact O-N 2.83Å; Y132-G135 PolarHBondContact O-N 2.84Å; Y132-G135 VanDerWaalsContact O-N 3.14Å; Y132-V136 HydrophobicContact CD1-CG2 4.42Å; Y132-V136 HydrophobicContact CD2-CG2 4.31Å; Y132-V136 HydrophobicContact CE1-CG2 3.94Å; Y132-V136 HydrophobicContact CE2-CG2 3.84Å; Y132-V136 WeakPolarHBondContact O-CG2 3.46Å; Y132-V136 PolarHBondContact O-N 2.93Å; Y132-L151 HydrophobicContact CD2-CD2 3.95Å; Y132-L151 HydrophobicContact CE2-CD2 4.47Å; Y132-L170 HydrophobicContact CD1-CD1 4.41Å; Y132-L170 HydrophobicContact CD2-CD1 4.39Å; Y132-L170 HydrophobicContact CG-CD1 3.96Å; Y132-H173 HydrophobicContact CE2-CB 3.78Å; Y132-V174 HydrophobicContact CD2-CB 4.11Å; Y132-V174 HydrophobicContact CD2-CG2 4.45Å; Y132-Q177 HydrophobicContact CE2-CB 4.41Å; Y132-Q177 HydrophobicContact CE2-CG 3.61Å; Y132-M216 HydrophobicContact CD1-CE 4.27Å; Y132-M216 HydrophobicContact CD1-SD 4.03Å; Y132-M216 HydrophobicContact CE1-CE 3.54Å; Y132-M216 HydrophobicContact CE1-SD 3.85Å
133	Y	97.8	Very high	94.7	Very high	29 Å²	29	25.5 Å²	25.5	11%	0.114	12%	0.123	C	C	.	.	H	α-helix	trans	-65.3	-35.1	-179.9	-75.7	-68.7	0	0	0	112.7	F39 A129 V130 N137 M216	F39-Y133 AromaticContact CE2-CD2 3.62Å; F39-Y133 HydrophobicContact CE2-CD2 3.62Å; F39-Y133 AromaticContact CE2-CE2 3.56Å; F39-Y133 HydrophobicContact CE2-CE2 3.56Å; F39-Y133 HydrophobicContact CE2-CG 4.28Å; F39-Y133 HydrophobicContact CZ-CD2 4.02Å; F39-Y133 HydrophobicContact CZ-CE1 4.43Å; F39-Y133 AromaticContact CZ-CE2 3.45Å; F39-Y133 HydrophobicContact CZ-CE2 3.45Å; F39-Y133 VanDerWaalsContact CZ-CE2 3.45Å; F39-Y133 AromaticContact CZ-CZ 3.69Å; A129-Y133 WeakPolarHBondContact O-CD2 3.5Å; A129-Y133 PolarHBondContact O-N 3.19Å; V130-Y133 PolarHBondContact O-N 3.42Å; Y133-N137 VanDerWaalsContact O-CB 3.25Å; Y133-N137 WeakPolarHBondContact O-CB 3.35Å; Y133-N137 PolarHBondContact O-N 2.83Å; Y133-M216 HydrophobicContact CE2-CB 4.47Å
134	L	97.6	Very high	95.1	Very high	4 Å²	4	26 Å²	26	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-44.3	171	-75.6	170.5	0	0	0	111.3	R66 L69 R70 V130 E131 Y132 N137 H138 H150	R66-L134 HydrophobicContact CG-CD2 3.74Å; L69-L134 HydrophobicContact CB-CD2 3.61Å; L69-L134 HydrophobicContact CB-CG 3.96Å; L69-L134 HydrophobicContact CD1-CD2 4.2Å; L69-L134 HydrophobicContact CD1-CG 4.45Å; R70-L134 HydrophobicContact CG-CD1 4.47Å; R70-L134 HydrophobicContact CG-CD2 4.04Å; V130-L134 HydrophobicContact CG1-CD1 4.14Å; V130-L134 HydrophobicContact CG1-CG 4.45Å; V130-L134 WeakPolarHBondContact O-CG 3.32Å; V130-L134 PolarHBondContact O-N 2.6Å; E131-L134 PolarHBondContact O-N 2.97Å; Y132-L134 VanDerWaalsContact C-N 3.33Å; Y132-L134 PolarHBondContact O-N 2.83Å; L134-N137 PolarHBondContact O-N 3.36Å; L134-H138 PolarHBondContact O-CD2 2.98Å; L134-H138 VanDerWaalsContact O-CD2 3.29Å; L134-H138 PolarHBondContact O-N 3.46Å; L134-H150 HydrophobicContact CB-CB 4.38Å
135	G	97.5	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-51.1	177.6	0	0	0	0	0	112.3	E131 Y132 N137 H138 V139 G147	E131-G135 PolarHBondContact O-N 2.9Å; Y132-G135 PolarHBondContact O-N 2.84Å; Y132-G135 VanDerWaalsContact O-N 3.14Å; G135-N137 VanDerWaalsContact C-N 3.34Å; G135-N137 PolarHBondContact O-N 2.69Å; G135-H138 PolarHBondContact O-N 3.09Å; G135-V139 WeakPolarHBondContact O-CG2 3.43Å; G135-V139 PolarHBondContact O-N 2.88Å; G135-G147 WeakPolarHBondContact O-CA 3.35Å
136	V	96.6	Very high	95.6	Very high	25 Å²	25	31 Å²	31	15%	0.152	17%	0.166	C	C	.	.	H	α-helix	trans	-57.5	-47.2	175	173.6	0	0	0	0	110.8	Y132 H138 V139 D140 Q177	Y132-V136 HydrophobicContact CD1-CG2 4.42Å; Y132-V136 HydrophobicContact CD2-CG2 4.31Å; Y132-V136 HydrophobicContact CE1-CG2 3.94Å; Y132-V136 HydrophobicContact CE2-CG2 3.84Å; Y132-V136 WeakPolarHBondContact O-CG2 3.46Å; Y132-V136 PolarHBondContact O-N 2.93Å; V136-H138 VanDerWaalsContact C-N 3.32Å; V136-H138 PolarHBondContact O-N 3.28Å; V136-V139 PolarHBondContact O-N 2.81Å; V136-V139 VanDerWaalsContact O-N 3.17Å; V136-D140 WeakPolarHBondContact O-CB 3.26Å; V136-D140 PolarHBondContact O-N 2.71Å; V136-Q177 HydrophobicContact CG2-CG 3.79Å
137	N	97.3	Very high	95.8	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-58.3	-41	178.4	-177.5	-81.2	0	0	0	113	K62 R66 Y133 L134 G135 T141	K62-N137 PolarHBondContact O-ND2 3.46Å; R66-N137 PolarHBondContact NE-OD1 2.88Å; R66-N137 PolarHBondContact NH2-OD1 3.04Å; R66-N137 VanDerWaalsContact NH2-OD1 3.14Å; Y133-N137 VanDerWaalsContact O-CB 3.25Å; Y133-N137 WeakPolarHBondContact O-CB 3.35Å; Y133-N137 PolarHBondContact O-N 2.83Å; L134-N137 PolarHBondContact O-N 3.36Å; G135-N137 VanDerWaalsContact C-N 3.34Å; G135-N137 PolarHBondContact O-N 2.69Å; N137-T141 WeakPolarHBondContact O-CG2 3.49Å; N137-T141 PolarHBondContact O-N 2.8Å; N137-T141 PolarHBondContact O-OG1 3.2Å
138	H	97.2	Very high	96	Very high	5 Å²	5	30.9 Å²	30.9	2%	0.023	17%	0.165	C	C	.	.	H	α-helix	trans	-67.3	-41.7	175.5	-87.4	-74.9	0	0	0	112.3	R66 L134 G135 V136 D140 T141 E142 E143 A146 G147 H150	R66-H138 PolarHBondContact NH1-CE1 3.12Å; R66-H138 PolarHBondContact NH1-ND1 3.18Å; L134-H138 PolarHBondContact O-CD2 2.98Å; L134-H138 VanDerWaalsContact O-CD2 3.29Å; L134-H138 PolarHBondContact O-N 3.46Å; G135-H138 PolarHBondContact O-N 3.09Å; V136-H138 VanDerWaalsContact C-N 3.32Å; V136-H138 PolarHBondContact O-N 3.28Å; H138-D140 VanDerWaalsContact C-N 3.34Å; H138-D140 PolarHBondContact O-N 3.48Å; H138-T141 WeakPolarHBondContact CA-OG1 3.44Å; H138-T141 CarbonylContact O-C 3.59Å; H138-T141 PolarHBondContact O-N 3.14Å; H138-T141 PolarHBondContact O-OG1 3.02Å; H138-T141 VanDerWaalsContact O-OG1 3.04Å; H138-E142 PolarHBondContact O-N 3.4Å; H138-E143 HydrophobicContact CB-CB 4.28Å; H138-E143 IonicContact CE1-OE2 3.46Å; H138-E143 PolarHBondContact CE1-OE2 3.16Å; H138-E143 IonicContact ND1-OE1 3.63Å; H138-E143 IonicContact ND1-OE2 2.67Å; H138-E143 PolarHBondContact ND1-OE2 3.49Å; H138-E143 CarbonylContact O-C 3.51Å; H138-E143 WeakPolarHBondContact O-CA 3.47Å; H138-E143 PolarHBondContact O-N 3.19Å; H138-A146 HydrophobicContact CB-CB 4.34Å; H138-G147 VanDerWaalsContact CB-CA 3.49Å; H138-H150 AromaticContact CD2-CD2 3.5Å; H138-H150 PolarHBondContact CD2-CD2 3.45Å; H138-H150 VanDerWaalsContact CD2-CD2 3.5Å; H138-H150 AromaticContact CD2-NE2 3.88Å; H138-H150 AromaticContact NE2-CD2 3.9Å; H138-H150 AromaticContact NE2-NE2 3.8Å
139	V	94.9	Very high	96.1	Very high	27 Å²	27	36.8 Å²	36.8	16%	0.164	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-46.3	174.3	173.6	0	0	0	0	110.9	G135 V136 T141 E142 L144 L151 L181	G135-V139 WeakPolarHBondContact O-CG2 3.43Å; G135-V139 PolarHBondContact O-N 2.88Å; V136-V139 PolarHBondContact O-N 2.81Å; V136-V139 VanDerWaalsContact O-N 3.17Å; V139-T141 PolarHBondContact O-N 2.86Å; V139-T141 VanDerWaalsContact O-N 3.13Å; V139-E142 PolarHBondContact O-N 3.49Å; V139-L144 HydrophobicContact CG1-CD2 4.14Å; V139-L151 HydrophobicContact CG2-CD1 4.36Å; V139-L181 HydrophobicContact CG2-CD1 3.78Å
140	D	93.8	Very high	96.2	Very high	63 Å²	63	38.5 Å²	38.5	34%	0.337	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.8	178.7	-97	28.3	0	0	0	115.4	F59 K62 V136 H138	F59-D140 WeakPolarHBondContact CE1-O 3.5Å; K62-D140 HydrophobicContact CD-CB 4.11Å; K62-D140 VanDerWaalsContact NZ-CB 3.32Å; K62-D140 VanDerWaalsContact NZ-CG 3.35Å; K62-D140 PolarHBondContact NZ-O 3.46Å; K62-D140 IonicContact NZ-OD2 3.5Å; K62-D140 PolarHBondContact NZ-OD2 3.49Å; V136-D140 WeakPolarHBondContact O-CB 3.26Å; V136-D140 PolarHBondContact O-N 2.71Å; H138-D140 VanDerWaalsContact C-N 3.34Å; H138-D140 PolarHBondContact O-N 3.48Å
141	T	94.4	Very high	96.3	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.043	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	17.8	177.7	50	0	0	0	0	111.3	F59 K62 Y63 R66 N137 H138 V139 E143	F59-T141 HydrophobicContact CB-CG2 3.85Å; F59-T141 HydrophobicContact CD1-CG2 3.97Å; F59-T141 HydrophobicContact CD2-CG2 4.44Å; F59-T141 HydrophobicContact CG-CG2 3.84Å; K62-T141 HydrophobicContact CB-CG2 3.97Å; K62-T141 HydrophobicContact CD-CG2 4.03Å; Y63-T141 HydrophobicContact CE1-CG2 4.21Å; R66-T141 PolarHBondContact NH2-OG1 2.83Å; N137-T141 WeakPolarHBondContact O-CG2 3.49Å; N137-T141 PolarHBondContact O-N 2.8Å; N137-T141 PolarHBondContact O-OG1 3.2Å; H138-T141 WeakPolarHBondContact CA-OG1 3.44Å; H138-T141 CarbonylContact O-C 3.59Å; H138-T141 PolarHBondContact O-N 3.14Å; H138-T141 PolarHBondContact O-OG1 3.02Å; H138-T141 VanDerWaalsContact O-OG1 3.04Å; V139-T141 PolarHBondContact O-N 2.86Å; V139-T141 VanDerWaalsContact O-N 3.13Å; T141-E143 PolarHBondContact O-N 3.26Å; T141-E143 VanDerWaalsContact O-N 3.16Å; T141-E143 PolarHBondContact OG1-OE1 3.17Å
142	E	92.9	Very high	96.2	Very high	157 Å²	157	40.3 Å²	40.3	73%	0.734	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	12.2	177	-52.5	-177.3	174.9	0	0	114.6	H138 V139 L144	H138-E142 PolarHBondContact O-N 3.4Å; V139-E142 PolarHBondContact O-N 3.49Å; E142-L144 VanDerWaalsContact C-N 3.26Å; E142-L144 PolarHBondContact O-N 3.22Å; E142-L144 VanDerWaalsContact O-N 3.09Å
143	E	95.3	Very high	96.1	Very high	71 Å²	71	41.2 Å²	41.2	33%	0.332	22%	0.216	S	C	.	.			trans	-87.5	58.1	175.1	-65.3	178	-105.5	0	0	111.2	R66 H138 T141 S145 A146 G147	R66-E143 IonicContact CZ-OE1 3.77Å; R66-E143 IonicContact NH1-OE1 2.98Å; R66-E143 PolarHBondContact NH1-OE1 3.13Å; R66-E143 IonicContact NH1-OE2 2.71Å; R66-E143 PolarHBondContact NH1-OE2 2.98Å; R66-E143 IonicContact NH2-OE1 3.9Å; R66-E143 PolarHBondContact NH2-OE1 3.29Å; H138-E143 HydrophobicContact CB-CB 4.28Å; H138-E143 IonicContact CE1-OE2 3.46Å; H138-E143 PolarHBondContact CE1-OE2 3.16Å; H138-E143 IonicContact ND1-OE1 3.63Å; H138-E143 IonicContact ND1-OE2 2.67Å; H138-E143 PolarHBondContact ND1-OE2 3.49Å; H138-E143 CarbonylContact O-C 3.51Å; H138-E143 WeakPolarHBondContact O-CA 3.47Å; H138-E143 PolarHBondContact O-N 3.19Å; T141-E143 PolarHBondContact O-N 3.26Å; T141-E143 VanDerWaalsContact O-N 3.16Å; T141-E143 PolarHBondContact OG1-OE1 3.17Å; E143-S145 VanDerWaalsContact C-N 3.29Å; E143-S145 PolarHBondContact O-N 3.27Å; E143-S145 VanDerWaalsContact O-N 3.12Å; E143-A146 PolarHBondContact O-N 3.26Å; E143-G147 PolarHBondContact O-N 3.45Å
144	L	94.8	Very high	96	Very high	71 Å²	71	39.9 Å²	39.9	37%	0.372	21%	0.21	S	C	.	.	H	α-helix	trans	-56.9	-34.5	-166.6	-56	-178	0	0	0	114.7	V139 E142 G147 Q148 R185	V139-L144 HydrophobicContact CG1-CD2 4.14Å; E142-L144 VanDerWaalsContact C-N 3.26Å; E142-L144 PolarHBondContact O-N 3.22Å; E142-L144 VanDerWaalsContact O-N 3.09Å; L144-G147 PolarHBondContact O-N 3.33Å; L144-Q148 WeakPolarHBondContact O-CB 3.27Å; L144-Q148 PolarHBondContact O-N 2.99Å; L144-R185 PolarHBondContact O-NH2 3.22Å
145	S	94.6	Very high	95.8	Very high	90 Å²	90	40.2 Å²	40.2	63%	0.629	21%	0.212	S	C	*	.	H	α-helix	trans	-69.7	-45	-179	-62.1	0	0	0	0	112	E143 G147 Q148 E149	E143-S145 VanDerWaalsContact C-N 3.29Å; E143-S145 PolarHBondContact O-N 3.27Å; E143-S145 VanDerWaalsContact O-N 3.12Å; S145-G147 VanDerWaalsContact C-N 3.31Å; S145-Q148 PolarHBondContact O-N 2.97Å; S145-E149 PolarHBondContact O-N 3.34Å
146	A	96.2	Very high	95.6	Very high	27 Å²	27	45.3 Å²	45.3	22%	0.223	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-37.6	174.7	0	0	0	0	0	110.9	H138 E143 E149 H150	H138-A146 HydrophobicContact CB-CB 4.34Å; E143-A146 PolarHBondContact O-N 3.26Å; A146-E149 PolarHBondContact O-N 3.34Å; A146-H150 PolarHBondContact O-CD2 3.43Å; A146-H150 VanDerWaalsContact O-CD2 3.27Å; A146-H150 PolarHBondContact O-N 3.43Å
147	G	96.6	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-49.8	173.6	0	0	0	0	0	112.4	G135 H138 E143 L144 S145 E149 H150 L151	G135-G147 WeakPolarHBondContact O-CA 3.35Å; H138-G147 VanDerWaalsContact CB-CA 3.49Å; E143-G147 PolarHBondContact O-N 3.45Å; L144-G147 PolarHBondContact O-N 3.33Å; S145-G147 VanDerWaalsContact C-N 3.31Å; G147-E149 PolarHBondContact O-N 2.9Å; G147-H150 PolarHBondContact O-N 3.47Å; G147-L151 VanDerWaalsContact O-CG 3.27Å; G147-L151 WeakPolarHBondContact O-CG 3.4Å; G147-L151 PolarHBondContact O-N 3.14Å
148	Q	96.5	Very high	94.9	Very high	45 Å²	45	45.9 Å²	45.9	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-58.5	-45	175.2	-177.8	-167.6	-24.9	0	0	112	L144 S145 H150 L151 M152 L181	L144-Q148 WeakPolarHBondContact O-CB 3.27Å; L144-Q148 PolarHBondContact O-N 2.99Å; S145-Q148 PolarHBondContact O-N 2.97Å; Q148-H150 PolarHBondContact O-N 2.92Å; Q148-L151 PolarHBondContact O-N 3.42Å; Q148-M152 HydrophobicContact CG-CG 4.25Å; Q148-M152 WeakPolarHBondContact O-CB 3.37Å; Q148-M152 VanDerWaalsContact O-CG 3.25Å; Q148-M152 WeakPolarHBondContact O-CG 3.46Å; Q148-M152 PolarHBondContact O-N 3.01Å; Q148-L181 HydrophobicContact CB-CD1 3.85Å; Q148-L181 HydrophobicContact CB-CD2 4.31Å; Q148-L181 HydrophobicContact CG-CD2 4.49Å
149	E	97.1	Very high	94.5	Very high	124 Å²	124	51.5 Å²	51.5	58%	0.579	26%	0.262	S	S	*	.	H	α-helix	trans	-58.9	-48.6	-179.5	-174.5	-179.7	176.7	0	0	111.6	S145 A146 G147 M152 N153	S145-E149 PolarHBondContact O-N 3.34Å; A146-E149 PolarHBondContact O-N 3.34Å; G147-E149 PolarHBondContact O-N 2.9Å; E149-M152 PolarHBondContact O-N 3.13Å; E149-N153 WeakPolarHBondContact O-CB 3.37Å; E149-N153 PolarHBondContact O-N 3.34Å; E149-N153 PolarHBondContact O-ND2 3.07Å
150	H	97.9	Very high	94.1	Very high	35 Å²	35	55.3 Å²	55.3	16%	0.162	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-43.7	176.8	-80.8	-63.7	0	0	0	112.5	E131 L134 H138 A146 G147 Q148 M152 N153 C154	E131-H150 IonicContact OE2-CE1 2.71Å; E131-H150 IonicContact OE2-CG 2.72Å; E131-H150 IonicContact OE2-ND1 3.64Å; E131-H150 PolarHBondContact OE2-ND1 2.87Å; L134-H150 HydrophobicContact CB-CB 4.38Å; H138-H150 AromaticContact CD2-CD2 3.5Å; H138-H150 PolarHBondContact CD2-CD2 3.45Å; H138-H150 VanDerWaalsContact CD2-CD2 3.5Å; H138-H150 AromaticContact CD2-NE2 3.88Å; H138-H150 AromaticContact NE2-CD2 3.9Å; H138-H150 AromaticContact NE2-NE2 3.8Å; A146-H150 PolarHBondContact O-CD2 3.43Å; A146-H150 VanDerWaalsContact O-CD2 3.27Å; A146-H150 PolarHBondContact O-N 3.43Å; G147-H150 PolarHBondContact O-N 3.47Å; Q148-H150 PolarHBondContact O-N 2.92Å; H150-M152 PolarHBondContact O-N 2.93Å; H150-N153 PolarHBondContact O-N 3.44Å; H150-N153 VanDerWaalsContact O-N 3.17Å; H150-C154 PolarHBondContact O-N 3.4Å
151	L	97.7	Very high	93.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-39.6	176.2	-68.5	171.5	0	0	0	112.2	Y132 V139 G147 Q148 N153 C154 M155 V174 Q177 L178 L181	Y132-L151 HydrophobicContact CD2-CD2 3.95Å; Y132-L151 HydrophobicContact CE2-CD2 4.47Å; V139-L151 HydrophobicContact CG2-CD1 4.36Å; G147-L151 VanDerWaalsContact O-CG 3.27Å; G147-L151 WeakPolarHBondContact O-CG 3.4Å; G147-L151 PolarHBondContact O-N 3.14Å; Q148-L151 PolarHBondContact O-N 3.42Å; L151-N153 VanDerWaalsContact C-N 3.35Å; L151-C154 WeakPolarHBondContact O-CB 3.49Å; L151-C154 PolarHBondContact O-N 2.91Å; L151-M155 PolarHBondContact O-N 2.96Å; L151-M155 VanDerWaalsContact O-N 3.11Å; L151-V174 HydrophobicContact CB-CG2 4.26Å; L151-V174 HydrophobicContact CD2-CG2 4.11Å; L151-V174 WeakPolarHBondContact O-CG2 3.42Å; L151-Q177 HydrophobicContact CD1-CB 3.82Å; L151-Q177 HydrophobicContact CD2-CB 3.92Å; L151-L178 HydrophobicContact CB-CD2 3.68Å; L151-L178 HydrophobicContact CB-CG 3.97Å; L151-L178 HydrophobicContact CD1-CD2 4.15Å; L151-L178 HydrophobicContact CD1-CG 4.37Å; L151-L181 HydrophobicContact CD1-CD1 4.29Å
152	M	96.4	Very high	93.5	Very high	50 Å²	50	57.3 Å²	57.3	25%	0.246	28%	0.279	C	S	.	.	H	α-helix	trans	-68.5	-33.6	174.3	-70.1	-66.4	-81.4	0	0	111.9	V102 Q148 E149 H150 M155 K156 L178 F194	V102-M152 HydrophobicContact CG1-CE 3.94Å; Q148-M152 HydrophobicContact CG-CG 4.25Å; Q148-M152 WeakPolarHBondContact O-CB 3.37Å; Q148-M152 VanDerWaalsContact O-CG 3.25Å; Q148-M152 WeakPolarHBondContact O-CG 3.46Å; Q148-M152 PolarHBondContact O-N 3.01Å; E149-M152 PolarHBondContact O-N 3.13Å; H150-M152 PolarHBondContact O-N 2.93Å; M152-M155 WeakPolarHBondContact O-CB 3.44Å; M152-M155 PolarHBondContact O-N 2.86Å; M152-K156 WeakPolarHBondContact O-CG 3.41Å; M152-K156 PolarHBondContact O-N 3.33Å; M152-L178 HydrophobicContact CG-CD2 4.22Å; M152-L178 HydrophobicContact SD-CD1 3.98Å; M152-L178 HydrophobicContact SD-CD2 4.13Å; M152-F194 HydrophobicContact SD-CZ 4.33Å
153	N	94.9	Very high	93.3	Very high	33 Å²	33	50.1 Å²	50.1	18%	0.176	25%	0.246	C	C	.	.	H	α-helix	trans	-68.4	-35.9	173.1	-70.3	-23.1	0	0	0	112.1	E131 E149 H150 L151 M155 K156 M157	E131-N153 HydrophobicContact CG-CB 4.37Å; E149-N153 WeakPolarHBondContact O-CB 3.37Å; E149-N153 PolarHBondContact O-N 3.34Å; E149-N153 PolarHBondContact O-ND2 3.07Å; H150-N153 PolarHBondContact O-N 3.44Å; H150-N153 VanDerWaalsContact O-N 3.17Å; L151-N153 VanDerWaalsContact C-N 3.35Å; N153-M155 VanDerWaalsContact C-N 3.34Å; N153-K156 PolarHBondContact O-N 2.97Å; N153-K156 PolarHBondContact OD1-NZ 3.06Å; N153-K156 VanDerWaalsContact OD1-NZ 3.08Å; N153-M157 WeakPolarHBondContact O-CG 3.25Å; N153-M157 PolarHBondContact O-N 3.4Å; N153-M157 VanDerWaalsContact O-N 3.12Å
154	C	96.4	Very high	93.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.2	-47.6	168.5	173.9	0	0	0	0	111.1	G128 E131 H150 L151 K156 M157 L158 V174	G128-C154 WeakPolarHBondContact O-CB 3.36Å; G128-C154 PolarHBondContact O-SG 3.33Å; E131-C154 HydrophobicContact CB-CB 3.88Å; H150-C154 PolarHBondContact O-N 3.4Å; L151-C154 WeakPolarHBondContact O-CB 3.49Å; L151-C154 PolarHBondContact O-N 2.91Å; C154-K156 PolarHBondContact O-N 3.45Å; C154-M157 PolarHBondContact O-N 3.33Å; C154-M157 VanDerWaalsContact O-N 3.12Å; C154-L158 WeakPolarHBondContact O-CG 3.31Å; C154-L158 PolarHBondContact O-N 3.48Å; C154-V174 HydrophobicContact CB-CG2 3.96Å
155	M	93.9	Very high	93	Very high	11 Å²	11	44.8 Å²	44.8	5%	0.054	22%	0.222	C	C	.	.	H	α-helix	trans	-57.8	-45.9	176.4	-77.7	-74.5	-66.5	0	0	112.5	L151 M152 N153 M157 L158 E159 V174 R175 L178	L151-M155 PolarHBondContact O-N 2.96Å; L151-M155 VanDerWaalsContact O-N 3.11Å; M152-M155 WeakPolarHBondContact O-CB 3.44Å; M152-M155 PolarHBondContact O-N 2.86Å; N153-M155 VanDerWaalsContact C-N 3.34Å; M155-M157 PolarHBondContact O-N 3.46Å; M155-L158 CarbonylContact O-C 3.58Å; M155-L158 WeakPolarHBondContact O-CA 3.27Å; M155-L158 WeakPolarHBondContact O-CB 3.46Å; M155-L158 PolarHBondContact O-N 2.9Å; M155-E159 WeakPolarHBondContact O-CG 3.38Å; M155-E159 PolarHBondContact O-N 3.21Å; M155-V174 HydrophobicContact CG-CG1 3.98Å; M155-V174 HydrophobicContact CG-CG2 3.94Å; M155-V174 HydrophobicContact SD-CG1 3.5Å; M155-V174 WeakPolarHBondContact SD-CG1 3.42Å; M155-R175 HydrophobicContact SD-CG 4.31Å; M155-R175 PolarHBondContact SD-NH1 2.96Å; M155-R175 VanDerWaalsContact SD-NH1 3.42Å; M155-L178 HydrophobicContact CG-CD1 3.92Å
156	K	92.4	Very high	92.9	Very high	107 Å²	107	42.3 Å²	42.3	47%	0.465	20%	0.2	S	C	.	.	H	α-helix	trans	-59.4	-32.5	175.6	-68.6	172.5	-168.4	162.4	0	113.4	M152 N153 C154	M152-K156 WeakPolarHBondContact O-CG 3.41Å; M152-K156 PolarHBondContact O-N 3.33Å; N153-K156 PolarHBondContact O-N 2.97Å; N153-K156 PolarHBondContact OD1-NZ 3.06Å; N153-K156 VanDerWaalsContact OD1-NZ 3.08Å; C154-K156 PolarHBondContact O-N 3.45Å
157	M	90.4	Very high	92.8	Very high	39 Å²	39	41 Å²	41	19%	0.192	19%	0.19	C	C	.	.	H	α-helix	trans	-72.4	-41	174.3	-66.7	-54.9	104.1	0	0	111	N153 C154 M155 K160	N153-M157 WeakPolarHBondContact O-CG 3.25Å; N153-M157 PolarHBondContact O-N 3.4Å; N153-M157 VanDerWaalsContact O-N 3.12Å; C154-M157 PolarHBondContact O-N 3.33Å; C154-M157 VanDerWaalsContact O-N 3.12Å; M155-M157 PolarHBondContact O-N 3.46Å; M157-K160 WeakPolarHBondContact O-CB 3.3Å; M157-K160 PolarHBondContact O-N 3.27Å
158	L	89.5	Confident	92.7	Very high	1 Å²	1	41 Å²	41	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-67.9	-32.3	178.6	-73.1	-180	0	0	0	113.8	C154 M155 K160 C161 L170 F171 V174	C154-L158 WeakPolarHBondContact O-CG 3.31Å; C154-L158 PolarHBondContact O-N 3.48Å; M155-L158 CarbonylContact O-C 3.58Å; M155-L158 WeakPolarHBondContact O-CA 3.27Å; M155-L158 WeakPolarHBondContact O-CB 3.46Å; M155-L158 PolarHBondContact O-N 2.9Å; L158-K160 PolarHBondContact O-N 3.43Å; L158-K160 VanDerWaalsContact O-N 3.1Å; L158-C161 WeakPolarHBondContact O-CA 3.33Å; L158-C161 WeakPolarHBondContact O-CB 3.45Å; L158-C161 PolarHBondContact O-N 2.8Å; L158-L170 HydrophobicContact CD1-CD2 4.46Å; L158-L170 HydrophobicContact CD1-CG 4.09Å; L158-L170 HydrophobicContact CD2-CD2 3.81Å; L158-L170 HydrophobicContact CD2-CG 4.2Å; L158-L170 HydrophobicContact CG-CD2 4.36Å; L158-F171 HydrophobicContact CB-CD1 4.41Å; L158-F171 HydrophobicContact CB-CE1 3.85Å; L158-F171 HydrophobicContact CB-CE2 4.16Å; L158-F171 HydrophobicContact CB-CZ 3.72Å; L158-F171 HydrophobicContact CD1-CD1 4.12Å; L158-F171 HydrophobicContact CD1-CD2 4.22Å; L158-F171 HydrophobicContact CD1-CE1 4.37Å; L158-F171 HydrophobicContact CD1-CE2 4.48Å; L158-F171 HydrophobicContact CD1-CG 4.02Å; L158-F171 HydrophobicContact CD2-CD2 4.06Å; L158-F171 HydrophobicContact CD2-CE2 3.84Å; L158-F171 HydrophobicContact CD2-CZ 4.28Å; L158-F171 HydrophobicContact CG-CE2 4.4Å; L158-F171 HydrophobicContact CG-CZ 4.43Å; L158-F171 WeakPolarHBondContact O-CZ 3.48Å; L158-V174 HydrophobicContact CD1-CG1 3.94Å
159	E	87.8	Confident	92.7	Very high	124 Å²	124	39.1 Å²	39.1	58%	0.579	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.3	175.7	-77.2	169	-175.5	0	0	113.2	M155 C161	M155-E159 WeakPolarHBondContact O-CG 3.38Å; M155-E159 PolarHBondContact O-N 3.21Å; E159-C161 VanDerWaalsContact C-N 3.26Å
160	K	86.4	Confident	92.6	Very high	106 Å²	106	33.2 Å²	33.2	46%	0.461	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-16.8	174.6	-56.6	177.8	-177.6	-179.7	0	112.3	G113 F114 M157 L158	G113-K160 CarbonylContact C-O 3.6Å; G113-K160 WeakPolarHBondContact CA-O 3.43Å; F114-K160 HydrophobicContact CD2-CB 4.15Å; F114-K160 WeakPolarHBondContact CD2-O 3.49Å; F114-K160 HydrophobicContact CE2-CB 4.3Å; F114-K160 PolarHBondContact N-O 3.45Å; M157-K160 WeakPolarHBondContact O-CB 3.3Å; M157-K160 PolarHBondContact O-N 3.27Å; L158-K160 PolarHBondContact O-N 3.43Å; L158-K160 VanDerWaalsContact O-N 3.1Å
161	C	87.1	Confident	92.5	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-105.3	140	-175.9	-63.3	0	0	0	0	110.8	G121 A124 L158 E159	G121-C161 PolarHBondContact O-SG 3.39Å; A124-C161 VanDerWaalsContact CB-SG 3.57Å; L158-C161 WeakPolarHBondContact O-CA 3.33Å; L158-C161 WeakPolarHBondContact O-CB 3.45Å; L158-C161 PolarHBondContact O-N 2.8Å; E159-C161 VanDerWaalsContact C-N 3.26Å
162	R	88.5	Confident	92.5	Very high	111 Å²	111	31.8 Å²	31.8	42%	0.419	15%	0.147	S	C	.	.			trans	-70	139.9	163.2	-175.4	-173.8	177	-177.2	5.1	109.2	F110 F114 S164 N167	F110-R162 VanDerWaalsContact O-CZ 3.24Å; F110-R162 PolarHBondContact O-NE 3.03Å; F110-R162 PolarHBondContact O-NH2 3.24Å; F110-R162 VanDerWaalsContact O-NH2 3.11Å; F114-R162 PolarHBondContact O-N 3.48Å; R162-S164 PolarHBondContact O-N 2.94Å; R162-N167 PolarHBondContact O-ND2 3.48Å; R162-N167 PolarHBondContact O-OD1 3.35Å
163	V	90	Very high	92.5	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.036	14%	0.143	C	C	.	.			trans	-62.1	122.8	170.9	-178.5	0	0	0	0	110.2	A109 F110 N167 V168 F171 I201	A109-V163 HydrophobicContact CB-CG2 4.13Å; A109-V163 PolarHBondContact O-N 3.45Å; F110-V163 HydrophobicContact CD1-CB 3.89Å; F110-V163 HydrophobicContact CD1-CG1 4.18Å; F110-V163 HydrophobicContact CD2-CB 4.16Å; F110-V163 HydrophobicContact CD2-CG2 4.19Å; F110-V163 HydrophobicContact CE1-CB 3.81Å; F110-V163 HydrophobicContact CE1-CG1 3.57Å; F110-V163 HydrophobicContact CE2-CB 4.08Å; F110-V163 HydrophobicContact CE2-CG1 4.14Å; F110-V163 HydrophobicContact CE2-CG2 4.08Å; F110-V163 HydrophobicContact CG-CB 4.07Å; F110-V163 HydrophobicContact CZ-CB 3.91Å; F110-V163 HydrophobicContact CZ-CG1 3.55Å; F110-V163 HydrophobicContact CZ-CG2 4.34Å; V163-N167 WeakPolarHBondContact CA-OD1 3.07Å; V163-V168 HydrophobicContact CG1-CB 3.94Å; V163-V168 HydrophobicContact CG1-CG2 3.85Å; V163-F171 HydrophobicContact CB-CE2 4.47Å; V163-F171 HydrophobicContact CG2-CD1 4.03Å; V163-F171 HydrophobicContact CG2-CD2 3.99Å; V163-F171 HydrophobicContact CG2-CE1 3.87Å; V163-F171 HydrophobicContact CG2-CE2 3.79Å; V163-F171 HydrophobicContact CG2-CG 4.12Å; V163-F171 HydrophobicContact CG2-CZ 3.74Å; V163-I201 HydrophobicContact CG1-CG2 4.19Å
164	S	91.3	Very high	92.6	Very high	20 Å²	20	29.5 Å²	29.5	14%	0.14	14%	0.135	C	C	.	.			trans	-149.5	177.9	-179.9	72.4	0	0	0	0	112	G116 R162 E166 N167 V168	G116-S164 WeakPolarHBondContact CA-OG 3.42Å; R162-S164 PolarHBondContact O-N 2.94Å; S164-E166 VanDerWaalsContact CB-OE2 3.28Å; S164-E166 WeakPolarHBondContact CB-OE2 3.47Å; S164-E166 PolarHBondContact O-N 3.35Å; S164-E166 PolarHBondContact OG-OE2 3.03Å; S164-N167 PolarHBondContact N-OD1 3.26Å; S164-N167 PolarHBondContact O-N 3.3Å; S164-N167 VanDerWaalsContact O-N 3.15Å; S164-N167 PolarHBondContact O-OD1 3.06Å; S164-V168 WeakPolarHBondContact O-CB 3.33Å; S164-V168 WeakPolarHBondContact O-CG1 3.2Å; S164-V168 PolarHBondContact O-N 3.17Å
165	S	92.3	Very high	92.7	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.063	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-27.5	177.5	38	0	0	0	0	113.6	Y205 R211 P213 T214	S165-Y205 WeakPolarHBondContact CA-OH 3.44Å; S165-Y205 WeakPolarHBondContact CB-OH 3.44Å; S165-R211 PolarHBondContact OG-NH2 3.44Å; S165-P213 CarbonylContact O-C 3.52Å; S165-P213 VanDerWaalsContact O-CA 3.27Å; S165-P213 WeakPolarHBondContact O-CA 3.29Å; S165-P213 WeakPolarHBondContact O-CB 3.43Å; S165-T214 PolarHBondContact O-N 3.34Å
166	E	91.9	Very high	92.8	Very high	39 Å²	39	29.8 Å²	29.8	18%	0.182	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-20.1	-175.1	-62.7	66.5	-138.1	0	0	113.3	M122 S164 Y219	M122-E166 HydrophobicContact CE-CB 4.4Å; M122-E166 HydrophobicContact CE-CG 4.25Å; S164-E166 VanDerWaalsContact CB-OE2 3.28Å; S164-E166 WeakPolarHBondContact CB-OE2 3.47Å; S164-E166 PolarHBondContact O-N 3.35Å; S164-E166 PolarHBondContact OG-OE2 3.03Å; E166-Y219 WeakPolarHBondContact O-CE1 3.33Å; E166-Y219 PolarHBondContact O-OH 2.82Å
167	N	92.9	Very high	93.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.9	-11.3	-170.3	63.8	27.2	0	0	0	115.8	A125 R162 V163 S164 S169 L170 F171 Y219	A125-N167 HydrophobicContact CB-CB 4.43Å; R162-N167 PolarHBondContact O-ND2 3.48Å; R162-N167 PolarHBondContact O-OD1 3.35Å; V163-N167 WeakPolarHBondContact CA-OD1 3.07Å; S164-N167 PolarHBondContact N-OD1 3.26Å; S164-N167 PolarHBondContact O-N 3.3Å; S164-N167 VanDerWaalsContact O-N 3.15Å; S164-N167 PolarHBondContact O-OD1 3.06Å; N167-S169 PolarHBondContact O-N 3.48Å; N167-S169 VanDerWaalsContact O-N 3.14Å; N167-L170 WeakPolarHBondContact O-CB 3.36Å; N167-L170 PolarHBondContact O-N 3.33Å; N167-F171 HydrophobicContact CB-CD2 4.34Å; N167-F171 HydrophobicContact CB-CE2 4.34Å; N167-F171 WeakPolarHBondContact O-CD2 3.37Å; N167-F171 PolarHBondContact O-N 3.16Å; N167-F171 VanDerWaalsContact O-N 3.15Å; N167-Y219 WeakPolarHBondContact CA-OH 3.41Å
168	V	95.3	Very high	93.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-55.8	-34.8	-177.6	64.9	0	0	0	0	113.1	V163 S164 L170 F171 I172 I201 Y205 P213 F236	V163-V168 HydrophobicContact CG1-CB 3.94Å; V163-V168 HydrophobicContact CG1-CG2 3.85Å; S164-V168 WeakPolarHBondContact O-CB 3.33Å; S164-V168 WeakPolarHBondContact O-CG1 3.2Å; S164-V168 PolarHBondContact O-N 3.17Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-L170 PolarHBondContact O-N 3.45Å; V168-F171 WeakPolarHBondContact O-CB 3.39Å; V168-F171 PolarHBondContact O-N 3.2Å; V168-I172 HydrophobicContact CG2-CD1 4.5Å; V168-I172 PolarHBondContact O-N 3.03Å; V168-I172 VanDerWaalsContact O-N 3.15Å; V168-I201 HydrophobicContact CG2-CG2 3.78Å; V168-Y205 HydrophobicContact CB-CD2 4.23Å; V168-Y205 HydrophobicContact CB-CG 4.38Å; V168-Y205 HydrophobicContact CG1-CD1 4.12Å; V168-Y205 HydrophobicContact CG1-CD2 4.08Å; V168-Y205 HydrophobicContact CG1-CE1 4.01Å; V168-Y205 HydrophobicContact CG1-CE2 3.99Å; V168-Y205 HydrophobicContact CG1-CG 4.16Å; V168-Y205 HydrophobicContact CG2-CD1 4.35Å; V168-Y205 HydrophobicContact CG2-CD2 4.13Å; V168-Y205 HydrophobicContact CG2-CG 3.87Å; V168-P213 HydrophobicContact CG1-CB 3.4Å; V168-P213 VanDerWaalsContact CG1-CB 3.4Å; V168-P213 HydrophobicContact CG1-CG 4.1Å; V168-F236 HydrophobicContact CG1-CE2 3.91Å; V168-F236 HydrophobicContact CG1-CZ 4.23Å; V168-F236 HydrophobicContact CG2-CE2 4.13Å; V168-F236 HydrophobicContact CG2-CZ 4.15Å
169	S	95.7	Very high	93.7	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.028	11%	0.11	C	C	.	.	H	α-helix	trans	-58.1	-46.7	174.6	-54.6	0	0	0	0	111.4	N167 I172 H173 T214	N167-S169 PolarHBondContact O-N 3.48Å; N167-S169 VanDerWaalsContact O-N 3.14Å; S169-I172 PolarHBondContact O-N 2.91Å; S169-H173 WeakPolarHBondContact O-CB 3.47Å; S169-H173 PolarHBondContact O-CD2 3.35Å; S169-H173 PolarHBondContact O-N 3.3Å; S169-T214 WeakPolarHBondContact CB-O 3.36Å; S169-T214 PolarHBondContact OG-O 3.32Å
170	L	95.9	Very high	94	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.9	-38	-179.7	-175.1	60.5	0	0	0	111.6	A125 A129 Y132 L158 N167 V168 I172 H173 V174 M216 Y219	A125-L170 WeakPolarHBondContact O-CD2 3.42Å; A129-L170 HydrophobicContact CB-CD1 4.47Å; A129-L170 HydrophobicContact CB-CD2 4.1Å; Y132-L170 HydrophobicContact CD1-CD1 4.41Å; Y132-L170 HydrophobicContact CD2-CD1 4.39Å; Y132-L170 HydrophobicContact CG-CD1 3.96Å; L158-L170 HydrophobicContact CD1-CD2 4.46Å; L158-L170 HydrophobicContact CD1-CG 4.09Å; L158-L170 HydrophobicContact CD2-CD2 3.81Å; L158-L170 HydrophobicContact CD2-CG 4.2Å; L158-L170 HydrophobicContact CG-CD2 4.36Å; N167-L170 WeakPolarHBondContact O-CB 3.36Å; N167-L170 PolarHBondContact O-N 3.33Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-L170 PolarHBondContact O-N 3.45Å; L170-I172 VanDerWaalsContact C-N 3.33Å; L170-I172 PolarHBondContact O-N 3.49Å; L170-H173 PolarHBondContact O-N 2.86Å; L170-V174 WeakPolarHBondContact O-CG1 3.3Å; L170-V174 PolarHBondContact O-N 3.15Å; L170-M216 HydrophobicContact CB-CG 4.29Å; L170-M216 HydrophobicContact CB-SD 4.39Å; L170-M216 HydrophobicContact CD1-CG 4.21Å; L170-M216 HydrophobicContact CD1-SD 3.56Å; L170-M216 VanDerWaalsContact CD1-SD 3.56Å; L170-Y219 HydrophobicContact CB-CE2 4.48Å; L170-Y219 HydrophobicContact CD2-CE2 4.19Å
171	F	95.6	Very high	94.4	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.026	7%	0.071	C	C	.	.	H	α-helix	trans	-57.8	-41.6	174	-88.5	-87.3	0	0	0	113	L158 V163 N167 V168 R175 I201	L158-F171 HydrophobicContact CB-CD1 4.41Å; L158-F171 HydrophobicContact CB-CE1 3.85Å; L158-F171 HydrophobicContact CB-CE2 4.16Å; L158-F171 HydrophobicContact CB-CZ 3.72Å; L158-F171 HydrophobicContact CD1-CD1 4.12Å; L158-F171 HydrophobicContact CD1-CD2 4.22Å; L158-F171 HydrophobicContact CD1-CE1 4.37Å; L158-F171 HydrophobicContact CD1-CE2 4.48Å; L158-F171 HydrophobicContact CD1-CG 4.02Å; L158-F171 HydrophobicContact CD2-CD2 4.06Å; L158-F171 HydrophobicContact CD2-CE2 3.84Å; L158-F171 HydrophobicContact CD2-CZ 4.28Å; L158-F171 HydrophobicContact CG-CE2 4.4Å; L158-F171 HydrophobicContact CG-CZ 4.43Å; L158-F171 WeakPolarHBondContact O-CZ 3.48Å; V163-F171 HydrophobicContact CB-CE2 4.47Å; V163-F171 HydrophobicContact CG2-CD1 4.03Å; V163-F171 HydrophobicContact CG2-CD2 3.99Å; V163-F171 HydrophobicContact CG2-CE1 3.87Å; V163-F171 HydrophobicContact CG2-CE2 3.79Å; V163-F171 HydrophobicContact CG2-CG 4.12Å; V163-F171 HydrophobicContact CG2-CZ 3.74Å; N167-F171 HydrophobicContact CB-CD2 4.34Å; N167-F171 HydrophobicContact CB-CE2 4.34Å; N167-F171 WeakPolarHBondContact O-CD2 3.37Å; N167-F171 PolarHBondContact O-N 3.16Å; N167-F171 VanDerWaalsContact O-N 3.15Å; V168-F171 WeakPolarHBondContact O-CB 3.39Å; V168-F171 PolarHBondContact O-N 3.2Å; F171-R175 WeakPolarHBondContact O-CG 3.35Å; F171-R175 PolarHBondContact O-NH1 2.99Å; F171-I201 HydrophobicContact CB-CD1 4.38Å; F171-I201 HydrophobicContact CB-CG2 4.45Å; F171-I201 HydrophobicContact CD1-CD1 4.31Å
172	I	96.8	Very high	94.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-72.8	-47.7	177.6	-67.1	176.5	0	0	0	110.3	V168 S169 L170 V174 R175 N176 I201 Y202 F236 A239	V168-I172 HydrophobicContact CG2-CD1 4.5Å; V168-I172 PolarHBondContact O-N 3.03Å; V168-I172 VanDerWaalsContact O-N 3.15Å; S169-I172 PolarHBondContact O-N 2.91Å; L170-I172 VanDerWaalsContact C-N 3.33Å; L170-I172 PolarHBondContact O-N 3.49Å; I172-V174 PolarHBondContact O-N 3.44Å; I172-R175 PolarHBondContact O-N 2.94Å; I172-N176 VanDerWaalsContact O-CG 3.31Å; I172-N176 PolarHBondContact O-N 2.9Å; I172-I201 HydrophobicContact CG1-CG2 4.23Å; I172-Y202 HydrophobicContact CD1-CD2 4.07Å; I172-Y202 HydrophobicContact CD1-CG 4.43Å; I172-F236 HydrophobicContact CD1-CD2 4.37Å; I172-F236 HydrophobicContact CD1-CE2 3.44Å; I172-F236 VanDerWaalsContact CD1-CE2 3.44Å; I172-F236 HydrophobicContact CD1-CZ 3.68Å; I172-A239 HydrophobicContact CG2-CB 4.15Å
173	H	97.1	Very high	95	Very high	35 Å²	35	12.8 Å²	12.8	16%	0.162	7%	0.066	C	C	.	.	H	α-helix	trans	-60.9	-45.6	-176	-88.5	-74.4	0	0	0	113.1	Y132 S169 L170 R175 N176 Q177 M216 A239	Y132-H173 HydrophobicContact CE2-CB 3.78Å; S169-H173 WeakPolarHBondContact O-CB 3.47Å; S169-H173 PolarHBondContact O-CD2 3.35Å; S169-H173 PolarHBondContact O-N 3.3Å; L170-H173 PolarHBondContact O-N 2.86Å; H173-R175 VanDerWaalsContact C-N 3.33Å; H173-R175 PolarHBondContact O-N 2.97Å; H173-N176 PolarHBondContact O-N 3.32Å; H173-Q177 WeakPolarHBondContact O-CG 3.38Å; H173-Q177 PolarHBondContact O-N 2.65Å; H173-M216 HydrophobicContact CB-CE 3.84Å; H173-M216 HydrophobicContact CB-SD 3.54Å; H173-M216 VanDerWaalsContact CB-SD 3.54Å; H173-M216 WeakPolarHBondContact CD2-CE 3.27Å; H173-M216 VanDerWaalsContact CD2-SD 3.59Å; H173-A239 WeakPolarHBondContact NE2-CB 3.33Å
174	V	97.3	Very high	95	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.6	-38.5	179.7	70.1	0	0	0	0	111.9	Y132 L151 C154 M155 L158 L170 I172 Q177 L178	Y132-V174 HydrophobicContact CD2-CB 4.11Å; Y132-V174 HydrophobicContact CD2-CG2 4.45Å; L151-V174 HydrophobicContact CB-CG2 4.26Å; L151-V174 HydrophobicContact CD2-CG2 4.11Å; L151-V174 WeakPolarHBondContact O-CG2 3.42Å; C154-V174 HydrophobicContact CB-CG2 3.96Å; M155-V174 HydrophobicContact CG-CG1 3.98Å; M155-V174 HydrophobicContact CG-CG2 3.94Å; M155-V174 HydrophobicContact SD-CG1 3.5Å; M155-V174 WeakPolarHBondContact SD-CG1 3.42Å; L158-V174 HydrophobicContact CD1-CG1 3.94Å; L170-V174 WeakPolarHBondContact O-CG1 3.3Å; L170-V174 PolarHBondContact O-N 3.15Å; I172-V174 PolarHBondContact O-N 3.44Å; V174-Q177 PolarHBondContact O-N 3.49Å; V174-L178 HydrophobicContact CG2-CD1 4.31Å; V174-L178 WeakPolarHBondContact O-CG 3.39Å; V174-L178 PolarHBondContact O-N 2.96Å
175	R	97.6	Very high	95	Very high	15 Å²	15	18.1 Å²	18.1	6%	0.057	10%	0.102	C	C	.	.	H	α-helix	trans	-69.2	-39	176.8	-79.6	-176.7	172	72	-2.6	112.4	D103 M155 F171 I172 H173 Q177 L178 G179 F194 A198	D103-R175 IonicContact OD1-CZ 3.5Å; D103-R175 IonicContact OD1-NE 3.12Å; D103-R175 IonicContact OD1-NH2 3.91Å; D103-R175 PolarHBondContact OD1-NH2 2.84Å; D103-R175 IonicContact OD2-NE 3.71Å; D103-R175 PolarHBondContact OD2-NE 3.15Å; D103-R175 VanDerWaalsContact OD2-NE 3.12Å; M155-R175 HydrophobicContact SD-CG 4.31Å; M155-R175 PolarHBondContact SD-NH1 2.96Å; M155-R175 VanDerWaalsContact SD-NH1 3.42Å; F171-R175 WeakPolarHBondContact O-CG 3.35Å; F171-R175 PolarHBondContact O-NH1 2.99Å; I172-R175 PolarHBondContact O-N 2.94Å; H173-R175 VanDerWaalsContact C-N 3.33Å; H173-R175 PolarHBondContact O-N 2.97Å; R175-Q177 VanDerWaalsContact C-N 3.33Å; R175-Q177 PolarHBondContact O-N 3.16Å; R175-L178 PolarHBondContact O-N 2.98Å; R175-G179 PolarHBondContact O-N 2.96Å; R175-F194 HydrophobicContact CG-CD1 4.32Å; R175-A198 HydrophobicContact CB-CB 3.83Å
176	N	97.6	Very high	94.9	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-58.1	-48.2	172	-73.8	-8.6	0	0	0	110.6	I172 H173 L178 G179 I180 A239 T243	I172-N176 VanDerWaalsContact O-CG 3.31Å; I172-N176 PolarHBondContact O-N 2.9Å; H173-N176 PolarHBondContact O-N 3.32Å; N176-L178 PolarHBondContact O-N 3.25Å; N176-G179 PolarHBondContact O-N 3.49Å; N176-I180 WeakPolarHBondContact O-CD1 3.49Å; N176-I180 WeakPolarHBondContact O-CG1 3.42Å; N176-I180 PolarHBondContact O-N 2.87Å; N176-A239 PolarHBondContact ND2-O 3.08Å; N176-T243 PolarHBondContact ND2-OG1 2.92Å; N176-T243 WeakPolarHBondContact OD1-CB 3.46Å; N176-T243 PolarHBondContact OD1-OG1 3.02Å
177	Q	97.2	Very high	94.9	Very high	30 Å²	30	27 Å²	27	14%	0.14	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-41.9	179	-69.5	-62.6	-23.5	0	0	112.9	Y132 V136 L151 H173 V174 R175 I180 L181	Y132-Q177 HydrophobicContact CE2-CB 4.41Å; Y132-Q177 HydrophobicContact CE2-CG 3.61Å; V136-Q177 HydrophobicContact CG2-CG 3.79Å; L151-Q177 HydrophobicContact CD1-CB 3.82Å; L151-Q177 HydrophobicContact CD2-CB 3.92Å; H173-Q177 WeakPolarHBondContact O-CG 3.38Å; H173-Q177 PolarHBondContact O-N 2.65Å; V174-Q177 PolarHBondContact O-N 3.49Å; R175-Q177 VanDerWaalsContact C-N 3.33Å; R175-Q177 PolarHBondContact O-N 3.16Å; Q177-I180 PolarHBondContact O-N 3.33Å; Q177-L181 VanDerWaalsContact O-CB 3.3Å; Q177-L181 WeakPolarHBondContact O-CB 3.34Å; Q177-L181 PolarHBondContact O-N 3.06Å
178	L	97	Very high	94.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-44.7	173.9	-74.1	168.5	0	0	0	111.5	L151 M152 M155 V174 R175 N176 I180 L181 W182 F194	L151-L178 HydrophobicContact CB-CD2 3.68Å; L151-L178 HydrophobicContact CB-CG 3.97Å; L151-L178 HydrophobicContact CD1-CD2 4.15Å; L151-L178 HydrophobicContact CD1-CG 4.37Å; M152-L178 HydrophobicContact CG-CD2 4.22Å; M152-L178 HydrophobicContact SD-CD1 3.98Å; M152-L178 HydrophobicContact SD-CD2 4.13Å; M155-L178 HydrophobicContact CG-CD1 3.92Å; V174-L178 HydrophobicContact CG2-CD1 4.31Å; V174-L178 WeakPolarHBondContact O-CG 3.39Å; V174-L178 PolarHBondContact O-N 2.96Å; R175-L178 PolarHBondContact O-N 2.98Å; N176-L178 PolarHBondContact O-N 3.25Å; L178-I180 VanDerWaalsContact C-N 3.34Å; L178-I180 PolarHBondContact O-N 3.34Å; L178-L181 PolarHBondContact O-N 3.5Å; L178-W182 PolarHBondContact O-N 2.73Å; L178-F194 HydrophobicContact CB-CB 4.5Å; L178-F194 HydrophobicContact CB-CD1 4.11Å; L178-F194 HydrophobicContact CB-CD2 3.98Å; L178-F194 HydrophobicContact CB-CE1 4.31Å; L178-F194 HydrophobicContact CB-CE2 4.2Å; L178-F194 HydrophobicContact CB-CG 3.93Å; L178-F194 HydrophobicContact CB-CZ 4.34Å; L178-F194 HydrophobicContact CD1-CD1 4.09Å; L178-F194 HydrophobicContact CD1-CE1 3.71Å; L178-F194 HydrophobicContact CD1-CZ 4.06Å
179	G	96.2	Very high	94.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.4	-45.3	176.1	0	0	0	0	0	112.5	R175 N176 A183 A191	R175-G179 PolarHBondContact O-N 2.96Å; N176-G179 PolarHBondContact O-N 3.49Å; G179-A183 VanDerWaalsContact O-CB 3.25Å; G179-A183 WeakPolarHBondContact O-CB 3.34Å; G179-A183 PolarHBondContact O-N 2.89Å; G179-A191 VanDerWaalsContact O-CB 3.29Å; G179-A191 WeakPolarHBondContact O-CB 3.33Å
180	I	94.7	Very high	94.6	Very high	34 Å²	34	37.5 Å²	37.5	17%	0.174	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-47	176.1	-64.6	162.7	0	0	0	111	N176 Q177 L178 W182 A183 G184 H242 Y246	N176-I180 WeakPolarHBondContact O-CD1 3.49Å; N176-I180 WeakPolarHBondContact O-CG1 3.42Å; N176-I180 PolarHBondContact O-N 2.87Å; Q177-I180 PolarHBondContact O-N 3.33Å; L178-I180 VanDerWaalsContact C-N 3.34Å; L178-I180 PolarHBondContact O-N 3.34Å; I180-W182 PolarHBondContact O-N 3.48Å; I180-A183 PolarHBondContact O-N 3.16Å; I180-G184 PolarHBondContact O-N 2.91Å; I180-H242 WeakPolarHBondContact CD1-NE2 3.29Å; I180-Y246 HydrophobicContact CB-CE1 4.46Å; I180-Y246 HydrophobicContact CD1-CD2 3.71Å; I180-Y246 HydrophobicContact CD1-CE1 4.36Å; I180-Y246 HydrophobicContact CD1-CE2 3.29Å; I180-Y246 HydrophobicContact CD1-CG 4.4Å; I180-Y246 HydrophobicContact CG1-CD1 3.81Å; I180-Y246 HydrophobicContact CG1-CD2 3.54Å; I180-Y246 HydrophobicContact CG1-CE1 3.71Å; I180-Y246 HydrophobicContact CG1-CE2 3.44Å; I180-Y246 VanDerWaalsContact CG1-CE2 3.44Å; I180-Y246 HydrophobicContact CG1-CG 3.73Å; I180-Y246 HydrophobicContact CG2-CE1 4.18Å
181	L	95.1	Very high	94.6	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-45.5	-179.3	-177.6	158.8	0	0	0	111.6	V139 Q148 L151 Q177 L178 G184 R185	V139-L181 HydrophobicContact CG2-CD1 3.78Å; Q148-L181 HydrophobicContact CB-CD1 3.85Å; Q148-L181 HydrophobicContact CB-CD2 4.31Å; Q148-L181 HydrophobicContact CG-CD2 4.49Å; L151-L181 HydrophobicContact CD1-CD1 4.29Å; Q177-L181 VanDerWaalsContact O-CB 3.3Å; Q177-L181 WeakPolarHBondContact O-CB 3.34Å; Q177-L181 PolarHBondContact O-N 3.06Å; L178-L181 PolarHBondContact O-N 3.5Å; L181-G184 PolarHBondContact O-N 2.85Å; L181-R185 PolarHBondContact O-N 3.08Å
182	W	94.9	Very high	94.6	Very high	43 Å²	43	39.1 Å²	39.1	16%	0.163	21%	0.208	C	C	.	.	H	α-helix	trans	-70.6	-37.5	178.2	-72.4	113.8	0	0	0	112.3	L178 I180 G184 R185 E187 T190 A191 F194	L178-W182 PolarHBondContact O-N 2.73Å; I180-W182 PolarHBondContact O-N 3.48Å; W182-G184 VanDerWaalsContact C-N 3.3Å; W182-G184 PolarHBondContact O-N 3.42Å; W182-R185 PolarHBondContact O-N 2.68Å; W182-R185 VanDerWaalsContact O-N 3.07Å; W182-E187 HydrophobicContact CB-CB 4.49Å; W182-E187 HydrophobicContact CE3-CB 3.76Å; W182-E187 HydrophobicContact CE3-CG 3.95Å; W182-E187 HydrophobicContact CZ3-CB 4.43Å; W182-E187 HydrophobicContact CZ3-CG 4.17Å; W182-E187 PolarHBondContact O-N 2.94Å; W182-E187 VanDerWaalsContact O-N 3.13Å; W182-T190 HydrophobicContact CB-CG2 4.3Å; W182-T190 HydrophobicContact CD2-CG2 3.72Å; W182-T190 HydrophobicContact CE3-CG2 4.29Å; W182-T190 HydrophobicContact CG-CG2 3.7Å; W182-T190 HydrophobicContact CZ2-CG2 4.46Å; W182-A191 HydrophobicContact CB-CB 3.95Å; W182-F194 AromaticContact CD1-CD2 3.64Å; W182-F194 AromaticContact CD1-CE2 3.41Å; W182-F194 VanDerWaalsContact CD1-CE2 3.41Å; W182-F194 AromaticContact NE1-CE2 3.38Å
183	A	92.3	Very high	94.5	Very high	19 Å²	19	40.3 Å²	40.3	16%	0.157	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-40.1	174.1	0	0	0	0	0	111.4	G179 I180 R185 D186 A191 V250	G179-A183 VanDerWaalsContact O-CB 3.25Å; G179-A183 WeakPolarHBondContact O-CB 3.34Å; G179-A183 PolarHBondContact O-N 2.89Å; I180-A183 PolarHBondContact O-N 3.16Å; A183-R185 PolarHBondContact O-N 3.23Å; A183-D186 PolarHBondContact O-N 2.95Å; A183-D186 VanDerWaalsContact O-N 3.13Å; A183-A191 HydrophobicContact CB-CB 3.87Å; A183-V250 HydrophobicContact CB-CG2 4.3Å
184	G	89.9	Confident	94.5	Very high	66 Å²	66	38.7 Å²	38.7	68%	0.68	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.7	175.4	0	0	0	0	0	114.9	I180 L181 W182	I180-G184 PolarHBondContact O-N 2.91Å; L181-G184 PolarHBondContact O-N 2.85Å; W182-G184 VanDerWaalsContact C-N 3.3Å; W182-G184 PolarHBondContact O-N 3.42Å
185	R	91.6	Very high	94.5	Very high	71 Å²	71	38.7 Å²	38.7	27%	0.268	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	10.7	173	-68.1	-179.1	-179.6	175.2	4.4	112.9	L144 L181 W182 A183 E187	L144-R185 PolarHBondContact O-NH2 3.22Å; L181-R185 PolarHBondContact O-N 3.08Å; W182-R185 PolarHBondContact O-N 2.68Å; W182-R185 VanDerWaalsContact O-N 3.07Å; A183-R185 PolarHBondContact O-N 3.23Å; R185-E187 HydrophobicContact CB-CG 4.38Å; R185-E187 PolarHBondContact O-N 3.43Å; R185-E187 VanDerWaalsContact O-N 3.13Å
186	D	89.8	Confident	94.5	Very high	132 Å²	132	41 Å²	41	71%	0.706	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	12.3	-174	-57.7	-45.4	0	0	0	114.6	A183 T188	A183-D186 PolarHBondContact O-N 2.95Å; A183-D186 VanDerWaalsContact O-N 3.13Å; D186-T188 PolarHBondContact O-N 3.43Å; D186-T188 PolarHBondContact O-OG1 3.33Å
187	E	93.6	Very high	94.4	Very high	102 Å²	102	41.5 Å²	41.5	48%	0.477	23%	0.228	S	C	.	.			trans	-85.3	64.4	175.8	-69.2	-67.3	175.9	0	0	110.6	W182 R185 E189 T190 A191	W182-E187 HydrophobicContact CB-CB 4.49Å; W182-E187 HydrophobicContact CE3-CB 3.76Å; W182-E187 HydrophobicContact CE3-CG 3.95Å; W182-E187 HydrophobicContact CZ3-CB 4.43Å; W182-E187 HydrophobicContact CZ3-CG 4.17Å; W182-E187 PolarHBondContact O-N 2.94Å; W182-E187 VanDerWaalsContact O-N 3.13Å; R185-E187 HydrophobicContact CB-CG 4.38Å; R185-E187 PolarHBondContact O-N 3.43Å; R185-E187 VanDerWaalsContact O-N 3.13Å; E187-E189 PolarHBondContact O-N 3.39Å; E187-T190 PolarHBondContact O-N 3.34Å; E187-A191 PolarHBondContact O-N 3.5Å
188	T	92.4	Very high	94.4	Very high	24 Å²	24	40 Å²	40	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-36.3	-165.2	-37.8	0	0	0	0	113.4	D186 A191 Q192 V250 N253 L254	D186-T188 PolarHBondContact O-N 3.43Å; D186-T188 PolarHBondContact O-OG1 3.33Å; T188-A191 PolarHBondContact O-N 2.97Å; T188-Q192 PolarHBondContact O-N 2.89Å; T188-V250 HydrophobicContact CG2-CB 4.48Å; T188-V250 HydrophobicContact CG2-CG1 4.07Å; T188-N253 HydrophobicContact CG2-CB 3.71Å; T188-L254 HydrophobicContact CG2-CD1 4.44Å; T188-L254 HydrophobicContact CG2-CD2 3.88Å; T188-L254 HydrophobicContact CG2-CG 3.75Å
189	E	92.3	Very high	94.4	Very high	154 Å²	154	41.2 Å²	41.2	72%	0.72	23%	0.227	S	C	*	.	H	α-helix	trans	-68.3	-39.8	177.9	-64.4	-176.2	176	0	0	112.1	E187 Q192 G193 L254	E187-E189 PolarHBondContact O-N 3.39Å; E189-Q192 WeakPolarHBondContact O-CB 3.42Å; E189-Q192 PolarHBondContact O-N 3.14Å; E189-G193 PolarHBondContact O-N 3.15Å; E189-G193 VanDerWaalsContact O-N 3.17Å; E189-L254 HydrophobicContact CG-CD2 4.36Å
190	T	92.9	Very high	94.4	Very high	48 Å²	48	43.2 Å²	43.2	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-67.3	-41.6	176.6	-59.1	0	0	0	0	110.5	W182 E187 Q192 G193 F194	W182-T190 HydrophobicContact CB-CG2 4.3Å; W182-T190 HydrophobicContact CD2-CG2 3.72Å; W182-T190 HydrophobicContact CE3-CG2 4.29Å; W182-T190 HydrophobicContact CG-CG2 3.7Å; W182-T190 HydrophobicContact CZ2-CG2 4.46Å; E187-T190 PolarHBondContact O-N 3.34Å; T190-Q192 VanDerWaalsContact C-N 3.32Å; T190-Q192 PolarHBondContact O-N 2.95Å; T190-G193 PolarHBondContact O-N 3.43Å; T190-F194 HydrophobicContact CG2-CD2 4.17Å; T190-F194 HydrophobicContact CG2-CE2 3.76Å; T190-F194 VanDerWaalsContact O-CD2 3.28Å; T190-F194 WeakPolarHBondContact O-CD2 3.4Å; T190-F194 PolarHBondContact O-N 2.98Å
191	A	95.7	Very high	94.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-42.7	174.5	0	0	0	0	0	112.2	G179 W182 A183 E187 T188 G193 F194 L195 V250	G179-A191 VanDerWaalsContact O-CB 3.29Å; G179-A191 WeakPolarHBondContact O-CB 3.33Å; W182-A191 HydrophobicContact CB-CB 3.95Å; A183-A191 HydrophobicContact CB-CB 3.87Å; E187-A191 PolarHBondContact O-N 3.5Å; T188-A191 PolarHBondContact O-N 2.97Å; A191-G193 PolarHBondContact O-N 3.36Å; A191-F194 PolarHBondContact O-N 3.23Å; A191-L195 WeakPolarHBondContact O-CG 3.28Å; A191-L195 PolarHBondContact O-N 3.39Å; A191-V250 HydrophobicContact CB-CG2 3.89Å
192	Q	95.1	Very high	94.5	Very high	39 Å²	39	42.7 Å²	42.7	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-55.9	-50.5	175.8	-174.2	-168.8	-27.5	0	0	111.5	T188 E189 T190 F194 L195 E196 V250 Y251 L254	T188-Q192 PolarHBondContact O-N 2.89Å; E189-Q192 WeakPolarHBondContact O-CB 3.42Å; E189-Q192 PolarHBondContact O-N 3.14Å; T190-Q192 VanDerWaalsContact C-N 3.32Å; T190-Q192 PolarHBondContact O-N 2.95Å; Q192-F194 VanDerWaalsContact C-N 3.34Å; Q192-F194 PolarHBondContact O-N 2.78Å; Q192-L195 PolarHBondContact O-N 3.02Å; Q192-L195 VanDerWaalsContact O-N 3.16Å; Q192-E196 HydrophobicContact CG-CG 4.07Å; Q192-E196 PolarHBondContact NE2-OE2 2.99Å; Q192-E196 PolarHBondContact O-N 3.28Å; Q192-V250 HydrophobicContact CB-CG1 3.63Å; Q192-V250 HydrophobicContact CG-CG1 4.16Å; Q192-Y251 HydrophobicContact CG-CE1 4.28Å; Q192-L254 HydrophobicContact CB-CD1 4.5Å; Q192-L254 HydrophobicContact CG-CD1 4.49Å
193	G	95.3	Very high	94.5	Very high	25 Å²	25	45.4 Å²	45.4	26%	0.258	25%	0.251	S	S	.	.	H	α-helix	trans	-56.9	-44.4	-177.5	0	0	0	0	0	113.3	E189 T190 A191 S197	E189-G193 PolarHBondContact O-N 3.15Å; E189-G193 VanDerWaalsContact O-N 3.17Å; T190-G193 PolarHBondContact O-N 3.43Å; A191-G193 PolarHBondContact O-N 3.36Å; G193-S197 WeakPolarHBondContact O-CB 3.24Å; G193-S197 PolarHBondContact O-N 3.13Å; G193-S197 VanDerWaalsContact O-N 3.15Å; G193-S197 PolarHBondContact O-OG 3.26Å
194	F	96.8	Very high	94.6	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-41.9	177.5	-74.9	-63.9	0	0	0	112.7	V102 D103 M152 R175 L178 W182 T190 A191 Q192 A198	V102-F194 HydrophobicContact CB-CZ 4.05Å; V102-F194 HydrophobicContact CG1-CE1 4.03Å; V102-F194 HydrophobicContact CG1-CZ 3.73Å; D103-F194 HydrophobicContact CB-CD1 4.32Å; D103-F194 HydrophobicContact CB-CE1 4.45Å; D103-F194 WeakPolarHBondContact OD2-CA 3.38Å; M152-F194 HydrophobicContact SD-CZ 4.33Å; R175-F194 HydrophobicContact CG-CD1 4.32Å; L178-F194 HydrophobicContact CB-CB 4.5Å; L178-F194 HydrophobicContact CB-CD1 4.11Å; L178-F194 HydrophobicContact CB-CD2 3.98Å; L178-F194 HydrophobicContact CB-CE1 4.31Å; L178-F194 HydrophobicContact CB-CE2 4.2Å; L178-F194 HydrophobicContact CB-CG 3.93Å; L178-F194 HydrophobicContact CB-CZ 4.34Å; L178-F194 HydrophobicContact CD1-CD1 4.09Å; L178-F194 HydrophobicContact CD1-CE1 3.71Å; L178-F194 HydrophobicContact CD1-CZ 4.06Å; W182-F194 AromaticContact CD1-CD2 3.64Å; W182-F194 AromaticContact CD1-CE2 3.41Å; W182-F194 VanDerWaalsContact CD1-CE2 3.41Å; W182-F194 AromaticContact NE1-CE2 3.38Å; T190-F194 HydrophobicContact CG2-CD2 4.17Å; T190-F194 HydrophobicContact CG2-CE2 3.76Å; T190-F194 VanDerWaalsContact O-CD2 3.28Å; T190-F194 WeakPolarHBondContact O-CD2 3.4Å; T190-F194 PolarHBondContact O-N 2.98Å; A191-F194 PolarHBondContact O-N 3.23Å; Q192-F194 VanDerWaalsContact C-N 3.34Å; Q192-F194 PolarHBondContact O-N 2.78Å; F194-A198 PolarHBondContact O-N 3.04Å
195	L	97.6	Very high	94.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-75.8	-38.4	-176.2	-66.6	169.8	0	0	0	112.6	A191 Q192 S197 A198 E199 T243 L247 V250	A191-L195 WeakPolarHBondContact O-CG 3.28Å; A191-L195 PolarHBondContact O-N 3.39Å; Q192-L195 PolarHBondContact O-N 3.02Å; Q192-L195 VanDerWaalsContact O-N 3.16Å; L195-S197 VanDerWaalsContact C-N 3.3Å; L195-S197 PolarHBondContact O-N 3.02Å; L195-A198 WeakPolarHBondContact O-CB 3.25Å; L195-A198 PolarHBondContact O-N 3.32Å; L195-E199 PolarHBondContact O-N 3.42Å; L195-T243 HydrophobicContact CD2-CG2 4.35Å; L195-T243 WeakPolarHBondContact O-CG2 3.41Å; L195-L247 HydrophobicContact CB-CD2 3.38Å; L195-L247 HydrophobicContact CB-CG 3.73Å; L195-L247 HydrophobicContact CD1-CD2 4.35Å; L195-L247 HydrophobicContact CD1-CG 4.49Å; L195-V250 HydrophobicContact CD1-CG2 3.82Å
196	E	96.6	Very high	95	Very high	64 Å²	64	45 Å²	45	30%	0.299	23%	0.229	S	C	.	.	H	α-helix	trans	-64.1	-37.7	173.6	-74.7	-170.6	126.6	0	0	111	Q192 E199 S200 L247 Y251 R259	Q192-E196 HydrophobicContact CG-CG 4.07Å; Q192-E196 PolarHBondContact NE2-OE2 2.99Å; Q192-E196 PolarHBondContact O-N 3.28Å; E196-E199 PolarHBondContact O-N 2.79Å; E196-S200 WeakPolarHBondContact O-CB 3.37Å; E196-S200 PolarHBondContact O-N 2.95Å; E196-L247 HydrophobicContact CG-CD2 4.06Å; E196-Y251 VanDerWaalsContact CG-OH 3.3Å; E196-Y251 WeakPolarHBondContact CG-OH 3.5Å; E196-Y251 PolarHBondContact OE1-OH 2.85Å; E196-R259 IonicContact OE1-NH2 3.93Å; E196-R259 PolarHBondContact OE1-NH2 3.32Å
197	S	95.3	Very high	95.1	Very high	10 Å²	10	47.6 Å²	47.6	7%	0.07	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-40.6	173.1	-69.9	0	0	0	0	112.5	D103 G193 L195 E199 S200 I201	D103-S197 PolarHBondContact O-OG 3.31Å; D103-S197 WeakPolarHBondContact OD2-CB 3.27Å; D103-S197 PolarHBondContact OD2-OG 3.42Å; G193-S197 WeakPolarHBondContact O-CB 3.24Å; G193-S197 PolarHBondContact O-N 3.13Å; G193-S197 VanDerWaalsContact O-N 3.15Å; G193-S197 PolarHBondContact O-OG 3.26Å; L195-S197 VanDerWaalsContact C-N 3.3Å; L195-S197 PolarHBondContact O-N 3.02Å; S197-E199 VanDerWaalsContact C-N 3.33Å; S197-E199 PolarHBondContact O-N 3.04Å; S197-S200 PolarHBondContact O-N 3.18Å; S197-I201 WeakPolarHBondContact O-CB 3.3Å; S197-I201 VanDerWaalsContact O-CG1 3.26Å; S197-I201 WeakPolarHBondContact O-CG1 3.48Å; S197-I201 PolarHBondContact O-N 2.98Å
198	A	96.9	Very high	95	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-42	173.5	0	0	0	0	0	111.8	R175 F194 L195 I201 Y202 T243	R175-A198 HydrophobicContact CB-CB 3.83Å; F194-A198 PolarHBondContact O-N 3.04Å; L195-A198 WeakPolarHBondContact O-CB 3.25Å; L195-A198 PolarHBondContact O-N 3.32Å; A198-I201 PolarHBondContact O-N 2.85Å; A198-Y202 PolarHBondContact O-N 2.79Å; A198-T243 HydrophobicContact CB-CG2 3.77Å
199	E	96.9	Very high	94.9	Very high	25 Å²	25	49.5 Å²	49.5	12%	0.117	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-47.2	174.5	171.2	171.1	-127	0	0	111.9	L195 E196 S197 I201 Y202 Q203 Y240 T243 L247 Y263	L195-E199 PolarHBondContact O-N 3.42Å; E196-E199 PolarHBondContact O-N 2.79Å; S197-E199 VanDerWaalsContact C-N 3.33Å; S197-E199 PolarHBondContact O-N 3.04Å; E199-I201 VanDerWaalsContact C-N 3.35Å; E199-I201 PolarHBondContact O-N 3.48Å; E199-Y202 PolarHBondContact O-N 3.1Å; E199-Q203 HydrophobicContact CG-CG 4.26Å; E199-Q203 VanDerWaalsContact CG-NE2 3.28Å; E199-Q203 WeakPolarHBondContact O-CG 3.16Å; E199-Q203 PolarHBondContact O-N 3.1Å; E199-Q203 PolarHBondContact OE1-NE2 3.13Å; E199-Y240 HydrophobicContact CB-CE2 4.15Å; E199-Y240 HydrophobicContact CG-CE2 4.03Å; E199-Y240 PolarHBondContact OE1-OH 3.49Å; E199-T243 HydrophobicContact CB-CG2 4.35Å; E199-L247 HydrophobicContact CB-CD1 4.13Å; E199-Y263 WeakPolarHBondContact OE1-CE1 3.41Å; E199-Y263 PolarHBondContact OE1-OH 3.47Å; E199-Y263 PolarHBondContact OE2-OH 3.37Å
200	S	96.2	Very high	94.7	Very high	42 Å²	42	43.9 Å²	43.9	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-59.4	-44.2	178.4	-177.3	0	0	0	0	112.2	T106 E196 S197 Y202 Q203 R204	T106-S200 WeakPolarHBondContact CG2-OG 3.21Å; E196-S200 WeakPolarHBondContact O-CB 3.37Å; E196-S200 PolarHBondContact O-N 2.95Å; S197-S200 PolarHBondContact O-N 3.18Å; S200-Y202 PolarHBondContact O-N 2.94Å; S200-Q203 PolarHBondContact O-N 2.98Å; S200-R204 VanDerWaalsContact O-CB 3.28Å; S200-R204 WeakPolarHBondContact O-CB 3.35Å; S200-R204 PolarHBondContact O-N 2.79Å
201	I	95.3	Very high	94.7	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.056	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-47.3	176.1	-71.5	167.1	0	0	0	110.8	F110 V163 V168 F171 I172 S197 A198 E199 Y205	F110-I201 HydrophobicContact CE2-CG1 4.18Å; F110-I201 HydrophobicContact CE2-CG2 4.49Å; F110-I201 HydrophobicContact CZ-CG2 4.22Å; V163-I201 HydrophobicContact CG1-CG2 4.19Å; V168-I201 HydrophobicContact CG2-CG2 3.78Å; F171-I201 HydrophobicContact CB-CD1 4.38Å; F171-I201 HydrophobicContact CB-CG2 4.45Å; F171-I201 HydrophobicContact CD1-CD1 4.31Å; I172-I201 HydrophobicContact CG1-CG2 4.23Å; S197-I201 WeakPolarHBondContact O-CB 3.3Å; S197-I201 VanDerWaalsContact O-CG1 3.26Å; S197-I201 WeakPolarHBondContact O-CG1 3.48Å; S197-I201 PolarHBondContact O-N 2.98Å; A198-I201 PolarHBondContact O-N 2.85Å; E199-I201 VanDerWaalsContact C-N 3.35Å; E199-I201 PolarHBondContact O-N 3.48Å; I201-Y205 WeakPolarHBondContact O-CB 3.42Å; I201-Y205 PolarHBondContact O-N 2.92Å
202	Y	96.6	Very high	94.6	Very high	19 Å²	19	50 Å²	50	8%	0.075	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-53.2	177.5	174.4	-90.9	0	0	0	111.6	I172 A198 E199 S200 R204 Y205 M206 F236 E237 Y240	I172-Y202 HydrophobicContact CD1-CD2 4.07Å; I172-Y202 HydrophobicContact CD1-CG 4.43Å; A198-Y202 PolarHBondContact O-N 2.79Å; E199-Y202 PolarHBondContact O-N 3.1Å; S200-Y202 PolarHBondContact O-N 2.94Å; Y202-R204 VanDerWaalsContact C-N 3.29Å; Y202-R204 PolarHBondContact O-N 3.33Å; Y202-Y205 PolarHBondContact O-N 3.33Å; Y202-M206 HydrophobicContact CD1-CG 4.2Å; Y202-M206 HydrophobicContact CD2-CG 4.25Å; Y202-M206 HydrophobicContact CE1-CG 3.77Å; Y202-M206 HydrophobicContact CE2-CG 3.84Å; Y202-M206 HydrophobicContact CE2-SD 4.29Å; Y202-M206 HydrophobicContact CG-CG 4.42Å; Y202-M206 WeakPolarHBondContact O-CG 3.45Å; Y202-M206 PolarHBondContact O-N 3.49Å; Y202-F236 HydrophobicContact CD2-CD1 4.17Å; Y202-F236 AromaticContact CD2-CE1 3.39Å; Y202-F236 HydrophobicContact CD2-CE1 3.39Å; Y202-F236 AromaticContact CD2-CZ 3.6Å; Y202-F236 HydrophobicContact CD2-CZ 3.6Å; Y202-F236 AromaticContact CE2-CD1 3.81Å; Y202-F236 HydrophobicContact CE2-CD1 3.81Å; Y202-F236 AromaticContact CE2-CE1 3.36Å; Y202-F236 HydrophobicContact CE2-CE1 3.36Å; Y202-F236 HydrophobicContact CE2-CZ 4.08Å; Y202-E237 PolarHBondContact OH-OE1 2.9Å; Y202-E237 PolarHBondContact OH-OE2 3.22Å; Y202-Y240 AromaticContact CD1-CD1 3.49Å; Y202-Y240 HydrophobicContact CD1-CD1 3.49Å; Y202-Y240 VanDerWaalsContact CD1-CD1 3.49Å; Y202-Y240 AromaticContact CD1-CD2 3.53Å; Y202-Y240 HydrophobicContact CD1-CD2 3.53Å; Y202-Y240 AromaticContact CD1-CE1 3.46Å; Y202-Y240 HydrophobicContact CD1-CE1 3.46Å; Y202-Y240 VanDerWaalsContact CD1-CE1 3.46Å; Y202-Y240 AromaticContact CD1-CE2 3.48Å; Y202-Y240 HydrophobicContact CD1-CE2 3.48Å; Y202-Y240 VanDerWaalsContact CD1-CE2 3.48Å; Y202-Y240 AromaticContact CD1-CG 3.54Å; Y202-Y240 HydrophobicContact CD1-CG 3.54Å; Y202-Y240 AromaticContact CD1-CZ 3.43Å; Y202-Y240 VanDerWaalsContact CD1-CZ 3.43Å; Y202-Y240 VanDerWaalsContact CD2-CB 3.5Å; Y202-Y240 HydrophobicContact CD2-CD1 4.04Å; Y202-Y240 AromaticContact CD2-CD2 3.91Å; Y202-Y240 HydrophobicContact CD2-CD2 3.91Å; Y202-Y240 AromaticContact CD2-CG 3.54Å; Y202-Y240 HydrophobicContact CD2-CG 3.54Å; Y202-Y240 AromaticContact CE1-CD1 3.21Å; Y202-Y240 HydrophobicContact CE1-CD1 3.21Å; Y202-Y240 HydrophobicContact CE1-CD2 4.17Å; Y202-Y240 AromaticContact CE1-CE1 3.25Å; Y202-Y240 HydrophobicContact CE1-CE1 3.25Å; Y202-Y240 HydrophobicContact CE1-CE2 4.18Å; Y202-Y240 AromaticContact CE1-CG 3.72Å; Y202-Y240 HydrophobicContact CE1-CG 3.72Å; Y202-Y240 AromaticContact CE1-CZ 3.74Å; Y202-Y240 AromaticContact CE2-CD1 3.78Å; Y202-Y240 HydrophobicContact CE2-CD1 3.78Å; Y202-Y240 HydrophobicContact CE2-CD2 4.48Å; Y202-Y240 AromaticContact CE2-CG 3.7Å; Y202-Y240 HydrophobicContact CE2-CG 3.7Å; Y202-Y240 AromaticContact CG-CD1 3.9Å; Y202-Y240 HydrophobicContact CG-CD1 3.9Å; Y202-Y240 AromaticContact CG-CD2 3.38Å; Y202-Y240 HydrophobicContact CG-CD2 3.38Å; Y202-Y240 HydrophobicContact CG-CE1 4.27Å; Y202-Y240 AromaticContact CG-CE2 3.77Å; Y202-Y240 HydrophobicContact CG-CE2 3.77Å; Y202-Y240 AromaticContact CG-CG 3.45Å; Y202-Y240 HydrophobicContact CG-CG 3.45Å; Y202-Y240 VanDerWaalsContact CG-CG 3.45Å; Y202-Y240 AromaticContact CZ-CD1 3.37Å; Y202-Y240 AromaticContact CZ-CE1 3.9Å; Y202-Y240 AromaticContact CZ-CG 3.79Å
203	Q	95.4	Very high	94.6	Very high	101 Å²	101	48.2 Å²	48.2	47%	0.472	24%	0.241	S	C	.	.	H	α-helix	trans	-60.2	-41.5	-176.5	-70.9	-179.7	7.3	0	0	111.6	E199 S200 K207	E199-Q203 HydrophobicContact CG-CG 4.26Å; E199-Q203 VanDerWaalsContact CG-NE2 3.28Å; E199-Q203 WeakPolarHBondContact O-CG 3.16Å; E199-Q203 PolarHBondContact O-N 3.1Å; E199-Q203 PolarHBondContact OE1-NE2 3.13Å; S200-Q203 PolarHBondContact O-N 2.98Å; Q203-K207 WeakPolarHBondContact O-CB 3.25Å; Q203-K207 PolarHBondContact O-N 2.95Å; Q203-K207 VanDerWaalsContact O-N 3.15Å
204	R	94	Very high	94.4	Very high	65 Å²	65	48.4 Å²	48.4	25%	0.245	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-46.3	176.9	-175.6	171.3	173.7	-179.6	-2.7	112	F110 S200 Y202 M206 K207 E208	F110-R204 HydrophobicContact CD1-CG 4.38Å; F110-R204 HydrophobicContact CE1-CB 4.45Å; F110-R204 HydrophobicContact CE1-CG 3.99Å; F110-R204 HydrophobicContact CE2-CB 4.34Å; F110-R204 HydrophobicContact CE2-CG 4.22Å; F110-R204 HydrophobicContact CZ-CB 3.96Å; F110-R204 HydrophobicContact CZ-CG 3.9Å; S200-R204 VanDerWaalsContact O-CB 3.28Å; S200-R204 WeakPolarHBondContact O-CB 3.35Å; S200-R204 PolarHBondContact O-N 2.79Å; Y202-R204 VanDerWaalsContact C-N 3.29Å; Y202-R204 PolarHBondContact O-N 3.33Å; R204-M206 VanDerWaalsContact C-N 3.34Å; R204-M206 PolarHBondContact O-N 3.24Å; R204-K207 PolarHBondContact O-N 3Å; R204-K207 VanDerWaalsContact O-N 3.14Å; R204-E208 HydrophobicContact CG-CG 4.35Å; R204-E208 WeakPolarHBondContact CG-OE1 3.13Å; R204-E208 IonicContact CZ-OE1 3.62Å; R204-E208 IonicContact NE-OE1 2.58Å; R204-E208 PolarHBondContact NE-OE1 3.43Å; R204-E208 IonicContact NE-OE2 3.69Å; R204-E208 IonicContact NH2-OE1 3.55Å; R204-E208 PolarHBondContact O-N 2.91Å
205	Y	95.2	Very high	94.3	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-44.3	177.9	180	-102.7	0	0	0	112.2	S165 V168 I201 Y202 K207 E208 D209 G210 R211 P213 F236	S165-Y205 WeakPolarHBondContact CA-OH 3.44Å; S165-Y205 WeakPolarHBondContact CB-OH 3.44Å; V168-Y205 HydrophobicContact CB-CD2 4.23Å; V168-Y205 HydrophobicContact CB-CG 4.38Å; V168-Y205 HydrophobicContact CG1-CD1 4.12Å; V168-Y205 HydrophobicContact CG1-CD2 4.08Å; V168-Y205 HydrophobicContact CG1-CE1 4.01Å; V168-Y205 HydrophobicContact CG1-CE2 3.99Å; V168-Y205 HydrophobicContact CG1-CG 4.16Å; V168-Y205 HydrophobicContact CG2-CD1 4.35Å; V168-Y205 HydrophobicContact CG2-CD2 4.13Å; V168-Y205 HydrophobicContact CG2-CG 3.87Å; I201-Y205 WeakPolarHBondContact O-CB 3.42Å; I201-Y205 PolarHBondContact O-N 2.92Å; Y202-Y205 PolarHBondContact O-N 3.33Å; Y205-K207 PolarHBondContact O-N 3.41Å; Y205-E208 PolarHBondContact O-N 2.91Å; Y205-D209 HydrophobicContact CD2-CB 4.1Å; Y205-D209 HydrophobicContact CE2-CB 3.66Å; Y205-D209 WeakPolarHBondContact CE2-OD2 3.46Å; Y205-D209 PolarHBondContact O-N 3.47Å; Y205-D209 PolarHBondContact OH-OD2 3.25Å; Y205-G210 PolarHBondContact O-N 2.98Å; Y205-R211 WeakPolarHBondContact CE1-O 3.4Å; Y205-R211 PolarHBondContact OH-O 3.36Å; Y205-P213 HydrophobicContact CE1-CB 4.31Å; Y205-P213 HydrophobicContact CE1-CG 4.39Å; Y205-F236 AromaticContact CD1-CE1 3.97Å; Y205-F236 HydrophobicContact CD1-CE1 3.97Å; Y205-F236 AromaticContact CD1-CZ 3.81Å; Y205-F236 HydrophobicContact CD1-CZ 3.81Å; Y205-F236 HydrophobicContact CE1-CE1 4.35Å; Y205-F236 HydrophobicContact CE1-CZ 4.34Å
206	M	94.4	Very high	94	Very high	77 Å²	77	49.3 Å²	49.3	38%	0.379	24%	0.242	S	C	.	.	H	α-helix	trans	-65.6	-27.3	178	-69	-57.3	-72.6	0	0	113.1	Y202 R204 F236	Y202-M206 HydrophobicContact CD1-CG 4.2Å; Y202-M206 HydrophobicContact CD2-CG 4.25Å; Y202-M206 HydrophobicContact CE1-CG 3.77Å; Y202-M206 HydrophobicContact CE2-CG 3.84Å; Y202-M206 HydrophobicContact CE2-SD 4.29Å; Y202-M206 HydrophobicContact CG-CG 4.42Å; Y202-M206 WeakPolarHBondContact O-CG 3.45Å; Y202-M206 PolarHBondContact O-N 3.49Å; R204-M206 VanDerWaalsContact C-N 3.34Å; R204-M206 PolarHBondContact O-N 3.24Å; M206-F236 HydrophobicContact CG-CE1 4.47Å; M206-F236 HydrophobicContact SD-CE1 3.93Å
207	K	93.3	Very high	93.7	Very high	187 Å²	187	48 Å²	48	81%	0.813	24%	0.238	S	C	*	.	H	α-helix	trans	-80.8	-38.7	176.7	-174.9	-178.6	178.2	-175.4	0	113	Q203 R204 Y205	Q203-K207 WeakPolarHBondContact O-CB 3.25Å; Q203-K207 PolarHBondContact O-N 2.95Å; Q203-K207 VanDerWaalsContact O-N 3.15Å; R204-K207 PolarHBondContact O-N 3Å; R204-K207 VanDerWaalsContact O-N 3.14Å; Y205-K207 PolarHBondContact O-N 3.41Å
208	E	91.1	Very high	93.4	Very high	111 Å²	111	48.2 Å²	48.2	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-92.2	-38.7	-172.3	-68.4	-178.8	-169.1	0	0	113.8	R204 Y205	R204-E208 HydrophobicContact CG-CG 4.35Å; R204-E208 WeakPolarHBondContact CG-OE1 3.13Å; R204-E208 IonicContact CZ-OE1 3.62Å; R204-E208 IonicContact NE-OE1 2.58Å; R204-E208 PolarHBondContact NE-OE1 3.43Å; R204-E208 IonicContact NE-OE2 3.69Å; R204-E208 IonicContact NH2-OE1 3.55Å; R204-E208 PolarHBondContact O-N 2.91Å; Y205-E208 PolarHBondContact O-N 2.91Å
209	D	89.4	Confident	93.1	Very high	55 Å²	55	48.5 Å²	48.5	29%	0.294	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-59.8	-174.2	-171	0.2	0	0	0	111.8	Y205 R211	Y205-D209 HydrophobicContact CD2-CB 4.1Å; Y205-D209 HydrophobicContact CE2-CB 3.66Å; Y205-D209 WeakPolarHBondContact CE2-OD2 3.46Å; Y205-D209 PolarHBondContact O-N 3.47Å; Y205-D209 PolarHBondContact OH-OD2 3.25Å; D209-R211 PolarHBondContact O-N 2.91Å; D209-R211 VanDerWaalsContact OD1-CG 3.31Å; D209-R211 WeakPolarHBondContact OD1-CG 3.36Å; D209-R211 IonicContact OD1-CZ 2.65Å; D209-R211 IonicContact OD1-NE 3.92Å; D209-R211 PolarHBondContact OD1-NE 3.41Å; D209-R211 IonicContact OD1-NH2 3.31Å; D209-R211 PolarHBondContact OD1-NH2 3.37Å; D209-R211 IonicContact OD2-CZ 3.38Å; D209-R211 IonicContact OD2-NE 3.79Å; D209-R211 IonicContact OD2-NH2 3.96Å; D209-R211 PolarHBondContact OD2-NH2 2.92Å
210	G	89.2	Confident	92.8	Very high	36 Å²	36	47.3 Å²	47.3	37%	0.371	23%	0.234	S	C	.	.			trans	63.6	5.2	176.4	0	0	0	0	0	115.9	Y205	Y205-G210 PolarHBondContact O-N 2.98Å
211	R	92.7	Very high	92.3	Very high	142 Å²	142	46.8 Å²	46.8	54%	0.536	23%	0.229	S	C	.	.	S	Bend	trans	-68.8	154.6	173.1	-73.1	-176.7	-67.9	142.4	15.1	110.7	S165 Y205 D209 P213	S165-R211 PolarHBondContact OG-NH2 3.44Å; Y205-R211 WeakPolarHBondContact CE1-O 3.4Å; Y205-R211 PolarHBondContact OH-O 3.36Å; D209-R211 PolarHBondContact O-N 2.91Å; D209-R211 VanDerWaalsContact OD1-CG 3.31Å; D209-R211 WeakPolarHBondContact OD1-CG 3.36Å; D209-R211 IonicContact OD1-CZ 2.65Å; D209-R211 IonicContact OD1-NE 3.92Å; D209-R211 PolarHBondContact OD1-NE 3.41Å; D209-R211 IonicContact OD1-NH2 3.31Å; D209-R211 PolarHBondContact OD1-NH2 3.37Å; D209-R211 IonicContact OD2-CZ 3.38Å; D209-R211 IonicContact OD2-NE 3.79Å; D209-R211 IonicContact OD2-NH2 3.96Å; D209-R211 PolarHBondContact OD2-NH2 2.92Å; R211-P213 VanDerWaalsContact O-CD 3.24Å; R211-P213 WeakPolarHBondContact O-CD 3.34Å; R211-P213 VanDerWaalsContact O-N 3.14Å
212	P	93.3	Very high	91.6	Very high	34 Å²	34	47.9 Å²	47.9	22%	0.221	24%	0.236	C	C	.	.			trans	-62.5	115.5	175.2	-22.3	34.3	0	0	0	110.3	H229 R232 T233	P212-H229 HydrophobicContact CB-CB 4.27Å; P212-H229 HydrophobicContact CG-CB 3.92Å; P212-H229 WeakPolarHBondContact CG-ND1 3.48Å; P212-R232 HydrophobicContact CB-CB 3.96Å; P212-T233 WeakPolarHBondContact CB-OG1 3.3Å; P212-T233 WeakPolarHBondContact CG-OG1 3.36Å
213	P	94.3	Very high	90.7	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.013	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-76.8	156.2	-174.5	30.6	-32.3	0	0	0	111.3	S165 V168 Y205 R211 D215 R232 F236	S165-P213 CarbonylContact O-C 3.52Å; S165-P213 VanDerWaalsContact O-CA 3.27Å; S165-P213 WeakPolarHBondContact O-CA 3.29Å; S165-P213 WeakPolarHBondContact O-CB 3.43Å; V168-P213 HydrophobicContact CG1-CB 3.4Å; V168-P213 VanDerWaalsContact CG1-CB 3.4Å; V168-P213 HydrophobicContact CG1-CG 4.1Å; Y205-P213 HydrophobicContact CE1-CB 4.31Å; Y205-P213 HydrophobicContact CE1-CG 4.39Å; R211-P213 VanDerWaalsContact O-CD 3.24Å; R211-P213 WeakPolarHBondContact O-CD 3.34Å; R211-P213 VanDerWaalsContact O-N 3.14Å; P213-D215 PolarHBondContact O-N 3.42Å; P213-R232 WeakPolarHBondContact O-CB 3.39Å; P213-R232 WeakPolarHBondContact O-CD 3.45Å; P213-F236 HydrophobicContact CB-CD2 4.45Å; P213-F236 HydrophobicContact CG-CB 3.73Å; P213-F236 HydrophobicContact CG-CD1 3.88Å; P213-F236 HydrophobicContact CG-CD2 3.38Å; P213-F236 HydrophobicContact CG-CE1 4.29Å; P213-F236 HydrophobicContact CG-CE2 3.84Å; P213-F236 HydrophobicContact CG-CG 3.39Å; P213-F236 HydrophobicContact CG-CZ 4.28Å
214	T	92.6	Very high	89.9	Confident	30 Å²	30	57.6 Å²	57.6	18%	0.184	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-61.7	131.2	174.4	-60.5	0	0	0	0	109.4	S165 S169 E218 Y219	S165-T214 PolarHBondContact O-N 3.34Å; S169-T214 WeakPolarHBondContact CB-O 3.36Å; S169-T214 PolarHBondContact OG-O 3.32Å; T214-E218 HydrophobicContact CG2-CB 3.99Å; T214-Y219 HydrophobicContact CG2-CE1 4.39Å
215	D	93.5	Very high	89.3	Confident	10 Å²	10	59.5 Å²	59.5	5%	0.053	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-78.7	149.1	174.8	-176.2	-98	0	0	0	111	P213 T217 E218 L227 R235	P213-D215 PolarHBondContact O-N 3.42Å; D215-T217 PolarHBondContact O-N 3.08Å; D215-T217 VanDerWaalsContact O-N 3.15Å; D215-T217 WeakPolarHBondContact OD1-CB 3.38Å; D215-T217 WeakPolarHBondContact OD1-CG2 3.45Å; D215-T217 PolarHBondContact OD1-N 2.91Å; D215-T217 PolarHBondContact OD1-OG1 2.63Å; D215-E218 HydrophobicContact CB-CG 4.19Å; D215-E218 PolarHBondContact N-OE2 2.58Å; D215-E218 VanDerWaalsContact N-OE2 3.08Å; D215-E218 WeakPolarHBondContact O-CB 3.43Å; D215-E218 PolarHBondContact O-N 3.01Å; D215-L227 HydrophobicContact CB-CD1 3.53Å; D215-R235 IonicContact OD1-NH1 2.83Å; D215-R235 PolarHBondContact OD1-NH1 3.04Å; D215-R235 WeakPolarHBondContact OD2-CD 3.41Å; D215-R235 IonicContact OD2-NH1 2.82Å
216	M	91.1	Very high	89	Confident	10 Å²	10	63.2 Å²	63.2	5%	0.049	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-60.7	-27.9	-177.5	-59.2	-175.3	-60.4	0	0	113	Y132 Y133 L170 H173 E218 Y219	Y132-M216 HydrophobicContact CD1-CE 4.27Å; Y132-M216 HydrophobicContact CD1-SD 4.03Å; Y132-M216 HydrophobicContact CE1-CE 3.54Å; Y132-M216 HydrophobicContact CE1-SD 3.85Å; Y133-M216 HydrophobicContact CE2-CB 4.47Å; L170-M216 HydrophobicContact CB-CG 4.29Å; L170-M216 HydrophobicContact CB-SD 4.39Å; L170-M216 HydrophobicContact CD1-CG 4.21Å; L170-M216 HydrophobicContact CD1-SD 3.56Å; L170-M216 VanDerWaalsContact CD1-SD 3.56Å; H173-M216 HydrophobicContact CB-CE 3.84Å; H173-M216 HydrophobicContact CB-SD 3.54Å; H173-M216 VanDerWaalsContact CB-SD 3.54Å; H173-M216 WeakPolarHBondContact CD2-CE 3.27Å; H173-M216 VanDerWaalsContact CD2-SD 3.59Å; M216-E218 VanDerWaalsContact C-N 3.28Å; M216-E218 PolarHBondContact O-N 3.13Å; M216-Y219 HydrophobicContact CB-CD2 4.49Å; M216-Y219 HydrophobicContact CB-CE2 4.45Å; M216-Y219 WeakPolarHBondContact O-CD2 3.5Å
217	T	90.4	Very high	88.8	Confident	36 Å²	36	60.9 Å²	60.9	22%	0.221	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-72.1	-24	177.5	62	0	0	0	0	112.6	F39 D215 Y219 F220 R235	F39-T217 HydrophobicContact CE1-CG2 4.48Å; D215-T217 PolarHBondContact O-N 3.08Å; D215-T217 VanDerWaalsContact O-N 3.15Å; D215-T217 WeakPolarHBondContact OD1-CB 3.38Å; D215-T217 WeakPolarHBondContact OD1-CG2 3.45Å; D215-T217 PolarHBondContact OD1-N 2.91Å; D215-T217 PolarHBondContact OD1-OG1 2.63Å; T217-Y219 PolarHBondContact O-N 3.27Å; T217-F220 PolarHBondContact O-N 3.21Å; T217-R235 PolarHBondContact OG1-NH1 3.43Å; T217-R235 VanDerWaalsContact OG1-NH1 3.08Å
218	E	90.3	Very high	88.8	Confident	16 Å²	16	55.6 Å²	55.6	8%	0.075	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-76.4	-12.3	-178	-63.7	-176.6	99.4	0	0	113	T214 D215 M216 F220 L226 L227 R232	T214-E218 HydrophobicContact CG2-CB 3.99Å; D215-E218 HydrophobicContact CB-CG 4.19Å; D215-E218 PolarHBondContact N-OE2 2.58Å; D215-E218 VanDerWaalsContact N-OE2 3.08Å; D215-E218 WeakPolarHBondContact O-CB 3.43Å; D215-E218 PolarHBondContact O-N 3.01Å; M216-E218 VanDerWaalsContact C-N 3.28Å; M216-E218 PolarHBondContact O-N 3.13Å; E218-F220 PolarHBondContact O-N 3.46Å; E218-L226 HydrophobicContact CB-CD2 4.14Å; E218-L226 HydrophobicContact CG-CD2 4.2Å; E218-L226 VanDerWaalsContact OE1-CD2 3.29Å; E218-L226 WeakPolarHBondContact OE1-CD2 3.39Å; E218-L227 HydrophobicContact CG-CD1 4.19Å; E218-L227 HydrophobicContact CG-CG 4.08Å; E218-L227 PolarHBondContact OE1-N 3.08Å; E218-R232 VanDerWaalsContact CD-NE 3.34Å; E218-R232 IonicContact OE1-CZ 2.84Å; E218-R232 IonicContact OE1-NE 3.69Å; E218-R232 PolarHBondContact OE1-NE 2.9Å; E218-R232 VanDerWaalsContact OE1-NE 3.16Å; E218-R232 IonicContact OE1-NH2 3.73Å; E218-R232 PolarHBondContact OE1-NH2 2.99Å; E218-R232 IonicContact OE2-CZ 2.69Å; E218-R232 IonicContact OE2-NE 2.83Å; E218-R232 PolarHBondContact OE2-NE 3.39Å; E218-R232 IonicContact OE2-NH2 3.81Å; E218-R232 PolarHBondContact OE2-NH2 2.89Å
219	Y	89.2	Confident	88.8	Confident	6 Å²	6	56 Å²	56	2%	0.024	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-61.5	-24.8	169.9	-68.6	-46.3	0	0	0	113.3	W32 M122 A125 K126 A129 E166 N167 L170 T214 M216 T217	W32-Y219 WeakPolarHBondContact CH2-O 3.03Å; W32-Y219 WeakPolarHBondContact CZ2-O 2.98Å; M122-Y219 HydrophobicContact SD-CD1 4.31Å; M122-Y219 HydrophobicContact SD-CE1 4.35Å; A125-Y219 HydrophobicContact CB-CE1 4.02Å; K126-Y219 HydrophobicContact CG-CD1 4.35Å; K126-Y219 HydrophobicContact CG-CG 4.45Å; A129-Y219 HydrophobicContact CB-CD2 3.49Å; A129-Y219 VanDerWaalsContact CB-CD2 3.49Å; A129-Y219 HydrophobicContact CB-CE2 3.92Å; A129-Y219 HydrophobicContact CB-CG 4.42Å; E166-Y219 WeakPolarHBondContact O-CE1 3.33Å; E166-Y219 PolarHBondContact O-OH 2.82Å; N167-Y219 WeakPolarHBondContact CA-OH 3.41Å; L170-Y219 HydrophobicContact CB-CE2 4.48Å; L170-Y219 HydrophobicContact CD2-CE2 4.19Å; T214-Y219 HydrophobicContact CG2-CE1 4.39Å; M216-Y219 HydrophobicContact CB-CD2 4.49Å; M216-Y219 HydrophobicContact CB-CE2 4.45Å; M216-Y219 WeakPolarHBondContact O-CD2 3.5Å; T217-Y219 PolarHBondContact O-N 3.27Å
220	F	90.8	Very high	88.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-129.4	39.8	-174.5	-51.4	-67.4	0	0	0	111.6	W32 I35 C36 F39 I72 L76 K126 A129 V130 T217 E218	W32-F220 HydrophobicContact CH2-CD1 4.03Å; W32-F220 HydrophobicContact CH2-CE1 4.49Å; I35-F220 HydrophobicContact CG2-CD1 3.99Å; C36-F220 WeakPolarHBondContact CA-O 3.43Å; C36-F220 WeakPolarHBondContact CB-O 3.25Å; C36-F220 PolarHBondContact SG-O 3.33Å; C36-F220 VanDerWaalsContact SG-O 3.42Å; F39-F220 HydrophobicContact CB-CB 3.68Å; F39-F220 HydrophobicContact CB-CG 4.2Å; F39-F220 HydrophobicContact CD1-CB 3.53Å; F39-F220 HydrophobicContact CD1-CD2 4.07Å; F39-F220 HydrophobicContact CD1-CG 4.19Å; F39-F220 HydrophobicContact CD2-CB 4.14Å; F39-F220 AromaticContact CD2-CD2 3.53Å; F39-F220 HydrophobicContact CD2-CD2 3.53Å; F39-F220 HydrophobicContact CD2-CE2 4.21Å; F39-F220 AromaticContact CD2-CG 3.96Å; F39-F220 HydrophobicContact CD2-CG 3.96Å; F39-F220 HydrophobicContact CE1-CB 4.16Å; F39-F220 HydrophobicContact CE1-CD2 4.06Å; F39-F220 AromaticContact CE2-CD2 3.53Å; F39-F220 HydrophobicContact CE2-CD2 3.53Å; F39-F220 HydrophobicContact CE2-CE2 4.04Å; F39-F220 HydrophobicContact CE2-CG 4.39Å; F39-F220 HydrophobicContact CG-CB 3.5Å; F39-F220 VanDerWaalsContact CG-CB 3.5Å; F39-F220 AromaticContact CG-CD2 3.8Å; F39-F220 HydrophobicContact CG-CD2 3.8Å; F39-F220 AromaticContact CG-CG 3.84Å; F39-F220 HydrophobicContact CG-CG 3.84Å; F39-F220 AromaticContact CZ-CD2 3.79Å; F39-F220 HydrophobicContact CZ-CD2 3.79Å; I72-F220 HydrophobicContact CG2-CE1 4.3Å; L76-F220 HydrophobicContact CD1-CE1 3.86Å; L76-F220 HydrophobicContact CD1-CZ 4.34Å; K126-F220 HydrophobicContact CB-CE1 4.26Å; K126-F220 HydrophobicContact CB-CZ 4.3Å; K126-F220 HydrophobicContact CG-CE1 4.38Å; K126-F220 WeakPolarHBondContact O-CZ 3.5Å; A129-F220 HydrophobicContact CB-CE2 3.87Å; A129-F220 HydrophobicContact CB-CZ 4.19Å; V130-F220 HydrophobicContact CG2-CE1 4.11Å; V130-F220 HydrophobicContact CG2-CE2 4.14Å; V130-F220 HydrophobicContact CG2-CZ 3.48Å; V130-F220 VanDerWaalsContact CG2-CZ 3.48Å; T217-F220 PolarHBondContact O-N 3.21Å; E218-F220 PolarHBondContact O-N 3.46Å
221	T	86.1	Confident	89.1	Confident	30 Å²	30	63.8 Å²	63.8	18%	0.184	32%	0.316	C	S	.	.			trans	-126.5	160	178.3	-131.5	0	0	0	0	111.2	N225 L226	T221-N225 HydrophobicContact CG2-CB 4.19Å; T221-L226 HydrophobicContact CG2-CD2 3.8Å; T221-L226 HydrophobicContact CG2-CG 4.33Å
222	T	81.6	Confident	89.1	Confident	35 Å²	35	59 Å²	59	22%	0.215	30%	0.298	C	S	.	.			trans	-88.2	157.3	173.8	52.4	0	0	0	0	110.7	E224 N225	T222-E224 PolarHBondContact O-N 3.09Å; T222-N225 PolarHBondContact O-N 2.67Å; T222-N225 PolarHBondContact OG1-ND2 3.48Å
223	E	77.9	Confident	89.1	Confident	143 Å²	143	60 Å²	60	67%	0.668	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-53.1	-30	-177.3	-68.9	-173.5	168.6	0	0	113.9	N225	E223-N225 VanDerWaalsContact C-N 3.27Å; E223-N225 PolarHBondContact O-N 3.18Å
224	E	78	Confident	89	Confident	181 Å²	181	64.1 Å²	64.1	85%	0.846	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-70	-19.8	179.2	-61.6	174.6	-177.3	0	0	113.7	T222	T222-E224 PolarHBondContact O-N 3.09Å
225	N	82	Confident	89.1	Confident	104 Å²	104	67.3 Å²	67.3	56%	0.556	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-112.7	15.7	-174.9	-66.4	-46	0	0	0	113.1	T221 T222 E223	T221-N225 HydrophobicContact CG2-CB 4.19Å; T222-N225 PolarHBondContact O-N 2.67Å; T222-N225 PolarHBondContact OG1-ND2 3.48Å; E223-N225 VanDerWaalsContact C-N 3.27Å; E223-N225 PolarHBondContact O-N 3.18Å
226	L	87.6	Confident	89.2	Confident	82 Å²	82	67.1 Å²	67.1	43%	0.429	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-67.1	144.6	176.8	-69.8	171.9	0	0	0	111.2	E218 T221	E218-L226 HydrophobicContact CB-CD2 4.14Å; E218-L226 HydrophobicContact CG-CD2 4.2Å; E218-L226 VanDerWaalsContact OE1-CD2 3.29Å; E218-L226 WeakPolarHBondContact OE1-CD2 3.39Å; T221-L226 HydrophobicContact CG2-CD2 3.8Å; T221-L226 HydrophobicContact CG2-CG 4.33Å
227	L	90.8	Very high	89.4	Confident	28 Å²	28	68 Å²	68	15%	0.147	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-73.3	148.8	178.8	-62.1	176.6	0	0	0	110.5	D215 E218 E231 R232	D215-L227 HydrophobicContact CB-CD1 3.53Å; E218-L227 HydrophobicContact CG-CD1 4.19Å; E218-L227 HydrophobicContact CG-CG 4.08Å; E218-L227 PolarHBondContact OE1-N 3.08Å; L227-E231 HydrophobicContact CB-CB 4.2Å; L227-R232 HydrophobicContact CB-CG 3.95Å
228	T	92.5	Very high	89.5	Confident	76 Å²	76	69 Å²	69	47%	0.466	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-66	155.1	169.5	65.3	0	0	0	0	110.5	Q230 E231 R232	T228-Q230 PolarHBondContact O-N 3Å; T228-E231 WeakPolarHBondContact CB-OE2 3.48Å; T228-E231 WeakPolarHBondContact CG2-OE2 3.25Å; T228-E231 PolarHBondContact N-OE2 3.37Å; T228-E231 PolarHBondContact O-N 3.26Å; T228-E231 VanDerWaalsContact O-N 3.11Å; T228-E231 VanDerWaalsContact OG1-CD 3.26Å; T228-E231 VanDerWaalsContact OG1-CG 3.27Å; T228-E231 WeakPolarHBondContact OG1-CG 3.45Å; T228-E231 PolarHBondContact OG1-N 2.98Å; T228-E231 PolarHBondContact OG1-OE2 3.5Å; T228-R232 PolarHBondContact O-N 3.32Å
229	H	91.4	Very high	89.8	Confident	121 Å²	121	68.4 Å²	68.4	56%	0.56	33%	0.334	S	S	*	.	H	α-helix	trans	-54.6	-35.7	173.8	-80.6	-58.3	0	0	0	112.8	P212 T233	P212-H229 HydrophobicContact CB-CB 4.27Å; P212-H229 HydrophobicContact CG-CB 3.92Å; P212-H229 WeakPolarHBondContact CG-ND1 3.48Å; H229-T233 PolarHBondContact O-N 3.11Å; H229-T233 PolarHBondContact O-OG1 3.18Å
230	Q	92.3	Very high	90.1	Very high	164 Å²	164	68.9 Å²	68.9	77%	0.766	34%	0.336	S	S	*	.	H	α-helix	trans	-67.5	-41.6	178.5	-171.3	173	6.1	0	0	112	T228 K234	T228-Q230 PolarHBondContact O-N 3Å; Q230-K234 WeakPolarHBondContact O-CB 3.47Å; Q230-K234 PolarHBondContact O-N 2.84Å
231	E	91.9	Very high	90.4	Very high	89 Å²	89	69.3 Å²	69.3	42%	0.416	34%	0.339	S	S	.	.	H	α-helix	trans	-66.8	-42.2	176.2	-72	162.1	142.6	0	0	111.9	L227 T228 K234 R235	L227-E231 HydrophobicContact CB-CB 4.2Å; T228-E231 WeakPolarHBondContact CB-OE2 3.48Å; T228-E231 WeakPolarHBondContact CG2-OE2 3.25Å; T228-E231 PolarHBondContact N-OE2 3.37Å; T228-E231 PolarHBondContact O-N 3.26Å; T228-E231 VanDerWaalsContact O-N 3.11Å; T228-E231 VanDerWaalsContact OG1-CD 3.26Å; T228-E231 VanDerWaalsContact OG1-CG 3.27Å; T228-E231 WeakPolarHBondContact OG1-CG 3.45Å; T228-E231 PolarHBondContact OG1-N 2.98Å; T228-E231 PolarHBondContact OG1-OE2 3.5Å; E231-K234 PolarHBondContact O-N 3.38Å; E231-R235 WeakPolarHBondContact O-CG 3.47Å; E231-R235 PolarHBondContact O-N 3.27Å
232	R	94.1	Very high	90.8	Very high	41 Å²	41	71.2 Å²	71.2	16%	0.155	35%	0.345	C	S	.	.	H	α-helix	trans	-56.8	-51.8	174.4	-75	-179.9	-177.8	173.2	6.6	111.7	P212 P213 E218 L227 T228 K234 R235 F236	P212-R232 HydrophobicContact CB-CB 3.96Å; P213-R232 WeakPolarHBondContact O-CB 3.39Å; P213-R232 WeakPolarHBondContact O-CD 3.45Å; E218-R232 VanDerWaalsContact CD-NE 3.34Å; E218-R232 IonicContact OE1-CZ 2.84Å; E218-R232 IonicContact OE1-NE 3.69Å; E218-R232 PolarHBondContact OE1-NE 2.9Å; E218-R232 VanDerWaalsContact OE1-NE 3.16Å; E218-R232 IonicContact OE1-NH2 3.73Å; E218-R232 PolarHBondContact OE1-NH2 2.99Å; E218-R232 IonicContact OE2-CZ 2.69Å; E218-R232 IonicContact OE2-NE 2.83Å; E218-R232 PolarHBondContact OE2-NE 3.39Å; E218-R232 IonicContact OE2-NH2 3.81Å; E218-R232 PolarHBondContact OE2-NH2 2.89Å; L227-R232 HydrophobicContact CB-CG 3.95Å; T228-R232 PolarHBondContact O-N 3.32Å; R232-K234 VanDerWaalsContact C-N 3.33Å; R232-K234 PolarHBondContact O-N 3.35Å; R232-R235 PolarHBondContact O-N 3.42Å; R232-F236 WeakPolarHBondContact O-CB 3.42Å; R232-F236 PolarHBondContact O-N 2.82Å
233	T	93.4	Very high	91.5	Very high	57 Å²	57	69.5 Å²	69.5	35%	0.35	34%	0.335	S	S	.	.	H	α-helix	trans	-58.3	-46.2	175.9	-63.2	0	0	0	0	110.7	P212 H229 R235 F236 E237	P212-T233 WeakPolarHBondContact CB-OG1 3.3Å; P212-T233 WeakPolarHBondContact CG-OG1 3.36Å; H229-T233 PolarHBondContact O-N 3.11Å; H229-T233 PolarHBondContact O-OG1 3.18Å; T233-R235 PolarHBondContact O-N 2.65Å; T233-F236 PolarHBondContact O-N 3.15Å; T233-E237 HydrophobicContact CG2-CG 4.2Å; T233-E237 WeakPolarHBondContact O-CB 3.39Å; T233-E237 VanDerWaalsContact O-CG 3.26Å; T233-E237 WeakPolarHBondContact O-CG 3.46Å; T233-E237 PolarHBondContact O-N 3.4Å
234	K	92.2	Very high	92.4	Very high	88 Å²	88	63.3 Å²	63.3	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-59	-48.1	179.2	-173.5	178.5	-179.6	-179.1	0	112.1	Q230 E231 R232 F236 E237 L238	Q230-K234 WeakPolarHBondContact O-CB 3.47Å; Q230-K234 PolarHBondContact O-N 2.84Å; E231-K234 PolarHBondContact O-N 3.38Å; R232-K234 VanDerWaalsContact C-N 3.33Å; R232-K234 PolarHBondContact O-N 3.35Å; K234-F236 PolarHBondContact O-N 3.4Å; K234-E237 PolarHBondContact O-N 2.62Å; K234-L238 HydrophobicContact CG-CD1 4.4Å; K234-L238 VanDerWaalsContact O-CG 3.31Å; K234-L238 WeakPolarHBondContact O-CG 3.41Å; K234-L238 PolarHBondContact O-N 2.82Å
235	R	93.9	Very high	93.2	Very high	97 Å²	97	59.3 Å²	59.3	37%	0.366	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-40.8	179.5	-70.9	-173.6	-176.6	-168.4	1.9	112.1	D215 T217 E231 R232 T233 L238 A239	D215-R235 IonicContact OD1-NH1 2.83Å; D215-R235 PolarHBondContact OD1-NH1 3.04Å; D215-R235 WeakPolarHBondContact OD2-CD 3.41Å; D215-R235 IonicContact OD2-NH1 2.82Å; T217-R235 PolarHBondContact OG1-NH1 3.43Å; T217-R235 VanDerWaalsContact OG1-NH1 3.08Å; E231-R235 WeakPolarHBondContact O-CG 3.47Å; E231-R235 PolarHBondContact O-N 3.27Å; R232-R235 PolarHBondContact O-N 3.42Å; T233-R235 PolarHBondContact O-N 2.65Å; R235-L238 WeakPolarHBondContact O-CB 3.41Å; R235-L238 PolarHBondContact O-N 2.93Å; R235-A239 PolarHBondContact O-N 3.14Å
236	F	95.4	Very high	93.8	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-44.9	175.7	-173.6	-114	0	0	0	112.6	V168 I172 Y202 Y205 M206 P213 R232 T233 K234 L238 A239 Y240	V168-F236 HydrophobicContact CG1-CE2 3.91Å; V168-F236 HydrophobicContact CG1-CZ 4.23Å; V168-F236 HydrophobicContact CG2-CE2 4.13Å; V168-F236 HydrophobicContact CG2-CZ 4.15Å; I172-F236 HydrophobicContact CD1-CD2 4.37Å; I172-F236 HydrophobicContact CD1-CE2 3.44Å; I172-F236 VanDerWaalsContact CD1-CE2 3.44Å; I172-F236 HydrophobicContact CD1-CZ 3.68Å; Y202-F236 HydrophobicContact CD2-CD1 4.17Å; Y202-F236 AromaticContact CD2-CE1 3.39Å; Y202-F236 HydrophobicContact CD2-CE1 3.39Å; Y202-F236 AromaticContact CD2-CZ 3.6Å; Y202-F236 HydrophobicContact CD2-CZ 3.6Å; Y202-F236 AromaticContact CE2-CD1 3.81Å; Y202-F236 HydrophobicContact CE2-CD1 3.81Å; Y202-F236 AromaticContact CE2-CE1 3.36Å; Y202-F236 HydrophobicContact CE2-CE1 3.36Å; Y202-F236 HydrophobicContact CE2-CZ 4.08Å; Y205-F236 AromaticContact CD1-CE1 3.97Å; Y205-F236 HydrophobicContact CD1-CE1 3.97Å; Y205-F236 AromaticContact CD1-CZ 3.81Å; Y205-F236 HydrophobicContact CD1-CZ 3.81Å; Y205-F236 HydrophobicContact CE1-CE1 4.35Å; Y205-F236 HydrophobicContact CE1-CZ 4.34Å; M206-F236 HydrophobicContact CG-CE1 4.47Å; M206-F236 HydrophobicContact SD-CE1 3.93Å; P213-F236 HydrophobicContact CB-CD2 4.45Å; P213-F236 HydrophobicContact CG-CB 3.73Å; P213-F236 HydrophobicContact CG-CD1 3.88Å; P213-F236 HydrophobicContact CG-CD2 3.38Å; P213-F236 HydrophobicContact CG-CE1 4.29Å; P213-F236 HydrophobicContact CG-CE2 3.84Å; P213-F236 HydrophobicContact CG-CG 3.39Å; P213-F236 HydrophobicContact CG-CZ 4.28Å; R232-F236 WeakPolarHBondContact O-CB 3.42Å; R232-F236 PolarHBondContact O-N 2.82Å; T233-F236 PolarHBondContact O-N 3.15Å; K234-F236 PolarHBondContact O-N 3.4Å; F236-L238 VanDerWaalsContact C-N 3.27Å; F236-L238 PolarHBondContact O-N 3.14Å; F236-A239 WeakPolarHBondContact O-CB 3.49Å; F236-A239 PolarHBondContact O-N 2.88Å; F236-Y240 PolarHBondContact O-N 3.39Å; F236-Y240 VanDerWaalsContact O-N 3.09Å
237	E	95.2	Very high	94.2	Very high	27 Å²	27	52.7 Å²	52.7	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-33.2	175.7	-68.8	-62.2	132.7	0	0	112.1	Y202 T233 K234 T241 R270 L274	Y202-E237 PolarHBondContact OH-OE1 2.9Å; Y202-E237 PolarHBondContact OH-OE2 3.22Å; T233-E237 HydrophobicContact CG2-CG 4.2Å; T233-E237 WeakPolarHBondContact O-CB 3.39Å; T233-E237 VanDerWaalsContact O-CG 3.26Å; T233-E237 WeakPolarHBondContact O-CG 3.46Å; T233-E237 PolarHBondContact O-N 3.4Å; K234-E237 PolarHBondContact O-N 2.62Å; E237-T241 WeakPolarHBondContact O-CB 3.37Å; E237-T241 PolarHBondContact O-N 2.98Å; E237-T241 PolarHBondContact O-OG1 3.14Å; E237-R270 PolarHBondContact O-NH2 3.08Å; E237-R270 IonicContact OE2-CZ 3.36Å; E237-R270 VanDerWaalsContact OE2-CZ 3.29Å; E237-R270 IonicContact OE2-NH1 3.58Å; E237-R270 PolarHBondContact OE2-NH1 2.99Å; E237-R270 IonicContact OE2-NH2 3.62Å; E237-R270 PolarHBondContact OE2-NH2 2.95Å; E237-L274 HydrophobicContact CB-CD1 3.9Å; E237-L274 HydrophobicContact CB-CD2 3.89Å; E237-L274 HydrophobicContact CG-CD2 4.48Å
238	L	93.9	Very high	94.4	Very high	57 Å²	57	51.5 Å²	51.5	30%	0.298	24%	0.24	S	C	.	.	H	α-helix	trans	-67.2	-42.1	173	-71.6	172.1	0	0	0	111.9	K234 R235 F236 Y240 T241 H242 L274 Q276	K234-L238 HydrophobicContact CG-CD1 4.4Å; K234-L238 VanDerWaalsContact O-CG 3.31Å; K234-L238 WeakPolarHBondContact O-CG 3.41Å; K234-L238 PolarHBondContact O-N 2.82Å; R235-L238 WeakPolarHBondContact O-CB 3.41Å; R235-L238 PolarHBondContact O-N 2.93Å; F236-L238 VanDerWaalsContact C-N 3.27Å; F236-L238 PolarHBondContact O-N 3.14Å; L238-Y240 VanDerWaalsContact C-N 3.32Å; L238-Y240 PolarHBondContact O-N 2.61Å; L238-T241 PolarHBondContact O-N 2.86Å; L238-H242 PolarHBondContact O-N 2.88Å; L238-L274 HydrophobicContact CD2-CB 4.49Å; L238-L274 HydrophobicContact CD2-CD1 3.83Å; L238-L274 HydrophobicContact CG-CD1 4.26Å; L238-Q276 HydrophobicContact CD1-CG 4.43Å; L238-Q276 HydrophobicContact CD2-CB 3.83Å; L238-Q276 HydrophobicContact CD2-CG 3.78Å
239	A	95.2	Very high	94.5	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-44.4	175.8	0	0	0	0	0	111.5	I172 H173 N176 R235 F236 H242 T243	I172-A239 HydrophobicContact CG2-CB 4.15Å; H173-A239 WeakPolarHBondContact NE2-CB 3.33Å; N176-A239 PolarHBondContact ND2-O 3.08Å; R235-A239 PolarHBondContact O-N 3.14Å; F236-A239 WeakPolarHBondContact O-CB 3.49Å; F236-A239 PolarHBondContact O-N 2.88Å; A239-H242 VanDerWaalsContact O-CB 3.27Å; A239-H242 WeakPolarHBondContact O-CB 3.43Å; A239-H242 PolarHBondContact O-N 3.03Å; A239-T243 PolarHBondContact O-N 3.09Å; A239-T243 VanDerWaalsContact O-N 3.13Å; A239-T243 PolarHBondContact O-OG1 3.36Å
240	Y	96.5	Very high	94.7	Very high	16 Å²	16	45.7 Å²	45.7	6%	0.063	21%	0.208	C	C	.	.	H	α-helix	trans	-68.9	-36.6	175.8	-179.2	-122.3	0	0	0	113	E199 Y202 F236 L238 H242 T243 M244 R270	E199-Y240 HydrophobicContact CB-CE2 4.15Å; E199-Y240 HydrophobicContact CG-CE2 4.03Å; E199-Y240 PolarHBondContact OE1-OH 3.49Å; Y202-Y240 AromaticContact CD1-CD1 3.49Å; Y202-Y240 HydrophobicContact CD1-CD1 3.49Å; Y202-Y240 VanDerWaalsContact CD1-CD1 3.49Å; Y202-Y240 AromaticContact CD1-CD2 3.53Å; Y202-Y240 HydrophobicContact CD1-CD2 3.53Å; Y202-Y240 AromaticContact CD1-CE1 3.46Å; Y202-Y240 HydrophobicContact CD1-CE1 3.46Å; Y202-Y240 VanDerWaalsContact CD1-CE1 3.46Å; Y202-Y240 AromaticContact CD1-CE2 3.48Å; Y202-Y240 HydrophobicContact CD1-CE2 3.48Å; Y202-Y240 VanDerWaalsContact CD1-CE2 3.48Å; Y202-Y240 AromaticContact CD1-CG 3.54Å; Y202-Y240 HydrophobicContact CD1-CG 3.54Å; Y202-Y240 AromaticContact CD1-CZ 3.43Å; Y202-Y240 VanDerWaalsContact CD1-CZ 3.43Å; Y202-Y240 VanDerWaalsContact CD2-CB 3.5Å; Y202-Y240 HydrophobicContact CD2-CD1 4.04Å; Y202-Y240 AromaticContact CD2-CD2 3.91Å; Y202-Y240 HydrophobicContact CD2-CD2 3.91Å; Y202-Y240 AromaticContact CD2-CG 3.54Å; Y202-Y240 HydrophobicContact CD2-CG 3.54Å; Y202-Y240 AromaticContact CE1-CD1 3.21Å; Y202-Y240 HydrophobicContact CE1-CD1 3.21Å; Y202-Y240 HydrophobicContact CE1-CD2 4.17Å; Y202-Y240 AromaticContact CE1-CE1 3.25Å; Y202-Y240 HydrophobicContact CE1-CE1 3.25Å; Y202-Y240 HydrophobicContact CE1-CE2 4.18Å; Y202-Y240 AromaticContact CE1-CG 3.72Å; Y202-Y240 HydrophobicContact CE1-CG 3.72Å; Y202-Y240 AromaticContact CE1-CZ 3.74Å; Y202-Y240 AromaticContact CE2-CD1 3.78Å; Y202-Y240 HydrophobicContact CE2-CD1 3.78Å; Y202-Y240 HydrophobicContact CE2-CD2 4.48Å; Y202-Y240 AromaticContact CE2-CG 3.7Å; Y202-Y240 HydrophobicContact CE2-CG 3.7Å; Y202-Y240 AromaticContact CG-CD1 3.9Å; Y202-Y240 HydrophobicContact CG-CD1 3.9Å; Y202-Y240 AromaticContact CG-CD2 3.38Å; Y202-Y240 HydrophobicContact CG-CD2 3.38Å; Y202-Y240 HydrophobicContact CG-CE1 4.27Å; Y202-Y240 AromaticContact CG-CE2 3.77Å; Y202-Y240 HydrophobicContact CG-CE2 3.77Å; Y202-Y240 AromaticContact CG-CG 3.45Å; Y202-Y240 HydrophobicContact CG-CG 3.45Å; Y202-Y240 VanDerWaalsContact CG-CG 3.45Å; Y202-Y240 AromaticContact CZ-CD1 3.37Å; Y202-Y240 AromaticContact CZ-CE1 3.9Å; Y202-Y240 AromaticContact CZ-CG 3.79Å; F236-Y240 PolarHBondContact O-N 3.39Å; F236-Y240 VanDerWaalsContact O-N 3.09Å; L238-Y240 VanDerWaalsContact C-N 3.32Å; L238-Y240 PolarHBondContact O-N 2.61Å; Y240-H242 PolarHBondContact O-N 3.27Å; Y240-T243 WeakPolarHBondContact O-CA 3.45Å; Y240-T243 VanDerWaalsContact O-CB 3.25Å; Y240-T243 WeakPolarHBondContact O-CB 3.33Å; Y240-T243 PolarHBondContact O-N 3.26Å; Y240-T243 VanDerWaalsContact O-N 3.08Å; Y240-M244 HydrophobicContact CD1-SD 4.28Å; Y240-M244 HydrophobicContact CE1-CG 4.17Å; Y240-M244 HydrophobicContact CE1-SD 3.66Å; Y240-M244 HydrophobicContact CE2-CG 4.21Å; Y240-M244 WeakPolarHBondContact O-CG 3.47Å; Y240-M244 PolarHBondContact O-N 2.9Å; Y240-R270 VanDerWaalsContact CD1-CZ 3.48Å
241	T	95.7	Very high	94.8	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.055	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-35.9	173.4	-54.4	0	0	0	0	111.2	E237 L238 M244 Y245 T267 R270 Q271	E237-T241 WeakPolarHBondContact O-CB 3.37Å; E237-T241 PolarHBondContact O-N 2.98Å; E237-T241 PolarHBondContact O-OG1 3.14Å; L238-T241 PolarHBondContact O-N 2.86Å; T241-M244 PolarHBondContact O-N 3.38Å; T241-Y245 WeakPolarHBondContact O-CB 3.37Å; T241-Y245 PolarHBondContact O-N 3.13Å; T241-T267 HydrophobicContact CG2-CG2 4.07Å; T241-R270 HydrophobicContact CG2-CB 4.07Å; T241-R270 PolarHBondContact OG1-NE 3.24Å; T241-R270 PolarHBondContact OG1-NH2 3.44Å; T241-Q271 HydrophobicContact CG2-CG 4.2Å
242	H	94.6	Very high	94.8	Very high	70 Å²	70	40.2 Å²	40.2	32%	0.324	18%	0.18	S	C	.	.	H	α-helix	trans	-64.4	-42.2	173.2	-156.3	72.4	0	0	0	111.9	I180 L238 A239 Y240 M244 Y245 Y246	I180-H242 WeakPolarHBondContact CD1-NE2 3.29Å; L238-H242 PolarHBondContact O-N 2.88Å; A239-H242 VanDerWaalsContact O-CB 3.27Å; A239-H242 WeakPolarHBondContact O-CB 3.43Å; A239-H242 PolarHBondContact O-N 3.03Å; Y240-H242 PolarHBondContact O-N 3.27Å; H242-M244 PolarHBondContact O-N 2.9Å; H242-Y245 PolarHBondContact O-N 3.43Å; H242-Y246 AromaticContact CD2-CD2 3.96Å; H242-Y246 AromaticContact CD2-CE2 3.74Å; H242-Y246 AromaticContact CE1-CE2 3.45Å; H242-Y246 VanDerWaalsContact CE1-CE2 3.45Å; H242-Y246 WeakPolarHBondContact CE1-CE2 3.48Å; H242-Y246 AromaticContact ND1-CE2 3.84Å; H242-Y246 AromaticContact NE2-CE2 3.37Å; H242-Y246 WeakPolarHBondContact NE2-CE2 3.46Å; H242-Y246 WeakPolarHBondContact O-CD2 3.05Å; H242-Y246 PolarHBondContact O-N 3Å; H242-Y246 VanDerWaalsContact O-N 3.12Å
243	T	97.3	Very high	94.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55	-50.9	172.8	-49.8	0	0	0	0	111.1	N176 L195 A198 E199 A239 Y240 Y245 Y246 L247	N176-T243 PolarHBondContact ND2-OG1 2.92Å; N176-T243 WeakPolarHBondContact OD1-CB 3.46Å; N176-T243 PolarHBondContact OD1-OG1 3.02Å; L195-T243 HydrophobicContact CD2-CG2 4.35Å; L195-T243 WeakPolarHBondContact O-CG2 3.41Å; A198-T243 HydrophobicContact CB-CG2 3.77Å; E199-T243 HydrophobicContact CB-CG2 4.35Å; A239-T243 PolarHBondContact O-N 3.09Å; A239-T243 VanDerWaalsContact O-N 3.13Å; A239-T243 PolarHBondContact O-OG1 3.36Å; Y240-T243 WeakPolarHBondContact O-CA 3.45Å; Y240-T243 VanDerWaalsContact O-CB 3.25Å; Y240-T243 WeakPolarHBondContact O-CB 3.33Å; Y240-T243 PolarHBondContact O-N 3.26Å; Y240-T243 VanDerWaalsContact O-N 3.08Å; T243-Y245 VanDerWaalsContact C-N 3.35Å; T243-Y245 PolarHBondContact O-N 3.07Å; T243-Y246 PolarHBondContact O-N 3.37Å; T243-L247 HydrophobicContact CG2-CD1 4.06Å; T243-L247 WeakPolarHBondContact O-CG 3.35Å; T243-L247 PolarHBondContact O-N 3.12Å
244	M	95.9	Very high	94.7	Very high	13 Å²	13	42.9 Å²	42.9	6%	0.064	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-40.5	-180	-62.2	-170	84.2	0	0	112.5	Y240 T241 H242 Y246 L247 A248 Y263 R270	Y240-M244 HydrophobicContact CD1-SD 4.28Å; Y240-M244 HydrophobicContact CE1-CG 4.17Å; Y240-M244 HydrophobicContact CE1-SD 3.66Å; Y240-M244 HydrophobicContact CE2-CG 4.21Å; Y240-M244 WeakPolarHBondContact O-CG 3.47Å; Y240-M244 PolarHBondContact O-N 2.9Å; T241-M244 PolarHBondContact O-N 3.38Å; H242-M244 PolarHBondContact O-N 2.9Å; M244-Y246 PolarHBondContact O-N 3.41Å; M244-L247 PolarHBondContact O-N 3.47Å; M244-A248 PolarHBondContact O-N 3.3Å; M244-Y263 HydrophobicContact CB-CD1 4.12Å; M244-Y263 HydrophobicContact CE-CD1 3.82Å; M244-Y263 HydrophobicContact CE-CE1 4.18Å; M244-Y263 HydrophobicContact CG-CD1 4.33Å; M244-R270 WeakPolarHBondContact SD-CD 3.34Å
245	Y	94.7	Very high	94.7	Very high	96 Å²	96	41 Å²	41	38%	0.376	20%	0.2	S	C	.	.	H	α-helix	trans	-59.9	-44.5	177.7	174.3	-107.9	0	0	0	112.1	T241 H242 T243 A248 Q249 T267	T241-Y245 WeakPolarHBondContact O-CB 3.37Å; T241-Y245 PolarHBondContact O-N 3.13Å; H242-Y245 PolarHBondContact O-N 3.43Å; T243-Y245 VanDerWaalsContact C-N 3.35Å; T243-Y245 PolarHBondContact O-N 3.07Å; Y245-A248 WeakPolarHBondContact O-CB 3.24Å; Y245-A248 PolarHBondContact O-N 3.39Å; Y245-Q249 PolarHBondContact O-N 3.46Å; Y245-Q249 PolarHBondContact OH-NE2 3.43Å; Y245-T267 HydrophobicContact CD2-CG2 4.21Å; Y245-T267 PolarHBondContact N-OG1 3.37Å
246	Y	95.4	Very high	94.7	Very high	47 Å²	47	40.2 Å²	40.2	18%	0.184	20%	0.201	C	C	.	.	H	α-helix	trans	-77.3	-30.8	178.1	-76.4	-73.7	0	0	0	113.3	I180 H242 T243 M244 A248 Q249 V250	I180-Y246 HydrophobicContact CB-CE1 4.46Å; I180-Y246 HydrophobicContact CD1-CD2 3.71Å; I180-Y246 HydrophobicContact CD1-CE1 4.36Å; I180-Y246 HydrophobicContact CD1-CE2 3.29Å; I180-Y246 HydrophobicContact CD1-CG 4.4Å; I180-Y246 HydrophobicContact CG1-CD1 3.81Å; I180-Y246 HydrophobicContact CG1-CD2 3.54Å; I180-Y246 HydrophobicContact CG1-CE1 3.71Å; I180-Y246 HydrophobicContact CG1-CE2 3.44Å; I180-Y246 VanDerWaalsContact CG1-CE2 3.44Å; I180-Y246 HydrophobicContact CG1-CG 3.73Å; I180-Y246 HydrophobicContact CG2-CE1 4.18Å; H242-Y246 AromaticContact CD2-CD2 3.96Å; H242-Y246 AromaticContact CD2-CE2 3.74Å; H242-Y246 AromaticContact CE1-CE2 3.45Å; H242-Y246 VanDerWaalsContact CE1-CE2 3.45Å; H242-Y246 WeakPolarHBondContact CE1-CE2 3.48Å; H242-Y246 AromaticContact ND1-CE2 3.84Å; H242-Y246 AromaticContact NE2-CE2 3.37Å; H242-Y246 WeakPolarHBondContact NE2-CE2 3.46Å; H242-Y246 WeakPolarHBondContact O-CD2 3.05Å; H242-Y246 PolarHBondContact O-N 3Å; H242-Y246 VanDerWaalsContact O-N 3.12Å; T243-Y246 PolarHBondContact O-N 3.37Å; M244-Y246 PolarHBondContact O-N 3.41Å; Y246-A248 PolarHBondContact O-N 2.99Å; Y246-Q249 PolarHBondContact O-N 3.32Å; Y246-Q249 VanDerWaalsContact O-N 3.13Å; Y246-V250 WeakPolarHBondContact O-CG2 3.31Å; Y246-V250 PolarHBondContact O-N 3.11Å
247	L	96.9	Very high	94.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.1	-40	168.7	-77.6	170.6	0	0	0	110.9	L195 E196 E199 T243 M244 Q249 V250 Y251 Y263	L195-L247 HydrophobicContact CB-CD2 3.38Å; L195-L247 HydrophobicContact CB-CG 3.73Å; L195-L247 HydrophobicContact CD1-CD2 4.35Å; L195-L247 HydrophobicContact CD1-CG 4.49Å; E196-L247 HydrophobicContact CG-CD2 4.06Å; E199-L247 HydrophobicContact CB-CD1 4.13Å; T243-L247 HydrophobicContact CG2-CD1 4.06Å; T243-L247 WeakPolarHBondContact O-CG 3.35Å; T243-L247 PolarHBondContact O-N 3.12Å; M244-L247 PolarHBondContact O-N 3.47Å; L247-Q249 VanDerWaalsContact C-N 3.31Å; L247-Q249 PolarHBondContact O-N 2.94Å; L247-V250 PolarHBondContact O-N 3.06Å; L247-Y251 HydrophobicContact CB-CD2 4.33Å; L247-Y251 HydrophobicContact CB-CE2 4.16Å; L247-Y251 HydrophobicContact CD2-CE2 3.89Å; L247-Y251 WeakPolarHBondContact O-CD2 3.44Å; L247-Y251 PolarHBondContact O-N 3.09Å; L247-Y263 HydrophobicContact CB-CD1 3.94Å; L247-Y263 HydrophobicContact CB-CD2 4.13Å; L247-Y263 HydrophobicContact CB-CE1 3.99Å; L247-Y263 HydrophobicContact CB-CE2 4.2Å; L247-Y263 HydrophobicContact CB-CG 4.01Å; L247-Y263 HydrophobicContact CD1-CD1 4.23Å; L247-Y263 HydrophobicContact CD1-CE1 3.55Å; L247-Y263 HydrophobicContact CG-CE1 4.39Å
248	A	94.6	Very high	94.4	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-42.6	175.5	0	0	0	0	0	112.5	M244 Y245 Y246 K252 A260	M244-A248 PolarHBondContact O-N 3.3Å; Y245-A248 WeakPolarHBondContact O-CB 3.24Å; Y245-A248 PolarHBondContact O-N 3.39Å; Y246-A248 PolarHBondContact O-N 2.99Å; A248-K252 WeakPolarHBondContact O-CB 3.27Å; A248-K252 PolarHBondContact O-N 2.94Å; A248-A260 WeakPolarHBondContact O-CB 3.46Å
249	Q	93.3	Very high	94.3	Very high	73 Å²	73	49.8 Å²	49.8	34%	0.341	24%	0.243	S	C	.	.	H	α-helix	trans	-69.2	-44.5	178.4	-66.1	-178.3	56.9	0	0	112.2	Y245 Y246 L247 K252 N253	Y245-Q249 PolarHBondContact O-N 3.46Å; Y245-Q249 PolarHBondContact OH-NE2 3.43Å; Y246-Q249 PolarHBondContact O-N 3.32Å; Y246-Q249 VanDerWaalsContact O-N 3.13Å; L247-Q249 VanDerWaalsContact C-N 3.31Å; L247-Q249 PolarHBondContact O-N 2.94Å; Q249-K252 WeakPolarHBondContact O-CB 3.45Å; Q249-K252 PolarHBondContact O-N 3.21Å; Q249-N253 PolarHBondContact O-N 3.17Å; Q249-N253 PolarHBondContact O-OD1 3.02Å
250	V	95.3	Very high	94.3	Very high	1 Å²	1	50 Å²	50	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-49.7	176.8	163.5	0	0	0	0	110.7	A183 T188 A191 Q192 L195 Y246 L247 K252 N253 L254	A183-V250 HydrophobicContact CB-CG2 4.3Å; T188-V250 HydrophobicContact CG2-CB 4.48Å; T188-V250 HydrophobicContact CG2-CG1 4.07Å; A191-V250 HydrophobicContact CB-CG2 3.89Å; Q192-V250 HydrophobicContact CB-CG1 3.63Å; Q192-V250 HydrophobicContact CG-CG1 4.16Å; L195-V250 HydrophobicContact CD1-CG2 3.82Å; Y246-V250 WeakPolarHBondContact O-CG2 3.31Å; Y246-V250 PolarHBondContact O-N 3.11Å; L247-V250 PolarHBondContact O-N 3.06Å; V250-K252 VanDerWaalsContact C-N 3.3Å; V250-K252 PolarHBondContact O-N 3.34Å; V250-N253 PolarHBondContact O-N 3.31Å; V250-N253 VanDerWaalsContact O-N 3.14Å; V250-L254 HydrophobicContact CG1-CD1 3.92Å; V250-L254 WeakPolarHBondContact O-CG 3.44Å; V250-L254 PolarHBondContact O-N 3.27Å
251	Y	95.5	Very high	94	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-33.4	177.8	-74.8	-54.8	0	0	0	113.5	Q192 E196 L247 N253 L254 G255 E256 R259 Y263	Q192-Y251 HydrophobicContact CG-CE1 4.28Å; E196-Y251 VanDerWaalsContact CG-OH 3.3Å; E196-Y251 WeakPolarHBondContact CG-OH 3.5Å; E196-Y251 PolarHBondContact OE1-OH 2.85Å; L247-Y251 HydrophobicContact CB-CD2 4.33Å; L247-Y251 HydrophobicContact CB-CE2 4.16Å; L247-Y251 HydrophobicContact CD2-CE2 3.89Å; L247-Y251 WeakPolarHBondContact O-CD2 3.44Å; L247-Y251 PolarHBondContact O-N 3.09Å; Y251-N253 VanDerWaalsContact C-N 3.35Å; Y251-L254 HydrophobicContact CD1-CD1 4.21Å; Y251-L254 HydrophobicContact CE1-CD1 4.36Å; Y251-L254 PolarHBondContact O-N 2.98Å; Y251-G255 PolarHBondContact O-N 3Å; Y251-E256 HydrophobicContact CD1-CB 3.98Å; Y251-E256 HydrophobicContact CD1-CG 4.41Å; Y251-E256 WeakPolarHBondContact CD1-OE2 3.4Å; Y251-E256 HydrophobicContact CG-CB 4.47Å; Y251-E256 CarbonylContact O-C 3.59Å; Y251-E256 WeakPolarHBondContact O-CA 3.42Å; Y251-E256 PolarHBondContact O-N 3.44Å; Y251-R259 HydrophobicContact CD1-CB 4.39Å; Y251-R259 HydrophobicContact CD2-CB 4.14Å; Y251-R259 HydrophobicContact CG-CB 3.98Å; Y251-R259 VanDerWaalsContact OH-CZ 3.29Å; Y251-R259 PolarHBondContact OH-NH1 3.07Å; Y251-R259 PolarHBondContact OH-NH2 3.22Å; Y251-Y263 AromaticContact CD2-CD2 3.59Å; Y251-Y263 HydrophobicContact CD2-CD2 3.59Å; Y251-Y263 AromaticContact CD2-CE2 3.48Å; Y251-Y263 HydrophobicContact CD2-CE2 3.48Å; Y251-Y263 VanDerWaalsContact CD2-CE2 3.48Å; Y251-Y263 AromaticContact CE2-CD2 3.9Å; Y251-Y263 HydrophobicContact CE2-CD2 3.9Å; Y251-Y263 AromaticContact CE2-CE2 3.29Å; Y251-Y263 HydrophobicContact CE2-CE2 3.29Å
252	K	92.9	Very high	93.8	Very high	138 Å²	138	53.2 Å²	53.2	60%	0.6	27%	0.266	S	S	*	.	H	α-helix	trans	-62	-45.3	173.4	-176.7	-175.6	174.8	-172.3	0	110.6	A248 Q249 V250 L254 G255 A260	A248-K252 WeakPolarHBondContact O-CB 3.27Å; A248-K252 PolarHBondContact O-N 2.94Å; Q249-K252 WeakPolarHBondContact O-CB 3.45Å; Q249-K252 PolarHBondContact O-N 3.21Å; V250-K252 VanDerWaalsContact C-N 3.3Å; V250-K252 PolarHBondContact O-N 3.34Å; K252-L254 VanDerWaalsContact C-N 3.32Å; K252-L254 PolarHBondContact O-N 2.69Å; K252-G255 PolarHBondContact O-N 2.83Å; K252-G255 VanDerWaalsContact O-N 3.09Å; K252-A260 HydrophobicContact CB-CB 4.01Å
253	N	91.6	Very high	93.9	Very high	98 Å²	98	51 Å²	51	52%	0.524	26%	0.255	S	S	.	.	H	α-helix	trans	-68.5	-30.2	179.7	-70.2	0.7	0	0	0	112.7	T188 Q249 V250 Y251 G255	T188-N253 HydrophobicContact CG2-CB 3.71Å; Q249-N253 PolarHBondContact O-N 3.17Å; Q249-N253 PolarHBondContact O-OD1 3.02Å; V250-N253 PolarHBondContact O-N 3.31Å; V250-N253 VanDerWaalsContact O-N 3.14Å; Y251-N253 VanDerWaalsContact C-N 3.35Å; N253-G255 PolarHBondContact O-N 3.41Å
254	L	92.6	Very high	93.7	Very high	57 Å²	57	53.3 Å²	53.3	30%	0.298	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-4.8	172	-65.6	169.3	0	0	0	113.6	T188 E189 Q192 V250 Y251 K252 E256	T188-L254 HydrophobicContact CG2-CD1 4.44Å; T188-L254 HydrophobicContact CG2-CD2 3.88Å; T188-L254 HydrophobicContact CG2-CG 3.75Å; E189-L254 HydrophobicContact CG-CD2 4.36Å; Q192-L254 HydrophobicContact CB-CD1 4.5Å; Q192-L254 HydrophobicContact CG-CD1 4.49Å; V250-L254 HydrophobicContact CG1-CD1 3.92Å; V250-L254 WeakPolarHBondContact O-CG 3.44Å; V250-L254 PolarHBondContact O-N 3.27Å; Y251-L254 HydrophobicContact CD1-CD1 4.21Å; Y251-L254 HydrophobicContact CE1-CD1 4.36Å; Y251-L254 PolarHBondContact O-N 2.98Å; K252-L254 VanDerWaalsContact C-N 3.32Å; K252-L254 PolarHBondContact O-N 2.69Å; L254-E256 VanDerWaalsContact C-N 3.27Å; L254-E256 PolarHBondContact O-N 2.94Å
255	G	92.3	Very high	93.5	Very high	47 Å²	47	53.9 Å²	53.9	49%	0.485	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	2.3	-176.2	0	0	0	0	0	114.7	Y251 K252 N253 N257	Y251-G255 PolarHBondContact O-N 3Å; K252-G255 PolarHBondContact O-N 2.83Å; K252-G255 VanDerWaalsContact O-N 3.09Å; N253-G255 PolarHBondContact O-N 3.41Å; G255-N257 PolarHBondContact O-N 2.91Å; G255-N257 PolarHBondContact O-ND2 3.37Å
256	E	93.8	Very high	93.4	Very high	81 Å²	81	50.9 Å²	50.9	38%	0.379	27%	0.267	S	S	.	.			trans	-78.8	61	176	-64.2	-165.9	-177.2	0	0	111.6	Y251 L254 E258 R259 A260	Y251-E256 HydrophobicContact CD1-CB 3.98Å; Y251-E256 HydrophobicContact CD1-CG 4.41Å; Y251-E256 WeakPolarHBondContact CD1-OE2 3.4Å; Y251-E256 HydrophobicContact CG-CB 4.47Å; Y251-E256 CarbonylContact O-C 3.59Å; Y251-E256 WeakPolarHBondContact O-CA 3.42Å; Y251-E256 PolarHBondContact O-N 3.44Å; L254-E256 VanDerWaalsContact C-N 3.27Å; L254-E256 PolarHBondContact O-N 2.94Å; E256-E258 PolarHBondContact O-N 2.95Å; E256-E258 VanDerWaalsContact O-N 3.11Å; E256-R259 PolarHBondContact O-N 3.24Å; E256-R259 VanDerWaalsContact O-N 3.17Å; E256-R259 WeakPolarHBondContact OE2-CD 3.45Å; E256-R259 IonicContact OE2-CZ 3.73Å; E256-R259 IonicContact OE2-NE 3.8Å; E256-R259 IonicContact OE2-NH1 3.94Å; E256-R259 PolarHBondContact OE2-NH1 2.89Å; E256-A260 PolarHBondContact O-N 3.21Å
257	N	92.3	Very high	93.3	Very high	81 Å²	81	48.8 Å²	48.8	43%	0.433	26%	0.259	S	S	.	.	H	α-helix	trans	-57.5	-31	-171.5	-66.6	-57.1	0	0	0	114.4	G255 A261 Y292	G255-N257 PolarHBondContact O-N 2.91Å; G255-N257 PolarHBondContact O-ND2 3.37Å; N257-A261 WeakPolarHBondContact O-CB 3.47Å; N257-A261 PolarHBondContact O-N 3.11Å; N257-Y292 HydrophobicContact CB-CE2 3.89Å
258	E	91.6	Very high	93.1	Very high	122 Å²	122	49.1 Å²	49.1	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-68	-46.9	177.8	-81	-178.9	-171.2	0	0	112.8	E256 A261 T262 Y292	E256-E258 PolarHBondContact O-N 2.95Å; E256-E258 VanDerWaalsContact O-N 3.11Å; E258-A261 PolarHBondContact O-N 2.96Å; E258-T262 PolarHBondContact O-N 3.22Å; E258-T262 VanDerWaalsContact O-N 3.1Å; E258-T262 PolarHBondContact O-OG1 3.01Å; E258-Y292 WeakPolarHBondContact CA-OH 3.46Å; E258-Y292 WeakPolarHBondContact CG-OH 3.36Å
259	R	92.6	Very high	93	Very high	89 Å²	89	50.6 Å²	50.6	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-65.4	-43.2	175.8	-70.9	177.7	82.6	-173.4	0.2	110.5	E196 Y251 E256 A261 T262 Y263	E196-R259 IonicContact OE1-NH2 3.93Å; E196-R259 PolarHBondContact OE1-NH2 3.32Å; Y251-R259 HydrophobicContact CD1-CB 4.39Å; Y251-R259 HydrophobicContact CD2-CB 4.14Å; Y251-R259 HydrophobicContact CG-CB 3.98Å; Y251-R259 VanDerWaalsContact OH-CZ 3.29Å; Y251-R259 PolarHBondContact OH-NH1 3.07Å; Y251-R259 PolarHBondContact OH-NH2 3.22Å; E256-R259 PolarHBondContact O-N 3.24Å; E256-R259 VanDerWaalsContact O-N 3.17Å; E256-R259 WeakPolarHBondContact OE2-CD 3.45Å; E256-R259 IonicContact OE2-CZ 3.73Å; E256-R259 IonicContact OE2-NE 3.8Å; E256-R259 IonicContact OE2-NH1 3.94Å; E256-R259 PolarHBondContact OE2-NH1 2.89Å; R259-A261 VanDerWaalsContact C-N 3.29Å; R259-A261 PolarHBondContact O-N 2.74Å; R259-T262 PolarHBondContact O-N 2.64Å; R259-T262 VanDerWaalsContact O-N 3.09Å; R259-Y263 VanDerWaalsContact O-CD2 3.24Å; R259-Y263 WeakPolarHBondContact O-CD2 3.26Å; R259-Y263 PolarHBondContact O-N 3.04Å
260	A	94.6	Very high	92.9	Very high	7 Å²	7	48.6 Å²	48.6	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-53.5	-47.3	175.7	0	0	0	0	0	111.7	A248 K252 E256 T262 Y263 C264	A248-A260 WeakPolarHBondContact O-CB 3.46Å; K252-A260 HydrophobicContact CB-CB 4.01Å; E256-A260 PolarHBondContact O-N 3.21Å; A260-T262 PolarHBondContact O-N 2.95Å; A260-Y263 PolarHBondContact O-N 3.37Å; A260-C264 WeakPolarHBondContact O-CB 3.5Å; A260-C264 PolarHBondContact O-N 2.88Å; A260-C264 PolarHBondContact O-SG 3.24Å; A260-C264 VanDerWaalsContact O-SG 3.38Å
261	A	91.3	Very high	92.7	Very high	6 Å²	6	50.5 Å²	50.5	5%	0.05	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-39.5	177.2	0	0	0	0	0	113.1	N257 E258 R259 C264 H265 L289 Y292	N257-A261 WeakPolarHBondContact O-CB 3.47Å; N257-A261 PolarHBondContact O-N 3.11Å; E258-A261 PolarHBondContact O-N 2.96Å; R259-A261 VanDerWaalsContact C-N 3.29Å; R259-A261 PolarHBondContact O-N 2.74Å; A261-C264 PolarHBondContact O-N 3.47Å; A261-H265 WeakPolarHBondContact O-CB 3.34Å; A261-H265 PolarHBondContact O-N 2.71Å; A261-L289 HydrophobicContact CB-CD1 3.97Å; A261-Y292 HydrophobicContact CB-CD1 3.34Å; A261-Y292 HydrophobicContact CB-CE1 3.18Å; A261-Y292 HydrophobicContact CB-CG 4.1Å
262	T	91.5	Very high	92.3	Very high	87 Å²	87	51.5 Å²	51.5	53%	0.534	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-42.2	175.2	-65.4	0	0	0	0	112.1	E258 R259 A260 H265 S266	E258-T262 PolarHBondContact O-N 3.22Å; E258-T262 VanDerWaalsContact O-N 3.1Å; E258-T262 PolarHBondContact O-OG1 3.01Å; R259-T262 PolarHBondContact O-N 2.64Å; R259-T262 VanDerWaalsContact O-N 3.09Å; A260-T262 PolarHBondContact O-N 2.95Å; T262-H265 PolarHBondContact O-N 3.29Å; T262-S266 WeakPolarHBondContact O-CB 3.03Å; T262-S266 PolarHBondContact O-N 3.48Å; T262-S266 PolarHBondContact O-OG 3.38Å
263	Y	94.9	Very high	92.1	Very high	23 Å²	23	51 Å²	51	9%	0.09	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-39.5	174.7	-77.3	-72.2	0	0	0	112.1	E199 M244 L247 Y251 R259 A260 S266 T267	E199-Y263 WeakPolarHBondContact OE1-CE1 3.41Å; E199-Y263 PolarHBondContact OE1-OH 3.47Å; E199-Y263 PolarHBondContact OE2-OH 3.37Å; M244-Y263 HydrophobicContact CB-CD1 4.12Å; M244-Y263 HydrophobicContact CE-CD1 3.82Å; M244-Y263 HydrophobicContact CE-CE1 4.18Å; M244-Y263 HydrophobicContact CG-CD1 4.33Å; L247-Y263 HydrophobicContact CB-CD1 3.94Å; L247-Y263 HydrophobicContact CB-CD2 4.13Å; L247-Y263 HydrophobicContact CB-CE1 3.99Å; L247-Y263 HydrophobicContact CB-CE2 4.2Å; L247-Y263 HydrophobicContact CB-CG 4.01Å; L247-Y263 HydrophobicContact CD1-CD1 4.23Å; L247-Y263 HydrophobicContact CD1-CE1 3.55Å; L247-Y263 HydrophobicContact CG-CE1 4.39Å; Y251-Y263 AromaticContact CD2-CD2 3.59Å; Y251-Y263 HydrophobicContact CD2-CD2 3.59Å; Y251-Y263 AromaticContact CD2-CE2 3.48Å; Y251-Y263 HydrophobicContact CD2-CE2 3.48Å; Y251-Y263 VanDerWaalsContact CD2-CE2 3.48Å; Y251-Y263 AromaticContact CE2-CD2 3.9Å; Y251-Y263 HydrophobicContact CE2-CD2 3.9Å; Y251-Y263 AromaticContact CE2-CE2 3.29Å; Y251-Y263 HydrophobicContact CE2-CE2 3.29Å; R259-Y263 VanDerWaalsContact O-CD2 3.24Å; R259-Y263 WeakPolarHBondContact O-CD2 3.26Å; R259-Y263 PolarHBondContact O-N 3.04Å; A260-Y263 PolarHBondContact O-N 3.37Å; Y263-S266 PolarHBondContact O-N 2.89Å; Y263-T267 VanDerWaalsContact O-CB 3.28Å; Y263-T267 WeakPolarHBondContact O-CB 3.46Å; Y263-T267 PolarHBondContact O-N 3.41Å; Y263-T267 PolarHBondContact O-OG1 3.22Å
264	C	94.1	Very high	91.8	Very high	50 Å²	50	47.9 Å²	47.9	34%	0.338	25%	0.253	S	S	.	.	H	α-helix	trans	-57.8	-50.5	172.2	-76.9	0	0	0	0	111.3	A260 A261 S266 T267 L268 L289	A260-C264 WeakPolarHBondContact O-CB 3.5Å; A260-C264 PolarHBondContact O-N 2.88Å; A260-C264 PolarHBondContact O-SG 3.24Å; A260-C264 VanDerWaalsContact O-SG 3.38Å; A261-C264 PolarHBondContact O-N 3.47Å; C264-S266 PolarHBondContact O-N 2.98Å; C264-T267 WeakPolarHBondContact O-CB 3.41Å; C264-T267 PolarHBondContact O-N 2.92Å; C264-L268 WeakPolarHBondContact O-CG 3.44Å; C264-L268 PolarHBondContact O-N 3.34Å; C264-L289 HydrophobicContact CB-CD1 4.01Å; C264-L289 HydrophobicContact CB-CD2 4.33Å
265	H	92.4	Very high	91.5	Very high	24 Å²	24	49.7 Å²	49.7	11%	0.111	27%	0.271	C	S	.	.	H	α-helix	trans	-56.6	-51.6	177.6	179.1	97.1	0	0	0	111.3	A261 T262 T267 L268 Q269 L289 F400	A261-H265 WeakPolarHBondContact O-CB 3.34Å; A261-H265 PolarHBondContact O-N 2.71Å; T262-H265 PolarHBondContact O-N 3.29Å; H265-T267 VanDerWaalsContact C-N 3.3Å; H265-T267 PolarHBondContact O-N 3.36Å; H265-L268 PolarHBondContact O-N 3.1Å; H265-Q269 WeakPolarHBondContact O-CB 3.5Å; H265-Q269 PolarHBondContact O-N 2.86Å; H265-L289 HydrophobicContact CB-CD2 4Å; H265-F400 HydrophobicContact CB-CZ 4.2Å; H265-F400 AromaticContact CE1-CE1 3.54Å; H265-F400 AromaticContact CE1-CE2 3.69Å; H265-F400 AromaticContact CE1-CZ 3.37Å; H265-F400 WeakPolarHBondContact CE1-CZ 3.38Å; H265-F400 AromaticContact CG-CE1 3.9Å; H265-F400 AromaticContact CG-CZ 3.64Å; H265-F400 AromaticContact ND1-CE1 3.51Å; H265-F400 AromaticContact ND1-CE2 3.48Å; H265-F400 WeakPolarHBondContact ND1-CE2 3.45Å; H265-F400 AromaticContact ND1-CZ 2.98Å; H265-F400 WeakPolarHBondContact ND1-CZ 3.28Å; H265-F400 AromaticContact NE2-CE1 3.98Å; H265-F400 WeakPolarHBondContact O-CE1 3.49Å
266	S	91.8	Very high	91.2	Very high	33 Å²	33	52.4 Å²	52.4	23%	0.231	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-38.9	-179.1	-55.6	0	0	0	0	112.1	T262 Y263 C264 Q269 R270	T262-S266 WeakPolarHBondContact O-CB 3.03Å; T262-S266 PolarHBondContact O-N 3.48Å; T262-S266 PolarHBondContact O-OG 3.38Å; Y263-S266 PolarHBondContact O-N 2.89Å; C264-S266 PolarHBondContact O-N 2.98Å; S266-Q269 PolarHBondContact O-N 3.36Å; S266-R270 WeakPolarHBondContact O-CB 3.33Å; S266-R270 WeakPolarHBondContact O-CG 3.33Å; S266-R270 PolarHBondContact O-N 3.47Å
267	T	94.4	Very high	90.9	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-49.7	175.5	-60.8	0	0	0	0	111.2	T241 Y245 Y263 C264 H265 Q269 R270 Q271	T241-T267 HydrophobicContact CG2-CG2 4.07Å; Y245-T267 HydrophobicContact CD2-CG2 4.21Å; Y245-T267 PolarHBondContact N-OG1 3.37Å; Y263-T267 VanDerWaalsContact O-CB 3.28Å; Y263-T267 WeakPolarHBondContact O-CB 3.46Å; Y263-T267 PolarHBondContact O-N 3.41Å; Y263-T267 PolarHBondContact O-OG1 3.22Å; C264-T267 WeakPolarHBondContact O-CB 3.41Å; C264-T267 PolarHBondContact O-N 2.92Å; H265-T267 VanDerWaalsContact C-N 3.3Å; H265-T267 PolarHBondContact O-N 3.36Å; T267-Q269 VanDerWaalsContact C-N 3.34Å; T267-Q269 PolarHBondContact O-N 3.27Å; T267-R270 PolarHBondContact O-N 3.45Å; T267-Q271 WeakPolarHBondContact O-CG 3.18Å; T267-Q271 PolarHBondContact O-N 2.94Å
268	L	92.7	Very high	90.9	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-42.3	179.3	-72	171.1	0	0	0	111.8	C264 H265 R270 Q271 L272 W282 N285 A286 L289 F400	C264-L268 WeakPolarHBondContact O-CG 3.44Å; C264-L268 PolarHBondContact O-N 3.34Å; H265-L268 PolarHBondContact O-N 3.1Å; L268-R270 PolarHBondContact O-N 2.8Å; L268-Q271 PolarHBondContact O-N 3.3Å; L268-L272 PolarHBondContact O-N 3.23Å; L268-L272 VanDerWaalsContact O-N 3.16Å; L268-W282 HydrophobicContact CB-CZ2 3.99Å; L268-W282 HydrophobicContact CD2-CD2 4.16Å; L268-W282 HydrophobicContact CD2-CG 4.03Å; L268-W282 HydrophobicContact CD2-CZ2 4.4Å; L268-W282 PolarHBondContact O-NE1 3.23Å; L268-N285 HydrophobicContact CD2-CB 3.84Å; L268-A286 HydrophobicContact CD1-CB 4.12Å; L268-L289 HydrophobicContact CD1-CD2 3.95Å; L268-F400 HydrophobicContact CB-CE1 3.8Å; L268-F400 HydrophobicContact CB-CZ 4.28Å; L268-F400 HydrophobicContact CD1-CZ 4.28Å
269	Q	90.9	Very high	90.9	Very high	35 Å²	35	46.3 Å²	46.3	16%	0.164	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-44	177	-178.9	63.6	8.2	0	0	111.5	H265 S266 T267 L272 Q273 F400	H265-Q269 WeakPolarHBondContact O-CB 3.5Å; H265-Q269 PolarHBondContact O-N 2.86Å; S266-Q269 PolarHBondContact O-N 3.36Å; T267-Q269 VanDerWaalsContact C-N 3.34Å; T267-Q269 PolarHBondContact O-N 3.27Å; Q269-L272 PolarHBondContact O-N 3.03Å; Q269-Q273 WeakPolarHBondContact O-CG 3.42Å; Q269-Q273 PolarHBondContact O-N 2.97Å; Q269-Q273 VanDerWaalsContact O-N 3.11Å; Q269-F400 HydrophobicContact CB-CD1 4.27Å; Q269-F400 HydrophobicContact CB-CE1 4.28Å
270	R	91	Very high	91	Very high	31 Å²	31	42.4 Å²	42.4	12%	0.117	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-39.8	177.8	-71.1	174.6	64.6	76.1	7.1	112.2	E237 Y240 T241 M244 S266 T267 L268 L272 Q273 L274	E237-R270 PolarHBondContact O-NH2 3.08Å; E237-R270 IonicContact OE2-CZ 3.36Å; E237-R270 VanDerWaalsContact OE2-CZ 3.29Å; E237-R270 IonicContact OE2-NH1 3.58Å; E237-R270 PolarHBondContact OE2-NH1 2.99Å; E237-R270 IonicContact OE2-NH2 3.62Å; E237-R270 PolarHBondContact OE2-NH2 2.95Å; Y240-R270 VanDerWaalsContact CD1-CZ 3.48Å; T241-R270 HydrophobicContact CG2-CB 4.07Å; T241-R270 PolarHBondContact OG1-NE 3.24Å; T241-R270 PolarHBondContact OG1-NH2 3.44Å; M244-R270 WeakPolarHBondContact SD-CD 3.34Å; S266-R270 WeakPolarHBondContact O-CB 3.33Å; S266-R270 WeakPolarHBondContact O-CG 3.33Å; S266-R270 PolarHBondContact O-N 3.47Å; T267-R270 PolarHBondContact O-N 3.45Å; L268-R270 PolarHBondContact O-N 2.8Å; R270-L272 VanDerWaalsContact C-N 3.31Å; R270-L272 PolarHBondContact O-N 3.26Å; R270-Q273 PolarHBondContact O-N 3.46Å; R270-L274 WeakPolarHBondContact O-CB 3.42Å; R270-L274 WeakPolarHBondContact O-CG 3.37Å; R270-L274 PolarHBondContact O-N 3.5Å
271	Q	91.6	Very high	90.9	Very high	41 Å²	41	46 Å²	46	19%	0.192	25%	0.25	C	S	.	.	H	α-helix	trans	-58.6	-42.1	175.5	-77.5	173.8	-13.7	0	0	112	T241 T267 L268 S275 Q276 F277 W282	T241-Q271 HydrophobicContact CG2-CG 4.2Å; T267-Q271 WeakPolarHBondContact O-CG 3.18Å; T267-Q271 PolarHBondContact O-N 2.94Å; L268-Q271 PolarHBondContact O-N 3.3Å; Q271-S275 PolarHBondContact O-N 3.28Å; Q271-S275 VanDerWaalsContact O-N 3.1Å; Q271-Q276 PolarHBondContact O-N 3.13Å; Q271-F277 HydrophobicContact CB-CB 4.3Å; Q271-F277 WeakPolarHBondContact O-CD1 3.44Å; Q271-W282 VanDerWaalsContact OE1-CD1 3.3Å
272	L	87.9	Confident	91.1	Very high	21 Å²	21	45.8 Å²	45.8	11%	0.11	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-49.4	174	-69.7	179.3	0	0	0	111.6	L268 Q269 R270 L274 S275 F277 W282 I312 F400	L268-L272 PolarHBondContact O-N 3.23Å; L268-L272 VanDerWaalsContact O-N 3.16Å; Q269-L272 PolarHBondContact O-N 3.03Å; R270-L272 VanDerWaalsContact C-N 3.31Å; R270-L272 PolarHBondContact O-N 3.26Å; L272-L274 VanDerWaalsContact C-N 3.27Å; L272-L274 PolarHBondContact O-N 3.46Å; L272-S275 PolarHBondContact O-N 2.93Å; L272-S275 VanDerWaalsContact O-N 3.08Å; L272-F277 HydrophobicContact CD2-CE1 3.86Å; L272-F277 HydrophobicContact CD2-CE2 4.42Å; L272-F277 HydrophobicContact CD2-CZ 3.8Å; L272-W282 HydrophobicContact CD1-CH2 3.94Å; L272-W282 HydrophobicContact CD1-CZ2 3.39Å; L272-W282 HydrophobicContact CD2-CD2 4.2Å; L272-W282 HydrophobicContact CD2-CH2 4.48Å; L272-W282 HydrophobicContact CD2-CZ2 3.91Å; L272-W282 HydrophobicContact CG-CH2 4.44Å; L272-W282 HydrophobicContact CG-CZ2 3.59Å; L272-I312 HydrophobicContact CD2-CD1 3.91Å; L272-I312 HydrophobicContact CD2-CG1 4.27Å; L272-F400 HydrophobicContact CD1-CB 4.5Å
273	Q	87.2	Confident	91.3	Very high	128 Å²	128	41.7 Å²	41.7	60%	0.598	22%	0.223	S	C	*	.	H	α-helix	trans	-60.1	-36.2	-179.3	-71.7	173.1	-17.3	0	0	112.8	Q269 R270 S275	Q269-Q273 WeakPolarHBondContact O-CG 3.42Å; Q269-Q273 PolarHBondContact O-N 2.97Å; Q269-Q273 VanDerWaalsContact O-N 3.11Å; R270-Q273 PolarHBondContact O-N 3.46Å; Q273-S275 VanDerWaalsContact C-N 3.35Å
274	L	87	Confident	91.3	Very high	32 Å²	32	41.7 Å²	41.7	17%	0.168	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.8	179.8	-62.6	174.2	0	0	0	113.4	E237 L238 R270 L272 Q276	E237-L274 HydrophobicContact CB-CD1 3.9Å; E237-L274 HydrophobicContact CB-CD2 3.89Å; E237-L274 HydrophobicContact CG-CD2 4.48Å; L238-L274 HydrophobicContact CD2-CB 4.49Å; L238-L274 HydrophobicContact CD2-CD1 3.83Å; L238-L274 HydrophobicContact CG-CD1 4.26Å; R270-L274 WeakPolarHBondContact O-CB 3.42Å; R270-L274 WeakPolarHBondContact O-CG 3.37Å; R270-L274 PolarHBondContact O-N 3.5Å; L272-L274 VanDerWaalsContact C-N 3.27Å; L272-L274 PolarHBondContact O-N 3.46Å; L274-Q276 HydrophobicContact CB-CB 4.43Å; L274-Q276 PolarHBondContact O-N 2.86Å
275	S	86.4	Confident	91.4	Very high	96 Å²	96	42.7 Å²	42.7	67%	0.671	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	39.3	-174.4	-60.3	0	0	0	0	112.8	Q271 L272 Q273	Q271-S275 PolarHBondContact O-N 3.28Å; Q271-S275 VanDerWaalsContact O-N 3.1Å; L272-S275 PolarHBondContact O-N 2.93Å; L272-S275 VanDerWaalsContact O-N 3.08Å; Q273-S275 VanDerWaalsContact C-N 3.35Å
276	Q	85	Confident	91.6	Very high	104 Å²	104	41.6 Å²	41.6	49%	0.486	22%	0.221	S	C	.	.			trans	-125.3	83.4	-176.7	-169.8	66.8	38.3	0	0	110.2	L238 Q271 L274	L238-Q276 HydrophobicContact CD1-CG 4.43Å; L238-Q276 HydrophobicContact CD2-CB 3.83Å; L238-Q276 HydrophobicContact CD2-CG 3.78Å; Q271-Q276 PolarHBondContact O-N 3.13Å; L274-Q276 HydrophobicContact CB-CB 4.43Å; L274-Q276 PolarHBondContact O-N 2.86Å
277	F	88.5	Confident	91.8	Very high	58 Å²	58	40 Å²	40	25%	0.254	21%	0.211	S	C	.	.	S	Bend	trans	-161	157.8	178.5	58.2	-84.1	0	0	0	110.9	Q271 L272 P279 W282 I312	Q271-F277 HydrophobicContact CB-CB 4.3Å; Q271-F277 WeakPolarHBondContact O-CD1 3.44Å; L272-F277 HydrophobicContact CD2-CE1 3.86Å; L272-F277 HydrophobicContact CD2-CE2 4.42Å; L272-F277 HydrophobicContact CD2-CZ 3.8Å; F277-P279 HydrophobicContact CD2-CG 4.49Å; F277-P279 HydrophobicContact CE2-CB 4.3Å; F277-P279 HydrophobicContact CE2-CG 4.2Å; F277-W282 HydrophobicContact CB-CB 4.18Å; F277-W282 HydrophobicContact CB-CG 4.46Å; F277-W282 HydrophobicContact CD2-CB 3.63Å; F277-W282 AromaticContact CD2-CG 3.96Å; F277-W282 HydrophobicContact CD2-CG 3.96Å; F277-W282 HydrophobicContact CE2-CB 4.4Å; F277-W282 HydrophobicContact CG-CB 4.17Å; F277-W282 HydrophobicContact CG-CG 4.26Å; F277-I312 HydrophobicContact CD2-CG2 4.4Å; F277-I312 HydrophobicContact CE2-CG2 3.66Å; F277-I312 HydrophobicContact CZ-CG2 4.41Å
278	S	90.9	Very high	91.9	Very high	63 Å²	63	44.2 Å²	44.2	44%	0.441	24%	0.236	S	C	.	.			trans	-82.5	122.8	160.5	169.3	0	0	0	0	107.8	M280 E281 W282	S278-M280 PolarHBondContact O-N 3.18Å; S278-M280 VanDerWaalsContact O-N 3.17Å; S278-E281 PolarHBondContact O-N 3.35Å; S278-W282 WeakPolarHBondContact O-CB 3.37Å; S278-W282 PolarHBondContact O-N 3.05Å
279	P	93	Very high	92	Very high	35 Å²	35	44.4 Å²	44.4	23%	0.227	24%	0.237	C	C	.	.	H	α-helix	trans	-53.9	-38.7	-176.3	-28.3	34.7	0	0	0	113.6	F277 A283 I312 L315 A316	F277-P279 HydrophobicContact CD2-CG 4.49Å; F277-P279 HydrophobicContact CE2-CB 4.3Å; F277-P279 HydrophobicContact CE2-CG 4.2Å; P279-A283 VanDerWaalsContact O-CB 3.26Å; P279-A283 WeakPolarHBondContact O-CB 3.44Å; P279-A283 PolarHBondContact O-N 3.4Å; P279-I312 HydrophobicContact CB-CG2 4.23Å; P279-I312 WeakPolarHBondContact CB-O 3.49Å; P279-L315 HydrophobicContact CB-CB 4.21Å; P279-L315 HydrophobicContact CG-CB 4.33Å; P279-A316 HydrophobicContact CB-CB 4.15Å
280	M	93.4	Very high	92.3	Very high	7 Å²	7	42.7 Å²	42.7	3%	0.034	23%	0.229	C	C	.	.	H	α-helix	trans	-75.7	-39.1	-177.9	-151.2	64.1	-163.3	0	0	113	S278 A283 L284 L338 K341 R342 I345	S278-M280 PolarHBondContact O-N 3.18Å; S278-M280 VanDerWaalsContact O-N 3.17Å; M280-A283 PolarHBondContact O-N 2.93Å; M280-L284 WeakPolarHBondContact O-CG 3.43Å; M280-L284 PolarHBondContact O-N 3.27Å; M280-L338 HydrophobicContact CG-CD2 4.43Å; M280-L338 HydrophobicContact SD-CD2 4.31Å; M280-K341 HydrophobicContact CB-CD 4.11Å; M280-K341 HydrophobicContact CE-CB 3.19Å; M280-K341 WeakPolarHBondContact CE-O 3.25Å; M280-K341 HydrophobicContact CG-CB 3.58Å; M280-K341 HydrophobicContact CG-CD 3.36Å; M280-K341 HydrophobicContact CG-CG 4.12Å; M280-K341 HydrophobicContact SD-CB 4.21Å; M280-R342 HydrophobicContact CE-CB 4.32Å; M280-R342 HydrophobicContact CE-CG 3.65Å; M280-I345 HydrophobicContact CE-CD1 3.7Å
281	E	92.9	Very high	92.5	Very high	82 Å²	82	43.5 Å²	43.5	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-64.5	-43	174.1	-63.2	-51.9	128	0	0	111.2	S278 A283 L284 N285 K341	S278-E281 PolarHBondContact O-N 3.35Å; E281-A283 VanDerWaalsContact C-N 3.34Å; E281-A283 PolarHBondContact O-N 3.17Å; E281-L284 PolarHBondContact O-N 3.39Å; E281-N285 WeakPolarHBondContact O-CB 3.48Å; E281-N285 VanDerWaalsContact O-CG 3.25Å; E281-N285 PolarHBondContact O-N 3.25Å; E281-N285 PolarHBondContact O-ND2 2.98Å; E281-N285 VanDerWaalsContact O-ND2 3.17Å; E281-K341 IonicContact OE1-NZ 3.46Å; E281-K341 PolarHBondContact OE1-NZ 3.44Å
282	W	95.4	Very high	92.6	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-46.3	176.9	-171	98.5	0	0	0	110.8	L268 Q271 L272 F277 S278 L284 N285 A286 A308 I312 F400	L268-W282 HydrophobicContact CB-CZ2 3.99Å; L268-W282 HydrophobicContact CD2-CD2 4.16Å; L268-W282 HydrophobicContact CD2-CG 4.03Å; L268-W282 HydrophobicContact CD2-CZ2 4.4Å; L268-W282 PolarHBondContact O-NE1 3.23Å; Q271-W282 VanDerWaalsContact OE1-CD1 3.3Å; L272-W282 HydrophobicContact CD1-CH2 3.94Å; L272-W282 HydrophobicContact CD1-CZ2 3.39Å; L272-W282 HydrophobicContact CD2-CD2 4.2Å; L272-W282 HydrophobicContact CD2-CH2 4.48Å; L272-W282 HydrophobicContact CD2-CZ2 3.91Å; L272-W282 HydrophobicContact CG-CH2 4.44Å; L272-W282 HydrophobicContact CG-CZ2 3.59Å; F277-W282 HydrophobicContact CB-CB 4.18Å; F277-W282 HydrophobicContact CB-CG 4.46Å; F277-W282 HydrophobicContact CD2-CB 3.63Å; F277-W282 AromaticContact CD2-CG 3.96Å; F277-W282 HydrophobicContact CD2-CG 3.96Å; F277-W282 HydrophobicContact CE2-CB 4.4Å; F277-W282 HydrophobicContact CG-CB 4.17Å; F277-W282 HydrophobicContact CG-CG 4.26Å; S278-W282 WeakPolarHBondContact O-CB 3.37Å; S278-W282 PolarHBondContact O-N 3.05Å; W282-L284 PolarHBondContact O-N 3.39Å; W282-N285 PolarHBondContact O-N 3.39Å; W282-A286 HydrophobicContact CE3-CB 4.11Å; W282-A286 HydrophobicContact CH2-CB 3.91Å; W282-A286 HydrophobicContact CZ3-CB 3.67Å; W282-A286 WeakPolarHBondContact O-CB 3.31Å; W282-A286 PolarHBondContact O-N 3.16Å; W282-A308 HydrophobicContact CH2-CB 3.87Å; W282-A308 HydrophobicContact CZ3-CB 4.11Å; W282-I312 HydrophobicContact CB-CG2 4.44Å; W282-I312 HydrophobicContact CD2-CG2 4.13Å; W282-I312 HydrophobicContact CE3-CB 3.65Å; W282-I312 HydrophobicContact CE3-CG1 3.72Å; W282-I312 HydrophobicContact CE3-CG2 3.57Å; W282-I312 HydrophobicContact CG-CG2 4.49Å; W282-I312 HydrophobicContact CH2-CG1 4.22Å; W282-I312 HydrophobicContact CZ3-CB 3.85Å; W282-I312 HydrophobicContact CZ3-CG1 3.54Å; W282-I312 HydrophobicContact CZ3-CG2 4.27Å; W282-F400 HydrophobicContact CZ2-CD1 4.41Å
283	A	96.3	Very high	92.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-42.9	179.6	0	0	0	0	0	112.4	P279 M280 E281 A286 A287 A309 I345	P279-A283 VanDerWaalsContact O-CB 3.26Å; P279-A283 WeakPolarHBondContact O-CB 3.44Å; P279-A283 PolarHBondContact O-N 3.4Å; M280-A283 PolarHBondContact O-N 2.93Å; E281-A283 VanDerWaalsContact C-N 3.34Å; E281-A283 PolarHBondContact O-N 3.17Å; A283-A286 PolarHBondContact O-N 3.37Å; A283-A287 WeakPolarHBondContact O-CB 3.49Å; A283-A287 PolarHBondContact O-N 2.72Å; A283-A309 HydrophobicContact CB-CB 4.24Å; A283-A309 VanDerWaalsContact CB-O 3.29Å; A283-A309 WeakPolarHBondContact CB-O 3.43Å; A283-A309 WeakPolarHBondContact O-CB 3.41Å; A283-I345 HydrophobicContact CB-CD1 3.81Å
284	L	95.6	Very high	93.2	Very high	23 Å²	23	37.1 Å²	37.1	12%	0.12	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-41.9	175.5	-77.5	178.6	0	0	0	112.8	M280 E281 W282 A286 A287 T288 K341 E344 I345	M280-L284 WeakPolarHBondContact O-CG 3.43Å; M280-L284 PolarHBondContact O-N 3.27Å; E281-L284 PolarHBondContact O-N 3.39Å; W282-L284 PolarHBondContact O-N 3.39Å; L284-A286 VanDerWaalsContact C-N 3.34Å; L284-A286 PolarHBondContact O-N 3.27Å; L284-A287 PolarHBondContact O-N 3.12Å; L284-T288 WeakPolarHBondContact O-CB 3.48Å; L284-T288 PolarHBondContact O-N 3.22Å; L284-T288 PolarHBondContact O-OG1 3.08Å; L284-K341 HydrophobicContact CD1-CB 3.92Å; L284-K341 HydrophobicContact CD1-CD 3.65Å; L284-K341 HydrophobicContact CD1-CG 3.63Å; L284-K341 HydrophobicContact CD2-CB 4.21Å; L284-K341 HydrophobicContact CG-CB 4.16Å; L284-K341 HydrophobicContact CG-CG 4.42Å; L284-E344 HydrophobicContact CD2-CB 3.89Å; L284-E344 WeakPolarHBondContact CD2-OE2 3.34Å; L284-I345 HydrophobicContact CD2-CG1 4.04Å
285	N	94.8	Very high	93.6	Very high	72 Å²	72	40.5 Å²	40.5	39%	0.385	22%	0.224	S	C	.	.	H	α-helix	trans	-63.5	-41.5	177.3	-73.1	-29.3	0	0	0	111.3	L268 E281 W282 T288 L289	L268-N285 HydrophobicContact CD2-CB 3.84Å; E281-N285 WeakPolarHBondContact O-CB 3.48Å; E281-N285 VanDerWaalsContact O-CG 3.25Å; E281-N285 PolarHBondContact O-N 3.25Å; E281-N285 PolarHBondContact O-ND2 2.98Å; E281-N285 VanDerWaalsContact O-ND2 3.17Å; W282-N285 PolarHBondContact O-N 3.39Å; N285-T288 PolarHBondContact O-N 3.33Å; N285-L289 WeakPolarHBondContact O-CB 3.45Å; N285-L289 PolarHBondContact O-N 3.28Å
286	A	96.6	Very high	93.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-44	173.5	0	0	0	0	0	112	L268 W282 A283 L284 T288 L289 S290 C305 A309	L268-A286 HydrophobicContact CD1-CB 4.12Å; W282-A286 HydrophobicContact CE3-CB 4.11Å; W282-A286 HydrophobicContact CH2-CB 3.91Å; W282-A286 HydrophobicContact CZ3-CB 3.67Å; W282-A286 WeakPolarHBondContact O-CB 3.31Å; W282-A286 PolarHBondContact O-N 3.16Å; A283-A286 PolarHBondContact O-N 3.37Å; L284-A286 VanDerWaalsContact C-N 3.34Å; L284-A286 PolarHBondContact O-N 3.27Å; A286-T288 VanDerWaalsContact C-N 3.3Å; A286-T288 PolarHBondContact O-N 3.1Å; A286-L289 PolarHBondContact O-N 3.05Å; A286-S290 PolarHBondContact O-N 2.73Å; A286-C305 WeakPolarHBondContact O-CB 3.32Å; A286-A309 HydrophobicContact CB-CB 4.11Å
287	A	97.2	Very high	94	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-37.8	175.7	0	0	0	0	0	111.9	A283 L284 S290 L306 A309 I345 C348	A283-A287 WeakPolarHBondContact O-CB 3.49Å; A283-A287 PolarHBondContact O-N 2.72Å; L284-A287 PolarHBondContact O-N 3.12Å; A287-S290 WeakPolarHBondContact O-CB 3.49Å; A287-S290 PolarHBondContact O-N 3.41Å; A287-S290 PolarHBondContact O-OG 3.5Å; A287-L306 HydrophobicContact CB-CD2 3.98Å; A287-A309 HydrophobicContact CB-CB 4.09Å; A287-I345 HydrophobicContact CB-CG1 4.1Å; A287-C348 HydrophobicContact CB-CB 4.23Å
288	T	95	Very high	94.1	Very high	91 Å²	91	39 Å²	39	56%	0.558	21%	0.211	S	C	*	.	H	α-helix	trans	-67.2	-43.6	175.2	-58.1	0	0	0	0	111.6	L284 N285 A286 S290 Q291	L284-T288 WeakPolarHBondContact O-CB 3.48Å; L284-T288 PolarHBondContact O-N 3.22Å; L284-T288 PolarHBondContact O-OG1 3.08Å; N285-T288 PolarHBondContact O-N 3.33Å; A286-T288 VanDerWaalsContact C-N 3.3Å; A286-T288 PolarHBondContact O-N 3.1Å; T288-S290 PolarHBondContact O-N 3.08Å; T288-Q291 WeakPolarHBondContact O-CB 3.38Å; T288-Q291 PolarHBondContact O-N 3.33Å
289	L	95.1	Very high	94.3	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-32.8	175.2	-178.4	61.4	0	0	0	111.9	A261 C264 H265 L268 N285 A286 Q291 Y292 Y293 F400	A261-L289 HydrophobicContact CB-CD1 3.97Å; C264-L289 HydrophobicContact CB-CD1 4.01Å; C264-L289 HydrophobicContact CB-CD2 4.33Å; H265-L289 HydrophobicContact CB-CD2 4Å; L268-L289 HydrophobicContact CD1-CD2 3.95Å; N285-L289 WeakPolarHBondContact O-CB 3.45Å; N285-L289 PolarHBondContact O-N 3.28Å; A286-L289 PolarHBondContact O-N 3.05Å; L289-Q291 VanDerWaalsContact C-N 3.26Å; L289-Q291 PolarHBondContact O-N 3.11Å; L289-Y292 WeakPolarHBondContact O-CB 3.45Å; L289-Y292 PolarHBondContact O-N 3.23Å; L289-Y293 HydrophobicContact CD1-CE2 4.01Å; L289-Y293 HydrophobicContact CD2-CE2 3.95Å; L289-Y293 HydrophobicContact CG-CD2 4.15Å; L289-Y293 HydrophobicContact CG-CE2 3.62Å; L289-Y293 WeakPolarHBondContact O-CD2 3.37Å; L289-Y293 PolarHBondContact O-N 3.35Å; L289-F400 HydrophobicContact CD2-CZ 4.08Å
290	S	96.6	Very high	94.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.6	-38.5	174.2	82.7	0	0	0	0	112.8	A286 A287 T288 Y292 Y293 I294 G302 L306	A286-S290 PolarHBondContact O-N 2.73Å; A287-S290 WeakPolarHBondContact O-CB 3.49Å; A287-S290 PolarHBondContact O-N 3.41Å; A287-S290 PolarHBondContact O-OG 3.5Å; T288-S290 PolarHBondContact O-N 3.08Å; S290-Y292 VanDerWaalsContact C-N 3.28Å; S290-Y292 PolarHBondContact O-N 3.36Å; S290-Y293 PolarHBondContact O-N 3.49Å; S290-Y293 VanDerWaalsContact O-N 3.12Å; S290-I294 WeakPolarHBondContact O-CD1 3.39Å; S290-I294 WeakPolarHBondContact O-CG1 3.2Å; S290-I294 PolarHBondContact O-N 2.93Å; S290-G302 VanDerWaalsContact CB-O 3.29Å; S290-G302 WeakPolarHBondContact CB-O 2.98Å; S290-L306 WeakPolarHBondContact OG-CD2 3.26Å; S290-L306 VanDerWaalsContact OG-CG 3.32Å; S290-L306 WeakPolarHBondContact OG-CG 3.39Å
291	Q	96.6	Very high	94	Very high	47 Å²	47	40.5 Å²	40.5	22%	0.22	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-38	-177.9	-58.1	-55.2	-67.4	0	0	110.5	T288 L289 I294 T295 C348	T288-Q291 WeakPolarHBondContact O-CB 3.38Å; T288-Q291 PolarHBondContact O-N 3.33Å; L289-Q291 VanDerWaalsContact C-N 3.26Å; L289-Q291 PolarHBondContact O-N 3.11Å; Q291-I294 PolarHBondContact O-N 3Å; Q291-T295 WeakPolarHBondContact O-CG2 3.39Å; Q291-T295 PolarHBondContact O-N 3.28Å; Q291-C348 PolarHBondContact NE2-O 3.5Å; Q291-C348 VanDerWaalsContact NE2-O 3.16Å
292	Y	94.3	Very high	94.1	Very high	39 Å²	39	36.6 Å²	36.6	15%	0.153	19%	0.194	C	C	.	.	H	α-helix	trans	-58.5	-50.9	171.2	171.8	-98.7	0	0	0	111.8	N257 E258 A261 L289 S290 I294 T295 K296	N257-Y292 HydrophobicContact CB-CE2 3.89Å; E258-Y292 WeakPolarHBondContact CA-OH 3.46Å; E258-Y292 WeakPolarHBondContact CG-OH 3.36Å; A261-Y292 HydrophobicContact CB-CD1 3.34Å; A261-Y292 HydrophobicContact CB-CE1 3.18Å; A261-Y292 HydrophobicContact CB-CG 4.1Å; L289-Y292 WeakPolarHBondContact O-CB 3.45Å; L289-Y292 PolarHBondContact O-N 3.23Å; S290-Y292 VanDerWaalsContact C-N 3.28Å; S290-Y292 PolarHBondContact O-N 3.36Å; Y292-I294 VanDerWaalsContact C-N 3.33Å; Y292-I294 PolarHBondContact O-N 3.42Å; Y292-T295 PolarHBondContact O-N 3.46Å; Y292-T295 PolarHBondContact O-OG1 3.18Å; Y292-K296 HydrophobicContact CE1-CG 4.39Å; Y292-K296 HydrophobicContact CE2-CG 4.23Å; Y292-K296 PolarHBondContact O-N 2.88Å
293	Y	92.8	Very high	94.2	Very high	16 Å²	16	37.9 Å²	37.9	6%	0.063	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-39.8	179.9	-69.6	-53.9	0	0	0	112.7	L289 S290 T295 K296 G297 R298 E301	L289-Y293 HydrophobicContact CD1-CE2 4.01Å; L289-Y293 HydrophobicContact CD2-CE2 3.95Å; L289-Y293 HydrophobicContact CG-CD2 4.15Å; L289-Y293 HydrophobicContact CG-CE2 3.62Å; L289-Y293 WeakPolarHBondContact O-CD2 3.37Å; L289-Y293 PolarHBondContact O-N 3.35Å; S290-Y293 PolarHBondContact O-N 3.49Å; S290-Y293 VanDerWaalsContact O-N 3.12Å; Y293-T295 PolarHBondContact O-N 2.88Å; Y293-K296 CarbonylContact O-C 3.57Å; Y293-K296 WeakPolarHBondContact O-CA 3.37Å; Y293-K296 PolarHBondContact O-N 2.92Å; Y293-G297 PolarHBondContact O-N 3.14Å; Y293-R298 WeakPolarHBondContact CB-O 3.31Å; Y293-R298 HydrophobicContact CD1-CB 4.25Å; Y293-R298 WeakPolarHBondContact O-CB 3.5Å; Y293-R298 PolarHBondContact O-N 2.81Å; Y293-E301 HydrophobicContact CD1-CB 4.08Å; Y293-E301 HydrophobicContact CD2-CB 3.78Å; Y293-E301 HydrophobicContact CE1-CB 4.37Å; Y293-E301 HydrophobicContact CE2-CB 4.06Å; Y293-E301 HydrophobicContact CG-CB 3.79Å
294	I	94.8	Very high	94	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-45.7	176.8	-67.5	157.2	0	0	0	110.9	S290 Q291 Y292 K296 G297 Y299 L306 Y352 N355	S290-I294 WeakPolarHBondContact O-CD1 3.39Å; S290-I294 WeakPolarHBondContact O-CG1 3.2Å; S290-I294 PolarHBondContact O-N 2.93Å; Q291-I294 PolarHBondContact O-N 3Å; Y292-I294 VanDerWaalsContact C-N 3.33Å; Y292-I294 PolarHBondContact O-N 3.42Å; I294-K296 PolarHBondContact O-N 3.21Å; I294-K296 VanDerWaalsContact O-N 3.08Å; I294-G297 PolarHBondContact O-N 2.58Å; I294-Y299 HydrophobicContact CG2-CE1 4.08Å; I294-L306 HydrophobicContact CD1-CD1 4.44Å; I294-Y352 HydrophobicContact CD1-CD2 3.78Å; I294-Y352 HydrophobicContact CD1-CG 4.27Å; I294-Y352 HydrophobicContact CG1-CD2 3.84Å; I294-N355 HydrophobicContact CG2-CB 3.44Å; I294-N355 VanDerWaalsContact CG2-CB 3.44Å
295	T	94.1	Very high	94	Very high	103 Å²	103	37.2 Å²	37.2	63%	0.632	20%	0.195	S	C	*	.	H	α-helix	trans	-62.9	-17.2	177.3	64.2	0	0	0	0	113.9	Q291 Y292 Y293	Q291-T295 WeakPolarHBondContact O-CG2 3.39Å; Q291-T295 PolarHBondContact O-N 3.28Å; Y292-T295 PolarHBondContact O-N 3.46Å; Y292-T295 PolarHBondContact O-OG1 3.18Å; Y293-T295 PolarHBondContact O-N 2.88Å
296	K	91.3	Very high	94.1	Very high	106 Å²	106	33.8 Å²	33.8	46%	0.461	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	5.9	175.6	-62.2	-65.6	-176.3	171.7	0	113	Y292 Y293 I294 R298	Y292-K296 HydrophobicContact CE1-CG 4.39Å; Y292-K296 HydrophobicContact CE2-CG 4.23Å; Y292-K296 PolarHBondContact O-N 2.88Å; Y293-K296 CarbonylContact O-C 3.57Å; Y293-K296 WeakPolarHBondContact O-CA 3.37Å; Y293-K296 PolarHBondContact O-N 2.92Å; I294-K296 PolarHBondContact O-N 3.21Å; I294-K296 VanDerWaalsContact O-N 3.08Å; K296-R298 PolarHBondContact O-N 3.24Å
297	G	89.2	Confident	94.1	Very high	34 Å²	34	33.8 Å²	33.8	35%	0.351	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	12.4	-175.2	0	0	0	0	0	114.3	Y293 I294 Y299	Y293-G297 PolarHBondContact O-N 3.14Å; I294-G297 PolarHBondContact O-N 2.58Å; G297-Y299 VanDerWaalsContact C-N 3.35Å; G297-Y299 VanDerWaalsContact O-CD2 3.26Å; G297-Y299 WeakPolarHBondContact O-CD2 3.33Å; G297-Y299 PolarHBondContact O-N 3.29Å; G297-Y299 VanDerWaalsContact O-N 3.16Å
298	R	91.4	Very high	93.9	Very high	85 Å²	85	33.8 Å²	33.8	32%	0.321	18%	0.176	S	C	.	.			trans	-88	70	179.8	-78.2	-170.4	-86	-168.1	-9.4	110.9	Y293 K296 T300 E301 G302	Y293-R298 WeakPolarHBondContact CB-O 3.31Å; Y293-R298 HydrophobicContact CD1-CB 4.25Å; Y293-R298 WeakPolarHBondContact O-CB 3.5Å; Y293-R298 PolarHBondContact O-N 2.81Å; K296-R298 PolarHBondContact O-N 3.24Å; R298-T300 PolarHBondContact O-N 3.12Å; R298-E301 WeakPolarHBondContact CB-OE2 3.4Å; R298-G302 PolarHBondContact O-N 3.09Å
299	Y	93.4	Very high	94	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.027	15%	0.15	C	C	.	.	H	α-helix	trans	-70.4	-29.8	-173.8	-68.5	-79.1	0	0	0	113.9	I294 G297 G302 R303 Y352 N355 L356 D359 C418 F420	I294-Y299 HydrophobicContact CG2-CE1 4.08Å; G297-Y299 VanDerWaalsContact C-N 3.35Å; G297-Y299 VanDerWaalsContact O-CD2 3.26Å; G297-Y299 WeakPolarHBondContact O-CD2 3.33Å; G297-Y299 PolarHBondContact O-N 3.29Å; G297-Y299 VanDerWaalsContact O-N 3.16Å; Y299-G302 PolarHBondContact O-N 3.47Å; Y299-R303 WeakPolarHBondContact O-CB 3.18Å; Y299-R303 PolarHBondContact O-N 3.48Å; Y299-Y352 HydrophobicContact CD1-CD2 4.22Å; Y299-Y352 AromaticContact CD1-CE2 3.76Å; Y299-Y352 HydrophobicContact CD1-CE2 3.76Å; Y299-Y352 HydrophobicContact CG-CE2 4.46Å; Y299-Y352 WeakPolarHBondContact O-CE2 3.49Å; Y299-N355 HydrophobicContact CE1-CB 4.28Å; Y299-N355 VanDerWaalsContact OH-C 3.27Å; Y299-N355 PolarHBondContact OH-O 3.31Å; Y299-L356 HydrophobicContact CD1-CB 4.07Å; Y299-L356 HydrophobicContact CD1-CD1 3.76Å; Y299-L356 HydrophobicContact CD1-CG 4.46Å; Y299-L356 HydrophobicContact CD2-CD1 3.95Å; Y299-L356 HydrophobicContact CE1-CB 3.75Å; Y299-L356 HydrophobicContact CE1-CD1 3.95Å; Y299-L356 HydrophobicContact CE1-CG 4.48Å; Y299-L356 HydrophobicContact CE2-CD1 4.15Å; Y299-L356 HydrophobicContact CG-CD1 3.74Å; Y299-D359 WeakPolarHBondContact OH-CB 3.47Å; Y299-D359 VanDerWaalsContact OH-CG 3.26Å; Y299-D359 PolarHBondContact OH-OD2 3.47Å; Y299-C418 VanDerWaalsContact CB-O 3.29Å; Y299-C418 WeakPolarHBondContact CB-O 3.38Å; Y299-F420 AromaticContact CD2-CE1 3.92Å; Y299-F420 HydrophobicContact CD2-CE1 3.92Å; Y299-F420 HydrophobicContact CD2-CZ 4.28Å; Y299-F420 HydrophobicContact CE2-CD1 4.37Å; Y299-F420 AromaticContact CE2-CE1 3.34Å; Y299-F420 HydrophobicContact CE2-CE1 3.34Å; Y299-F420 AromaticContact CE2-CZ 3.79Å; Y299-F420 HydrophobicContact CE2-CZ 3.79Å
300	T	91.3	Very high	94	Very high	61 Å²	61	30.8 Å²	30.8	37%	0.374	16%	0.158	S	C	.	.	H	α-helix	trans	-60.9	-52.4	176.3	-56.4	0	0	0	0	110.5	R298 H304	R298-T300 PolarHBondContact O-N 3.12Å; T300-H304 VanDerWaalsContact O-CB 3.29Å; T300-H304 WeakPolarHBondContact O-CB 3.34Å; T300-H304 PolarHBondContact O-N 2.95Å
301	E	89.9	Confident	93.9	Very high	69 Å²	69	31.9 Å²	31.9	32%	0.322	17%	0.165	S	C	.	.	H	α-helix	trans	-65.6	-42.7	177.4	-61.7	93.3	142	0	0	111.5	Y293 R298 H304 C305	Y293-E301 HydrophobicContact CD1-CB 4.08Å; Y293-E301 HydrophobicContact CD2-CB 3.78Å; Y293-E301 HydrophobicContact CE1-CB 4.37Å; Y293-E301 HydrophobicContact CE2-CB 4.06Å; Y293-E301 HydrophobicContact CG-CB 3.79Å; R298-E301 WeakPolarHBondContact CB-OE2 3.4Å; E301-H304 PolarHBondContact O-N 3.15Å; E301-C305 PolarHBondContact O-N 2.81Å; E301-C305 PolarHBondContact O-SG 2.54Å
302	G	95.3	Very high	93.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.3	-47.7	177	0	0	0	0	0	112.9	S290 R298 Y299 H304 C305 L306	S290-G302 VanDerWaalsContact CB-O 3.29Å; S290-G302 WeakPolarHBondContact CB-O 2.98Å; R298-G302 PolarHBondContact O-N 3.09Å; Y299-G302 PolarHBondContact O-N 3.47Å; G302-H304 VanDerWaalsContact C-N 3.34Å; G302-H304 PolarHBondContact O-N 2.65Å; G302-C305 PolarHBondContact O-N 3.21Å; G302-L306 WeakPolarHBondContact O-CG 3.32Å; G302-L306 PolarHBondContact O-N 3.32Å; G302-L306 VanDerWaalsContact O-N 3.16Å
303	R	96.1	Very high	93.7	Very high	30 Å²	30	28.4 Å²	28.4	11%	0.113	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-44.3	176.4	-171.3	-179.9	57.1	117.6	17.9	111.5	Y299 L306 A307 W349 Y352 E413 V416	Y299-R303 WeakPolarHBondContact O-CB 3.18Å; Y299-R303 PolarHBondContact O-N 3.48Å; R303-L306 PolarHBondContact O-N 3.3Å; R303-A307 WeakPolarHBondContact O-CB 3.29Å; R303-A307 PolarHBondContact O-N 2.99Å; R303-W349 HydrophobicContact CG-CH2 4.2Å; R303-W349 HydrophobicContact CG-CZ3 4.24Å; R303-Y352 HydrophobicContact CB-CE2 3.67Å; R303-Y352 WeakPolarHBondContact CB-OH 3.33Å; R303-Y352 HydrophobicContact CG-CE2 4.44Å; R303-E413 HydrophobicContact CG-CG 4.37Å; R303-E413 IonicContact CZ-OE2 2.92Å; R303-E413 PolarHBondContact NH1-O 3.42Å; R303-E413 IonicContact NH1-OE2 2.91Å; R303-E413 VanDerWaalsContact NH2-CD 3.32Å; R303-E413 IonicContact NH2-OE1 3.93Å; R303-E413 IonicContact NH2-OE2 3.95Å; R303-E413 PolarHBondContact NH2-OE2 3.21Å; R303-V416 WeakPolarHBondContact CD-O 3.26Å; R303-V416 HydrophobicContact CG-CG1 4.09Å; R303-V416 PolarHBondContact NH1-O 3.03Å
304	H	92.6	Very high	93.6	Very high	7 Å²	7	29.8 Å²	29.8	3%	0.032	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-44.2	-179.4	-175.4	66	0	0	0	111.7	T300 E301 G302 L306 A307 A308 L399 F400 E413	T300-H304 VanDerWaalsContact O-CB 3.29Å; T300-H304 WeakPolarHBondContact O-CB 3.34Å; T300-H304 PolarHBondContact O-N 2.95Å; E301-H304 PolarHBondContact O-N 3.15Å; G302-H304 VanDerWaalsContact C-N 3.34Å; G302-H304 PolarHBondContact O-N 2.65Å; H304-L306 VanDerWaalsContact C-N 3.33Å; H304-L306 PolarHBondContact O-N 3.49Å; H304-A307 PolarHBondContact O-N 3.05Å; H304-A308 WeakPolarHBondContact O-CB 3.48Å; H304-A308 PolarHBondContact O-N 3.28Å; H304-L399 WeakPolarHBondContact NE2-CA 3.36Å; H304-F400 AromaticContact CD2-CD2 3.62Å; H304-F400 PolarHBondContact CD2-N 3.11Å; H304-F400 PolarHBondContact CE1-O 3.38Å; H304-F400 VanDerWaalsContact CE1-O 3.24Å; H304-F400 WeakPolarHBondContact NE2-CA 3.42Å; H304-F400 WeakPolarHBondContact NE2-CB 3.35Å; H304-F400 AromaticContact NE2-CD2 3.89Å; H304-F400 PolarHBondContact NE2-N 3.46Å; H304-F400 PolarHBondContact NE2-O 3.3Å; H304-F400 VanDerWaalsContact NE2-O 3.09Å; H304-E413 WeakPolarHBondContact CA-OE1 3.47Å; H304-E413 WeakPolarHBondContact CB-OE1 3.42Å; H304-E413 IonicContact CE1-OE1 3.28Å; H304-E413 IonicContact CG-OE1 2.69Å; H304-E413 IonicContact ND1-OE1 3.48Å; H304-E413 PolarHBondContact ND1-OE1 2.83Å
305	C	95.4	Very high	93.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	20%	0.197	C	C	.	.	H	α-helix	trans	-56	-45.5	173.2	-67.3	0	0	0	0	112.2	A286 E301 G302 A309 F400	A286-C305 WeakPolarHBondContact O-CB 3.32Å; E301-C305 PolarHBondContact O-N 2.81Å; E301-C305 PolarHBondContact O-SG 2.54Å; G302-C305 PolarHBondContact O-N 3.21Å; C305-A309 WeakPolarHBondContact O-CB 3.21Å; C305-A309 PolarHBondContact O-N 3.41Å; C305-F400 VanDerWaalsContact SG-CE2 3.6Å
306	L	97.3	Very high	93.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71.3	-37	-178.9	-72.2	168.8	0	0	0	112.9	A287 S290 I294 G302 R303 H304 A309 T310 C348 W349 Y352	A287-L306 HydrophobicContact CB-CD2 3.98Å; S290-L306 WeakPolarHBondContact OG-CD2 3.26Å; S290-L306 VanDerWaalsContact OG-CG 3.32Å; S290-L306 WeakPolarHBondContact OG-CG 3.39Å; I294-L306 HydrophobicContact CD1-CD1 4.44Å; G302-L306 WeakPolarHBondContact O-CG 3.32Å; G302-L306 PolarHBondContact O-N 3.32Å; G302-L306 VanDerWaalsContact O-N 3.16Å; R303-L306 PolarHBondContact O-N 3.3Å; H304-L306 VanDerWaalsContact C-N 3.33Å; H304-L306 PolarHBondContact O-N 3.49Å; L306-A309 PolarHBondContact O-N 3.42Å; L306-T310 WeakPolarHBondContact O-CB 3.34Å; L306-T310 PolarHBondContact O-N 2.93Å; L306-T310 PolarHBondContact O-OG1 3.29Å; L306-C348 HydrophobicContact CD2-CB 3.52Å; L306-W349 HydrophobicContact CB-CD2 3.83Å; L306-W349 VanDerWaalsContact CB-CE2 3.46Å; L306-W349 HydrophobicContact CB-CE3 4.04Å; L306-W349 HydrophobicContact CB-CH2 3.59Å; L306-W349 HydrophobicContact CB-CZ2 3.37Å; L306-W349 HydrophobicContact CB-CZ3 3.91Å; L306-W349 HydrophobicContact CD1-CD2 3.93Å; L306-W349 HydrophobicContact CD1-CE3 3.72Å; L306-W349 HydrophobicContact CD1-CG 4.41Å; L306-W349 HydrophobicContact CD1-CZ3 4.04Å; L306-W349 HydrophobicContact CG-CD2 4.33Å; L306-W349 HydrophobicContact CG-CE3 4.47Å; L306-Y352 HydrophobicContact CD1-CD2 4.12Å; L306-Y352 HydrophobicContact CD1-CG 3.98Å
307	A	95.8	Very high	92.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-47.3	173.8	0	0	0	0	0	110.6	R303 H304 A309 T310 V311 W349 I409 V412 E413	R303-A307 WeakPolarHBondContact O-CB 3.29Å; R303-A307 PolarHBondContact O-N 2.99Å; H304-A307 PolarHBondContact O-N 3.05Å; A307-A309 PolarHBondContact O-N 3.41Å; A307-T310 WeakPolarHBondContact O-CB 3.29Å; A307-T310 PolarHBondContact O-N 2.86Å; A307-V311 WeakPolarHBondContact O-CG2 3.34Å; A307-V311 PolarHBondContact O-N 3.4Å; A307-W349 HydrophobicContact CB-CH2 4.45Å; A307-W349 HydrophobicContact CB-CZ2 4.42Å; A307-I409 HydrophobicContact CB-CG2 3.84Å; A307-V412 HydrophobicContact CB-CB 4Å; A307-V412 HydrophobicContact CB-CG1 3.88Å; A307-E413 HydrophobicContact CB-CG 3.65Å
308	A	94.7	Very high	92.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-45.9	173.5	0	0	0	0	0	112.1	W282 H304 T310 V311 I312 F400 I409	W282-A308 HydrophobicContact CH2-CB 3.87Å; W282-A308 HydrophobicContact CZ3-CB 4.11Å; H304-A308 WeakPolarHBondContact O-CB 3.48Å; H304-A308 PolarHBondContact O-N 3.28Å; A308-T310 VanDerWaalsContact C-N 3.31Å; A308-T310 PolarHBondContact O-N 3.49Å; A308-V311 PolarHBondContact O-N 2.97Å; A308-I312 WeakPolarHBondContact O-CB 3.42Å; A308-I312 VanDerWaalsContact O-CG1 3.3Å; A308-I312 WeakPolarHBondContact O-CG1 3.44Å; A308-I312 PolarHBondContact O-N 3.47Å; A308-F400 HydrophobicContact CB-CB 4.25Å; A308-I409 HydrophobicContact CB-CD1 3.92Å; A308-I409 HydrophobicContact CB-CG1 4.39Å
309	A	96.4	Very high	92.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.5	-44.8	175.4	0	0	0	0	0	112	A283 A286 A287 C305 L306 A307 S313 I345	A283-A309 HydrophobicContact CB-CB 4.24Å; A283-A309 VanDerWaalsContact CB-O 3.29Å; A283-A309 WeakPolarHBondContact CB-O 3.43Å; A283-A309 WeakPolarHBondContact O-CB 3.41Å; A286-A309 HydrophobicContact CB-CB 4.11Å; A287-A309 HydrophobicContact CB-CB 4.09Å; C305-A309 WeakPolarHBondContact O-CB 3.21Å; C305-A309 PolarHBondContact O-N 3.41Å; L306-A309 PolarHBondContact O-N 3.42Å; A307-A309 PolarHBondContact O-N 3.41Å; A309-S313 WeakPolarHBondContact O-CB 3.37Å; A309-S313 PolarHBondContact O-N 3.01Å; A309-S313 PolarHBondContact O-OG 3.41Å; A309-I345 HydrophobicContact CB-CG2 4.47Å
310	T	95.3	Very high	92.3	Very high	38 Å²	38	31.6 Å²	31.6	23%	0.233	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-47.8	179.1	-55.1	0	0	0	0	111	L306 A307 A308 S313 G314 W349 V412	L306-T310 WeakPolarHBondContact O-CB 3.34Å; L306-T310 PolarHBondContact O-N 2.93Å; L306-T310 PolarHBondContact O-OG1 3.29Å; A307-T310 WeakPolarHBondContact O-CB 3.29Å; A307-T310 PolarHBondContact O-N 2.86Å; A308-T310 VanDerWaalsContact C-N 3.31Å; A308-T310 PolarHBondContact O-N 3.49Å; T310-S313 PolarHBondContact O-OG 2.9Å; T310-G314 PolarHBondContact O-N 3.02Å; T310-W349 PolarHBondContact OG1-NE1 3.48Å; T310-V412 HydrophobicContact CG2-CG1 4.5Å; T310-V412 HydrophobicContact CG2-CG2 4.49Å
311	V	94	Very high	92.2	Very high	24 Å²	24	32 Å²	32	15%	0.145	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-49.9	179.6	172.6	0	0	0	0	111.5	A307 A308 S313 G314 T405 I409 V412	A307-V311 WeakPolarHBondContact O-CG2 3.34Å; A307-V311 PolarHBondContact O-N 3.4Å; A308-V311 PolarHBondContact O-N 2.97Å; V311-S313 VanDerWaalsContact C-N 3.34Å; V311-S313 PolarHBondContact O-N 3.17Å; V311-G314 WeakPolarHBondContact O-CA 3.33Å; V311-G314 PolarHBondContact O-N 2.86Å; V311-T405 HydrophobicContact CG1-CG2 4.43Å; V311-I409 HydrophobicContact CB-CG1 4.14Å; V311-I409 HydrophobicContact CG1-CG1 4.39Å; V311-I409 HydrophobicContact CG2-CG1 3.91Å; V311-V412 HydrophobicContact CG2-CG2 4.04Å
312	I	93.4	Very high	92.1	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-35	-177.4	-61.8	-60.2	0	0	0	111.5	L272 F277 P279 W282 A308 G314 L315 T405	L272-I312 HydrophobicContact CD2-CD1 3.91Å; L272-I312 HydrophobicContact CD2-CG1 4.27Å; F277-I312 HydrophobicContact CD2-CG2 4.4Å; F277-I312 HydrophobicContact CE2-CG2 3.66Å; F277-I312 HydrophobicContact CZ-CG2 4.41Å; P279-I312 HydrophobicContact CB-CG2 4.23Å; P279-I312 WeakPolarHBondContact CB-O 3.49Å; W282-I312 HydrophobicContact CB-CG2 4.44Å; W282-I312 HydrophobicContact CD2-CG2 4.13Å; W282-I312 HydrophobicContact CE3-CB 3.65Å; W282-I312 HydrophobicContact CE3-CG1 3.72Å; W282-I312 HydrophobicContact CE3-CG2 3.57Å; W282-I312 HydrophobicContact CG-CG2 4.49Å; W282-I312 HydrophobicContact CH2-CG1 4.22Å; W282-I312 HydrophobicContact CZ3-CB 3.85Å; W282-I312 HydrophobicContact CZ3-CG1 3.54Å; W282-I312 HydrophobicContact CZ3-CG2 4.27Å; A308-I312 WeakPolarHBondContact O-CB 3.42Å; A308-I312 VanDerWaalsContact O-CG1 3.3Å; A308-I312 WeakPolarHBondContact O-CG1 3.44Å; A308-I312 PolarHBondContact O-N 3.47Å; I312-G314 PolarHBondContact O-N 2.82Å; I312-L315 HydrophobicContact CD1-CD1 3.81Å; I312-L315 VanDerWaalsContact O-CB 3.3Å; I312-L315 WeakPolarHBondContact O-CB 3.3Å; I312-L315 PolarHBondContact O-N 2.92Å; I312-T405 HydrophobicContact CD1-CG2 4.04Å
313	S	94.1	Very high	91.8	Very high	10 Å²	10	37.5 Å²	37.5	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-26.1	173	76.7	0	0	0	0	113.1	A309 T310 V311 L315 A316	A309-S313 WeakPolarHBondContact O-CB 3.37Å; A309-S313 PolarHBondContact O-N 3.01Å; A309-S313 PolarHBondContact O-OG 3.41Å; T310-S313 PolarHBondContact O-OG 2.9Å; V311-S313 VanDerWaalsContact C-N 3.34Å; V311-S313 PolarHBondContact O-N 3.17Å; S313-L315 VanDerWaalsContact C-N 3.27Å; S313-L315 PolarHBondContact O-N 3.06Å; S313-A316 WeakPolarHBondContact O-CB 3.36Å; S313-A316 PolarHBondContact O-N 3.47Å
314	G	90.6	Very high	91.3	Very high	45 Å²	45	37.5 Å²	37.5	46%	0.464	23%	0.233	S	C	.	.	H	α-helix	trans	-66	-28.4	173.2	0	0	0	0	0	113	T310 V311 I312 A316 G317	T310-G314 PolarHBondContact O-N 3.02Å; V311-G314 WeakPolarHBondContact O-CA 3.33Å; V311-G314 PolarHBondContact O-N 2.86Å; I312-G314 PolarHBondContact O-N 2.82Å; G314-A316 PolarHBondContact O-N 2.91Å; G314-G317 PolarHBondContact O-N 2.93Å
315	L	90.3	Very high	91.1	Very high	108 Å²	108	37.9 Å²	37.9	57%	0.565	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.9	177.1	-55.4	178.9	0	0	0	113	P279 I312 S313 G317	P279-L315 HydrophobicContact CB-CB 4.21Å; P279-L315 HydrophobicContact CG-CB 4.33Å; I312-L315 HydrophobicContact CD1-CD1 3.81Å; I312-L315 VanDerWaalsContact O-CB 3.3Å; I312-L315 WeakPolarHBondContact O-CB 3.3Å; I312-L315 PolarHBondContact O-N 2.92Å; S313-L315 VanDerWaalsContact C-N 3.27Å; S313-L315 PolarHBondContact O-N 3.06Å; L315-G317 PolarHBondContact O-N 3.16Å
316	A	88.6	Confident	90.8	Very high	14 Å²	14	44.9 Å²	44.9	12%	0.116	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-8.3	175.8	0	0	0	0	0	113.6	P279 S313 G314 R334 L338	P279-A316 HydrophobicContact CB-CB 4.15Å; S313-A316 WeakPolarHBondContact O-CB 3.36Å; S313-A316 PolarHBondContact O-N 3.47Å; G314-A316 PolarHBondContact O-N 2.91Å; A316-R334 PolarHBondContact O-NH2 3.05Å; A316-L338 HydrophobicContact CB-CD2 3.7Å
317	G	86.6	Confident	90.4	Very high	33 Å²	33	52.9 Å²	52.9	34%	0.34	31%	0.307	S	S	.	.			trans	93.6	-179.7	-177.3	0	0	0	0	0	113.2	G314 L315 R342	G314-G317 PolarHBondContact O-N 2.93Å; L315-G317 PolarHBondContact O-N 3.16Å; G317-R342 PolarHBondContact O-NH2 2.9Å
318	E	86.2	Confident	90.2	Very high	174 Å²	174	55 Å²	55	81%	0.813	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-76.1	157.6	175.2	-66	-172.1	173	0	0	111.4	P320	E318-P320 WeakPolarHBondContact O-CD 3.38Å
319	V	85.9	Confident	90	Very high	29 Å²	29	62.3 Å²	62.3	18%	0.176	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-70.9	127.8	172.1	177.2	0	0	0	0	107.5	R335 L338 W339	V319-R335 HydrophobicContact CG1-CB 4.33Å; V319-R335 HydrophobicContact CG1-CG 3.39Å; V319-L338 HydrophobicContact CG2-CB 4.03Å; V319-W339 HydrophobicContact CG1-CD2 4.13Å; V319-W339 HydrophobicContact CG1-CG 3.99Å; V319-W339 VanDerWaalsContact CG2-CD1 3.43Å; V319-W339 HydrophobicContact CG2-CG 4.32Å
320	P	88.6	Confident	89.6	Confident	16 Å²	16	66.5 Å²	66.5	10%	0.104	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-49.9	153.1	176.4	-28.6	34.3	0	0	0	112.9	E318 E331 R334 R335	E318-P320 WeakPolarHBondContact O-CD 3.38Å; P320-E331 VanDerWaalsContact CG-OE2 3.29Å; P320-E331 WeakPolarHBondContact CG-OE2 3.38Å; P320-R334 HydrophobicContact CG-CG 4.4Å; P320-R335 HydrophobicContact CB-CB 4.21Å; P320-R335 HydrophobicContact CG-CB 4.16Å; P320-R335 PolarHBondContact O-NH1 3.42Å
321	S	89.5	Confident	89.3	Confident	71 Å²	71	68 Å²	68	50%	0.497	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-75.4	161.1	176.2	74.9	0	0	0	0	111.7	A323 A324 A325 R335	S321-A323 VanDerWaalsContact C-N 3.27Å; S321-A323 PolarHBondContact O-N 3.49Å; S321-A324 PolarHBondContact O-N 3.42Å; S321-A324 PolarHBondContact OG-N 3Å; S321-A325 PolarHBondContact O-N 3.47Å; S321-R335 PolarHBondContact O-NH1 3.46Å
322	E	87.4	Confident	89	Confident	129 Å²	129	69.5 Å²	69.5	60%	0.603	40%	0.397	S	S	*	.	H	α-helix	trans	-66.7	-36.1	-175.6	-167.2	-178.4	163.6	0	0	110.8	A324 A325 Q326	E322-A324 PolarHBondContact O-N 3.3Å; E322-A325 PolarHBondContact O-N 3.5Å; E322-Q326 WeakPolarHBondContact O-CG 3.29Å; E322-Q326 PolarHBondContact O-N 2.92Å
323	A	89.3	Confident	88.8	Confident	55 Å²	55	74.4 Å²	74.4	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-59.7	-45.1	172.1	0	0	0	0	0	111.9	S321 A325 Q326 E327	S321-A323 VanDerWaalsContact C-N 3.27Å; S321-A323 PolarHBondContact O-N 3.49Å; A323-A325 VanDerWaalsContact C-N 3.34Å; A323-A325 PolarHBondContact O-N 3.09Å; A323-Q326 PolarHBondContact O-N 3.35Å; A323-E327 WeakPolarHBondContact O-CG 3.39Å; A323-E327 PolarHBondContact O-N 3.32Å; A323-E327 VanDerWaalsContact O-N 3.17Å
324	A	86.2	Confident	88.6	Confident	29 Å²	29	79.6 Å²	79.6	24%	0.24	44%	0.438	C	S	.	.	H	α-helix	trans	-64.5	-38.7	178.6	0	0	0	0	0	112.4	S321 E322 Q326 E327 S328	S321-A324 PolarHBondContact O-N 3.42Å; S321-A324 PolarHBondContact OG-N 3Å; E322-A324 PolarHBondContact O-N 3.3Å; A324-Q326 VanDerWaalsContact C-N 3.32Å; A324-Q326 PolarHBondContact O-N 2.91Å; A324-E327 PolarHBondContact O-N 3.45Å; A324-S328 PolarHBondContact O-N 3.07Å
325	A	87	Confident	88.6	Confident	15 Å²	15	79.1 Å²	79.1	12%	0.124	42%	0.422	C	S	.	.	H	α-helix	trans	-66.4	-32.3	176.1	0	0	0	0	0	112.8	S321 E322 A323 E327	S321-A325 PolarHBondContact O-N 3.47Å; E322-A325 PolarHBondContact O-N 3.5Å; A323-A325 VanDerWaalsContact C-N 3.34Å; A323-A325 PolarHBondContact O-N 3.09Å; A325-E327 VanDerWaalsContact C-N 3.34Å
326	Q	89	Confident	88.6	Confident	149 Å²	149	77.5 Å²	77.5	70%	0.696	41%	0.412	S	S	*	.	H	α-helix	trans	-74.1	-25.9	175.5	-71.2	174.5	10.9	0	0	112.9	E322 A323 A324	E322-Q326 WeakPolarHBondContact O-CG 3.29Å; E322-Q326 PolarHBondContact O-N 2.92Å; A323-Q326 PolarHBondContact O-N 3.35Å; A324-Q326 VanDerWaalsContact C-N 3.32Å; A324-Q326 PolarHBondContact O-N 2.91Å
327	E	89.6	Confident	88.7	Confident	168 Å²	168	81.6 Å²	81.6	79%	0.785	43%	0.429	S	S	*	.	H	α-helix	trans	-83.3	-27.3	-178.9	-73.2	176.6	-171.9	0	0	113.5	A323 A324 A325	A323-E327 WeakPolarHBondContact O-CG 3.39Å; A323-E327 PolarHBondContact O-N 3.32Å; A323-E327 VanDerWaalsContact O-N 3.17Å; A324-E327 PolarHBondContact O-N 3.45Å; A325-E327 VanDerWaalsContact C-N 3.34Å
328	S	92.1	Very high	89	Confident	44 Å²	44	80.5 Å²	80.5	31%	0.308	42%	0.415	S	S	.	.			trans	-142.3	129.5	-179.9	-172.7	0	0	0	0	112.8	A324 T330 E331 S332	A324-S328 PolarHBondContact O-N 3.07Å; S328-T330 PolarHBondContact O-N 2.99Å; S328-T330 PolarHBondContact OG-N 3.49Å; S328-T330 PolarHBondContact OG-OG1 3.09Å; S328-E331 PolarHBondContact O-N 3.24Å; S328-E331 VanDerWaalsContact O-N 3.12Å; S328-S332 PolarHBondContact O-N 3.17Å
329	E	89.7	Confident	89.3	Confident	154 Å²	154	77.3 Å²	77.3	72%	0.72	40%	0.396	S	S	*	.	H	α-helix	trans	-56.4	-38.8	173.4	-172.9	169	-156.5	0	0	111.7	E331 S332 E333	E329-E331 VanDerWaalsContact C-N 3.33Å; E329-E331 PolarHBondContact O-N 2.65Å; E329-S332 VanDerWaalsContact O-CB 3.32Å; E329-S332 WeakPolarHBondContact O-CB 3.48Å; E329-S332 PolarHBondContact O-N 3.06Å; E329-E333 WeakPolarHBondContact O-CG 3.31Å; E329-E333 PolarHBondContact O-N 3Å
330	T	88	Confident	89.7	Confident	88 Å²	88	79.1 Å²	79.1	54%	0.54	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-37.2	178.1	63.7	0	0	0	0	113	S328 R334	S328-T330 PolarHBondContact O-N 2.99Å; S328-T330 PolarHBondContact OG-N 3.49Å; S328-T330 PolarHBondContact OG-OG1 3.09Å; T330-R334 WeakPolarHBondContact O-CB 3.37Å; T330-R334 PolarHBondContact O-N 2.84Å
331	E	88.3	Confident	90	Very high	70 Å²	70	80 Å²	80	33%	0.327	40%	0.404	S	S	.	.	H	α-helix	trans	-76.7	-32.4	177.8	-71.4	-60	138.1	0	0	110.9	P320 S328 E329 R335	P320-E331 VanDerWaalsContact CG-OE2 3.29Å; P320-E331 WeakPolarHBondContact CG-OE2 3.38Å; S328-E331 PolarHBondContact O-N 3.24Å; S328-E331 VanDerWaalsContact O-N 3.12Å; E329-E331 VanDerWaalsContact C-N 3.33Å; E329-E331 PolarHBondContact O-N 2.65Å; E331-R335 VanDerWaalsContact O-CB 3.26Å; E331-R335 WeakPolarHBondContact O-CB 3.28Å; E331-R335 PolarHBondContact O-N 3.28Å
332	S	89.1	Confident	90.2	Very high	55 Å²	55	80.4 Å²	80.4	39%	0.385	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-51.5	170.8	-168	0	0	0	0	111.5	S328 E329 R334 R335 E336	S328-S332 PolarHBondContact O-N 3.17Å; E329-S332 VanDerWaalsContact O-CB 3.32Å; E329-S332 WeakPolarHBondContact O-CB 3.48Å; E329-S332 PolarHBondContact O-N 3.06Å; S332-R334 PolarHBondContact O-N 2.77Å; S332-R335 WeakPolarHBondContact O-CB 3.23Å; S332-R335 PolarHBondContact O-N 3.06Å; S332-E336 PolarHBondContact O-N 3.4Å
333	E	89.7	Confident	90.7	Very high	106 Å²	106	74.5 Å²	74.5	50%	0.495	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-44.1	176.9	-71.2	178.4	174.5	0	0	111.9	E329 R335 E336 Q337	E329-E333 WeakPolarHBondContact O-CG 3.31Å; E329-E333 PolarHBondContact O-N 3Å; E333-R335 VanDerWaalsContact C-N 3.33Å; E333-R335 PolarHBondContact O-N 3.35Å; E333-E336 PolarHBondContact O-N 3.29Å; E333-Q337 WeakPolarHBondContact O-CB 3.37Å; E333-Q337 VanDerWaalsContact O-CG 3.3Å; E333-Q337 WeakPolarHBondContact O-CG 3.21Å; E333-Q337 PolarHBondContact O-N 2.64Å
334	R	88.6	Confident	91	Very high	120 Å²	120	74.5 Å²	74.5	45%	0.453	36%	0.359	S	S	.	.	H	α-helix	trans	-60.9	-43.2	176.8	-174.4	-174.4	-177.8	106.1	5.8	111.4	A316 P320 T330 S332 L338	A316-R334 PolarHBondContact O-NH2 3.05Å; P320-R334 HydrophobicContact CG-CG 4.4Å; T330-R334 WeakPolarHBondContact O-CB 3.37Å; T330-R334 PolarHBondContact O-N 2.84Å; S332-R334 PolarHBondContact O-N 2.77Å; R334-L338 HydrophobicContact CG-CD1 4.14Å; R334-L338 WeakPolarHBondContact O-CB 3.16Å; R334-L338 WeakPolarHBondContact O-CG 3.3Å; R334-L338 PolarHBondContact O-N 3.45Å
335	R	90.9	Very high	91.6	Very high	34 Å²	34	73.5 Å²	73.5	13%	0.128	35%	0.349	C	S	.	.	H	α-helix	trans	-59.4	-50.2	177.5	-171.9	-149	-175.7	86.4	7.3	110.9	V319 P320 S321 E331 S332 E333 L338 W339	V319-R335 HydrophobicContact CG1-CB 4.33Å; V319-R335 HydrophobicContact CG1-CG 3.39Å; P320-R335 HydrophobicContact CB-CB 4.21Å; P320-R335 HydrophobicContact CG-CB 4.16Å; P320-R335 PolarHBondContact O-NH1 3.42Å; S321-R335 PolarHBondContact O-NH1 3.46Å; E331-R335 VanDerWaalsContact O-CB 3.26Å; E331-R335 WeakPolarHBondContact O-CB 3.28Å; E331-R335 PolarHBondContact O-N 3.28Å; S332-R335 WeakPolarHBondContact O-CB 3.23Å; S332-R335 PolarHBondContact O-N 3.06Å; E333-R335 VanDerWaalsContact C-N 3.33Å; E333-R335 PolarHBondContact O-N 3.35Å; R335-L338 PolarHBondContact O-N 2.97Å; R335-W339 HydrophobicContact CG-CE3 4.47Å; R335-W339 VanDerWaalsContact NE-CZ3 3.26Å; R335-W339 WeakPolarHBondContact O-CB 3.48Å; R335-W339 PolarHBondContact O-N 3.44Å
336	E	90.6	Very high	92.1	Very high	75 Å²	75	72.8 Å²	72.8	35%	0.35	34%	0.344	S	S	.	.	H	α-helix	trans	-59.1	-50.1	-179.5	-172.5	62.4	-165.7	0	0	111	S332 E333 L338 W339 Q340 Y444 Y450	S332-E336 PolarHBondContact O-N 3.4Å; E333-E336 PolarHBondContact O-N 3.29Å; E336-L338 PolarHBondContact O-N 3.05Å; E336-W339 PolarHBondContact O-N 3.29Å; E336-Q340 WeakPolarHBondContact O-CB 3.45Å; E336-Q340 PolarHBondContact O-N 3.43Å; E336-Y444 VanDerWaalsContact OE1-CE2 3.25Å; E336-Y444 WeakPolarHBondContact OE1-CE2 3.49Å; E336-Y444 VanDerWaalsContact OE1-CZ 3.28Å; E336-Y444 PolarHBondContact OE1-OH 3.29Å; E336-Y450 PolarHBondContact OE1-OH 3.02Å
337	Q	90.9	Very high	92.6	Very high	99 Å²	99	67.9 Å²	67.9	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-59.9	-42.4	178.9	-71.2	177.6	17.8	0	0	112.8	E333 K341	E333-Q337 WeakPolarHBondContact O-CB 3.37Å; E333-Q337 VanDerWaalsContact O-CG 3.3Å; E333-Q337 WeakPolarHBondContact O-CG 3.21Å; E333-Q337 PolarHBondContact O-N 2.64Å; Q337-K341 WeakPolarHBondContact O-CB 3.46Å; Q337-K341 WeakPolarHBondContact O-CG 3.33Å; Q337-K341 PolarHBondContact O-N 3.36Å
338	L	92.1	Very high	93	Very high	11 Å²	11	60.8 Å²	60.8	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-40.7	179.7	-71.3	177.2	0	0	0	111.9	M280 A316 V319 R334 R335 E336 R342	M280-L338 HydrophobicContact CG-CD2 4.43Å; M280-L338 HydrophobicContact SD-CD2 4.31Å; A316-L338 HydrophobicContact CB-CD2 3.7Å; V319-L338 HydrophobicContact CG2-CB 4.03Å; R334-L338 HydrophobicContact CG-CD1 4.14Å; R334-L338 WeakPolarHBondContact O-CB 3.16Å; R334-L338 WeakPolarHBondContact O-CG 3.3Å; R334-L338 PolarHBondContact O-N 3.45Å; R335-L338 PolarHBondContact O-N 2.97Å; E336-L338 PolarHBondContact O-N 3.05Å; L338-R342 WeakPolarHBondContact O-CB 3.49Å; L338-R342 WeakPolarHBondContact O-CG 3.47Å; L338-R342 PolarHBondContact O-N 3.3Å; L338-R342 VanDerWaalsContact O-N 3.15Å
339	W	91.9	Very high	93.3	Very high	106 Å²	106	58.8 Å²	58.8	40%	0.402	27%	0.273	S	S	.	.	H	α-helix	trans	-65.4	-50	177.4	-95.1	-10.4	0	0	0	112.3	V319 R335 E336 K341 R342 A343 Y444	V319-W339 HydrophobicContact CG1-CD2 4.13Å; V319-W339 HydrophobicContact CG1-CG 3.99Å; V319-W339 VanDerWaalsContact CG2-CD1 3.43Å; V319-W339 HydrophobicContact CG2-CG 4.32Å; R335-W339 HydrophobicContact CG-CE3 4.47Å; R335-W339 VanDerWaalsContact NE-CZ3 3.26Å; R335-W339 WeakPolarHBondContact O-CB 3.48Å; R335-W339 PolarHBondContact O-N 3.44Å; E336-W339 PolarHBondContact O-N 3.29Å; W339-K341 PolarHBondContact O-N 3.33Å; W339-R342 PolarHBondContact O-N 3.29Å; W339-A343 PolarHBondContact O-N 3.36Å; W339-Y444 HydrophobicContact CB-CD2 3.7Å; W339-Y444 HydrophobicContact CB-CE2 4.08Å; W339-Y444 HydrophobicContact CE3-CD2 4.44Å
340	Q	94.3	Very high	93.8	Very high	68 Å²	68	51.4 Å²	51.4	32%	0.318	24%	0.239	S	C	.	.	H	α-helix	trans	-54.3	-56.2	178.6	-174.6	-175.4	-7.4	0	0	111.1	E336 R342 A343 E344 Y444	E336-Q340 WeakPolarHBondContact O-CB 3.45Å; E336-Q340 PolarHBondContact O-N 3.43Å; Q340-R342 VanDerWaalsContact C-N 3.26Å; Q340-R342 PolarHBondContact O-N 2.82Å; Q340-A343 WeakPolarHBondContact O-CB 3.5Å; Q340-A343 PolarHBondContact O-N 2.86Å; Q340-E344 WeakPolarHBondContact CG-OE1 3.44Å; Q340-E344 PolarHBondContact NE2-OE1 3.43Å; Q340-E344 WeakPolarHBondContact O-CG 3.48Å; Q340-E344 PolarHBondContact O-N 3.17Å; Q340-Y444 HydrophobicContact CB-CE1 3.73Å; Q340-Y444 HydrophobicContact CB-CE2 4.12Å; Q340-Y444 VanDerWaalsContact CB-CZ 3.48Å; Q340-Y444 WeakPolarHBondContact CB-OH 3.42Å; Q340-Y444 HydrophobicContact CG-CE1 3.68Å
341	K	94.9	Very high	94.3	Very high	33 Å²	33	50.4 Å²	50.4	14%	0.143	23%	0.227	C	C	.	.	H	α-helix	trans	-67	-29.5	-173.1	-61.4	-179.2	175.8	169.7	0	111.7	M280 E281 L284 Q337 W339 E344 I345	M280-K341 HydrophobicContact CB-CD 4.11Å; M280-K341 HydrophobicContact CE-CB 3.19Å; M280-K341 WeakPolarHBondContact CE-O 3.25Å; M280-K341 HydrophobicContact CG-CB 3.58Å; M280-K341 HydrophobicContact CG-CD 3.36Å; M280-K341 HydrophobicContact CG-CG 4.12Å; M280-K341 HydrophobicContact SD-CB 4.21Å; E281-K341 IonicContact OE1-NZ 3.46Å; E281-K341 PolarHBondContact OE1-NZ 3.44Å; L284-K341 HydrophobicContact CD1-CB 3.92Å; L284-K341 HydrophobicContact CD1-CD 3.65Å; L284-K341 HydrophobicContact CD1-CG 3.63Å; L284-K341 HydrophobicContact CD2-CB 4.21Å; L284-K341 HydrophobicContact CG-CB 4.16Å; L284-K341 HydrophobicContact CG-CG 4.42Å; Q337-K341 WeakPolarHBondContact O-CB 3.46Å; Q337-K341 WeakPolarHBondContact O-CG 3.33Å; Q337-K341 PolarHBondContact O-N 3.36Å; W339-K341 PolarHBondContact O-N 3.33Å; K341-E344 PolarHBondContact O-N 2.98Å; K341-I345 WeakPolarHBondContact O-CG1 3.36Å; K341-I345 PolarHBondContact O-N 3.22Å; K341-I345 VanDerWaalsContact O-N 3.11Å
342	R	95.5	Very high	94.7	Very high	80 Å²	80	47.1 Å²	47.1	30%	0.302	21%	0.212	S	C	.	.	H	α-helix	trans	-69.4	-40.7	172.7	-78.3	177.1	178.8	-175.9	2.5	111.7	M280 G317 L338 W339 Q340 E344 I345 A346	M280-R342 HydrophobicContact CE-CB 4.32Å; M280-R342 HydrophobicContact CE-CG 3.65Å; G317-R342 PolarHBondContact O-NH2 2.9Å; L338-R342 WeakPolarHBondContact O-CB 3.49Å; L338-R342 WeakPolarHBondContact O-CG 3.47Å; L338-R342 PolarHBondContact O-N 3.3Å; L338-R342 VanDerWaalsContact O-N 3.15Å; W339-R342 PolarHBondContact O-N 3.29Å; Q340-R342 VanDerWaalsContact C-N 3.26Å; Q340-R342 PolarHBondContact O-N 2.82Å; R342-E344 VanDerWaalsContact C-N 3.31Å; R342-I345 PolarHBondContact O-N 2.87Å; R342-A346 PolarHBondContact O-N 2.67Å
343	A	96.3	Very high	95.2	Very high	5 Å²	5	44.5 Å²	44.5	4%	0.041	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-35.4	175.4	0	0	0	0	0	111.6	W339 Q340 A346 R347 Y444 F445	W339-A343 PolarHBondContact O-N 3.36Å; Q340-A343 WeakPolarHBondContact O-CB 3.5Å; Q340-A343 PolarHBondContact O-N 2.86Å; A343-A346 WeakPolarHBondContact O-CB 3.21Å; A343-A346 PolarHBondContact O-N 3Å; A343-R347 WeakPolarHBondContact O-CG 3.42Å; A343-R347 PolarHBondContact O-N 3.33Å; A343-Y444 HydrophobicContact CB-CD1 3.93Å; A343-Y444 HydrophobicContact CB-CG 4.1Å; A343-F445 HydrophobicContact CB-CD2 3.77Å; A343-F445 HydrophobicContact CB-CE2 3.42Å; A343-F445 VanDerWaalsContact CB-CE2 3.42Å; A343-F445 HydrophobicContact CB-CZ 4.29Å
344	E	97.3	Very high	95.6	Very high	56 Å²	56	39.8 Å²	39.8	26%	0.262	17%	0.171	S	C	.	.	H	α-helix	trans	-64.1	-43.2	172.8	-71	171.9	-174.5	0	0	112.5	L284 Q340 K341 R342 A346 R347 C348 F445	L284-E344 HydrophobicContact CD2-CB 3.89Å; L284-E344 WeakPolarHBondContact CD2-OE2 3.34Å; Q340-E344 WeakPolarHBondContact CG-OE1 3.44Å; Q340-E344 PolarHBondContact NE2-OE1 3.43Å; Q340-E344 WeakPolarHBondContact O-CG 3.48Å; Q340-E344 PolarHBondContact O-N 3.17Å; K341-E344 PolarHBondContact O-N 2.98Å; R342-E344 VanDerWaalsContact C-N 3.31Å; E344-A346 VanDerWaalsContact C-N 3.29Å; E344-A346 PolarHBondContact O-N 3.32Å; E344-R347 WeakPolarHBondContact O-CB 3.12Å; E344-R347 PolarHBondContact O-N 3.3Å; E344-C348 PolarHBondContact O-N 3.17Å; E344-C348 VanDerWaalsContact O-N 3.1Å; E344-C348 PolarHBondContact O-SG 3.36Å; E344-F445 HydrophobicContact CG-CZ 4.12Å
345	I	97.9	Very high	96.1	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.036	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-40.6	172.2	-64.5	166.6	0	0	0	110.4	M280 A283 L284 A287 A309 K341 R342 R347 C348 W349	M280-I345 HydrophobicContact CE-CD1 3.7Å; A283-I345 HydrophobicContact CB-CD1 3.81Å; L284-I345 HydrophobicContact CD2-CG1 4.04Å; A287-I345 HydrophobicContact CB-CG1 4.1Å; A309-I345 HydrophobicContact CB-CG2 4.47Å; K341-I345 WeakPolarHBondContact O-CG1 3.36Å; K341-I345 PolarHBondContact O-N 3.22Å; K341-I345 VanDerWaalsContact O-N 3.11Å; R342-I345 PolarHBondContact O-N 2.87Å; I345-R347 VanDerWaalsContact C-N 3.34Å; I345-R347 PolarHBondContact O-N 2.84Å; I345-C348 WeakPolarHBondContact O-CB 3.43Å; I345-C348 PolarHBondContact O-N 3.33Å; I345-C348 VanDerWaalsContact O-N 3.15Å; I345-W349 PolarHBondContact O-N 3.1Å; I345-W349 VanDerWaalsContact O-N 3.11Å
346	A	98.3	Very high	96.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-41.6	175.3	0	0	0	0	0	111.7	R342 A343 E344 C348 W349 I350 Y437 Q440 A441	R342-A346 PolarHBondContact O-N 2.67Å; A343-A346 WeakPolarHBondContact O-CB 3.21Å; A343-A346 PolarHBondContact O-N 3Å; E344-A346 VanDerWaalsContact C-N 3.29Å; E344-A346 PolarHBondContact O-N 3.32Å; A346-C348 VanDerWaalsContact C-N 3.28Å; A346-C348 PolarHBondContact O-N 3.03Å; A346-W349 WeakPolarHBondContact O-CB 3.34Å; A346-W349 PolarHBondContact O-N 3.29Å; A346-W349 VanDerWaalsContact O-N 3.12Å; A346-I350 WeakPolarHBondContact O-CG1 3.21Å; A346-I350 PolarHBondContact O-N 2.79Å; A346-Y437 HydrophobicContact CB-CD1 3.88Å; A346-Q440 HydrophobicContact CB-CB 4.3Å; A346-A441 HydrophobicContact CB-CB 4.08Å
347	R	98.4	Very high	96.8	Very high	45 Å²	45	30.9 Å²	30.9	17%	0.17	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-40	173.1	-70.2	177.2	72.3	175.9	5.2	112.1	A343 E344 I345 W349 I350 K351 A441 F445 D453 E456 I457	A343-R347 WeakPolarHBondContact O-CG 3.42Å; A343-R347 PolarHBondContact O-N 3.33Å; E344-R347 WeakPolarHBondContact O-CB 3.12Å; E344-R347 PolarHBondContact O-N 3.3Å; I345-R347 VanDerWaalsContact C-N 3.34Å; I345-R347 PolarHBondContact O-N 2.84Å; R347-W349 VanDerWaalsContact C-N 3.33Å; R347-W349 PolarHBondContact O-N 3.4Å; R347-I350 WeakPolarHBondContact O-CB 3.33Å; R347-I350 PolarHBondContact O-N 2.71Å; R347-K351 WeakPolarHBondContact O-CG 3.45Å; R347-K351 PolarHBondContact O-N 2.91Å; R347-A441 HydrophobicContact CG-CB 4.15Å; R347-F445 HydrophobicContact CG-CE2 4.3Å; R347-D453 IonicContact CZ-OD1 2.69Å; R347-D453 IonicContact NH1-OD1 2.77Å; R347-D453 PolarHBondContact NH1-OD1 3.48Å; R347-D453 IonicContact NH2-OD1 2.97Å; R347-E456 IonicContact CZ-OE2 3.36Å; R347-E456 IonicContact NH2-OE2 2.81Å; R347-E456 PolarHBondContact NH2-OE2 2.98Å; R347-I457 HydrophobicContact CG-CD1 4.23Å; R347-I457 HydrophobicContact CG-CG1 4.14Å
348	C	98.6	Very high	97.2	Very high	20 Å²	20	29.8 Å²	29.8	14%	0.135	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-37.4	176.2	-61.8	0	0	0	0	112.5	A287 Q291 L306 E344 I345 A346 K351 Y352	A287-C348 HydrophobicContact CB-CB 4.23Å; Q291-C348 PolarHBondContact NE2-O 3.5Å; Q291-C348 VanDerWaalsContact NE2-O 3.16Å; L306-C348 HydrophobicContact CD2-CB 3.52Å; E344-C348 PolarHBondContact O-N 3.17Å; E344-C348 VanDerWaalsContact O-N 3.1Å; E344-C348 PolarHBondContact O-SG 3.36Å; I345-C348 WeakPolarHBondContact O-CB 3.43Å; I345-C348 PolarHBondContact O-N 3.33Å; I345-C348 VanDerWaalsContact O-N 3.15Å; A346-C348 VanDerWaalsContact C-N 3.28Å; A346-C348 PolarHBondContact O-N 3.03Å; C348-K351 PolarHBondContact O-N 2.88Å; C348-Y352 PolarHBondContact O-N 2.61Å
349	W	98.6	Very high	97.5	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-38.2	172	-83.3	114.9	0	0	0	113.6	R303 L306 A307 T310 I345 A346 R347 K351 Y352 C353 V412 V416 Y437	R303-W349 HydrophobicContact CG-CH2 4.2Å; R303-W349 HydrophobicContact CG-CZ3 4.24Å; L306-W349 HydrophobicContact CB-CD2 3.83Å; L306-W349 VanDerWaalsContact CB-CE2 3.46Å; L306-W349 HydrophobicContact CB-CE3 4.04Å; L306-W349 HydrophobicContact CB-CH2 3.59Å; L306-W349 HydrophobicContact CB-CZ2 3.37Å; L306-W349 HydrophobicContact CB-CZ3 3.91Å; L306-W349 HydrophobicContact CD1-CD2 3.93Å; L306-W349 HydrophobicContact CD1-CE3 3.72Å; L306-W349 HydrophobicContact CD1-CG 4.41Å; L306-W349 HydrophobicContact CD1-CZ3 4.04Å; L306-W349 HydrophobicContact CG-CD2 4.33Å; L306-W349 HydrophobicContact CG-CE3 4.47Å; A307-W349 HydrophobicContact CB-CH2 4.45Å; A307-W349 HydrophobicContact CB-CZ2 4.42Å; T310-W349 PolarHBondContact OG1-NE1 3.48Å; I345-W349 PolarHBondContact O-N 3.1Å; I345-W349 VanDerWaalsContact O-N 3.11Å; A346-W349 WeakPolarHBondContact O-CB 3.34Å; A346-W349 PolarHBondContact O-N 3.29Å; A346-W349 VanDerWaalsContact O-N 3.12Å; R347-W349 VanDerWaalsContact C-N 3.33Å; R347-W349 PolarHBondContact O-N 3.4Å; W349-K351 VanDerWaalsContact C-N 3.32Å; W349-Y352 HydrophobicContact CE3-CD1 4.12Å; W349-Y352 HydrophobicContact CE3-CG 4.37Å; W349-Y352 HydrophobicContact CZ3-CD1 4.12Å; W349-Y352 HydrophobicContact CZ3-CE1 4.45Å; W349-Y352 HydrophobicContact CZ3-CG 4.48Å; W349-Y352 WeakPolarHBondContact O-CB 3.46Å; W349-Y352 PolarHBondContact O-N 2.91Å; W349-C353 PolarHBondContact O-N 3.5Å; W349-C353 PolarHBondContact O-SG 3.11Å; W349-V412 HydrophobicContact CH2-CG1 4.35Å; W349-V412 HydrophobicContact CZ2-CG1 3.82Å; W349-V416 HydrophobicContact CE3-CG1 4.45Å; W349-V416 HydrophobicContact CH2-CG1 4.18Å; W349-V416 HydrophobicContact CZ3-CG1 3.62Å; W349-Y437 HydrophobicContact CB-CD1 3.95Å; W349-Y437 HydrophobicContact CB-CD2 3.42Å; W349-Y437 VanDerWaalsContact CB-CD2 3.42Å; W349-Y437 HydrophobicContact CB-CE1 4.2Å; W349-Y437 HydrophobicContact CB-CE2 3.71Å; W349-Y437 HydrophobicContact CB-CG 3.54Å; W349-Y437 AromaticContact CD1-CD1 3.94Å; W349-Y437 AromaticContact CD1-CE1 3.43Å; W349-Y437 VanDerWaalsContact CD1-CE1 3.43Å; W349-Y437 AromaticContact CD1-CE2 3.89Å; W349-Y437 AromaticContact CD1-CZ 3.39Å; W349-Y437 HydrophobicContact CD2-CD2 4.41Å; W349-Y437 AromaticContact CD2-CE2 3.78Å; W349-Y437 HydrophobicContact CD2-CE2 3.78Å; W349-Y437 AromaticContact CD2-CZ 3.91Å; W349-Y437 AromaticContact CE2-CZ 3.91Å; W349-Y437 HydrophobicContact CE3-CE2 4.35Å; W349-Y437 HydrophobicContact CG-CD1 4.12Å; W349-Y437 AromaticContact CG-CD2 3.81Å; W349-Y437 HydrophobicContact CG-CD2 3.81Å; W349-Y437 AromaticContact CG-CE1 3.87Å; W349-Y437 HydrophobicContact CG-CE1 3.87Å; W349-Y437 AromaticContact CG-CE2 3.52Å; W349-Y437 HydrophobicContact CG-CE2 3.52Å; W349-Y437 HydrophobicContact CG-CG 4.09Å; W349-Y437 AromaticContact CG-CZ 3.54Å; W349-Y437 AromaticContact NE1-CE1 3.94Å; W349-Y437 AromaticContact NE1-CZ 3.6Å; W349-Y437 PolarHBondContact NE1-OH 3.4Å
350	I	98.7	Very high	97.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-48.6	173.9	-63	167.3	0	0	0	109.3	A346 R347 Y352 C353 L354 V438 A441 I457 D460 L464	A346-I350 WeakPolarHBondContact O-CG1 3.21Å; A346-I350 PolarHBondContact O-N 2.79Å; R347-I350 WeakPolarHBondContact O-CB 3.33Å; R347-I350 PolarHBondContact O-N 2.71Å; I350-Y352 VanDerWaalsContact C-N 3.35Å; I350-Y352 PolarHBondContact O-N 2.98Å; I350-C353 PolarHBondContact O-N 3.05Å; I350-L354 VanDerWaalsContact O-CB 3.31Å; I350-L354 WeakPolarHBondContact O-CB 3.39Å; I350-L354 PolarHBondContact O-N 3.45Å; I350-V438 HydrophobicContact CD1-CB 4.24Å; I350-V438 HydrophobicContact CD1-CG2 3.73Å; I350-V438 HydrophobicContact CG1-CG2 3.89Å; I350-V438 HydrophobicContact CG2-CG2 4.12Å; I350-A441 HydrophobicContact CD1-CB 4.07Å; I350-I457 HydrophobicContact CD1-CG2 4.2Å; I350-D460 HydrophobicContact CG2-CB 3.61Å; I350-L464 HydrophobicContact CG2-CD1 4.3Å
351	K	98.4	Very high	97.9	Very high	67 Å²	67	26.1 Å²	26.1	29%	0.291	12%	0.121	S	C	.	.	H	α-helix	trans	-62	-39.9	177.4	-65.2	-58.8	-173.6	-174	0	112.3	R347 C348 W349 L354 N355 D460	R347-K351 WeakPolarHBondContact O-CG 3.45Å; R347-K351 PolarHBondContact O-N 2.91Å; C348-K351 PolarHBondContact O-N 2.88Å; W349-K351 VanDerWaalsContact C-N 3.32Å; K351-L354 PolarHBondContact O-N 3.15Å; K351-N355 WeakPolarHBondContact O-CB 3.43Å; K351-N355 PolarHBondContact O-N 3.12Å; K351-N355 PolarHBondContact O-ND2 3.1Å; K351-D460 WeakPolarHBondContact CE-OD2 3.12Å; K351-D460 IonicContact NZ-OD1 3.02Å; K351-D460 PolarHBondContact NZ-OD1 3.28Å; K351-D460 IonicContact NZ-OD2 2.71Å; K351-D460 PolarHBondContact NZ-OD2 3.31Å
352	Y	98.7	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57	-53.6	173.6	174.7	-89.4	0	0	0	111.8	I294 Y299 R303 L306 C348 W349 I350 L354 N355 L356 V416 M417 C418	I294-Y352 HydrophobicContact CD1-CD2 3.78Å; I294-Y352 HydrophobicContact CD1-CG 4.27Å; I294-Y352 HydrophobicContact CG1-CD2 3.84Å; Y299-Y352 HydrophobicContact CD1-CD2 4.22Å; Y299-Y352 AromaticContact CD1-CE2 3.76Å; Y299-Y352 HydrophobicContact CD1-CE2 3.76Å; Y299-Y352 HydrophobicContact CG-CE2 4.46Å; Y299-Y352 WeakPolarHBondContact O-CE2 3.49Å; R303-Y352 HydrophobicContact CB-CE2 3.67Å; R303-Y352 WeakPolarHBondContact CB-OH 3.33Å; R303-Y352 HydrophobicContact CG-CE2 4.44Å; L306-Y352 HydrophobicContact CD1-CD2 4.12Å; L306-Y352 HydrophobicContact CD1-CG 3.98Å; C348-Y352 PolarHBondContact O-N 2.61Å; W349-Y352 HydrophobicContact CE3-CD1 4.12Å; W349-Y352 HydrophobicContact CE3-CG 4.37Å; W349-Y352 HydrophobicContact CZ3-CD1 4.12Å; W349-Y352 HydrophobicContact CZ3-CE1 4.45Å; W349-Y352 HydrophobicContact CZ3-CG 4.48Å; W349-Y352 WeakPolarHBondContact O-CB 3.46Å; W349-Y352 PolarHBondContact O-N 2.91Å; I350-Y352 VanDerWaalsContact C-N 3.35Å; I350-Y352 PolarHBondContact O-N 2.98Å; Y352-L354 VanDerWaalsContact C-N 3.31Å; Y352-L354 PolarHBondContact O-N 2.83Å; Y352-N355 PolarHBondContact O-N 3.11Å; Y352-L356 HydrophobicContact CE1-CD2 4.16Å; Y352-L356 WeakPolarHBondContact O-CB 3.43Å; Y352-L356 PolarHBondContact O-N 2.69Å; Y352-V416 HydrophobicContact CE1-CG1 4Å; Y352-V416 HydrophobicContact CE1-CG2 3.92Å; Y352-M417 PolarHBondContact OH-O 2.92Å; Y352-C418 VanDerWaalsContact OH-CA 3.25Å; Y352-C418 WeakPolarHBondContact OH-CA 3.34Å
353	C	98.8	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.8	-41	-178.5	-62.5	0	0	0	0	111.5	W349 I350 L357 V430 L464	W349-C353 PolarHBondContact O-N 3.5Å; W349-C353 PolarHBondContact O-SG 3.11Å; I350-C353 PolarHBondContact O-N 3.05Å; C353-L357 WeakPolarHBondContact O-CG 3.44Å; C353-L357 PolarHBondContact O-N 3.26Å; C353-L357 VanDerWaalsContact O-N 3.13Å; C353-V430 HydrophobicContact CB-CG1 3.82Å; C353-L464 HydrophobicContact CB-CD2 4.19Å
354	L	98.6	Very high	98	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-65.4	-50.6	180	179.4	58.9	0	0	0	111.9	I350 K351 Y352 L356 L357 Q358 D460 L464	I350-L354 VanDerWaalsContact O-CB 3.31Å; I350-L354 WeakPolarHBondContact O-CB 3.39Å; I350-L354 PolarHBondContact O-N 3.45Å; K351-L354 PolarHBondContact O-N 3.15Å; Y352-L354 VanDerWaalsContact C-N 3.31Å; Y352-L354 PolarHBondContact O-N 2.83Å; L354-L356 VanDerWaalsContact C-N 3.33Å; L354-L356 PolarHBondContact O-N 3.04Å; L354-L357 PolarHBondContact O-N 3.24Å; L354-Q358 HydrophobicContact CD1-CG 4.01Å; L354-Q358 HydrophobicContact CG-CG 4.4Å; L354-Q358 WeakPolarHBondContact O-CB 3.42Å; L354-Q358 VanDerWaalsContact O-CG 3.31Å; L354-Q358 WeakPolarHBondContact O-CG 3.34Å; L354-Q358 PolarHBondContact O-N 3.43Å; L354-D460 HydrophobicContact CD2-CB 4.48Å; L354-L464 HydrophobicContact CB-CD2 3.94Å; L354-L464 HydrophobicContact CB-CG 4.47Å; L354-L464 HydrophobicContact CD1-CD2 4.17Å; L354-L464 HydrophobicContact CD1-CG 4.33Å
355	N	98.5	Very high	98	Very high	43 Å²	43	32 Å²	32	23%	0.23	15%	0.151	C	C	.	.	H	α-helix	trans	-63.3	-40.9	179.4	-79.2	-91.1	0	0	0	110.8	I294 Y299 K351 Y352 L357 Q358 D359	I294-N355 HydrophobicContact CG2-CB 3.44Å; I294-N355 VanDerWaalsContact CG2-CB 3.44Å; Y299-N355 HydrophobicContact CE1-CB 4.28Å; Y299-N355 VanDerWaalsContact OH-C 3.27Å; Y299-N355 PolarHBondContact OH-O 3.31Å; K351-N355 WeakPolarHBondContact O-CB 3.43Å; K351-N355 PolarHBondContact O-N 3.12Å; K351-N355 PolarHBondContact O-ND2 3.1Å; Y352-N355 PolarHBondContact O-N 3.11Å; N355-L357 VanDerWaalsContact C-N 3.31Å; N355-L357 PolarHBondContact O-N 3.36Å; N355-Q358 PolarHBondContact O-N 3.15Å; N355-D359 WeakPolarHBondContact O-CB 3.49Å; N355-D359 PolarHBondContact O-N 3.02Å
356	L	98.5	Very high	97.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-42	177.6	-176.4	65.7	0	0	0	111.9	Y299 Y352 L354 A360 M417 F420 V430	Y299-L356 HydrophobicContact CD1-CB 4.07Å; Y299-L356 HydrophobicContact CD1-CD1 3.76Å; Y299-L356 HydrophobicContact CD1-CG 4.46Å; Y299-L356 HydrophobicContact CD2-CD1 3.95Å; Y299-L356 HydrophobicContact CE1-CB 3.75Å; Y299-L356 HydrophobicContact CE1-CD1 3.95Å; Y299-L356 HydrophobicContact CE1-CG 4.48Å; Y299-L356 HydrophobicContact CE2-CD1 4.15Å; Y299-L356 HydrophobicContact CG-CD1 3.74Å; Y352-L356 HydrophobicContact CE1-CD2 4.16Å; Y352-L356 WeakPolarHBondContact O-CB 3.43Å; Y352-L356 PolarHBondContact O-N 2.69Å; L354-L356 VanDerWaalsContact C-N 3.33Å; L354-L356 PolarHBondContact O-N 3.04Å; L356-A360 WeakPolarHBondContact O-CB 3.35Å; L356-A360 PolarHBondContact O-N 3.34Å; L356-A360 VanDerWaalsContact O-N 3.15Å; L356-M417 HydrophobicContact CD2-CG 4.19Å; L356-M417 WeakPolarHBondContact CD2-O 3.21Å; L356-F420 HydrophobicContact CD1-CD1 3.73Å; L356-F420 HydrophobicContact CD1-CE1 4.14Å; L356-V430 HydrophobicContact CD2-CG1 4.16Å; L356-V430 HydrophobicContact CD2-CG2 4.03Å
357	L	98.6	Very high	97.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-70.2	-39.8	176.5	-72.8	166.7	0	0	0	112.6	C353 L354 N355 K361 P421 A427 V430 F431 L464 A467 F471	C353-L357 WeakPolarHBondContact O-CG 3.44Å; C353-L357 PolarHBondContact O-N 3.26Å; C353-L357 VanDerWaalsContact O-N 3.13Å; L354-L357 PolarHBondContact O-N 3.24Å; N355-L357 VanDerWaalsContact C-N 3.31Å; N355-L357 PolarHBondContact O-N 3.36Å; L357-K361 WeakPolarHBondContact O-CB 3.3Å; L357-K361 PolarHBondContact O-N 3.43Å; L357-P421 HydrophobicContact CD2-CG 3.81Å; L357-A427 HydrophobicContact CD2-CB 3.69Å; L357-V430 HydrophobicContact CD1-CG1 4.09Å; L357-V430 HydrophobicContact CD2-CB 4.27Å; L357-V430 HydrophobicContact CD2-CG1 4.39Å; L357-V430 HydrophobicContact CG-CB 4.32Å; L357-V430 HydrophobicContact CG-CG1 3.9Å; L357-F431 HydrophobicContact CD1-CB 4.44Å; L357-L464 HydrophobicContact CD1-CD2 3.88Å; L357-A467 HydrophobicContact CB-CB 3.74Å; L357-F471 HydrophobicContact CD2-CE2 4.3Å
358	Q	98	Very high	96.8	Very high	76 Å²	76	47.3 Å²	47.3	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-69.4	-42.3	-179.5	-76.2	177.1	-26.1	0	0	112.3	L354 N355 K361 K362 A467	L354-Q358 HydrophobicContact CD1-CG 4.01Å; L354-Q358 HydrophobicContact CG-CG 4.4Å; L354-Q358 WeakPolarHBondContact O-CB 3.42Å; L354-Q358 VanDerWaalsContact O-CG 3.31Å; L354-Q358 WeakPolarHBondContact O-CG 3.34Å; L354-Q358 PolarHBondContact O-N 3.43Å; N355-Q358 PolarHBondContact O-N 3.15Å; Q358-K361 WeakPolarHBondContact O-CB 3.39Å; Q358-K361 PolarHBondContact O-N 3.21Å; Q358-K362 WeakPolarHBondContact O-CB 3.5Å; Q358-K362 PolarHBondContact O-N 3.06Å; Q358-A467 HydrophobicContact CG-CB 4.4Å
359	D	98.1	Very high	96.3	Very high	55 Å²	55	47.6 Å²	47.6	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-70.9	-36.7	177.8	-78.1	2.1	0	0	0	111.2	Y299 N355 K362 L363 F420	Y299-D359 WeakPolarHBondContact OH-CB 3.47Å; Y299-D359 VanDerWaalsContact OH-CG 3.26Å; Y299-D359 PolarHBondContact OH-OD2 3.47Å; N355-D359 WeakPolarHBondContact O-CB 3.49Å; N355-D359 PolarHBondContact O-N 3.02Å; D359-K362 PolarHBondContact O-N 3.45Å; D359-L363 WeakPolarHBondContact O-CB 3.44Å; D359-L363 PolarHBondContact O-N 3.16Å; D359-F420 HydrophobicContact CB-CD1 4.48Å; D359-F420 HydrophobicContact CB-CE1 3.67Å; D359-F420 HydrophobicContact CB-CZ 4.17Å
360	A	97.7	Very high	96	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-43.3	170.2	0	0	0	0	0	112.1	L356 L363 L364 F420 P421 F471	L356-A360 WeakPolarHBondContact O-CB 3.35Å; L356-A360 PolarHBondContact O-N 3.34Å; L356-A360 VanDerWaalsContact O-N 3.15Å; A360-L363 PolarHBondContact O-N 3.29Å; A360-L364 WeakPolarHBondContact O-CB 3.49Å; A360-L364 WeakPolarHBondContact O-CG 3.46Å; A360-L364 PolarHBondContact O-N 3.28Å; A360-F420 HydrophobicContact CB-CB 3.84Å; A360-F420 HydrophobicContact CB-CD1 3.99Å; A360-F420 HydrophobicContact CB-CG 4.21Å; A360-P421 HydrophobicContact CB-CG 3.84Å; A360-F471 HydrophobicContact CB-CZ 4.01Å
361	K	97.5	Very high	95.8	Very high	53 Å²	53	53 Å²	53	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-56.6	-52.4	171.8	171.6	174.4	-173	-83.3	0	110.5	L357 Q358 L363 L364 E365 F470	L357-K361 WeakPolarHBondContact O-CB 3.3Å; L357-K361 PolarHBondContact O-N 3.43Å; Q358-K361 WeakPolarHBondContact O-CB 3.39Å; Q358-K361 PolarHBondContact O-N 3.21Å; K361-L363 PolarHBondContact O-N 3.19Å; K361-L364 CarbonylContact O-C 3.29Å; K361-L364 PolarHBondContact O-N 3.29Å; K361-E365 IonicContact NZ-OE1 2.79Å; K361-E365 PolarHBondContact NZ-OE1 3.37Å; K361-E365 IonicContact NZ-OE2 3.16Å; K361-E365 PolarHBondContact NZ-OE2 3.22Å; K361-E365 VanDerWaalsContact O-CB 3.24Å; K361-E365 WeakPolarHBondContact O-CB 3.42Å; K361-E365 PolarHBondContact O-N 2.78Å; K361-F470 HydrophobicContact CB-CD1 3.89Å; K361-F470 HydrophobicContact CB-CE1 4.14Å; K361-F470 HydrophobicContact CB-CG 4.25Å; K361-F470 HydrophobicContact CD-CB 3.89Å; K361-F470 HydrophobicContact CD-CD1 4.32Å; K361-F470 HydrophobicContact CD-CD2 3.98Å; K361-F470 HydrophobicContact CD-CG 3.8Å; K361-F470 HydrophobicContact CG-CB 4.27Å; K361-F470 HydrophobicContact CG-CD1 3.76Å; K361-F470 HydrophobicContact CG-CD2 3.84Å; K361-F470 HydrophobicContact CG-CE1 3.97Å; K361-F470 HydrophobicContact CG-CE2 4.04Å; K361-F470 HydrophobicContact CG-CG 3.68Å; K361-F470 HydrophobicContact CG-CZ 4.1Å
362	K	96.5	Very high	95.7	Very high	161 Å²	161	52.3 Å²	52.3	70%	0.7	27%	0.266	S	S	*	.	H	α-helix	trans	-57.7	-34.6	-178.5	-174.9	-179.6	178.2	-177.3	0	112.7	Q358 D359 L364	Q358-K362 WeakPolarHBondContact O-CB 3.5Å; Q358-K362 PolarHBondContact O-N 3.06Å; D359-K362 PolarHBondContact O-N 3.45Å; K362-L364 VanDerWaalsContact C-N 3.32Å
363	L	95.9	Very high	95.5	Very high	63 Å²	63	56.2 Å²	56.2	33%	0.33	29%	0.29	S	S	.	.	H	α-helix	trans	-71.8	-26.4	177	-176.3	63.9	0	0	0	113.3	D359 A360 K361 L379 F420	D359-L363 WeakPolarHBondContact O-CB 3.44Å; D359-L363 PolarHBondContact O-N 3.16Å; A360-L363 PolarHBondContact O-N 3.29Å; K361-L363 PolarHBondContact O-N 3.19Å; L363-L379 HydrophobicContact CD2-CD1 3.63Å; L363-L379 HydrophobicContact CD2-CD2 4.46Å; L363-L379 HydrophobicContact CG-CD1 3.89Å; L363-F420 HydrophobicContact CD2-CD2 3.82Å; L363-F420 HydrophobicContact CD2-CE2 4.28Å
364	L	96.9	Very high	95.3	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-110	-2.3	-172.9	-70	170	0	0	0	113.4	A360 K361 K362 L371 D372 R375 Q376 L379 L422 F470 F471	A360-L364 WeakPolarHBondContact O-CB 3.49Å; A360-L364 WeakPolarHBondContact O-CG 3.46Å; A360-L364 PolarHBondContact O-N 3.28Å; K361-L364 CarbonylContact O-C 3.29Å; K361-L364 PolarHBondContact O-N 3.29Å; K362-L364 VanDerWaalsContact C-N 3.32Å; L364-L371 HydrophobicContact CB-CD1 3.87Å; L364-L371 HydrophobicContact CD1-CD1 4.3Å; L364-D372 WeakPolarHBondContact O-CB 3.25Å; L364-D372 PolarHBondContact O-N 2.91Å; L364-R375 HydrophobicContact CD2-CG 4.44Å; L364-Q376 HydrophobicContact CD2-CB 3.9Å; L364-Q376 HydrophobicContact CD2-CG 4.33Å; L364-L379 HydrophobicContact CD2-CD1 3.81Å; L364-L422 HydrophobicContact CD1-CD2 4.26Å; L364-F470 HydrophobicContact CB-CE1 3.92Å; L364-F470 HydrophobicContact CB-CZ 4.05Å; L364-F471 HydrophobicContact CD1-CE1 3.69Å; L364-F471 HydrophobicContact CD1-CZ 4.38Å
365	E	95.9	Very high	95.1	Very high	73 Å²	73	65.5 Å²	65.5	34%	0.341	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-84.7	129.2	-176.6	-175.2	167.1	-149.5	0	0	110.5	K361 G369 E370 F470	K361-E365 IonicContact NZ-OE1 2.79Å; K361-E365 PolarHBondContact NZ-OE1 3.37Å; K361-E365 IonicContact NZ-OE2 3.16Å; K361-E365 PolarHBondContact NZ-OE2 3.22Å; K361-E365 VanDerWaalsContact O-CB 3.24Å; K361-E365 WeakPolarHBondContact O-CB 3.42Å; K361-E365 PolarHBondContact O-N 2.78Å; E365-G369 VanDerWaalsContact OE1-CA 3.22Å; E365-G369 WeakPolarHBondContact OE1-CA 3.29Å; E365-E370 WeakPolarHBondContact CA-O 3.47Å; E365-F470 HydrophobicContact CB-CE2 4.15Å; E365-F470 HydrophobicContact CB-CZ 4.19Å; E365-F470 HydrophobicContact CG-CE2 4.34Å
366	D	93.8	Very high	95	Very high	53 Å²	53	64.1 Å²	64.1	28%	0.283	33%	0.326	S	S	.	.			trans	-80.8	-178.9	175.5	75.2	6.8	0	0	0	112.3	I368 G369 E370 D372	D366-I368 PolarHBondContact O-N 3.47Å; D366-I368 VanDerWaalsContact O-N 3.11Å; D366-I368 WeakPolarHBondContact OD1-CA 3.38Å; D366-I368 WeakPolarHBondContact OD1-CG1 3.4Å; D366-I368 PolarHBondContact OD1-N 2.91Å; D366-I368 VanDerWaalsContact OD2-CG1 3.3Å; D366-I368 WeakPolarHBondContact OD2-CG1 3.26Å; D366-G369 PolarHBondContact O-N 2.8Å; D366-G369 VanDerWaalsContact O-N 3.15Å; D366-G369 PolarHBondContact OD1-N 3.4Å; D366-E370 PolarHBondContact N-O 2.99Å; D366-E370 PolarHBondContact OD1-N 3.24Å; D366-D372 HydrophobicContact CB-CB 4.23Å
367	N	89.9	Confident	94.8	Very high	178 Å²	178	68.1 Å²	68.1	95%	0.952	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.5	-178.9	-66	-38.9	0	0	0	114.5
368	I	87.3	Confident	94.7	Very high	143 Å²	143	72.5 Å²	72.5	73%	0.733	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	1.2	178.7	63.1	167.4	0	0	0	112.8	D366 E370	D366-I368 PolarHBondContact O-N 3.47Å; D366-I368 VanDerWaalsContact O-N 3.11Å; D366-I368 WeakPolarHBondContact OD1-CA 3.38Å; D366-I368 WeakPolarHBondContact OD1-CG1 3.4Å; D366-I368 PolarHBondContact OD1-N 2.91Å; D366-I368 VanDerWaalsContact OD2-CG1 3.3Å; D366-I368 WeakPolarHBondContact OD2-CG1 3.26Å; I368-E370 HydrophobicContact CD1-CG 4.49Å; I368-E370 HydrophobicContact CG1-CB 4.42Å
369	G	87.9	Confident	94.6	Very high	25 Å²	25	70.4 Å²	70.4	26%	0.258	36%	0.359	S	S	.	.	S	Bend	trans	89	13.4	176.7	0	0	0	0	0	115.1	E365 D366	E365-G369 VanDerWaalsContact OE1-CA 3.22Å; E365-G369 WeakPolarHBondContact OE1-CA 3.29Å; D366-G369 PolarHBondContact O-N 2.8Å; D366-G369 VanDerWaalsContact O-N 3.15Å; D366-G369 PolarHBondContact OD1-N 3.4Å
370	E	92.2	Very high	94.4	Very high	80 Å²	80	70.1 Å²	70.1	37%	0.374	36%	0.355	S	S	.	.	S	Bend	trans	-106.7	172.2	177.5	-68.7	-69.9	151.6	0	0	111.1	E365 D366 I368 D372 R478	E365-E370 WeakPolarHBondContact CA-O 3.47Å; D366-E370 PolarHBondContact N-O 2.99Å; D366-E370 PolarHBondContact OD1-N 3.24Å; I368-E370 HydrophobicContact CD1-CG 4.49Å; I368-E370 HydrophobicContact CG1-CB 4.42Å; E370-D372 PolarHBondContact O-N 3.45Å; E370-R478 IonicContact OE1-CZ 2.88Å; E370-R478 IonicContact OE1-NH1 2.76Å; E370-R478 IonicContact OE1-NH2 2.56Å; E370-R478 PolarHBondContact OE1-NH2 3.3Å; E370-R478 IonicContact OE2-CZ 3.91Å; E370-R478 IonicContact OE2-NH1 2.73Å; E370-R478 PolarHBondContact OE2-NH1 2.96Å; E370-R478 IonicContact OE2-NH2 3.76Å; E370-R478 PolarHBondContact OE2-NH2 3.44Å
371	L	94.3	Very high	94.2	Very high	34 Å²	34	76.3 Å²	76.3	18%	0.178	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-71.7	119.2	-175.9	-177.7	70.6	0	0	0	111.4	L364 T373 F470	L364-L371 HydrophobicContact CB-CD1 3.87Å; L364-L371 HydrophobicContact CD1-CD1 4.3Å; L371-T373 PolarHBondContact O-N 2.74Å; L371-F470 HydrophobicContact CB-CE2 4.38Å; L371-F470 HydrophobicContact CB-CZ 4.1Å; L371-F470 HydrophobicContact CD1-CD1 4.44Å; L371-F470 HydrophobicContact CD1-CE1 3.5Å; L371-F470 HydrophobicContact CD1-CZ 3.64Å
372	D	95.7	Very high	94	Very high	54 Å²	54	75.4 Å²	75.4	29%	0.289	38%	0.381	S	S	.	.			trans	-76.1	101.1	171	-174.2	-21.9	0	0	0	110.2	L364 D366 E370 D374 R375 Q376	L364-D372 WeakPolarHBondContact O-CB 3.25Å; L364-D372 PolarHBondContact O-N 2.91Å; D366-D372 HydrophobicContact CB-CB 4.23Å; E370-D372 PolarHBondContact O-N 3.45Å; D372-D374 VanDerWaalsContact C-N 3.34Å; D372-D374 PolarHBondContact O-N 3.16Å; D372-D374 PolarHBondContact OD1-N 3.42Å; D372-R375 HydrophobicContact CB-CB 3.91Å; D372-R375 VanDerWaalsContact CG-CB 3.44Å; D372-R375 PolarHBondContact OD1-N 3.23Å; D372-Q376 VanDerWaalsContact O-CB 3.31Å; D372-Q376 WeakPolarHBondContact O-CB 3.49Å; D372-Q376 PolarHBondContact O-N 3.49Å
373	T	94	Very high	93.7	Very high	82 Å²	82	69.4 Å²	69.4	50%	0.503	35%	0.354	S	S	.	.	H	α-helix	trans	-67.2	-32.8	-179.6	53.1	0	0	0	0	112.9	L371 Q376 D377	L371-T373 PolarHBondContact O-N 2.74Å; T373-Q376 PolarHBondContact O-N 2.89Å; T373-D377 WeakPolarHBondContact O-CB 3.16Å; T373-D377 PolarHBondContact O-N 3.39Å
374	D	94.9	Very high	93.3	Very high	124 Å²	124	72.7 Å²	72.7	66%	0.663	36%	0.362	S	S	*	.	H	α-helix	trans	-70.4	-44.2	-179.1	-70.2	-20.4	0	0	0	109.9	D372 D377 E378	D372-D374 VanDerWaalsContact C-N 3.34Å; D372-D374 PolarHBondContact O-N 3.16Å; D372-D374 PolarHBondContact OD1-N 3.42Å; D374-D377 PolarHBondContact O-N 3.44Å; D374-E378 PolarHBondContact O-N 3.29Å
375	R	95.4	Very high	92.7	Very high	78 Å²	78	78.6 Å²	78.6	29%	0.294	39%	0.389	S	S	.	.	H	α-helix	trans	-64.8	-40.7	174.4	-175.8	56.9	178.1	164.7	2.5	112	L364 D372 D377 E378 L379	L364-R375 HydrophobicContact CD2-CG 4.44Å; D372-R375 HydrophobicContact CB-CB 3.91Å; D372-R375 VanDerWaalsContact CG-CB 3.44Å; D372-R375 PolarHBondContact OD1-N 3.23Å; R375-D377 PolarHBondContact O-N 3.27Å; R375-E378 IonicContact CZ-OE2 2.73Å; R375-E378 IonicContact NH1-OE1 3.48Å; R375-E378 PolarHBondContact NH1-OE1 3.24Å; R375-E378 VanDerWaalsContact NH1-OE1 3.08Å; R375-E378 IonicContact NH1-OE2 3.42Å; R375-E378 PolarHBondContact NH1-OE2 2.89Å; R375-E378 WeakPolarHBondContact O-CB 3.39Å; R375-E378 PolarHBondContact O-N 3.03Å; R375-L379 HydrophobicContact CG-CD1 4.25Å; R375-L379 WeakPolarHBondContact O-CG 3.4Å; R375-L379 PolarHBondContact O-N 3.36Å
376	Q	96	Very high	92.1	Very high	14 Å²	14	80.7 Å²	80.7	7%	0.065	40%	0.399	C	S	.	.	H	α-helix	trans	-57.6	-47.8	174.8	-171.6	-168	38.7	0	0	111.4	L364 D372 T373 L379 K380 L422	L364-Q376 HydrophobicContact CD2-CB 3.9Å; L364-Q376 HydrophobicContact CD2-CG 4.33Å; D372-Q376 VanDerWaalsContact O-CB 3.31Å; D372-Q376 WeakPolarHBondContact O-CB 3.49Å; D372-Q376 PolarHBondContact O-N 3.49Å; T373-Q376 PolarHBondContact O-N 2.89Å; Q376-L379 PolarHBondContact O-N 2.88Å; Q376-K380 HydrophobicContact CG-CD 4.33Å; Q376-K380 WeakPolarHBondContact O-CB 3.36Å; Q376-K380 WeakPolarHBondContact O-CG 3.31Å; Q376-K380 PolarHBondContact O-N 2.98Å; Q376-L422 WeakPolarHBondContact CG-O 3.18Å; Q376-L422 PolarHBondContact NE2-O 3.21Å
377	D	95	Very high	91.2	Very high	83 Å²	83	83.4 Å²	83.4	44%	0.444	41%	0.41	S	S	.	.	H	α-helix	trans	-68.6	-33.1	-179.9	-82.6	-15.6	0	0	0	113	T373 D374 R375 R381	T373-D377 WeakPolarHBondContact O-CB 3.16Å; T373-D377 PolarHBondContact O-N 3.39Å; D374-D377 PolarHBondContact O-N 3.44Å; R375-D377 PolarHBondContact O-N 3.27Å; D377-R381 WeakPolarHBondContact O-CB 3.42Å; D377-R381 WeakPolarHBondContact O-CG 3.06Å; D377-R381 PolarHBondContact O-N 3.04Å; D377-R381 VanDerWaalsContact O-N 3.1Å; D377-R381 PolarHBondContact O-NE 2.98Å
378	E	96.1	Very high	90.3	Very high	92 Å²	92	81.1 Å²	81.1	43%	0.43	39%	0.394	S	S	.	.	H	α-helix	trans	-61.2	-51.4	171.1	-169.4	-166.8	166.4	0	0	111.5	D374 R375 K380 R381 A382	D374-E378 PolarHBondContact O-N 3.29Å; R375-E378 IonicContact CZ-OE2 2.73Å; R375-E378 IonicContact NH1-OE1 3.48Å; R375-E378 PolarHBondContact NH1-OE1 3.24Å; R375-E378 VanDerWaalsContact NH1-OE1 3.08Å; R375-E378 IonicContact NH1-OE2 3.42Å; R375-E378 PolarHBondContact NH1-OE2 2.89Å; R375-E378 WeakPolarHBondContact O-CB 3.39Å; R375-E378 PolarHBondContact O-N 3.03Å; E378-K380 PolarHBondContact O-N 3.31Å; E378-R381 WeakPolarHBondContact O-CB 3.45Å; E378-R381 PolarHBondContact O-N 3.25Å; E378-R381 VanDerWaalsContact O-N 3.14Å; E378-A382 PolarHBondContact O-N 2.71Å
379	L	94.8	Very high	89.4	Confident	33 Å²	33	81.2 Å²	81.2	17%	0.173	39%	0.391	C	S	.	.	H	α-helix	trans	-64.8	-39.7	-179.6	-69.9	171.8	0	0	0	112.2	L363 L364 R375 Q376 R381 A382 R383 L422	L363-L379 HydrophobicContact CD2-CD1 3.63Å; L363-L379 HydrophobicContact CD2-CD2 4.46Å; L363-L379 HydrophobicContact CG-CD1 3.89Å; L364-L379 HydrophobicContact CD2-CD1 3.81Å; R375-L379 HydrophobicContact CG-CD1 4.25Å; R375-L379 WeakPolarHBondContact O-CG 3.4Å; R375-L379 PolarHBondContact O-N 3.36Å; Q376-L379 PolarHBondContact O-N 2.88Å; L379-R381 VanDerWaalsContact C-N 3.28Å; L379-R381 PolarHBondContact O-N 3.38Å; L379-A382 PolarHBondContact O-N 2.83Å; L379-R383 PolarHBondContact O-N 3.33Å; L379-L422 HydrophobicContact CB-CD1 3.94Å; L379-L422 HydrophobicContact CB-CD2 3.92Å; L379-L422 HydrophobicContact CD1-CD2 3.98Å
380	K	94.6	Very high	88.1	Confident	48 Å²	48	86.9 Å²	86.9	21%	0.209	41%	0.411	C	S	.	.	H	α-helix	trans	-61.8	-36.5	174.1	-76.4	177.4	179.8	169.5	0	111.9	Q376 E378 R384 L422	Q376-K380 HydrophobicContact CG-CD 4.33Å; Q376-K380 WeakPolarHBondContact O-CB 3.36Å; Q376-K380 WeakPolarHBondContact O-CG 3.31Å; Q376-K380 PolarHBondContact O-N 2.98Å; E378-K380 PolarHBondContact O-N 3.31Å; K380-R384 WeakPolarHBondContact O-CG 3.49Å; K380-R384 VanDerWaalsContact O-CZ 3.3Å; K380-R384 PolarHBondContact O-N 3.15Å; K380-R384 PolarHBondContact O-NH1 2.86Å; K380-L422 HydrophobicContact CB-CD1 4.4Å; K380-L422 HydrophobicContact CG-CB 4.11Å; K380-L422 HydrophobicContact CG-CD1 3.69Å
381	R	93.6	Very high	86.2	Confident	131 Å²	131	91.5 Å²	91.5	49%	0.494	43%	0.433	S	S	.	.	H	α-helix	trans	-69.9	-44.8	175.2	-78.9	178.2	-73.1	129.5	-8.5	111.7	D377 E378 L379 R384 Q385	D377-R381 WeakPolarHBondContact O-CB 3.42Å; D377-R381 WeakPolarHBondContact O-CG 3.06Å; D377-R381 PolarHBondContact O-N 3.04Å; D377-R381 VanDerWaalsContact O-N 3.1Å; D377-R381 PolarHBondContact O-NE 2.98Å; E378-R381 WeakPolarHBondContact O-CB 3.45Å; E378-R381 PolarHBondContact O-N 3.25Å; E378-R381 VanDerWaalsContact O-N 3.14Å; L379-R381 VanDerWaalsContact C-N 3.28Å; L379-R381 PolarHBondContact O-N 3.38Å; R381-R384 PolarHBondContact O-N 3.16Å; R381-Q385 WeakPolarHBondContact O-CG 3.38Å; R381-Q385 PolarHBondContact O-N 3.03Å
382	A	92.4	Very high	84	Confident	34 Å²	34	98.5 Å²	98.5	28%	0.281	46%	0.462	S	S	.	.	H	α-helix	trans	-59.5	-47.2	178.2	0	0	0	0	0	111.7	E378 L379 R384 Q385 E386	E378-A382 PolarHBondContact O-N 2.71Å; L379-A382 PolarHBondContact O-N 2.83Å; A382-R384 VanDerWaalsContact C-N 3.33Å; A382-R384 PolarHBondContact O-N 2.86Å; A382-Q385 WeakPolarHBondContact O-CB 3.41Å; A382-Q385 PolarHBondContact O-N 3.41Å; A382-E386 PolarHBondContact O-N 3.02Å
383	R	91	Very high	81.5	Confident	35 Å²	35	98.3 Å²	98.3	13%	0.132	47%	0.472	C	S	.	.	H	α-helix	trans	-57.5	-43.2	178.3	-175.8	178.8	-62.6	168.1	-0.1	112.8	L379 Q385 E386 E387 F420 L422 E426	L379-R383 PolarHBondContact O-N 3.33Å; R383-Q385 VanDerWaalsContact C-N 3.28Å; R383-Q385 PolarHBondContact O-N 2.82Å; R383-E386 PolarHBondContact O-N 3.5Å; R383-E387 HydrophobicContact CG-CG 4.48Å; R383-E387 WeakPolarHBondContact CG-OE1 3.4Å; R383-E387 WeakPolarHBondContact O-CG 3.43Å; R383-E387 PolarHBondContact O-N 2.92Å; R383-F420 PolarHBondContact NH2-O 3.14Å; R383-L422 VanDerWaalsContact CZ-CD1 3.44Å; R383-E426 IonicContact NH1-OE1 2.9Å; R383-E426 PolarHBondContact NH1-OE1 3.34Å; R383-E426 IonicContact NH1-OE2 3.71Å; R383-E426 PolarHBondContact NH1-OE2 2.93Å
384	R	87.3	Confident	78.9	Confident	131 Å²	131	106.4 Å²	106.4	49%	0.494	49%	0.494	S	S	.	.	H	α-helix	trans	-62	-36.1	176.9	-73.4	-172.3	-65.6	-93.7	5.1	112.5	K380 R381 A382 E388	K380-R384 WeakPolarHBondContact O-CG 3.49Å; K380-R384 VanDerWaalsContact O-CZ 3.3Å; K380-R384 PolarHBondContact O-N 3.15Å; K380-R384 PolarHBondContact O-NH1 2.86Å; R381-R384 PolarHBondContact O-N 3.16Å; A382-R384 VanDerWaalsContact C-N 3.33Å; A382-R384 PolarHBondContact O-N 2.86Å; R384-E388 WeakPolarHBondContact O-CG 3.48Å; R384-E388 PolarHBondContact O-N 3.24Å
385	Q	84.9	Confident	76.4	Confident	125 Å²	125	110.2 Å²	110.2	58%	0.584	50%	0.504	S	S	*	.	H	α-helix	trans	-70.5	-41.8	177	-68.3	175.8	-18.5	0	0	111.5	R381 A382 R383 E388 E389	R381-Q385 WeakPolarHBondContact O-CG 3.38Å; R381-Q385 PolarHBondContact O-N 3.03Å; A382-Q385 WeakPolarHBondContact O-CB 3.41Å; A382-Q385 PolarHBondContact O-N 3.41Å; R383-Q385 VanDerWaalsContact C-N 3.28Å; R383-Q385 PolarHBondContact O-N 2.82Å; Q385-E388 PolarHBondContact O-N 2.73Å; Q385-E389 WeakPolarHBondContact O-CG 3.37Å; Q385-E389 PolarHBondContact O-N 2.93Å; Q385-E389 VanDerWaalsContact O-N 3.11Å
386	E	83	Confident	73.8	Confident	117 Å²	117	112.5 Å²	112.5	55%	0.547	53%	0.532	S	S	.	.	H	α-helix	trans	-63.3	-42.4	176.3	-71.1	173.5	173.7	0	0	111.8	A382 R383 E388 E389 E390	A382-E386 PolarHBondContact O-N 3.02Å; R383-E386 PolarHBondContact O-N 3.5Å; E386-E388 VanDerWaalsContact C-N 3.3Å; E386-E388 PolarHBondContact O-N 3.08Å; E386-E389 CarbonylContact O-C 3.47Å; E386-E389 PolarHBondContact O-N 3.32Å; E386-E390 PolarHBondContact O-N 3.35Å
387	E	75.9	Confident	71.7	Confident	111 Å²	111	114.2 Å²	114.2	52%	0.519	55%	0.549	S	S	.	.	H	α-helix	trans	-59.5	-39.4	175.3	-73.9	170.8	-175.6	0	0	112	R383 E389 E391	R383-E387 HydrophobicContact CG-CG 4.48Å; R383-E387 WeakPolarHBondContact CG-OE1 3.4Å; R383-E387 WeakPolarHBondContact O-CG 3.43Å; R383-E387 PolarHBondContact O-N 2.92Å; E387-E389 VanDerWaalsContact C-N 3.3Å; E387-E389 PolarHBondContact O-N 2.96Å; E387-E391 PolarHBondContact O-N 3.04Å
388	E	70.4	Confident	69.7	Low	129 Å²	129	117.5 Å²	117.5	60%	0.603	56%	0.563	S	S	*	*	H	α-helix	trans	-69.7	-23.6	175	-72.1	175.9	-171	0	0	113.5	R384 Q385 E386	R384-E388 WeakPolarHBondContact O-CG 3.48Å; R384-E388 PolarHBondContact O-N 3.24Å; Q385-E388 PolarHBondContact O-N 2.73Å; E386-E388 VanDerWaalsContact C-N 3.3Å; E386-E388 PolarHBondContact O-N 3.08Å
389	E	67.1	Low	68.3	Low	145 Å²	145	116.7 Å²	116.7	68%	0.678	56%	0.561	S	S	*	*	H	α-helix	trans	-89	-39.3	176.9	-73.1	-168.8	172	0	0	112.9	Q385 E386 E387 E391 K392	Q385-E389 WeakPolarHBondContact O-CG 3.37Å; Q385-E389 PolarHBondContact O-N 2.93Å; Q385-E389 VanDerWaalsContact O-N 3.11Å; E386-E389 CarbonylContact O-C 3.47Å; E386-E389 PolarHBondContact O-N 3.32Å; E387-E389 VanDerWaalsContact C-N 3.3Å; E387-E389 PolarHBondContact O-N 2.96Å; E389-E391 VanDerWaalsContact C-N 3.29Å; E389-E391 PolarHBondContact O-N 2.95Å; E389-K392 WeakPolarHBondContact O-CB 3.27Å; E389-K392 PolarHBondContact O-N 3.29Å
390	E	60.8	Low	66.8	Low	145 Å²	145	115.2 Å²	115.2	68%	0.678	55%	0.553	S	S	*	*	H	α-helix	trans	-66.8	-28.2	178.6	-77.6	-164.4	156.9	0	0	112.9	E386 K392 G393	E386-E390 PolarHBondContact O-N 3.35Å; E390-K392 PolarHBondContact O-N 3.37Å; E390-G393 PolarHBondContact O-N 3.26Å
391	E	54	Low	65	Low	177 Å²	177	114 Å²	114	83%	0.827	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-16.1	170.2	-155.6	175	-171.4	0	0	112.1	E387 E389	E387-E391 PolarHBondContact O-N 3.04Å; E389-E391 VanDerWaalsContact C-N 3.29Å; E389-E391 PolarHBondContact O-N 2.95Å
392	K	47.3	Very low	63.6	Low	181 Å²	181	110.2 Å²	110.2	79%	0.787	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-0.5	179	-62.9	171.5	-175.3	149	0	115	E389 E390	E389-K392 WeakPolarHBondContact O-CB 3.27Å; E389-K392 PolarHBondContact O-N 3.29Å; E390-K392 PolarHBondContact O-N 3.37Å
393	G	43.8	Very low	62.3	Low	50 Å²	50	117.6 Å²	117.6	52%	0.515	58%	0.577	S	S	.	*			trans	-171.9	98.3	-179.1	0	0	0	0	0	115.6	E390 K395	E390-G393 PolarHBondContact O-N 3.26Å; G393-K395 PolarHBondContact O-N 3.32Å
394	R	39.6	Very low	61.5	Low	252 Å²	252	122.9 Å²	122.9	95%	0.951	61%	0.608	S	S	*	*			trans	-74.9	118.7	169.4	-82.8	-179.6	173.4	174.1	-3	111.1
395	K	40.7	Very low	61.3	Low	204 Å²	204	117.4 Å²	117.4	89%	0.887	59%	0.589	S	S	*	*			trans	-98.2	141.5	160.7	-76.5	-179.3	-179.7	172.8	0	109.8	G393 A397	G393-K395 PolarHBondContact O-N 3.32Å; K395-A397 PolarHBondContact O-N 2.98Å
396	S	42	Very low	61.3	Low	125 Å²	125	116.4 Å²	116.4	87%	0.874	58%	0.583	S	S	*	*			trans	-71.6	114.9	-177.1	-168.8	0	0	0	0	110.5
397	A	51.8	Low	61.4	Low	50 Å²	50	116.8 Å²	116.8	41%	0.413	59%	0.589	S	S	.	*			trans	-69	150.3	160	0	0	0	0	0	109.3	K395 L399	K395-A397 PolarHBondContact O-N 2.98Å; A397-L399 HydrophobicContact CB-CD2 4.15Å; A397-L399 HydrophobicContact CB-CG 4.3Å; A397-L399 PolarHBondContact O-N 3.05Å
398	M	52.2	Low	62.1	Low	153 Å²	153	114.5 Å²	114.5	75%	0.754	59%	0.585	S	S	*	*			trans	-71.1	108.7	167.8	-84.8	-178.9	163.5	0	0	108
399	L	66.8	Low	63.1	Low	74 Å²	74	108.5 Å²	108.5	39%	0.387	56%	0.557	S	S	.	*			trans	-112.2	128.3	-178	-60.1	171.6	0	0	0	109.3	H304 A397 F406	H304-L399 WeakPolarHBondContact NE2-CA 3.36Å; A397-L399 HydrophobicContact CB-CD2 4.15Å; A397-L399 HydrophobicContact CB-CG 4.3Å; A397-L399 PolarHBondContact O-N 3.05Å; L399-F406 HydrophobicContact CD1-CE2 3.95Å
400	F	63.5	Low	64.2	Low	2 Å²	2	102.9 Å²	102.9	1%	0.009	54%	0.536	C	S	.	.			trans	-61.8	134.8	153.7	-61.1	-65.7	0	0	0	110.1	H265 L268 Q269 L272 W282 L289 H304 C305 A308	H265-F400 HydrophobicContact CB-CZ 4.2Å; H265-F400 AromaticContact CE1-CE1 3.54Å; H265-F400 AromaticContact CE1-CE2 3.69Å; H265-F400 AromaticContact CE1-CZ 3.37Å; H265-F400 WeakPolarHBondContact CE1-CZ 3.38Å; H265-F400 AromaticContact CG-CE1 3.9Å; H265-F400 AromaticContact CG-CZ 3.64Å; H265-F400 AromaticContact ND1-CE1 3.51Å; H265-F400 AromaticContact ND1-CE2 3.48Å; H265-F400 WeakPolarHBondContact ND1-CE2 3.45Å; H265-F400 AromaticContact ND1-CZ 2.98Å; H265-F400 WeakPolarHBondContact ND1-CZ 3.28Å; H265-F400 AromaticContact NE2-CE1 3.98Å; H265-F400 WeakPolarHBondContact O-CE1 3.49Å; L268-F400 HydrophobicContact CB-CE1 3.8Å; L268-F400 HydrophobicContact CB-CZ 4.28Å; L268-F400 HydrophobicContact CD1-CZ 4.28Å; Q269-F400 HydrophobicContact CB-CD1 4.27Å; Q269-F400 HydrophobicContact CB-CE1 4.28Å; L272-F400 HydrophobicContact CD1-CB 4.5Å; W282-F400 HydrophobicContact CZ2-CD1 4.41Å; L289-F400 HydrophobicContact CD2-CZ 4.08Å; H304-F400 AromaticContact CD2-CD2 3.62Å; H304-F400 PolarHBondContact CD2-N 3.11Å; H304-F400 PolarHBondContact CE1-O 3.38Å; H304-F400 VanDerWaalsContact CE1-O 3.24Å; H304-F400 WeakPolarHBondContact NE2-CA 3.42Å; H304-F400 WeakPolarHBondContact NE2-CB 3.35Å; H304-F400 AromaticContact NE2-CD2 3.89Å; H304-F400 PolarHBondContact NE2-N 3.46Å; H304-F400 PolarHBondContact NE2-O 3.3Å; H304-F400 VanDerWaalsContact NE2-O 3.09Å; C305-F400 VanDerWaalsContact SG-CE2 3.6Å; A308-F400 HydrophobicContact CB-CB 4.25Å
401	G	57.1	Low	65.7	Low	24 Å²	24	99 Å²	99	25%	0.247	52%	0.524	C	S	.	.			trans	158.6	141.4	173.7	0	0	0	0	0	112.5
402	S	64.1	Low	67.6	Low	50 Å²	50	91.2 Å²	91.2	35%	0.35	49%	0.489	S	S	.	.			trans	-91.6	166.4	154.3	61.1	0	0	0	0	109.1	D404 T405 F406	S402-D404 PolarHBondContact O-N 3.28Å; S402-T405 PolarHBondContact N-OG1 3.08Å; S402-T405 PolarHBondContact O-N 2.81Å; S402-T405 VanDerWaalsContact O-N 3.17Å; S402-T405 PolarHBondContact O-OG1 3.28Å; S402-T405 PolarHBondContact OG-N 2.98Å; S402-T405 PolarHBondContact OG-OG1 2.88Å; S402-F406 PolarHBondContact O-N 3.4Å
403	E	65.4	Low	69.7	Low	190 Å²	190	83.9 Å²	83.9	89%	0.888	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-30.2	171.7	-74.4	-176	160.8	0	0	112
404	D	74.4	Confident	72.1	Confident	145 Å²	145	89.2 Å²	89.2	78%	0.775	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-23.3	-176.4	-54.9	-41.6	0	0	0	115	S402	S402-D404 PolarHBondContact O-N 3.28Å
405	T	82.5	Confident	74.7	Confident	17 Å²	17	83.5 Å²	83.5	10%	0.104	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-16.5	-173.7	46	0	0	0	0	113.3	V311 I312 S402 D407 S408 I409	V311-T405 HydrophobicContact CG1-CG2 4.43Å; I312-T405 HydrophobicContact CD1-CG2 4.04Å; S402-T405 PolarHBondContact N-OG1 3.08Å; S402-T405 PolarHBondContact O-N 2.81Å; S402-T405 VanDerWaalsContact O-N 3.17Å; S402-T405 PolarHBondContact O-OG1 3.28Å; S402-T405 PolarHBondContact OG-N 2.98Å; S402-T405 PolarHBondContact OG-OG1 2.88Å; T405-D407 PolarHBondContact O-N 3.18Å; T405-S408 PolarHBondContact O-N 2.79Å; T405-I409 VanDerWaalsContact O-CG1 3.31Å; T405-I409 WeakPolarHBondContact O-CG1 3.4Å; T405-I409 PolarHBondContact O-N 3.06Å
406	F	84.4	Confident	77.3	Confident	103 Å²	103	74.1 Å²	74.1	45%	0.452	41%	0.411	S	S	.	.	H	α-helix	trans	-54.1	-52.6	-174.1	-176.7	-93.3	0	0	0	113.6	L399 S402 S408 I409 A410	L399-F406 HydrophobicContact CD1-CE2 3.95Å; S402-F406 PolarHBondContact O-N 3.4Å; F406-S408 VanDerWaalsContact C-N 3.3Å; F406-S408 PolarHBondContact O-N 3.48Å; F406-I409 PolarHBondContact O-N 3.33Å; F406-I409 VanDerWaalsContact O-N 3.16Å; F406-A410 PolarHBondContact O-N 2.81Å
407	D	86.6	Confident	79.7	Confident	125 Å²	125	70.6 Å²	70.6	67%	0.668	38%	0.381	S	S	*	.	H	α-helix	trans	-63.9	-36.4	-177.3	-70	-19.3	0	0	0	112.3	T405 A410 S411	T405-D407 PolarHBondContact O-N 3.18Å; D407-A410 PolarHBondContact O-N 3.45Å; D407-S411 WeakPolarHBondContact O-CB 3.45Å; D407-S411 PolarHBondContact O-N 2.62Å
408	S	90.3	Very high	81.6	Confident	63 Å²	63	69.5 Å²	69.5	44%	0.441	37%	0.37	S	S	.	.	H	α-helix	trans	-68	-39.2	176.9	-65.6	0	0	0	0	111.4	T405 F406 S411 V412	T405-S408 PolarHBondContact O-N 2.79Å; F406-S408 VanDerWaalsContact C-N 3.3Å; F406-S408 PolarHBondContact O-N 3.48Å; S408-S411 PolarHBondContact O-N 3.27Å; S408-V412 WeakPolarHBondContact O-CG2 3.4Å; S408-V412 PolarHBondContact O-N 2.9Å
409	I	90.6	Very high	83.6	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-65.9	-47.5	176.6	-66.1	171	0	0	0	109.8	A307 A308 V311 T405 F406 S411 V412 E413	A307-I409 HydrophobicContact CB-CG2 3.84Å; A308-I409 HydrophobicContact CB-CD1 3.92Å; A308-I409 HydrophobicContact CB-CG1 4.39Å; V311-I409 HydrophobicContact CB-CG1 4.14Å; V311-I409 HydrophobicContact CG1-CG1 4.39Å; V311-I409 HydrophobicContact CG2-CG1 3.91Å; T405-I409 VanDerWaalsContact O-CG1 3.31Å; T405-I409 WeakPolarHBondContact O-CG1 3.4Å; T405-I409 PolarHBondContact O-N 3.06Å; F406-I409 PolarHBondContact O-N 3.33Å; F406-I409 VanDerWaalsContact O-N 3.16Å; I409-S411 VanDerWaalsContact C-N 3.29Å; I409-S411 PolarHBondContact O-N 3.07Å; I409-V412 PolarHBondContact O-N 3.29Å; I409-V412 VanDerWaalsContact O-N 3.11Å; I409-E413 WeakPolarHBondContact O-CB 3.12Å; I409-E413 PolarHBondContact O-N 3.15Å
410	A	89.6	Confident	85	Confident	27 Å²	27	65.9 Å²	65.9	22%	0.223	35%	0.351	C	S	.	.	H	α-helix	trans	-57.2	-41.5	176.9	0	0	0	0	0	112.1	F406 D407 V412 E413 E414	F406-A410 PolarHBondContact O-N 2.81Å; D407-A410 PolarHBondContact O-N 3.45Å; A410-V412 VanDerWaalsContact C-N 3.34Å; A410-V412 PolarHBondContact O-N 3.28Å; A410-E413 VanDerWaalsContact O-CB 3.29Å; A410-E413 WeakPolarHBondContact O-CB 3.21Å; A410-E413 PolarHBondContact O-N 3.01Å; A410-E414 WeakPolarHBondContact O-CG 3.35Å; A410-E414 PolarHBondContact O-N 3.3Å
411	S	92.8	Very high	86.6	Confident	62 Å²	62	65.8 Å²	65.8	43%	0.434	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-34.6	176.9	-177.4	0	0	0	0	113.6	D407 S408 I409	D407-S411 WeakPolarHBondContact O-CB 3.45Å; D407-S411 PolarHBondContact O-N 2.62Å; S408-S411 PolarHBondContact O-N 3.27Å; I409-S411 VanDerWaalsContact C-N 3.29Å; I409-S411 PolarHBondContact O-N 3.07Å
412	V	94	Very high	88.5	Confident	14 Å²	14	64.8 Å²	64.8	9%	0.085	34%	0.339	C	S	.	.	H	α-helix	trans	-72	-41.3	173.8	176.5	0	0	0	0	110.4	A307 T310 V311 W349 S408 I409 A410 E414 K415	A307-V412 HydrophobicContact CB-CB 4Å; A307-V412 HydrophobicContact CB-CG1 3.88Å; T310-V412 HydrophobicContact CG2-CG1 4.5Å; T310-V412 HydrophobicContact CG2-CG2 4.49Å; V311-V412 HydrophobicContact CG2-CG2 4.04Å; W349-V412 HydrophobicContact CH2-CG1 4.35Å; W349-V412 HydrophobicContact CZ2-CG1 3.82Å; S408-V412 WeakPolarHBondContact O-CG2 3.4Å; S408-V412 PolarHBondContact O-N 2.9Å; I409-V412 PolarHBondContact O-N 3.29Å; I409-V412 VanDerWaalsContact O-N 3.11Å; A410-V412 VanDerWaalsContact C-N 3.34Å; A410-V412 PolarHBondContact O-N 3.28Å; V412-E414 VanDerWaalsContact C-N 3.34Å; V412-E414 PolarHBondContact O-N 3.08Å; V412-K415 WeakPolarHBondContact O-CB 3.39Å; V412-K415 PolarHBondContact O-N 3.25Å
413	E	92.6	Very high	90	Very high	28 Å²	28	64.5 Å²	64.5	13%	0.131	33%	0.334	C	S	.	.	H	α-helix	trans	-57.4	-42.4	176	-88.8	-167.6	-171.2	0	0	113.3	R303 H304 A307 I409 A410 K415 V416	R303-E413 HydrophobicContact CG-CG 4.37Å; R303-E413 IonicContact CZ-OE2 2.92Å; R303-E413 PolarHBondContact NH1-O 3.42Å; R303-E413 IonicContact NH1-OE2 2.91Å; R303-E413 VanDerWaalsContact NH2-CD 3.32Å; R303-E413 IonicContact NH2-OE1 3.93Å; R303-E413 IonicContact NH2-OE2 3.95Å; R303-E413 PolarHBondContact NH2-OE2 3.21Å; H304-E413 WeakPolarHBondContact CA-OE1 3.47Å; H304-E413 WeakPolarHBondContact CB-OE1 3.42Å; H304-E413 IonicContact CE1-OE1 3.28Å; H304-E413 IonicContact CG-OE1 2.69Å; H304-E413 IonicContact ND1-OE1 3.48Å; H304-E413 PolarHBondContact ND1-OE1 2.83Å; A307-E413 HydrophobicContact CB-CG 3.65Å; I409-E413 WeakPolarHBondContact O-CB 3.12Å; I409-E413 PolarHBondContact O-N 3.15Å; A410-E413 VanDerWaalsContact O-CB 3.29Å; A410-E413 WeakPolarHBondContact O-CB 3.21Å; A410-E413 PolarHBondContact O-N 3.01Å; E413-K415 PolarHBondContact O-N 3.29Å; E413-K415 VanDerWaalsContact O-N 3.09Å; E413-V416 PolarHBondContact O-N 3.48Å
414	E	92.9	Very high	91.6	Very high	162 Å²	162	57.2 Å²	57.2	76%	0.757	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.4	179	-77	172.6	-177.4	0	0	113.7	A410 V412 V416	A410-E414 WeakPolarHBondContact O-CG 3.35Å; A410-E414 PolarHBondContact O-N 3.3Å; V412-E414 VanDerWaalsContact C-N 3.34Å; V412-E414 PolarHBondContact O-N 3.08Å; E414-V416 VanDerWaalsContact C-N 3.26Å; E414-V416 PolarHBondContact O-N 3.45Å
415	K	94.5	Very high	92.7	Very high	132 Å²	132	55.5 Å²	55.5	57%	0.574	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.3	-179.7	-61.4	176.9	-176.1	173.7	0	112.6	V412 E413 V433	V412-K415 WeakPolarHBondContact O-CB 3.39Å; V412-K415 PolarHBondContact O-N 3.25Å; E413-K415 PolarHBondContact O-N 3.29Å; E413-K415 VanDerWaalsContact O-N 3.09Å; K415-V433 WeakPolarHBondContact O-CG2 3.2Å
416	V	94.9	Very high	93.4	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.042	30%	0.301	C	S	.	.	S	Bend	trans	-144.2	135.1	-177	69	0	0	0	0	111.5	R303 W349 Y352 E413 E414 V430 V433	R303-V416 WeakPolarHBondContact CD-O 3.26Å; R303-V416 HydrophobicContact CG-CG1 4.09Å; R303-V416 PolarHBondContact NH1-O 3.03Å; W349-V416 HydrophobicContact CE3-CG1 4.45Å; W349-V416 HydrophobicContact CH2-CG1 4.18Å; W349-V416 HydrophobicContact CZ3-CG1 3.62Å; Y352-V416 HydrophobicContact CE1-CG1 4Å; Y352-V416 HydrophobicContact CE1-CG2 3.92Å; E413-V416 PolarHBondContact O-N 3.48Å; E414-V416 VanDerWaalsContact C-N 3.26Å; E414-V416 PolarHBondContact O-N 3.45Å; V416-V430 HydrophobicContact CG2-CG1 4.35Å; V416-V430 HydrophobicContact CG2-CG2 4.3Å; V416-V433 HydrophobicContact CB-CB 4.45Å; V416-V433 HydrophobicContact CB-CG1 4.16Å; V416-V433 HydrophobicContact CB-CG2 4.15Å; V416-V433 HydrophobicContact CG2-CB 4.42Å; V416-V433 HydrophobicContact CG2-CG1 4.4Å; V416-V433 HydrophobicContact CG2-CG2 4.43Å
417	M	92.9	Very high	94.1	Very high	51 Å²	51	52.3 Å²	52.3	25%	0.251	28%	0.28	S	S	.	.			trans	-70.8	158.5	178.6	66.4	-162.9	-52.4	0	0	112.4	Y352 L356 L419 P421 E426 V430	Y352-M417 PolarHBondContact OH-O 2.92Å; L356-M417 HydrophobicContact CD2-CG 4.19Å; L356-M417 WeakPolarHBondContact CD2-O 3.21Å; M417-L419 HydrophobicContact CE-CB 4.26Å; M417-L419 WeakPolarHBondContact CG-O 3.38Å; M417-P421 HydrophobicContact SD-CB 4.35Å; M417-E426 HydrophobicContact CE-CB 4.41Å; M417-E426 HydrophobicContact CE-CG 4.41Å; M417-E426 HydrophobicContact SD-CB 4.06Å; M417-V430 HydrophobicContact CG-CG2 3.72Å; M417-V430 HydrophobicContact SD-CG2 3.89Å
418	C	92.3	Very high	94.6	Very high	26 Å²	26	52.3 Å²	52.3	18%	0.176	27%	0.27	C	S	.	.	S	Bend	trans	-108.1	-5.4	169.3	53.4	0	0	0	0	114	Y299 Y352	Y299-C418 VanDerWaalsContact CB-O 3.29Å; Y299-C418 WeakPolarHBondContact CB-O 3.38Å; Y352-C418 VanDerWaalsContact OH-CA 3.25Å; Y352-C418 WeakPolarHBondContact OH-CA 3.34Å
419	L	93.7	Very high	95	Very high	88 Å²	88	51.7 Å²	51.7	46%	0.461	27%	0.269	S	S	.	.	S	Bend	trans	-90.3	153.4	172.5	-59	177.6	0	0	0	110.1	M417	M417-L419 HydrophobicContact CE-CB 4.26Å; M417-L419 WeakPolarHBondContact CG-O 3.38Å
420	F	96.3	Very high	95.4	Very high	63 Å²	63	51.6 Å²	51.6	28%	0.276	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-61.1	127.9	176.8	-67.4	-48.4	0	0	0	111.6	Y299 L356 D359 A360 L363 R383 L422	Y299-F420 AromaticContact CD2-CE1 3.92Å; Y299-F420 HydrophobicContact CD2-CE1 3.92Å; Y299-F420 HydrophobicContact CD2-CZ 4.28Å; Y299-F420 HydrophobicContact CE2-CD1 4.37Å; Y299-F420 AromaticContact CE2-CE1 3.34Å; Y299-F420 HydrophobicContact CE2-CE1 3.34Å; Y299-F420 AromaticContact CE2-CZ 3.79Å; Y299-F420 HydrophobicContact CE2-CZ 3.79Å; L356-F420 HydrophobicContact CD1-CD1 3.73Å; L356-F420 HydrophobicContact CD1-CE1 4.14Å; D359-F420 HydrophobicContact CB-CD1 4.48Å; D359-F420 HydrophobicContact CB-CE1 3.67Å; D359-F420 HydrophobicContact CB-CZ 4.17Å; A360-F420 HydrophobicContact CB-CB 3.84Å; A360-F420 HydrophobicContact CB-CD1 3.99Å; A360-F420 HydrophobicContact CB-CG 4.21Å; L363-F420 HydrophobicContact CD2-CD2 3.82Å; L363-F420 HydrophobicContact CD2-CE2 4.28Å; R383-F420 PolarHBondContact NH2-O 3.14Å; F420-L422 PolarHBondContact O-N 2.99Å
421	P	97.1	Very high	95.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-63	131.5	172.3	23.7	-33	0	0	0	110.6	L357 A360 M417 E426 A427 F471	L357-P421 HydrophobicContact CD2-CG 3.81Å; A360-P421 HydrophobicContact CB-CG 3.84Å; M417-P421 HydrophobicContact SD-CB 4.35Å; P421-E426 WeakPolarHBondContact CA-OE2 3.45Å; P421-E426 HydrophobicContact CB-CB 3.69Å; P421-A427 HydrophobicContact CB-CB 4.02Å; P421-A427 HydrophobicContact CG-CB 4.37Å; P421-F471 HydrophobicContact CG-CZ 4.37Å; P421-F471 WeakPolarHBondContact O-CE1 3.42Å
422	L	96.7	Very high	96.1	Very high	4 Å²	4	51 Å²	51	2%	0.021	26%	0.256	C	S	.	.			trans	-105	-8.3	-178.8	-60.9	-178.9	0	0	0	113.2	L364 Q376 L379 K380 R383 F420 E426	L364-L422 HydrophobicContact CD1-CD2 4.26Å; Q376-L422 WeakPolarHBondContact CG-O 3.18Å; Q376-L422 PolarHBondContact NE2-O 3.21Å; L379-L422 HydrophobicContact CB-CD1 3.94Å; L379-L422 HydrophobicContact CB-CD2 3.92Å; L379-L422 HydrophobicContact CD1-CD2 3.98Å; K380-L422 HydrophobicContact CB-CD1 4.4Å; K380-L422 HydrophobicContact CG-CB 4.11Å; K380-L422 HydrophobicContact CG-CD1 3.69Å; R383-L422 VanDerWaalsContact CZ-CD1 3.44Å; F420-L422 PolarHBondContact O-N 2.99Å; L422-E426 PolarHBondContact N-OE2 3.38Å
423	D	96.3	Very high	96.3	Very high	44 Å²	44	51.3 Å²	51.3	24%	0.235	26%	0.258	C	S	.	.	S	Bend	trans	-147.5	175.8	177.6	66.3	47.1	0	0	0	112.3	T425 E426 A427	D423-T425 VanDerWaalsContact C-N 3.26Å; D423-T425 PolarHBondContact O-N 2.88Å; D423-T425 WeakPolarHBondContact OD1-CA 3.31Å; D423-T425 VanDerWaalsContact OD1-CB 3.32Å; D423-T425 WeakPolarHBondContact OD1-CB 3.48Å; D423-T425 PolarHBondContact OD1-N 2.91Å; D423-E426 PolarHBondContact O-N 3.36Å; D423-E426 PolarHBondContact OD1-N 3.41Å; D423-A427 VanDerWaalsContact O-CB 3.26Å; D423-A427 WeakPolarHBondContact O-CB 3.36Å; D423-A427 PolarHBondContact O-N 3.31Å
424	F	97.8	Very high	96.6	Very high	37 Å²	37	50 Å²	50	16%	0.162	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-35.6	-179.5	-175.6	-101.4	0	0	0	113.5	R428 L468 F471 E472 M481	F424-R428 HydrophobicContact CE1-CB 4.21Å; F424-R428 HydrophobicContact CZ-CB 4.33Å; F424-R428 WeakPolarHBondContact O-CB 3.25Å; F424-R428 PolarHBondContact O-N 2.94Å; F424-L468 HydrophobicContact CD2-CD1 4.05Å; F424-L468 HydrophobicContact CE2-CD1 3.64Å; F424-L468 HydrophobicContact CE2-CD2 4.34Å; F424-L468 HydrophobicContact CE2-CG 3.89Å; F424-L468 HydrophobicContact CZ-CD1 4.32Å; F424-F471 HydrophobicContact CB-CB 4.33Å; F424-F471 WeakPolarHBondContact CB-O 3.5Å; F424-F471 HydrophobicContact CD2-CB 4.28Å; F424-E472 HydrophobicContact CD2-CB 3.87Å; F424-E472 HydrophobicContact CE2-CB 3.9Å; F424-E472 HydrophobicContact CE2-CG 4.44Å; F424-E472 VanDerWaalsContact CE2-OE2 3.31Å; F424-E472 WeakPolarHBondContact CE2-OE2 3.41Å; F424-E472 VanDerWaalsContact CZ-OE2 3.29Å; F424-E472 WeakPolarHBondContact CZ-OE2 3.27Å; F424-M481 HydrophobicContact CE2-CE 3.68Å; F424-M481 HydrophobicContact CZ-CE 3.84Å
425	T	97.8	Very high	96.9	Very high	108 Å²	108	44.7 Å²	44.7	66%	0.663	23%	0.227	S	C	*	.	H	α-helix	trans	-70.3	-47.6	-176	-56.3	0	0	0	0	110	D423 R428 A429	D423-T425 VanDerWaalsContact C-N 3.26Å; D423-T425 PolarHBondContact O-N 2.88Å; D423-T425 WeakPolarHBondContact OD1-CA 3.31Å; D423-T425 VanDerWaalsContact OD1-CB 3.32Å; D423-T425 WeakPolarHBondContact OD1-CB 3.48Å; D423-T425 PolarHBondContact OD1-N 2.91Å; T425-R428 PolarHBondContact O-N 3.18Å; T425-A429 PolarHBondContact O-N 3.29Å
426	E	97.5	Very high	97.1	Very high	54 Å²	54	42.5 Å²	42.5	25%	0.252	22%	0.222	S	C	.	.	H	α-helix	trans	-61.4	-49.2	174.4	-66.2	-176.4	179.9	0	0	110.9	R383 M417 P421 L422 D423 R428 A429 V430	R383-E426 IonicContact NH1-OE1 2.9Å; R383-E426 PolarHBondContact NH1-OE1 3.34Å; R383-E426 IonicContact NH1-OE2 3.71Å; R383-E426 PolarHBondContact NH1-OE2 2.93Å; M417-E426 HydrophobicContact CE-CB 4.41Å; M417-E426 HydrophobicContact CE-CG 4.41Å; M417-E426 HydrophobicContact SD-CB 4.06Å; P421-E426 WeakPolarHBondContact CA-OE2 3.45Å; P421-E426 HydrophobicContact CB-CB 3.69Å; L422-E426 PolarHBondContact N-OE2 3.38Å; D423-E426 PolarHBondContact O-N 3.36Å; D423-E426 PolarHBondContact OD1-N 3.41Å; E426-R428 VanDerWaalsContact C-N 3.29Å; E426-R428 PolarHBondContact O-N 3.04Å; E426-A429 WeakPolarHBondContact O-CB 3.41Å; E426-A429 PolarHBondContact O-N 3.2Å; E426-A429 VanDerWaalsContact O-N 3.11Å; E426-V430 PolarHBondContact O-N 3.39Å
427	A	98.4	Very high	97.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-39.2	179.2	0	0	0	0	0	112.1	L357 P421 D423 V430 F431 L468 F471	L357-A427 HydrophobicContact CD2-CB 3.69Å; P421-A427 HydrophobicContact CB-CB 4.02Å; P421-A427 HydrophobicContact CG-CB 4.37Å; D423-A427 VanDerWaalsContact O-CB 3.26Å; D423-A427 WeakPolarHBondContact O-CB 3.36Å; D423-A427 PolarHBondContact O-N 3.31Å; A427-V430 PolarHBondContact O-N 3.24Å; A427-F431 WeakPolarHBondContact O-CB 3.32Å; A427-F431 PolarHBondContact O-N 2.88Å; A427-L468 HydrophobicContact CB-CD1 3.93Å; A427-F471 HydrophobicContact CB-CB 4.09Å; A427-F471 HydrophobicContact CB-CD1 4.21Å; A427-F471 HydrophobicContact CB-CD2 3.53Å; A427-F471 HydrophobicContact CB-CE2 3.96Å; A427-F471 HydrophobicContact CB-CG 3.68Å; A427-F471 HydrophobicContact CB-CZ 4.45Å
428	R	98.4	Very high	97.5	Very high	124 Å²	124	40.8 Å²	40.8	47%	0.468	21%	0.212	S	C	.	.	H	α-helix	trans	-65.9	-37.4	176.4	-178.5	175.4	172.8	-83	-2.7	111.9	F424 T425 E426 F431 L432 L468	F424-R428 HydrophobicContact CE1-CB 4.21Å; F424-R428 HydrophobicContact CZ-CB 4.33Å; F424-R428 WeakPolarHBondContact O-CB 3.25Å; F424-R428 PolarHBondContact O-N 2.94Å; T425-R428 PolarHBondContact O-N 3.18Å; E426-R428 VanDerWaalsContact C-N 3.29Å; E426-R428 PolarHBondContact O-N 3.04Å; R428-F431 PolarHBondContact O-N 3.23Å; R428-L432 HydrophobicContact CG-CD1 4.31Å; R428-L432 HydrophobicContact CG-CG 4.37Å; R428-L432 VanDerWaalsContact O-CG 3.28Å; R428-L432 WeakPolarHBondContact O-CG 3.27Å; R428-L432 PolarHBondContact O-N 2.91Å; R428-L468 HydrophobicContact CB-CD1 4.06Å
429	A	98.5	Very high	97.8	Very high	51 Å²	51	43.1 Å²	43.1	42%	0.421	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-46.7	176.3	0	0	0	0	0	110.9	T425 E426 L432 V433	T425-A429 PolarHBondContact O-N 3.29Å; E426-A429 WeakPolarHBondContact O-CB 3.41Å; E426-A429 PolarHBondContact O-N 3.2Å; E426-A429 VanDerWaalsContact O-N 3.11Å; A429-L432 PolarHBondContact O-N 2.91Å; A429-V433 PolarHBondContact O-N 3.19Å
430	V	98.7	Very high	97.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-45.1	174.9	179.7	0	0	0	0	111.5	C353 L356 L357 V416 M417 E426 A427 L432 V433 G434	C353-V430 HydrophobicContact CB-CG1 3.82Å; L356-V430 HydrophobicContact CD2-CG1 4.16Å; L356-V430 HydrophobicContact CD2-CG2 4.03Å; L357-V430 HydrophobicContact CD1-CG1 4.09Å; L357-V430 HydrophobicContact CD2-CB 4.27Å; L357-V430 HydrophobicContact CD2-CG1 4.39Å; L357-V430 HydrophobicContact CG-CB 4.32Å; L357-V430 HydrophobicContact CG-CG1 3.9Å; V416-V430 HydrophobicContact CG2-CG1 4.35Å; V416-V430 HydrophobicContact CG2-CG2 4.3Å; M417-V430 HydrophobicContact CG-CG2 3.72Å; M417-V430 HydrophobicContact SD-CG2 3.89Å; E426-V430 PolarHBondContact O-N 3.39Å; A427-V430 PolarHBondContact O-N 3.24Å; V430-L432 VanDerWaalsContact C-N 3.33Å; V430-L432 PolarHBondContact O-N 3.27Å; V430-V433 PolarHBondContact O-N 3Å; V430-G434 PolarHBondContact O-N 2.89Å
431	F	98.7	Very high	98	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-56.6	-44.3	177.3	169.4	-88.8	0	0	0	112.4	L357 A427 R428 V433 G434 Q435 L464 F465 L468	L357-F431 HydrophobicContact CD1-CB 4.44Å; A427-F431 WeakPolarHBondContact O-CB 3.32Å; A427-F431 PolarHBondContact O-N 2.88Å; R428-F431 PolarHBondContact O-N 3.23Å; F431-V433 VanDerWaalsContact C-N 3.31Å; F431-V433 PolarHBondContact O-N 2.55Å; F431-G434 PolarHBondContact O-N 2.98Å; F431-Q435 HydrophobicContact CE1-CB 4.17Å; F431-Q435 HydrophobicContact CZ-CB 4.29Å; F431-Q435 WeakPolarHBondContact O-CB 3.26Å; F431-Q435 PolarHBondContact O-N 3.22Å; F431-L464 HydrophobicContact CD2-CB 3.87Å; F431-L464 HydrophobicContact CE2-CB 3.9Å; F431-F465 HydrophobicContact CE1-CE1 4.19Å; F431-F465 HydrophobicContact CE1-CZ 4.47Å; F431-F465 AromaticContact CE2-CD1 3.72Å; F431-F465 HydrophobicContact CE2-CD1 3.72Å; F431-F465 HydrophobicContact CE2-CD2 4.17Å; F431-F465 AromaticContact CE2-CE1 3.87Å; F431-F465 HydrophobicContact CE2-CE1 3.87Å; F431-F465 HydrophobicContact CE2-CE2 4.32Å; F431-F465 AromaticContact CE2-CG 3.89Å; F431-F465 HydrophobicContact CE2-CG 3.89Å; F431-F465 HydrophobicContact CE2-CZ 4.17Å; F431-F465 AromaticContact CZ-CD1 3.71Å; F431-F465 HydrophobicContact CZ-CD1 3.71Å; F431-F465 HydrophobicContact CZ-CD2 4.3Å; F431-F465 AromaticContact CZ-CE1 3.34Å; F431-F465 HydrophobicContact CZ-CE1 3.34Å; F431-F465 AromaticContact CZ-CE2 4Å; F431-F465 HydrophobicContact CZ-CE2 4Å; F431-F465 HydrophobicContact CZ-CG 4.18Å; F431-F465 AromaticContact CZ-CZ 3.5Å; F431-F465 HydrophobicContact CZ-CZ 3.5Å; F431-L468 HydrophobicContact CB-CB 4.49Å; F431-L468 HydrophobicContact CB-CD1 4.34Å; F431-L468 HydrophobicContact CB-CD2 4.03Å; F431-L468 HydrophobicContact CD1-CD2 3.86Å; F431-L468 HydrophobicContact CD2-CB 4.1Å; F431-L468 HydrophobicContact CD2-CD2 3.89Å; F431-L468 HydrophobicContact CE1-CD2 4.37Å; F431-L468 HydrophobicContact CE2-CD2 4.39Å; F431-L468 HydrophobicContact CG-CB 4.42Å; F431-L468 HydrophobicContact CG-CD2 3.63Å; F431-L468 HydrophobicContact CG-CG 4.48Å
432	L	98.7	Very high	98	Very high	69 Å²	69	42.7 Å²	42.7	36%	0.361	22%	0.221	S	C	.	.	H	α-helix	trans	-64.1	-37.7	-178.5	-75.2	175.4	0	0	0	112	R428 A429 V430 Q435 N436	R428-L432 HydrophobicContact CG-CD1 4.31Å; R428-L432 HydrophobicContact CG-CG 4.37Å; R428-L432 VanDerWaalsContact O-CG 3.28Å; R428-L432 WeakPolarHBondContact O-CG 3.27Å; R428-L432 PolarHBondContact O-N 2.91Å; A429-L432 PolarHBondContact O-N 2.91Å; V430-L432 VanDerWaalsContact C-N 3.33Å; V430-L432 PolarHBondContact O-N 3.27Å; L432-Q435 PolarHBondContact O-N 3.12Å; L432-N436 PolarHBondContact O-N 3.48Å
433	V	98.6	Very high	97.9	Very high	22 Å²	22	48.7 Å²	48.7	13%	0.133	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-49.5	173.1	177.3	0	0	0	0	110.2	K415 V416 A429 V430 F431 Q435 N436 Y437	K415-V433 WeakPolarHBondContact O-CG2 3.2Å; V416-V433 HydrophobicContact CB-CB 4.45Å; V416-V433 HydrophobicContact CB-CG1 4.16Å; V416-V433 HydrophobicContact CB-CG2 4.15Å; V416-V433 HydrophobicContact CG2-CB 4.42Å; V416-V433 HydrophobicContact CG2-CG1 4.4Å; V416-V433 HydrophobicContact CG2-CG2 4.43Å; A429-V433 PolarHBondContact O-N 3.19Å; V430-V433 PolarHBondContact O-N 3Å; F431-V433 VanDerWaalsContact C-N 3.31Å; F431-V433 PolarHBondContact O-N 2.55Å; V433-Q435 VanDerWaalsContact C-N 3.32Å; V433-Q435 PolarHBondContact O-N 2.94Å; V433-N436 WeakPolarHBondContact O-CB 3.07Å; V433-N436 PolarHBondContact O-N 3.02Å; V433-N436 VanDerWaalsContact O-N 3.16Å; V433-Y437 HydrophobicContact CG1-CD2 3.82Å; V433-Y437 HydrophobicContact CG1-CE2 3.62Å; V433-Y437 VanDerWaalsContact O-CD2 3.26Å; V433-Y437 WeakPolarHBondContact O-CD2 3.47Å; V433-Y437 PolarHBondContact O-N 3.28Å; V433-Y437 VanDerWaalsContact O-N 3.11Å
434	G	98.6	Very high	97.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.5	-44.2	176.1	0	0	0	0	0	112.6	V430 F431 N436 Y437 V438	V430-G434 PolarHBondContact O-N 2.89Å; F431-G434 PolarHBondContact O-N 2.98Å; G434-N436 PolarHBondContact O-N 3.37Å; G434-Y437 PolarHBondContact O-N 3.49Å; G434-V438 WeakPolarHBondContact O-CG2 3.26Å; G434-V438 PolarHBondContact O-N 3.45Å
435	Q	98.4	Very high	97.8	Very high	51 Å²	51	46.1 Å²	46.1	24%	0.238	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-36.5	177.7	175.9	166.5	74.6	0	0	113	F431 L432 V433 V438 T439 H461	F431-Q435 HydrophobicContact CE1-CB 4.17Å; F431-Q435 HydrophobicContact CZ-CB 4.29Å; F431-Q435 WeakPolarHBondContact O-CB 3.26Å; F431-Q435 PolarHBondContact O-N 3.22Å; L432-Q435 PolarHBondContact O-N 3.12Å; V433-Q435 VanDerWaalsContact C-N 3.32Å; V433-Q435 PolarHBondContact O-N 2.94Å; Q435-V438 PolarHBondContact O-N 3.46Å; Q435-T439 PolarHBondContact O-N 2.87Å; Q435-T439 PolarHBondContact O-OG1 3.39Å; Q435-H461 PolarHBondContact NE2-NE2 2.91Å
436	N	98.4	Very high	97.7	Very high	85 Å²	85	46.2 Å²	46.2	46%	0.455	23%	0.228	S	C	.	.	H	α-helix	trans	-61.9	-46.1	173.1	-177.3	29.9	0	0	0	110.7	L432 V433 G434 T439 Q440	L432-N436 PolarHBondContact O-N 3.48Å; V433-N436 WeakPolarHBondContact O-CB 3.07Å; V433-N436 PolarHBondContact O-N 3.02Å; V433-N436 VanDerWaalsContact O-N 3.16Å; G434-N436 PolarHBondContact O-N 3.37Å; N436-T439 WeakPolarHBondContact O-CB 3.28Å; N436-T439 PolarHBondContact O-N 3.28Å; N436-T439 VanDerWaalsContact O-N 3.11Å; N436-Q440 PolarHBondContact ND2-NE2 3.25Å; N436-Q440 PolarHBondContact O-N 2.9Å; N436-Q440 PolarHBondContact OD1-NE2 3.47Å
437	Y	98.6	Very high	97.4	Very high	21 Å²	21	46.8 Å²	46.8	8%	0.082	23%	0.231	C	C	.	.	H	α-helix	trans	-69.4	-31.5	177.1	-73.5	-68	0	0	0	113.7	A346 W349 V433 G434 T439 Q440 A441	A346-Y437 HydrophobicContact CB-CD1 3.88Å; W349-Y437 HydrophobicContact CB-CD1 3.95Å; W349-Y437 HydrophobicContact CB-CD2 3.42Å; W349-Y437 VanDerWaalsContact CB-CD2 3.42Å; W349-Y437 HydrophobicContact CB-CE1 4.2Å; W349-Y437 HydrophobicContact CB-CE2 3.71Å; W349-Y437 HydrophobicContact CB-CG 3.54Å; W349-Y437 AromaticContact CD1-CD1 3.94Å; W349-Y437 AromaticContact CD1-CE1 3.43Å; W349-Y437 VanDerWaalsContact CD1-CE1 3.43Å; W349-Y437 AromaticContact CD1-CE2 3.89Å; W349-Y437 AromaticContact CD1-CZ 3.39Å; W349-Y437 HydrophobicContact CD2-CD2 4.41Å; W349-Y437 AromaticContact CD2-CE2 3.78Å; W349-Y437 HydrophobicContact CD2-CE2 3.78Å; W349-Y437 AromaticContact CD2-CZ 3.91Å; W349-Y437 AromaticContact CE2-CZ 3.91Å; W349-Y437 HydrophobicContact CE3-CE2 4.35Å; W349-Y437 HydrophobicContact CG-CD1 4.12Å; W349-Y437 AromaticContact CG-CD2 3.81Å; W349-Y437 HydrophobicContact CG-CD2 3.81Å; W349-Y437 AromaticContact CG-CE1 3.87Å; W349-Y437 HydrophobicContact CG-CE1 3.87Å; W349-Y437 AromaticContact CG-CE2 3.52Å; W349-Y437 HydrophobicContact CG-CE2 3.52Å; W349-Y437 HydrophobicContact CG-CG 4.09Å; W349-Y437 AromaticContact CG-CZ 3.54Å; W349-Y437 AromaticContact NE1-CE1 3.94Å; W349-Y437 AromaticContact NE1-CZ 3.6Å; W349-Y437 PolarHBondContact NE1-OH 3.4Å; V433-Y437 HydrophobicContact CG1-CD2 3.82Å; V433-Y437 HydrophobicContact CG1-CE2 3.62Å; V433-Y437 VanDerWaalsContact O-CD2 3.26Å; V433-Y437 WeakPolarHBondContact O-CD2 3.47Å; V433-Y437 PolarHBondContact O-N 3.28Å; V433-Y437 VanDerWaalsContact O-N 3.11Å; G434-Y437 PolarHBondContact O-N 3.49Å; Y437-T439 VanDerWaalsContact C-N 3.26Å; Y437-T439 PolarHBondContact O-N 3.03Å; Y437-Q440 PolarHBondContact O-N 3.02Å; Y437-A441 WeakPolarHBondContact O-CB 3.45Å; Y437-A441 PolarHBondContact O-N 2.85Å
438	V	98.6	Very high	97.1	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-44.5	167.2	167.3	0	0	0	0	110.4	I350 G434 Q435 K442 I457 H461 L464	I350-V438 HydrophobicContact CD1-CB 4.24Å; I350-V438 HydrophobicContact CD1-CG2 3.73Å; I350-V438 HydrophobicContact CG1-CG2 3.89Å; I350-V438 HydrophobicContact CG2-CG2 4.12Å; G434-V438 WeakPolarHBondContact O-CG2 3.26Å; G434-V438 PolarHBondContact O-N 3.45Å; Q435-V438 PolarHBondContact O-N 3.46Å; V438-K442 HydrophobicContact CG1-CD 3.83Å; V438-K442 HydrophobicContact CG1-CG 4.45Å; V438-K442 WeakPolarHBondContact O-CB 3.48Å; V438-K442 VanDerWaalsContact O-CG 3.23Å; V438-K442 WeakPolarHBondContact O-CG 3.47Å; V438-K442 PolarHBondContact O-N 3.09Å; V438-K442 VanDerWaalsContact O-N 3.09Å; V438-I457 HydrophobicContact CG1-CG2 4.01Å; V438-H461 HydrophobicContact CG1-CB 3.93Å; V438-H461 HydrophobicContact CG2-CB 3.96Å; V438-L464 HydrophobicContact CG2-CD1 4.08Å
439	T	97.9	Very high	96.7	Very high	75 Å²	75	51 Å²	51	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-63.3	-48	180	-54.4	0	0	0	0	110.3	Q435 N436 Y437 K442 E443	Q435-T439 PolarHBondContact O-N 2.87Å; Q435-T439 PolarHBondContact O-OG1 3.39Å; N436-T439 WeakPolarHBondContact O-CB 3.28Å; N436-T439 PolarHBondContact O-N 3.28Å; N436-T439 VanDerWaalsContact O-N 3.11Å; Y437-T439 VanDerWaalsContact C-N 3.26Å; Y437-T439 PolarHBondContact O-N 3.03Å; T439-K442 PolarHBondContact O-N 3.42Å; T439-E443 PolarHBondContact O-N 3.01Å
440	Q	96.6	Very high	96.6	Very high	74 Å²	74	51.8 Å²	51.8	35%	0.346	27%	0.272	S	S	.	.	H	α-helix	trans	-61	-45.5	177.6	-68.8	172.6	40.8	0	0	112.8	A346 N436 Y437 K442 E443	A346-Q440 HydrophobicContact CB-CB 4.3Å; N436-Q440 PolarHBondContact ND2-NE2 3.25Å; N436-Q440 PolarHBondContact O-N 2.9Å; N436-Q440 PolarHBondContact OD1-NE2 3.47Å; Y437-Q440 PolarHBondContact O-N 3.02Å; Q440-K442 VanDerWaalsContact C-N 3.29Å; Q440-K442 PolarHBondContact O-N 3.37Å; Q440-E443 WeakPolarHBondContact O-CB 3.48Å; Q440-E443 PolarHBondContact O-N 3.45Å
441	A	97.9	Very high	96.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-38.2	179.5	0	0	0	0	0	111.7	A346 R347 I350 Y437 E443 Y444 F445 I457	A346-A441 HydrophobicContact CB-CB 4.08Å; R347-A441 HydrophobicContact CG-CB 4.15Å; I350-A441 HydrophobicContact CD1-CB 4.07Å; Y437-A441 WeakPolarHBondContact O-CB 3.45Å; Y437-A441 PolarHBondContact O-N 2.85Å; A441-E443 VanDerWaalsContact C-N 3.29Å; A441-E443 PolarHBondContact O-N 3.17Å; A441-Y444 PolarHBondContact O-N 3Å; A441-F445 WeakPolarHBondContact O-CD2 3.26Å; A441-F445 PolarHBondContact O-N 2.97Å; A441-I457 HydrophobicContact CB-CD1 3.87Å; A441-I457 HydrophobicContact CB-CG1 4.46Å; A441-I457 HydrophobicContact CB-CG2 4.48Å
442	K	96.9	Very high	96.3	Very high	68 Å²	68	55.6 Å²	55.6	30%	0.296	30%	0.296	S	S	.	.	H	α-helix	trans	-71.7	-17.2	178.8	-72.8	177.9	69.7	-174.6	0	114.5	V438 T439 Q440 Y444 H454 I457 L458	V438-K442 HydrophobicContact CG1-CD 3.83Å; V438-K442 HydrophobicContact CG1-CG 4.45Å; V438-K442 WeakPolarHBondContact O-CB 3.48Å; V438-K442 VanDerWaalsContact O-CG 3.23Å; V438-K442 WeakPolarHBondContact O-CG 3.47Å; V438-K442 PolarHBondContact O-N 3.09Å; V438-K442 VanDerWaalsContact O-N 3.09Å; T439-K442 PolarHBondContact O-N 3.42Å; Q440-K442 VanDerWaalsContact C-N 3.29Å; Q440-K442 PolarHBondContact O-N 3.37Å; K442-Y444 VanDerWaalsContact C-N 3.25Å; K442-Y444 PolarHBondContact O-N 2.89Å; K442-H454 WeakPolarHBondContact CE-CE1 3.4Å; K442-I457 HydrophobicContact CD-CG2 4.24Å; K442-I457 HydrophobicContact CG-CG2 3.73Å; K442-L458 HydrophobicContact CD-CD2 4.32Å
443	E	94.6	Very high	96.2	Very high	130 Å²	130	54.5 Å²	54.5	61%	0.607	29%	0.29	S	S	*	.	H	α-helix	trans	-63.1	-37.5	174.1	-72.5	175.6	-175.2	0	0	110.9	T439 Q440 A441 Q446	T439-E443 PolarHBondContact O-N 3.01Å; Q440-E443 WeakPolarHBondContact O-CB 3.48Å; Q440-E443 PolarHBondContact O-N 3.45Å; A441-E443 VanDerWaalsContact C-N 3.29Å; A441-E443 PolarHBondContact O-N 3.17Å; E443-Q446 PolarHBondContact O-NE2 3.37Å
444	Y	95.1	Very high	96.1	Very high	20 Å²	20	54.4 Å²	54.4	8%	0.078	29%	0.288	C	S	.	.	H	α-helix	trans	-92.5	-53.9	176.7	179.8	-100.2	0	0	0	112.7	E336 W339 Q340 A343 A441 K442 Q446 Y450	E336-Y444 VanDerWaalsContact OE1-CE2 3.25Å; E336-Y444 WeakPolarHBondContact OE1-CE2 3.49Å; E336-Y444 VanDerWaalsContact OE1-CZ 3.28Å; E336-Y444 PolarHBondContact OE1-OH 3.29Å; W339-Y444 HydrophobicContact CB-CD2 3.7Å; W339-Y444 HydrophobicContact CB-CE2 4.08Å; W339-Y444 HydrophobicContact CE3-CD2 4.44Å; Q340-Y444 HydrophobicContact CB-CE1 3.73Å; Q340-Y444 HydrophobicContact CB-CE2 4.12Å; Q340-Y444 VanDerWaalsContact CB-CZ 3.48Å; Q340-Y444 WeakPolarHBondContact CB-OH 3.42Å; Q340-Y444 HydrophobicContact CG-CE1 3.68Å; A343-Y444 HydrophobicContact CB-CD1 3.93Å; A343-Y444 HydrophobicContact CB-CG 4.1Å; A441-Y444 PolarHBondContact O-N 3Å; K442-Y444 VanDerWaalsContact C-N 3.25Å; K442-Y444 PolarHBondContact O-N 2.89Å; Y444-Q446 PolarHBondContact O-N 3.3Å; Y444-Y450 HydrophobicContact CE1-CE1 4.14Å; Y444-Y450 HydrophobicContact CE1-CE2 4.29Å; Y444-Y450 AromaticContact CE1-CZ 3.86Å; Y444-Y450 AromaticContact CZ-CZ 3.79Å; Y444-Y450 PolarHBondContact OH-OH 3.36Å
445	F	96.9	Very high	96.1	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.026	29%	0.289	C	S	.	.	S	Bend	trans	-78	69.2	179.8	-64.2	-67.7	0	0	0	110.6	A343 E344 R347 A441 Y450 D453 H454 I457	A343-F445 HydrophobicContact CB-CD2 3.77Å; A343-F445 HydrophobicContact CB-CE2 3.42Å; A343-F445 VanDerWaalsContact CB-CE2 3.42Å; A343-F445 HydrophobicContact CB-CZ 4.29Å; E344-F445 HydrophobicContact CG-CZ 4.12Å; R347-F445 HydrophobicContact CG-CE2 4.3Å; A441-F445 WeakPolarHBondContact O-CD2 3.26Å; A441-F445 PolarHBondContact O-N 2.97Å; F445-Y450 AromaticContact CD1-CD1 3.81Å; F445-Y450 HydrophobicContact CD1-CD1 3.81Å; F445-Y450 HydrophobicContact CD1-CE1 4.43Å; F445-Y450 AromaticContact CD1-CG 3.93Å; F445-Y450 HydrophobicContact CD1-CG 3.93Å; F445-Y450 HydrophobicContact CE1-CD1 4.22Å; F445-D453 HydrophobicContact CB-CB 4.26Å; F445-D453 HydrophobicContact CD1-CB 3.61Å; F445-D453 HydrophobicContact CE1-CB 4.16Å; F445-D453 HydrophobicContact CG-CB 4.03Å; F445-H454 PolarHBondContact O-ND1 2.83Å; F445-I457 HydrophobicContact CB-CD1 3.63Å; F445-I457 HydrophobicContact CD2-CD1 3.67Å; F445-I457 HydrophobicContact CG-CD1 3.93Å
446	Q	95.4	Very high	96	Very high	110 Å²	110	55.7 Å²	55.7	51%	0.514	29%	0.294	S	S	.	.			trans	-77.7	157.8	176.6	-60.5	-174.5	13.2	0	0	110.8	E443 Y444 D448 Y450	E443-Q446 PolarHBondContact O-NE2 3.37Å; Y444-Q446 PolarHBondContact O-N 3.3Å; Q446-D448 PolarHBondContact O-N 3.05Å; Q446-Y450 CarbonylContact O-C 3.59Å; Q446-Y450 WeakPolarHBondContact O-CA 3.46Å; Q446-Y450 VanDerWaalsContact O-CB 3.31Å; Q446-Y450 WeakPolarHBondContact O-CB 3.34Å; Q446-Y450 PolarHBondContact O-N 3.41Å
447	M	92.1	Very high	96	Very high	66 Å²	66	51.6 Å²	51.6	33%	0.325	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34	178.4	-80.3	-61.6	-62.3	0	0	112.6	V451 H454 I455 I492	M447-V451 HydrophobicContact CE-CG1 4.08Å; M447-V451 VanDerWaalsContact O-CG2 3.3Å; M447-V451 WeakPolarHBondContact O-CG2 3.48Å; M447-H454 HydrophobicContact CG-CB 4.31Å; M447-H454 WeakPolarHBondContact CG-CD2 3.39Å; M447-H454 PolarHBondContact N-ND1 2.99Å; M447-H454 HydrophobicContact SD-CB 3.63Å; M447-H454 PolarHBondContact SD-CD2 3.44Å; M447-I455 HydrophobicContact CE-CD1 4.49Å; M447-I455 HydrophobicContact CE-CG1 4.45Å; M447-I455 HydrophobicContact SD-CG1 4.21Å; M447-I492 HydrophobicContact SD-CD1 4.05Å
448	D	91.1	Very high	96	Very high	147 Å²	147	51 Å²	51	79%	0.786	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	124.1	172.3	-164.9	18.2	0	0	0	109.2	Q446 Y450	Q446-D448 PolarHBondContact O-N 3.05Å; D448-Y450 VanDerWaalsContact C-N 3.29Å; D448-Y450 PolarHBondContact O-N 2.88Å
449	G	90.8	Very high	96	Very high	67 Å²	67	52.3 Å²	52.3	69%	0.691	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-33.5	-174.2	0	0	0	0	0	115.9
450	Y	95.1	Very high	96	Very high	67 Å²	67	49.3 Å²	49.3	26%	0.263	26%	0.258	S	S	.	.			trans	-127.8	48.9	-173	-55.8	-82.5	0	0	0	114.2	E336 Y444 F445 Q446 D448 T452 D453 H454	E336-Y450 PolarHBondContact OE1-OH 3.02Å; Y444-Y450 HydrophobicContact CE1-CE1 4.14Å; Y444-Y450 HydrophobicContact CE1-CE2 4.29Å; Y444-Y450 AromaticContact CE1-CZ 3.86Å; Y444-Y450 AromaticContact CZ-CZ 3.79Å; Y444-Y450 PolarHBondContact OH-OH 3.36Å; F445-Y450 AromaticContact CD1-CD1 3.81Å; F445-Y450 HydrophobicContact CD1-CD1 3.81Å; F445-Y450 HydrophobicContact CD1-CE1 4.43Å; F445-Y450 AromaticContact CD1-CG 3.93Å; F445-Y450 HydrophobicContact CD1-CG 3.93Å; F445-Y450 HydrophobicContact CE1-CD1 4.22Å; Q446-Y450 CarbonylContact O-C 3.59Å; Q446-Y450 WeakPolarHBondContact O-CA 3.46Å; Q446-Y450 VanDerWaalsContact O-CB 3.31Å; Q446-Y450 WeakPolarHBondContact O-CB 3.34Å; Q446-Y450 PolarHBondContact O-N 3.41Å; D448-Y450 VanDerWaalsContact C-N 3.29Å; D448-Y450 PolarHBondContact O-N 2.88Å; Y450-T452 PolarHBondContact O-N 3.11Å; Y450-D453 PolarHBondContact O-N 2.9Å; Y450-H454 VanDerWaalsContact O-CB 3.27Å; Y450-H454 WeakPolarHBondContact O-CB 3.5Å; Y450-H454 PolarHBondContact O-N 3.26Å
451	V	95.3	Very high	96.1	Very high	31 Å²	31	46.6 Å²	46.6	19%	0.188	25%	0.245	C	C	.	.	H	α-helix	trans	-51.8	-50.2	-175.1	179.7	0	0	0	0	112.8	M447 I455 L496 Y501	M447-V451 HydrophobicContact CE-CG1 4.08Å; M447-V451 VanDerWaalsContact O-CG2 3.3Å; M447-V451 WeakPolarHBondContact O-CG2 3.48Å; V451-I455 HydrophobicContact CG1-CD1 3.86Å; V451-I455 WeakPolarHBondContact O-CD1 3.29Å; V451-I455 WeakPolarHBondContact O-CG1 3.48Å; V451-I455 PolarHBondContact O-N 2.82Å; V451-L496 HydrophobicContact CG1-CD1 3.8Å; V451-Y501 HydrophobicContact CB-CE1 4.19Å; V451-Y501 HydrophobicContact CG1-CD1 4.34Å; V451-Y501 HydrophobicContact CG1-CD2 4.43Å; V451-Y501 HydrophobicContact CG1-CE1 3.81Å; V451-Y501 HydrophobicContact CG1-CE2 3.93Å
452	T	95.8	Very high	96.1	Very high	57 Å²	57	46.6 Å²	46.6	35%	0.35	25%	0.245	S	C	.	.	H	α-helix	trans	-66.1	-52.2	-177.2	-55.8	0	0	0	0	111.4	Y450 H454 I455 E456 I504	Y450-T452 PolarHBondContact O-N 3.11Å; T452-H454 VanDerWaalsContact C-N 3.32Å; T452-H454 PolarHBondContact O-N 2.9Å; T452-I455 PolarHBondContact O-N 3.37Å; T452-I455 VanDerWaalsContact O-N 3.17Å; T452-E456 WeakPolarHBondContact O-CG 3.37Å; T452-E456 PolarHBondContact O-N 3.31Å; T452-I504 HydrophobicContact CG2-CD1 4.06Å
453	D	97.2	Very high	96.2	Very high	46 Å²	46	44.7 Å²	44.7	25%	0.246	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-40	-178.6	-59.2	-77.5	0	0	0	112.3	R347 F445 Y450 I455 E456 I457	R347-D453 IonicContact CZ-OD1 2.69Å; R347-D453 IonicContact NH1-OD1 2.77Å; R347-D453 PolarHBondContact NH1-OD1 3.48Å; R347-D453 IonicContact NH2-OD1 2.97Å; F445-D453 HydrophobicContact CB-CB 4.26Å; F445-D453 HydrophobicContact CD1-CB 3.61Å; F445-D453 HydrophobicContact CE1-CB 4.16Å; F445-D453 HydrophobicContact CG-CB 4.03Å; Y450-D453 PolarHBondContact O-N 2.9Å; D453-I455 VanDerWaalsContact C-N 3.33Å; D453-I455 PolarHBondContact O-N 3.25Å; D453-E456 PolarHBondContact O-N 3.15Å; D453-I457 WeakPolarHBondContact O-CD1 3.31Å; D453-I457 VanDerWaalsContact O-CG1 3.26Å; D453-I457 WeakPolarHBondContact O-CG1 3.36Å; D453-I457 PolarHBondContact O-N 3.18Å
454	H	97.6	Very high	96.4	Very high	20 Å²	20	38.5 Å²	38.5	9%	0.093	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-42.1	177.1	-170.1	97.2	0	0	0	111.8	K442 F445 M447 Y450 T452 I457 L458	K442-H454 WeakPolarHBondContact CE-CE1 3.4Å; F445-H454 PolarHBondContact O-ND1 2.83Å; M447-H454 HydrophobicContact CG-CB 4.31Å; M447-H454 WeakPolarHBondContact CG-CD2 3.39Å; M447-H454 PolarHBondContact N-ND1 2.99Å; M447-H454 HydrophobicContact SD-CB 3.63Å; M447-H454 PolarHBondContact SD-CD2 3.44Å; Y450-H454 VanDerWaalsContact O-CB 3.27Å; Y450-H454 WeakPolarHBondContact O-CB 3.5Å; Y450-H454 PolarHBondContact O-N 3.26Å; T452-H454 VanDerWaalsContact C-N 3.32Å; T452-H454 PolarHBondContact O-N 2.9Å; H454-I457 PolarHBondContact O-N 2.86Å; H454-L458 VanDerWaalsContact CD2-CD1 3.44Å; H454-L458 WeakPolarHBondContact CD2-CD1 3.5Å; H454-L458 WeakPolarHBondContact NE2-CD1 3.16Å; H454-L458 WeakPolarHBondContact O-CG 3.48Å; H454-L458 PolarHBondContact O-N 3.36Å
455	I	97.2	Very high	96.6	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-67.6	-42.1	179.4	-65.5	169.7	0	0	0	110.5	M447 V451 T452 D453 I457 L458 Q459 I492 L496 I504 L508	M447-I455 HydrophobicContact CE-CD1 4.49Å; M447-I455 HydrophobicContact CE-CG1 4.45Å; M447-I455 HydrophobicContact SD-CG1 4.21Å; V451-I455 HydrophobicContact CG1-CD1 3.86Å; V451-I455 WeakPolarHBondContact O-CD1 3.29Å; V451-I455 WeakPolarHBondContact O-CG1 3.48Å; V451-I455 PolarHBondContact O-N 2.82Å; T452-I455 PolarHBondContact O-N 3.37Å; T452-I455 VanDerWaalsContact O-N 3.17Å; D453-I455 VanDerWaalsContact C-N 3.33Å; D453-I455 PolarHBondContact O-N 3.25Å; I455-I457 VanDerWaalsContact C-N 3.33Å; I455-I457 PolarHBondContact O-N 3.25Å; I455-L458 CarbonylContact O-C 3.59Å; I455-L458 WeakPolarHBondContact O-CB 3.19Å; I455-L458 PolarHBondContact O-N 2.92Å; I455-L458 VanDerWaalsContact O-N 3.09Å; I455-Q459 HydrophobicContact CG2-CG 4.36Å; I455-Q459 WeakPolarHBondContact O-CG 3.49Å; I455-Q459 PolarHBondContact O-N 3Å; I455-I492 HydrophobicContact CD1-CG2 3.91Å; I455-I492 HydrophobicContact CG1-CG2 3.93Å; I455-L496 HydrophobicContact CD1-CD1 3.83Å; I455-L496 HydrophobicContact CD1-CD2 3.88Å; I455-I504 HydrophobicContact CB-CG2 4.34Å; I455-I504 HydrophobicContact CD1-CG2 3.96Å; I455-I504 HydrophobicContact CG2-CG2 3.55Å; I455-L508 HydrophobicContact CG2-CD1 4.27Å; I455-L508 HydrophobicContact CG2-CD2 4.28Å
456	E	97.8	Very high	96.6	Very high	75 Å²	75	42 Å²	42	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-59.2	-43.7	175.5	-71.6	179.7	-176.8	0	0	111.7	R347 T452 D453 L458 Q459 D460	R347-E456 IonicContact CZ-OE2 3.36Å; R347-E456 IonicContact NH2-OE2 2.81Å; R347-E456 PolarHBondContact NH2-OE2 2.98Å; T452-E456 WeakPolarHBondContact O-CG 3.37Å; T452-E456 PolarHBondContact O-N 3.31Å; D453-E456 PolarHBondContact O-N 3.15Å; E456-L458 VanDerWaalsContact C-N 3.28Å; E456-L458 PolarHBondContact O-N 2.81Å; E456-Q459 PolarHBondContact O-N 3.43Å; E456-D460 PolarHBondContact O-N 3.27Å
457	I	98.4	Very high	96.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-36.2	175.7	-66.3	161.1	0	0	0	111.3	R347 I350 V438 A441 K442 F445 D453 H454 I455 D460 H461	R347-I457 HydrophobicContact CG-CD1 4.23Å; R347-I457 HydrophobicContact CG-CG1 4.14Å; I350-I457 HydrophobicContact CD1-CG2 4.2Å; V438-I457 HydrophobicContact CG1-CG2 4.01Å; A441-I457 HydrophobicContact CB-CD1 3.87Å; A441-I457 HydrophobicContact CB-CG1 4.46Å; A441-I457 HydrophobicContact CB-CG2 4.48Å; K442-I457 HydrophobicContact CD-CG2 4.24Å; K442-I457 HydrophobicContact CG-CG2 3.73Å; F445-I457 HydrophobicContact CB-CD1 3.63Å; F445-I457 HydrophobicContact CD2-CD1 3.67Å; F445-I457 HydrophobicContact CG-CD1 3.93Å; D453-I457 WeakPolarHBondContact O-CD1 3.31Å; D453-I457 VanDerWaalsContact O-CG1 3.26Å; D453-I457 WeakPolarHBondContact O-CG1 3.36Å; D453-I457 PolarHBondContact O-N 3.18Å; H454-I457 PolarHBondContact O-N 2.86Å; I455-I457 VanDerWaalsContact C-N 3.33Å; I455-I457 PolarHBondContact O-N 3.25Å; I457-D460 PolarHBondContact O-N 3.45Å; I457-H461 WeakPolarHBondContact O-CB 3.45Å; I457-H461 PolarHBondContact O-N 2.96Å
458	L	97.5	Very high	97.1	Very high	7 Å²	7	34 Å²	34	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-71.7	-37.2	175.7	-76	177.6	0	0	0	113.2	K442 H454 I455 E456 D460 H461 S462 L489 I492	K442-L458 HydrophobicContact CD-CD2 4.32Å; H454-L458 VanDerWaalsContact CD2-CD1 3.44Å; H454-L458 WeakPolarHBondContact CD2-CD1 3.5Å; H454-L458 WeakPolarHBondContact NE2-CD1 3.16Å; H454-L458 WeakPolarHBondContact O-CG 3.48Å; H454-L458 PolarHBondContact O-N 3.36Å; I455-L458 CarbonylContact O-C 3.59Å; I455-L458 WeakPolarHBondContact O-CB 3.19Å; I455-L458 PolarHBondContact O-N 2.92Å; I455-L458 VanDerWaalsContact O-N 3.09Å; E456-L458 VanDerWaalsContact C-N 3.28Å; E456-L458 PolarHBondContact O-N 2.81Å; L458-D460 VanDerWaalsContact C-N 3.31Å; L458-H461 PolarHBondContact O-N 2.71Å; L458-S462 WeakPolarHBondContact O-CB 3.39Å; L458-S462 PolarHBondContact O-N 3.33Å; L458-L489 HydrophobicContact CB-CD2 4.37Å; L458-I492 HydrophobicContact CD1-CD1 3.13Å; L458-I492 HydrophobicContact CD1-CG1 4.43Å
459	Q	98.3	Very high	97.4	Very high	31 Å²	31	27.1 Å²	27.1	15%	0.145	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-38.9	172.3	-72.8	176.6	-63.6	0	0	110.8	I455 E456 S462 S463 L508	I455-Q459 HydrophobicContact CG2-CG 4.36Å; I455-Q459 WeakPolarHBondContact O-CG 3.49Å; I455-Q459 PolarHBondContact O-N 3Å; E456-Q459 PolarHBondContact O-N 3.43Å; Q459-S462 WeakPolarHBondContact O-CB 3.4Å; Q459-S462 PolarHBondContact O-N 2.77Å; Q459-S463 WeakPolarHBondContact O-CB 3.49Å; Q459-S463 PolarHBondContact O-N 2.69Å; Q459-S463 PolarHBondContact O-OG 2.89Å; Q459-L508 HydrophobicContact CG-CD2 4Å
460	D	98.5	Very high	97.7	Very high	11 Å²	11	24.6 Å²	24.6	6%	0.059	12%	0.12	C	C	.	.	H	α-helix	trans	-63	-43.8	172	-75.4	-23.4	0	0	0	111.6	I350 K351 L354 E456 I457 L458 S462 S463 L464	I350-D460 HydrophobicContact CG2-CB 3.61Å; K351-D460 WeakPolarHBondContact CE-OD2 3.12Å; K351-D460 IonicContact NZ-OD1 3.02Å; K351-D460 PolarHBondContact NZ-OD1 3.28Å; K351-D460 IonicContact NZ-OD2 2.71Å; K351-D460 PolarHBondContact NZ-OD2 3.31Å; L354-D460 HydrophobicContact CD2-CB 4.48Å; E456-D460 PolarHBondContact O-N 3.27Å; I457-D460 PolarHBondContact O-N 3.45Å; L458-D460 VanDerWaalsContact C-N 3.31Å; D460-S462 PolarHBondContact O-N 3.13Å; D460-S463 PolarHBondContact O-N 3.25Å; D460-L464 WeakPolarHBondContact O-CG 3.34Å; D460-L464 PolarHBondContact O-N 3.35Å
461	H	98.7	Very high	97.9	Very high	17 Å²	17	21.6 Å²	21.6	8%	0.079	11%	0.109	C	C	.	.	H	α-helix	trans	-64.2	-40	176.3	-168.4	-168	0	0	0	112.3	Q435 V438 I457 L458 S463 L464 F465 M488	Q435-H461 PolarHBondContact NE2-NE2 2.91Å; V438-H461 HydrophobicContact CG1-CB 3.93Å; V438-H461 HydrophobicContact CG2-CB 3.96Å; I457-H461 WeakPolarHBondContact O-CB 3.45Å; I457-H461 PolarHBondContact O-N 2.96Å; L458-H461 PolarHBondContact O-N 2.71Å; H461-S463 VanDerWaalsContact C-N 3.32Å; H461-L464 WeakPolarHBondContact O-CB 3.38Å; H461-L464 PolarHBondContact O-N 2.95Å; H461-F465 AromaticContact CD2-CD2 3.96Å; H461-F465 AromaticContact CD2-CE2 3.67Å; H461-F465 AromaticContact CE1-CE2 3.9Å; H461-F465 AromaticContact NE2-CE2 3.31Å; H461-F465 VanDerWaalsContact NE2-CE2 3.31Å; H461-F465 WeakPolarHBondContact NE2-CE2 3.42Å; H461-F465 AromaticContact NE2-CZ 3.97Å; H461-F465 VanDerWaalsContact O-CD2 3.32Å; H461-F465 WeakPolarHBondContact O-CD2 3.45Å; H461-F465 PolarHBondContact O-N 3.11Å; H461-M488 PolarHBondContact ND1-SD 3.14Å
462	S	98.6	Very high	97.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.7	-44	172.7	179.4	0	0	0	0	111.1	L458 Q459 D460 L464 F465 R466 R485 L489 E511	L458-S462 WeakPolarHBondContact O-CB 3.39Å; L458-S462 PolarHBondContact O-N 3.33Å; Q459-S462 WeakPolarHBondContact O-CB 3.4Å; Q459-S462 PolarHBondContact O-N 2.77Å; D460-S462 PolarHBondContact O-N 3.13Å; S462-L464 PolarHBondContact O-N 2.88Å; S462-F465 WeakPolarHBondContact O-CB 3.19Å; S462-F465 PolarHBondContact O-N 2.9Å; S462-R466 PolarHBondContact O-N 3.3Å; S462-R485 VanDerWaalsContact O-CD 3.26Å; S462-R485 WeakPolarHBondContact O-CD 3.33Å; S462-R485 PolarHBondContact O-NE 2.76Å; S462-R485 VanDerWaalsContact O-NE 3.11Å; S462-R485 PolarHBondContact OG-NE 3.01Å; S462-L489 WeakPolarHBondContact OG-CD1 3.46Å; S462-E511 VanDerWaalsContact CB-OE1 3.29Å; S462-E511 WeakPolarHBondContact CB-OE1 3.23Å; S462-E511 PolarHBondContact OG-OE1 3.43Å
463	S	98.5	Very high	97.8	Very high	28 Å²	28	25.7 Å²	25.7	20%	0.196	12%	0.122	C	C	.	.	H	α-helix	trans	-66.5	-36	178.5	-61.1	0	0	0	0	112.5	Q459 D460 H461 F465 R466 A467	Q459-S463 WeakPolarHBondContact O-CB 3.49Å; Q459-S463 PolarHBondContact O-N 2.69Å; Q459-S463 PolarHBondContact O-OG 2.89Å; D460-S463 PolarHBondContact O-N 3.25Å; H461-S463 VanDerWaalsContact C-N 3.32Å; S463-F465 VanDerWaalsContact C-N 3.34Å; S463-F465 PolarHBondContact O-N 3.15Å; S463-R466 WeakPolarHBondContact O-CB 3.31Å; S463-R466 PolarHBondContact O-N 2.88Å; S463-A467 WeakPolarHBondContact O-CB 3.31Å; S463-A467 PolarHBondContact O-N 3.21Å
464	L	98.8	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.1	-44.2	171.2	-76.9	173.1	0	0	0	111.4	I350 C353 L354 L357 F431 V438 D460 H461 S462 A467 L468	I350-L464 HydrophobicContact CG2-CD1 4.3Å; C353-L464 HydrophobicContact CB-CD2 4.19Å; L354-L464 HydrophobicContact CB-CD2 3.94Å; L354-L464 HydrophobicContact CB-CG 4.47Å; L354-L464 HydrophobicContact CD1-CD2 4.17Å; L354-L464 HydrophobicContact CD1-CG 4.33Å; L357-L464 HydrophobicContact CD1-CD2 3.88Å; F431-L464 HydrophobicContact CD2-CB 3.87Å; F431-L464 HydrophobicContact CE2-CB 3.9Å; V438-L464 HydrophobicContact CG2-CD1 4.08Å; D460-L464 WeakPolarHBondContact O-CG 3.34Å; D460-L464 PolarHBondContact O-N 3.35Å; H461-L464 WeakPolarHBondContact O-CB 3.38Å; H461-L464 PolarHBondContact O-N 2.95Å; S462-L464 PolarHBondContact O-N 2.88Å; L464-A467 PolarHBondContact O-N 2.92Å; L464-L468 WeakPolarHBondContact O-CB 3.34Å; L464-L468 PolarHBondContact O-N 3.2Å
465	F	98.7	Very high	97.5	Very high	7 Å²	7	26.8 Å²	26.8	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-65.2	-39.1	174.1	-82.3	-68.5	0	0	0	112.5	F431 H461 S462 S463 L468 A469 M481 R484 R485 M488	F431-F465 HydrophobicContact CE1-CE1 4.19Å; F431-F465 HydrophobicContact CE1-CZ 4.47Å; F431-F465 AromaticContact CE2-CD1 3.72Å; F431-F465 HydrophobicContact CE2-CD1 3.72Å; F431-F465 HydrophobicContact CE2-CD2 4.17Å; F431-F465 AromaticContact CE2-CE1 3.87Å; F431-F465 HydrophobicContact CE2-CE1 3.87Å; F431-F465 HydrophobicContact CE2-CE2 4.32Å; F431-F465 AromaticContact CE2-CG 3.89Å; F431-F465 HydrophobicContact CE2-CG 3.89Å; F431-F465 HydrophobicContact CE2-CZ 4.17Å; F431-F465 AromaticContact CZ-CD1 3.71Å; F431-F465 HydrophobicContact CZ-CD1 3.71Å; F431-F465 HydrophobicContact CZ-CD2 4.3Å; F431-F465 AromaticContact CZ-CE1 3.34Å; F431-F465 HydrophobicContact CZ-CE1 3.34Å; F431-F465 AromaticContact CZ-CE2 4Å; F431-F465 HydrophobicContact CZ-CE2 4Å; F431-F465 HydrophobicContact CZ-CG 4.18Å; F431-F465 AromaticContact CZ-CZ 3.5Å; F431-F465 HydrophobicContact CZ-CZ 3.5Å; H461-F465 AromaticContact CD2-CD2 3.96Å; H461-F465 AromaticContact CD2-CE2 3.67Å; H461-F465 AromaticContact CE1-CE2 3.9Å; H461-F465 AromaticContact NE2-CE2 3.31Å; H461-F465 VanDerWaalsContact NE2-CE2 3.31Å; H461-F465 WeakPolarHBondContact NE2-CE2 3.42Å; H461-F465 AromaticContact NE2-CZ 3.97Å; H461-F465 VanDerWaalsContact O-CD2 3.32Å; H461-F465 WeakPolarHBondContact O-CD2 3.45Å; H461-F465 PolarHBondContact O-N 3.11Å; S462-F465 WeakPolarHBondContact O-CB 3.19Å; S462-F465 PolarHBondContact O-N 2.9Å; S463-F465 VanDerWaalsContact C-N 3.34Å; S463-F465 PolarHBondContact O-N 3.15Å; F465-L468 PolarHBondContact O-N 3.44Å; F465-A469 VanDerWaalsContact O-CB 3.31Å; F465-A469 WeakPolarHBondContact O-CB 3.33Å; F465-A469 PolarHBondContact O-N 3.23Å; F465-M481 HydrophobicContact CD1-CB 4.23Å; F465-M481 HydrophobicContact CD1-CG 4.36Å; F465-R484 HydrophobicContact CE2-CB 4.39Å; F465-R484 HydrophobicContact CZ-CB 4.31Å; F465-R485 HydrophobicContact CB-CG 3.63Å; F465-R485 HydrophobicContact CD2-CG 4.48Å; F465-R485 HydrophobicContact CG-CG 4.37Å; F465-M488 HydrophobicContact CD2-CE 3.65Å; F465-M488 HydrophobicContact CE2-CE 3.7Å; F465-M488 HydrophobicContact CE2-SD 4.38Å
466	R	98.3	Very high	97.3	Very high	93 Å²	93	31 Å²	31	35%	0.351	15%	0.148	S	C	.	.	H	α-helix	trans	-60.9	-46.8	176.5	-169.4	-178.3	-168.7	169.3	6.2	110.9	S462 S463 A469 E514 E518	S462-R466 PolarHBondContact O-N 3.3Å; S463-R466 WeakPolarHBondContact O-CB 3.31Å; S463-R466 PolarHBondContact O-N 2.88Å; R466-A469 PolarHBondContact O-N 2.86Å; R466-E514 IonicContact CZ-OE2 2.88Å; R466-E514 IonicContact NH1-OE2 3.19Å; R466-E514 PolarHBondContact NH1-OE2 3.02Å; R466-E514 IonicContact NH2-OE2 3.14Å; R466-E514 PolarHBondContact NH2-OE2 3.19Å; R466-E514 VanDerWaalsContact NH2-OE2 3.11Å; R466-E518 IonicContact CZ-OE1 3.32Å; R466-E518 IonicContact NE-OE1 3.24Å; R466-E518 PolarHBondContact NE-OE1 3.28Å; R466-E518 IonicContact NH2-OE1 2.68Å; R466-E518 PolarHBondContact NH2-OE1 2.96Å
467	A	98.3	Very high	97.2	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.025	15%	0.151	C	C	.	.	H	α-helix	trans	-67	-41.3	179.7	0	0	0	0	0	111.7	L357 Q358 S463 L464 A469 F470 F471	L357-A467 HydrophobicContact CB-CB 3.74Å; Q358-A467 HydrophobicContact CG-CB 4.4Å; S463-A467 WeakPolarHBondContact O-CB 3.31Å; S463-A467 PolarHBondContact O-N 3.21Å; L464-A467 PolarHBondContact O-N 2.92Å; A467-A469 PolarHBondContact O-N 3.41Å; A467-F470 WeakPolarHBondContact O-CB 3.26Å; A467-F470 PolarHBondContact O-N 3.11Å; A467-F471 WeakPolarHBondContact O-CD2 3.44Å
468	L	98.5	Very high	97.1	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-39.8	174.7	179.9	63.4	0	0	0	112.5	F424 A427 R428 F431 L464 F465 F470 F471 M481	F424-L468 HydrophobicContact CD2-CD1 4.05Å; F424-L468 HydrophobicContact CE2-CD1 3.64Å; F424-L468 HydrophobicContact CE2-CD2 4.34Å; F424-L468 HydrophobicContact CE2-CG 3.89Å; F424-L468 HydrophobicContact CZ-CD1 4.32Å; A427-L468 HydrophobicContact CB-CD1 3.93Å; R428-L468 HydrophobicContact CB-CD1 4.06Å; F431-L468 HydrophobicContact CB-CB 4.49Å; F431-L468 HydrophobicContact CB-CD1 4.34Å; F431-L468 HydrophobicContact CB-CD2 4.03Å; F431-L468 HydrophobicContact CD1-CD2 3.86Å; F431-L468 HydrophobicContact CD2-CB 4.1Å; F431-L468 HydrophobicContact CD2-CD2 3.89Å; F431-L468 HydrophobicContact CE1-CD2 4.37Å; F431-L468 HydrophobicContact CE2-CD2 4.39Å; F431-L468 HydrophobicContact CG-CB 4.42Å; F431-L468 HydrophobicContact CG-CD2 3.63Å; F431-L468 HydrophobicContact CG-CG 4.48Å; L464-L468 WeakPolarHBondContact O-CB 3.34Å; L464-L468 PolarHBondContact O-N 3.2Å; F465-L468 PolarHBondContact O-N 3.44Å; L468-F470 PolarHBondContact O-N 3.47Å; L468-F471 PolarHBondContact O-N 3.37Å; L468-F471 VanDerWaalsContact O-N 3.12Å; L468-M481 HydrophobicContact CD2-CE 4.15Å; L468-M481 HydrophobicContact CD2-SD 4.25Å; L468-M481 HydrophobicContact CG-CE 4.33Å; L468-M481 HydrophobicContact CG-SD 4.19Å
469	A	98	Very high	97.1	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-24.4	-178.4	0	0	0	0	0	113.1	F465 R466 A467 F471 E472 R478 M481	F465-A469 VanDerWaalsContact O-CB 3.31Å; F465-A469 WeakPolarHBondContact O-CB 3.33Å; F465-A469 PolarHBondContact O-N 3.23Å; R466-A469 PolarHBondContact O-N 2.86Å; A467-A469 PolarHBondContact O-N 3.41Å; A469-F471 VanDerWaalsContact C-N 3.3Å; A469-F471 PolarHBondContact O-N 2.81Å; A469-E472 PolarHBondContact O-N 3.22Å; A469-R478 HydrophobicContact CB-CG 4.43Å; A469-R478 VanDerWaalsContact O-CD 3.26Å; A469-R478 WeakPolarHBondContact O-CD 3.48Å; A469-R478 VanDerWaalsContact O-CG 3.25Å; A469-R478 WeakPolarHBondContact O-CG 3.34Å; A469-R478 PolarHBondContact O-NE 2.93Å; A469-M481 HydrophobicContact CB-CB 4.3Å; A469-M481 HydrophobicContact CB-SD 3.96Å
470	F	97.7	Very high	97	Very high	13 Å²	13	38.4 Å²	38.4	6%	0.057	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-38.3	174.3	171.3	-101.9	0	0	0	112.6	K361 L364 E365 L371 A467 L468 E472	K361-F470 HydrophobicContact CB-CD1 3.89Å; K361-F470 HydrophobicContact CB-CE1 4.14Å; K361-F470 HydrophobicContact CB-CG 4.25Å; K361-F470 HydrophobicContact CD-CB 3.89Å; K361-F470 HydrophobicContact CD-CD1 4.32Å; K361-F470 HydrophobicContact CD-CD2 3.98Å; K361-F470 HydrophobicContact CD-CG 3.8Å; K361-F470 HydrophobicContact CG-CB 4.27Å; K361-F470 HydrophobicContact CG-CD1 3.76Å; K361-F470 HydrophobicContact CG-CD2 3.84Å; K361-F470 HydrophobicContact CG-CE1 3.97Å; K361-F470 HydrophobicContact CG-CE2 4.04Å; K361-F470 HydrophobicContact CG-CG 3.68Å; K361-F470 HydrophobicContact CG-CZ 4.1Å; L364-F470 HydrophobicContact CB-CE1 3.92Å; L364-F470 HydrophobicContact CB-CZ 4.05Å; E365-F470 HydrophobicContact CB-CE2 4.15Å; E365-F470 HydrophobicContact CB-CZ 4.19Å; E365-F470 HydrophobicContact CG-CE2 4.34Å; L371-F470 HydrophobicContact CB-CE2 4.38Å; L371-F470 HydrophobicContact CB-CZ 4.1Å; L371-F470 HydrophobicContact CD1-CD1 4.44Å; L371-F470 HydrophobicContact CD1-CE1 3.5Å; L371-F470 HydrophobicContact CD1-CZ 3.64Å; A467-F470 WeakPolarHBondContact O-CB 3.26Å; A467-F470 PolarHBondContact O-N 3.11Å; L468-F470 PolarHBondContact O-N 3.47Å; F470-E472 VanDerWaalsContact C-N 3.31Å; F470-E472 PolarHBondContact O-N 2.88Å
471	F	97.4	Very high	97	Very high	4 Å²	4	39 Å²	39	2%	0.018	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.3	-177.9	-62	-90.4	0	0	0	113.5	L357 A360 L364 P421 F424 A427 A467 L468 A469	L357-F471 HydrophobicContact CD2-CE2 4.3Å; A360-F471 HydrophobicContact CB-CZ 4.01Å; L364-F471 HydrophobicContact CD1-CE1 3.69Å; L364-F471 HydrophobicContact CD1-CZ 4.38Å; P421-F471 HydrophobicContact CG-CZ 4.37Å; P421-F471 WeakPolarHBondContact O-CE1 3.42Å; F424-F471 HydrophobicContact CB-CB 4.33Å; F424-F471 WeakPolarHBondContact CB-O 3.5Å; F424-F471 HydrophobicContact CD2-CB 4.28Å; A427-F471 HydrophobicContact CB-CB 4.09Å; A427-F471 HydrophobicContact CB-CD1 4.21Å; A427-F471 HydrophobicContact CB-CD2 3.53Å; A427-F471 HydrophobicContact CB-CE2 3.96Å; A427-F471 HydrophobicContact CB-CG 3.68Å; A427-F471 HydrophobicContact CB-CZ 4.45Å; A467-F471 WeakPolarHBondContact O-CD2 3.44Å; L468-F471 PolarHBondContact O-N 3.37Å; L468-F471 VanDerWaalsContact O-N 3.12Å; A469-F471 VanDerWaalsContact C-N 3.3Å; A469-F471 PolarHBondContact O-N 2.81Å
472	E	96.7	Very high	97	Very high	13 Å²	13	38.6 Å²	38.6	6%	0.061	18%	0.176	C	C	.	.			trans	-88.5	120.1	-174.9	174.5	70.8	-106.8	0	0	111.3	F424 A469 F470 D474 R477 R478 M481	F424-E472 HydrophobicContact CD2-CB 3.87Å; F424-E472 HydrophobicContact CE2-CB 3.9Å; F424-E472 HydrophobicContact CE2-CG 4.44Å; F424-E472 VanDerWaalsContact CE2-OE2 3.31Å; F424-E472 WeakPolarHBondContact CE2-OE2 3.41Å; F424-E472 VanDerWaalsContact CZ-OE2 3.29Å; F424-E472 WeakPolarHBondContact CZ-OE2 3.27Å; A469-E472 PolarHBondContact O-N 3.22Å; F470-E472 VanDerWaalsContact C-N 3.31Å; F470-E472 PolarHBondContact O-N 2.88Å; E472-D474 HydrophobicContact CG-CB 4.49Å; E472-D474 WeakPolarHBondContact CG-O 3.24Å; E472-D474 WeakPolarHBondContact OE1-CB 3.04Å; E472-D474 PolarHBondContact OE1-N 3.39Å; E472-R477 HydrophobicContact CG-CB 3.81Å; E472-R477 IonicContact OE1-CZ 3.85Å; E472-R477 IonicContact OE1-NE 3.29Å; E472-R477 PolarHBondContact OE1-NE 3.09Å; E472-R477 IonicContact OE1-NH2 3.17Å; E472-R477 IonicContact OE2-CZ 2.7Å; E472-R477 IonicContact OE2-NE 2.82Å; E472-R477 PolarHBondContact OE2-NE 3.22Å; E472-R477 IonicContact OE2-NH2 3.63Å; E472-R477 PolarHBondContact OE2-NH2 2.81Å; E472-R478 HydrophobicContact CB-CG 3.67Å; E472-R478 HydrophobicContact CG-CG 3.71Å; E472-R478 WeakPolarHBondContact O-CD 3.4Å; E472-R478 WeakPolarHBondContact O-CG 3.49Å; E472-M481 HydrophobicContact CB-CE 4.31Å; E472-M481 HydrophobicContact CG-CE 4.21Å; E472-M481 WeakPolarHBondContact OE2-CE 3.22Å
473	E	92.6	Very high	97	Very high	162 Å²	162	42 Å²	42	76%	0.757	19%	0.191	S	C	*	.			trans	-77.3	-30	179.5	-64.6	176.6	-171.4	0	0	112.5	L475	E473-L475 PolarHBondContact O-N 3.37Å
474	D	94.8	Very high	97	Very high	76 Å²	76	47.5 Å²	47.5	41%	0.406	21%	0.207	S	C	.	.			trans	-76.7	107.7	179.5	-176.2	-58.3	0	0	0	110.8	E472 E476 R477 R478	E472-D474 HydrophobicContact CG-CB 4.49Å; E472-D474 WeakPolarHBondContact CG-O 3.24Å; E472-D474 WeakPolarHBondContact OE1-CB 3.04Å; E472-D474 PolarHBondContact OE1-N 3.39Å; D474-E476 PolarHBondContact O-N 3.37Å; D474-E476 WeakPolarHBondContact OD1-CA 3.42Å; D474-E476 WeakPolarHBondContact OD1-CB 3.21Å; D474-E476 PolarHBondContact OD1-N 3.17Å; D474-R477 HydrophobicContact CB-CB 3.99Å; D474-R477 HydrophobicContact CB-CG 4.01Å; D474-R477 PolarHBondContact O-N 2.68Å; D474-R477 VanDerWaalsContact O-N 3.1Å; D474-R477 PolarHBondContact OD1-N 2.79Å; D474-R478 PolarHBondContact O-N 3Å
475	L	93.4	Very high	97	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.068	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-26.9	-177.9	-56.6	-176.5	0	0	0	113.5	E473 C479 L522 T525 L526	E473-L475 PolarHBondContact O-N 3.37Å; L475-C479 WeakPolarHBondContact O-CB 3.4Å; L475-C479 PolarHBondContact O-N 2.98Å; L475-L522 HydrophobicContact CB-CD2 4.4Å; L475-L522 HydrophobicContact CD2-CD2 3.84Å; L475-T525 HydrophobicContact CD1-CG2 3.69Å; L475-L526 HydrophobicContact CB-CD1 3.97Å; L475-L526 HydrophobicContact CB-CD2 3.89Å; L475-L526 HydrophobicContact CB-CG 3.77Å; L475-L526 HydrophobicContact CD1-CD2 4.02Å; L475-L526 HydrophobicContact CD1-CG 3.93Å; L475-L526 HydrophobicContact CG-CD2 4.45Å; L475-L526 HydrophobicContact CG-CG 4.49Å
476	E	93.4	Very high	97	Very high	90 Å²	90	47.1 Å²	47.1	42%	0.421	21%	0.206	S	C	.	.	H	α-helix	trans	-77.2	-38	176.5	179.9	152.2	-113.8	0	0	111.6	D474 C479 K480 K523 L526	D474-E476 PolarHBondContact O-N 3.37Å; D474-E476 WeakPolarHBondContact OD1-CA 3.42Å; D474-E476 WeakPolarHBondContact OD1-CB 3.21Å; D474-E476 PolarHBondContact OD1-N 3.17Å; E476-C479 PolarHBondContact O-N 2.97Å; E476-K480 HydrophobicContact CG-CD 4.45Å; E476-K480 WeakPolarHBondContact O-CG 3.4Å; E476-K480 PolarHBondContact O-N 2.93Å; E476-K523 IonicContact OE1-NZ 2.64Å; E476-K523 PolarHBondContact OE1-NZ 3.27Å; E476-L526 HydrophobicContact CB-CD1 4.48Å
477	R	96.6	Very high	97	Very high	109 Å²	109	47 Å²	47	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-64.6	-43.4	170.4	-69.8	176.3	52.1	173.8	-7.7	111	E472 D474 C479 K480 M481	E472-R477 HydrophobicContact CG-CB 3.81Å; E472-R477 IonicContact OE1-CZ 3.85Å; E472-R477 IonicContact OE1-NE 3.29Å; E472-R477 PolarHBondContact OE1-NE 3.09Å; E472-R477 IonicContact OE1-NH2 3.17Å; E472-R477 IonicContact OE2-CZ 2.7Å; E472-R477 IonicContact OE2-NE 2.82Å; E472-R477 PolarHBondContact OE2-NE 3.22Å; E472-R477 IonicContact OE2-NH2 3.63Å; E472-R477 PolarHBondContact OE2-NH2 2.81Å; D474-R477 HydrophobicContact CB-CB 3.99Å; D474-R477 HydrophobicContact CB-CG 4.01Å; D474-R477 PolarHBondContact O-N 2.68Å; D474-R477 VanDerWaalsContact O-N 3.1Å; D474-R477 PolarHBondContact OD1-N 2.79Å; R477-C479 VanDerWaalsContact C-N 3.35Å; R477-C479 PolarHBondContact O-N 3.46Å; R477-K480 WeakPolarHBondContact O-CB 3.45Å; R477-K480 PolarHBondContact O-N 3.35Å; R477-K480 VanDerWaalsContact O-N 3.14Å; R477-M481 WeakPolarHBondContact O-CG 3.29Å; R477-M481 PolarHBondContact O-N 3.03Å
478	R	96.6	Very high	96.9	Very high	31 Å²	31	48.8 Å²	48.8	12%	0.117	22%	0.22	C	C	.	.	H	α-helix	trans	-51.3	-54.1	169	-78.7	-179.9	57	178.6	4.1	110.7	E370 A469 E472 D474 K480 M481 H482 L522	E370-R478 IonicContact OE1-CZ 2.88Å; E370-R478 IonicContact OE1-NH1 2.76Å; E370-R478 IonicContact OE1-NH2 2.56Å; E370-R478 PolarHBondContact OE1-NH2 3.3Å; E370-R478 IonicContact OE2-CZ 3.91Å; E370-R478 IonicContact OE2-NH1 2.73Å; E370-R478 PolarHBondContact OE2-NH1 2.96Å; E370-R478 IonicContact OE2-NH2 3.76Å; E370-R478 PolarHBondContact OE2-NH2 3.44Å; A469-R478 HydrophobicContact CB-CG 4.43Å; A469-R478 VanDerWaalsContact O-CD 3.26Å; A469-R478 WeakPolarHBondContact O-CD 3.48Å; A469-R478 VanDerWaalsContact O-CG 3.25Å; A469-R478 WeakPolarHBondContact O-CG 3.34Å; A469-R478 PolarHBondContact O-NE 2.93Å; E472-R478 HydrophobicContact CB-CG 3.67Å; E472-R478 HydrophobicContact CG-CG 3.71Å; E472-R478 WeakPolarHBondContact O-CD 3.4Å; E472-R478 WeakPolarHBondContact O-CG 3.49Å; D474-R478 PolarHBondContact O-N 3Å; R478-K480 VanDerWaalsContact C-N 3.29Å; R478-K480 PolarHBondContact O-N 3.49Å; R478-M481 WeakPolarHBondContact O-CB 3.34Å; R478-M481 PolarHBondContact O-N 3.49Å; R478-H482 PolarHBondContact O-CD2 3.1Å; R478-H482 PolarHBondContact O-N 3.01Å; R478-L522 HydrophobicContact CB-CD1 3.77Å; R478-L522 HydrophobicContact CB-CD2 4.26Å
479	C	96.4	Very high	96.9	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.061	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-37.1	-179.9	-177.5	0	0	0	0	112.9	L475 E476 R477 H482 K483 L522 K523	L475-C479 WeakPolarHBondContact O-CB 3.4Å; L475-C479 PolarHBondContact O-N 2.98Å; E476-C479 PolarHBondContact O-N 2.97Å; R477-C479 VanDerWaalsContact C-N 3.35Å; R477-C479 PolarHBondContact O-N 3.46Å; C479-H482 PolarHBondContact O-N 3.38Å; C479-K483 WeakPolarHBondContact O-CB 3.48Å; C479-K483 PolarHBondContact O-N 3.4Å; C479-L522 HydrophobicContact CB-CD1 4.16Å; C479-K523 VanDerWaalsContact SG-CE 3.58Å
480	K	97.6	Very high	96.9	Very high	120 Å²	120	51 Å²	51	52%	0.522	23%	0.23	S	C	.	.	H	α-helix	trans	-66.9	-35.2	174.7	-73	167.1	-177.2	165.5	0	112.3	E476 R477 R478 K483 R484	E476-K480 HydrophobicContact CG-CD 4.45Å; E476-K480 WeakPolarHBondContact O-CG 3.4Å; E476-K480 PolarHBondContact O-N 2.93Å; R477-K480 WeakPolarHBondContact O-CB 3.45Å; R477-K480 PolarHBondContact O-N 3.35Å; R477-K480 VanDerWaalsContact O-N 3.14Å; R478-K480 VanDerWaalsContact C-N 3.29Å; R478-K480 PolarHBondContact O-N 3.49Å; K480-K483 PolarHBondContact O-N 3.46Å; K480-R484 WeakPolarHBondContact O-CG 3.37Å; K480-R484 PolarHBondContact O-N 2.97Å
481	M	98.3	Very high	96.8	Very high	22 Å²	22	53.4 Å²	53.4	11%	0.108	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-47.6	173.6	-65.8	173.4	-171.1	0	0	111	F424 F465 L468 A469 E472 R477 R478 K483 R484 R485	F424-M481 HydrophobicContact CE2-CE 3.68Å; F424-M481 HydrophobicContact CZ-CE 3.84Å; F465-M481 HydrophobicContact CD1-CB 4.23Å; F465-M481 HydrophobicContact CD1-CG 4.36Å; L468-M481 HydrophobicContact CD2-CE 4.15Å; L468-M481 HydrophobicContact CD2-SD 4.25Å; L468-M481 HydrophobicContact CG-CE 4.33Å; L468-M481 HydrophobicContact CG-SD 4.19Å; A469-M481 HydrophobicContact CB-CB 4.3Å; A469-M481 HydrophobicContact CB-SD 3.96Å; E472-M481 HydrophobicContact CB-CE 4.31Å; E472-M481 HydrophobicContact CG-CE 4.21Å; E472-M481 WeakPolarHBondContact OE2-CE 3.22Å; R477-M481 WeakPolarHBondContact O-CG 3.29Å; R477-M481 PolarHBondContact O-N 3.03Å; R478-M481 WeakPolarHBondContact O-CB 3.34Å; R478-M481 PolarHBondContact O-N 3.49Å; M481-K483 VanDerWaalsContact C-N 3.28Å; M481-K483 PolarHBondContact O-N 2.97Å; M481-R484 WeakPolarHBondContact O-CB 3.44Å; M481-R484 PolarHBondContact O-N 3.26Å; M481-R484 VanDerWaalsContact O-N 3.12Å; M481-R485 PolarHBondContact O-N 3.07Å; M481-R485 VanDerWaalsContact O-N 3.17Å
482	H	98.4	Very high	96.7	Very high	9 Å²	9	54.4 Å²	54.4	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-35.4	173.8	-63.9	-75.4	0	0	0	112.2	R478 C479 R484 R485 V486 T515 E518 M519	R478-H482 PolarHBondContact O-CD2 3.1Å; R478-H482 PolarHBondContact O-N 3.01Å; C479-H482 PolarHBondContact O-N 3.38Å; H482-R484 VanDerWaalsContact C-N 3.33Å; H482-R484 PolarHBondContact O-N 3.14Å; H482-R485 PolarHBondContact ND1-NH1 2.73Å; H482-R485 WeakPolarHBondContact O-CB 3.37Å; H482-R485 PolarHBondContact O-N 3.25Å; H482-R485 VanDerWaalsContact O-N 3.16Å; H482-V486 PolarHBondContact O-N 3.48Å; H482-T515 HydrophobicContact CB-CG2 3.8Å; H482-T515 WeakPolarHBondContact O-CG2 3.31Å; H482-E518 IonicContact CE1-OE2 3.69Å; H482-E518 PolarHBondContact CE1-OE2 3.09Å; H482-E518 IonicContact ND1-OE2 3.83Å; H482-E518 PolarHBondContact ND1-OE2 2.94Å; H482-E518 IonicContact NE2-OE2 2.97Å; H482-M519 HydrophobicContact CB-CG 3.39Å; H482-M519 HydrophobicContact CB-SD 3.89Å
483	K	98.1	Very high	96.7	Very high	73 Å²	73	53.8 Å²	53.8	32%	0.317	25%	0.25	S	C	.	.	H	α-helix	trans	-61.5	-40.1	173.9	-175.7	67.5	-164.2	77.6	0	112.2	C479 K480 M481 R485 V486 D487 M519	C479-K483 WeakPolarHBondContact O-CB 3.48Å; C479-K483 PolarHBondContact O-N 3.4Å; K480-K483 PolarHBondContact O-N 3.46Å; M481-K483 VanDerWaalsContact C-N 3.28Å; M481-K483 PolarHBondContact O-N 2.97Å; K483-R485 VanDerWaalsContact C-N 3.32Å; K483-R485 PolarHBondContact O-N 3.44Å; K483-V486 WeakPolarHBondContact O-CB 3.49Å; K483-V486 PolarHBondContact O-N 2.92Å; K483-D487 IonicContact NZ-OD1 2.99Å; K483-D487 PolarHBondContact NZ-OD1 2.91Å; K483-D487 IonicContact NZ-OD2 3.49Å; K483-D487 PolarHBondContact NZ-OD2 3.45Å; K483-D487 PolarHBondContact O-N 3.17Å; K483-M519 HydrophobicContact CB-CE 3.81Å; K483-M519 HydrophobicContact CB-SD 4.44Å; K483-M519 HydrophobicContact CD-CE 3.83Å; K483-M519 HydrophobicContact CG-CE 4.38Å
484	R	98.4	Very high	96.7	Very high	142 Å²	142	49.2 Å²	49.2	54%	0.536	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-39.3	174	-70.9	179.7	178.5	-166.3	-1.8	111.9	F465 K480 M481 H482 D487 M488	F465-R484 HydrophobicContact CE2-CB 4.39Å; F465-R484 HydrophobicContact CZ-CB 4.31Å; K480-R484 WeakPolarHBondContact O-CG 3.37Å; K480-R484 PolarHBondContact O-N 2.97Å; M481-R484 WeakPolarHBondContact O-CB 3.44Å; M481-R484 PolarHBondContact O-N 3.26Å; M481-R484 VanDerWaalsContact O-N 3.12Å; H482-R484 VanDerWaalsContact C-N 3.33Å; H482-R484 PolarHBondContact O-N 3.14Å; R484-D487 PolarHBondContact O-N 3.37Å; R484-M488 WeakPolarHBondContact O-CG 3.31Å; R484-M488 PolarHBondContact O-N 2.86Å; R484-M488 VanDerWaalsContact O-N 3.13Å
485	R	98.5	Very high	96.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.8	-49.1	173.2	-62.1	174.6	59.9	-149.7	-7	111	S462 F465 M481 H482 K483 D487 M488 L489 E511 T515 E518	S462-R485 VanDerWaalsContact O-CD 3.26Å; S462-R485 WeakPolarHBondContact O-CD 3.33Å; S462-R485 PolarHBondContact O-NE 2.76Å; S462-R485 VanDerWaalsContact O-NE 3.11Å; S462-R485 PolarHBondContact OG-NE 3.01Å; F465-R485 HydrophobicContact CB-CG 3.63Å; F465-R485 HydrophobicContact CD2-CG 4.48Å; F465-R485 HydrophobicContact CG-CG 4.37Å; M481-R485 PolarHBondContact O-N 3.07Å; M481-R485 VanDerWaalsContact O-N 3.17Å; H482-R485 PolarHBondContact ND1-NH1 2.73Å; H482-R485 WeakPolarHBondContact O-CB 3.37Å; H482-R485 PolarHBondContact O-N 3.25Å; H482-R485 VanDerWaalsContact O-N 3.16Å; K483-R485 VanDerWaalsContact C-N 3.32Å; K483-R485 PolarHBondContact O-N 3.44Å; R485-D487 PolarHBondContact O-N 3.37Å; R485-M488 PolarHBondContact O-N 3.2Å; R485-L489 WeakPolarHBondContact O-CG 3.48Å; R485-L489 PolarHBondContact O-N 3.37Å; R485-E511 IonicContact CZ-OE1 3.62Å; R485-E511 IonicContact NE-OE1 2.85Å; R485-E511 IonicContact NH2-OE1 3.42Å; R485-E511 PolarHBondContact NH2-OE1 2.72Å; R485-T515 HydrophobicContact CB-CG2 4.1Å; R485-T515 VanDerWaalsContact CZ-OG1 3.3Å; R485-T515 PolarHBondContact NH1-OG1 2.91Å; R485-T515 PolarHBondContact NH2-OG1 2.71Å; R485-E518 IonicContact NH1-OE2 2.67Å; R485-E518 PolarHBondContact NH1-OE2 3.38Å; R485-E518 VanDerWaalsContact NH1-OE2 3.14Å
486	V	98.6	Very high	96.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.4	-48.5	175.1	171.2	0	0	0	0	111.7	H482 K483 M488 L489 E490 L512 T515 Y516 M519	H482-V486 PolarHBondContact O-N 3.48Å; K483-V486 WeakPolarHBondContact O-CB 3.49Å; K483-V486 PolarHBondContact O-N 2.92Å; V486-M488 PolarHBondContact O-N 2.92Å; V486-L489 PolarHBondContact O-N 3.27Å; V486-E490 HydrophobicContact CG1-CB 4.23Å; V486-E490 WeakPolarHBondContact O-CB 3.32Å; V486-E490 PolarHBondContact O-N 3.34Å; V486-L512 HydrophobicContact CB-CD2 4.42Å; V486-L512 HydrophobicContact CG1-CD2 4.37Å; V486-L512 HydrophobicContact CG2-CD2 4.29Å; V486-T515 HydrophobicContact CG2-CG2 3.72Å; V486-Y516 HydrophobicContact CG1-CE1 4.19Å; V486-Y516 HydrophobicContact CG1-CE2 3.99Å; V486-Y516 WeakPolarHBondContact CG1-OH 3.45Å; V486-Y516 HydrophobicContact CG2-CD2 4.42Å; V486-Y516 HydrophobicContact CG2-CE1 4.29Å; V486-Y516 HydrophobicContact CG2-CE2 4.09Å; V486-M519 HydrophobicContact CG2-SD 4.14Å
487	D	98.2	Very high	96.5	Very high	90 Å²	90	51.7 Å²	51.7	48%	0.481	25%	0.246	S	C	.	.	H	α-helix	trans	-59.4	-29.7	-179.3	-74	-45.5	0	0	0	113.1	K483 R484 R485 P491	K483-D487 IonicContact NZ-OD1 2.99Å; K483-D487 PolarHBondContact NZ-OD1 2.91Å; K483-D487 IonicContact NZ-OD2 3.49Å; K483-D487 PolarHBondContact NZ-OD2 3.45Å; K483-D487 PolarHBondContact O-N 3.17Å; R484-D487 PolarHBondContact O-N 3.37Å; R485-D487 PolarHBondContact O-N 3.37Å; D487-P491 WeakPolarHBondContact O-CD 3.47Å
488	M	96.8	Very high	96.1	Very high	40 Å²	40	48.6 Å²	48.6	20%	0.197	24%	0.242	C	C	.	.	H	α-helix	trans	-81	-41.9	177.2	-67.7	-174.1	-60.5	0	0	112.8	H461 F465 R484 R485 V486	H461-M488 PolarHBondContact ND1-SD 3.14Å; F465-M488 HydrophobicContact CD2-CE 3.65Å; F465-M488 HydrophobicContact CE2-CE 3.7Å; F465-M488 HydrophobicContact CE2-SD 4.38Å; R484-M488 WeakPolarHBondContact O-CG 3.31Å; R484-M488 PolarHBondContact O-N 2.86Å; R484-M488 VanDerWaalsContact O-N 3.13Å; R485-M488 PolarHBondContact O-N 3.2Å; V486-M488 PolarHBondContact O-N 2.92Å
489	L	98	Very high	95.7	Very high	2 Å²	2	58 Å²	58	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-91	-33.2	-169.7	-61.2	179.6	0	0	0	113.7	L458 S462 R485 V486 I492 C493 L508 E511 L512	L458-L489 HydrophobicContact CB-CD2 4.37Å; S462-L489 WeakPolarHBondContact OG-CD1 3.46Å; R485-L489 WeakPolarHBondContact O-CG 3.48Å; R485-L489 PolarHBondContact O-N 3.37Å; V486-L489 PolarHBondContact O-N 3.27Å; L489-I492 PolarHBondContact O-N 3.02Å; L489-C493 WeakPolarHBondContact O-CB 3.35Å; L489-C493 PolarHBondContact O-N 2.86Å; L489-L508 HydrophobicContact CD2-CD2 3.9Å; L489-E511 VanDerWaalsContact CD1-CD 3.43Å; L489-E511 HydrophobicContact CD1-CG 4.05Å; L489-E511 WeakPolarHBondContact CD1-OE1 3.29Å; L489-L512 HydrophobicContact CB-CD2 3.95Å; L489-L512 HydrophobicContact CB-CG 4.22Å
490	E	97.5	Very high	95.4	Very high	52 Å²	52	66.5 Å²	66.5	24%	0.243	31%	0.309	C	S	.	.	H	α-helix	trans	-61.9	-46.3	-174.7	173.2	164.5	-113.1	0	0	113.5	V486 I492 C493 N494 L512 Y516 Y554	V486-E490 HydrophobicContact CG1-CB 4.23Å; V486-E490 WeakPolarHBondContact O-CB 3.32Å; V486-E490 PolarHBondContact O-N 3.34Å; E490-I492 VanDerWaalsContact C-N 3.32Å; E490-I492 PolarHBondContact O-N 3.31Å; E490-C493 PolarHBondContact O-N 3.48Å; E490-N494 WeakPolarHBondContact CG-ND2 3.46Å; E490-N494 PolarHBondContact O-N 3.27Å; E490-N494 PolarHBondContact O-ND2 3.16Å; E490-L512 HydrophobicContact CB-CD1 4.38Å; E490-L512 HydrophobicContact CB-CD2 4.07Å; E490-Y516 PolarHBondContact OE1-OH 3.22Å; E490-Y516 PolarHBondContact OE2-OH 3.44Å; E490-Y554 VanDerWaalsContact CG-OH 3.29Å; E490-Y554 WeakPolarHBondContact CG-OH 3.4Å; E490-Y554 PolarHBondContact OE1-OH 2.67Å
491	P	96.7	Very high	95.2	Very high	64 Å²	64	64 Å²	64	42%	0.416	30%	0.297	S	S	.	.	H	α-helix	trans	-58	-45.8	177.6	-24.5	35.2	0	0	0	111.9	D487 N494 D495	D487-P491 WeakPolarHBondContact O-CD 3.47Å; P491-N494 PolarHBondContact O-N 2.9Å; P491-D495 WeakPolarHBondContact O-CB 3.49Å; P491-D495 PolarHBondContact O-N 3.13Å
492	I	95.3	Very high	94.9	Very high	26 Å²	26	65.8 Å²	65.8	13%	0.133	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-46.3	-179.3	-60.6	-164.1	0	0	0	111.3	M447 I455 L458 L489 E490 N494 D495 L496 L508	M447-I492 HydrophobicContact SD-CD1 4.05Å; I455-I492 HydrophobicContact CD1-CG2 3.91Å; I455-I492 HydrophobicContact CG1-CG2 3.93Å; L458-I492 HydrophobicContact CD1-CD1 3.13Å; L458-I492 HydrophobicContact CD1-CG1 4.43Å; L489-I492 PolarHBondContact O-N 3.02Å; E490-I492 VanDerWaalsContact C-N 3.32Å; E490-I492 PolarHBondContact O-N 3.31Å; I492-N494 PolarHBondContact O-N 3.4Å; I492-N494 VanDerWaalsContact O-N 3.16Å; I492-D495 PolarHBondContact O-N 3.24Å; I492-L496 WeakPolarHBondContact O-CB 3.34Å; I492-L496 PolarHBondContact O-N 3.46Å; I492-L508 HydrophobicContact CG2-CD1 4.02Å
493	C	96	Very high	94.7	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-57.1	-33.8	178.9	-175.2	0	0	0	0	112.6	L489 E490 R505 L508 L512	L489-C493 WeakPolarHBondContact O-CB 3.35Å; L489-C493 PolarHBondContact O-N 2.86Å; E490-C493 PolarHBondContact O-N 3.48Å; C493-R505 PolarHBondContact O-NE 3.23Å; C493-L508 HydrophobicContact CB-CB 3.96Å; C493-L508 HydrophobicContact CB-CD1 4.2Å; C493-L512 HydrophobicContact CB-CD1 3.66Å
494	N	93.7	Very high	94.5	Very high	65 Å²	65	68.1 Å²	68.1	35%	0.348	32%	0.322	S	S	.	.	H	α-helix	trans	-79.8	-38.8	-179.6	-69.5	-38.2	0	0	0	112.6	E490 P491 I492	E490-N494 WeakPolarHBondContact CG-ND2 3.46Å; E490-N494 PolarHBondContact O-N 3.27Å; E490-N494 PolarHBondContact O-ND2 3.16Å; P491-N494 PolarHBondContact O-N 2.9Å; I492-N494 PolarHBondContact O-N 3.4Å; I492-N494 VanDerWaalsContact O-N 3.16Å
495	D	93	Very high	94.4	Very high	139 Å²	139	63.6 Å²	63.6	74%	0.743	31%	0.305	S	S	*	.	H	α-helix	trans	-88	-18.7	-174.2	-64.6	-14.9	0	0	0	113.2	P491 I492	P491-D495 WeakPolarHBondContact O-CB 3.49Å; P491-D495 PolarHBondContact O-N 3.13Å; I492-D495 PolarHBondContact O-N 3.24Å
496	L	93.3	Very high	94.3	Very high	15 Å²	15	65.5 Å²	65.5	8%	0.079	31%	0.312	C	S	.	.	S	Bend	trans	-67.8	132.2	-175.7	-168	67.1	0	0	0	113	V451 I455 I492 S498 Y501 I504 R505 L508	V451-L496 HydrophobicContact CG1-CD1 3.8Å; I455-L496 HydrophobicContact CD1-CD1 3.83Å; I455-L496 HydrophobicContact CD1-CD2 3.88Å; I492-L496 WeakPolarHBondContact O-CB 3.34Å; I492-L496 PolarHBondContact O-N 3.46Å; L496-S498 PolarHBondContact O-N 3.05Å; L496-Y501 HydrophobicContact CD1-CD2 3.58Å; L496-Y501 HydrophobicContact CD1-CE2 4.21Å; L496-Y501 HydrophobicContact CD1-CG 3.85Å; L496-Y501 HydrophobicContact CD2-CG 4.26Å; L496-Y501 HydrophobicContact CG-CD2 4.02Å; L496-Y501 HydrophobicContact CG-CG 4.07Å; L496-I504 HydrophobicContact CD2-CB 4.27Å; L496-I504 HydrophobicContact CD2-CG2 3.98Å; L496-R505 HydrophobicContact CD2-CB 4.32Å; L496-L508 HydrophobicContact CD2-CD1 4.49Å
497	N	89.8	Confident	94.2	Very high	77 Å²	77	70.6 Å²	70.6	41%	0.412	34%	0.336	S	S	.	.			trans	-65.9	117.8	-179.2	-170.6	-51.2	0	0	0	111.6	R499 Y500 Y501	N497-R499 VanDerWaalsContact C-N 3.28Å; N497-R499 PolarHBondContact O-N 3.48Å; N497-R499 WeakPolarHBondContact OD1-CB 3.36Å; N497-R499 PolarHBondContact OD1-N 3.23Å; N497-Y500 HydrophobicContact CB-CD2 4.37Å; N497-Y500 PolarHBondContact O-N 3.33Å; N497-Y501 HydrophobicContact CB-CD2 4.45Å; N497-Y501 PolarHBondContact O-N 3.05Å; N497-Y501 VanDerWaalsContact O-N 3.08Å
498	S	88.1	Confident	94.1	Very high	45 Å²	45	66.4 Å²	66.4	32%	0.315	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.2	-174.7	-53.3	0	0	0	0	114.9	L496 L502 R505	L496-S498 PolarHBondContact O-N 3.05Å; S498-L502 WeakPolarHBondContact O-CB 3.42Å; S498-R505 WeakPolarHBondContact OG-CD 3.31Å; S498-R505 VanDerWaalsContact OG-CZ 3.27Å; S498-R505 PolarHBondContact OG-NE 3.37Å; S498-R505 PolarHBondContact OG-NH1 3.33Å
499	R	88.3	Confident	94.2	Very high	229 Å²	229	64.6 Å²	64.6	86%	0.864	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-40.8	176.8	-64.3	-176.4	179.1	179.9	-0.5	111.7	N497	N497-R499 VanDerWaalsContact C-N 3.28Å; N497-R499 PolarHBondContact O-N 3.48Å; N497-R499 WeakPolarHBondContact OD1-CB 3.36Å; N497-R499 PolarHBondContact OD1-N 3.23Å
500	Y	90.5	Very high	94.1	Very high	186 Å²	186	66.3 Å²	66.3	73%	0.729	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-30.5	-175.6	-62.9	-67.5	0	0	0	113.1	N497	N497-Y500 HydrophobicContact CB-CD2 4.37Å; N497-Y500 PolarHBondContact O-N 3.33Å
501	Y	93.6	Very high	94.1	Very high	67 Å²	67	65 Å²	65	26%	0.263	31%	0.306	S	S	.	.	S	Bend	trans	-123.9	33.1	-171.1	-55.9	-76	0	0	0	113	V451 L496 N497 L503 I504 R505	V451-Y501 HydrophobicContact CB-CE1 4.19Å; V451-Y501 HydrophobicContact CG1-CD1 4.34Å; V451-Y501 HydrophobicContact CG1-CD2 4.43Å; V451-Y501 HydrophobicContact CG1-CE1 3.81Å; V451-Y501 HydrophobicContact CG1-CE2 3.93Å; L496-Y501 HydrophobicContact CD1-CD2 3.58Å; L496-Y501 HydrophobicContact CD1-CE2 4.21Å; L496-Y501 HydrophobicContact CD1-CG 3.85Å; L496-Y501 HydrophobicContact CD2-CG 4.26Å; L496-Y501 HydrophobicContact CG-CD2 4.02Å; L496-Y501 HydrophobicContact CG-CG 4.07Å; N497-Y501 HydrophobicContact CB-CD2 4.45Å; N497-Y501 PolarHBondContact O-N 3.05Å; N497-Y501 VanDerWaalsContact O-N 3.08Å; Y501-L503 VanDerWaalsContact C-N 3.3Å; Y501-L503 PolarHBondContact O-N 3.45Å; Y501-I504 HydrophobicContact CD1-CD1 4.01Å; Y501-I504 PolarHBondContact O-N 3.5Å; Y501-R505 WeakPolarHBondContact O-CB 3.15Å; Y501-R505 PolarHBondContact O-N 3.28Å
502	L	92.9	Very high	94.2	Very high	60 Å²	60	61.9 Å²	61.9	31%	0.314	29%	0.286	S	S	.	.	H	α-helix	trans	-54.4	-44.6	-175.4	-176.1	57	0	0	0	112.8	S498 R505 R506	S498-L502 WeakPolarHBondContact O-CB 3.42Å; L502-R505 PolarHBondContact O-N 3.46Å; L502-R506 WeakPolarHBondContact O-CG 3.4Å; L502-R506 PolarHBondContact O-N 3Å
503	L	93.3	Very high	94.4	Very high	104 Å²	104	60.7 Å²	60.7	55%	0.545	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-47.5	-178.5	-62.7	-180	0	0	0	111.8	Y501 R505 R506 Q507	Y501-L503 VanDerWaalsContact C-N 3.3Å; Y501-L503 PolarHBondContact O-N 3.45Å; L503-R505 VanDerWaalsContact C-N 3.3Å; L503-R505 PolarHBondContact O-N 2.97Å; L503-R506 WeakPolarHBondContact O-CB 3.44Å; L503-R506 PolarHBondContact O-N 3.34Å; L503-Q507 WeakPolarHBondContact O-CG 3.3Å; L503-Q507 PolarHBondContact O-N 3.19Å
504	I	95.1	Very high	94.4	Very high	27 Å²	27	63 Å²	63	14%	0.138	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-44.1	175.4	-60.7	179.7	0	0	0	110	T452 I455 L496 Y501 R506 Q507 L508	T452-I504 HydrophobicContact CG2-CD1 4.06Å; I455-I504 HydrophobicContact CB-CG2 4.34Å; I455-I504 HydrophobicContact CD1-CG2 3.96Å; I455-I504 HydrophobicContact CG2-CG2 3.55Å; L496-I504 HydrophobicContact CD2-CB 4.27Å; L496-I504 HydrophobicContact CD2-CG2 3.98Å; Y501-I504 HydrophobicContact CD1-CD1 4.01Å; Y501-I504 PolarHBondContact O-N 3.5Å; I504-R506 VanDerWaalsContact C-N 3.32Å; I504-R506 PolarHBondContact O-N 3.49Å; I504-Q507 WeakPolarHBondContact O-CB 3.36Å; I504-Q507 PolarHBondContact O-N 3.29Å; I504-L508 HydrophobicContact CG2-CD1 4.25Å; I504-L508 HydrophobicContact CG2-CG 4.41Å; I504-L508 WeakPolarHBondContact O-CG 3.4Å; I504-L508 PolarHBondContact O-N 2.93Å
505	R	96.1	Very high	94.6	Very high	48 Å²	48	59.9 Å²	59.9	18%	0.181	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-40	178.6	-149.9	-174.8	173.1	-135.8	-3.5	111.8	C493 L496 S498 Y501 L502 L503 L508 M509	C493-R505 PolarHBondContact O-NE 3.23Å; L496-R505 HydrophobicContact CD2-CB 4.32Å; S498-R505 WeakPolarHBondContact OG-CD 3.31Å; S498-R505 VanDerWaalsContact OG-CZ 3.27Å; S498-R505 PolarHBondContact OG-NE 3.37Å; S498-R505 PolarHBondContact OG-NH1 3.33Å; Y501-R505 WeakPolarHBondContact O-CB 3.15Å; Y501-R505 PolarHBondContact O-N 3.28Å; L502-R505 PolarHBondContact O-N 3.46Å; L503-R505 VanDerWaalsContact C-N 3.3Å; L503-R505 PolarHBondContact O-N 2.97Å; R505-L508 PolarHBondContact O-N 3.46Å; R505-M509 HydrophobicContact CB-CE 4.32Å; R505-M509 HydrophobicContact CG-CE 3.66Å; R505-M509 WeakPolarHBondContact O-CG 3.4Å; R505-M509 PolarHBondContact O-N 2.94Å
506	R	95.6	Very high	94.9	Very high	40 Å²	40	53.9 Å²	53.9	15%	0.151	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-44.9	173.7	-79.4	174.3	-179.5	168.4	1.2	111.8	L502 L503 I504 M509 F510 F558 S561	L502-R506 WeakPolarHBondContact O-CG 3.4Å; L502-R506 PolarHBondContact O-N 3Å; L503-R506 WeakPolarHBondContact O-CB 3.44Å; L503-R506 PolarHBondContact O-N 3.34Å; I504-R506 VanDerWaalsContact C-N 3.32Å; I504-R506 PolarHBondContact O-N 3.49Å; R506-M509 PolarHBondContact O-N 3.11Å; R506-F510 PolarHBondContact O-N 2.96Å; R506-F558 HydrophobicContact CB-CD2 3.87Å; R506-F558 HydrophobicContact CB-CE2 3.93Å; R506-F558 HydrophobicContact CG-CD2 3.99Å; R506-F558 HydrophobicContact CG-CE2 4.11Å; R506-S561 VanDerWaalsContact CG-OG 3.27Å; R506-S561 WeakPolarHBondContact CG-OG 3.21Å; R506-S561 PolarHBondContact NE-OG 3.21Å; R506-S561 PolarHBondContact NH2-O 3.49Å
507	Q	96.1	Very high	95	Very high	107 Å²	107	54 Å²	54	50%	0.5	24%	0.242	S	C	.	.	H	α-helix	trans	-60.9	-46.8	176	-66.5	170.2	5.1	0	0	111.4	L503 I504 M509 F510 E511	L503-Q507 WeakPolarHBondContact O-CG 3.3Å; L503-Q507 PolarHBondContact O-N 3.19Å; I504-Q507 WeakPolarHBondContact O-CB 3.36Å; I504-Q507 PolarHBondContact O-N 3.29Å; Q507-M509 PolarHBondContact O-N 3.48Å; Q507-F510 PolarHBondContact O-N 2.89Å; Q507-E511 WeakPolarHBondContact O-CB 3.4Å; Q507-E511 PolarHBondContact O-N 3.44Å
508	L	97.6	Very high	95.3	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-42	177.6	-66.9	178	0	0	0	112.4	I455 Q459 L489 I492 C493 L496 I504 R505 F510 E511 L512	I455-L508 HydrophobicContact CG2-CD1 4.27Å; I455-L508 HydrophobicContact CG2-CD2 4.28Å; Q459-L508 HydrophobicContact CG-CD2 4Å; L489-L508 HydrophobicContact CD2-CD2 3.9Å; I492-L508 HydrophobicContact CG2-CD1 4.02Å; C493-L508 HydrophobicContact CB-CB 3.96Å; C493-L508 HydrophobicContact CB-CD1 4.2Å; L496-L508 HydrophobicContact CD2-CD1 4.49Å; I504-L508 HydrophobicContact CG2-CD1 4.25Å; I504-L508 HydrophobicContact CG2-CG 4.41Å; I504-L508 WeakPolarHBondContact O-CG 3.4Å; I504-L508 PolarHBondContact O-N 2.93Å; R505-L508 PolarHBondContact O-N 3.46Å; L508-F510 VanDerWaalsContact C-N 3.34Å; L508-F510 PolarHBondContact O-N 3.49Å; L508-E511 PolarHBondContact O-N 3.05Å; L508-L512 VanDerWaalsContact O-CB 3.31Å; L508-L512 WeakPolarHBondContact O-CB 3.44Å; L508-L512 VanDerWaalsContact O-CG 3.28Å; L508-L512 WeakPolarHBondContact O-CG 3.15Å; L508-L512 PolarHBondContact O-N 2.82Å
509	M	97.6	Very high	95.7	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-46.8	175	-70.9	173.2	-161.7	0	0	111	R505 R506 Q507 L512 A513 Y554 M557 F558	R505-M509 HydrophobicContact CB-CE 4.32Å; R505-M509 HydrophobicContact CG-CE 3.66Å; R505-M509 WeakPolarHBondContact O-CG 3.4Å; R505-M509 PolarHBondContact O-N 2.94Å; R506-M509 PolarHBondContact O-N 3.11Å; Q507-M509 PolarHBondContact O-N 3.48Å; M509-L512 PolarHBondContact O-N 2.96Å; M509-A513 WeakPolarHBondContact O-CB 3.36Å; M509-A513 PolarHBondContact O-N 3.38Å; M509-Y554 HydrophobicContact CG-CD1 4.47Å; M509-Y554 WeakPolarHBondContact O-CB 3.45Å; M509-M557 HydrophobicContact CE-CB 4.49Å; M509-M557 HydrophobicContact CE-CE 4.18Å; M509-M557 HydrophobicContact CG-CB 4.35Å; M509-M557 HydrophobicContact CG-CE 4.44Å; M509-M557 VanDerWaalsContact SD-C 3.52Å; M509-M557 HydrophobicContact SD-CB 3.75Å; M509-F558 HydrophobicContact CB-CB 4.1Å; M509-F558 HydrophobicContact SD-CB 4.38Å
510	F	96.9	Very high	96	Very high	38 Å²	38	39.8 Å²	39.8	17%	0.167	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-45.9	180	-157.9	-82.8	0	0	0	111.4	R506 Q507 L508 L512 A513 E514 F555 F558 P580 V583 A584	R506-F510 PolarHBondContact O-N 2.96Å; Q507-F510 PolarHBondContact O-N 2.89Å; L508-F510 VanDerWaalsContact C-N 3.34Å; L508-F510 PolarHBondContact O-N 3.49Å; F510-L512 PolarHBondContact O-N 3.49Å; F510-A513 WeakPolarHBondContact O-CB 3.42Å; F510-A513 PolarHBondContact O-N 2.91Å; F510-E514 HydrophobicContact CD1-CG 4.06Å; F510-E514 HydrophobicContact CE1-CG 3.95Å; F510-E514 WeakPolarHBondContact CE1-OE1 3.46Å; F510-E514 PolarHBondContact O-N 3.26Å; F510-F555 HydrophobicContact CD2-CD1 4.33Å; F510-F555 HydrophobicContact CD2-CE1 4.08Å; F510-F555 HydrophobicContact CE1-CE1 4.35Å; F510-F555 HydrophobicContact CE2-CD1 4.27Å; F510-F555 AromaticContact CE2-CE1 3.84Å; F510-F555 HydrophobicContact CE2-CE1 3.84Å; F510-F555 HydrophobicContact CG-CE1 4.43Å; F510-F555 AromaticContact CZ-CE1 3.99Å; F510-F555 HydrophobicContact CZ-CE1 3.99Å; F510-F558 HydrophobicContact CD2-CD1 4.27Å; F510-F558 HydrophobicContact CD2-CE1 4.34Å; F510-F558 HydrophobicContact CD2-CG 4.41Å; F510-P580 HydrophobicContact CD2-CB 4.38Å; F510-P580 HydrophobicContact CE2-CB 3.98Å; F510-P580 WeakPolarHBondContact CE2-O 3.28Å; F510-V583 HydrophobicContact CZ-CG1 4.25Å; F510-A584 HydrophobicContact CE2-CB 4.28Å
511	E	97.7	Very high	96.1	Very high	24 Å²	24	33.4 Å²	33.4	11%	0.112	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-42.2	178.5	-171.7	-179.6	169.8	0	0	112.4	S462 R485 L489 Q507 L508 A513 E514 T515	S462-E511 VanDerWaalsContact CB-OE1 3.29Å; S462-E511 WeakPolarHBondContact CB-OE1 3.23Å; S462-E511 PolarHBondContact OG-OE1 3.43Å; R485-E511 IonicContact CZ-OE1 3.62Å; R485-E511 IonicContact NE-OE1 2.85Å; R485-E511 IonicContact NH2-OE1 3.42Å; R485-E511 PolarHBondContact NH2-OE1 2.72Å; L489-E511 VanDerWaalsContact CD1-CD 3.43Å; L489-E511 HydrophobicContact CD1-CG 4.05Å; L489-E511 WeakPolarHBondContact CD1-OE1 3.29Å; Q507-E511 WeakPolarHBondContact O-CB 3.4Å; Q507-E511 PolarHBondContact O-N 3.44Å; L508-E511 PolarHBondContact O-N 3.05Å; E511-A513 VanDerWaalsContact C-N 3.33Å; E511-E514 PolarHBondContact O-N 3.19Å; E511-T515 WeakPolarHBondContact O-CB 3.46Å; E511-T515 PolarHBondContact O-N 3.06Å; E511-T515 PolarHBondContact O-OG1 3.06Å
512	L	98.5	Very high	96.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-44.6	174.1	-78	166.2	0	0	0	110.8	V486 L489 E490 C493 L508 M509 F510 E514 T515 Y516 Y554	V486-L512 HydrophobicContact CB-CD2 4.42Å; V486-L512 HydrophobicContact CG1-CD2 4.37Å; V486-L512 HydrophobicContact CG2-CD2 4.29Å; L489-L512 HydrophobicContact CB-CD2 3.95Å; L489-L512 HydrophobicContact CB-CG 4.22Å; E490-L512 HydrophobicContact CB-CD1 4.38Å; E490-L512 HydrophobicContact CB-CD2 4.07Å; C493-L512 HydrophobicContact CB-CD1 3.66Å; L508-L512 VanDerWaalsContact O-CB 3.31Å; L508-L512 WeakPolarHBondContact O-CB 3.44Å; L508-L512 VanDerWaalsContact O-CG 3.28Å; L508-L512 WeakPolarHBondContact O-CG 3.15Å; L508-L512 PolarHBondContact O-N 2.82Å; M509-L512 PolarHBondContact O-N 2.96Å; F510-L512 PolarHBondContact O-N 3.49Å; L512-E514 PolarHBondContact O-N 3.08Å; L512-T515 PolarHBondContact O-N 2.84Å; L512-Y516 HydrophobicContact CD2-CE2 4.45Å; L512-Y516 WeakPolarHBondContact O-CD2 3.44Å; L512-Y516 PolarHBondContact O-N 2.7Å; L512-Y554 HydrophobicContact CB-CD1 4.13Å; L512-Y554 HydrophobicContact CB-CD2 4Å; L512-Y554 HydrophobicContact CB-CE1 4.46Å; L512-Y554 HydrophobicContact CB-CE2 4.35Å; L512-Y554 HydrophobicContact CB-CG 3.91Å; L512-Y554 HydrophobicContact CD1-CD1 4.04Å; L512-Y554 HydrophobicContact CD1-CE1 3.68Å; L512-Y554 HydrophobicContact CD1-CE2 4.44Å
513	A	98.2	Very high	95.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-45.4	179.3	0	0	0	0	0	112.2	M509 F510 E511 N517 S551 F555	M509-A513 WeakPolarHBondContact O-CB 3.36Å; M509-A513 PolarHBondContact O-N 3.38Å; F510-A513 WeakPolarHBondContact O-CB 3.42Å; F510-A513 PolarHBondContact O-N 2.91Å; E511-A513 VanDerWaalsContact C-N 3.33Å; A513-N517 PolarHBondContact O-N 3.03Å; A513-S551 WeakPolarHBondContact O-CB 3.45Å; A513-S551 PolarHBondContact O-OG 2.64Å; A513-F555 HydrophobicContact CB-CB 4.37Å; A513-F555 HydrophobicContact CB-CD1 3.59Å; A513-F555 HydrophobicContact CB-CD2 3.58Å; A513-F555 HydrophobicContact CB-CE1 3.6Å; A513-F555 HydrophobicContact CB-CE2 3.59Å; A513-F555 HydrophobicContact CB-CG 3.56Å; A513-F555 HydrophobicContact CB-CZ 3.59Å
514	E	96.9	Very high	95.6	Very high	49 Å²	49	26.4 Å²	26.4	23%	0.229	12%	0.122	C	C	.	.	H	α-helix	trans	-61.8	-45.4	173.6	-69.7	-159.4	146.7	0	0	111.8	R466 F510 E511 L512 Y516 N517 E518 F555	R466-E514 IonicContact CZ-OE2 2.88Å; R466-E514 IonicContact NH1-OE2 3.19Å; R466-E514 PolarHBondContact NH1-OE2 3.02Å; R466-E514 IonicContact NH2-OE2 3.14Å; R466-E514 PolarHBondContact NH2-OE2 3.19Å; R466-E514 VanDerWaalsContact NH2-OE2 3.11Å; F510-E514 HydrophobicContact CD1-CG 4.06Å; F510-E514 HydrophobicContact CE1-CG 3.95Å; F510-E514 WeakPolarHBondContact CE1-OE1 3.46Å; F510-E514 PolarHBondContact O-N 3.26Å; E511-E514 PolarHBondContact O-N 3.19Å; L512-E514 PolarHBondContact O-N 3.08Å; E514-Y516 PolarHBondContact O-N 3.18Å; E514-N517 CarbonylContact O-C 3.52Å; E514-N517 WeakPolarHBondContact O-CA 3.37Å; E514-N517 WeakPolarHBondContact O-CB 3.42Å; E514-N517 PolarHBondContact O-N 2.98Å; E514-E518 WeakPolarHBondContact O-CG 3.33Å; E514-E518 PolarHBondContact O-N 3.38Å; E514-F555 HydrophobicContact CG-CZ 4.37Å
515	T	98.1	Very high	95.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-42.2	-177.8	-56.2	0	0	0	0	111.5	H482 R485 V486 E511 L512 N517 E518 M519	H482-T515 HydrophobicContact CB-CG2 3.8Å; H482-T515 WeakPolarHBondContact O-CG2 3.31Å; R485-T515 HydrophobicContact CB-CG2 4.1Å; R485-T515 VanDerWaalsContact CZ-OG1 3.3Å; R485-T515 PolarHBondContact NH1-OG1 2.91Å; R485-T515 PolarHBondContact NH2-OG1 2.71Å; V486-T515 HydrophobicContact CG2-CG2 3.72Å; E511-T515 WeakPolarHBondContact O-CB 3.46Å; E511-T515 PolarHBondContact O-N 3.06Å; E511-T515 PolarHBondContact O-OG1 3.06Å; L512-T515 PolarHBondContact O-N 2.84Å; T515-N517 VanDerWaalsContact C-N 3.34Å; T515-E518 PolarHBondContact O-N 2.92Å; T515-M519 VanDerWaalsContact O-CG 3.3Å; T515-M519 WeakPolarHBondContact O-CG 3.28Å; T515-M519 PolarHBondContact O-N 3.3Å
516	Y	98.4	Very high	94.8	Very high	13 Å²	13	27.1 Å²	27.1	5%	0.051	13%	0.132	C	C	.	.	H	α-helix	trans	-65.4	-36.5	172.9	-81.4	-69	0	0	0	112.5	V486 E490 L512 E514 M519 M520 L547 A550 Y554	V486-Y516 HydrophobicContact CG1-CE1 4.19Å; V486-Y516 HydrophobicContact CG1-CE2 3.99Å; V486-Y516 WeakPolarHBondContact CG1-OH 3.45Å; V486-Y516 HydrophobicContact CG2-CD2 4.42Å; V486-Y516 HydrophobicContact CG2-CE1 4.29Å; V486-Y516 HydrophobicContact CG2-CE2 4.09Å; E490-Y516 PolarHBondContact OE1-OH 3.22Å; E490-Y516 PolarHBondContact OE2-OH 3.44Å; L512-Y516 HydrophobicContact CD2-CE2 4.45Å; L512-Y516 WeakPolarHBondContact O-CD2 3.44Å; L512-Y516 PolarHBondContact O-N 2.7Å; E514-Y516 PolarHBondContact O-N 3.18Å; Y516-M519 PolarHBondContact O-N 3.42Å; Y516-M520 WeakPolarHBondContact O-CB 3.5Å; Y516-M520 PolarHBondContact O-N 2.92Å; Y516-L547 HydrophobicContact CD1-CD2 3.85Å; Y516-L547 HydrophobicContact CE1-CD2 4.29Å; Y516-A550 HydrophobicContact CD1-CB 3.67Å; Y516-A550 HydrophobicContact CD2-CB 4.07Å; Y516-A550 HydrophobicContact CE1-CB 3.72Å; Y516-A550 HydrophobicContact CE2-CB 4.16Å; Y516-A550 HydrophobicContact CG-CB 3.83Å; Y516-Y554 AromaticContact CD2-CD2 3.85Å; Y516-Y554 HydrophobicContact CD2-CD2 3.85Å; Y516-Y554 HydrophobicContact CD2-CE2 4.12Å; Y516-Y554 AromaticContact CE2-CD2 3.72Å; Y516-Y554 HydrophobicContact CE2-CD2 3.72Å; Y516-Y554 AromaticContact CE2-CE2 3.49Å; Y516-Y554 HydrophobicContact CE2-CE2 3.49Å; Y516-Y554 VanDerWaalsContact CE2-CE2 3.49Å
517	N	96.1	Very high	94.2	Very high	17 Å²	17	25.5 Å²	25.5	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-64.8	-45.7	175.2	-176.4	80.3	0	0	0	111.2	A513 E514 T515 M519 M520 D521	A513-N517 PolarHBondContact O-N 3.03Å; E514-N517 CarbonylContact O-C 3.52Å; E514-N517 WeakPolarHBondContact O-CA 3.37Å; E514-N517 WeakPolarHBondContact O-CB 3.42Å; E514-N517 PolarHBondContact O-N 2.98Å; T515-N517 VanDerWaalsContact C-N 3.34Å; N517-M519 VanDerWaalsContact C-N 3.35Å; N517-M519 PolarHBondContact O-N 3.4Å; N517-M520 WeakPolarHBondContact O-CB 3.13Å; N517-M520 PolarHBondContact O-N 3.47Å; N517-M520 VanDerWaalsContact O-N 3.13Å; N517-M520 WeakPolarHBondContact OD1-CE 3.49Å; N517-D521 PolarHBondContact ND2-OD2 2.54Å; N517-D521 PolarHBondContact O-N 2.83Å
518	E	95.4	Very high	93.6	Very high	44 Å²	44	24.8 Å²	24.8	21%	0.206	13%	0.127	C	C	.	.	H	α-helix	trans	-57	-47.3	174.7	-72.1	172.3	173.6	0	0	110.8	R466 H482 R485 E514 T515 M520 D521 L522	R466-E518 IonicContact CZ-OE1 3.32Å; R466-E518 IonicContact NE-OE1 3.24Å; R466-E518 PolarHBondContact NE-OE1 3.28Å; R466-E518 IonicContact NH2-OE1 2.68Å; R466-E518 PolarHBondContact NH2-OE1 2.96Å; H482-E518 IonicContact CE1-OE2 3.69Å; H482-E518 PolarHBondContact CE1-OE2 3.09Å; H482-E518 IonicContact ND1-OE2 3.83Å; H482-E518 PolarHBondContact ND1-OE2 2.94Å; H482-E518 IonicContact NE2-OE2 2.97Å; R485-E518 IonicContact NH1-OE2 2.67Å; R485-E518 PolarHBondContact NH1-OE2 3.38Å; R485-E518 VanDerWaalsContact NH1-OE2 3.14Å; E514-E518 WeakPolarHBondContact O-CG 3.33Å; E514-E518 PolarHBondContact O-N 3.38Å; T515-E518 PolarHBondContact O-N 2.92Å; E518-M520 VanDerWaalsContact C-N 3.3Å; E518-M520 PolarHBondContact O-N 2.86Å; E518-D521 PolarHBondContact O-N 2.91Å; E518-L522 VanDerWaalsContact O-CG 3.28Å; E518-L522 WeakPolarHBondContact O-CG 3.46Å; E518-L522 PolarHBondContact O-N 2.83Å
519	M	96.9	Very high	92.8	Very high	9 Å²	9	32.6 Å²	32.6	4%	0.044	16%	0.156	C	C	.	.	H	α-helix	trans	-60.6	-38.1	175.6	-70.9	175.6	67.6	0	0	113.1	H482 K483 V486 T515 Y516 N517 K523 L547	H482-M519 HydrophobicContact CB-CG 3.39Å; H482-M519 HydrophobicContact CB-SD 3.89Å; K483-M519 HydrophobicContact CB-CE 3.81Å; K483-M519 HydrophobicContact CB-SD 4.44Å; K483-M519 HydrophobicContact CD-CE 3.83Å; K483-M519 HydrophobicContact CG-CE 4.38Å; V486-M519 HydrophobicContact CG2-SD 4.14Å; T515-M519 VanDerWaalsContact O-CG 3.3Å; T515-M519 WeakPolarHBondContact O-CG 3.28Å; T515-M519 PolarHBondContact O-N 3.3Å; Y516-M519 PolarHBondContact O-N 3.42Å; N517-M519 VanDerWaalsContact C-N 3.35Å; N517-M519 PolarHBondContact O-N 3.4Å; M519-K523 WeakPolarHBondContact O-CB 3.34Å; M519-K523 WeakPolarHBondContact O-CG 3.49Å; M519-K523 PolarHBondContact O-N 3.23Å; M519-K523 VanDerWaalsContact O-N 3.07Å; M519-L547 HydrophobicContact CB-CD1 4.16Å; M519-L547 HydrophobicContact CB-CD2 4.2Å; M519-L547 HydrophobicContact CE-CD2 3.95Å
520	M	94.8	Very high	91.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-47.5	177.2	176.2	-83.2	-57.4	0	0	111	Y516 N517 E518 L522 K523 L524 F544 L547 C548 L591 K594	Y516-M520 WeakPolarHBondContact O-CB 3.5Å; Y516-M520 PolarHBondContact O-N 2.92Å; N517-M520 WeakPolarHBondContact O-CB 3.13Å; N517-M520 PolarHBondContact O-N 3.47Å; N517-M520 VanDerWaalsContact O-N 3.13Å; N517-M520 WeakPolarHBondContact OD1-CE 3.49Å; E518-M520 VanDerWaalsContact C-N 3.3Å; E518-M520 PolarHBondContact O-N 2.86Å; M520-L522 PolarHBondContact O-N 3.25Å; M520-K523 PolarHBondContact O-N 2.86Å; M520-L524 PolarHBondContact O-N 2.93Å; M520-F544 HydrophobicContact CG-CD2 3.84Å; M520-F544 HydrophobicContact CG-CE2 3.54Å; M520-F544 HydrophobicContact CG-CZ 4.1Å; M520-F544 HydrophobicContact SD-CD2 4.16Å; M520-F544 HydrophobicContact SD-CE2 3.27Å; M520-F544 WeakPolarHBondContact SD-CE2 3.25Å; M520-F544 HydrophobicContact SD-CZ 3.67Å; M520-L547 HydrophobicContact CB-CB 3.85Å; M520-L547 HydrophobicContact CG-CB 4.47Å; M520-C548 HydrophobicContact CG-CB 4.28Å; M520-L591 HydrophobicContact CE-CD2 3.92Å; M520-K594 HydrophobicContact CE-CD 4.01Å; M520-K594 HydrophobicContact SD-CD 4.19Å
521	D	92.3	Very high	90.3	Very high	51 Å²	51	39.2 Å²	39.2	27%	0.273	19%	0.193	S	C	.	.	H	α-helix	trans	-63.5	-41.3	178.7	-72.7	-36.6	0	0	0	110.8	N517 E518 K523 L524 T525 K594	N517-D521 PolarHBondContact ND2-OD2 2.54Å; N517-D521 PolarHBondContact O-N 2.83Å; E518-D521 PolarHBondContact O-N 2.91Å; D521-K523 PolarHBondContact O-N 2.88Å; D521-L524 WeakPolarHBondContact O-CB 3.43Å; D521-L524 PolarHBondContact O-N 3.11Å; D521-T525 PolarHBondContact O-N 3.5Å; D521-T525 PolarHBondContact O-OG1 3.14Å; D521-T525 VanDerWaalsContact O-OG1 3.12Å; D521-K594 IonicContact OD1-NZ 2.9Å; D521-K594 PolarHBondContact OD1-NZ 3.36Å
522	L	92.8	Very high	88.3	Confident	11 Å²	11	44.5 Å²	44.5	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-44.3	173.4	-71.4	171.7	0	0	0	112.6	L475 R478 C479 E518 M520 L524 T525 L526	L475-L522 HydrophobicContact CB-CD2 4.4Å; L475-L522 HydrophobicContact CD2-CD2 3.84Å; R478-L522 HydrophobicContact CB-CD1 3.77Å; R478-L522 HydrophobicContact CB-CD2 4.26Å; C479-L522 HydrophobicContact CB-CD1 4.16Å; E518-L522 VanDerWaalsContact O-CG 3.28Å; E518-L522 WeakPolarHBondContact O-CG 3.46Å; E518-L522 PolarHBondContact O-N 2.83Å; M520-L522 PolarHBondContact O-N 3.25Å; L522-L524 VanDerWaalsContact C-N 3.34Å; L522-T525 PolarHBondContact O-N 3.39Å; L522-L526 WeakPolarHBondContact O-CG 3.49Å; L522-L526 PolarHBondContact O-N 3.19Å
523	K	90.1	Very high	86.1	Confident	31 Å²	31	51.6 Å²	51.6	14%	0.135	26%	0.26	C	S	.	.	H	α-helix	trans	-69.6	-32.7	178.6	-73.7	-68.6	172.2	-164.9	0	112.1	E476 C479 M519 M520 D521 L526 A527 L547	E476-K523 IonicContact OE1-NZ 2.64Å; E476-K523 PolarHBondContact OE1-NZ 3.27Å; C479-K523 VanDerWaalsContact SG-CE 3.58Å; M519-K523 WeakPolarHBondContact O-CB 3.34Å; M519-K523 WeakPolarHBondContact O-CG 3.49Å; M519-K523 PolarHBondContact O-N 3.23Å; M519-K523 VanDerWaalsContact O-N 3.07Å; M520-K523 PolarHBondContact O-N 2.86Å; D521-K523 PolarHBondContact O-N 2.88Å; K523-L526 HydrophobicContact CD-CD1 4.19Å; K523-A527 VanDerWaalsContact O-CB 3.29Å; K523-A527 WeakPolarHBondContact O-CB 3.45Å; K523-A527 PolarHBondContact O-N 2.96Å; K523-L547 HydrophobicContact CB-CD1 4.4Å; K523-L547 HydrophobicContact CG-CD1 4.02Å
524	L	87.2	Confident	84.3	Confident	42 Å²	42	59.1 Å²	59.1	22%	0.22	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-46.7	172.7	-174.8	58.1	0	0	0	111.6	M520 D521 L522 L526 A527 N528 F544	M520-L524 PolarHBondContact O-N 2.93Å; D521-L524 WeakPolarHBondContact O-CB 3.43Å; D521-L524 PolarHBondContact O-N 3.11Å; L522-L524 VanDerWaalsContact C-N 3.34Å; L524-L526 VanDerWaalsContact C-N 3.34Å; L524-L526 PolarHBondContact O-N 3.2Å; L524-A527 PolarHBondContact O-N 3.19Å; L524-A527 VanDerWaalsContact O-N 3.16Å; L524-N528 VanDerWaalsContact O-CG 3.3Å; L524-N528 PolarHBondContact O-N 3.47Å; L524-F544 HydrophobicContact CB-CD2 4.25Å; L524-F544 HydrophobicContact CB-CE2 3.85Å; L524-F544 HydrophobicContact CD1-CD2 4.41Å; L524-F544 HydrophobicContact CD1-CE2 3.94Å; L524-F544 HydrophobicContact CD1-CZ 4.47Å; L524-F544 HydrophobicContact CD2-CE2 4.1Å; L524-F544 HydrophobicContact CG-CE2 4.18Å
525	T	88.4	Confident	82.8	Confident	58 Å²	58	62.1 Å²	62.1	36%	0.356	32%	0.322	S	S	.	.	H	α-helix	trans	-60.4	-44.2	177.3	-60.8	0	0	0	0	111.4	L475 D521 L522 A527 N528 R529	L475-T525 HydrophobicContact CD1-CG2 3.69Å; D521-T525 PolarHBondContact O-N 3.5Å; D521-T525 PolarHBondContact O-OG1 3.14Å; D521-T525 VanDerWaalsContact O-OG1 3.12Å; L522-T525 PolarHBondContact O-N 3.39Å; T525-A527 VanDerWaalsContact C-N 3.33Å; T525-A527 PolarHBondContact O-N 3.48Å; T525-N528 PolarHBondContact O-N 2.84Å; T525-R529 WeakPolarHBondContact O-CG 3.41Å; T525-R529 PolarHBondContact O-N 3.2Å
526	L	86	Confident	81.6	Confident	33 Å²	33	64.7 Å²	64.7	17%	0.173	34%	0.335	C	S	.	.	H	α-helix	trans	-58.6	-45.3	173.4	-81.4	170.3	0	0	0	112.2	L475 E476 L522 K523 L524 R529 Q530	L475-L526 HydrophobicContact CB-CD1 3.97Å; L475-L526 HydrophobicContact CB-CD2 3.89Å; L475-L526 HydrophobicContact CB-CG 3.77Å; L475-L526 HydrophobicContact CD1-CD2 4.02Å; L475-L526 HydrophobicContact CD1-CG 3.93Å; L475-L526 HydrophobicContact CG-CD2 4.45Å; L475-L526 HydrophobicContact CG-CG 4.49Å; E476-L526 HydrophobicContact CB-CD1 4.48Å; L522-L526 WeakPolarHBondContact O-CG 3.49Å; L522-L526 PolarHBondContact O-N 3.19Å; K523-L526 HydrophobicContact CD-CD1 4.19Å; L524-L526 VanDerWaalsContact C-N 3.34Å; L524-L526 PolarHBondContact O-N 3.2Å; L526-R529 PolarHBondContact O-N 3.05Å; L526-Q530 VanDerWaalsContact O-CG 3.3Å; L526-Q530 WeakPolarHBondContact O-CG 3.29Å; L526-Q530 PolarHBondContact O-N 3.11Å; L526-Q530 VanDerWaalsContact O-N 3.14Å
527	A	82.3	Confident	80.8	Confident	6 Å²	6	68 Å²	68	5%	0.05	35%	0.354	C	S	.	.	H	α-helix	trans	-66.3	-39.6	-179	0	0	0	0	0	111.9	K523 L524 T525 Q530 A531 L536 T540	K523-A527 VanDerWaalsContact O-CB 3.29Å; K523-A527 WeakPolarHBondContact O-CB 3.45Å; K523-A527 PolarHBondContact O-N 2.96Å; L524-A527 PolarHBondContact O-N 3.19Å; L524-A527 VanDerWaalsContact O-N 3.16Å; T525-A527 VanDerWaalsContact C-N 3.33Å; T525-A527 PolarHBondContact O-N 3.48Å; A527-Q530 PolarHBondContact O-N 2.85Å; A527-A531 WeakPolarHBondContact O-CB 3.4Å; A527-A531 PolarHBondContact O-N 3.42Å; A527-L536 HydrophobicContact CB-CD2 3.49Å; A527-L536 VanDerWaalsContact CB-CD2 3.49Å; A527-T540 HydrophobicContact CB-CG2 3.78Å
528	N	82.9	Confident	80.1	Confident	91 Å²	91	69.5 Å²	69.5	49%	0.487	37%	0.373	S	S	.	.	H	α-helix	trans	-64.1	-41.7	175	-70.5	-18.5	0	0	0	111.9	L524 T525 Q530 A531	L524-N528 VanDerWaalsContact O-CG 3.3Å; L524-N528 PolarHBondContact O-N 3.47Å; T525-N528 PolarHBondContact O-N 2.84Å; N528-Q530 PolarHBondContact O-N 3.43Å; N528-A531 PolarHBondContact O-N 3.35Å
529	R	81.9	Confident	79.7	Confident	165 Å²	165	73.6 Å²	73.6	62%	0.623	39%	0.392	S	S	*	.	H	α-helix	trans	-63.1	-26.9	174.6	-71.7	179.6	-176.1	-176.4	2.3	113.2	T525 L526	T525-R529 WeakPolarHBondContact O-CG 3.41Å; T525-R529 PolarHBondContact O-N 3.2Å; L526-R529 PolarHBondContact O-N 3.05Å
530	Q	74.6	Confident	79.1	Confident	146 Å²	146	74.8 Å²	74.8	68%	0.682	40%	0.399	S	S	*	.	H	α-helix	trans	-89.9	-22.2	178.9	-69.4	172.4	0.4	0	0	112.8	L526 A527 N528 D532	L526-Q530 VanDerWaalsContact O-CG 3.3Å; L526-Q530 WeakPolarHBondContact O-CG 3.29Å; L526-Q530 PolarHBondContact O-N 3.11Å; L526-Q530 VanDerWaalsContact O-N 3.14Å; A527-Q530 PolarHBondContact O-N 2.85Å; N528-Q530 PolarHBondContact O-N 3.43Å; Q530-D532 VanDerWaalsContact C-N 3.33Å; Q530-D532 PolarHBondContact O-N 3.11Å
531	A	66.1	Low	78.7	Confident	33 Å²	33	76.8 Å²	76.8	27%	0.273	41%	0.41	S	S	.	.			trans	-86.3	7.3	-171.4	0	0	0	0	0	114.7	A527 N528 N533 H534	A527-A531 WeakPolarHBondContact O-CB 3.4Å; A527-A531 PolarHBondContact O-N 3.42Å; N528-A531 PolarHBondContact O-N 3.35Å; A531-N533 PolarHBondContact O-N 3.21Å; A531-H534 PolarHBondContact O-N 3.45Å
532	D	57.1	Low	78.6	Confident	136 Å²	136	81.9 Å²	81.9	73%	0.727	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-6.2	-178.3	-82.9	-17.1	0	0	0	114.8	Q530	Q530-D532 VanDerWaalsContact C-N 3.33Å; Q530-D532 PolarHBondContact O-N 3.11Å
533	N	52.5	Low	78.5	Confident	148 Å²	148	86 Å²	86	79%	0.791	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.5	2.8	167.5	-80.4	-50.9	0	0	0	116.9	A531	A531-N533 PolarHBondContact O-N 3.21Å
534	H	59.4	Low	78.5	Confident	158 Å²	158	85 Å²	85	73%	0.731	44%	0.443	S	S	*	.	S	Bend	trans	-145.6	150.3	-176.3	-69.8	-52.1	0	0	0	114.1	A531	A531-H534 PolarHBondContact O-N 3.45Å
535	S	65.6	Low	78.8	Confident	112 Å²	112	84.7 Å²	84.7	78%	0.783	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-60.9	142.4	170.8	58.7	0	0	0	0	111.3	D537	S535-D537 PolarHBondContact O-N 3.29Å
536	L	73	Confident	79.2	Confident	54 Å²	54	87.6 Å²	87.6	28%	0.283	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-48	130.5	174.5	-65.9	172.8	0	0	0	111.7	A527 T540 I541 I596	A527-L536 HydrophobicContact CB-CD2 3.49Å; A527-L536 VanDerWaalsContact CB-CD2 3.49Å; L536-T540 HydrophobicContact CD2-CG2 4.4Å; L536-I541 HydrophobicContact CB-CD1 4.04Å; L536-I541 HydrophobicContact CB-CG1 3.87Å; L536-I596 HydrophobicContact CD1-CD1 4Å
537	D	80.6	Confident	79.7	Confident	84 Å²	84	86.4 Å²	86.4	45%	0.449	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-73	154.5	178.2	78	-57.4	0	0	0	111.3	S535 H539 T540 I541	S535-D537 PolarHBondContact O-N 3.29Å; D537-H539 PolarHBondContact O-N 3.25Å; D537-H539 VanDerWaalsContact O-N 3.17Å; D537-H539 WeakPolarHBondContact OD2-CB 3.49Å; D537-H539 PolarHBondContact OD2-N 3.03Å; D537-T540 PolarHBondContact O-N 3.47Å; D537-T540 WeakPolarHBondContact OD1-CB 3.23Å; D537-T540 PolarHBondContact OD1-N 2.87Å; D537-T540 PolarHBondContact OD1-OG1 3.39Å; D537-I541 PolarHBondContact O-N 3.18Å; D537-I541 VanDerWaalsContact O-N 3.1Å
538	G	82.8	Confident	80.3	Confident	47 Å²	47	86.1 Å²	86.1	49%	0.485	44%	0.442	S	S	.	.	H	α-helix	trans	-61.6	-26.9	-174.7	0	0	0	0	0	114.3	K542	G538-K542 VanDerWaalsContact O-CG 3.29Å; G538-K542 WeakPolarHBondContact O-CG 3.45Å; G538-K542 PolarHBondContact O-N 3.48Å; G538-K542 VanDerWaalsContact O-N 3.12Å
539	H	85.6	Confident	80.9	Confident	131 Å²	131	84.7 Å²	84.7	61%	0.606	44%	0.439	S	S	*	.	H	α-helix	trans	-73.5	-43	177.1	170.9	-91.2	0	0	0	111.3	D537 I541 K542 K543	D537-H539 PolarHBondContact O-N 3.25Å; D537-H539 VanDerWaalsContact O-N 3.17Å; D537-H539 WeakPolarHBondContact OD2-CB 3.49Å; D537-H539 PolarHBondContact OD2-N 3.03Å; H539-I541 PolarHBondContact O-N 2.95Å; H539-K542 PolarHBondContact O-N 2.82Å; H539-K543 PolarHBondContact O-N 3.44Å
540	T	84.3	Confident	81.7	Confident	33 Å²	33	77.4 Å²	77.4	20%	0.202	41%	0.414	C	S	.	.	H	α-helix	trans	-61.7	-42.8	174.5	-62	0	0	0	0	111.7	A527 L536 D537 K542 K543 F544	A527-T540 HydrophobicContact CB-CG2 3.78Å; L536-T540 HydrophobicContact CD2-CG2 4.4Å; D537-T540 PolarHBondContact O-N 3.47Å; D537-T540 WeakPolarHBondContact OD1-CB 3.23Å; D537-T540 PolarHBondContact OD1-N 2.87Å; D537-T540 PolarHBondContact OD1-OG1 3.39Å; T540-K542 PolarHBondContact O-N 3.24Å; T540-K543 PolarHBondContact O-N 3.16Å; T540-F544 VanDerWaalsContact O-CB 3.29Å; T540-F544 WeakPolarHBondContact O-CB 3.45Å; T540-F544 PolarHBondContact O-N 3.36Å
541	I	86.6	Confident	82.8	Confident	42 Å²	42	70.4 Å²	70.4	22%	0.215	38%	0.381	C	S	.	.	H	α-helix	trans	-59.9	-45.4	175.8	-66.6	170.8	0	0	0	111.3	L536 D537 H539 K543 F544 N545 I596	L536-I541 HydrophobicContact CB-CD1 4.04Å; L536-I541 HydrophobicContact CB-CG1 3.87Å; D537-I541 PolarHBondContact O-N 3.18Å; D537-I541 VanDerWaalsContact O-N 3.1Å; H539-I541 PolarHBondContact O-N 2.95Å; I541-K543 PolarHBondContact O-N 3.02Å; I541-F544 PolarHBondContact O-N 3.49Å; I541-N545 WeakPolarHBondContact O-CB 3.44Å; I541-N545 PolarHBondContact O-N 3.25Å; I541-I596 HydrophobicContact CD1-CG2 4.33Å; I541-I596 HydrophobicContact CG1-CG2 4.42Å; I541-I596 HydrophobicContact CG2-CB 4.07Å; I541-I596 HydrophobicContact CG2-CG2 3.94Å
542	K	90.4	Very high	84.3	Confident	159 Å²	159	69.4 Å²	69.4	69%	0.691	37%	0.373	S	S	*	.	H	α-helix	trans	-59.6	-46.3	177.7	-78.5	175.1	-177.8	-178.1	0	111.7	G538 H539 T540 H546	G538-K542 VanDerWaalsContact O-CG 3.29Å; G538-K542 WeakPolarHBondContact O-CG 3.45Å; G538-K542 PolarHBondContact O-N 3.48Å; G538-K542 VanDerWaalsContact O-N 3.12Å; H539-K542 PolarHBondContact O-N 2.82Å; T540-K542 PolarHBondContact O-N 3.24Å; K542-H546 WeakPolarHBondContact O-CB 3.4Å; K542-H546 PolarHBondContact O-N 2.85Å
543	K	90.4	Very high	86.2	Confident	98 Å²	98	67.8 Å²	67.8	43%	0.426	36%	0.36	S	S	.	.	H	α-helix	trans	-66.8	-43.3	-179.6	-169.5	167.1	-175.1	169.1	0	111.9	H539 T540 I541 H546 L547	H539-K543 PolarHBondContact O-N 3.44Å; T540-K543 PolarHBondContact O-N 3.16Å; I541-K543 PolarHBondContact O-N 3.02Å; K543-H546 PolarHBondContact O-N 2.97Å; K543-L547 WeakPolarHBondContact O-CG 3.47Å; K543-L547 PolarHBondContact O-N 3.45Å
544	F	91.5	Very high	88.4	Confident	10 Å²	10	60.8 Å²	60.8	4%	0.044	32%	0.322	C	S	.	.	H	α-helix	trans	-58.3	-50.8	174.8	174.7	-92.3	0	0	0	111.7	M520 L524 T540 I541 H546 L547 C548 K594 I596	M520-F544 HydrophobicContact CG-CD2 3.84Å; M520-F544 HydrophobicContact CG-CE2 3.54Å; M520-F544 HydrophobicContact CG-CZ 4.1Å; M520-F544 HydrophobicContact SD-CD2 4.16Å; M520-F544 HydrophobicContact SD-CE2 3.27Å; M520-F544 WeakPolarHBondContact SD-CE2 3.25Å; M520-F544 HydrophobicContact SD-CZ 3.67Å; L524-F544 HydrophobicContact CB-CD2 4.25Å; L524-F544 HydrophobicContact CB-CE2 3.85Å; L524-F544 HydrophobicContact CD1-CD2 4.41Å; L524-F544 HydrophobicContact CD1-CE2 3.94Å; L524-F544 HydrophobicContact CD1-CZ 4.47Å; L524-F544 HydrophobicContact CD2-CE2 4.1Å; L524-F544 HydrophobicContact CG-CE2 4.18Å; T540-F544 VanDerWaalsContact O-CB 3.29Å; T540-F544 WeakPolarHBondContact O-CB 3.45Å; T540-F544 PolarHBondContact O-N 3.36Å; I541-F544 PolarHBondContact O-N 3.49Å; F544-H546 VanDerWaalsContact C-N 3.3Å; F544-H546 PolarHBondContact O-N 3.02Å; F544-L547 PolarHBondContact O-N 3.33Å; F544-C548 WeakPolarHBondContact O-CB 3.26Å; F544-C548 PolarHBondContact O-N 3.12Å; F544-K594 WeakPolarHBondContact CE1-O 3.39Å; F544-K594 HydrophobicContact CZ-CB 4.32Å; F544-I596 HydrophobicContact CD1-CD1 3.88Å; F544-I596 HydrophobicContact CD1-CG1 4.2Å; F544-I596 HydrophobicContact CE1-CD1 3.96Å; F544-I596 HydrophobicContact CE1-CG1 4.02Å
545	N	93.5	Very high	90.2	Very high	34 Å²	34	53.4 Å²	53.4	18%	0.182	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-35.3	178.3	-75.5	-15.9	0	0	0	112.6	I541 C548 S549 L595 I596	I541-N545 WeakPolarHBondContact O-CB 3.44Å; I541-N545 PolarHBondContact O-N 3.25Å; N545-C548 PolarHBondContact O-N 3.42Å; N545-S549 VanDerWaalsContact O-CB 3.29Å; N545-S549 WeakPolarHBondContact O-CB 3.32Å; N545-S549 PolarHBondContact O-N 2.9Å; N545-S549 PolarHBondContact O-OG 3.37Å; N545-L595 HydrophobicContact CB-CD2 4.13Å; N545-I596 PolarHBondContact ND2-O 3.13Å; N545-I596 PolarHBondContact OD1-N 2.95Å
546	H	95.4	Very high	91.7	Very high	119 Å²	119	51 Å²	51	55%	0.551	26%	0.264	S	S	*	.	H	α-helix	trans	-61.9	-49.5	174.9	172.5	71.4	0	0	0	111.4	K542 K543 F544 C548 S549 A550	K542-H546 WeakPolarHBondContact O-CB 3.4Å; K542-H546 PolarHBondContact O-N 2.85Å; K543-H546 PolarHBondContact O-N 2.97Å; F544-H546 VanDerWaalsContact C-N 3.3Å; F544-H546 PolarHBondContact O-N 3.02Å; H546-C548 VanDerWaalsContact C-N 3.34Å; H546-C548 PolarHBondContact O-N 3.46Å; H546-S549 PolarHBondContact O-N 3.36Å; H546-A550 WeakPolarHBondContact O-CB 3.49Å; H546-A550 PolarHBondContact O-N 3.4Å
547	L	96.3	Very high	92.8	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-42.1	177.7	-64.8	171	0	0	0	111.6	Y516 M519 M520 K523 K543 F544 A550 S551	Y516-L547 HydrophobicContact CD1-CD2 3.85Å; Y516-L547 HydrophobicContact CE1-CD2 4.29Å; M519-L547 HydrophobicContact CB-CD1 4.16Å; M519-L547 HydrophobicContact CB-CD2 4.2Å; M519-L547 HydrophobicContact CE-CD2 3.95Å; M520-L547 HydrophobicContact CB-CB 3.85Å; M520-L547 HydrophobicContact CG-CB 4.47Å; K523-L547 HydrophobicContact CB-CD1 4.4Å; K523-L547 HydrophobicContact CG-CD1 4.02Å; K543-L547 WeakPolarHBondContact O-CG 3.47Å; K543-L547 PolarHBondContact O-N 3.45Å; F544-L547 PolarHBondContact O-N 3.33Å; L547-A550 PolarHBondContact O-N 3.21Å; L547-S551 PolarHBondContact O-N 3.36Å
548	C	95.6	Very high	93.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-46.3	175.7	-172.1	0	0	0	0	111.8	M520 F544 N545 H546 S551 A552 L591 L595	M520-C548 HydrophobicContact CG-CB 4.28Å; F544-C548 WeakPolarHBondContact O-CB 3.26Å; F544-C548 PolarHBondContact O-N 3.12Å; N545-C548 PolarHBondContact O-N 3.42Å; H546-C548 VanDerWaalsContact C-N 3.34Å; H546-C548 PolarHBondContact O-N 3.46Å; C548-S551 PolarHBondContact O-N 3.36Å; C548-A552 WeakPolarHBondContact O-CB 3.38Å; C548-A552 PolarHBondContact O-N 3.2Å; C548-L591 PolarHBondContact SG-O 3.28Å; C548-L595 HydrophobicContact CB-CD2 3.83Å
549	S	96.1	Very high	94.1	Very high	60 Å²	60	44.9 Å²	44.9	42%	0.42	22%	0.219	S	C	.	.	H	α-helix	trans	-67.8	-36.8	178.6	-55.4	0	0	0	0	112.1	N545 H546 A552 K553	N545-S549 VanDerWaalsContact O-CB 3.29Å; N545-S549 WeakPolarHBondContact O-CB 3.32Å; N545-S549 PolarHBondContact O-N 2.9Å; N545-S549 PolarHBondContact O-OG 3.37Å; H546-S549 PolarHBondContact O-N 3.36Å; S549-A552 PolarHBondContact O-N 3.23Å; S549-K553 VanDerWaalsContact O-CB 3.31Å; S549-K553 WeakPolarHBondContact O-CB 3.36Å; S549-K553 PolarHBondContact O-N 3.31Å
550	A	97.8	Very high	94.6	Very high	12 Å²	12	42.8 Å²	42.8	10%	0.099	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-44.4	175.7	0	0	0	0	0	111.5	Y516 H546 L547 K553 Y554	Y516-A550 HydrophobicContact CD1-CB 3.67Å; Y516-A550 HydrophobicContact CD2-CB 4.07Å; Y516-A550 HydrophobicContact CE1-CB 3.72Å; Y516-A550 HydrophobicContact CE2-CB 4.16Å; Y516-A550 HydrophobicContact CG-CB 3.83Å; H546-A550 WeakPolarHBondContact O-CB 3.49Å; H546-A550 PolarHBondContact O-N 3.4Å; L547-A550 PolarHBondContact O-N 3.21Å; A550-K553 WeakPolarHBondContact O-CB 3.46Å; A550-K553 PolarHBondContact O-N 3.46Å; A550-Y554 VanDerWaalsContact O-CD2 3.31Å; A550-Y554 WeakPolarHBondContact O-CD2 3.41Å; A550-Y554 PolarHBondContact O-N 2.98Å; A550-Y554 VanDerWaalsContact O-N 3.16Å
551	S	98.1	Very high	95	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-48	173.8	-177.5	0	0	0	0	111.5	A513 L547 C548 K553 Y554 F555 L591	A513-S551 WeakPolarHBondContact O-CB 3.45Å; A513-S551 PolarHBondContact O-OG 2.64Å; L547-S551 PolarHBondContact O-N 3.36Å; C548-S551 PolarHBondContact O-N 3.36Å; S551-K553 VanDerWaalsContact C-N 3.32Å; S551-K553 PolarHBondContact O-N 2.95Å; S551-Y554 PolarHBondContact O-N 2.69Å; S551-F555 WeakPolarHBondContact O-CD2 3.38Å; S551-F555 PolarHBondContact O-N 3.01Å; S551-F555 VanDerWaalsContact O-N 3.11Å; S551-L591 WeakPolarHBondContact OG-CD1 3.41Å
552	A	97.3	Very high	95.4	Very high	12 Å²	12	41.4 Å²	41.4	10%	0.099	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-39	178.6	0	0	0	0	0	112.1	C548 S549 Y554 Q556 L591	C548-A552 WeakPolarHBondContact O-CB 3.38Å; C548-A552 PolarHBondContact O-N 3.2Å; S549-A552 PolarHBondContact O-N 3.23Å; A552-Y554 PolarHBondContact O-N 2.91Å; A552-Q556 VanDerWaalsContact O-CB 3.31Å; A552-Q556 WeakPolarHBondContact O-CB 3.39Å; A552-Q556 PolarHBondContact O-N 3.23Å; A552-L591 HydrophobicContact CB-CB 4.33Å; A552-L591 HydrophobicContact CB-CD1 4.06Å
553	K	97.3	Very high	95.4	Very high	102 Å²	102	35.7 Å²	35.7	44%	0.443	19%	0.186	S	C	.	.	H	α-helix	trans	-56.5	-50.4	175.2	176.4	-163.7	170.3	-159.8	0	111.1	S549 A550 S551 Q556 M557	S549-K553 VanDerWaalsContact O-CB 3.31Å; S549-K553 WeakPolarHBondContact O-CB 3.36Å; S549-K553 PolarHBondContact O-N 3.31Å; A550-K553 WeakPolarHBondContact O-CB 3.46Å; A550-K553 PolarHBondContact O-N 3.46Å; S551-K553 VanDerWaalsContact C-N 3.32Å; S551-K553 PolarHBondContact O-N 2.95Å; K553-Q556 PolarHBondContact O-N 3.13Å; K553-M557 HydrophobicContact CD-SD 4.41Å; K553-M557 HydrophobicContact CG-SD 4.03Å; K553-M557 VanDerWaalsContact O-CG 3.31Å; K553-M557 WeakPolarHBondContact O-CG 3.41Å; K553-M557 PolarHBondContact O-N 3.36Å
554	Y	98.4	Very high	95.2	Very high	1 Å²	1	33 Å²	33	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-70.8	-37.2	-176.5	-79.8	-68.5	0	0	0	113	E490 M509 L512 Y516 A550 S551 A552 Q556 M557 F558	E490-Y554 VanDerWaalsContact CG-OH 3.29Å; E490-Y554 WeakPolarHBondContact CG-OH 3.4Å; E490-Y554 PolarHBondContact OE1-OH 2.67Å; M509-Y554 HydrophobicContact CG-CD1 4.47Å; M509-Y554 WeakPolarHBondContact O-CB 3.45Å; L512-Y554 HydrophobicContact CB-CD1 4.13Å; L512-Y554 HydrophobicContact CB-CD2 4Å; L512-Y554 HydrophobicContact CB-CE1 4.46Å; L512-Y554 HydrophobicContact CB-CE2 4.35Å; L512-Y554 HydrophobicContact CB-CG 3.91Å; L512-Y554 HydrophobicContact CD1-CD1 4.04Å; L512-Y554 HydrophobicContact CD1-CE1 3.68Å; L512-Y554 HydrophobicContact CD1-CE2 4.44Å; Y516-Y554 AromaticContact CD2-CD2 3.85Å; Y516-Y554 HydrophobicContact CD2-CD2 3.85Å; Y516-Y554 HydrophobicContact CD2-CE2 4.12Å; Y516-Y554 AromaticContact CE2-CD2 3.72Å; Y516-Y554 HydrophobicContact CE2-CD2 3.72Å; Y516-Y554 AromaticContact CE2-CE2 3.49Å; Y516-Y554 HydrophobicContact CE2-CE2 3.49Å; Y516-Y554 VanDerWaalsContact CE2-CE2 3.49Å; A550-Y554 VanDerWaalsContact O-CD2 3.31Å; A550-Y554 WeakPolarHBondContact O-CD2 3.41Å; A550-Y554 PolarHBondContact O-N 2.98Å; A550-Y554 VanDerWaalsContact O-N 3.16Å; S551-Y554 PolarHBondContact O-N 2.69Å; A552-Y554 PolarHBondContact O-N 2.91Å; Y554-Q556 VanDerWaalsContact C-N 3.32Å; Y554-Q556 PolarHBondContact O-N 2.99Å; Y554-M557 HydrophobicContact CD1-CE 4.28Å; Y554-M557 HydrophobicContact CD1-SD 3.94Å; Y554-M557 HydrophobicContact CE1-CE 4.15Å; Y554-M557 HydrophobicContact CE1-SD 4.03Å; Y554-M557 PolarHBondContact O-N 2.97Å; Y554-F558 PolarHBondContact O-N 3.39Å
555	F	98.2	Very high	94.7	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-40.6	169.5	-77.7	-54.3	0	0	0	112	F510 A513 E514 S551 F558 L559 A584 R587 V588 L591	F510-F555 HydrophobicContact CD2-CD1 4.33Å; F510-F555 HydrophobicContact CD2-CE1 4.08Å; F510-F555 HydrophobicContact CE1-CE1 4.35Å; F510-F555 HydrophobicContact CE2-CD1 4.27Å; F510-F555 AromaticContact CE2-CE1 3.84Å; F510-F555 HydrophobicContact CE2-CE1 3.84Å; F510-F555 HydrophobicContact CG-CE1 4.43Å; F510-F555 AromaticContact CZ-CE1 3.99Å; F510-F555 HydrophobicContact CZ-CE1 3.99Å; A513-F555 HydrophobicContact CB-CB 4.37Å; A513-F555 HydrophobicContact CB-CD1 3.59Å; A513-F555 HydrophobicContact CB-CD2 3.58Å; A513-F555 HydrophobicContact CB-CE1 3.6Å; A513-F555 HydrophobicContact CB-CE2 3.59Å; A513-F555 HydrophobicContact CB-CG 3.56Å; A513-F555 HydrophobicContact CB-CZ 3.59Å; E514-F555 HydrophobicContact CG-CZ 4.37Å; S551-F555 WeakPolarHBondContact O-CD2 3.38Å; S551-F555 PolarHBondContact O-N 3.01Å; S551-F555 VanDerWaalsContact O-N 3.11Å; F555-F558 WeakPolarHBondContact O-CB 3.3Å; F555-F558 PolarHBondContact O-N 3.45Å; F555-L559 WeakPolarHBondContact O-CG 3.34Å; F555-L559 PolarHBondContact O-N 2.55Å; F555-A584 HydrophobicContact CB-CB 4.35Å; F555-A584 HydrophobicContact CD1-CB 3.67Å; F555-A584 HydrophobicContact CE1-CB 4.39Å; F555-A584 HydrophobicContact CG-CB 4.3Å; F555-R587 HydrophobicContact CD2-CB 3.97Å; F555-R587 HydrophobicContact CE1-CB 4.49Å; F555-R587 HydrophobicContact CE2-CB 3.61Å; F555-R587 HydrophobicContact CE2-CG 4.19Å; F555-R587 HydrophobicContact CZ-CB 3.91Å; F555-R587 HydrophobicContact CZ-CG 4.03Å; F555-V588 HydrophobicContact CB-CG2 3.47Å; F555-V588 VanDerWaalsContact CB-CG2 3.47Å; F555-V588 HydrophobicContact CG-CG2 4.3Å; F555-L591 HydrophobicContact CD2-CD1 3.93Å; F555-L591 HydrophobicContact CE2-CD1 4.2Å
556	Q	96.2	Very high	94.2	Very high	61 Å²	61	44 Å²	44	29%	0.285	24%	0.242	S	C	.	.	H	α-helix	trans	-65.7	-43.3	177.3	-170.5	61	54.4	0	0	111.5	A552 K553 Y554 F558 L559 D560	A552-Q556 VanDerWaalsContact O-CB 3.31Å; A552-Q556 WeakPolarHBondContact O-CB 3.39Å; A552-Q556 PolarHBondContact O-N 3.23Å; K553-Q556 PolarHBondContact O-N 3.13Å; Y554-Q556 VanDerWaalsContact C-N 3.32Å; Y554-Q556 PolarHBondContact O-N 2.99Å; Q556-F558 VanDerWaalsContact C-N 3.26Å; Q556-F558 PolarHBondContact O-N 3.26Å; Q556-L559 PolarHBondContact O-N 3Å; Q556-L559 VanDerWaalsContact O-N 3.14Å; Q556-D560 PolarHBondContact NE2-OD1 3.38Å; Q556-D560 WeakPolarHBondContact O-CB 3.4Å; Q556-D560 PolarHBondContact O-N 3.17Å
557	M	95.6	Very high	93.6	Very high	40 Å²	40	40.8 Å²	40.8	20%	0.197	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-40.1	174	-73.1	171.3	58.5	0	0	112	M509 K553 Y554 S561	M509-M557 HydrophobicContact CE-CB 4.49Å; M509-M557 HydrophobicContact CE-CE 4.18Å; M509-M557 HydrophobicContact CG-CB 4.35Å; M509-M557 HydrophobicContact CG-CE 4.44Å; M509-M557 VanDerWaalsContact SD-C 3.52Å; M509-M557 HydrophobicContact SD-CB 3.75Å; K553-M557 HydrophobicContact CD-SD 4.41Å; K553-M557 HydrophobicContact CG-SD 4.03Å; K553-M557 VanDerWaalsContact O-CG 3.31Å; K553-M557 WeakPolarHBondContact O-CG 3.41Å; K553-M557 PolarHBondContact O-N 3.36Å; Y554-M557 HydrophobicContact CD1-CE 4.28Å; Y554-M557 HydrophobicContact CD1-SD 3.94Å; Y554-M557 HydrophobicContact CE1-CE 4.15Å; Y554-M557 HydrophobicContact CE1-SD 4.03Å; Y554-M557 PolarHBondContact O-N 2.97Å; M557-S561 PolarHBondContact O-N 2.96Å
558	F	96.8	Very high	93.1	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-49.3	173.9	168.7	-98.4	0	0	0	111.3	R506 M509 F510 Y554 F555 Q556 D560 S561 L562 P580 A581 A584	R506-F558 HydrophobicContact CB-CD2 3.87Å; R506-F558 HydrophobicContact CB-CE2 3.93Å; R506-F558 HydrophobicContact CG-CD2 3.99Å; R506-F558 HydrophobicContact CG-CE2 4.11Å; M509-F558 HydrophobicContact CB-CB 4.1Å; M509-F558 HydrophobicContact SD-CB 4.38Å; F510-F558 HydrophobicContact CD2-CD1 4.27Å; F510-F558 HydrophobicContact CD2-CE1 4.34Å; F510-F558 HydrophobicContact CD2-CG 4.41Å; Y554-F558 PolarHBondContact O-N 3.39Å; F555-F558 WeakPolarHBondContact O-CB 3.3Å; F555-F558 PolarHBondContact O-N 3.45Å; Q556-F558 VanDerWaalsContact C-N 3.26Å; Q556-F558 PolarHBondContact O-N 3.26Å; F558-D560 PolarHBondContact O-N 3.26Å; F558-S561 WeakPolarHBondContact O-CB 3.26Å; F558-S561 PolarHBondContact O-N 3.39Å; F558-S561 VanDerWaalsContact O-N 3.15Å; F558-S561 PolarHBondContact O-OG 3.42Å; F558-L562 HydrophobicContact CE1-CD1 4.06Å; F558-L562 HydrophobicContact CZ-CD1 4.22Å; F558-P580 HydrophobicContact CE1-CB 4.13Å; F558-P580 HydrophobicContact CZ-CB 3.77Å; F558-A581 HydrophobicContact CE1-CB 4.4Å; F558-A584 HydrophobicContact CD1-CB 4.01Å; F558-A584 HydrophobicContact CE1-CB 4.33Å
559	L	95.7	Very high	92.6	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-42.2	178.1	-68.8	170.5	0	0	0	112.3	F555 Q556 S561 L562 A581 A584 R585	F555-L559 WeakPolarHBondContact O-CG 3.34Å; F555-L559 PolarHBondContact O-N 2.55Å; Q556-L559 PolarHBondContact O-N 3Å; Q556-L559 VanDerWaalsContact O-N 3.14Å; L559-S561 PolarHBondContact O-N 3.38Å; L559-L562 WeakPolarHBondContact O-CB 3.42Å; L559-L562 PolarHBondContact O-N 3.09Å; L559-A581 HydrophobicContact CD2-CB 4.27Å; L559-A584 HydrophobicContact CD1-CB 4.35Å; L559-A584 HydrophobicContact CD2-CB 4.03Å; L559-A584 HydrophobicContact CG-CB 4.11Å; L559-R585 HydrophobicContact CD1-CG 4.07Å; L559-R585 HydrophobicContact CD2-CG 4.04Å
560	D	94.3	Very high	92.2	Very high	87 Å²	87	49.6 Å²	49.6	47%	0.465	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-31	177.8	-65.2	-17.8	0	0	0	111.4	Q556 F558 L562 C563	Q556-D560 PolarHBondContact NE2-OD1 3.38Å; Q556-D560 WeakPolarHBondContact O-CB 3.4Å; Q556-D560 PolarHBondContact O-N 3.17Å; F558-D560 PolarHBondContact O-N 3.26Å; D560-L562 PolarHBondContact O-N 2.92Å; D560-C563 WeakPolarHBondContact O-CB 3.47Å; D560-C563 PolarHBondContact O-N 3.3Å
561	S	94.1	Very high	91.6	Very high	25 Å²	25	57.7 Å²	57.7	18%	0.175	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.3	176	86.1	0	0	0	0	113.8	R506 M557 F558 L559	R506-S561 VanDerWaalsContact CG-OG 3.27Å; R506-S561 WeakPolarHBondContact CG-OG 3.21Å; R506-S561 PolarHBondContact NE-OG 3.21Å; R506-S561 PolarHBondContact NH2-O 3.49Å; M557-S561 PolarHBondContact O-N 2.96Å; F558-S561 WeakPolarHBondContact O-CB 3.26Å; F558-S561 PolarHBondContact O-N 3.39Å; F558-S561 VanDerWaalsContact O-N 3.15Å; F558-S561 PolarHBondContact O-OG 3.42Å; L559-S561 PolarHBondContact O-N 3.38Å
562	L	93.6	Very high	91.2	Very high	22 Å²	22	63.3 Å²	63.3	12%	0.115	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.1	176	-55	177.7	0	0	0	112.1	F558 L559 D560 L573 V577 A581	F558-L562 HydrophobicContact CE1-CD1 4.06Å; F558-L562 HydrophobicContact CZ-CD1 4.22Å; L559-L562 WeakPolarHBondContact O-CB 3.42Å; L559-L562 PolarHBondContact O-N 3.09Å; D560-L562 PolarHBondContact O-N 2.92Å; L562-L573 HydrophobicContact CD1-CD2 4.25Å; L562-V577 HydrophobicContact CD2-CB 4.18Å; L562-V577 HydrophobicContact CD2-CG1 4.14Å; L562-V577 HydrophobicContact CD2-CG2 4.25Å; L562-A581 HydrophobicContact CD1-CB 3.66Å
563	C	92.1	Very high	91	Very high	38 Å²	38	63 Å²	63	26%	0.257	34%	0.34	S	S	.	.	S	Bend	trans	-70.7	153.1	-179.4	-66.1	0	0	0	0	111.8	D560 K568	D560-C563 WeakPolarHBondContact O-CB 3.47Å; D560-C563 PolarHBondContact O-N 3.3Å; C563-K568 CarbonylContact C-O 3.05Å; C563-K568 VanDerWaalsContact CA-O 3.23Å; C563-K568 WeakPolarHBondContact CA-O 3.31Å; C563-K568 WeakPolarHBondContact CB-O 3.43Å
564	S	85.8	Confident	90.7	Very high	42 Å²	42	64.5 Å²	64.5	29%	0.294	35%	0.349	S	S	.	.			trans	-62.7	166.2	172.2	84	0	0	0	0	111.5	E566 G567 K568	S564-E566 VanDerWaalsContact CB-OE2 3.28Å; S564-E566 WeakPolarHBondContact CB-OE2 3.37Å; S564-E566 PolarHBondContact O-N 3.22Å; S564-E566 VanDerWaalsContact O-N 3.08Å; S564-E566 PolarHBondContact OG-N 3.4Å; S564-E566 PolarHBondContact OG-OE2 3.49Å; S564-G567 WeakPolarHBondContact O-CA 3.48Å; S564-G567 PolarHBondContact O-N 3.47Å; S564-K568 PolarHBondContact N-O 2.86Å; S564-K568 PolarHBondContact OG-N 2.94Å
565	P	81.3	Confident	90.3	Very high	132 Å²	132	73 Å²	73	86%	0.857	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-26.2	173.5	-25.9	35.8	0	0	0	113.9	G567	P565-G567 VanDerWaalsContact C-N 3.26Å
566	E	83.3	Confident	89.9	Confident	144 Å²	144	80.5 Å²	80.5	67%	0.673	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	1.3	174.8	-53.1	73.3	-156.6	0	0	113.4	S564	S564-E566 VanDerWaalsContact CB-OE2 3.28Å; S564-E566 WeakPolarHBondContact CB-OE2 3.37Å; S564-E566 PolarHBondContact O-N 3.22Å; S564-E566 VanDerWaalsContact O-N 3.08Å; S564-E566 PolarHBondContact OG-N 3.4Å; S564-E566 PolarHBondContact OG-OE2 3.49Å
567	G	81.6	Confident	89.7	Confident	51 Å²	51	78.4 Å²	78.4	53%	0.526	42%	0.415	S	S	.	.	S	Bend	trans	79	17	179.1	0	0	0	0	0	114.5	S564 P565	S564-G567 WeakPolarHBondContact O-CA 3.48Å; S564-G567 PolarHBondContact O-N 3.47Å; P565-G567 VanDerWaalsContact C-N 3.26Å
568	K	86.5	Confident	89.6	Confident	145 Å²	145	77.8 Å²	77.8	63%	0.63	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-87.6	137	179.2	-66.3	-176.8	-179.6	178.6	0	110.9	C563 S564	C563-K568 CarbonylContact C-O 3.05Å; C563-K568 VanDerWaalsContact CA-O 3.23Å; C563-K568 WeakPolarHBondContact CA-O 3.31Å; C563-K568 WeakPolarHBondContact CB-O 3.43Å; S564-K568 PolarHBondContact N-O 2.86Å; S564-K568 PolarHBondContact OG-N 2.94Å
569	P	84.6	Confident	89.6	Confident	68 Å²	68	82.9 Å²	82.9	44%	0.442	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-64	147.8	172	28.9	-33.9	0	0	0	110.2
570	P	87	Confident	89.6	Confident	41 Å²	41	84.4 Å²	84.4	27%	0.266	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-66	137.6	177.7	27.8	-33.6	0	0	0	110.4	H572 L573	P570-H572 VanDerWaalsContact C-N 3.29Å; P570-L573 HydrophobicContact CG-CD2 3.62Å; P570-L573 HydrophobicContact CG-CG 4.48Å
571	E	85.6	Confident	89.6	Confident	181 Å²	181	80.4 Å²	80.4	85%	0.846	42%	0.421	S	S	*	.	S	Bend	trans	-67.3	-34.5	174.2	-69.8	-177	176.8	0	0	111.2	H624	E571-H624 PolarHBondContact O-NE2 3.49Å
572	H	89.8	Confident	89.8	Confident	118 Å²	118	79.2 Å²	79.2	55%	0.546	41%	0.412	S	S	.	.	S	Bend	trans	-127.8	124.8	176	-170.3	71.4	0	0	0	109.8	P570 H624	P570-H572 VanDerWaalsContact C-N 3.29Å; H572-H624 AromaticContact ND1-CE1 3.96Å; H572-H624 AromaticContact ND1-ND1 3.96Å
573	L	92.5	Very high	89.9	Confident	7 Å²	7	78.8 Å²	78.8	4%	0.037	41%	0.411	C	S	.	.			trans	-82	130.5	174.2	-66.2	165.6	0	0	0	109.8	L562 P570 V577 L578 A581 L582 Y620	L562-L573 HydrophobicContact CD1-CD2 4.25Å; P570-L573 HydrophobicContact CG-CD2 3.62Å; P570-L573 HydrophobicContact CG-CG 4.48Å; L573-V577 HydrophobicContact CD2-CG2 4.47Å; L573-L578 HydrophobicContact CB-CB 4.28Å; L573-L578 HydrophobicContact CB-CD1 3.82Å; L573-L578 HydrophobicContact CD1-CD1 3.91Å; L573-L578 HydrophobicContact CG-CD1 4.49Å; L573-A581 HydrophobicContact CD1-CB 3.86Å; L573-A581 HydrophobicContact CD2-CB 3.94Å; L573-L582 HydrophobicContact CD1-CD2 4.38Å; L573-L582 HydrophobicContact CD1-CG 4.32Å; L573-Y620 WeakPolarHBondContact CB-OH 3.42Å; L573-Y620 HydrophobicContact CD1-CD2 4.47Å; L573-Y620 HydrophobicContact CD1-CE1 4.11Å; L573-Y620 HydrophobicContact CD1-CE2 3.87Å; L573-Y620 HydrophobicContact CG-CE2 4.02Å; L573-Y620 PolarHBondContact N-OH 2.56Å
574	E	91	Very high	90.2	Very high	132 Å²	132	77 Å²	77	62%	0.617	40%	0.399	S	S	*	.			trans	-62.1	150.4	172.1	-62.3	169	-174	0	0	110.9	E576 V577 L578	E574-E576 VanDerWaalsContact C-N 3.25Å; E574-E576 PolarHBondContact O-N 3.02Å; E574-V577 HydrophobicContact CB-CG2 4.13Å; E574-V577 WeakPolarHBondContact O-CG2 3.29Å; E574-V577 PolarHBondContact O-N 3.5Å; E574-L578 WeakPolarHBondContact O-CB 3.31Å; E574-L578 PolarHBondContact O-N 3.42Å
575	E	90.2	Very high	90.7	Very high	181 Å²	181	77.3 Å²	77.3	85%	0.846	39%	0.393	S	S	*	.	H	α-helix	trans	-52.6	-42.1	-175.5	-172.5	176.1	178.1	0	0	112.7	V577	E575-V577 VanDerWaalsContact C-N 3.27Å; E575-V577 PolarHBondContact O-N 2.99Å
576	E	89.9	Confident	91.5	Very high	158 Å²	158	71.3 Å²	71.3	74%	0.738	35%	0.354	S	S	*	.	H	α-helix	trans	-64	-28.2	-179.1	-62	-175.3	-179.9	0	0	113.7	E574	E574-E576 VanDerWaalsContact C-N 3.25Å; E574-E576 PolarHBondContact O-N 3.02Å
577	V	92.7	Very high	92.1	Very high	17 Å²	17	67.8 Å²	67.8	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-112.9	-6.7	-176	-60.2	0	0	0	0	113.6	L562 L573 E574 E575 P580 A581	L562-V577 HydrophobicContact CD2-CB 4.18Å; L562-V577 HydrophobicContact CD2-CG1 4.14Å; L562-V577 HydrophobicContact CD2-CG2 4.25Å; L573-V577 HydrophobicContact CD2-CG2 4.47Å; E574-V577 HydrophobicContact CB-CG2 4.13Å; E574-V577 WeakPolarHBondContact O-CG2 3.29Å; E574-V577 PolarHBondContact O-N 3.5Å; E575-V577 VanDerWaalsContact C-N 3.27Å; E575-V577 PolarHBondContact O-N 2.99Å; V577-P580 WeakPolarHBondContact O-CD 3.31Å; V577-A581 WeakPolarHBondContact O-CB 3.17Å; V577-A581 PolarHBondContact O-N 3.32Å
578	L	94.3	Very high	92.9	Very high	28 Å²	28	65.4 Å²	65.4	15%	0.147	31%	0.31	C	S	.	.	H	α-helix	trans	-55.1	-61.9	-177.4	176.1	64.7	0	0	0	112.4	L573 E574 A581 L582 Y620 A627	L573-L578 HydrophobicContact CB-CB 4.28Å; L573-L578 HydrophobicContact CB-CD1 3.82Å; L573-L578 HydrophobicContact CD1-CD1 3.91Å; L573-L578 HydrophobicContact CG-CD1 4.49Å; E574-L578 WeakPolarHBondContact O-CB 3.31Å; E574-L578 PolarHBondContact O-N 3.42Å; L578-A581 PolarHBondContact O-N 3.43Å; L578-L582 HydrophobicContact CD1-CD1 4Å; L578-L582 WeakPolarHBondContact O-CG 3.31Å; L578-L582 PolarHBondContact O-N 2.94Å; L578-L582 VanDerWaalsContact O-N 3.17Å; L578-Y620 HydrophobicContact CD1-CE1 3.58Å; L578-A627 HydrophobicContact CD1-CB 3.9Å; L578-A627 HydrophobicContact CD2-CB 4.04Å; L578-A627 HydrophobicContact CG-CB 4.4Å
579	R	95	Very high	93.4	Very high	114 Å²	114	58.5 Å²	58.5	43%	0.43	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-49.3	179.4	178.4	170.2	178.1	59	1.4	111.4	A581 L582 V583 A630 V631 E634	R579-A581 VanDerWaalsContact C-N 3.32Å; R579-A581 PolarHBondContact O-N 3.26Å; R579-L582 PolarHBondContact O-N 2.9Å; R579-V583 HydrophobicContact CG-CG2 3.98Å; R579-V583 WeakPolarHBondContact O-CB 3.47Å; R579-V583 VanDerWaalsContact O-CG2 3.25Å; R579-V583 WeakPolarHBondContact O-CG2 3.4Å; R579-V583 PolarHBondContact O-N 3.05Å; R579-A630 HydrophobicContact CB-CB 4.45Å; R579-A630 WeakPolarHBondContact CD-O 3.36Å; R579-A630 PolarHBondContact NH1-O 3.36Å; R579-V631 HydrophobicContact CG-CG1 4.15Å; R579-E634 IonicContact CZ-OE2 3.67Å; R579-E634 IonicContact NH1-OE1 2.81Å; R579-E634 IonicContact NH1-OE2 3.21Å; R579-E634 PolarHBondContact NH1-OE2 3.16Å; R579-E634 IonicContact NH2-OE1 3.87Å; R579-E634 IonicContact NH2-OE2 3.26Å
580	P	95.7	Very high	93.9	Very high	41 Å²	41	59.6 Å²	59.6	27%	0.266	28%	0.275	S	S	.	.	H	α-helix	trans	-54.4	-41.8	176.6	-28.8	35.7	0	0	0	114.2	F510 F558 V577 A584	F510-P580 HydrophobicContact CD2-CB 4.38Å; F510-P580 HydrophobicContact CE2-CB 3.98Å; F510-P580 WeakPolarHBondContact CE2-O 3.28Å; F558-P580 HydrophobicContact CE1-CB 4.13Å; F558-P580 HydrophobicContact CZ-CB 3.77Å; V577-P580 WeakPolarHBondContact O-CD 3.31Å; P580-A584 WeakPolarHBondContact O-CB 3.47Å; P580-A584 PolarHBondContact O-N 3.39Å
581	A	96.1	Very high	94.2	Very high	3 Å²	3	57.7 Å²	57.7	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-46.5	179.8	0	0	0	0	0	112.8	F558 L559 L562 L573 V577 L578 R579 A584 R585	F558-A581 HydrophobicContact CE1-CB 4.4Å; L559-A581 HydrophobicContact CD2-CB 4.27Å; L562-A581 HydrophobicContact CD1-CB 3.66Å; L573-A581 HydrophobicContact CD1-CB 3.86Å; L573-A581 HydrophobicContact CD2-CB 3.94Å; V577-A581 WeakPolarHBondContact O-CB 3.17Å; V577-A581 PolarHBondContact O-N 3.32Å; L578-A581 PolarHBondContact O-N 3.43Å; R579-A581 VanDerWaalsContact C-N 3.32Å; R579-A581 PolarHBondContact O-N 3.26Å; A581-A584 PolarHBondContact O-N 2.88Å; A581-R585 WeakPolarHBondContact O-CG 3.48Å; A581-R585 PolarHBondContact O-N 3.48Å
582	L	96.7	Very high	94.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-40.5	178.5	-66.8	178.7	0	0	0	111.6	L573 L578 R579 R585 F586 Y616 Y620 A627 V631	L573-L582 HydrophobicContact CD1-CD2 4.38Å; L573-L582 HydrophobicContact CD1-CG 4.32Å; L578-L582 HydrophobicContact CD1-CD1 4Å; L578-L582 WeakPolarHBondContact O-CG 3.31Å; L578-L582 PolarHBondContact O-N 2.94Å; L578-L582 VanDerWaalsContact O-N 3.17Å; R579-L582 PolarHBondContact O-N 2.9Å; L582-R585 PolarHBondContact O-N 3.19Å; L582-F586 WeakPolarHBondContact O-CB 3.19Å; L582-F586 PolarHBondContact O-N 3.24Å; L582-Y616 HydrophobicContact CD2-CD1 4.45Å; L582-Y616 HydrophobicContact CD2-CE1 4.13Å; L582-Y620 HydrophobicContact CD1-CD1 3.97Å; L582-Y620 HydrophobicContact CD1-CE1 4.32Å; L582-Y620 HydrophobicContact CD2-CD1 3.86Å; L582-Y620 HydrophobicContact CD2-CG 3.97Å; L582-Y620 HydrophobicContact CG-CD1 4.43Å; L582-A627 HydrophobicContact CD1-CB 4.37Å; L582-V631 HydrophobicContact CB-CG1 3.79Å; L582-V631 HydrophobicContact CB-CG2 4.46Å; L582-V631 HydrophobicContact CD1-CG1 4.16Å; L582-V631 HydrophobicContact CD1-CG2 3.79Å
583	V	96.8	Very high	94.8	Very high	14 Å²	14	46.3 Å²	46.3	9%	0.085	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-43.5	172.8	172.4	0	0	0	0	110.7	F510 R579 R585 F586 R587 V631 E634	F510-V583 HydrophobicContact CZ-CG1 4.25Å; R579-V583 HydrophobicContact CG-CG2 3.98Å; R579-V583 WeakPolarHBondContact O-CB 3.47Å; R579-V583 VanDerWaalsContact O-CG2 3.25Å; R579-V583 WeakPolarHBondContact O-CG2 3.4Å; R579-V583 PolarHBondContact O-N 3.05Å; V583-R585 PolarHBondContact O-N 3.41Å; V583-F586 WeakPolarHBondContact O-CB 3.41Å; V583-F586 PolarHBondContact O-N 3.19Å; V583-R587 HydrophobicContact CG1-CG 4.01Å; V583-R587 WeakPolarHBondContact O-CB 3.44Å; V583-R587 WeakPolarHBondContact O-CG 3.27Å; V583-R587 PolarHBondContact O-N 3.07Å; V583-V631 HydrophobicContact CG2-CG1 4.28Å; V583-E634 HydrophobicContact CG2-CG 4.27Å
584	A	97.3	Very high	94.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-44.3	177.2	0	0	0	0	0	111.7	F510 F555 F558 L559 P580 A581 F586 R587 V588	F510-A584 HydrophobicContact CE2-CB 4.28Å; F555-A584 HydrophobicContact CB-CB 4.35Å; F555-A584 HydrophobicContact CD1-CB 3.67Å; F555-A584 HydrophobicContact CE1-CB 4.39Å; F555-A584 HydrophobicContact CG-CB 4.3Å; F558-A584 HydrophobicContact CD1-CB 4.01Å; F558-A584 HydrophobicContact CE1-CB 4.33Å; L559-A584 HydrophobicContact CD1-CB 4.35Å; L559-A584 HydrophobicContact CD2-CB 4.03Å; L559-A584 HydrophobicContact CG-CB 4.11Å; P580-A584 WeakPolarHBondContact O-CB 3.47Å; P580-A584 PolarHBondContact O-N 3.39Å; A581-A584 PolarHBondContact O-N 2.88Å; A584-F586 PolarHBondContact O-N 3.18Å; A584-R587 PolarHBondContact O-N 3.41Å; A584-V588 WeakPolarHBondContact O-CB 3.42Å; A584-V588 VanDerWaalsContact O-CG2 3.26Å; A584-V588 WeakPolarHBondContact O-CG2 3.35Å; A584-V588 PolarHBondContact O-N 3.04Å
585	R	97.1	Very high	94.7	Very high	48 Å²	48	44 Å²	44	18%	0.181	20%	0.203	C	C	.	.	H	α-helix	trans	-57.2	-49.9	173.8	-73.6	-74	-172.8	-172.8	-0.9	111.7	L559 A581 L582 V583 R587 V588 A589 N613 Y616 V617	L559-R585 HydrophobicContact CD1-CG 4.07Å; L559-R585 HydrophobicContact CD2-CG 4.04Å; A581-R585 WeakPolarHBondContact O-CG 3.48Å; A581-R585 PolarHBondContact O-N 3.48Å; L582-R585 PolarHBondContact O-N 3.19Å; V583-R585 PolarHBondContact O-N 3.41Å; R585-R587 PolarHBondContact O-N 3.04Å; R585-V588 PolarHBondContact O-N 3.01Å; R585-A589 PolarHBondContact O-N 3.31Å; R585-N613 WeakPolarHBondContact CD-OD1 3.35Å; R585-N613 PolarHBondContact NH1-OD1 3.2Å; R585-N613 WeakPolarHBondContact O-CB 3.43Å; R585-Y616 HydrophobicContact CB-CD1 4.43Å; R585-Y616 HydrophobicContact CG-CD1 3.76Å; R585-Y616 HydrophobicContact CG-CE1 4.12Å; R585-Y616 HydrophobicContact CG-CG 4.49Å; R585-V617 HydrophobicContact CB-CG2 3.77Å
586	F	97.6	Very high	94.6	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-58.6	-45.1	176.3	169.9	-103.4	0	0	0	112.5	L582 V583 A584 A589 R590 Y614 V617 E634 L637 S638	L582-F586 WeakPolarHBondContact O-CB 3.19Å; L582-F586 PolarHBondContact O-N 3.24Å; V583-F586 WeakPolarHBondContact O-CB 3.41Å; V583-F586 PolarHBondContact O-N 3.19Å; A584-F586 PolarHBondContact O-N 3.18Å; F586-A589 WeakPolarHBondContact O-CB 3.28Å; F586-A589 PolarHBondContact O-N 3.05Å; F586-R590 VanDerWaalsContact CE1-CD 3.47Å; F586-R590 HydrophobicContact CE1-CG 4.37Å; F586-R590 HydrophobicContact CE2-CG 4.35Å; F586-R590 VanDerWaalsContact CZ-CD 3.42Å; F586-R590 HydrophobicContact CZ-CG 4.18Å; F586-R590 PolarHBondContact O-N 3.16Å; F586-Y614 HydrophobicContact CD2-CD1 4.07Å; F586-Y614 AromaticContact CD2-CE1 3.6Å; F586-Y614 HydrophobicContact CD2-CE1 3.6Å; F586-Y614 AromaticContact CE2-CE1 3.8Å; F586-Y614 HydrophobicContact CE2-CE1 3.8Å; F586-V617 HydrophobicContact CB-CG2 4.4Å; F586-E634 HydrophobicContact CB-CB 4.21Å; F586-E634 HydrophobicContact CB-CG 4.26Å; F586-E634 HydrophobicContact CD1-CB 4.12Å; F586-E634 HydrophobicContact CD1-CG 3.53Å; F586-E634 HydrophobicContact CD2-CB 4.12Å; F586-E634 HydrophobicContact CD2-CG 4.42Å; F586-E634 HydrophobicContact CE1-CB 4.49Å; F586-E634 HydrophobicContact CE1-CG 3.84Å; F586-E634 HydrophobicContact CG-CB 3.9Å; F586-E634 HydrophobicContact CG-CG 3.83Å; F586-E634 HydrophobicContact CZ-CG 4.4Å; F586-L637 HydrophobicContact CE2-CB 3.78Å; F586-L637 HydrophobicContact CE2-CD1 4.23Å; F586-L637 HydrophobicContact CZ-CB 4.18Å; F586-L637 HydrophobicContact CZ-CD1 3.75Å; F586-S638 WeakPolarHBondContact CD2-OG 3.39Å
587	R	96.9	Very high	94.5	Very high	70 Å²	70	32 Å²	32	26%	0.264	15%	0.151	S	C	.	.	H	α-helix	trans	-64.9	-44.1	179.2	-68.3	-74.2	179.4	172.1	0.2	111.6	F555 V583 A584 R585 A589 R590 L591	F555-R587 HydrophobicContact CD2-CB 3.97Å; F555-R587 HydrophobicContact CE1-CB 4.49Å; F555-R587 HydrophobicContact CE2-CB 3.61Å; F555-R587 HydrophobicContact CE2-CG 4.19Å; F555-R587 HydrophobicContact CZ-CB 3.91Å; F555-R587 HydrophobicContact CZ-CG 4.03Å; V583-R587 HydrophobicContact CG1-CG 4.01Å; V583-R587 WeakPolarHBondContact O-CB 3.44Å; V583-R587 WeakPolarHBondContact O-CG 3.27Å; V583-R587 PolarHBondContact O-N 3.07Å; A584-R587 PolarHBondContact O-N 3.41Å; R585-R587 PolarHBondContact O-N 3.04Å; R587-A589 VanDerWaalsContact C-N 3.27Å; R587-A589 PolarHBondContact O-N 3.46Å; R587-R590 PolarHBondContact O-N 3.17Å; R587-L591 WeakPolarHBondContact O-CB 3.33Å; R587-L591 WeakPolarHBondContact O-CD1 3.09Å; R587-L591 VanDerWaalsContact O-CG 3.25Å; R587-L591 WeakPolarHBondContact O-CG 3.35Å; R587-L591 PolarHBondContact O-N 2.95Å
588	V	97.2	Very high	94.1	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-56.6	-42.8	173.1	169.6	0	0	0	0	110.7	F555 A584 R585 R590 L591 H592	F555-V588 HydrophobicContact CB-CG2 3.47Å; F555-V588 VanDerWaalsContact CB-CG2 3.47Å; F555-V588 HydrophobicContact CG-CG2 4.3Å; A584-V588 WeakPolarHBondContact O-CB 3.42Å; A584-V588 VanDerWaalsContact O-CG2 3.26Å; A584-V588 WeakPolarHBondContact O-CG2 3.35Å; A584-V588 PolarHBondContact O-N 3.04Å; R585-V588 PolarHBondContact O-N 3.01Å; V588-R590 PolarHBondContact O-N 3.47Å; V588-L591 PolarHBondContact O-N 2.91Å; V588-H592 PolarHBondContact O-CD2 3.24Å; V588-H592 PolarHBondContact O-N 3.42Å
589	A	96.6	Very high	94	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-43.9	177.2	0	0	0	0	0	113	R585 F586 R587 S593 A610 N613 Y614	R585-A589 PolarHBondContact O-N 3.31Å; F586-A589 WeakPolarHBondContact O-CB 3.28Å; F586-A589 PolarHBondContact O-N 3.05Å; R587-A589 VanDerWaalsContact C-N 3.27Å; R587-A589 PolarHBondContact O-N 3.46Å; A589-S593 WeakPolarHBondContact O-CB 3.4Å; A589-S593 PolarHBondContact O-N 3.22Å; A589-S593 PolarHBondContact O-OG 3.48Å; A589-A610 WeakPolarHBondContact CB-O 3.44Å; A589-A610 VanDerWaalsContact O-CB 3.29Å; A589-A610 WeakPolarHBondContact O-CB 3.41Å; A589-N613 HydrophobicContact CB-CB 3.7Å; A589-Y614 HydrophobicContact CB-CD1 3.7Å; A589-Y614 HydrophobicContact CB-CD2 3.65Å; A589-Y614 HydrophobicContact CB-CE1 3.62Å; A589-Y614 HydrophobicContact CB-CE2 3.55Å; A589-Y614 HydrophobicContact CB-CG 3.73Å
590	R	95.1	Very high	93.7	Very high	92 Å²	92	35 Å²	35	35%	0.347	19%	0.191	S	C	.	.	H	α-helix	trans	-63.2	-44	175.3	-73.3	-174.2	73.8	-174	5.4	112.1	F586 R587 V588 S593 K594 Y614	F586-R590 VanDerWaalsContact CE1-CD 3.47Å; F586-R590 HydrophobicContact CE1-CG 4.37Å; F586-R590 HydrophobicContact CE2-CG 4.35Å; F586-R590 VanDerWaalsContact CZ-CD 3.42Å; F586-R590 HydrophobicContact CZ-CG 4.18Å; F586-R590 PolarHBondContact O-N 3.16Å; R587-R590 PolarHBondContact O-N 3.17Å; V588-R590 PolarHBondContact O-N 3.47Å; R590-S593 WeakPolarHBondContact O-CB 3.31Å; R590-S593 PolarHBondContact O-N 2.73Å; R590-K594 WeakPolarHBondContact O-CG 3.3Å; R590-K594 PolarHBondContact O-N 2.9Å; R590-Y614 HydrophobicContact CG-CE1 4.44Å; R590-Y614 WeakPolarHBondContact CG-OH 3.49Å
591	L	95	Very high	93.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61.5	-48.7	179.6	-71.5	164	0	0	0	111.1	M520 C548 S551 A552 F555 R587 V588 S593 K594 L595	M520-L591 HydrophobicContact CE-CD2 3.92Å; C548-L591 PolarHBondContact SG-O 3.28Å; S551-L591 WeakPolarHBondContact OG-CD1 3.41Å; A552-L591 HydrophobicContact CB-CB 4.33Å; A552-L591 HydrophobicContact CB-CD1 4.06Å; F555-L591 HydrophobicContact CD2-CD1 3.93Å; F555-L591 HydrophobicContact CE2-CD1 4.2Å; R587-L591 WeakPolarHBondContact O-CB 3.33Å; R587-L591 WeakPolarHBondContact O-CD1 3.09Å; R587-L591 VanDerWaalsContact O-CG 3.25Å; R587-L591 WeakPolarHBondContact O-CG 3.35Å; R587-L591 PolarHBondContact O-N 2.95Å; V588-L591 PolarHBondContact O-N 2.91Å; L591-S593 VanDerWaalsContact C-N 3.27Å; L591-S593 PolarHBondContact O-N 3.32Å; L591-K594 PolarHBondContact O-N 3.44Å; L591-L595 PolarHBondContact O-N 3.13Å
592	H	94.8	Very high	93.4	Very high	24 Å²	24	39.1 Å²	39.1	11%	0.111	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-36.8	174.6	-82.6	-64.5	0	0	0	112.8	V588 K594 N606 A610	V588-H592 PolarHBondContact O-CD2 3.24Å; V588-H592 PolarHBondContact O-N 3.42Å; H592-K594 VanDerWaalsContact C-N 3.28Å; H592-K594 PolarHBondContact O-N 3.01Å; H592-N606 PolarHBondContact ND1-OD1 3.31Å; H592-A610 HydrophobicContact CB-CB 4.09Å
593	S	92.6	Very high	93.1	Very high	35 Å²	35	42.4 Å²	42.4	25%	0.245	23%	0.232	C	C	.	.	H	α-helix	trans	-67.4	-26.8	175.8	-59.5	0	0	0	0	113.5	A589 R590 L591 A610	A589-S593 WeakPolarHBondContact O-CB 3.4Å; A589-S593 PolarHBondContact O-N 3.22Å; A589-S593 PolarHBondContact O-OG 3.48Å; R590-S593 WeakPolarHBondContact O-CB 3.31Å; R590-S593 PolarHBondContact O-N 2.73Å; L591-S593 VanDerWaalsContact C-N 3.27Å; L591-S593 PolarHBondContact O-N 3.32Å; S593-A610 VanDerWaalsContact OG-CB 3.23Å; S593-A610 WeakPolarHBondContact OG-CB 3.38Å
594	K	90.5	Very high	93	Very high	58 Å²	58	43.1 Å²	43.1	25%	0.252	24%	0.235	S	C	.	.	H	α-helix	trans	-86	-20.2	-179.2	-78.6	-177.8	172.7	-176.3	0	113.7	M520 D521 F544 R590 L591 H592 I596	M520-K594 HydrophobicContact CE-CD 4.01Å; M520-K594 HydrophobicContact SD-CD 4.19Å; D521-K594 IonicContact OD1-NZ 2.9Å; D521-K594 PolarHBondContact OD1-NZ 3.36Å; F544-K594 WeakPolarHBondContact CE1-O 3.39Å; F544-K594 HydrophobicContact CZ-CB 4.32Å; R590-K594 WeakPolarHBondContact O-CG 3.3Å; R590-K594 PolarHBondContact O-N 2.9Å; L591-K594 PolarHBondContact O-N 3.44Å; H592-K594 VanDerWaalsContact C-N 3.28Å; H592-K594 PolarHBondContact O-N 3.01Å; K594-I596 PolarHBondContact O-N 3.43Å
595	L	90.9	Very high	92.9	Very high	34 Å²	34	47.3 Å²	47.3	18%	0.178	26%	0.255	C	S	.	.			trans	-57.3	129.1	-177.2	-78.5	170.8	0	0	0	112.4	N545 C548 L591 N606	N545-L595 HydrophobicContact CB-CD2 4.13Å; C548-L595 HydrophobicContact CB-CD2 3.83Å; L591-L595 PolarHBondContact O-N 3.13Å; L595-N606 WeakPolarHBondContact CD1-OD1 3.28Å
596	I	87.8	Confident	92.7	Very high	57 Å²	57	45.8 Å²	45.8	29%	0.292	25%	0.25	S	S	.	.			trans	-96.1	115.3	-177.9	-57	172.7	0	0	0	108.7	L536 I541 F544 N545 K594	L536-I596 HydrophobicContact CD1-CD1 4Å; I541-I596 HydrophobicContact CD1-CG2 4.33Å; I541-I596 HydrophobicContact CG1-CG2 4.42Å; I541-I596 HydrophobicContact CG2-CB 4.07Å; I541-I596 HydrophobicContact CG2-CG2 3.94Å; F544-I596 HydrophobicContact CD1-CD1 3.88Å; F544-I596 HydrophobicContact CD1-CG1 4.2Å; F544-I596 HydrophobicContact CE1-CD1 3.96Å; F544-I596 HydrophobicContact CE1-CG1 4.02Å; N545-I596 PolarHBondContact ND2-O 3.13Å; N545-I596 PolarHBondContact OD1-N 2.95Å; K594-I596 PolarHBondContact O-N 3.43Å
597	S	87.1	Confident	92.6	Very high	30 Å²	30	46 Å²	46	21%	0.21	25%	0.252	C	S	.	.			trans	-135.1	140.6	175.2	179.5	0	0	0	0	110	S599 Q603	S597-S599 VanDerWaalsContact C-N 3.33Å; S597-S599 PolarHBondContact OG-N 3.42Å; S597-Q603 WeakPolarHBondContact O-CG 3.43Å; S597-Q603 PolarHBondContact O-NE2 2.96Å
598	S	85.5	Confident	92.6	Very high	122 Å²	122	45.1 Å²	45.1	85%	0.853	25%	0.252	S	S	*	.	S	Bend	trans	-81.4	-15.3	170.9	54	0	0	0	0	112.8	P600	S598-P600 WeakPolarHBondContact O-CD 2.93Å
599	S	90.9	Very high	92.5	Very high	46 Å²	46	50.2 Å²	50.2	32%	0.322	27%	0.271	S	S	.	.			trans	-86	114.4	-177	177.7	0	0	0	0	111	S597 P601 V602 Q603	S597-S599 VanDerWaalsContact C-N 3.33Å; S597-S599 PolarHBondContact OG-N 3.42Å; S599-P601 WeakPolarHBondContact OG-CD 3.26Å; S599-V602 PolarHBondContact O-N 3.07Å; S599-V602 VanDerWaalsContact O-N 3.14Å; S599-Q603 WeakPolarHBondContact O-CG 3.31Å; S599-Q603 PolarHBondContact O-N 3.36Å
600	P	89.9	Confident	92.5	Very high	54 Å²	54	50.2 Å²	50.2	35%	0.351	27%	0.271	S	S	.	.	H	α-helix	trans	-58.1	-39.5	-179.8	-23.5	33.9	0	0	0	114.8	S598 V602 Q603 L604 L652 M656	S598-P600 WeakPolarHBondContact O-CD 2.93Å; P600-V602 VanDerWaalsContact C-N 3.33Å; P600-V602 PolarHBondContact O-N 3.12Å; P600-Q603 PolarHBondContact O-N 3.06Å; P600-L604 WeakPolarHBondContact O-CB 3.25Å; P600-L604 PolarHBondContact O-N 3.05Å; P600-L652 HydrophobicContact CB-CD1 4.3Å; P600-M656 HydrophobicContact CB-CE 4.18Å; P600-M656 HydrophobicContact CB-CG 3.58Å; P600-M656 HydrophobicContact CB-SD 3.69Å
601	P	92.3	Very high	92.6	Very high	73 Å²	73	46.6 Å²	46.6	47%	0.474	26%	0.259	S	S	.	.	H	α-helix	trans	-57.7	-41.9	173	-26.4	34.1	0	0	0	113.8	S599 L604 E605 M656	S599-P601 WeakPolarHBondContact OG-CD 3.26Å; P601-L604 WeakPolarHBondContact O-CB 3.29Å; P601-L604 PolarHBondContact O-N 3.47Å; P601-E605 PolarHBondContact O-N 3.34Å; P601-M656 HydrophobicContact CB-CE 4.37Å; P601-M656 HydrophobicContact CG-CE 3.84Å
602	V	92.3	Very high	92.7	Very high	56 Å²	56	52.6 Å²	52.6	34%	0.339	29%	0.287	S	S	.	.	H	α-helix	trans	-70.7	-39.2	179.6	177	0	0	0	0	110.9	S599 P600 L604 E605 N606	S599-V602 PolarHBondContact O-N 3.07Å; S599-V602 VanDerWaalsContact O-N 3.14Å; P600-V602 VanDerWaalsContact C-N 3.33Å; P600-V602 PolarHBondContact O-N 3.12Å; V602-L604 VanDerWaalsContact C-N 3.27Å; V602-L604 PolarHBondContact O-N 2.95Å; V602-E605 PolarHBondContact O-N 2.96Å; V602-N606 WeakPolarHBondContact O-CB 3.31Å; V602-N606 PolarHBondContact O-N 3.41Å; V602-N606 PolarHBondContact O-ND2 2.84Å
603	Q	92.1	Very high	92.9	Very high	70 Å²	70	52 Å²	52	33%	0.327	28%	0.284	S	S	.	.	H	α-helix	trans	-59	-42	172	-69	178.8	15.2	0	0	111.2	S597 S599 P600 N606 L607 L652	S597-Q603 WeakPolarHBondContact O-CG 3.43Å; S597-Q603 PolarHBondContact O-NE2 2.96Å; S599-Q603 WeakPolarHBondContact O-CG 3.31Å; S599-Q603 PolarHBondContact O-N 3.36Å; P600-Q603 PolarHBondContact O-N 3.06Å; Q603-N606 PolarHBondContact O-N 3.33Å; Q603-L607 VanDerWaalsContact O-CG 3.28Å; Q603-L607 WeakPolarHBondContact O-CG 3.06Å; Q603-L607 PolarHBondContact O-N 2.81Å; Q603-L652 HydrophobicContact CB-CD2 3.76Å
604	L	93.8	Very high	93.1	Very high	28 Å²	28	50.8 Å²	50.8	15%	0.147	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-45.3	179.1	-178.8	62.6	0	0	0	111.8	P600 P601 V602 L607 N608 I649 L652 K653 M656	P600-L604 WeakPolarHBondContact O-CB 3.25Å; P600-L604 PolarHBondContact O-N 3.05Å; P601-L604 WeakPolarHBondContact O-CB 3.29Å; P601-L604 PolarHBondContact O-N 3.47Å; V602-L604 VanDerWaalsContact C-N 3.27Å; V602-L604 PolarHBondContact O-N 2.95Å; L604-L607 PolarHBondContact O-N 3.46Å; L604-N608 PolarHBondContact O-N 3.49Å; L604-N608 PolarHBondContact O-ND2 3.49Å; L604-N608 VanDerWaalsContact O-ND2 3.13Å; L604-I649 HydrophobicContact CD1-CG2 3.74Å; L604-L652 HydrophobicContact CB-CD2 3.96Å; L604-L652 HydrophobicContact CD1-CD2 4.49Å; L604-K653 HydrophobicContact CD1-CD 4.49Å; L604-K653 HydrophobicContact CD1-CG 3.91Å; L604-K653 HydrophobicContact CD2-CG 4.04Å; L604-M656 HydrophobicContact CD2-SD 4.3Å
605	E	94.7	Very high	93.5	Very high	89 Å²	89	52.1 Å²	52.1	42%	0.416	28%	0.28	S	S	.	.	H	α-helix	trans	-58.3	-47.9	175.8	-173.9	-177.8	170.3	0	0	111.7	P601 V602 L607 N608 R609	P601-E605 PolarHBondContact O-N 3.34Å; V602-E605 PolarHBondContact O-N 2.96Å; E605-L607 PolarHBondContact O-N 3.06Å; E605-N608 PolarHBondContact O-N 3.11Å; E605-R609 PolarHBondContact O-N 3.06Å; E605-R609 IonicContact OE1-CZ 2.89Å; E605-R609 VanDerWaalsContact OE1-CZ 3.24Å; E605-R609 IonicContact OE1-NE 3.29Å; E605-R609 IonicContact OE1-NH1 3.76Å; E605-R609 IonicContact OE1-NH2 3.72Å; E605-R609 PolarHBondContact OE1-NH2 3.4Å
606	N	93.9	Very high	93.8	Very high	16 Å²	16	53 Å²	53	9%	0.086	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-44.3	177.8	-76.5	-26.6	0	0	0	112.4	H592 L595 V602 Q603 N608 R609 A610	H592-N606 PolarHBondContact ND1-OD1 3.31Å; L595-N606 WeakPolarHBondContact CD1-OD1 3.28Å; V602-N606 WeakPolarHBondContact O-CB 3.31Å; V602-N606 PolarHBondContact O-N 3.41Å; V602-N606 PolarHBondContact O-ND2 2.84Å; Q603-N606 PolarHBondContact O-N 3.33Å; N606-N608 VanDerWaalsContact C-N 3.35Å; N606-N608 PolarHBondContact O-N 2.99Å; N606-R609 PolarHBondContact O-N 3.18Å; N606-A610 WeakPolarHBondContact O-CB 3.32Å; N606-A610 PolarHBondContact O-N 2.91Å
607	L	95.4	Very high	94.2	Very high	11 Å²	11	50.3 Å²	50.3	6%	0.058	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-36.4	178.2	-69.2	173.2	0	0	0	112.4	Q603 L604 E605 A610 L611 L645 K648 I649 L652	Q603-L607 VanDerWaalsContact O-CG 3.28Å; Q603-L607 WeakPolarHBondContact O-CG 3.06Å; Q603-L607 PolarHBondContact O-N 2.81Å; L604-L607 PolarHBondContact O-N 3.46Å; E605-L607 PolarHBondContact O-N 3.06Å; L607-A610 PolarHBondContact O-N 3.29Å; L607-L611 WeakPolarHBondContact O-CB 3.45Å; L607-L611 PolarHBondContact O-N 2.91Å; L607-L645 HydrophobicContact CD2-CD2 4Å; L607-K648 HydrophobicContact CD1-CD 4.3Å; L607-K648 HydrophobicContact CD1-CG 4.18Å; L607-K648 HydrophobicContact CD2-CD 4.16Å; L607-I649 HydrophobicContact CB-CD1 4.14Å; L607-I649 HydrophobicContact CB-CG1 3.67Å; L607-I649 HydrophobicContact CD1-CG1 4.29Å; L607-L652 HydrophobicContact CD1-CD2 4.19Å
608	N	96.1	Very high	94.7	Very high	50 Å²	50	49.6 Å²	49.6	27%	0.267	26%	0.262	S	S	.	.	H	α-helix	trans	-65.8	-46	175	-71.2	-36.1	0	0	0	111.2	L604 E605 N606 A610 L611 E612	L604-N608 PolarHBondContact O-N 3.49Å; L604-N608 PolarHBondContact O-ND2 3.49Å; L604-N608 VanDerWaalsContact O-ND2 3.13Å; E605-N608 PolarHBondContact O-N 3.11Å; N606-N608 VanDerWaalsContact C-N 3.35Å; N606-N608 PolarHBondContact O-N 2.99Å; N608-A610 VanDerWaalsContact C-N 3.29Å; N608-A610 PolarHBondContact O-N 3.4Å; N608-L611 PolarHBondContact O-N 3.28Å; N608-L611 VanDerWaalsContact O-N 3.14Å; N608-E612 WeakPolarHBondContact O-CG 3.31Å; N608-E612 PolarHBondContact O-N 3.04Å
609	R	95.6	Very high	95.2	Very high	108 Å²	108	49.3 Å²	49.3	41%	0.408	25%	0.247	S	C	.	.	H	α-helix	trans	-59.7	-39.6	175.1	-73.4	-172.5	179.7	166.9	9.3	112.5	E605 N606 N613	E605-R609 PolarHBondContact O-N 3.06Å; E605-R609 IonicContact OE1-CZ 2.89Å; E605-R609 VanDerWaalsContact OE1-CZ 3.24Å; E605-R609 IonicContact OE1-NE 3.29Å; E605-R609 IonicContact OE1-NH1 3.76Å; E605-R609 IonicContact OE1-NH2 3.72Å; E605-R609 PolarHBondContact OE1-NH2 3.4Å; N606-R609 PolarHBondContact O-N 3.18Å; R609-N613 PolarHBondContact O-N 3.35Å; R609-N613 PolarHBondContact O-ND2 3.48Å
610	A	96.8	Very high	95.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-47.4	174.4	0	0	0	0	0	111.6	A589 H592 S593 N606 L607 N608 E612 N613 Y614 L645	A589-A610 WeakPolarHBondContact CB-O 3.44Å; A589-A610 VanDerWaalsContact O-CB 3.29Å; A589-A610 WeakPolarHBondContact O-CB 3.41Å; H592-A610 HydrophobicContact CB-CB 4.09Å; S593-A610 VanDerWaalsContact OG-CB 3.23Å; S593-A610 WeakPolarHBondContact OG-CB 3.38Å; N606-A610 WeakPolarHBondContact O-CB 3.32Å; N606-A610 PolarHBondContact O-N 2.91Å; L607-A610 PolarHBondContact O-N 3.29Å; N608-A610 VanDerWaalsContact C-N 3.29Å; N608-A610 PolarHBondContact O-N 3.4Å; A610-E612 PolarHBondContact O-N 2.95Å; A610-N613 PolarHBondContact O-N 3.48Å; A610-Y614 HydrophobicContact CB-CE2 4.41Å; A610-Y614 WeakPolarHBondContact O-CD2 3.45Å; A610-Y614 PolarHBondContact O-N 3.33Å; A610-L645 HydrophobicContact CB-CD1 4.08Å
611	L	97.7	Very high	95.8	Very high	17 Å²	17	45.6 Å²	45.6	9%	0.089	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-42.1	178.5	179.2	61	0	0	0	112.3	L607 N608 N613 Y614 K615 V642 L645 P646 I649	L607-L611 WeakPolarHBondContact O-CB 3.45Å; L607-L611 PolarHBondContact O-N 2.91Å; N608-L611 PolarHBondContact O-N 3.28Å; N608-L611 VanDerWaalsContact O-N 3.14Å; L611-N613 VanDerWaalsContact C-N 3.34Å; L611-N613 PolarHBondContact O-N 3.03Å; L611-Y614 PolarHBondContact O-N 3.01Å; L611-K615 HydrophobicContact CD1-CD 4.32Å; L611-K615 HydrophobicContact CD1-CG 4.17Å; L611-K615 HydrophobicContact CG-CD 4.21Å; L611-K615 HydrophobicContact CG-CG 4.46Å; L611-K615 WeakPolarHBondContact O-CB 3.29Å; L611-K615 VanDerWaalsContact O-CG 3.28Å; L611-K615 WeakPolarHBondContact O-CG 3.36Å; L611-K615 PolarHBondContact O-N 2.73Å; L611-V642 HydrophobicContact CD1-CG2 4.41Å; L611-L645 HydrophobicContact CB-CB 4.5Å; L611-L645 HydrophobicContact CB-CD1 4.2Å; L611-L645 HydrophobicContact CD1-CB 4.2Å; L611-P646 HydrophobicContact CD1-CG 4.14Å; L611-P646 HydrophobicContact CD2-CG 4.03Å; L611-I649 HydrophobicContact CB-CD1 4.28Å; L611-I649 HydrophobicContact CD2-CD1 3.82Å
612	E	97.1	Very high	95.9	Very high	127 Å²	127	48.9 Å²	48.9	59%	0.593	23%	0.229	S	C	*	.	H	α-helix	trans	-58.6	-45.1	176.8	-74.8	168.3	-172.5	0	0	111.9	N608 A610 K615 Y616	N608-E612 WeakPolarHBondContact O-CG 3.31Å; N608-E612 PolarHBondContact O-N 3.04Å; A610-E612 PolarHBondContact O-N 2.95Å; E612-K615 PolarHBondContact O-N 3.43Å; E612-Y616 PolarHBondContact O-N 3.28Å
613	N	97.5	Very high	96.1	Very high	11 Å²	11	49.4 Å²	49.4	6%	0.059	24%	0.24	C	C	.	.	H	α-helix	trans	-71.2	-40.1	-179.7	-77.6	-77.7	0	0	0	112.9	R585 A589 R609 A610 L611 K615 Y616 V617	R585-N613 WeakPolarHBondContact CD-OD1 3.35Å; R585-N613 PolarHBondContact NH1-OD1 3.2Å; R585-N613 WeakPolarHBondContact O-CB 3.43Å; A589-N613 HydrophobicContact CB-CB 3.7Å; R609-N613 PolarHBondContact O-N 3.35Å; R609-N613 PolarHBondContact O-ND2 3.48Å; A610-N613 PolarHBondContact O-N 3.48Å; L611-N613 VanDerWaalsContact C-N 3.34Å; L611-N613 PolarHBondContact O-N 3.03Å; N613-K615 VanDerWaalsContact C-N 3.34Å; N613-Y616 WeakPolarHBondContact O-CB 3.15Å; N613-Y616 PolarHBondContact O-N 3.49Å; N613-V617 PolarHBondContact O-N 3.15Å
614	Y	98.3	Very high	96.2	Very high	9 Å²	9	48 Å²	48	4%	0.035	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-40.8	173.2	-71.7	-57.2	0	0	0	111.9	F586 A589 R590 A610 L611 Y616 V617 V618 S638 M641 L645	F586-Y614 HydrophobicContact CD2-CD1 4.07Å; F586-Y614 AromaticContact CD2-CE1 3.6Å; F586-Y614 HydrophobicContact CD2-CE1 3.6Å; F586-Y614 AromaticContact CE2-CE1 3.8Å; F586-Y614 HydrophobicContact CE2-CE1 3.8Å; A589-Y614 HydrophobicContact CB-CD1 3.7Å; A589-Y614 HydrophobicContact CB-CD2 3.65Å; A589-Y614 HydrophobicContact CB-CE1 3.62Å; A589-Y614 HydrophobicContact CB-CE2 3.55Å; A589-Y614 HydrophobicContact CB-CG 3.73Å; R590-Y614 HydrophobicContact CG-CE1 4.44Å; R590-Y614 WeakPolarHBondContact CG-OH 3.49Å; A610-Y614 HydrophobicContact CB-CE2 4.41Å; A610-Y614 WeakPolarHBondContact O-CD2 3.45Å; A610-Y614 PolarHBondContact O-N 3.33Å; L611-Y614 PolarHBondContact O-N 3.01Å; Y614-Y616 VanDerWaalsContact C-N 3.3Å; Y614-Y616 PolarHBondContact O-N 2.85Å; Y614-V617 PolarHBondContact O-N 3.45Å; Y614-V618 WeakPolarHBondContact O-CG2 3.35Å; Y614-V618 PolarHBondContact O-N 3.36Å; Y614-S638 WeakPolarHBondContact CD1-OG 3.48Å; Y614-M641 HydrophobicContact CD1-CB 4.25Å; Y614-M641 HydrophobicContact CD2-CB 3.69Å; Y614-M641 HydrophobicContact CD2-CG 4.46Å; Y614-M641 HydrophobicContact CE1-CB 4.26Å; Y614-M641 HydrophobicContact CE1-CG 4.29Å; Y614-M641 HydrophobicContact CE2-CB 3.72Å; Y614-M641 HydrophobicContact CE2-CE 3.89Å; Y614-M641 HydrophobicContact CE2-CG 4Å; Y614-M641 HydrophobicContact CG-CB 3.96Å; Y614-L645 HydrophobicContact CD2-CD1 3.63Å; Y614-L645 HydrophobicContact CE2-CD1 3.8Å
615	K	97.8	Very high	96.1	Very high	86 Å²	86	51 Å²	51	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-60.1	-40.9	175	-79.6	-178.8	175.7	-175.9	0	112.1	L611 E612 N613 V617 V618 Q619 V642	L611-K615 HydrophobicContact CD1-CD 4.32Å; L611-K615 HydrophobicContact CD1-CG 4.17Å; L611-K615 HydrophobicContact CG-CD 4.21Å; L611-K615 HydrophobicContact CG-CG 4.46Å; L611-K615 WeakPolarHBondContact O-CB 3.29Å; L611-K615 VanDerWaalsContact O-CG 3.28Å; L611-K615 WeakPolarHBondContact O-CG 3.36Å; L611-K615 PolarHBondContact O-N 2.73Å; E612-K615 PolarHBondContact O-N 3.43Å; N613-K615 VanDerWaalsContact C-N 3.34Å; K615-V617 VanDerWaalsContact C-N 3.33Å; K615-V617 PolarHBondContact O-N 2.86Å; K615-V618 PolarHBondContact O-N 2.99Å; K615-Q619 VanDerWaalsContact O-CB 3.31Å; K615-Q619 WeakPolarHBondContact O-CB 3.43Å; K615-Q619 WeakPolarHBondContact O-CG 3.43Å; K615-Q619 PolarHBondContact O-N 3.37Å; K615-V642 HydrophobicContact CB-CG2 4.46Å; K615-V642 HydrophobicContact CG-CG1 4.09Å; K615-V642 HydrophobicContact CG-CG2 3.79Å
616	Y	96.4	Very high	95.9	Very high	53 Å²	53	52.5 Å²	52.5	21%	0.208	26%	0.261	C	S	.	.	H	α-helix	trans	-57.3	-47.3	177.4	-177.4	-83.3	0	0	0	111.5	L582 R585 E612 N613 Y614 V618 Q619 Y620	L582-Y616 HydrophobicContact CD2-CD1 4.45Å; L582-Y616 HydrophobicContact CD2-CE1 4.13Å; R585-Y616 HydrophobicContact CB-CD1 4.43Å; R585-Y616 HydrophobicContact CG-CD1 3.76Å; R585-Y616 HydrophobicContact CG-CE1 4.12Å; R585-Y616 HydrophobicContact CG-CG 4.49Å; E612-Y616 PolarHBondContact O-N 3.28Å; N613-Y616 WeakPolarHBondContact O-CB 3.15Å; N613-Y616 PolarHBondContact O-N 3.49Å; Y614-Y616 VanDerWaalsContact C-N 3.3Å; Y614-Y616 PolarHBondContact O-N 2.85Å; Y616-V618 PolarHBondContact O-N 3.35Å; Y616-Q619 PolarHBondContact O-N 3.46Å; Y616-Y620 HydrophobicContact CE1-CD2 4.35Å; Y616-Y620 VanDerWaalsContact O-CB 3.26Å; Y616-Y620 WeakPolarHBondContact O-CB 3.39Å; Y616-Y620 PolarHBondContact O-N 3.06Å
617	V	97.1	Very high	95.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-47.2	179.7	176.5	0	0	0	0	111.1	R585 F586 N613 Y614 K615 C621 L635	R585-V617 HydrophobicContact CB-CG2 3.77Å; F586-V617 HydrophobicContact CB-CG2 4.4Å; N613-V617 PolarHBondContact O-N 3.15Å; Y614-V617 PolarHBondContact O-N 3.45Å; K615-V617 VanDerWaalsContact C-N 3.33Å; K615-V617 PolarHBondContact O-N 2.86Å; V617-C621 PolarHBondContact O-N 2.92Å; V617-C621 VanDerWaalsContact O-N 3.14Å; V617-C621 PolarHBondContact O-SG 2.89Å; V617-L635 HydrophobicContact CG1-CD1 4.46Å
618	V	97.6	Very high	95.8	Very high	15 Å²	15	52.6 Å²	52.6	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-52.5	178.4	176.3	0	0	0	0	110.9	Y614 K615 Y616 Y620 C621 E622 L635 V642	Y614-V618 WeakPolarHBondContact O-CG2 3.35Å; Y614-V618 PolarHBondContact O-N 3.36Å; K615-V618 PolarHBondContact O-N 2.99Å; Y616-V618 PolarHBondContact O-N 3.35Å; V618-Y620 VanDerWaalsContact C-N 3.31Å; V618-Y620 PolarHBondContact O-N 2.88Å; V618-C621 PolarHBondContact O-N 2.95Å; V618-E622 HydrophobicContact CG1-CG 4.35Å; V618-E622 WeakPolarHBondContact O-CG 3.49Å; V618-E622 PolarHBondContact O-N 3.22Å; V618-L635 HydrophobicContact CB-CD1 4.48Å; V618-L635 HydrophobicContact CG2-CD1 4.21Å; V618-V642 HydrophobicContact CG2-CG2 4.17Å
619	Q	96.6	Very high	95.7	Very high	116 Å²	116	54.5 Å²	54.5	54%	0.542	29%	0.288	S	S	.	.	H	α-helix	trans	-62.7	-37.6	-177.4	-72.3	173.1	-14.3	0	0	112.5	K615 Y616 E622 A623	K615-Q619 VanDerWaalsContact O-CB 3.31Å; K615-Q619 WeakPolarHBondContact O-CB 3.43Å; K615-Q619 WeakPolarHBondContact O-CG 3.43Å; K615-Q619 PolarHBondContact O-N 3.37Å; Y616-Q619 PolarHBondContact O-N 3.46Å; Q619-E622 PolarHBondContact O-N 3.27Å; Q619-A623 WeakPolarHBondContact O-CB 3.37Å; Q619-A623 PolarHBondContact O-N 3.49Å
620	Y	96.2	Very high	95.6	Very high	16 Å²	16	51 Å²	51	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-44.9	177	-170.6	-82.7	0	0	0	111.1	L573 L578 L582 Y616 V618 E622 A623 H624 A627	L573-Y620 WeakPolarHBondContact CB-OH 3.42Å; L573-Y620 HydrophobicContact CD1-CD2 4.47Å; L573-Y620 HydrophobicContact CD1-CE1 4.11Å; L573-Y620 HydrophobicContact CD1-CE2 3.87Å; L573-Y620 HydrophobicContact CG-CE2 4.02Å; L573-Y620 PolarHBondContact N-OH 2.56Å; L578-Y620 HydrophobicContact CD1-CE1 3.58Å; L582-Y620 HydrophobicContact CD1-CD1 3.97Å; L582-Y620 HydrophobicContact CD1-CE1 4.32Å; L582-Y620 HydrophobicContact CD2-CD1 3.86Å; L582-Y620 HydrophobicContact CD2-CG 3.97Å; L582-Y620 HydrophobicContact CG-CD1 4.43Å; Y616-Y620 HydrophobicContact CE1-CD2 4.35Å; Y616-Y620 VanDerWaalsContact O-CB 3.26Å; Y616-Y620 WeakPolarHBondContact O-CB 3.39Å; Y616-Y620 PolarHBondContact O-N 3.06Å; V618-Y620 VanDerWaalsContact C-N 3.31Å; V618-Y620 PolarHBondContact O-N 2.88Å; Y620-E622 VanDerWaalsContact C-N 3.35Å; Y620-A623 PolarHBondContact O-N 3.07Å; Y620-H624 HydrophobicContact CD1-CB 4.45Å; Y620-H624 HydrophobicContact CE1-CB 4.06Å; Y620-H624 AromaticContact CE1-CD2 3.85Å; Y620-H624 AromaticContact CE2-CD2 3.79Å; Y620-H624 AromaticContact CZ-CD2 3.65Å; Y620-H624 WeakPolarHBondContact O-CB 3.46Å; Y620-H624 PolarHBondContact O-CD2 3.35Å; Y620-H624 PolarHBondContact O-N 3.05Å; Y620-A627 HydrophobicContact CD1-CB 4.23Å; Y620-A627 HydrophobicContact CE1-CB 3.92Å
621	C	96.3	Very high	95.5	Very high	7 Å²	7	51 Å²	51	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-71	-29.1	178.6	-61.1	0	0	0	0	112.9	V617 V618 H624 P625 A628 L635	V617-C621 PolarHBondContact O-N 2.92Å; V617-C621 VanDerWaalsContact O-N 3.14Å; V617-C621 PolarHBondContact O-SG 2.89Å; V618-C621 PolarHBondContact O-N 2.95Å; C621-H624 CarbonylContact O-C 3.59Å; C621-H624 VanDerWaalsContact O-C 3.29Å; C621-P625 WeakPolarHBondContact O-CA 3.44Å; C621-A628 HydrophobicContact CB-CB 4.36Å; C621-L635 HydrophobicContact CB-CD1 3.85Å; C621-L635 HydrophobicContact CB-CD2 3.76Å; C621-L635 HydrophobicContact CB-CG 4.43Å
622	E	95.8	Very high	95.4	Very high	141 Å²	141	57.2 Å²	57.2	66%	0.659	31%	0.311	S	S	*	.	H	α-helix	trans	-67.3	-38.2	171	-74.4	175.8	166.2	0	0	111.8	V618 Q619 Y620	V618-E622 HydrophobicContact CG1-CG 4.35Å; V618-E622 WeakPolarHBondContact O-CG 3.49Å; V618-E622 PolarHBondContact O-N 3.22Å; Q619-E622 PolarHBondContact O-N 3.27Å; Y620-E622 VanDerWaalsContact C-N 3.35Å
623	A	94.9	Very high	95.3	Very high	68 Å²	68	55.3 Å²	55.3	56%	0.562	31%	0.308	S	S	*	.	H	α-helix	trans	-76.4	-30.4	177	0	0	0	0	0	113.1	Q619 Y620	Q619-A623 WeakPolarHBondContact O-CB 3.37Å; Q619-A623 PolarHBondContact O-N 3.49Å; Y620-A623 PolarHBondContact O-N 3.07Å
624	H	94.1	Very high	95.3	Very high	41 Å²	41	55.7 Å²	55.7	19%	0.19	31%	0.309	C	S	.	.			trans	-128.8	80	-177.5	-60	-73.9	0	0	0	110.5	E571 H572 Y620 C621 E626 A627	E571-H624 PolarHBondContact O-NE2 3.49Å; H572-H624 AromaticContact ND1-CE1 3.96Å; H572-H624 AromaticContact ND1-ND1 3.96Å; Y620-H624 HydrophobicContact CD1-CB 4.45Å; Y620-H624 HydrophobicContact CE1-CB 4.06Å; Y620-H624 AromaticContact CE1-CD2 3.85Å; Y620-H624 AromaticContact CE2-CD2 3.79Å; Y620-H624 AromaticContact CZ-CD2 3.65Å; Y620-H624 WeakPolarHBondContact O-CB 3.46Å; Y620-H624 PolarHBondContact O-CD2 3.35Å; Y620-H624 PolarHBondContact O-N 3.05Å; C621-H624 CarbonylContact O-C 3.59Å; C621-H624 VanDerWaalsContact O-C 3.29Å; H624-E626 IonicContact CG-OE1 3.18Å; H624-E626 IonicContact ND1-OE1 3.11Å; H624-E626 PolarHBondContact ND1-OE1 3.43Å; H624-E626 PolarHBondContact O-N 2.93Å; H624-E626 VanDerWaalsContact O-N 3.13Å; H624-A627 HydrophobicContact CB-CB 4.22Å; H624-A627 VanDerWaalsContact O-CB 3.31Å; H624-A627 WeakPolarHBondContact O-CB 3.49Å; H624-A627 PolarHBondContact O-N 3.16Å
625	P	92.7	Very high	95.2	Very high	90 Å²	90	56.8 Å²	56.8	58%	0.584	32%	0.316	S	S	*	.	H	α-helix	trans	-57.4	-29.1	-176	-26.4	36	0	0	0	114.1	C621 A627 A628	C621-P625 WeakPolarHBondContact O-CA 3.44Å; P625-A627 PolarHBondContact O-N 2.86Å; P625-A628 WeakPolarHBondContact O-CB 3.45Å; P625-A628 PolarHBondContact O-N 2.9Å
626	E	90.8	Very high	95.2	Very high	121 Å²	121	58.3 Å²	58.3	57%	0.565	32%	0.324	S	S	*	.	H	α-helix	trans	-60.2	-27.8	174.4	65.3	-81.4	-172	0	0	113.2	H624	H624-E626 IonicContact CG-OE1 3.18Å; H624-E626 IonicContact ND1-OE1 3.11Å; H624-E626 PolarHBondContact ND1-OE1 3.43Å; H624-E626 PolarHBondContact O-N 2.93Å; H624-E626 VanDerWaalsContact O-N 3.13Å
627	A	93.1	Very high	95.2	Very high	1 Å²	1	59 Å²	59	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-76.7	-21.7	178.8	0	0	0	0	0	113.2	L578 L582 Y620 H624 P625 A629 A630	L578-A627 HydrophobicContact CD1-CB 3.9Å; L578-A627 HydrophobicContact CD2-CB 4.04Å; L578-A627 HydrophobicContact CG-CB 4.4Å; L582-A627 HydrophobicContact CD1-CB 4.37Å; Y620-A627 HydrophobicContact CD1-CB 4.23Å; Y620-A627 HydrophobicContact CE1-CB 3.92Å; H624-A627 HydrophobicContact CB-CB 4.22Å; H624-A627 VanDerWaalsContact O-CB 3.31Å; H624-A627 WeakPolarHBondContact O-CB 3.49Å; H624-A627 PolarHBondContact O-N 3.16Å; P625-A627 PolarHBondContact O-N 2.86Å; A627-A629 VanDerWaalsContact C-N 3.32Å; A627-A629 PolarHBondContact O-N 3.12Å; A627-A630 WeakPolarHBondContact O-CB 3.48Å; A627-A630 PolarHBondContact O-N 3.42Å
628	A	93.7	Very high	95.3	Very high	27 Å²	27	59 Å²	59	22%	0.223	33%	0.331	C	S	.	.	H	α-helix	trans	-61.8	-39.5	-174.9	0	0	0	0	0	112.2	C621 P625 A630 V631 E632 L635	C621-A628 HydrophobicContact CB-CB 4.36Å; P625-A628 WeakPolarHBondContact O-CB 3.45Å; P625-A628 PolarHBondContact O-N 2.9Å; A628-A630 PolarHBondContact O-N 3.01Å; A628-V631 CarbonylContact O-C 3.59Å; A628-V631 PolarHBondContact O-N 3.45Å; A628-V631 VanDerWaalsContact O-N 3.09Å; A628-E632 PolarHBondContact O-N 3.23Å; A628-E632 VanDerWaalsContact O-N 3.15Å; A628-L635 HydrophobicContact CB-CD2 3.85Å
629	A	93.8	Very high	95.3	Very high	90 Å²	90	61.9 Å²	61.9	74%	0.744	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-61.1	-28.9	177.1	0	0	0	0	0	112.4	A627 V631	A627-A629 VanDerWaalsContact C-N 3.32Å; A627-A629 PolarHBondContact O-N 3.12Å; A629-V631 VanDerWaalsContact C-N 3.31Å; A629-V631 PolarHBondContact O-N 3Å
630	A	93.4	Very high	95.3	Very high	35 Å²	35	61.5 Å²	61.5	29%	0.289	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-77.7	-13.4	179.6	0	0	0	0	0	113.3	R579 A627 A628	R579-A630 HydrophobicContact CB-CB 4.45Å; R579-A630 WeakPolarHBondContact CD-O 3.36Å; R579-A630 PolarHBondContact NH1-O 3.36Å; A627-A630 WeakPolarHBondContact O-CB 3.48Å; A627-A630 PolarHBondContact O-N 3.42Å; A628-A630 PolarHBondContact O-N 3.01Å
631	V	95.3	Very high	95.3	Very high	0 Å²	0	63 Å²	63	0%	0	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-145.2	35.4	-174.3	-69.8	0	0	0	0	113.5	R579 L582 V583 A628 A629 T633 E634 L635	R579-V631 HydrophobicContact CG-CG1 4.15Å; L582-V631 HydrophobicContact CB-CG1 3.79Å; L582-V631 HydrophobicContact CB-CG2 4.46Å; L582-V631 HydrophobicContact CD1-CG1 4.16Å; L582-V631 HydrophobicContact CD1-CG2 3.79Å; V583-V631 HydrophobicContact CG2-CG1 4.28Å; A628-V631 CarbonylContact O-C 3.59Å; A628-V631 PolarHBondContact O-N 3.45Å; A628-V631 VanDerWaalsContact O-N 3.09Å; A629-V631 VanDerWaalsContact C-N 3.31Å; A629-V631 PolarHBondContact O-N 3Å; V631-T633 PolarHBondContact O-N 3.43Å; V631-E634 HydrophobicContact CB-CB 4.29Å; V631-E634 PolarHBondContact O-N 2.94Å; V631-E634 VanDerWaalsContact O-N 3.12Å; V631-L635 VanDerWaalsContact O-CB 3.31Å; V631-L635 WeakPolarHBondContact O-CB 3.41Å; V631-L635 PolarHBondContact O-N 3.02Å
632	E	95.8	Very high	95.3	Very high	147 Å²	147	64.5 Å²	64.5	69%	0.687	36%	0.364	S	S	*	.	H	α-helix	trans	-50.3	-53	-172.6	-173.4	176.5	-171.4	0	0	113.2	A628 E634 L635 E636	A628-E632 PolarHBondContact O-N 3.23Å; A628-E632 VanDerWaalsContact O-N 3.15Å; E632-E634 PolarHBondContact O-N 2.97Å; E632-L635 PolarHBondContact O-N 3.01Å; E632-E636 PolarHBondContact O-N 3.26Å
633	T	94.3	Very high	95.3	Very high	88 Å²	88	60.1 Å²	60.1	54%	0.54	36%	0.357	S	S	.	.	H	α-helix	trans	-64.6	-41.7	179.8	-49	0	0	0	0	112.5	V631 L635 L637	V631-T633 PolarHBondContact O-N 3.43Å; T633-L635 VanDerWaalsContact C-N 3.34Å; T633-L637 HydrophobicContact CG2-CD1 4.26Å; T633-L637 WeakPolarHBondContact O-CG 3.33Å; T633-L637 PolarHBondContact O-N 3.17Å
634	E	97.1	Very high	95.3	Very high	18 Å²	18	61.7 Å²	61.7	8%	0.084	36%	0.355	C	S	.	.	H	α-helix	trans	-67.9	-36.3	178.3	-68	84.4	-170.1	0	0	111.7	R579 V583 F586 V631 E632 S638	R579-E634 IonicContact CZ-OE2 3.67Å; R579-E634 IonicContact NH1-OE1 2.81Å; R579-E634 IonicContact NH1-OE2 3.21Å; R579-E634 PolarHBondContact NH1-OE2 3.16Å; R579-E634 IonicContact NH2-OE1 3.87Å; R579-E634 IonicContact NH2-OE2 3.26Å; V583-E634 HydrophobicContact CG2-CG 4.27Å; F586-E634 HydrophobicContact CB-CB 4.21Å; F586-E634 HydrophobicContact CB-CG 4.26Å; F586-E634 HydrophobicContact CD1-CB 4.12Å; F586-E634 HydrophobicContact CD1-CG 3.53Å; F586-E634 HydrophobicContact CD2-CB 4.12Å; F586-E634 HydrophobicContact CD2-CG 4.42Å; F586-E634 HydrophobicContact CE1-CB 4.49Å; F586-E634 HydrophobicContact CE1-CG 3.84Å; F586-E634 HydrophobicContact CG-CB 3.9Å; F586-E634 HydrophobicContact CG-CG 3.83Å; F586-E634 HydrophobicContact CZ-CG 4.4Å; V631-E634 HydrophobicContact CB-CB 4.29Å; V631-E634 PolarHBondContact O-N 2.94Å; V631-E634 VanDerWaalsContact O-N 3.12Å; E632-E634 PolarHBondContact O-N 2.97Å; E634-S638 WeakPolarHBondContact O-CB 3.49Å; E634-S638 PolarHBondContact O-N 3.14Å; E634-S638 PolarHBondContact O-OG 2.87Å
635	L	97.4	Very high	95.3	Very high	33 Å²	33	60 Å²	60	17%	0.173	35%	0.347	C	S	.	.	H	α-helix	trans	-68.8	-45.2	178.2	176.9	60.1	0	0	0	111.8	V617 V618 C621 A628 V631 E632 T633 S638 T639	V617-L635 HydrophobicContact CG1-CD1 4.46Å; V618-L635 HydrophobicContact CB-CD1 4.48Å; V618-L635 HydrophobicContact CG2-CD1 4.21Å; C621-L635 HydrophobicContact CB-CD1 3.85Å; C621-L635 HydrophobicContact CB-CD2 3.76Å; C621-L635 HydrophobicContact CB-CG 4.43Å; A628-L635 HydrophobicContact CB-CD2 3.85Å; V631-L635 VanDerWaalsContact O-CB 3.31Å; V631-L635 WeakPolarHBondContact O-CB 3.41Å; V631-L635 PolarHBondContact O-N 3.02Å; E632-L635 PolarHBondContact O-N 3.01Å; T633-L635 VanDerWaalsContact C-N 3.34Å; L635-S638 PolarHBondContact O-N 3.38Å; L635-T639 WeakPolarHBondContact O-CB 3.46Å; L635-T639 PolarHBondContact O-N 3.2Å; L635-T639 PolarHBondContact O-OG1 2.7Å
636	E	97.1	Very high	95.4	Very high	118 Å²	118	57.6 Å²	57.6	55%	0.551	33%	0.332	S	S	*	.	H	α-helix	trans	-56.3	-54.3	176.4	-176.9	179.7	-164	0	0	110.5	E632 S638 T639 E640	E632-E636 PolarHBondContact O-N 3.26Å; E636-S638 VanDerWaalsContact C-N 3.32Å; E636-S638 PolarHBondContact O-N 2.86Å; E636-T639 WeakPolarHBondContact O-CB 3.47Å; E636-T639 PolarHBondContact O-N 3.1Å; E636-T639 VanDerWaalsContact O-N 3.15Å; E636-E640 PolarHBondContact O-N 3.29Å; E636-E640 VanDerWaalsContact O-N 3.1Å
637	L	96.7	Very high	95.6	Very high	67 Å²	67	56.6 Å²	56.6	35%	0.351	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-37.2	178.8	-67	174.7	0	0	0	112.4	F586 T633 T639 M641	F586-L637 HydrophobicContact CE2-CB 3.78Å; F586-L637 HydrophobicContact CE2-CD1 4.23Å; F586-L637 HydrophobicContact CZ-CB 4.18Å; F586-L637 HydrophobicContact CZ-CD1 3.75Å; T633-L637 HydrophobicContact CG2-CD1 4.26Å; T633-L637 WeakPolarHBondContact O-CG 3.33Å; T633-L637 PolarHBondContact O-N 3.17Å; L637-T639 VanDerWaalsContact C-N 3.34Å; L637-M641 WeakPolarHBondContact O-CB 3.42Å; L637-M641 WeakPolarHBondContact O-CG 3.45Å; L637-M641 PolarHBondContact O-N 3.19Å
638	S	97.9	Very high	95.6	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-42.1	175.7	-62.4	0	0	0	0	111.3	F586 Y614 E634 L635 E636 M641 V642	F586-S638 WeakPolarHBondContact CD2-OG 3.39Å; Y614-S638 WeakPolarHBondContact CD1-OG 3.48Å; E634-S638 WeakPolarHBondContact O-CB 3.49Å; E634-S638 PolarHBondContact O-N 3.14Å; E634-S638 PolarHBondContact O-OG 2.87Å; L635-S638 PolarHBondContact O-N 3.38Å; E636-S638 VanDerWaalsContact C-N 3.32Å; E636-S638 PolarHBondContact O-N 2.86Å; S638-M641 PolarHBondContact O-N 3.45Å; S638-V642 VanDerWaalsContact O-CG2 3.27Å; S638-V642 WeakPolarHBondContact O-CG2 3.5Å; S638-V642 PolarHBondContact O-N 3.41Å
639	T	97.6	Very high	95.6	Very high	75 Å²	75	61 Å²	61	46%	0.46	34%	0.344	S	S	.	.	H	α-helix	trans	-61.5	-46.7	179.1	-57.6	0	0	0	0	111.1	L635 E636 L637 M641 V642 G643	L635-T639 WeakPolarHBondContact O-CB 3.46Å; L635-T639 PolarHBondContact O-N 3.2Å; L635-T639 PolarHBondContact O-OG1 2.7Å; E636-T639 WeakPolarHBondContact O-CB 3.47Å; E636-T639 PolarHBondContact O-N 3.1Å; E636-T639 VanDerWaalsContact O-N 3.15Å; L637-T639 VanDerWaalsContact C-N 3.34Å; T639-M641 PolarHBondContact O-N 2.76Å; T639-V642 PolarHBondContact O-N 3.49Å; T639-G643 PolarHBondContact O-N 2.78Å
640	E	97.2	Very high	95.6	Very high	109 Å²	109	61 Å²	61	51%	0.509	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-46.8	174.4	-66.9	-171.1	166.3	0	0	112	E636 V642 G643 L644	E636-E640 PolarHBondContact O-N 3.29Å; E636-E640 VanDerWaalsContact O-N 3.1Å; E640-V642 VanDerWaalsContact C-N 3.33Å; E640-V642 PolarHBondContact O-N 3.14Å; E640-G643 WeakPolarHBondContact O-CA 3.38Å; E640-G643 PolarHBondContact O-N 3.35Å; E640-L644 WeakPolarHBondContact O-CG 3.42Å; E640-L644 PolarHBondContact O-N 3.38Å
641	M	96.8	Very high	95.6	Very high	48 Å²	48	67.7 Å²	67.7	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-66.6	-33	-178.1	-71.4	-61.2	-71.4	0	0	112.8	Y614 L637 S638 T639 G643 L644 L645	Y614-M641 HydrophobicContact CD1-CB 4.25Å; Y614-M641 HydrophobicContact CD2-CB 3.69Å; Y614-M641 HydrophobicContact CD2-CG 4.46Å; Y614-M641 HydrophobicContact CE1-CB 4.26Å; Y614-M641 HydrophobicContact CE1-CG 4.29Å; Y614-M641 HydrophobicContact CE2-CB 3.72Å; Y614-M641 HydrophobicContact CE2-CE 3.89Å; Y614-M641 HydrophobicContact CE2-CG 4Å; Y614-M641 HydrophobicContact CG-CB 3.96Å; L637-M641 WeakPolarHBondContact O-CB 3.42Å; L637-M641 WeakPolarHBondContact O-CG 3.45Å; L637-M641 PolarHBondContact O-N 3.19Å; S638-M641 PolarHBondContact O-N 3.45Å; T639-M641 PolarHBondContact O-N 2.76Å; M641-G643 VanDerWaalsContact C-N 3.26Å; M641-G643 PolarHBondContact O-N 3.03Å; M641-L644 PolarHBondContact O-N 3.14Å; M641-L645 HydrophobicContact CE-CD1 4.04Å; M641-L645 HydrophobicContact CE-CD2 3.71Å; M641-L645 HydrophobicContact CE-CG 3.75Å; M641-L645 VanDerWaalsContact O-CB 3.31Å; M641-L645 WeakPolarHBondContact O-CB 3.46Å; M641-L645 WeakPolarHBondContact O-CG 3.44Å; M641-L645 PolarHBondContact O-N 3.48Å
642	V	97.1	Very high	95.4	Very high	37 Å²	37	68.7 Å²	68.7	22%	0.224	36%	0.355	C	S	.	.	H	α-helix	trans	-63.3	-33.3	171.8	170.2	0	0	0	0	111.3	L611 K615 V618 S638 T639 E640 P646	L611-V642 HydrophobicContact CD1-CG2 4.41Å; K615-V642 HydrophobicContact CB-CG2 4.46Å; K615-V642 HydrophobicContact CG-CG1 4.09Å; K615-V642 HydrophobicContact CG-CG2 3.79Å; V618-V642 HydrophobicContact CG2-CG2 4.17Å; S638-V642 VanDerWaalsContact O-CG2 3.27Å; S638-V642 WeakPolarHBondContact O-CG2 3.5Å; S638-V642 PolarHBondContact O-N 3.41Å; T639-V642 PolarHBondContact O-N 3.49Å; E640-V642 VanDerWaalsContact C-N 3.33Å; E640-V642 PolarHBondContact O-N 3.14Å; V642-P646 WeakPolarHBondContact O-CD 3.5Å; V642-P646 WeakPolarHBondContact O-CG 3.34Å
643	G	94.3	Very high	95.2	Very high	49 Å²	49	66.4 Å²	66.4	51%	0.505	34%	0.342	S	S	.	.	H	α-helix	trans	-73.6	-38.6	172.8	0	0	0	0	0	113.8	T639 E640 M641	T639-G643 PolarHBondContact O-N 2.78Å; E640-G643 WeakPolarHBondContact O-CA 3.38Å; E640-G643 PolarHBondContact O-N 3.35Å; M641-G643 VanDerWaalsContact C-N 3.26Å; M641-G643 PolarHBondContact O-N 3.03Å
644	L	94.9	Very high	95.1	Very high	101 Å²	101	66 Å²	66	53%	0.529	34%	0.343	S	S	.	.	H	α-helix	trans	-87.6	-42.2	-171.3	-67.1	174.8	0	0	0	114.6	E640 M641 P646 L647 K648	E640-L644 WeakPolarHBondContact O-CG 3.42Å; E640-L644 PolarHBondContact O-N 3.38Å; M641-L644 PolarHBondContact O-N 3.14Å; L644-P646 VanDerWaalsContact C-CD 3.5Å; L644-L647 WeakPolarHBondContact O-CB 3.29Å; L644-L647 PolarHBondContact O-N 3.32Å; L644-K648 PolarHBondContact O-N 3.17Å
645	L	94	Very high	94.7	Very high	5 Å²	5	73.7 Å²	73.7	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-60.8	-39.2	-174.7	-74.6	-179.4	0	0	0	114.3	L607 A610 L611 Y614 M641 L647 K648 I649	L607-L645 HydrophobicContact CD2-CD2 4Å; A610-L645 HydrophobicContact CB-CD1 4.08Å; L611-L645 HydrophobicContact CB-CB 4.5Å; L611-L645 HydrophobicContact CB-CD1 4.2Å; L611-L645 HydrophobicContact CD1-CB 4.2Å; Y614-L645 HydrophobicContact CD2-CD1 3.63Å; Y614-L645 HydrophobicContact CE2-CD1 3.8Å; M641-L645 HydrophobicContact CE-CD1 4.04Å; M641-L645 HydrophobicContact CE-CD2 3.71Å; M641-L645 HydrophobicContact CE-CG 3.75Å; M641-L645 VanDerWaalsContact O-CB 3.31Å; M641-L645 WeakPolarHBondContact O-CB 3.46Å; M641-L645 WeakPolarHBondContact O-CG 3.44Å; M641-L645 PolarHBondContact O-N 3.48Å; L645-L647 PolarHBondContact O-N 2.92Å; L645-K648 PolarHBondContact O-N 2.71Å; L645-K648 VanDerWaalsContact O-N 3.08Å; L645-I649 WeakPolarHBondContact O-CG1 3.29Å; L645-I649 PolarHBondContact O-N 3.44Å
646	P	96.2	Very high	94.2	Very high	41 Å²	41	74 Å²	74	27%	0.266	37%	0.373	S	S	.	.	H	α-helix	trans	-57	-37	176.2	-26.8	36	0	0	0	113	L611 V642 L644 I649 N650	L611-P646 HydrophobicContact CD1-CG 4.14Å; L611-P646 HydrophobicContact CD2-CG 4.03Å; V642-P646 WeakPolarHBondContact O-CD 3.5Å; V642-P646 WeakPolarHBondContact O-CG 3.34Å; L644-P646 VanDerWaalsContact C-CD 3.5Å; P646-I649 PolarHBondContact O-N 2.73Å; P646-N650 WeakPolarHBondContact O-CB 3.38Å; P646-N650 VanDerWaalsContact O-CG 3.26Å; P646-N650 PolarHBondContact O-N 2.95Å; P646-N650 PolarHBondContact O-ND2 3.26Å
647	L	94.7	Very high	93.6	Very high	100 Å²	100	71.8 Å²	71.8	52%	0.524	38%	0.375	S	S	.	.	H	α-helix	trans	-65.1	-43.2	176.3	-58	176.9	0	0	0	111.2	L644 L645 N650 R651	L644-L647 WeakPolarHBondContact O-CB 3.29Å; L644-L647 PolarHBondContact O-N 3.32Å; L645-L647 PolarHBondContact O-N 2.92Å; L647-N650 PolarHBondContact O-N 3.29Å; L647-R651 VanDerWaalsContact O-CG 3.31Å; L647-R651 WeakPolarHBondContact O-CG 3.33Å; L647-R651 PolarHBondContact O-N 2.93Å
648	K	92.8	Very high	92.9	Very high	115 Å²	115	72.3 Å²	72.3	50%	0.5	39%	0.389	S	S	.	.	H	α-helix	trans	-65.4	-43	177.1	-170.2	176.4	179.5	-178.7	0	111.7	L607 L644 L645 R651 L652	L607-K648 HydrophobicContact CD1-CD 4.3Å; L607-K648 HydrophobicContact CD1-CG 4.18Å; L607-K648 HydrophobicContact CD2-CD 4.16Å; L644-K648 PolarHBondContact O-N 3.17Å; L645-K648 PolarHBondContact O-N 2.71Å; L645-K648 VanDerWaalsContact O-N 3.08Å; K648-R651 PolarHBondContact O-N 3.3Å; K648-L652 PolarHBondContact O-N 3.21Å
649	I	94.1	Very high	91.4	Very high	6 Å²	6	79.3 Å²	79.3	3%	0.031	43%	0.426	C	S	.	.	H	α-helix	trans	-59.4	-49.1	175.6	-74.6	160.3	0	0	0	110.7	L604 L607 L611 L645 P646 R651 L652 K653	L604-I649 HydrophobicContact CD1-CG2 3.74Å; L607-I649 HydrophobicContact CB-CD1 4.14Å; L607-I649 HydrophobicContact CB-CG1 3.67Å; L607-I649 HydrophobicContact CD1-CG1 4.29Å; L611-I649 HydrophobicContact CB-CD1 4.28Å; L611-I649 HydrophobicContact CD2-CD1 3.82Å; L645-I649 WeakPolarHBondContact O-CG1 3.29Å; L645-I649 PolarHBondContact O-N 3.44Å; P646-I649 PolarHBondContact O-N 2.73Å; I649-R651 PolarHBondContact O-N 2.88Å; I649-L652 PolarHBondContact O-N 3.46Å; I649-K653 HydrophobicContact CG2-CD 4.21Å; I649-K653 WeakPolarHBondContact O-CG 3.3Å; I649-K653 PolarHBondContact O-N 3.03Å
650	N	93.9	Very high	89.4	Confident	89 Å²	89	84.9 Å²	84.9	48%	0.476	45%	0.453	S	S	.	.	H	α-helix	trans	-63.5	-42.3	-179.9	-73.3	-23.1	0	0	0	111.8	P646 L647 L652 K653 S654	P646-N650 WeakPolarHBondContact O-CB 3.38Å; P646-N650 VanDerWaalsContact O-CG 3.26Å; P646-N650 PolarHBondContact O-N 2.95Å; P646-N650 PolarHBondContact O-ND2 3.26Å; L647-N650 PolarHBondContact O-N 3.29Å; N650-L652 VanDerWaalsContact C-N 3.32Å; N650-L652 PolarHBondContact O-N 2.98Å; N650-K653 PolarHBondContact O-N 3.46Å; N650-S654 PolarHBondContact O-N 3.17Å; N650-S654 PolarHBondContact O-OG 3.42Å; N650-S654 VanDerWaalsContact O-OG 3.09Å
651	R	92.4	Very high	89	Confident	176 Å²	176	83.7 Å²	83.7	66%	0.664	45%	0.45	S	S	*	.	H	α-helix	trans	-59.1	-41.7	174.3	-74.1	174.9	-176.2	174.4	3	112.4	L647 K648 I649 S654 R655	L647-R651 VanDerWaalsContact O-CG 3.31Å; L647-R651 WeakPolarHBondContact O-CG 3.33Å; L647-R651 PolarHBondContact O-N 2.93Å; K648-R651 PolarHBondContact O-N 3.3Å; I649-R651 PolarHBondContact O-N 2.88Å; R651-S654 PolarHBondContact O-N 3.28Å; R651-R655 WeakPolarHBondContact O-CG 3.36Å; R651-R655 PolarHBondContact O-N 3.48Å
652	L	91.3	Very high	88.6	Confident	21 Å²	21	85.5 Å²	85.5	11%	0.11	46%	0.461	C	S	.	.	H	α-helix	trans	-66.5	-45.4	177.6	-176.9	62.5	0	0	0	111.3	P600 Q603 L604 L607 K648 I649 N650 S654 R655 M656	P600-L652 HydrophobicContact CB-CD1 4.3Å; Q603-L652 HydrophobicContact CB-CD2 3.76Å; L604-L652 HydrophobicContact CB-CD2 3.96Å; L604-L652 HydrophobicContact CD1-CD2 4.49Å; L607-L652 HydrophobicContact CD1-CD2 4.19Å; K648-L652 PolarHBondContact O-N 3.21Å; I649-L652 PolarHBondContact O-N 3.46Å; N650-L652 VanDerWaalsContact C-N 3.32Å; N650-L652 PolarHBondContact O-N 2.98Å; L652-S654 VanDerWaalsContact C-N 3.32Å; L652-S654 PolarHBondContact O-N 3.45Å; L652-R655 PolarHBondContact O-N 3.1Å; L652-M656 HydrophobicContact CG-SD 4.12Å; L652-M656 VanDerWaalsContact O-CG 3.31Å; L652-M656 WeakPolarHBondContact O-CG 3.17Å; L652-M656 PolarHBondContact O-N 3.14Å
653	K	91.7	Very high	88.1	Confident	98 Å²	98	88.2 Å²	88.2	43%	0.426	47%	0.474	S	S	.	.	H	α-helix	trans	-57	-44.5	174.6	-72.9	-179.7	-179.6	179.8	0	111.7	L604 I649 N650 R655 M656 A657	L604-K653 HydrophobicContact CD1-CD 4.49Å; L604-K653 HydrophobicContact CD1-CG 3.91Å; L604-K653 HydrophobicContact CD2-CG 4.04Å; I649-K653 HydrophobicContact CG2-CD 4.21Å; I649-K653 WeakPolarHBondContact O-CG 3.3Å; I649-K653 PolarHBondContact O-N 3.03Å; N650-K653 PolarHBondContact O-N 3.46Å; K653-R655 PolarHBondContact O-N 2.54Å; K653-M656 PolarHBondContact O-N 3.36Å; K653-A657 WeakPolarHBondContact O-CB 3.01Å; K653-A657 PolarHBondContact O-N 3.12Å
654	S	91.1	Very high	87.7	Confident	81 Å²	81	90.5 Å²	90.5	57%	0.566	47%	0.473	S	S	*	.	H	α-helix	trans	-63	-40.4	176.7	-59.9	0	0	0	0	112.6	N650 R651 L652 A657 A658	N650-S654 PolarHBondContact O-N 3.17Å; N650-S654 PolarHBondContact O-OG 3.42Å; N650-S654 VanDerWaalsContact O-OG 3.09Å; R651-S654 PolarHBondContact O-N 3.28Å; L652-S654 VanDerWaalsContact C-N 3.32Å; L652-S654 PolarHBondContact O-N 3.45Å; S654-A657 PolarHBondContact O-N 3.36Å; S654-A658 WeakPolarHBondContact O-CB 3.36Å; S654-A658 PolarHBondContact O-N 3.19Å
655	R	89.3	Confident	87.3	Confident	178 Å²	178	89.9 Å²	89.9	67%	0.672	47%	0.469	S	S	*	.	H	α-helix	trans	-64.8	-40.2	174.5	-73.8	177.8	-177.7	-179.7	-0.5	112.4	R651 L652 K653 A657 A658 N659	R651-R655 WeakPolarHBondContact O-CG 3.36Å; R651-R655 PolarHBondContact O-N 3.48Å; L652-R655 PolarHBondContact O-N 3.1Å; K653-R655 PolarHBondContact O-N 2.54Å; R655-A657 VanDerWaalsContact C-N 3.35Å; R655-A658 PolarHBondContact O-N 2.77Å; R655-N659 WeakPolarHBondContact O-CB 3.29Å; R655-N659 PolarHBondContact O-N 3.18Å; R655-N659 VanDerWaalsContact O-N 3.14Å
656	M	87.3	Confident	86.8	Confident	40 Å²	40	95.5 Å²	95.5	20%	0.197	50%	0.499	C	S	.	.	H	α-helix	trans	-64.7	-40.3	175.8	-69.3	173.3	65.9	0	0	111.6	P600 P601 L604 L652 K653 A658 N659 N660	P600-M656 HydrophobicContact CB-CE 4.18Å; P600-M656 HydrophobicContact CB-CG 3.58Å; P600-M656 HydrophobicContact CB-SD 3.69Å; P601-M656 HydrophobicContact CB-CE 4.37Å; P601-M656 HydrophobicContact CG-CE 3.84Å; L604-M656 HydrophobicContact CD2-SD 4.3Å; L652-M656 HydrophobicContact CG-SD 4.12Å; L652-M656 VanDerWaalsContact O-CG 3.31Å; L652-M656 WeakPolarHBondContact O-CG 3.17Å; L652-M656 PolarHBondContact O-N 3.14Å; K653-M656 PolarHBondContact O-N 3.36Å; M656-A658 VanDerWaalsContact C-N 3.31Å; M656-A658 PolarHBondContact O-N 3.44Å; M656-N659 PolarHBondContact O-N 3.17Å; M656-N660 PolarHBondContact O-N 3.32Å
657	A	85.6	Confident	86.1	Confident	72 Å²	72	99.4 Å²	99.4	60%	0.595	52%	0.515	S	S	*	.	H	α-helix	trans	-70.8	-23.8	177	0	0	0	0	0	113.8	K653 S654 R655	K653-A657 WeakPolarHBondContact O-CB 3.01Å; K653-A657 PolarHBondContact O-N 3.12Å; S654-A657 PolarHBondContact O-N 3.36Å; R655-A657 VanDerWaalsContact C-N 3.35Å
658	A	80.8	Confident	85.5	Confident	78 Å²	78	99.4 Å²	99.4	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-87.1	-19.1	176.5	0	0	0	0	0	113.7	S654 R655 M656	S654-A658 WeakPolarHBondContact O-CB 3.36Å; S654-A658 PolarHBondContact O-N 3.19Å; R655-A658 PolarHBondContact O-N 2.77Å; M656-A658 VanDerWaalsContact C-N 3.31Å; M656-A658 PolarHBondContact O-N 3.44Å
659	N	67.3	Low	84.9	Confident	146 Å²	146	98.1 Å²	98.1	78%	0.781	52%	0.516	S	S	*	.	H	α-helix	trans	-101.1	-5.9	179.3	-73.9	-7.3	0	0	0	113.4	R655 M656	R655-N659 WeakPolarHBondContact O-CB 3.29Å; R655-N659 PolarHBondContact O-N 3.18Å; R655-N659 VanDerWaalsContact O-N 3.14Å; M656-N659 PolarHBondContact O-N 3.17Å
660	N	54.1	Low	84.1	Confident	192 Å²	192	106.5 Å²	106.5	100%	1.027	56%	0.56	S	S	*	*			trans	-96.5	0	167.1	-75.9	-14.3	0	0	0	109	M656	M656-N660 PolarHBondContact O-N 3.32Å

Retrieved 660 of 660 residues in 756.4 ms (Link to these results)

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