A0A087YIU7_POEFO Loading...

Adenine DNA glycosylase

Adenine glycosylase active on G-A mispairs. Involved in oxidative DNA damage repair. Initiates repair of A*oxoG to C*G by removing the inappropriately paired adenine base from the DNA backbone. Possesses both adenine and 2-OH-A DNA glycosylase activities.

AlphaFold DB , UniProt , Accession A0A087YIU7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 523 aa.

Structure Viewer

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(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	33.2	Very low	28.5	Very low	240 Å²	240	148.4 Å²	148.4	100%	1.182	81%	0.81	S	S	*	*				0	104.1	0	-70.3	-163.3	-103.8	0	0	107.7
2	S	28.5	Very low	28.2	Very low	100 Å²	100	152.3 Å²	152.3	70%	0.699	81%	0.814	S	S	*	*				71.5	121.3	118	-167.1	0	0	0	0	112.9
3	R	28.8	Very low	28	Very low	211 Å²	211	156.2 Å²	156.2	80%	0.796	82%	0.819	S	S	*	*			cis	-176.5	146.8	14.3	-110.8	171.6	-174.2	-164	2.1	108.4
4	L	29.2	Very low	27.8	Very low	111 Å²	111	150.5 Å²	150.5	58%	0.581	82%	0.817	S	S	*	*			trans	67.6	118.6	131.4	-62.2	164.5	0	0	0	120.3
5	R	29.6	Very low	27.7	Very low	223 Å²	223	156.5 Å²	156.5	84%	0.842	82%	0.823	S	S	*	*				82.3	150.4	101.7	-79.4	-173.4	-173.1	177.5	3.1	113.1
6	S	27.3	Very low	27.6	Very low	105 Å²	105	156 Å²	156	73%	0.734	82%	0.82	S	S	*	*			cis	-174.2	156.1	-13	-120.4	0	0	0	0	105.8
7	A	29	Very low	27.4	Very low	83 Å²	83	156.4 Å²	156.4	69%	0.686	82%	0.816	S	S	*	*			trans	70.6	118.5	138.6	0	0	0	0	0	123.1
8	V	26.4	Very low	27.2	Very low	134 Å²	134	154.8 Å²	154.8	81%	0.812	82%	0.815	S	S	*	*				63.5	128.8	123.6	-166.7	0	0	0	0	119.4
9	V	28	Very low	27	Very low	135 Å²	135	153.1 Å²	153.1	82%	0.818	81%	0.811	S	S	*	*				167.1	140.5	119.1	162.9	0	0	0	0	111.5
10	K	27.7	Very low	26.9	Very low	206 Å²	206	154.1 Å²	154.1	90%	0.896	81%	0.811	S	S	*	*			trans	-62.4	155.7	174.5	-67.8	168.1	171.8	172.6	0	113.7
11	G	26.4	Very low	26.7	Very low	84 Å²	84	152 Å²	152	87%	0.866	81%	0.805	S	S	*	*			trans	-178.7	121.7	159.3	0	0	0	0	0	114.5
12	K	25	Very low	26.3	Very low	196 Å²	196	147.7 Å²	147.7	85%	0.852	79%	0.792	S	S	*	*			trans	-93.1	149.3	-176.7	-112.7	175.4	178.8	172.5	0	111.5
13	K	25.6	Very low	26.2	Very low	202 Å²	202	149.7 Å²	149.7	88%	0.878	79%	0.793	S	S	*	*			trans	69.3	127.2	147.2	-74.1	-174.2	172.3	-173.5	0	120.3
14	G	24.4	Very low	26	Very low	77 Å²	77	151 Å²	151	79%	0.794	80%	0.798	S	S	*	*				139.5	100.8	129.8	0	0	0	0	0	116.4
15	R	26	Very low	25.8	Very low	240 Å²	240	152 Å²	152	91%	0.906	81%	0.809	S	S	*	*			trans	-178.1	115.3	144.8	-131.1	167.9	160	165.6	-6.2	109.1
16	L	26.8	Very low	25.6	Very low	149 Å²	149	152.7 Å²	152.7	78%	0.78	81%	0.811	S	S	*	*				54.1	87	76.8	-95	147	0	0	0	114.2
17	E	23.8	Very low	25.5	Very low	162 Å²	162	157.9 Å²	157.9	76%	0.757	82%	0.821	S	S	*	*				51.7	114.5	129.3	-76.2	-179.8	169.1	0	0	122.1
18	T	23.5	Very low	25.4	Very low	129 Å²	129	163.3 Å²	163.3	79%	0.791	83%	0.829	S	S	*	*			trans	54.7	127.1	133.9	40.9	0	0	0	0	118.3
19	V	24.4	Very low	25.5	Very low	121 Å²	121	162.5 Å²	162.5	73%	0.733	83%	0.83	S	S	*	*				-159.4	143.1	67.7	164	0	0	0	0	111.3
20	E	24.8	Very low	25.4	Very low	174 Å²	174	165.8 Å²	165.8	81%	0.813	83%	0.833	S	S	*	*			trans	11.8	138.8	156.6	-54.6	176.2	137.1	0	0	119.7
21	T	22.5	Very low	25.5	Very low	111 Å²	111	159.9 Å²	159.9	68%	0.681	82%	0.823	S	S	*	*				-176.6	123.9	53.1	-42.4	0	0	0	0	108.9
22	T	24.9	Very low	25.4	Very low	149 Å²	149	162 Å²	162	91%	0.914	82%	0.821	S	S	*	*			trans	-162.9	126.2	133.9	-16.2	0	0	0	0	111.1	R24	T22-R24 PolarHBondContact O-N 3.33Å
23	I	26.5	Very low	25.4	Very low	141 Å²	141	158.6 Å²	158.6	72%	0.723	82%	0.816	S	S	*	*			trans	-75.6	115.5	-166.1	-66.7	159	0	0	0	110.4	T25	I23-T25 HydrophobicContact CG2-CG2 4.04Å
24	R	24	Very low	25.5	Very low	240 Å²	240	158.1 Å²	158.1	91%	0.906	81%	0.814	S	S	*	*			trans	-97	107.3	156	-87.8	-178	166.7	-175.2	-3.3	107.9	T22 R26	T22-R24 PolarHBondContact O-N 3.33Å; R24-R26 PolarHBondContact O-N 3.14Å
25	T	25	Very low	25.6	Very low	132 Å²	132	163.3 Å²	163.3	81%	0.81	82%	0.818	S	S	*	*			trans	-66.6	102	173.4	31.1	0	0	0	0	110.2	I23 K27	I23-T25 HydrophobicContact CG2-CG2 4.04Å; T25-K27 PolarHBondContact O-N 3.3Å
26	R	25.1	Very low	25.6	Very low	236 Å²	236	159.8 Å²	159.8	89%	0.891	81%	0.811	S	S	*	*			trans	-61.6	124.1	165.3	-78.8	174	166	169.6	-4.9	109.5	R24 K28	R24-R26 PolarHBondContact O-N 3.14Å; R26-K28 PolarHBondContact O-N 3.25Å; R26-K28 VanDerWaalsContact O-N 3.15Å
27	K	26.3	Very low	25.6	Very low	214 Å²	214	157.8 Å²	157.8	93%	0.93	81%	0.807	S	S	*	*			trans	-64.3	110	164.9	-115.8	176	178.4	176.3	0	108.1	T25 S29	T25-K27 PolarHBondContact O-N 3.3Å; K27-S29 PolarHBondContact O-N 2.66Å
28	K	27.2	Very low	25.9	Very low	197 Å²	197	156.7 Å²	156.7	86%	0.857	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-60.7	125.7	174.5	-88.2	178.8	173.7	176.7	0	110.4	R26 K30	R26-K28 PolarHBondContact O-N 3.25Å; R26-K28 VanDerWaalsContact O-N 3.15Å; K28-K30 PolarHBondContact O-N 2.98Å
29	S	28.3	Very low	26.3	Very low	118 Å²	118	155.3 Å²	155.3	83%	0.825	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-48.6	118.5	153.5	42	0	0	0	0	110.5	K27	K27-S29 PolarHBondContact O-N 2.66Å
30	K	26	Very low	26.8	Very low	203 Å²	203	154.2 Å²	154.2	88%	0.883	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-88.9	126.2	166.4	-91.1	-175.1	174.1	-177.3	0	108.9	K28	K28-K30 PolarHBondContact O-N 2.98Å
31	A	28.5	Very low	27.4	Very low	83 Å²	83	150.3 Å²	150.3	69%	0.686	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-60.1	164.1	169.8	0	0	0	0	0	111.1	V33	A31-V33 PolarHBondContact O-N 3.08Å
32	P	24.2	Very low	28.3	Very low	127 Å²	127	152 Å²	152	83%	0.825	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66	124.4	-167	29.4	-30.8	0	0	0	109.1	K34	P32-K34 PolarHBondContact O-N 3.15Å; P32-K34 VanDerWaalsContact O-N 3.16Å
33	V	26.7	Very low	29.4	Very low	125 Å²	125	150.3 Å²	150.3	76%	0.758	78%	0.783	S	S	*	*			trans	-63.2	115.9	166.9	177.1	0	0	0	0	105.4	A31 E35	A31-V33 PolarHBondContact O-N 3.08Å; V33-E35 PolarHBondContact O-N 3.03Å
34	K	26.2	Very low	30.9	Very low	193 Å²	193	147.6 Å²	147.6	84%	0.839	78%	0.775	S	S	*	*			trans	-53.9	107.4	162.1	-89.7	179.9	171.2	-179.2	0	106.2	P32 E36	P32-K34 PolarHBondContact O-N 3.15Å; P32-K34 VanDerWaalsContact O-N 3.16Å; K34-E36 VanDerWaalsContact C-N 3.35Å; K34-E36 PolarHBondContact O-N 2.98Å
35	E	28	Very low	33	Very low	185 Å²	185	137.8 Å²	137.8	86%	0.864	74%	0.743	S	S	*	*			trans	-62.8	102.7	163.2	-73	-179.2	164.5	0	0	106.3	V33	V33-E35 PolarHBondContact O-N 3.03Å
36	E	25.1	Very low	35.7	Very low	166 Å²	166	137.4 Å²	137.4	78%	0.776	74%	0.735	S	S	*	*			trans	-62.9	127.7	160.1	-73.5	-172.1	160.6	0	0	107.4	K34 T38	K34-E36 VanDerWaalsContact C-N 3.35Å; K34-E36 PolarHBondContact O-N 2.98Å; E36-T38 PolarHBondContact O-N 3.03Å
37	P	27.7	Very low	38.6	Very low	107 Å²	107	127.9 Å²	127.9	70%	0.695	70%	0.699	S	S	*	*			trans	-68.5	102	174.1	28.3	-30.4	0	0	0	107.2	T39	P37-T39 HydrophobicContact CB-CG2 4.37Å; P37-T39 PolarHBondContact O-N 2.79Å
38	T	29	Very low	41.7	Very low	139 Å²	139	117.8 Å²	117.8	85%	0.853	66%	0.656	S	S	*	*			trans	-75.7	57.2	159.4	40.1	0	0	0	0	108.9	E36 S40	E36-T38 PolarHBondContact O-N 3.03Å; T38-S40 VanDerWaalsContact C-N 3.28Å; T38-S40 PolarHBondContact O-N 3.38Å
39	T	32.8	Very low	44.7	Very low	100 Å²	100	110 Å²	110	61%	0.613	62%	0.624	S	S	*	*			trans	-82.6	80.4	161.4	46.5	0	0	0	0	107.7	P37 S41	P37-T39 HydrophobicContact CB-CG2 4.37Å; P37-T39 PolarHBondContact O-N 2.79Å; T39-S41 PolarHBondContact O-N 2.72Å
40	S	33.3	Very low	47.8	Very low	98 Å²	98	104.9 Å²	104.9	69%	0.685	59%	0.588	S	S	*	*			trans	-76.2	63.8	150.3	178.3	0	0	0	0	107.5	T38 F42	T38-S40 VanDerWaalsContact C-N 3.28Å; T38-S40 PolarHBondContact O-N 3.38Å; S40-F42 PolarHBondContact O-N 3.38Å; S40-F42 WeakPolarHBondContact OG-CD2 3.43Å; S40-F42 WeakPolarHBondContact OG-CE2 3.45Å
41	S	37.8	Very low	50.7	Low	93 Å²	93	98.5 Å²	98.5	65%	0.65	57%	0.568	S	S	*	*			trans	-98.1	74.1	174.4	60	0	0	0	0	107.8	T39	T39-S41 PolarHBondContact O-N 2.72Å
42	F	42.5	Very low	53.7	Low	146 Å²	146	98.6 Å²	98.6	64%	0.64	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-60.7	139.6	163.7	-66.6	-79	0	0	0	108.6	S40	S40-F42 PolarHBondContact O-N 3.38Å; S40-F42 WeakPolarHBondContact OG-CD2 3.43Å; S40-F42 WeakPolarHBondContact OG-CE2 3.45Å
43	P	47.9	Very low	57	Low	113 Å²	113	97.2 Å²	97.2	73%	0.734	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-56.6	129.6	179.1	21.8	-30.6	0	0	0	108.8	S45	P43-S45 PolarHBondContact O-N 3.22Å
44	P	57.3	Low	60.2	Low	84 Å²	84	93.2 Å²	93.2	55%	0.545	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-58.1	128.9	177	23.2	-31	0	0	0	107.9	L46	P44-L46 PolarHBondContact O-N 2.81Å; P44-L46 VanDerWaalsContact O-N 3.1Å
45	S	69.1	Low	63.5	Low	34 Å²	34	85.9 Å²	85.9	24%	0.238	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-49.4	122.5	177	170.6	0	0	0	0	110	P43 Y47 H48 C298	P43-S45 PolarHBondContact O-N 3.22Å; S45-Y47 PolarHBondContact O-N 2.66Å; S45-Y47 WeakPolarHBondContact OG-CB 3.48Å; S45-Y47 PolarHBondContact OG-N 2.89Å; S45-H48 PolarHBondContact O-N 3.18Å; S45-C298 VanDerWaalsContact CB-SG 3.51Å; S45-C298 PolarHBondContact OG-SG 2.79Å
46	L	80.6	Confident	66.8	Low	124 Å²	124	77.5 Å²	77.5	65%	0.649	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-59.6	-16.7	177.8	-64	175.3	0	0	0	111.9	P44 H48 T49 R270	P44-L46 PolarHBondContact O-N 2.81Å; P44-L46 VanDerWaalsContact O-N 3.1Å; L46-H48 VanDerWaalsContact C-N 3.3Å; L46-H48 PolarHBondContact O-N 3.18Å; L46-T49 WeakPolarHBondContact CA-OG1 3.4Å; L46-T49 PolarHBondContact O-N 3.23Å; L46-T49 PolarHBondContact O-OG1 3.29Å; L46-R270 PolarHBondContact O-NH2 3.44Å
47	Y	85.6	Confident	70.2	Confident	36 Å²	36	73.6 Å²	73.6	14%	0.141	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-67.8	-28.5	176.1	-178.7	-91.8	0	0	0	112.9	S45 A211 R270 I295	S45-Y47 PolarHBondContact O-N 2.66Å; S45-Y47 WeakPolarHBondContact OG-CB 3.48Å; S45-Y47 PolarHBondContact OG-N 2.89Å; Y47-A211 HydrophobicContact CE1-CB 3.82Å; Y47-R270 VanDerWaalsContact CA-NH1 3.29Å; Y47-R270 WeakPolarHBondContact O-CD 2.87Å; Y47-R270 PolarHBondContact O-NE 3.27Å; Y47-R270 PolarHBondContact O-NH1 3.11Å; Y47-R270 PolarHBondContact O-NH2 3.38Å; Y47-I295 HydrophobicContact CD1-CG1 4.35Å; Y47-I295 HydrophobicContact CE1-CB 4.37Å; Y47-I295 HydrophobicContact CE1-CD1 3.94Å; Y47-I295 HydrophobicContact CE1-CG1 3.74Å
48	H	91.3	Very high	73.6	Confident	2 Å²	2	74 Å²	74	1%	0.009	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-96.5	5.1	-179.5	-61.3	-60.6	0	0	0	113.5	S45 L46 R210 A211 I212 L306	S45-H48 PolarHBondContact O-N 3.18Å; L46-H48 VanDerWaalsContact C-N 3.3Å; L46-H48 PolarHBondContact O-N 3.18Å; H48-R210 PolarHBondContact ND1-O 3.29Å; H48-R210 WeakPolarHBondContact O-CB 3.46Å; H48-R210 WeakPolarHBondContact O-CG 3.37Å; H48-A211 PolarHBondContact CE1-O 3.47Å; H48-A211 VanDerWaalsContact CE1-O 3.32Å; H48-I212 HydrophobicContact CB-CG1 4.27Å; H48-L306 HydrophobicContact CB-CD1 3.79Å
49	T	91.1	Very high	76.8	Confident	33 Å²	33	67.4 Å²	67.4	20%	0.202	40%	0.397	C	S	.	.	S	Bend	trans	-119.5	168.8	-174.3	59.7	0	0	0	0	112.9	L46 S51 R210 R270	L46-T49 WeakPolarHBondContact CA-OG1 3.4Å; L46-T49 PolarHBondContact O-N 3.23Å; L46-T49 PolarHBondContact O-OG1 3.29Å; T49-S51 PolarHBondContact OG1-OG 3.3Å; T49-R210 VanDerWaalsContact O-CZ 3.28Å; T49-R210 PolarHBondContact O-NE 3.36Å; T49-R210 VanDerWaalsContact O-NE 3.1Å; T49-R210 PolarHBondContact O-NH2 3.33Å; T49-R210 VanDerWaalsContact O-NH2 3.1Å; T49-R270 PolarHBondContact O-NH2 2.87Å
50	F	92.3	Very high	80	Confident	12 Å²	12	64.9 Å²	64.9	5%	0.053	38%	0.376	C	S	.	.			trans	-97.1	102.9	164.9	-64.6	-101.4	0	0	0	107.6	E55 V56 L59 R210 L228 L231 L232	F50-E55 HydrophobicContact CD1-CG 4.16Å; F50-V56 HydrophobicContact CB-CG2 3.67Å; F50-V56 HydrophobicContact CD1-CG2 4.2Å; F50-V56 HydrophobicContact CG-CG2 4.16Å; F50-L59 HydrophobicContact CD1-CD1 4.49Å; F50-L59 HydrophobicContact CE1-CD1 3.44Å; F50-L59 VanDerWaalsContact CE1-CD1 3.44Å; F50-L59 HydrophobicContact CZ-CD1 3.7Å; F50-R210 VanDerWaalsContact CA-NH2 3.33Å; F50-R210 HydrophobicContact CD2-CG 4.43Å; F50-R210 VanDerWaalsContact CD2-NE 3.35Å; F50-R210 HydrophobicContact CE2-CG 3.79Å; F50-R210 HydrophobicContact CZ-CG 4.28Å; F50-R210 VanDerWaalsContact CZ-NE 3.26Å; F50-L228 HydrophobicContact CD2-CD2 3.82Å; F50-L228 HydrophobicContact CE2-CD2 4.14Å; F50-L231 HydrophobicContact CB-CD2 3.84Å; F50-L232 HydrophobicContact CD1-CD2 3.85Å; F50-L232 HydrophobicContact CD2-CD1 4.3Å; F50-L232 HydrophobicContact CD2-CD2 3.83Å; F50-L232 HydrophobicContact CD2-CG 4.16Å; F50-L232 HydrophobicContact CE1-CD2 3.9Å; F50-L232 HydrophobicContact CE2-CD1 3.65Å; F50-L232 HydrophobicContact CE2-CD2 3.84Å; F50-L232 HydrophobicContact CE2-CG 4.02Å; F50-L232 HydrophobicContact CG-CD2 3.87Å; F50-L232 HydrophobicContact CZ-CD1 3.9Å; F50-L232 HydrophobicContact CZ-CD2 3.9Å; F50-L232 HydrophobicContact CZ-CG 4.4Å
51	S	88	Confident	83	Confident	68 Å²	68	62.2 Å²	62.2	48%	0.476	36%	0.357	S	S	.	.			trans	-92	-26.7	-175.8	-50.8	0	0	0	0	112.3	T49	T49-S51 PolarHBondContact OG1-OG 3.3Å
52	D	91.4	Very high	85.9	Confident	85 Å²	85	61 Å²	61	46%	0.455	34%	0.341	S	S	.	.			trans	-95.3	118.6	177.9	176.1	15.7	0	0	0	110.7	A54 E55 V56	D52-A54 PolarHBondContact O-N 2.99Å; D52-A54 WeakPolarHBondContact OD1-CB 3.32Å; D52-A54 PolarHBondContact OD1-N 3.26Å; D52-E55 HydrophobicContact CB-CB 4.14Å; D52-E55 WeakPolarHBondContact O-CB 3.24Å; D52-E55 PolarHBondContact O-N 2.91Å; D52-E55 PolarHBondContact OD2-N 3.15Å; D52-V56 PolarHBondContact O-N 2.76Å
53	P	93	Very high	88.6	Confident	98 Å²	98	54 Å²	54	64%	0.636	31%	0.31	S	S	*	.	H	α-helix	trans	-58.2	-32	174.3	-24.7	35.1	0	0	0	113.8	E55 V56 V57	P53-E55 VanDerWaalsContact C-N 3.35Å; P53-V56 WeakPolarHBondContact O-CB 3.38Å; P53-V56 PolarHBondContact O-N 3.27Å; P53-V57 WeakPolarHBondContact O-CG2 3.42Å; P53-V57 PolarHBondContact O-N 2.93Å; P53-V57 VanDerWaalsContact O-N 3.11Å
54	A	94.6	Very high	91	Very high	41 Å²	41	49.2 Å²	49.2	34%	0.339	28%	0.278	S	S	.	.	H	α-helix	trans	-65.3	-40.9	178.4	0	0	0	0	0	110.8	D52 V56 V57 F58	D52-A54 PolarHBondContact O-N 2.99Å; D52-A54 WeakPolarHBondContact OD1-CB 3.32Å; D52-A54 PolarHBondContact OD1-N 3.26Å; A54-V56 VanDerWaalsContact C-N 3.26Å; A54-V56 PolarHBondContact O-N 3.42Å; A54-V57 PolarHBondContact O-N 2.88Å; A54-F58 HydrophobicContact CB-CD2 4.44Å; A54-F58 HydrophobicContact CB-CE2 4.32Å; A54-F58 WeakPolarHBondContact O-CD2 3.49Å; A54-F58 PolarHBondContact O-N 2.92Å
55	E	95.1	Very high	93	Very high	39 Å²	39	52.7 Å²	52.7	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-55.2	-42	173.1	-167.9	-169.7	-179.9	0	0	111.8	F50 D52 P53 F58 L59 R210 H268	F50-E55 HydrophobicContact CD1-CG 4.16Å; D52-E55 HydrophobicContact CB-CB 4.14Å; D52-E55 WeakPolarHBondContact O-CB 3.24Å; D52-E55 PolarHBondContact O-N 2.91Å; D52-E55 PolarHBondContact OD2-N 3.15Å; P53-E55 VanDerWaalsContact C-N 3.35Å; E55-F58 PolarHBondContact O-N 2.8Å; E55-L59 WeakPolarHBondContact O-CB 3.48Å; E55-L59 PolarHBondContact O-N 2.98Å; E55-R210 IonicContact OE1-CZ 3.78Å; E55-R210 IonicContact OE1-NH1 2.94Å; E55-R210 PolarHBondContact OE1-NH1 3.39Å; E55-R210 IonicContact OE1-NH2 2.83Å; E55-R210 PolarHBondContact OE1-NH2 2.89Å; E55-R210 IonicContact OE2-CZ 3.29Å; E55-R210 IonicContact OE2-NH2 3.96Å; E55-R210 PolarHBondContact OE2-NH2 2.81Å; E55-H268 VanDerWaalsContact CG-ND1 3.29Å; E55-H268 WeakPolarHBondContact CG-ND1 3.45Å; E55-H268 IonicContact OE1-ND1 2.75Å
56	V	97.3	Very high	94.4	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.055	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-45.8	178.2	176.4	0	0	0	0	111.4	F50 D52 P53 A54 L59 R60 L232	F50-V56 HydrophobicContact CB-CG2 3.67Å; F50-V56 HydrophobicContact CD1-CG2 4.2Å; F50-V56 HydrophobicContact CG-CG2 4.16Å; D52-V56 PolarHBondContact O-N 2.76Å; P53-V56 WeakPolarHBondContact O-CB 3.38Å; P53-V56 PolarHBondContact O-N 3.27Å; A54-V56 VanDerWaalsContact C-N 3.26Å; A54-V56 PolarHBondContact O-N 3.42Å; V56-L59 PolarHBondContact O-N 2.93Å; V56-R60 WeakPolarHBondContact O-CG 3.37Å; V56-R60 PolarHBondContact O-N 2.83Å; V56-L232 HydrophobicContact CG1-CD2 4.09Å; V56-L232 HydrophobicContact CG2-CD2 4.16Å
57	V	97.4	Very high	95.2	Very high	85 Å²	85	46.7 Å²	46.7	52%	0.515	24%	0.244	S	C	.	.	H	α-helix	trans	-62.8	-44.9	178.1	174.1	0	0	0	0	111	P53 A54 L59 R60 S61	P53-V57 WeakPolarHBondContact O-CG2 3.42Å; P53-V57 PolarHBondContact O-N 2.93Å; P53-V57 VanDerWaalsContact O-N 3.11Å; A54-V57 PolarHBondContact O-N 2.88Å; V57-L59 PolarHBondContact O-N 3.03Å; V57-R60 PolarHBondContact O-N 2.61Å; V57-S61 PolarHBondContact O-N 2.87Å; V57-S61 PolarHBondContact O-OG 2.88Å
58	F	97.3	Very high	95.8	Very high	116 Å²	116	48.4 Å²	48.4	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-62.1	-45	176.5	-76.7	-61.4	0	0	0	111.7	A54 E55 R60 S61 H62	A54-F58 HydrophobicContact CB-CD2 4.44Å; A54-F58 HydrophobicContact CB-CE2 4.32Å; A54-F58 WeakPolarHBondContact O-CD2 3.49Å; A54-F58 PolarHBondContact O-N 2.92Å; E55-F58 PolarHBondContact O-N 2.8Å; F58-R60 PolarHBondContact O-N 2.95Å; F58-S61 PolarHBondContact O-N 3.23Å; F58-S61 PolarHBondContact O-OG 3.23Å; F58-H62 PolarHBondContact O-N 3.05Å; F58-H62 PolarHBondContact O-ND1 3.35Å
59	L	98	Very high	96.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.6	-48.5	177.3	-175.6	156	0	0	0	111.5	F50 E55 V56 V57 S61 H62 L63 L209 L232 F241 V265 H268	F50-L59 HydrophobicContact CD1-CD1 4.49Å; F50-L59 HydrophobicContact CE1-CD1 3.44Å; F50-L59 VanDerWaalsContact CE1-CD1 3.44Å; F50-L59 HydrophobicContact CZ-CD1 3.7Å; E55-L59 WeakPolarHBondContact O-CB 3.48Å; E55-L59 PolarHBondContact O-N 2.98Å; V56-L59 PolarHBondContact O-N 2.93Å; V57-L59 PolarHBondContact O-N 3.03Å; L59-S61 VanDerWaalsContact C-N 3.35Å; L59-S61 PolarHBondContact O-N 2.91Å; L59-H62 PolarHBondContact O-N 3.13Å; L59-L63 VanDerWaalsContact O-CB 3.26Å; L59-L63 WeakPolarHBondContact O-CB 3.38Å; L59-L63 PolarHBondContact O-N 3.19Å; L59-L209 HydrophobicContact CD1-CD1 4.27Å; L59-L232 HydrophobicContact CD1-CD2 4.2Å; L59-L232 HydrophobicContact CD2-CD2 4.31Å; L59-F241 HydrophobicContact CD2-CE2 4.08Å; L59-F241 HydrophobicContact CD2-CZ 4.16Å; L59-V265 HydrophobicContact CD2-CG1 4.44Å; L59-V265 HydrophobicContact CG-CB 4.48Å; L59-V265 HydrophobicContact CG-CG1 3.94Å; L59-H268 HydrophobicContact CD1-CB 4.19Å
60	R	98.4	Very high	96.3	Very high	47 Å²	47	58.3 Å²	58.3	18%	0.177	30%	0.299	C	S	.	.	H	α-helix	trans	-54.8	-50.9	176.7	-74.2	169.2	177	162.1	2.1	111.1	V56 V57 F58 H62 L63 L64 L231 L232 V233 D234 F241	V56-R60 WeakPolarHBondContact O-CG 3.37Å; V56-R60 PolarHBondContact O-N 2.83Å; V57-R60 PolarHBondContact O-N 2.61Å; F58-R60 PolarHBondContact O-N 2.95Å; R60-H62 PolarHBondContact O-N 2.99Å; R60-L63 PolarHBondContact O-N 3.32Å; R60-L64 WeakPolarHBondContact O-CB 3.23Å; R60-L64 WeakPolarHBondContact O-CG 3.37Å; R60-L64 PolarHBondContact O-N 3.22Å; R60-L231 PolarHBondContact NH2-O 2.83Å; R60-L232 WeakPolarHBondContact CG-O 3.34Å; R60-L232 PolarHBondContact NE-O 3.48Å; R60-V233 VanDerWaalsContact CZ-O 3.29Å; R60-V233 PolarHBondContact NE-O 2.81Å; R60-V233 PolarHBondContact NH2-O 2.78Å; R60-D234 HydrophobicContact CG-CB 4.44Å; R60-F241 HydrophobicContact CB-CE2 4.43Å; R60-F241 HydrophobicContact CG-CD2 4.1Å; R60-F241 HydrophobicContact CG-CE2 3.79Å
61	S	98.1	Very high	96.4	Very high	41 Å²	41	60.4 Å²	60.4	29%	0.287	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-43.4	-177.2	71.9	0	0	0	0	113.1	V57 F58 L59 R65	V57-S61 PolarHBondContact O-N 2.87Å; V57-S61 PolarHBondContact O-OG 2.88Å; F58-S61 PolarHBondContact O-N 3.23Å; F58-S61 PolarHBondContact O-OG 3.23Å; L59-S61 VanDerWaalsContact C-N 3.35Å; L59-S61 PolarHBondContact O-N 2.91Å; S61-R65 WeakPolarHBondContact O-CB 3.25Å; S61-R65 PolarHBondContact O-N 3.05Å
62	H	98.1	Very high	96.7	Very high	68 Å²	68	60.3 Å²	60.3	32%	0.315	30%	0.297	S	S	.	.	H	α-helix	trans	-68.4	-42.7	179	-73.6	82.1	0	0	0	111.6	F58 L59 R60 W66 P264	F58-H62 PolarHBondContact O-N 3.05Å; F58-H62 PolarHBondContact O-ND1 3.35Å; L59-H62 PolarHBondContact O-N 3.13Å; R60-H62 PolarHBondContact O-N 2.99Å; H62-W66 WeakPolarHBondContact O-CB 3.22Å; H62-W66 PolarHBondContact O-N 2.76Å; H62-W66 VanDerWaalsContact O-N 3.1Å; H62-P264 WeakPolarHBondContact CB-O 3.26Å
63	L	98.6	Very high	96.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.1	-47.9	179.8	-177.9	64.9	0	0	0	111.8	L59 R60 W66 Y67 F241 A244 M245 L248 P264 V265	L59-L63 VanDerWaalsContact O-CB 3.26Å; L59-L63 WeakPolarHBondContact O-CB 3.38Å; L59-L63 PolarHBondContact O-N 3.19Å; R60-L63 PolarHBondContact O-N 3.32Å; L63-W66 HydrophobicContact CD1-CE3 4.08Å; L63-W66 HydrophobicContact CD1-CZ3 4.37Å; L63-W66 PolarHBondContact O-N 2.83Å; L63-Y67 WeakPolarHBondContact O-CB 3.45Å; L63-Y67 PolarHBondContact O-N 3.31Å; L63-F241 HydrophobicContact CD2-CD2 4.06Å; L63-F241 HydrophobicContact CD2-CE2 3.65Å; L63-F241 HydrophobicContact CD2-CZ 3.98Å; L63-A244 HydrophobicContact CD1-CB 4.09Å; L63-A244 HydrophobicContact CD2-CB 3.99Å; L63-A244 HydrophobicContact CG-CB 3.71Å; L63-M245 HydrophobicContact CD2-CG 3.67Å; L63-M245 HydrophobicContact CD2-SD 3.49Å; L63-M245 WeakPolarHBondContact CD2-SD 3.48Å; L63-L248 HydrophobicContact CD1-CB 4.23Å; L63-L248 HydrophobicContact CD1-CD2 4.08Å; L63-P264 HydrophobicContact CD1-CG 4.48Å; L63-V265 HydrophobicContact CB-CG1 4.05Å
64	L	98.7	Very high	97	Very high	12 Å²	12	58.1 Å²	58.1	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-67	-41	-179.5	-72.4	172.8	0	0	0	111.6	R60 W66 Y67 D68 D234 R237 D240 F241	R60-L64 WeakPolarHBondContact O-CB 3.23Å; R60-L64 WeakPolarHBondContact O-CG 3.37Å; R60-L64 PolarHBondContact O-N 3.22Å; L64-W66 VanDerWaalsContact C-N 3.32Å; L64-W66 PolarHBondContact O-N 2.83Å; L64-Y67 PolarHBondContact O-N 3.14Å; L64-Y67 VanDerWaalsContact O-N 3.14Å; L64-D68 PolarHBondContact O-N 2.77Å; L64-D234 HydrophobicContact CD1-CB 4.15Å; L64-R237 HydrophobicContact CD1-CB 4.31Å; L64-D240 HydrophobicContact CD2-CB 3.95Å; L64-F241 HydrophobicContact CD2-CB 4.24Å
65	R	98.5	Very high	97.2	Very high	156 Å²	156	57.8 Å²	57.8	59%	0.589	27%	0.27	S	S	*	.	H	α-helix	trans	-59.3	-43.7	175.3	-175.9	-175.7	-62.9	120.5	0.9	111.9	S61 K69	S61-R65 WeakPolarHBondContact O-CB 3.25Å; S61-R65 PolarHBondContact O-N 3.05Å; R65-K69 PolarHBondContact O-N 2.94Å
66	W	98.5	Very high	97.3	Very high	31 Å²	31	56.5 Å²	56.5	12%	0.117	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-45.3	174.1	168.6	77.1	0	0	0	111.4	H62 L63 L64 D68 K69 D70 E247 L248 V252 P264	H62-W66 WeakPolarHBondContact O-CB 3.22Å; H62-W66 PolarHBondContact O-N 2.76Å; H62-W66 VanDerWaalsContact O-N 3.1Å; L63-W66 HydrophobicContact CD1-CE3 4.08Å; L63-W66 HydrophobicContact CD1-CZ3 4.37Å; L63-W66 PolarHBondContact O-N 2.83Å; L64-W66 VanDerWaalsContact C-N 3.32Å; L64-W66 PolarHBondContact O-N 2.83Å; W66-D68 VanDerWaalsContact C-N 3.33Å; W66-D68 PolarHBondContact O-N 2.93Å; W66-K69 PolarHBondContact O-N 3.07Å; W66-K69 VanDerWaalsContact O-N 3.11Å; W66-D70 HydrophobicContact CD2-CB 4.47Å; W66-D70 HydrophobicContact CZ2-CB 4.27Å; W66-D70 PolarHBondContact NE1-OD2 3.2Å; W66-D70 WeakPolarHBondContact O-CB 3.27Å; W66-D70 PolarHBondContact O-N 3.45Å; W66-E247 HydrophobicContact CH2-CB 4.04Å; W66-E247 HydrophobicContact CH2-CG 3.85Å; W66-E247 HydrophobicContact CZ3-CB 4.16Å; W66-E247 HydrophobicContact CZ3-CG 4.33Å; W66-L248 HydrophobicContact CH2-CB 4.18Å; W66-L248 HydrophobicContact CH2-CD1 4.44Å; W66-L248 HydrophobicContact CZ3-CB 3.97Å; W66-L248 HydrophobicContact CZ3-CD1 4.43Å; W66-V252 HydrophobicContact CH2-CG2 4.41Å; W66-V252 HydrophobicContact CZ2-CG2 3.72Å; W66-P264 HydrophobicContact CB-CB 3.6Å; W66-P264 HydrophobicContact CB-CG 3.8Å; W66-P264 HydrophobicContact CD2-CG 3.81Å; W66-P264 HydrophobicContact CE3-CG 4.16Å; W66-P264 HydrophobicContact CG-CB 3.87Å; W66-P264 HydrophobicContact CG-CG 3.63Å
67	Y	98.4	Very high	97.3	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-42.1	179.9	-176.1	-110.7	0	0	0	112.5	L63 L64 K69 D70 K71 R77 D240 Q243 A244 E247	L63-Y67 WeakPolarHBondContact O-CB 3.45Å; L63-Y67 PolarHBondContact O-N 3.31Å; L64-Y67 PolarHBondContact O-N 3.14Å; L64-Y67 VanDerWaalsContact O-N 3.14Å; Y67-K69 PolarHBondContact O-N 2.77Å; Y67-D70 PolarHBondContact O-N 2.85Å; Y67-K71 HydrophobicContact CD1-CD 4.01Å; Y67-K71 HydrophobicContact CD2-CB 3.74Å; Y67-K71 HydrophobicContact CE1-CB 4.29Å; Y67-K71 HydrophobicContact CE1-CD 3.63Å; Y67-K71 HydrophobicContact CE2-CB 3.5Å; Y67-K71 VanDerWaalsContact CE2-CB 3.5Å; Y67-K71 HydrophobicContact CE2-CD 4.38Å; Y67-K71 HydrophobicContact CG-CB 4.25Å; Y67-K71 WeakPolarHBondContact O-CB 3.45Å; Y67-K71 WeakPolarHBondContact O-CD 3.27Å; Y67-K71 WeakPolarHBondContact O-CG 3.33Å; Y67-K71 PolarHBondContact O-N 3.45Å; Y67-R77 PolarHBondContact OH-NE 3.24Å; Y67-D240 HydrophobicContact CD1-CB 4.32Å; Y67-D240 HydrophobicContact CE1-CB 4.15Å; Y67-Q243 HydrophobicContact CE1-CB 4.41Å; Y67-Q243 HydrophobicContact CE2-CB 4.12Å; Y67-Q243 VanDerWaalsContact OH-CB 3.28Å; Y67-Q243 WeakPolarHBondContact OH-CB 3.35Å; Y67-Q243 PolarHBondContact OH-OE1 2.75Å; Y67-A244 HydrophobicContact CD1-CB 4.18Å; Y67-A244 VanDerWaalsContact CD2-CA 3.45Å; Y67-A244 HydrophobicContact CD2-CB 3.67Å; Y67-A244 HydrophobicContact CE2-CB 4.39Å; Y67-A244 HydrophobicContact CG-CB 3.53Å; Y67-E247 HydrophobicContact CD2-CB 4.14Å; Y67-E247 HydrophobicContact CD2-CG 4.39Å; Y67-E247 HydrophobicContact CE2-CB 4.04Å; Y67-E247 HydrophobicContact CE2-CG 4.3Å
68	D	97.8	Very high	97.2	Very high	72 Å²	72	56.1 Å²	56.1	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-30.7	177.8	-71.2	-28.2	0	0	0	112.8	L64 W66 K71 R237	L64-D68 PolarHBondContact O-N 2.77Å; W66-D68 VanDerWaalsContact C-N 3.33Å; W66-D68 PolarHBondContact O-N 2.93Å; D68-K71 IonicContact OD1-NZ 2.89Å; D68-R237 IonicContact OD1-CZ 3.73Å; D68-R237 IonicContact OD1-NH1 3.33Å; D68-R237 IonicContact OD1-NH2 2.79Å; D68-R237 PolarHBondContact OD1-NH2 3.16Å; D68-R237 IonicContact OD2-CZ 3.48Å; D68-R237 IonicContact OD2-NH1 2.76Å; D68-R237 PolarHBondContact OD2-NH1 3.17Å; D68-R237 IonicContact OD2-NH2 3.19Å; D68-R237 PolarHBondContact OD2-NH2 3.38Å
69	K	97.4	Very high	97.2	Very high	179 Å²	179	52.4 Å²	52.4	78%	0.778	25%	0.245	S	C	*	.	H	α-helix	trans	-85	-40.1	178	-175.5	-178.5	176.1	-176.6	0	113.4	R65 W66 Y67	R65-K69 PolarHBondContact O-N 2.94Å; W66-K69 PolarHBondContact O-N 3.07Å; W66-K69 VanDerWaalsContact O-N 3.11Å; Y67-K69 PolarHBondContact O-N 2.77Å
70	D	95.3	Very high	97.1	Very high	64 Å²	64	52.8 Å²	52.8	34%	0.342	25%	0.248	S	C	.	.	H	α-helix	trans	-113.8	-4.7	-162.5	-71.4	-79	0	0	0	114.5	W66 Y67 R72	W66-D70 HydrophobicContact CD2-CB 4.47Å; W66-D70 HydrophobicContact CZ2-CB 4.27Å; W66-D70 PolarHBondContact NE1-OD2 3.2Å; W66-D70 WeakPolarHBondContact O-CB 3.27Å; W66-D70 PolarHBondContact O-N 3.45Å; Y67-D70 PolarHBondContact O-N 2.85Å; D70-R72 PolarHBondContact O-N 3.05Å
71	K	94.5	Very high	96.9	Very high	56 Å²	56	56 Å²	56	24%	0.243	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-58.8	137.7	179.8	65.7	-169.3	178.2	-168.1	0	111.5	Y67 D68	Y67-K71 HydrophobicContact CD1-CD 4.01Å; Y67-K71 HydrophobicContact CD2-CB 3.74Å; Y67-K71 HydrophobicContact CE1-CB 4.29Å; Y67-K71 HydrophobicContact CE1-CD 3.63Å; Y67-K71 HydrophobicContact CE2-CB 3.5Å; Y67-K71 VanDerWaalsContact CE2-CB 3.5Å; Y67-K71 HydrophobicContact CE2-CD 4.38Å; Y67-K71 HydrophobicContact CG-CB 4.25Å; Y67-K71 WeakPolarHBondContact O-CB 3.45Å; Y67-K71 WeakPolarHBondContact O-CD 3.27Å; Y67-K71 WeakPolarHBondContact O-CG 3.33Å; Y67-K71 PolarHBondContact O-N 3.45Å; D68-K71 IonicContact OD1-NZ 2.89Å
72	R	94.8	Very high	96.9	Very high	66 Å²	66	59.3 Å²	59.3	25%	0.249	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-68.5	138.4	170.3	-67	169.2	-65.7	169.9	4.3	110.7	D70 L74 R77 E247 R251	D70-R72 PolarHBondContact O-N 3.05Å; R72-L74 HydrophobicContact CB-CD1 4.48Å; R72-L74 HydrophobicContact CB-CD2 4.13Å; R72-L74 HydrophobicContact CB-CG 4.07Å; R72-L74 PolarHBondContact O-N 2.63Å; R72-R77 PolarHBondContact O-NH1 3.43Å; R72-E247 VanDerWaalsContact CG-OE1 3.29Å; R72-E247 WeakPolarHBondContact CG-OE1 3.31Å; R72-E247 IonicContact CZ-OE1 3.01Å; R72-E247 IonicContact CZ-OE2 3.58Å; R72-E247 PolarHBondContact N-OE1 2.9Å; R72-E247 IonicContact NE-OE1 3.86Å; R72-E247 PolarHBondContact NE-OE1 3.06Å; R72-E247 IonicContact NE-OE2 3.24Å; R72-E247 PolarHBondContact NE-OE2 3.44Å; R72-E247 IonicContact NH2-OE1 3.84Å; R72-E247 IonicContact NH2-OE2 3.44Å; R72-E247 PolarHBondContact NH2-OE2 2.97Å; R72-R251 VanDerWaalsContact CG-NH1 3.3Å
73	E	94	Very high	96.9	Very high	133 Å²	133	58.4 Å²	58.4	62%	0.621	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-68.4	117.8	161.9	-66.8	-54	131	0	0	109.9	K109	E73-K109 PolarHBondContact O-NZ 3.07Å
74	L	96.6	Very high	96.8	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.016	32%	0.319	C	S	.	.			trans	-134.4	135.6	-177.1	-59.6	175.8	0	0	0	108.8	R72 W76 R77 T78 V105	R72-L74 HydrophobicContact CB-CD1 4.48Å; R72-L74 HydrophobicContact CB-CD2 4.13Å; R72-L74 HydrophobicContact CB-CG 4.07Å; R72-L74 PolarHBondContact O-N 2.63Å; L74-W76 VanDerWaalsContact C-N 3.28Å; L74-W76 HydrophobicContact CB-CD2 4.13Å; L74-W76 HydrophobicContact CB-CZ2 4Å; L74-W76 HydrophobicContact CD1-CZ2 3.7Å; L74-W76 HydrophobicContact CD2-CH2 4.39Å; L74-W76 HydrophobicContact CD2-CZ2 4.07Å; L74-W76 HydrophobicContact CG-CZ2 4.13Å; L74-W76 PolarHBondContact O-N 2.98Å; L74-W76 VanDerWaalsContact O-N 3.17Å; L74-R77 HydrophobicContact CB-CB 4.32Å; L74-R77 HydrophobicContact CB-CG 4.05Å; L74-R77 HydrophobicContact CD1-CG 4.45Å; L74-R77 WeakPolarHBondContact O-CA 3.09Å; L74-R77 WeakPolarHBondContact O-CB 3.4Å; L74-R77 PolarHBondContact O-N 2.89Å; L74-T78 PolarHBondContact O-N 3.28Å; L74-T78 VanDerWaalsContact O-N 3.1Å; L74-T78 PolarHBondContact O-OG1 3.11Å; L74-V105 HydrophobicContact CD1-CG1 4.3Å; L74-V105 HydrophobicContact CD2-CG1 3.55Å
75	P	97.4	Very high	96.7	Very high	35 Å²	35	66.2 Å²	66.2	23%	0.227	33%	0.333	C	S	.	.	H	α-helix	trans	-55.6	-40.5	-173.1	-26.8	33.9	0	0	0	114.1	R77 T78 L79 Y112 N113	P75-R77 VanDerWaalsContact C-N 3.33Å; P75-R77 PolarHBondContact O-N 2.95Å; P75-T78 PolarHBondContact O-N 2.67Å; P75-L79 WeakPolarHBondContact O-CB 3.41Å; P75-L79 PolarHBondContact O-N 3.03Å; P75-Y112 HydrophobicContact CB-CD1 3.8Å; P75-Y112 HydrophobicContact CB-CE1 3.96Å; P75-N113 WeakPolarHBondContact CB-OD1 3.37Å; P75-N113 VanDerWaalsContact CG-OD1 3.28Å; P75-N113 WeakPolarHBondContact CG-OD1 3.35Å
76	W	97.6	Very high	96.7	Very high	12 Å²	12	61 Å²	61	5%	0.045	32%	0.316	C	S	.	.	H	α-helix	trans	-69.6	-26.4	177.7	51.4	88.9	0	0	0	113.7	L74 A80 S96 L100 V105 V108 K109 Y112	L74-W76 VanDerWaalsContact C-N 3.28Å; L74-W76 HydrophobicContact CB-CD2 4.13Å; L74-W76 HydrophobicContact CB-CZ2 4Å; L74-W76 HydrophobicContact CD1-CZ2 3.7Å; L74-W76 HydrophobicContact CD2-CH2 4.39Å; L74-W76 HydrophobicContact CD2-CZ2 4.07Å; L74-W76 HydrophobicContact CG-CZ2 4.13Å; L74-W76 PolarHBondContact O-N 2.98Å; L74-W76 VanDerWaalsContact O-N 3.17Å; W76-A80 WeakPolarHBondContact O-CB 3.27Å; W76-A80 PolarHBondContact O-N 3.43Å; W76-S96 VanDerWaalsContact CB-CB 3.48Å; W76-S96 VanDerWaalsContact CG-CB 3.5Å; W76-L100 HydrophobicContact CH2-CD2 4.31Å; W76-L100 HydrophobicContact CZ2-CD1 3.92Å; W76-L100 HydrophobicContact CZ2-CD2 4.05Å; W76-L100 HydrophobicContact CZ2-CG 4.41Å; W76-V105 HydrophobicContact CH2-CG1 4.03Å; W76-V105 HydrophobicContact CZ2-CG1 3.97Å; W76-V108 HydrophobicContact CH2-CB 4.13Å; W76-V108 HydrophobicContact CH2-CG1 3.91Å; W76-V108 HydrophobicContact CZ3-CB 4.31Å; W76-V108 HydrophobicContact CZ3-CG1 3.73Å; W76-K109 HydrophobicContact CH2-CG 4.14Å; W76-K109 HydrophobicContact CZ3-CG 4.2Å; W76-Y112 HydrophobicContact CB-CE1 3.89Å; W76-Y112 HydrophobicContact CB-CE2 3.9Å; W76-Y112 AromaticContact CE3-CD1 3.95Å; W76-Y112 HydrophobicContact CE3-CD1 3.95Å; W76-Y112 HydrophobicContact CE3-CD2 4.18Å; W76-Y112 HydrophobicContact CE3-CE1 4.44Å; W76-Y112 AromaticContact CE3-CG 3.78Å; W76-Y112 HydrophobicContact CE3-CG 3.78Å; W76-Y112 HydrophobicContact CZ3-CG 4.36Å
77	R	97	Very high	96.7	Very high	21 Å²	21	60.5 Å²	60.5	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-72.6	-46.7	172.8	-71	-174.2	172.9	155.2	0.5	110.9	Y67 R72 L74 P75 L79 A80 L81 Q243 E247	Y67-R77 PolarHBondContact OH-NE 3.24Å; R72-R77 PolarHBondContact O-NH1 3.43Å; L74-R77 HydrophobicContact CB-CB 4.32Å; L74-R77 HydrophobicContact CB-CG 4.05Å; L74-R77 HydrophobicContact CD1-CG 4.45Å; L74-R77 WeakPolarHBondContact O-CA 3.09Å; L74-R77 WeakPolarHBondContact O-CB 3.4Å; L74-R77 PolarHBondContact O-N 2.89Å; P75-R77 VanDerWaalsContact C-N 3.33Å; P75-R77 PolarHBondContact O-N 2.95Å; R77-L79 VanDerWaalsContact C-N 3.34Å; R77-L79 PolarHBondContact O-N 3.36Å; R77-A80 PolarHBondContact O-N 3.17Å; R77-L81 WeakPolarHBondContact O-CG 3.24Å; R77-L81 PolarHBondContact O-N 3.32Å; R77-Q243 VanDerWaalsContact CG-OE1 3.26Å; R77-E247 IonicContact CZ-OE2 3.76Å; R77-E247 IonicContact NH1-OE1 2.71Å; R77-E247 IonicContact NH1-OE2 2.67Å; R77-E247 PolarHBondContact NH1-OE2 3.09Å; R77-E247 IonicContact NH2-OE2 3.27Å; R77-E247 PolarHBondContact NH2-OE2 3.05Å
78	T	96.1	Very high	96.7	Very high	64 Å²	64	62.4 Å²	62.4	39%	0.393	33%	0.326	S	S	.	.	H	α-helix	trans	-57.7	-50.7	177	-49.6	0	0	0	0	109.9	L74 P75 A80 L81 T82	L74-T78 PolarHBondContact O-N 3.28Å; L74-T78 VanDerWaalsContact O-N 3.1Å; L74-T78 PolarHBondContact O-OG1 3.11Å; P75-T78 PolarHBondContact O-N 2.67Å; T78-A80 PolarHBondContact O-N 2.82Å; T78-L81 PolarHBondContact O-N 2.94Å; T78-L81 VanDerWaalsContact O-N 3.13Å; T78-T82 HydrophobicContact CG2-CG2 4.34Å; T78-T82 WeakPolarHBondContact O-CG2 3.31Å; T78-T82 PolarHBondContact O-N 3.33Å; T78-T82 PolarHBondContact O-OG1 2.88Å
79	L	96.9	Very high	96.7	Very high	38 Å²	38	61.9 Å²	61.9	20%	0.199	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-45.2	178.3	-168.3	162.5	0	0	0	111.6	P75 R77 L81 T82 E83 A92 M116	P75-L79 WeakPolarHBondContact O-CB 3.41Å; P75-L79 PolarHBondContact O-N 3.03Å; R77-L79 VanDerWaalsContact C-N 3.34Å; R77-L79 PolarHBondContact O-N 3.36Å; L79-L81 PolarHBondContact O-N 2.82Å; L79-T82 PolarHBondContact O-N 2.95Å; L79-E83 HydrophobicContact CD2-CB 3.84Å; L79-E83 HydrophobicContact CD2-CG 4.33Å; L79-E83 HydrophobicContact CG-CB 4.49Å; L79-E83 WeakPolarHBondContact O-CB 3.21Å; L79-E83 PolarHBondContact O-N 3.31Å; L79-A92 HydrophobicContact CD1-CB 3.86Å; L79-A92 HydrophobicContact CD2-CB 3.2Å; L79-A92 HydrophobicContact CG-CB 4.13Å; L79-M116 HydrophobicContact CD1-CE 4.11Å
80	A	96.5	Very high	96.7	Very high	9 Å²	9	53.4 Å²	53.4	7%	0.074	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-31	177.8	0	0	0	0	0	113.6	W76 R77 T78 R89 V93 I189	W76-A80 WeakPolarHBondContact O-CB 3.27Å; W76-A80 PolarHBondContact O-N 3.43Å; R77-A80 PolarHBondContact O-N 3.17Å; T78-A80 PolarHBondContact O-N 2.82Å; A80-R89 WeakPolarHBondContact O-CD 3.48Å; A80-V93 HydrophobicContact CB-CG2 3.73Å; A80-I189 HydrophobicContact CB-CG2 3.97Å
81	L	95	Very high	96.9	Very high	115 Å²	115	50.3 Å²	50.3	60%	0.602	27%	0.265	S	S	*	.	H	α-helix	trans	-83.1	-38.6	178.3	-69.8	169.7	0	0	0	112.9	R77 T78 L79	R77-L81 WeakPolarHBondContact O-CG 3.24Å; R77-L81 PolarHBondContact O-N 3.32Å; T78-L81 PolarHBondContact O-N 2.94Å; T78-L81 VanDerWaalsContact O-N 3.13Å; L79-L81 PolarHBondContact O-N 2.82Å
82	T	96.6	Very high	97.1	Very high	109 Å²	109	47.7 Å²	47.7	67%	0.669	25%	0.254	S	S	*	.	H	α-helix	trans	-92	-21.7	-171.6	59.9	0	0	0	0	113.8	T78 L79	T78-T82 HydrophobicContact CG2-CG2 4.34Å; T78-T82 WeakPolarHBondContact O-CG2 3.31Å; T78-T82 PolarHBondContact O-N 3.33Å; T78-T82 PolarHBondContact O-OG1 2.88Å; L79-T82 PolarHBondContact O-N 2.95Å
83	E	97.7	Very high	97.3	Very high	49 Å²	49	44.6 Å²	44.6	23%	0.229	24%	0.242	C	C	.	.			trans	-78.7	126.9	-177.3	-175.8	53.8	-99.7	0	0	111.9	L79 D85 I88 R89	L79-E83 HydrophobicContact CD2-CB 3.84Å; L79-E83 HydrophobicContact CD2-CG 4.33Å; L79-E83 HydrophobicContact CG-CB 4.49Å; L79-E83 WeakPolarHBondContact O-CB 3.21Å; L79-E83 PolarHBondContact O-N 3.31Å; E83-D85 PolarHBondContact OE1-N 3.27Å; E83-I88 HydrophobicContact CG-CB 3.89Å; E83-I88 HydrophobicContact CG-CG2 3.84Å; E83-R89 HydrophobicContact CB-CB 4.19Å; E83-R89 HydrophobicContact CG-CB 4.06Å; E83-R89 PolarHBondContact O-NH1 3.26Å
84	S	97.1	Very high	97.5	Very high	109 Å²	109	38.3 Å²	38.3	76%	0.762	21%	0.213	S	C	*	.			trans	-90.3	-31	-178.5	64.9	0	0	0	0	112.7	I86	S84-I86 PolarHBondContact O-N 3.44Å
85	D	97.8	Very high	97.6	Very high	67 Å²	67	38.2 Å²	38.2	36%	0.358	21%	0.212	S	C	.	.			trans	-74.6	115.2	176.3	-172	-41.1	0	0	0	109.9	E83 N87 I88 R89	E83-D85 PolarHBondContact OE1-N 3.27Å; D85-N87 PolarHBondContact O-N 3.37Å; D85-N87 WeakPolarHBondContact OD1-CA 3.3Å; D85-N87 VanDerWaalsContact OD1-CB 3.27Å; D85-N87 WeakPolarHBondContact OD1-CB 3.45Å; D85-N87 PolarHBondContact OD1-N 3.11Å; D85-I88 HydrophobicContact CB-CB 4.12Å; D85-I88 HydrophobicContact CB-CD1 3.95Å; D85-I88 HydrophobicContact CB-CG1 3.95Å; D85-I88 PolarHBondContact O-N 3.47Å; D85-I88 PolarHBondContact OD1-N 3.25Å; D85-R89 VanDerWaalsContact O-CB 3.31Å; D85-R89 WeakPolarHBondContact O-CB 3.32Å; D85-R89 PolarHBondContact O-N 3.29Å
86	I	97.4	Very high	97.6	Very high	47 Å²	47	36.6 Å²	36.6	24%	0.241	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-33.9	-179.1	-167.5	64.2	0	0	0	112.8	S84 T90 A190 L191	S84-I86 PolarHBondContact O-N 3.44Å; I86-T90 WeakPolarHBondContact O-CB 3.49Å; I86-T90 PolarHBondContact O-N 3.48Å; I86-T90 PolarHBondContact O-OG1 3.43Å; I86-A190 VanDerWaalsContact CD1-O 3.31Å; I86-A190 WeakPolarHBondContact CD1-O 3.22Å; I86-L191 HydrophobicContact CD1-CD2 3.54Å; I86-L191 HydrophobicContact CG1-CD2 3.84Å
87	N	98.1	Very high	97.6	Very high	21 Å²	21	36.5 Å²	36.5	11%	0.112	20%	0.202	C	C	.	.	H	α-helix	trans	-72.1	-46.1	-179.7	-64.8	-64.4	0	0	0	110.6	D85 T90 Y91 Q163 M164	D85-N87 PolarHBondContact O-N 3.37Å; D85-N87 WeakPolarHBondContact OD1-CA 3.3Å; D85-N87 VanDerWaalsContact OD1-CB 3.27Å; D85-N87 WeakPolarHBondContact OD1-CB 3.45Å; D85-N87 PolarHBondContact OD1-N 3.11Å; N87-T90 PolarHBondContact O-N 3.45Å; N87-Y91 VanDerWaalsContact O-CB 3.22Å; N87-Y91 WeakPolarHBondContact O-CB 3.43Å; N87-Y91 PolarHBondContact O-N 3.25Å; N87-Q163 PolarHBondContact ND2-OE1 3.2Å; N87-M164 HydrophobicContact CB-CG 4.07Å; N87-M164 WeakPolarHBondContact OD1-CB 3.24Å; N87-M164 PolarHBondContact OD1-N 3.13Å
88	I	98.4	Very high	97.6	Very high	42 Å²	42	35.8 Å²	35.8	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-46.5	176.9	-59.4	-179.6	0	0	0	109.8	E83 D85 T90 Y91 A92 T121	E83-I88 HydrophobicContact CG-CB 3.89Å; E83-I88 HydrophobicContact CG-CG2 3.84Å; D85-I88 HydrophobicContact CB-CB 4.12Å; D85-I88 HydrophobicContact CB-CD1 3.95Å; D85-I88 HydrophobicContact CB-CG1 3.95Å; D85-I88 PolarHBondContact O-N 3.47Å; D85-I88 PolarHBondContact OD1-N 3.25Å; I88-T90 PolarHBondContact O-N 3.47Å; I88-Y91 PolarHBondContact O-N 2.9Å; I88-A92 WeakPolarHBondContact O-CB 3.31Å; I88-A92 PolarHBondContact O-N 3.15Å; I88-T121 HydrophobicContact CD1-CG2 4.29Å; I88-T121 HydrophobicContact CG1-CG2 4.28Å
89	R	98.4	Very high	97.7	Very high	60 Å²	60	32.8 Å²	32.8	23%	0.226	18%	0.181	C	C	.	.	H	α-helix	trans	-58.6	-48.5	177.3	-177.5	167.7	66.4	-154	14.1	112.2	A80 E83 D85 A92 V93 A190	A80-R89 WeakPolarHBondContact O-CD 3.48Å; E83-R89 HydrophobicContact CB-CB 4.19Å; E83-R89 HydrophobicContact CG-CB 4.06Å; E83-R89 PolarHBondContact O-NH1 3.26Å; D85-R89 VanDerWaalsContact O-CB 3.31Å; D85-R89 WeakPolarHBondContact O-CB 3.32Å; D85-R89 PolarHBondContact O-N 3.29Å; R89-A92 PolarHBondContact O-N 2.99Å; R89-V93 WeakPolarHBondContact O-CG2 3.48Å; R89-V93 PolarHBondContact O-N 2.83Å; R89-A190 HydrophobicContact CG-CB 4.07Å; R89-A190 PolarHBondContact NE-O 3.01Å; R89-A190 PolarHBondContact NH2-O 2.94Å
90	T	98.4	Very high	97.6	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-64.3	-43.2	179.7	-57.3	0	0	0	0	111.3	I86 N87 I88 W94 M164 L171 I186 L191	I86-T90 WeakPolarHBondContact O-CB 3.49Å; I86-T90 PolarHBondContact O-N 3.48Å; I86-T90 PolarHBondContact O-OG1 3.43Å; N87-T90 PolarHBondContact O-N 3.45Å; I88-T90 PolarHBondContact O-N 3.47Å; T90-W94 VanDerWaalsContact O-CB 3.27Å; T90-W94 WeakPolarHBondContact O-CB 3.34Å; T90-W94 PolarHBondContact O-N 3.44Å; T90-M164 HydrophobicContact CG2-CB 3.97Å; T90-M164 HydrophobicContact CG2-CE 3.7Å; T90-M164 HydrophobicContact CG2-CG 4.36Å; T90-L171 HydrophobicContact CG2-CD2 4.37Å; T90-I186 HydrophobicContact CG2-CG2 3.51Å; T90-L191 HydrophobicContact CG2-CD2 4.45Å; T90-L191 VanDerWaalsContact OG1-CD2 3.29Å; T90-L191 WeakPolarHBondContact OG1-CD2 3.48Å
91	Y	98.6	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-48.4	174.5	168	-109.1	0	0	0	111.7	N87 I88 V93 W94 V95 W115 M116 W119 P120 V122 L125	N87-Y91 VanDerWaalsContact O-CB 3.22Å; N87-Y91 WeakPolarHBondContact O-CB 3.43Å; N87-Y91 PolarHBondContact O-N 3.25Å; I88-Y91 PolarHBondContact O-N 2.9Å; Y91-V93 PolarHBondContact O-N 3.05Å; Y91-W94 HydrophobicContact CD2-CE3 4.36Å; Y91-W94 WeakPolarHBondContact O-CB 3.38Å; Y91-W94 PolarHBondContact O-N 3.18Å; Y91-W94 VanDerWaalsContact O-N 3.16Å; Y91-V95 HydrophobicContact CD2-CG2 4.03Å; Y91-V95 HydrophobicContact CE1-CG2 4.07Å; Y91-V95 HydrophobicContact CE2-CG2 3.55Å; Y91-V95 HydrophobicContact CG-CG2 4.49Å; Y91-V95 VanDerWaalsContact O-CG2 3.31Å; Y91-V95 WeakPolarHBondContact O-CG2 3.29Å; Y91-V95 PolarHBondContact O-N 3.04Å; Y91-W115 AromaticContact CZ-NE1 3.96Å; Y91-W115 PolarHBondContact OH-NE1 2.84Å; Y91-M116 HydrophobicContact CD1-CE 3.86Å; Y91-M116 HydrophobicContact CD1-SD 4.43Å; Y91-M116 HydrophobicContact CE1-CE 3.66Å; Y91-M116 HydrophobicContact CE1-SD 3.85Å; Y91-W119 WeakPolarHBondContact CE1-O 3.28Å; Y91-W119 PolarHBondContact OH-O 3.46Å; Y91-P120 WeakPolarHBondContact CD1-O 3.32Å; Y91-V122 HydrophobicContact CD2-CB 3.88Å; Y91-V122 HydrophobicContact CD2-CG2 4.24Å; Y91-V122 HydrophobicContact CE2-CB 4.42Å; Y91-V122 HydrophobicContact CG-CB 4.21Å; Y91-L125 HydrophobicContact CE2-CB 4.27Å; Y91-L125 HydrophobicContact CE2-CD2 3.76Å
92	A	98.6	Very high	97	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-40.8	-177.9	0	0	0	0	0	112.9	L79 I88 R89 S96 Y112 M116	L79-A92 HydrophobicContact CD1-CB 3.86Å; L79-A92 HydrophobicContact CD2-CB 3.2Å; L79-A92 HydrophobicContact CG-CB 4.13Å; I88-A92 WeakPolarHBondContact O-CB 3.31Å; I88-A92 PolarHBondContact O-N 3.15Å; R89-A92 PolarHBondContact O-N 2.99Å; A92-S96 PolarHBondContact O-N 3.12Å; A92-Y112 WeakPolarHBondContact CB-OH 3.28Å; A92-Y112 WeakPolarHBondContact O-CE2 3.28Å; A92-Y112 PolarHBondContact O-OH 3.22Å; A92-M116 HydrophobicContact CB-CE 3.68Å; A92-M116 HydrophobicContact CB-SD 4.45Å
93	V	98.4	Very high	96.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-67.3	-42.4	173.1	175.6	0	0	0	0	110.4	A80 R89 Y91 V95 S96 E97 I186 I189 A190	A80-V93 HydrophobicContact CB-CG2 3.73Å; R89-V93 WeakPolarHBondContact O-CG2 3.48Å; R89-V93 PolarHBondContact O-N 2.83Å; Y91-V93 PolarHBondContact O-N 3.05Å; V93-V95 VanDerWaalsContact C-N 3.35Å; V93-V95 PolarHBondContact O-N 3.23Å; V93-S96 PolarHBondContact O-N 3.3Å; V93-S96 PolarHBondContact O-OG 3.13Å; V93-E97 HydrophobicContact CG1-CG 4.14Å; V93-E97 VanDerWaalsContact O-CG 3.31Å; V93-E97 WeakPolarHBondContact O-CG 3.46Å; V93-E97 PolarHBondContact O-N 2.8Å; V93-I186 HydrophobicContact CG1-CG1 4.11Å; V93-I189 HydrophobicContact CG1-CB 4.15Å; V93-I189 HydrophobicContact CG1-CD1 4.39Å; V93-I189 HydrophobicContact CG1-CG2 4.1Å; V93-I189 HydrophobicContact CG2-CG2 3.79Å; V93-A190 HydrophobicContact CB-CB 4.37Å; V93-A190 HydrophobicContact CG2-CB 4.13Å
94	W	98.5	Very high	96.4	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-45.4	177.2	179.5	28.8	0	0	0	112.2	T90 Y91 S96 E97 I98 L149 M164 L175 V178 I186	T90-W94 VanDerWaalsContact O-CB 3.27Å; T90-W94 WeakPolarHBondContact O-CB 3.34Å; T90-W94 PolarHBondContact O-N 3.44Å; Y91-W94 HydrophobicContact CD2-CE3 4.36Å; Y91-W94 WeakPolarHBondContact O-CB 3.38Å; Y91-W94 PolarHBondContact O-N 3.18Å; Y91-W94 VanDerWaalsContact O-N 3.16Å; W94-S96 PolarHBondContact O-N 3.1Å; W94-E97 PolarHBondContact O-N 3.07Å; W94-I98 WeakPolarHBondContact O-CG1 3.45Å; W94-I98 PolarHBondContact O-N 2.91Å; W94-L149 HydrophobicContact CD2-CD1 3.54Å; W94-L149 VanDerWaalsContact CE2-CD1 3.4Å; W94-L149 HydrophobicContact CE3-CD1 3.81Å; W94-L149 HydrophobicContact CG-CD1 4.15Å; W94-L149 HydrophobicContact CH2-CD1 3.85Å; W94-L149 HydrophobicContact CZ2-CD1 3.59Å; W94-L149 HydrophobicContact CZ3-CD1 3.96Å; W94-M164 HydrophobicContact CE3-CE 3.68Å; W94-M164 HydrophobicContact CZ3-CE 4.14Å; W94-L175 HydrophobicContact CD2-CD1 4.26Å; W94-L175 HydrophobicContact CE3-CD1 4.35Å; W94-L175 HydrophobicContact CH2-CD1 4.24Å; W94-L175 HydrophobicContact CH2-CD2 4.34Å; W94-L175 HydrophobicContact CZ2-CB 4.33Å; W94-L175 HydrophobicContact CZ2-CD1 4.14Å; W94-L175 HydrophobicContact CZ3-CD1 4.34Å; W94-V178 HydrophobicContact CZ2-CG2 4.34Å; W94-I186 HydrophobicContact CB-CD1 3.64Å; W94-I186 HydrophobicContact CB-CG1 4.24Å; W94-I186 HydrophobicContact CG-CD1 3.82Å
95	V	98.5	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.9	-49.7	175.8	172.6	0	0	0	0	110.9	Y91 V93 E97 I98 M99 Y112 W115 M116 L149	Y91-V95 HydrophobicContact CD2-CG2 4.03Å; Y91-V95 HydrophobicContact CE1-CG2 4.07Å; Y91-V95 HydrophobicContact CE2-CG2 3.55Å; Y91-V95 HydrophobicContact CG-CG2 4.49Å; Y91-V95 VanDerWaalsContact O-CG2 3.31Å; Y91-V95 WeakPolarHBondContact O-CG2 3.29Å; Y91-V95 PolarHBondContact O-N 3.04Å; V93-V95 VanDerWaalsContact C-N 3.35Å; V93-V95 PolarHBondContact O-N 3.23Å; V95-E97 PolarHBondContact O-N 2.92Å; V95-I98 PolarHBondContact O-N 3.34Å; V95-M99 HydrophobicContact CG1-CE 3.9Å; V95-M99 HydrophobicContact CG1-SD 4.24Å; V95-M99 WeakPolarHBondContact O-CG 3.3Å; V95-M99 PolarHBondContact O-N 3.19Å; V95-Y112 HydrophobicContact CB-CE2 4.21Å; V95-Y112 HydrophobicContact CG1-CD2 3.93Å; V95-Y112 HydrophobicContact CG1-CE2 4Å; V95-W115 HydrophobicContact CG1-CD2 4.48Å; V95-W115 HydrophobicContact CG1-CG 4.04Å; V95-M116 HydrophobicContact CB-SD 4.24Å; V95-M116 HydrophobicContact CG1-SD 4.22Å; V95-M116 HydrophobicContact CG2-SD 4.17Å; V95-L149 HydrophobicContact CG2-CD2 4.23Å
96	S	98.1	Very high	95.9	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-42.9	-179.3	57.9	0	0	0	0	112.2	W76 A92 V93 W94 I98 M99 L100	W76-S96 VanDerWaalsContact CB-CB 3.48Å; W76-S96 VanDerWaalsContact CG-CB 3.5Å; A92-S96 PolarHBondContact O-N 3.12Å; V93-S96 PolarHBondContact O-N 3.3Å; V93-S96 PolarHBondContact O-OG 3.13Å; W94-S96 PolarHBondContact O-N 3.1Å; S96-I98 VanDerWaalsContact C-N 3.35Å; S96-I98 PolarHBondContact O-N 2.95Å; S96-M99 PolarHBondContact O-N 3.26Å; S96-L100 WeakPolarHBondContact O-CB 3.42Å; S96-L100 WeakPolarHBondContact O-CD1 3.33Å; S96-L100 VanDerWaalsContact O-CG 3.24Å; S96-L100 WeakPolarHBondContact O-CG 3.48Å; S96-L100 PolarHBondContact O-N 2.99Å
97	E	97.6	Very high	95.7	Very high	9 Å²	9	34.8 Å²	34.8	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-40.8	179.8	-70	-54	121.8	0	0	111.6	V93 W94 V95 Q101 Y181 T182 A185	V93-E97 HydrophobicContact CG1-CG 4.14Å; V93-E97 VanDerWaalsContact O-CG 3.31Å; V93-E97 WeakPolarHBondContact O-CG 3.46Å; V93-E97 PolarHBondContact O-N 2.8Å; W94-E97 PolarHBondContact O-N 3.07Å; V95-E97 PolarHBondContact O-N 2.92Å; E97-Q101 WeakPolarHBondContact O-CG 3.3Å; E97-Q101 PolarHBondContact O-N 3.5Å; E97-Y181 VanDerWaalsContact OE2-CZ 3.31Å; E97-Y181 PolarHBondContact OE2-OH 3.44Å; E97-T182 HydrophobicContact CB-CG2 4.12Å; E97-A185 HydrophobicContact CG-CB 4.07Å
98	I	97.1	Very high	95.6	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.036	18%	0.179	C	C	.	.	H	α-helix	trans	-67	-41.3	175.5	-63.4	-59.8	0	0	0	111.1	W94 V95 S96 Q101 W137 R145 L149 T182	W94-I98 WeakPolarHBondContact O-CG1 3.45Å; W94-I98 PolarHBondContact O-N 2.91Å; V95-I98 PolarHBondContact O-N 3.34Å; S96-I98 VanDerWaalsContact C-N 3.35Å; S96-I98 PolarHBondContact O-N 2.95Å; I98-Q101 PolarHBondContact O-N 3.27Å; I98-W137 HydrophobicContact CG2-CH2 3.85Å; I98-W137 HydrophobicContact CG2-CZ2 4.34Å; I98-R145 HydrophobicContact CG2-CB 3.72Å; I98-R145 HydrophobicContact CG2-CG 4.38Å; I98-R145 PolarHBondContact O-NH1 3.41Å; I98-L149 HydrophobicContact CG1-CD1 4.39Å; I98-L149 HydrophobicContact CG2-CB 4.49Å; I98-T182 HydrophobicContact CD1-CG2 4.16Å
99	M	97.3	Very high	95.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-65.3	-39.1	177.9	-72.8	-171.3	176.1	0	0	112.6	V95 S96 Q101 T103 V108 Y112 W115 W137 L140 R145	V95-M99 HydrophobicContact CG1-CE 3.9Å; V95-M99 HydrophobicContact CG1-SD 4.24Å; V95-M99 WeakPolarHBondContact O-CG 3.3Å; V95-M99 PolarHBondContact O-N 3.19Å; S96-M99 PolarHBondContact O-N 3.26Å; M99-Q101 VanDerWaalsContact C-N 3.27Å; M99-Q101 PolarHBondContact O-N 3.49Å; M99-T103 WeakPolarHBondContact O-CB 3.34Å; M99-T103 PolarHBondContact O-OG1 2.89Å; M99-T103 VanDerWaalsContact O-OG1 3.12Å; M99-V108 HydrophobicContact CB-CG1 3.57Å; M99-V108 HydrophobicContact CB-CG2 4.14Å; M99-V108 HydrophobicContact CG-CG1 4.44Å; M99-V108 HydrophobicContact SD-CG1 4.06Å; M99-Y112 HydrophobicContact SD-CD2 4.46Å; M99-W115 HydrophobicContact CE-CB 3.69Å; M99-W115 HydrophobicContact CE-CD2 3.7Å; M99-W115 HydrophobicContact CE-CE3 3.77Å; M99-W115 HydrophobicContact CE-CG 3.7Å; M99-W137 HydrophobicContact CB-CH2 4.45Å; M99-W137 HydrophobicContact CE-CE3 4.36Å; M99-W137 HydrophobicContact CE-CZ3 3.86Å; M99-W137 HydrophobicContact CG-CH2 3.59Å; M99-W137 HydrophobicContact CG-CZ2 4.41Å; M99-W137 HydrophobicContact CG-CZ3 3.88Å; M99-L140 HydrophobicContact CB-CD2 4.06Å; M99-L140 HydrophobicContact CG-CD2 3.78Å; M99-L140 HydrophobicContact SD-CD2 4.3Å; M99-R145 PolarHBondContact O-NH1 3.25Å
100	L	95.9	Very high	95.4	Very high	36 Å²	36	37.4 Å²	37.4	19%	0.188	20%	0.2	C	C	.	.	H	α-helix	trans	-72.3	-14.9	-177.7	-73.8	165.7	0	0	0	114.1	W76 S96 Q102 T103 V105 V108	W76-L100 HydrophobicContact CH2-CD2 4.31Å; W76-L100 HydrophobicContact CZ2-CD1 3.92Å; W76-L100 HydrophobicContact CZ2-CD2 4.05Å; W76-L100 HydrophobicContact CZ2-CG 4.41Å; S96-L100 WeakPolarHBondContact O-CB 3.42Å; S96-L100 WeakPolarHBondContact O-CD1 3.33Å; S96-L100 VanDerWaalsContact O-CG 3.24Å; S96-L100 WeakPolarHBondContact O-CG 3.48Å; S96-L100 PolarHBondContact O-N 2.99Å; L100-Q102 PolarHBondContact O-N 3.43Å; L100-T103 PolarHBondContact O-N 3.37Å; L100-V105 HydrophobicContact CD2-CB 4.38Å; L100-V105 HydrophobicContact CD2-CG2 3.71Å; L100-V108 HydrophobicContact CD2-CB 4.13Å; L100-V108 HydrophobicContact CD2-CG1 4.31Å; L100-V108 HydrophobicContact CD2-CG2 3.96Å; L100-V108 HydrophobicContact CG-CG1 4.31Å; L100-V108 HydrophobicContact CG-CG2 4.41Å
101	Q	92.7	Very high	95.3	Very high	57 Å²	57	39.4 Å²	39.4	27%	0.266	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	113.3	174.6	-72.7	173.5	6.6	0	0	111.3	E97 I98 M99 T103 R145 T182	E97-Q101 WeakPolarHBondContact O-CG 3.3Å; E97-Q101 PolarHBondContact O-N 3.5Å; I98-Q101 PolarHBondContact O-N 3.27Å; M99-Q101 VanDerWaalsContact C-N 3.27Å; M99-Q101 PolarHBondContact O-N 3.49Å; Q101-T103 PolarHBondContact O-N 2.94Å; Q101-T103 PolarHBondContact O-OG1 3.39Å; Q101-T103 VanDerWaalsContact O-OG1 3.08Å; Q101-R145 VanDerWaalsContact O-CZ 3.29Å; Q101-R145 PolarHBondContact O-NH1 3.17Å; Q101-T182 PolarHBondContact NE2-OG1 3.24Å
102	Q	86.7	Confident	95.3	Very high	152 Å²	152	39.5 Å²	39.5	71%	0.71	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	24.6	179.6	-50.6	-173.6	26.4	0	0	114.1	L100 Y142	L100-Q102 PolarHBondContact O-N 3.43Å; Q102-Y142 HydrophobicContact CB-CE2 4.14Å; Q102-Y142 PolarHBondContact OE1-OH 3.46Å
103	T	90.5	Very high	95.3	Very high	21 Å²	21	43.1 Å²	43.1	13%	0.129	23%	0.227	C	C	.	.	S	Bend	trans	-131.6	138.9	-179.3	-47.2	0	0	0	0	109.6	M99 L100 Q101 T107 V108 L140 R145	M99-T103 WeakPolarHBondContact O-CB 3.34Å; M99-T103 PolarHBondContact O-OG1 2.89Å; M99-T103 VanDerWaalsContact O-OG1 3.12Å; L100-T103 PolarHBondContact O-N 3.37Å; Q101-T103 PolarHBondContact O-N 2.94Å; Q101-T103 PolarHBondContact O-OG1 3.39Å; Q101-T103 VanDerWaalsContact O-OG1 3.08Å; T103-T107 HydrophobicContact CG2-CG2 4.36Å; T103-V108 HydrophobicContact CG2-CG2 3.68Å; T103-L140 HydrophobicContact CG2-CD1 3.75Å; T103-L140 HydrophobicContact CG2-CG 4.21Å; T103-R145 PolarHBondContact OG1-NH1 2.98Å; T103-R145 PolarHBondContact OG1-NH2 3.18Å; T103-R145 VanDerWaalsContact OG1-NH2 3.09Å
104	Q	90.1	Very high	95.3	Very high	146 Å²	146	48.4 Å²	48.4	68%	0.682	25%	0.247	S	C	*	.			trans	-73.2	142.4	-176.4	-62.7	-59.8	-35.3	0	0	111.7	A106 T107 V108	Q104-A106 VanDerWaalsContact C-N 3.27Å; Q104-A106 PolarHBondContact O-N 3.17Å; Q104-T107 WeakPolarHBondContact O-CB 3.23Å; Q104-T107 PolarHBondContact O-N 3.12Å; Q104-V108 PolarHBondContact O-N 3.43Å; Q104-V108 VanDerWaalsContact O-N 3.14Å
105	V	92.2	Very high	95.3	Very high	29 Å²	29	48.4 Å²	48.4	18%	0.176	25%	0.247	C	C	.	.	H	α-helix	trans	-52.6	-43.7	-180	171.3	0	0	0	0	112.2	L74 W76 L100 T107 V108 K109	L74-V105 HydrophobicContact CD1-CG1 4.3Å; L74-V105 HydrophobicContact CD2-CG1 3.55Å; W76-V105 HydrophobicContact CH2-CG1 4.03Å; W76-V105 HydrophobicContact CZ2-CG1 3.97Å; L100-V105 HydrophobicContact CD2-CB 4.38Å; L100-V105 HydrophobicContact CD2-CG2 3.71Å; V105-T107 VanDerWaalsContact C-N 3.27Å; V105-T107 PolarHBondContact O-N 2.92Å; V105-V108 PolarHBondContact O-N 3.45Å; V105-V108 VanDerWaalsContact O-N 3.15Å; V105-K109 PolarHBondContact O-N 3.39Å
106	A	92.6	Very high	95.3	Very high	78 Å²	78	49.4 Å²	49.4	65%	0.645	25%	0.252	S	S	*	.	H	α-helix	trans	-58.9	-38.7	-179.6	0	0	0	0	0	112.4	Q104	Q104-A106 VanDerWaalsContact C-N 3.27Å; Q104-A106 PolarHBondContact O-N 3.17Å
107	T	92.7	Very high	95.3	Very high	65 Å²	65	58.1 Å²	58.1	40%	0.399	29%	0.29	S	S	.	.	H	α-helix	trans	-71	-40.2	176.5	-51.4	0	0	0	0	111.6	T103 Q104 V105 K109 Y111 L140	T103-T107 HydrophobicContact CG2-CG2 4.36Å; Q104-T107 WeakPolarHBondContact O-CB 3.23Å; Q104-T107 PolarHBondContact O-N 3.12Å; V105-T107 VanDerWaalsContact C-N 3.27Å; V105-T107 PolarHBondContact O-N 2.92Å; T107-K109 VanDerWaalsContact C-N 3.34Å; T107-K109 PolarHBondContact O-N 3.29Å; T107-Y111 HydrophobicContact CG2-CE2 4.18Å; T107-Y111 VanDerWaalsContact O-CD2 3.28Å; T107-Y111 WeakPolarHBondContact O-CD2 3.43Å; T107-L140 HydrophobicContact CG2-CD1 4.16Å
108	V	96.8	Very high	95.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68	-30.6	-173.6	174.1	0	0	0	0	112.9	W76 M99 L100 T103 Q104 V105 D110 Y111 Y112 L140	W76-V108 HydrophobicContact CH2-CB 4.13Å; W76-V108 HydrophobicContact CH2-CG1 3.91Å; W76-V108 HydrophobicContact CZ3-CB 4.31Å; W76-V108 HydrophobicContact CZ3-CG1 3.73Å; M99-V108 HydrophobicContact CB-CG1 3.57Å; M99-V108 HydrophobicContact CB-CG2 4.14Å; M99-V108 HydrophobicContact CG-CG1 4.44Å; M99-V108 HydrophobicContact SD-CG1 4.06Å; L100-V108 HydrophobicContact CD2-CB 4.13Å; L100-V108 HydrophobicContact CD2-CG1 4.31Å; L100-V108 HydrophobicContact CD2-CG2 3.96Å; L100-V108 HydrophobicContact CG-CG1 4.31Å; L100-V108 HydrophobicContact CG-CG2 4.41Å; T103-V108 HydrophobicContact CG2-CG2 3.68Å; Q104-V108 PolarHBondContact O-N 3.43Å; Q104-V108 VanDerWaalsContact O-N 3.14Å; V105-V108 PolarHBondContact O-N 3.45Å; V105-V108 VanDerWaalsContact O-N 3.15Å; V108-D110 PolarHBondContact O-N 3.48Å; V108-Y111 PolarHBondContact O-N 2.91Å; V108-Y111 VanDerWaalsContact O-N 3.14Å; V108-Y112 WeakPolarHBondContact O-CB 3.46Å; V108-Y112 PolarHBondContact O-N 3.26Å; V108-L140 HydrophobicContact CG2-CD1 4.49Å
109	K	96.3	Very high	95.4	Very high	71 Å²	71	64.4 Å²	64.4	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	-48.2	-53.5	-177.6	-74.7	-175.7	173.8	-160.9	0	113.4	E73 W76 V105 T107 Y112 N113	E73-K109 PolarHBondContact O-NZ 3.07Å; W76-K109 HydrophobicContact CH2-CG 4.14Å; W76-K109 HydrophobicContact CZ3-CG 4.2Å; V105-K109 PolarHBondContact O-N 3.39Å; T107-K109 VanDerWaalsContact C-N 3.34Å; T107-K109 PolarHBondContact O-N 3.29Å; K109-Y112 PolarHBondContact O-N 3.01Å; K109-N113 PolarHBondContact O-N 3.26Å; K109-N113 PolarHBondContact O-ND2 3.27Å
110	D	95.8	Very high	95.4	Very high	108 Å²	108	67.1 Å²	67.1	58%	0.578	33%	0.33	S	S	*	.	H	α-helix	trans	-72	-32.3	-176	-62.8	-23.4	0	0	0	112.6	V108 R114	V108-D110 PolarHBondContact O-N 3.48Å; D110-R114 WeakPolarHBondContact O-CG 3.29Å; D110-R114 PolarHBondContact O-N 2.67Å; D110-R114 PolarHBondContact O-NE 2.84Å
111	Y	97.5	Very high	95.6	Very high	42 Å²	42	66.9 Å²	66.9	17%	0.165	33%	0.33	C	S	.	.	H	α-helix	trans	-70.2	-44.6	176	-76.4	-102.1	0	0	0	111	T107 V108 R114 W115 A138 L140	T107-Y111 HydrophobicContact CG2-CE2 4.18Å; T107-Y111 VanDerWaalsContact O-CD2 3.28Å; T107-Y111 WeakPolarHBondContact O-CD2 3.43Å; V108-Y111 PolarHBondContact O-N 2.91Å; V108-Y111 VanDerWaalsContact O-N 3.14Å; Y111-R114 VanDerWaalsContact CD1-NH2 3.29Å; Y111-R114 PolarHBondContact O-N 2.78Å; Y111-W115 WeakPolarHBondContact O-CB 3.22Å; Y111-W115 PolarHBondContact O-N 2.83Å; Y111-A138 WeakPolarHBondContact CE1-O 3.4Å; Y111-A138 PolarHBondContact OH-O 3.43Å; Y111-A138 VanDerWaalsContact OH-O 3.11Å; Y111-L140 HydrophobicContact CD1-CB 4.2Å; Y111-L140 HydrophobicContact CD1-CD1 4.04Å; Y111-L140 HydrophobicContact CD1-CD2 4.45Å; Y111-L140 HydrophobicContact CD1-CG 4.48Å; Y111-L140 HydrophobicContact CD2-CD1 3.82Å; Y111-L140 HydrophobicContact CE1-CB 4.05Å; Y111-L140 HydrophobicContact CE1-CD1 4.3Å; Y111-L140 HydrophobicContact CE2-CD1 4.09Å; Y111-L140 HydrophobicContact CG-CD1 3.77Å
112	Y	98.6	Very high	95.8	Very high	3 Å²	3	64.2 Å²	64.2	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-60.1	-48.6	177.8	-177.2	-93.7	0	0	0	111.4	P75 W76 A92 V95 M99 V108 K109 R114 W115 M116	P75-Y112 HydrophobicContact CB-CD1 3.8Å; P75-Y112 HydrophobicContact CB-CE1 3.96Å; W76-Y112 HydrophobicContact CB-CE1 3.89Å; W76-Y112 HydrophobicContact CB-CE2 3.9Å; W76-Y112 AromaticContact CE3-CD1 3.95Å; W76-Y112 HydrophobicContact CE3-CD1 3.95Å; W76-Y112 HydrophobicContact CE3-CD2 4.18Å; W76-Y112 HydrophobicContact CE3-CE1 4.44Å; W76-Y112 AromaticContact CE3-CG 3.78Å; W76-Y112 HydrophobicContact CE3-CG 3.78Å; W76-Y112 HydrophobicContact CZ3-CG 4.36Å; A92-Y112 WeakPolarHBondContact CB-OH 3.28Å; A92-Y112 WeakPolarHBondContact O-CE2 3.28Å; A92-Y112 PolarHBondContact O-OH 3.22Å; V95-Y112 HydrophobicContact CB-CE2 4.21Å; V95-Y112 HydrophobicContact CG1-CD2 3.93Å; V95-Y112 HydrophobicContact CG1-CE2 4Å; M99-Y112 HydrophobicContact SD-CD2 4.46Å; V108-Y112 WeakPolarHBondContact O-CB 3.46Å; V108-Y112 PolarHBondContact O-N 3.26Å; K109-Y112 PolarHBondContact O-N 3.01Å; Y112-R114 PolarHBondContact O-N 3.32Å; Y112-W115 PolarHBondContact O-N 3.15Å; Y112-M116 HydrophobicContact CD1-CG 4.01Å; Y112-M116 HydrophobicContact CD2-CG 4.14Å; Y112-M116 HydrophobicContact CE1-CG 3.6Å; Y112-M116 HydrophobicContact CE2-CG 3.72Å; Y112-M116 HydrophobicContact CE2-SD 4.07Å; Y112-M116 HydrophobicContact CG-CG 4.27Å; Y112-M116 VanDerWaalsContact CZ-CG 3.44Å; Y112-M116 WeakPolarHBondContact O-CB 3.33Å; Y112-M116 WeakPolarHBondContact O-CG 3.29Å; Y112-M116 PolarHBondContact O-N 3.49Å
113	N	98.1	Very high	96.4	Very high	76 Å²	76	61 Å²	61	41%	0.406	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-45	179.8	-73.4	-20.1	0	0	0	112.3	P75 K109 K117	P75-N113 WeakPolarHBondContact CB-OD1 3.37Å; P75-N113 VanDerWaalsContact CG-OD1 3.28Å; P75-N113 WeakPolarHBondContact CG-OD1 3.35Å; K109-N113 PolarHBondContact O-N 3.26Å; K109-N113 PolarHBondContact O-ND2 3.27Å; N113-K117 VanDerWaalsContact O-CB 3.24Å; N113-K117 WeakPolarHBondContact O-CB 3.29Å; N113-K117 PolarHBondContact O-N 3.35Å
114	R	97.8	Very high	96.8	Very high	112 Å²	112	63 Å²	63	42%	0.423	31%	0.313	S	S	.	.	H	α-helix	trans	-65.6	-40.3	176.3	-70.5	-175.1	-57.5	128.4	2	111.9	D110 Y111 Y112 R118 M136	D110-R114 WeakPolarHBondContact O-CG 3.29Å; D110-R114 PolarHBondContact O-N 2.67Å; D110-R114 PolarHBondContact O-NE 2.84Å; Y111-R114 VanDerWaalsContact CD1-NH2 3.29Å; Y111-R114 PolarHBondContact O-N 2.78Å; Y112-R114 PolarHBondContact O-N 3.32Å; R114-R118 PolarHBondContact O-N 3.27Å; R114-R118 VanDerWaalsContact O-N 3.11Å; R114-M136 VanDerWaalsContact C-CE 3.5Å; R114-M136 HydrophobicContact CB-CE 3.88Å; R114-M136 VanDerWaalsContact O-CE 3.31Å; R114-M136 WeakPolarHBondContact O-CE 3.45Å
115	W	98.5	Very high	97.2	Very high	1 Å²	1	56 Å²	56	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-55.7	178.5	-177.1	-74.6	0	0	0	111.3	Y91 V95 M99 Y111 Y112 K117 R118 W119 L125 V133 M136 W137 L149	Y91-W115 AromaticContact CZ-NE1 3.96Å; Y91-W115 PolarHBondContact OH-NE1 2.84Å; V95-W115 HydrophobicContact CG1-CD2 4.48Å; V95-W115 HydrophobicContact CG1-CG 4.04Å; M99-W115 HydrophobicContact CE-CB 3.69Å; M99-W115 HydrophobicContact CE-CD2 3.7Å; M99-W115 HydrophobicContact CE-CE3 3.77Å; M99-W115 HydrophobicContact CE-CG 3.7Å; Y111-W115 WeakPolarHBondContact O-CB 3.22Å; Y111-W115 PolarHBondContact O-N 2.83Å; Y112-W115 PolarHBondContact O-N 3.15Å; W115-K117 PolarHBondContact O-N 3.31Å; W115-R118 PolarHBondContact O-N 3.25Å; W115-W119 AromaticContact CD2-CE3 3.77Å; W115-W119 HydrophobicContact CD2-CE3 3.77Å; W115-W119 AromaticContact CD2-CZ3 3.95Å; W115-W119 HydrophobicContact CD2-CZ3 3.95Å; W115-W119 AromaticContact CE2-CE3 3.78Å; W115-W119 AromaticContact CE3-CE3 3.96Å; W115-W119 HydrophobicContact CE3-CE3 3.96Å; W115-W119 AromaticContact CE3-CZ3 3.62Å; W115-W119 HydrophobicContact CE3-CZ3 3.62Å; W115-W119 HydrophobicContact CG-CE3 4.28Å; W115-W119 HydrophobicContact CH2-CE3 4.22Å; W115-W119 AromaticContact CH2-CZ3 3.91Å; W115-W119 HydrophobicContact CH2-CZ3 3.91Å; W115-W119 HydrophobicContact CZ2-CE3 4.06Å; W115-W119 HydrophobicContact CZ2-CZ3 4.22Å; W115-W119 HydrophobicContact CZ3-CE3 4.15Å; W115-W119 AromaticContact CZ3-CZ3 3.57Å; W115-W119 HydrophobicContact CZ3-CZ3 3.57Å; W115-W119 PolarHBondContact O-N 3.28Å; W115-L125 HydrophobicContact CH2-CD1 3.82Å; W115-L125 HydrophobicContact CZ2-CD1 3.39Å; W115-L125 HydrophobicContact CZ2-CD2 3.67Å; W115-L125 HydrophobicContact CZ2-CG 4.18Å; W115-V133 HydrophobicContact CH2-CG1 3.97Å; W115-V133 HydrophobicContact CZ3-CG1 4.33Å; W115-M136 HydrophobicContact CE3-CB 4.08Å; W115-M136 HydrophobicContact CZ3-CB 4.2Å; W115-W137 HydrophobicContact CE3-CE3 4.15Å; W115-W137 HydrophobicContact CE3-CZ3 4.42Å; W115-W137 HydrophobicContact CH2-CE3 4.01Å; W115-W137 HydrophobicContact CH2-CZ3 4.17Å; W115-W137 AromaticContact CZ3-CE3 3.57Å; W115-W137 HydrophobicContact CZ3-CE3 3.57Å; W115-W137 HydrophobicContact CZ3-CZ3 4.02Å; W115-L149 HydrophobicContact CH2-CD2 4.14Å; W115-L149 HydrophobicContact CZ2-CD2 3.6Å; W115-L149 HydrophobicContact CZ2-CG 4.32Å
116	M	98.4	Very high	97.5	Very high	21 Å²	21	55.3 Å²	55.3	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-26.4	-179.2	-64.5	-53.8	-59.6	0	0	112.6	L79 Y91 A92 V95 Y112 P120	L79-M116 HydrophobicContact CD1-CE 4.11Å; Y91-M116 HydrophobicContact CD1-CE 3.86Å; Y91-M116 HydrophobicContact CD1-SD 4.43Å; Y91-M116 HydrophobicContact CE1-CE 3.66Å; Y91-M116 HydrophobicContact CE1-SD 3.85Å; A92-M116 HydrophobicContact CB-CE 3.68Å; A92-M116 HydrophobicContact CB-SD 4.45Å; V95-M116 HydrophobicContact CB-SD 4.24Å; V95-M116 HydrophobicContact CG1-SD 4.22Å; V95-M116 HydrophobicContact CG2-SD 4.17Å; Y112-M116 HydrophobicContact CD1-CG 4.01Å; Y112-M116 HydrophobicContact CD2-CG 4.14Å; Y112-M116 HydrophobicContact CE1-CG 3.6Å; Y112-M116 HydrophobicContact CE2-CG 3.72Å; Y112-M116 HydrophobicContact CE2-SD 4.07Å; Y112-M116 HydrophobicContact CG-CG 4.27Å; Y112-M116 VanDerWaalsContact CZ-CG 3.44Å; Y112-M116 WeakPolarHBondContact O-CB 3.33Å; Y112-M116 WeakPolarHBondContact O-CG 3.29Å; Y112-M116 PolarHBondContact O-N 3.49Å; M116-P120 VanDerWaalsContact O-CA 3.24Å; M116-P120 WeakPolarHBondContact O-CA 3.18Å; M116-P120 WeakPolarHBondContact O-CB 3.48Å
117	K	98.3	Very high	97.8	Very high	185 Å²	185	55.8 Å²	55.8	80%	0.804	28%	0.282	S	S	*	.	H	α-helix	trans	-69.3	-37.6	171.1	-177.4	176.9	-179.9	179.2	0	112.5	N113 W115	N113-K117 VanDerWaalsContact O-CB 3.24Å; N113-K117 WeakPolarHBondContact O-CB 3.29Å; N113-K117 PolarHBondContact O-N 3.35Å; W115-K117 PolarHBondContact O-N 3.31Å
118	R	98.3	Very high	98	Very high	140 Å²	140	53.2 Å²	53.2	53%	0.528	27%	0.266	S	S	.	.	H	α-helix	trans	-81.6	-41.2	-178.4	177.6	59.1	174.9	161	-0.5	111.9	R114 W115 E132 M136	R114-R118 PolarHBondContact O-N 3.27Å; R114-R118 VanDerWaalsContact O-N 3.11Å; W115-R118 PolarHBondContact O-N 3.25Å; R118-E132 IonicContact CZ-OE1 3.39Å; R118-E132 IonicContact NH2-OE1 3.55Å; R118-E132 PolarHBondContact NH2-OE1 3.32Å; R118-M136 HydrophobicContact CB-CE 4Å
119	W	98.6	Very high	97.9	Very high	8 Å²	8	56.3 Å²	56.3	3%	0.03	29%	0.286	C	S	.	.			trans	-129.8	82.2	-179.3	-57.1	-57.3	0	0	0	108.9	Y91 W115 T121 D124 L125 A128 E132 V133 M136	Y91-W119 WeakPolarHBondContact CE1-O 3.28Å; Y91-W119 PolarHBondContact OH-O 3.46Å; W115-W119 AromaticContact CD2-CE3 3.77Å; W115-W119 HydrophobicContact CD2-CE3 3.77Å; W115-W119 AromaticContact CD2-CZ3 3.95Å; W115-W119 HydrophobicContact CD2-CZ3 3.95Å; W115-W119 AromaticContact CE2-CE3 3.78Å; W115-W119 AromaticContact CE3-CE3 3.96Å; W115-W119 HydrophobicContact CE3-CE3 3.96Å; W115-W119 AromaticContact CE3-CZ3 3.62Å; W115-W119 HydrophobicContact CE3-CZ3 3.62Å; W115-W119 HydrophobicContact CG-CE3 4.28Å; W115-W119 HydrophobicContact CH2-CE3 4.22Å; W115-W119 AromaticContact CH2-CZ3 3.91Å; W115-W119 HydrophobicContact CH2-CZ3 3.91Å; W115-W119 HydrophobicContact CZ2-CE3 4.06Å; W115-W119 HydrophobicContact CZ2-CZ3 4.22Å; W115-W119 HydrophobicContact CZ3-CE3 4.15Å; W115-W119 AromaticContact CZ3-CZ3 3.57Å; W115-W119 HydrophobicContact CZ3-CZ3 3.57Å; W115-W119 PolarHBondContact O-N 3.28Å; W119-T121 VanDerWaalsContact C-N 3.29Å; W119-D124 HydrophobicContact CB-CB 4.01Å; W119-D124 VanDerWaalsContact CD1-C 3.43Å; W119-D124 HydrophobicContact CG-CB 4.35Å; W119-L125 HydrophobicContact CB-CB 4.1Å; W119-L125 HydrophobicContact CD2-CD1 4.01Å; W119-L125 HydrophobicContact CE3-CD1 3.9Å; W119-L125 HydrophobicContact CG-CB 4.3Å; W119-L125 HydrophobicContact CG-CD1 4.41Å; W119-L125 HydrophobicContact CZ3-CD1 4.31Å; W119-A128 HydrophobicContact CZ2-CB 3.65Å; W119-E132 HydrophobicContact CH2-CB 4.29Å; W119-E132 HydrophobicContact CZ2-CB 3.95Å; W119-V133 HydrophobicContact CH2-CG2 4.04Å; W119-V133 HydrophobicContact CZ2-CG2 4.43Å; W119-V133 HydrophobicContact CZ3-CG2 4.48Å; W119-M136 HydrophobicContact CH2-CB 3.82Å; W119-M136 HydrophobicContact CH2-CG 3.45Å; W119-M136 VanDerWaalsContact CH2-CG 3.45Å; W119-M136 HydrophobicContact CZ2-CG 4.43Å; W119-M136 HydrophobicContact CZ3-CB 3.66Å; W119-M136 HydrophobicContact CZ3-CG 3.61Å
120	P	98.1	Very high	97.7	Very high	59 Å²	59	55.2 Å²	55.2	38%	0.383	28%	0.283	S	S	.	.			trans	-70	-26.7	-179.8	25.2	-31.9	0	0	0	112.8	Y91 M116 D124	Y91-P120 WeakPolarHBondContact CD1-O 3.32Å; M116-P120 VanDerWaalsContact O-CA 3.24Å; M116-P120 WeakPolarHBondContact O-CA 3.18Å; M116-P120 WeakPolarHBondContact O-CB 3.48Å; P120-D124 WeakPolarHBondContact CD-OD2 3.15Å; P120-D124 VanDerWaalsContact CG-OD2 3.3Å; P120-D124 WeakPolarHBondContact CG-OD2 3.39Å
121	T	98.6	Very high	97.4	Very high	30 Å²	30	53.7 Å²	53.7	18%	0.184	27%	0.272	C	S	.	.	S	Bend	trans	-118.2	164.8	-180	74.2	0	0	0	0	113	I88 W119 Q123 D124 L125	I88-T121 HydrophobicContact CD1-CG2 4.29Å; I88-T121 HydrophobicContact CG1-CG2 4.28Å; W119-T121 VanDerWaalsContact C-N 3.29Å; T121-Q123 PolarHBondContact O-N 2.94Å; T121-Q123 PolarHBondContact OG1-N 2.81Å; T121-Q123 PolarHBondContact OG1-OE1 3.15Å; T121-D124 WeakPolarHBondContact CB-OD2 3.44Å; T121-D124 PolarHBondContact N-OD2 3.43Å; T121-D124 PolarHBondContact O-N 3.11Å; T121-D124 PolarHBondContact OG1-N 3.22Å; T121-D124 PolarHBondContact OG1-OD2 3.43Å; T121-L125 PolarHBondContact O-N 3.22Å
122	V	98.4	Very high	97.2	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-31.1	174.6	67.5	0	0	0	0	111.7	Y91 L125 A126 A153 V156 M164	Y91-V122 HydrophobicContact CD2-CB 3.88Å; Y91-V122 HydrophobicContact CD2-CG2 4.24Å; Y91-V122 HydrophobicContact CE2-CB 4.42Å; Y91-V122 HydrophobicContact CG-CB 4.21Å; V122-L125 PolarHBondContact O-N 3.06Å; V122-A126 VanDerWaalsContact O-CB 3.3Å; V122-A126 WeakPolarHBondContact O-CB 3.47Å; V122-A126 PolarHBondContact O-N 3.38Å; V122-A153 HydrophobicContact CG2-CB 3.65Å; V122-V156 HydrophobicContact CG1-CG1 4.02Å; V122-V156 HydrophobicContact CG2-CB 4.01Å; V122-V156 HydrophobicContact CG2-CG1 4.02Å; V122-V156 HydrophobicContact CG2-CG2 4.46Å; V122-M164 HydrophobicContact CB-SD 4.23Å; V122-M164 HydrophobicContact CG1-SD 4.29Å; V122-M164 HydrophobicContact CG2-SD 4.1Å
123	Q	98.6	Very high	97	Very high	84 Å²	84	54 Å²	54	39%	0.393	28%	0.275	S	S	.	.	H	α-helix	trans	-65.1	-45	176.4	-65.4	79.6	-9.1	0	0	111.2	T121 L125 A126 A127 V157	T121-Q123 PolarHBondContact O-N 2.94Å; T121-Q123 PolarHBondContact OG1-N 2.81Å; T121-Q123 PolarHBondContact OG1-OE1 3.15Å; Q123-L125 VanDerWaalsContact C-N 3.31Å; Q123-L125 PolarHBondContact O-N 2.84Å; Q123-A126 PolarHBondContact O-N 2.87Å; Q123-A127 PolarHBondContact O-N 3.14Å; Q123-V157 HydrophobicContact CB-CG2 4.48Å; Q123-V157 HydrophobicContact CG-CG2 4.13Å
124	D	98.6	Very high	96.7	Very high	63 Å²	63	50.6 Å²	50.6	34%	0.337	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-42.5	178.7	-57.9	-52.5	0	0	0	111.1	W119 P120 T121 A128	W119-D124 HydrophobicContact CB-CB 4.01Å; W119-D124 VanDerWaalsContact CD1-C 3.43Å; W119-D124 HydrophobicContact CG-CB 4.35Å; P120-D124 WeakPolarHBondContact CD-OD2 3.15Å; P120-D124 VanDerWaalsContact CG-OD2 3.3Å; P120-D124 WeakPolarHBondContact CG-OD2 3.39Å; T121-D124 WeakPolarHBondContact CB-OD2 3.44Å; T121-D124 PolarHBondContact N-OD2 3.43Å; T121-D124 PolarHBondContact O-N 3.11Å; T121-D124 PolarHBondContact OG1-N 3.22Å; T121-D124 PolarHBondContact OG1-OD2 3.43Å; D124-A128 PolarHBondContact O-N 2.86Å
125	L	98.6	Very high	96.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-41.7	176.1	178.1	62	0	0	0	111.8	Y91 W115 W119 T121 V122 Q123 A127 A128 V133 L149 H150 A153	Y91-L125 HydrophobicContact CE2-CB 4.27Å; Y91-L125 HydrophobicContact CE2-CD2 3.76Å; W115-L125 HydrophobicContact CH2-CD1 3.82Å; W115-L125 HydrophobicContact CZ2-CD1 3.39Å; W115-L125 HydrophobicContact CZ2-CD2 3.67Å; W115-L125 HydrophobicContact CZ2-CG 4.18Å; W119-L125 HydrophobicContact CB-CB 4.1Å; W119-L125 HydrophobicContact CD2-CD1 4.01Å; W119-L125 HydrophobicContact CE3-CD1 3.9Å; W119-L125 HydrophobicContact CG-CB 4.3Å; W119-L125 HydrophobicContact CG-CD1 4.41Å; W119-L125 HydrophobicContact CZ3-CD1 4.31Å; T121-L125 PolarHBondContact O-N 3.22Å; V122-L125 PolarHBondContact O-N 3.06Å; Q123-L125 VanDerWaalsContact C-N 3.31Å; Q123-L125 PolarHBondContact O-N 2.84Å; L125-A127 PolarHBondContact O-N 3.18Å; L125-A128 VanDerWaalsContact O-CB 3.25Å; L125-A128 WeakPolarHBondContact O-CB 3.47Å; L125-A128 PolarHBondContact O-N 3.34Å; L125-A128 VanDerWaalsContact O-N 3.13Å; L125-V133 HydrophobicContact CD1-CG2 3.89Å; L125-L149 HydrophobicContact CD2-CG 3.99Å; L125-H150 PolarHBondContact O-CD2 3.28Å; L125-H150 PolarHBondContact O-NE2 2.71Å; L125-A153 HydrophobicContact CB-CB 4.19Å; L125-A153 HydrophobicContact CD2-CB 3.72Å; L125-A153 HydrophobicContact CG-CB 3.87Å
126	A	98.4	Very high	96.1	Very high	14 Å²	14	51.6 Å²	51.6	12%	0.116	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-30.9	-179.8	0	0	0	0	0	113	V122 Q123 A128 A153 Q154 V157	V122-A126 VanDerWaalsContact O-CB 3.3Å; V122-A126 WeakPolarHBondContact O-CB 3.47Å; V122-A126 PolarHBondContact O-N 3.38Å; Q123-A126 PolarHBondContact O-N 2.87Å; A126-A128 VanDerWaalsContact C-N 3.31Å; A126-A153 HydrophobicContact CB-CB 4.26Å; A126-Q154 HydrophobicContact CB-CG 4.25Å; A126-V157 HydrophobicContact CB-CB 4.12Å; A126-V157 HydrophobicContact CB-CG2 3.55Å
127	A	98.3	Very high	95.9	Very high	88 Å²	88	50.7 Å²	50.7	73%	0.727	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.3	177.1	0	0	0	0	0	113.5	Q123 L125	Q123-A127 PolarHBondContact O-N 3.14Å; L125-A127 PolarHBondContact O-N 3.18Å
128	A	98.1	Very high	95.5	Very high	10 Å²	10	42.7 Å²	42.7	8%	0.083	23%	0.231	C	C	.	.	S	Bend	trans	-69.9	155.4	-178.9	0	0	0	0	0	112.3	W119 D124 L125 A126 V133 H150	W119-A128 HydrophobicContact CZ2-CB 3.65Å; D124-A128 PolarHBondContact O-N 2.86Å; L125-A128 VanDerWaalsContact O-CB 3.25Å; L125-A128 WeakPolarHBondContact O-CB 3.47Å; L125-A128 PolarHBondContact O-N 3.34Å; L125-A128 VanDerWaalsContact O-N 3.13Å; A126-A128 VanDerWaalsContact C-N 3.31Å; A128-V133 HydrophobicContact CB-CG2 4.12Å; A128-H150 PolarHBondContact O-CE1 3.47Å; A128-H150 PolarHBondContact O-NE2 3.34Å
129	T	95.2	Very high	94.9	Very high	66 Å²	66	37.6 Å²	37.6	41%	0.405	22%	0.222	S	C	.	.			trans	-79.2	153.5	167.1	62.4	0	0	0	0	110.7	E131 E132 V133	T129-E131 PolarHBondContact O-N 3.15Å; T129-E132 PolarHBondContact N-OE2 2.96Å; T129-E132 PolarHBondContact O-N 2.96Å; T129-E132 VanDerWaalsContact OG1-CG 3.22Å; T129-E132 WeakPolarHBondContact OG1-CG 3.49Å; T129-E132 PolarHBondContact OG1-N 2.91Å; T129-E132 PolarHBondContact OG1-OE2 2.94Å; T129-V133 WeakPolarHBondContact O-CG2 3.44Å; T129-V133 PolarHBondContact O-N 3.4Å; T129-V133 VanDerWaalsContact O-N 3.11Å
130	I	91.4	Very high	94.4	Very high	47 Å²	47	37.7 Å²	37.7	24%	0.241	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-28.5	175.6	-175.7	55.8	0	0	0	111.5	V133 N134 R147	I130-V133 HydrophobicContact CD1-CB 4.37Å; I130-V133 HydrophobicContact CD1-CG1 4.38Å; I130-V133 PolarHBondContact O-N 3.15Å; I130-N134 WeakPolarHBondContact O-CB 3.18Å; I130-N134 PolarHBondContact O-N 3.47Å; I130-N134 PolarHBondContact O-ND2 3.24Å; I130-N134 VanDerWaalsContact O-ND2 3.15Å; I130-R147 HydrophobicContact CD1-CB 4.12Å; I130-R147 HydrophobicContact CD1-CG 3.86Å
131	E	88.4	Confident	93.9	Very high	77 Å²	77	36.1 Å²	36.1	36%	0.36	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-50.1	173.5	-71.3	66.2	-147	0	0	111.5	T129 V133 N134 Q135	T129-E131 PolarHBondContact O-N 3.15Å; E131-V133 VanDerWaalsContact C-N 3.33Å; E131-V133 PolarHBondContact O-N 3.06Å; E131-N134 PolarHBondContact O-N 3.41Å; E131-Q135 WeakPolarHBondContact O-CG 3.38Å; E131-Q135 PolarHBondContact O-N 3.11Å
132	E	93.6	Very high	93.4	Very high	52 Å²	52	39.2 Å²	39.2	24%	0.243	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-42.7	175.6	-72.7	168.6	113.2	0	0	111.5	R118 W119 T129 N134 Q135 M136	R118-E132 IonicContact CZ-OE1 3.39Å; R118-E132 IonicContact NH2-OE1 3.55Å; R118-E132 PolarHBondContact NH2-OE1 3.32Å; W119-E132 HydrophobicContact CH2-CB 4.29Å; W119-E132 HydrophobicContact CZ2-CB 3.95Å; T129-E132 PolarHBondContact N-OE2 2.96Å; T129-E132 PolarHBondContact O-N 2.96Å; T129-E132 VanDerWaalsContact OG1-CG 3.22Å; T129-E132 WeakPolarHBondContact OG1-CG 3.49Å; T129-E132 PolarHBondContact OG1-N 2.91Å; T129-E132 PolarHBondContact OG1-OE2 2.94Å; E132-N134 PolarHBondContact O-N 2.92Å; E132-Q135 WeakPolarHBondContact O-CB 3.36Å; E132-Q135 PolarHBondContact O-N 3.29Å; E132-M136 WeakPolarHBondContact O-CG 3.48Å; E132-M136 PolarHBondContact O-N 2.82Å
133	V	95.6	Very high	92.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-46.1	176.3	169.4	0	0	0	0	111	W115 W119 L125 A128 T129 I130 E131 Q135 M136 W137 H150	W115-V133 HydrophobicContact CH2-CG1 3.97Å; W115-V133 HydrophobicContact CZ3-CG1 4.33Å; W119-V133 HydrophobicContact CH2-CG2 4.04Å; W119-V133 HydrophobicContact CZ2-CG2 4.43Å; W119-V133 HydrophobicContact CZ3-CG2 4.48Å; L125-V133 HydrophobicContact CD1-CG2 3.89Å; A128-V133 HydrophobicContact CB-CG2 4.12Å; T129-V133 WeakPolarHBondContact O-CG2 3.44Å; T129-V133 PolarHBondContact O-N 3.4Å; T129-V133 VanDerWaalsContact O-N 3.11Å; I130-V133 HydrophobicContact CD1-CB 4.37Å; I130-V133 HydrophobicContact CD1-CG1 4.38Å; I130-V133 PolarHBondContact O-N 3.15Å; E131-V133 VanDerWaalsContact C-N 3.33Å; E131-V133 PolarHBondContact O-N 3.06Å; V133-Q135 VanDerWaalsContact C-N 3.32Å; V133-Q135 PolarHBondContact O-N 3.46Å; V133-M136 PolarHBondContact O-N 3.26Å; V133-W137 WeakPolarHBondContact O-CB 3.44Å; V133-W137 PolarHBondContact O-N 2.8Å; V133-H150 HydrophobicContact CG1-CB 4.27Å; V133-H150 HydrophobicContact CG2-CB 4.12Å
134	N	91.1	Very high	92.5	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-36	178.3	-72.8	-31.1	0	0	0	112.2	I130 E131 E132 A138 L365 A452	I130-N134 WeakPolarHBondContact O-CB 3.18Å; I130-N134 PolarHBondContact O-N 3.47Å; I130-N134 PolarHBondContact O-ND2 3.24Å; I130-N134 VanDerWaalsContact O-ND2 3.15Å; E131-N134 PolarHBondContact O-N 3.41Å; E132-N134 PolarHBondContact O-N 2.92Å; N134-A138 PolarHBondContact O-N 3.36Å; N134-L365 HydrophobicContact CB-CD2 4.42Å; N134-A452 HydrophobicContact CB-CB 3.62Å
135	Q	90.4	Very high	92.3	Very high	97 Å²	97	36.7 Å²	36.7	45%	0.453	22%	0.217	S	C	.	.	H	α-helix	trans	-65	-46.1	174.5	-73.9	170.8	-12.4	0	0	111.3	E131 E132 V133 W137 A138 A452	E131-Q135 WeakPolarHBondContact O-CG 3.38Å; E131-Q135 PolarHBondContact O-N 3.11Å; E132-Q135 WeakPolarHBondContact O-CB 3.36Å; E132-Q135 PolarHBondContact O-N 3.29Å; V133-Q135 VanDerWaalsContact C-N 3.32Å; V133-Q135 PolarHBondContact O-N 3.46Å; Q135-W137 VanDerWaalsContact C-N 3.29Å; Q135-W137 PolarHBondContact O-N 2.8Å; Q135-A138 WeakPolarHBondContact O-CB 3.26Å; Q135-A138 PolarHBondContact O-N 3.26Å; Q135-A138 VanDerWaalsContact O-N 3.15Å; Q135-A452 HydrophobicContact CG-CB 4.41Å
136	M	94.1	Very high	92.1	Very high	38 Å²	38	36.7 Å²	36.7	19%	0.187	22%	0.217	C	C	.	.	H	α-helix	trans	-67.6	-30.2	178.2	-71.5	-66.2	-73.1	0	0	112.8	R114 W115 R118 W119 E132 V133 A138	R114-M136 VanDerWaalsContact C-CE 3.5Å; R114-M136 HydrophobicContact CB-CE 3.88Å; R114-M136 VanDerWaalsContact O-CE 3.31Å; R114-M136 WeakPolarHBondContact O-CE 3.45Å; W115-M136 HydrophobicContact CE3-CB 4.08Å; W115-M136 HydrophobicContact CZ3-CB 4.2Å; R118-M136 HydrophobicContact CB-CE 4Å; W119-M136 HydrophobicContact CH2-CB 3.82Å; W119-M136 HydrophobicContact CH2-CG 3.45Å; W119-M136 VanDerWaalsContact CH2-CG 3.45Å; W119-M136 HydrophobicContact CZ2-CG 4.43Å; W119-M136 HydrophobicContact CZ3-CB 3.66Å; W119-M136 HydrophobicContact CZ3-CG 3.61Å; E132-M136 WeakPolarHBondContact O-CG 3.48Å; E132-M136 PolarHBondContact O-N 2.82Å; V133-M136 PolarHBondContact O-N 3.26Å; M136-A138 VanDerWaalsContact C-N 3.33Å
137	W	94.4	Very high	91.8	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.7	175.1	-152	-88.8	0	0	0	113.7	I98 M99 W115 V133 Q135 G139 L140 G141 Y143 R145 L149	I98-W137 HydrophobicContact CG2-CH2 3.85Å; I98-W137 HydrophobicContact CG2-CZ2 4.34Å; M99-W137 HydrophobicContact CB-CH2 4.45Å; M99-W137 HydrophobicContact CE-CE3 4.36Å; M99-W137 HydrophobicContact CE-CZ3 3.86Å; M99-W137 HydrophobicContact CG-CH2 3.59Å; M99-W137 HydrophobicContact CG-CZ2 4.41Å; M99-W137 HydrophobicContact CG-CZ3 3.88Å; W115-W137 HydrophobicContact CE3-CE3 4.15Å; W115-W137 HydrophobicContact CE3-CZ3 4.42Å; W115-W137 HydrophobicContact CH2-CE3 4.01Å; W115-W137 HydrophobicContact CH2-CZ3 4.17Å; W115-W137 AromaticContact CZ3-CE3 3.57Å; W115-W137 HydrophobicContact CZ3-CE3 3.57Å; W115-W137 HydrophobicContact CZ3-CZ3 4.02Å; V133-W137 WeakPolarHBondContact O-CB 3.44Å; V133-W137 PolarHBondContact O-N 2.8Å; Q135-W137 VanDerWaalsContact C-N 3.29Å; Q135-W137 PolarHBondContact O-N 2.8Å; W137-G139 PolarHBondContact O-N 2.76Å; W137-G139 VanDerWaalsContact O-N 3.14Å; W137-L140 HydrophobicContact CD2-CD2 4.14Å; W137-L140 HydrophobicContact CE3-CD2 4.48Å; W137-L140 HydrophobicContact CG-CB 4.43Å; W137-L140 HydrophobicContact CH2-CD2 4.1Å; W137-L140 HydrophobicContact CZ2-CD2 3.73Å; W137-L140 HydrophobicContact CZ3-CD2 4.47Å; W137-L140 WeakPolarHBondContact O-CB 3.43Å; W137-L140 PolarHBondContact O-N 2.63Å; W137-G141 PolarHBondContact NE1-O 2.87Å; W137-Y143 HydrophobicContact CB-CD1 4.27Å; W137-Y143 HydrophobicContact CB-CE1 4.38Å; W137-Y143 AromaticContact CD1-CD1 3.84Å; W137-Y143 HydrophobicContact CG-CD1 4.39Å; W137-R145 HydrophobicContact CH2-CB 4.37Å; W137-R145 HydrophobicContact CZ2-CB 3.67Å; W137-L149 HydrophobicContact CZ3-CD2 4.09Å
138	A	88.2	Confident	91.6	Very high	18 Å²	18	40 Å²	40	15%	0.149	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	118.5	-170.5	0	0	0	0	0	111.8	Y111 N134 Q135 M136 Y143	Y111-A138 WeakPolarHBondContact CE1-O 3.4Å; Y111-A138 PolarHBondContact OH-O 3.43Å; Y111-A138 VanDerWaalsContact OH-O 3.11Å; N134-A138 PolarHBondContact O-N 3.36Å; Q135-A138 WeakPolarHBondContact O-CB 3.26Å; Q135-A138 PolarHBondContact O-N 3.26Å; Q135-A138 VanDerWaalsContact O-N 3.15Å; M136-A138 VanDerWaalsContact C-N 3.33Å; A138-Y143 WeakPolarHBondContact CA-OH 3.4Å
139	G	86.5	Confident	91.6	Very high	32 Å²	32	39.6 Å²	39.6	33%	0.33	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.2	-15.3	-178.1	0	0	0	0	0	115.4	W137 G141 Y143	W137-G139 PolarHBondContact O-N 2.76Å; W137-G139 VanDerWaalsContact O-N 3.14Å; G139-G141 VanDerWaalsContact C-N 3.31Å; G139-G141 PolarHBondContact O-N 2.84Å; G139-Y143 PolarHBondContact N-OH 3.24Å; G139-Y143 VanDerWaalsContact N-OH 3.09Å
140	L	89.1	Confident	91.7	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.058	19%	0.187	C	C	.	.	S	Bend	trans	-77.7	-17.8	179	-154.7	66.8	0	0	0	113.3	M99 T103 T107 V108 Y111 W137 R145	M99-L140 HydrophobicContact CB-CD2 4.06Å; M99-L140 HydrophobicContact CG-CD2 3.78Å; M99-L140 HydrophobicContact SD-CD2 4.3Å; T103-L140 HydrophobicContact CG2-CD1 3.75Å; T103-L140 HydrophobicContact CG2-CG 4.21Å; T107-L140 HydrophobicContact CG2-CD1 4.16Å; V108-L140 HydrophobicContact CG2-CD1 4.49Å; Y111-L140 HydrophobicContact CD1-CB 4.2Å; Y111-L140 HydrophobicContact CD1-CD1 4.04Å; Y111-L140 HydrophobicContact CD1-CD2 4.45Å; Y111-L140 HydrophobicContact CD1-CG 4.48Å; Y111-L140 HydrophobicContact CD2-CD1 3.82Å; Y111-L140 HydrophobicContact CE1-CB 4.05Å; Y111-L140 HydrophobicContact CE1-CD1 4.3Å; Y111-L140 HydrophobicContact CE2-CD1 4.09Å; Y111-L140 HydrophobicContact CG-CD1 3.77Å; W137-L140 HydrophobicContact CD2-CD2 4.14Å; W137-L140 HydrophobicContact CE3-CD2 4.48Å; W137-L140 HydrophobicContact CG-CB 4.43Å; W137-L140 HydrophobicContact CH2-CD2 4.1Å; W137-L140 HydrophobicContact CZ2-CD2 3.73Å; W137-L140 HydrophobicContact CZ3-CD2 4.47Å; W137-L140 WeakPolarHBondContact O-CB 3.43Å; W137-L140 PolarHBondContact O-N 2.63Å; L140-R145 PolarHBondContact O-NH2 2.91Å
141	G	87.6	Confident	92	Very high	25 Å²	25	38.7 Å²	38.7	26%	0.258	20%	0.195	S	C	.	.	S	Bend	trans	75	169.1	-178.2	0	0	0	0	0	113.5	W137 G139 Y143 R145	W137-G141 PolarHBondContact NE1-O 2.87Å; G139-G141 VanDerWaalsContact C-N 3.31Å; G139-G141 PolarHBondContact O-N 2.84Å; G141-Y143 PolarHBondContact O-N 3.08Å; G141-R145 PolarHBondContact O-NH2 3.35Å
142	Y	86.8	Confident	92.4	Very high	96 Å²	96	35 Å²	35	38%	0.376	18%	0.178	S	C	.	.			trans	47.7	56.9	-177.6	-57.3	-94.1	0	0	0	113	Q102 S144 R145 S413	Q102-Y142 HydrophobicContact CB-CE2 4.14Å; Q102-Y142 PolarHBondContact OE1-OH 3.46Å; Y142-S144 PolarHBondContact O-N 3.35Å; Y142-R145 VanDerWaalsContact CB-NE 3.35Å; Y142-R145 VanDerWaalsContact O-CB 3.3Å; Y142-R145 WeakPolarHBondContact O-CB 3.31Å; Y142-R145 WeakPolarHBondContact O-CG 3.18Å; Y142-R145 PolarHBondContact O-N 2.91Å; Y142-R145 PolarHBondContact O-NE 3.47Å; Y142-S413 PolarHBondContact OH-OG 2.86Å
143	Y	88.2	Confident	92.7	Very high	17 Å²	17	32.6 Å²	32.6	7%	0.067	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-21.2	-173.8	-72.1	-95.5	0	0	0	115.2	W137 A138 G139 G141 R145 G146 R147 L362 L365 V453	W137-Y143 HydrophobicContact CB-CD1 4.27Å; W137-Y143 HydrophobicContact CB-CE1 4.38Å; W137-Y143 AromaticContact CD1-CD1 3.84Å; W137-Y143 HydrophobicContact CG-CD1 4.39Å; A138-Y143 WeakPolarHBondContact CA-OH 3.4Å; G139-Y143 PolarHBondContact N-OH 3.24Å; G139-Y143 VanDerWaalsContact N-OH 3.09Å; G141-Y143 PolarHBondContact O-N 3.08Å; Y143-R145 PolarHBondContact O-N 2.86Å; Y143-R145 VanDerWaalsContact O-N 3.17Å; Y143-G146 PolarHBondContact O-N 2.89Å; Y143-R147 PolarHBondContact O-N 2.92Å; Y143-R147 VanDerWaalsContact O-N 3.14Å; Y143-L362 HydrophobicContact CD2-CD2 4.48Å; Y143-L365 HydrophobicContact CD1-CD1 4.37Å; Y143-L365 HydrophobicContact CD1-CD2 3.66Å; Y143-L365 HydrophobicContact CD1-CG 4.49Å; Y143-L365 HydrophobicContact CD2-CD1 3.72Å; Y143-L365 HydrophobicContact CD2-CD2 4.46Å; Y143-L365 HydrophobicContact CD2-CG 4.47Å; Y143-L365 HydrophobicContact CE1-CD1 4.19Å; Y143-L365 HydrophobicContact CE1-CD2 3.69Å; Y143-L365 HydrophobicContact CE2-CD1 3.52Å; Y143-L365 HydrophobicContact CE2-CD2 4.49Å; Y143-L365 HydrophobicContact CG-CD1 4.12Å; Y143-L365 HydrophobicContact CG-CD2 4.05Å; Y143-L365 HydrophobicContact CG-CG 4.41Å; Y143-V453 PolarHBondContact OH-O 3.32Å
144	S	90.3	Very high	92.8	Very high	61 Å²	61	35.9 Å²	35.9	43%	0.427	18%	0.182	S	C	.	.	H	α-helix	trans	-57.4	-26.6	171.5	53.4	0	0	0	0	112.8	Y142 R148	Y142-S144 PolarHBondContact O-N 3.35Å; S144-R148 WeakPolarHBondContact O-CB 3.27Å; S144-R148 VanDerWaalsContact O-CG 3.29Å; S144-R148 WeakPolarHBondContact O-CG 3.22Å; S144-R148 PolarHBondContact O-N 3.49Å
145	R	94.3	Very high	93.1	Very high	18 Å²	18	38.6 Å²	38.6	7%	0.068	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-53.4	174.2	-69.8	-174.7	-63.3	161.8	-13.3	112	I98 M99 Q101 T103 W137 L140 G141 Y142 Y143 R147 R148 L149	I98-R145 HydrophobicContact CG2-CB 3.72Å; I98-R145 HydrophobicContact CG2-CG 4.38Å; I98-R145 PolarHBondContact O-NH1 3.41Å; M99-R145 PolarHBondContact O-NH1 3.25Å; Q101-R145 VanDerWaalsContact O-CZ 3.29Å; Q101-R145 PolarHBondContact O-NH1 3.17Å; T103-R145 PolarHBondContact OG1-NH1 2.98Å; T103-R145 PolarHBondContact OG1-NH2 3.18Å; T103-R145 VanDerWaalsContact OG1-NH2 3.09Å; W137-R145 HydrophobicContact CH2-CB 4.37Å; W137-R145 HydrophobicContact CZ2-CB 3.67Å; L140-R145 PolarHBondContact O-NH2 2.91Å; G141-R145 PolarHBondContact O-NH2 3.35Å; Y142-R145 VanDerWaalsContact CB-NE 3.35Å; Y142-R145 VanDerWaalsContact O-CB 3.3Å; Y142-R145 WeakPolarHBondContact O-CB 3.31Å; Y142-R145 WeakPolarHBondContact O-CG 3.18Å; Y142-R145 PolarHBondContact O-N 2.91Å; Y142-R145 PolarHBondContact O-NE 3.47Å; Y143-R145 PolarHBondContact O-N 2.86Å; Y143-R145 VanDerWaalsContact O-N 3.17Å; R145-R147 VanDerWaalsContact C-N 3.29Å; R145-R147 PolarHBondContact O-N 3.13Å; R145-R148 PolarHBondContact O-N 3.4Å; R145-L149 WeakPolarHBondContact O-CB 3.48Å; R145-L149 PolarHBondContact O-N 3.14Å
146	G	94.3	Very high	93.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-39.6	177.8	0	0	0	0	0	112.2	Y143 L149 H150	Y143-G146 PolarHBondContact O-N 2.89Å; G146-L149 PolarHBondContact O-N 2.78Å; G146-H150 PolarHBondContact O-N 2.75Å
147	R	92.5	Very high	93.7	Very high	37 Å²	37	34.5 Å²	34.5	14%	0.14	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-49.4	174.3	-173.6	-174	-55.1	157.4	1.4	113	I130 Y143 R145 L149 H150 E151 N358 A363	I130-R147 HydrophobicContact CD1-CB 4.12Å; I130-R147 HydrophobicContact CD1-CG 3.86Å; Y143-R147 PolarHBondContact O-N 2.92Å; Y143-R147 VanDerWaalsContact O-N 3.14Å; R145-R147 VanDerWaalsContact C-N 3.29Å; R145-R147 PolarHBondContact O-N 3.13Å; R147-L149 VanDerWaalsContact C-N 3.26Å; R147-L149 PolarHBondContact O-N 3.02Å; R147-H150 WeakPolarHBondContact O-CB 3.41Å; R147-H150 PolarHBondContact O-N 3.21Å; R147-H150 VanDerWaalsContact O-N 3.13Å; R147-E151 VanDerWaalsContact CD-OE1 3.28Å; R147-E151 WeakPolarHBondContact CD-OE1 3.47Å; R147-E151 HydrophobicContact CG-CG 4.3Å; R147-E151 WeakPolarHBondContact CG-OE1 3.42Å; R147-E151 WeakPolarHBondContact O-CG 3.33Å; R147-E151 PolarHBondContact O-N 3.39Å; R147-N358 PolarHBondContact NH1-O 3.23Å; R147-A363 VanDerWaalsContact NH2-CB 3.27Å; R147-A363 PolarHBondContact NH2-O 2.86Å
148	R	94.5	Very high	93.9	Very high	133 Å²	133	41.2 Å²	41.2	50%	0.502	21%	0.212	S	C	.	.	H	α-helix	trans	-62.6	-36.4	179.2	-77	176.7	177.4	175.2	-2.4	111.9	S144 R145 E151 G152	S144-R148 WeakPolarHBondContact O-CB 3.27Å; S144-R148 VanDerWaalsContact O-CG 3.29Å; S144-R148 WeakPolarHBondContact O-CG 3.22Å; S144-R148 PolarHBondContact O-N 3.49Å; R145-R148 PolarHBondContact O-N 3.4Å; R148-E151 PolarHBondContact O-N 2.84Å; R148-G152 PolarHBondContact O-N 3.38Å
149	L	97.2	Very high	94.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-45.1	172.9	179	61.4	0	0	0	111	W94 V95 I98 W115 L125 W137 R145 G146 R147 G152 A153	W94-L149 HydrophobicContact CD2-CD1 3.54Å; W94-L149 VanDerWaalsContact CE2-CD1 3.4Å; W94-L149 HydrophobicContact CE3-CD1 3.81Å; W94-L149 HydrophobicContact CG-CD1 4.15Å; W94-L149 HydrophobicContact CH2-CD1 3.85Å; W94-L149 HydrophobicContact CZ2-CD1 3.59Å; W94-L149 HydrophobicContact CZ3-CD1 3.96Å; V95-L149 HydrophobicContact CG2-CD2 4.23Å; I98-L149 HydrophobicContact CG1-CD1 4.39Å; I98-L149 HydrophobicContact CG2-CB 4.49Å; W115-L149 HydrophobicContact CH2-CD2 4.14Å; W115-L149 HydrophobicContact CZ2-CD2 3.6Å; W115-L149 HydrophobicContact CZ2-CG 4.32Å; L125-L149 HydrophobicContact CD2-CG 3.99Å; W137-L149 HydrophobicContact CZ3-CD2 4.09Å; R145-L149 WeakPolarHBondContact O-CB 3.48Å; R145-L149 PolarHBondContact O-N 3.14Å; G146-L149 PolarHBondContact O-N 2.78Å; R147-L149 VanDerWaalsContact C-N 3.26Å; R147-L149 PolarHBondContact O-N 3.02Å; L149-G152 PolarHBondContact O-N 3.47Å; L149-A153 PolarHBondContact O-N 3.13Å
150	H	97.9	Very high	94.8	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-64.5	-48.4	175	179.9	-140.5	0	0	0	112.9	L125 A128 V133 G146 R147 G152 A153 Q154	L125-H150 PolarHBondContact O-CD2 3.28Å; L125-H150 PolarHBondContact O-NE2 2.71Å; A128-H150 PolarHBondContact O-CE1 3.47Å; A128-H150 PolarHBondContact O-NE2 3.34Å; V133-H150 HydrophobicContact CG1-CB 4.27Å; V133-H150 HydrophobicContact CG2-CB 4.12Å; G146-H150 PolarHBondContact O-N 2.75Å; R147-H150 WeakPolarHBondContact O-CB 3.41Å; R147-H150 PolarHBondContact O-N 3.21Å; R147-H150 VanDerWaalsContact O-N 3.13Å; H150-G152 PolarHBondContact O-N 3.2Å; H150-A153 WeakPolarHBondContact O-CB 3.45Å; H150-A153 PolarHBondContact O-N 3.43Å; H150-A153 VanDerWaalsContact O-N 3.1Å; H150-Q154 PolarHBondContact CE1-NE2 2.85Å; H150-Q154 VanDerWaalsContact CE1-NE2 3.26Å; H150-Q154 PolarHBondContact NE2-NE2 2.8Å; H150-Q154 VanDerWaalsContact NE2-NE2 3.19Å; H150-Q154 WeakPolarHBondContact O-CG 3.3Å; H150-Q154 PolarHBondContact O-N 3.06Å
151	E	96.9	Very high	95.2	Very high	87 Å²	87	55 Å²	55	41%	0.407	26%	0.263	S	S	.	.	H	α-helix	trans	-56.2	-40.4	174.6	-71.3	167.7	-176.2	0	0	111.3	R147 R148 K155 P176	R147-E151 VanDerWaalsContact CD-OE1 3.28Å; R147-E151 WeakPolarHBondContact CD-OE1 3.47Å; R147-E151 HydrophobicContact CG-CG 4.3Å; R147-E151 WeakPolarHBondContact CG-OE1 3.42Å; R147-E151 WeakPolarHBondContact O-CG 3.33Å; R147-E151 PolarHBondContact O-N 3.39Å; R148-E151 PolarHBondContact O-N 2.84Å; E151-K155 WeakPolarHBondContact O-CB 3.37Å; E151-K155 PolarHBondContact O-N 2.99Å; E151-P176 HydrophobicContact CB-CG 4.37Å
152	G	97.8	Very high	95.5	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68.3	-39.1	176.2	0	0	0	0	0	113	R148 L149 H150 K155 V156 P176	R148-G152 PolarHBondContact O-N 3.38Å; L149-G152 PolarHBondContact O-N 3.47Å; H150-G152 PolarHBondContact O-N 3.2Å; G152-K155 WeakPolarHBondContact O-CB 3.48Å; G152-K155 PolarHBondContact O-N 3.37Å; G152-V156 WeakPolarHBondContact O-CG2 3.42Å; G152-V156 PolarHBondContact O-N 3.36Å; G152-P176 VanDerWaalsContact CA-CD 3.49Å; G152-P176 VanDerWaalsContact CA-CG 3.43Å
153	A	98.4	Very high	96	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-43.5	175.1	0	0	0	0	0	111.6	V122 L125 A126 L149 H150 K155 V156 V157	V122-A153 HydrophobicContact CG2-CB 3.65Å; L125-A153 HydrophobicContact CB-CB 4.19Å; L125-A153 HydrophobicContact CD2-CB 3.72Å; L125-A153 HydrophobicContact CG-CB 3.87Å; A126-A153 HydrophobicContact CB-CB 4.26Å; L149-A153 PolarHBondContact O-N 3.13Å; H150-A153 WeakPolarHBondContact O-CB 3.45Å; H150-A153 PolarHBondContact O-N 3.43Å; H150-A153 VanDerWaalsContact O-N 3.1Å; A153-K155 VanDerWaalsContact C-N 3.31Å; A153-K155 PolarHBondContact O-N 3.48Å; A153-V156 PolarHBondContact O-N 2.88Å; A153-V157 PolarHBondContact O-N 2.68Å; A153-V157 VanDerWaalsContact O-N 3.07Å
154	Q	98.5	Very high	96.5	Very high	70 Å²	70	53.7 Å²	53.7	33%	0.327	26%	0.255	S	S	.	.	H	α-helix	trans	-58	-44.9	173	-69.4	178	-31	0	0	111.5	A126 H150 V156 V157 L158	A126-Q154 HydrophobicContact CB-CG 4.25Å; H150-Q154 PolarHBondContact CE1-NE2 2.85Å; H150-Q154 VanDerWaalsContact CE1-NE2 3.26Å; H150-Q154 PolarHBondContact NE2-NE2 2.8Å; H150-Q154 VanDerWaalsContact NE2-NE2 3.19Å; H150-Q154 WeakPolarHBondContact O-CG 3.3Å; H150-Q154 PolarHBondContact O-N 3.06Å; Q154-V156 PolarHBondContact O-N 3.35Å; Q154-V157 PolarHBondContact O-N 3Å; Q154-L158 WeakPolarHBondContact O-CB 3.34Å; Q154-L158 VanDerWaalsContact O-CG 3.27Å; Q154-L158 WeakPolarHBondContact O-CG 3.49Å; Q154-L158 PolarHBondContact O-N 2.75Å
155	K	98.1	Very high	96.8	Very high	59 Å²	59	51.1 Å²	51.1	26%	0.257	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-44.4	175.5	-177.4	174.8	179.9	-177.7	0	112.5	E151 G152 A153 V157 L158 E159 L160 Q174	E151-K155 WeakPolarHBondContact O-CB 3.37Å; E151-K155 PolarHBondContact O-N 2.99Å; G152-K155 WeakPolarHBondContact O-CB 3.48Å; G152-K155 PolarHBondContact O-N 3.37Å; A153-K155 VanDerWaalsContact C-N 3.31Å; A153-K155 PolarHBondContact O-N 3.48Å; K155-V157 VanDerWaalsContact C-N 3.3Å; K155-V157 PolarHBondContact O-N 2.9Å; K155-L158 PolarHBondContact O-N 3.34Å; K155-E159 WeakPolarHBondContact CE-OE2 3.47Å; K155-E159 HydrophobicContact CG-CB 4.3Å; K155-E159 HydrophobicContact CG-CG 4.25Å; K155-E159 WeakPolarHBondContact O-CB 3.45Å; K155-E159 PolarHBondContact O-N 2.99Å; K155-L160 PolarHBondContact O-N 3.37Å; K155-Q174 VanDerWaalsContact CD-O 3.27Å; K155-Q174 WeakPolarHBondContact CD-O 3.33Å; K155-Q174 VanDerWaalsContact CE-O 3.22Å; K155-Q174 WeakPolarHBondContact CE-O 3.4Å; K155-Q174 PolarHBondContact NZ-O 3.44Å
156	V	98.3	Very high	96.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-44	177.2	170	0	0	0	0	110.9	V122 G152 A153 Q154 L160 K161 G162 M164 L175	V122-V156 HydrophobicContact CG1-CG1 4.02Å; V122-V156 HydrophobicContact CG2-CB 4.01Å; V122-V156 HydrophobicContact CG2-CG1 4.02Å; V122-V156 HydrophobicContact CG2-CG2 4.46Å; G152-V156 WeakPolarHBondContact O-CG2 3.42Å; G152-V156 PolarHBondContact O-N 3.36Å; A153-V156 PolarHBondContact O-N 2.88Å; Q154-V156 PolarHBondContact O-N 3.35Å; V156-L160 HydrophobicContact CG2-CD1 4.21Å; V156-L160 CarbonylContact O-C 3.51Å; V156-L160 VanDerWaalsContact O-CA 3.28Å; V156-L160 WeakPolarHBondContact O-CA 3.47Å; V156-L160 VanDerWaalsContact O-CB 3.29Å; V156-L160 WeakPolarHBondContact O-CB 3.13Å; V156-L160 PolarHBondContact O-N 2.92Å; V156-L160 VanDerWaalsContact O-N 3.12Å; V156-K161 PolarHBondContact O-N 3.28Å; V156-K161 VanDerWaalsContact O-N 3.17Å; V156-G162 PolarHBondContact O-N 3.01Å; V156-M164 HydrophobicContact CG1-SD 3.89Å; V156-M164 HydrophobicContact CG2-SD 4.02Å; V156-L175 HydrophobicContact CG2-CD2 3.52Å
157	V	98.1	Very high	97.1	Very high	50 Å²	50	57.7 Å²	57.7	30%	0.303	27%	0.272	S	S	.	.	H	α-helix	trans	-69.5	-47.6	179.7	175.1	0	0	0	0	111.9	Q123 A126 A153 Q154 K155 K161	Q123-V157 HydrophobicContact CB-CG2 4.48Å; Q123-V157 HydrophobicContact CG-CG2 4.13Å; A126-V157 HydrophobicContact CB-CB 4.12Å; A126-V157 HydrophobicContact CB-CG2 3.55Å; A153-V157 PolarHBondContact O-N 2.68Å; A153-V157 VanDerWaalsContact O-N 3.07Å; Q154-V157 PolarHBondContact O-N 3Å; K155-V157 VanDerWaalsContact C-N 3.3Å; K155-V157 PolarHBondContact O-N 2.9Å; V157-K161 WeakPolarHBondContact O-CA 3.18Å; V157-K161 PolarHBondContact O-N 2.92Å
158	L	97.7	Very high	97.3	Very high	142 Å²	142	56.9 Å²	56.9	74%	0.743	27%	0.271	S	S	*	.	H	α-helix	trans	-76.8	-42.5	-172.5	-66.5	171.9	0	0	0	113.3	Q154 K155	Q154-L158 WeakPolarHBondContact O-CB 3.34Å; Q154-L158 VanDerWaalsContact O-CG 3.27Å; Q154-L158 WeakPolarHBondContact O-CG 3.49Å; Q154-L158 PolarHBondContact O-N 2.75Å; K155-L158 PolarHBondContact O-N 3.34Å
159	E	97.9	Very high	97.5	Very high	127 Å²	127	54.8 Å²	54.8	59%	0.593	27%	0.269	S	S	*	.	H	α-helix	trans	-101.5	-33.7	-173	-61.6	179.6	-152.3	0	0	112.4	K155	K155-E159 WeakPolarHBondContact CE-OE2 3.47Å; K155-E159 HydrophobicContact CG-CB 4.3Å; K155-E159 HydrophobicContact CG-CG 4.25Å; K155-E159 WeakPolarHBondContact O-CB 3.45Å; K155-E159 PolarHBondContact O-N 2.99Å
160	L	97.1	Very high	97.5	Very high	39 Å²	39	57.1 Å²	57.1	20%	0.204	28%	0.282	C	S	.	.	S	Bend	trans	-104.3	10.8	-177.2	-46.9	-179.7	0	0	0	113	K155 V156 G162 Q163 P165 Q174	K155-L160 PolarHBondContact O-N 3.37Å; V156-L160 HydrophobicContact CG2-CD1 4.21Å; V156-L160 CarbonylContact O-C 3.51Å; V156-L160 VanDerWaalsContact O-CA 3.28Å; V156-L160 WeakPolarHBondContact O-CA 3.47Å; V156-L160 VanDerWaalsContact O-CB 3.29Å; V156-L160 WeakPolarHBondContact O-CB 3.13Å; V156-L160 PolarHBondContact O-N 2.92Å; V156-L160 VanDerWaalsContact O-N 3.12Å; L160-G162 PolarHBondContact O-N 3.39Å; L160-Q163 WeakPolarHBondContact CB-O 3.48Å; L160-Q163 WeakPolarHBondContact O-CB 3.36Å; L160-Q163 PolarHBondContact O-N 3.29Å; L160-P165 HydrophobicContact CD1-CG 3.83Å; L160-Q174 VanDerWaalsContact CD1-OE1 3.25Å
161	K	96.7	Very high	97.5	Very high	184 Å²	184	56.8 Å²	56.8	80%	0.8	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	34.4	177.1	-54.4	179.1	-178.6	178.7	0	113.2	V156 V157 Q163	V156-K161 PolarHBondContact O-N 3.28Å; V156-K161 VanDerWaalsContact O-N 3.17Å; V157-K161 WeakPolarHBondContact O-CA 3.18Å; V157-K161 PolarHBondContact O-N 2.92Å; K161-Q163 VanDerWaalsContact C-N 3.26Å; K161-Q163 PolarHBondContact O-N 2.94Å
162	G	94.4	Very high	97.5	Very high	3 Å²	3	56.1 Å²	56.1	3%	0.031	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	5.5	-179.1	0	0	0	0	0	114.8	V156 L160	V156-G162 PolarHBondContact O-N 3.01Å; L160-G162 PolarHBondContact O-N 3.39Å
163	Q	97.6	Very high	97.4	Very high	102 Å²	102	62.9 Å²	62.9	48%	0.477	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-90.2	122.2	175.7	-60.7	-62.2	-42	0	0	110.2	N87 L160 K161	N87-Q163 PolarHBondContact ND2-OE1 3.2Å; L160-Q163 WeakPolarHBondContact CB-O 3.48Å; L160-Q163 WeakPolarHBondContact O-CB 3.36Å; L160-Q163 PolarHBondContact O-N 3.29Å; K161-Q163 VanDerWaalsContact C-N 3.26Å; K161-Q163 PolarHBondContact O-N 2.94Å
164	M	98	Very high	97.3	Very high	5 Å²	5	65.3 Å²	65.3	3%	0.025	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-67.6	140.2	174.5	-70.2	-62.3	-65.6	0	0	110.3	N87 T90 W94 V122 V156 Q166 L175	N87-M164 HydrophobicContact CB-CG 4.07Å; N87-M164 WeakPolarHBondContact OD1-CB 3.24Å; N87-M164 PolarHBondContact OD1-N 3.13Å; T90-M164 HydrophobicContact CG2-CB 3.97Å; T90-M164 HydrophobicContact CG2-CE 3.7Å; T90-M164 HydrophobicContact CG2-CG 4.36Å; W94-M164 HydrophobicContact CE3-CE 3.68Å; W94-M164 HydrophobicContact CZ3-CE 4.14Å; V122-M164 HydrophobicContact CB-SD 4.23Å; V122-M164 HydrophobicContact CG1-SD 4.29Å; V122-M164 HydrophobicContact CG2-SD 4.1Å; V156-M164 HydrophobicContact CG1-SD 3.89Å; V156-M164 HydrophobicContact CG2-SD 4.02Å; M164-Q166 WeakPolarHBondContact O-CG 3.14Å; M164-Q166 PolarHBondContact O-N 3.06Å; M164-L175 HydrophobicContact CE-CD1 4.32Å
165	P	97.7	Very high	97.2	Very high	8 Å²	8	62.3 Å²	62.3	5%	0.052	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-54.5	131.2	173.5	-28.1	36.1	0	0	0	112.5	L160 D170 L171 Q174 L175	L160-P165 HydrophobicContact CD1-CG 3.83Å; P165-D170 HydrophobicContact CB-CB 3.72Å; P165-L171 HydrophobicContact CB-CD2 3.86Å; P165-L171 HydrophobicContact CB-CG 3.97Å; P165-L171 HydrophobicContact CG-CD2 4.28Å; P165-Q174 HydrophobicContact CG-CB 4.47Å; P165-L175 HydrophobicContact CG-CD1 4.32Å; P165-L175 HydrophobicContact CG-CD2 4.06Å; P165-L175 HydrophobicContact CG-CG 4.07Å
166	Q	95.9	Very high	96.9	Very high	111 Å²	111	61.5 Å²	61.5	52%	0.519	31%	0.307	S	S	.	.			trans	-101.9	8.9	-173.6	-60.4	-170.7	4.3	0	0	113.7	M164 L191 Q193	M164-Q166 WeakPolarHBondContact O-CG 3.14Å; M164-Q166 PolarHBondContact O-N 3.06Å; Q166-L191 VanDerWaalsContact C-CD1 3.45Å; Q166-L191 WeakPolarHBondContact O-CD1 3.37Å; Q166-Q193 PolarHBondContact O-NE2 3.4Å
167	T	97.9	Very high	96.4	Very high	45 Å²	45	63 Å²	63	28%	0.276	32%	0.323	S	S	.	.	S	Bend	trans	-133.8	151.7	173.1	76.5	0	0	0	0	112.2	D169 D170 L171	T167-D169 PolarHBondContact O-N 3.49Å; T167-D170 PolarHBondContact O-N 3.43Å; T167-D170 VanDerWaalsContact O-N 3.16Å; T167-D170 WeakPolarHBondContact OG1-CB 3.34Å; T167-D170 PolarHBondContact OG1-N 3.02Å; T167-D170 PolarHBondContact OG1-OD2 2.97Å; T167-L171 WeakPolarHBondContact O-CB 3.49Å; T167-L171 VanDerWaalsContact O-CG 3.25Å; T167-L171 WeakPolarHBondContact O-CG 3.37Å; T167-L171 PolarHBondContact O-N 3.3Å
168	V	97.8	Very high	96.3	Very high	20 Å²	20	61.1 Å²	61.1	12%	0.121	31%	0.311	C	S	.	.	H	α-helix	trans	-54.6	-41	173.3	172.1	0	0	0	0	111	L171 L172 A183 Q193 T195	V168-L171 PolarHBondContact O-N 2.83Å; V168-L172 VanDerWaalsContact O-CB 3.3Å; V168-L172 WeakPolarHBondContact O-CB 3.28Å; V168-L172 PolarHBondContact O-N 3.28Å; V168-A183 HydrophobicContact CG1-CB 3.99Å; V168-Q193 HydrophobicContact CG2-CB 4.38Å; V168-T195 HydrophobicContact CG2-CG2 3.7Å
169	D	97.9	Very high	96.2	Very high	88 Å²	88	56 Å²	56	47%	0.471	29%	0.293	S	S	.	.	H	α-helix	trans	-62.9	-44.3	177.8	-101.8	33.1	0	0	0	112.2	T167 L172 K173	T167-D169 PolarHBondContact O-N 3.49Å; D169-L172 PolarHBondContact O-N 3.4Å; D169-K173 WeakPolarHBondContact O-CB 3.41Å; D169-K173 WeakPolarHBondContact O-CD 3.38Å; D169-K173 VanDerWaalsContact O-CG 3.22Å; D169-K173 WeakPolarHBondContact O-CG 3.45Å; D169-K173 PolarHBondContact O-N 3.14Å; D169-K173 IonicContact OD2-NZ 2.67Å; D169-K173 PolarHBondContact OD2-NZ 3.11Å
170	D	97.8	Very high	96.1	Very high	52 Å²	52	54.3 Å²	54.3	28%	0.278	28%	0.281	S	S	.	.	H	α-helix	trans	-70.5	-40.7	177.9	-66.9	-41.4	0	0	0	111.7	P165 T167 L172 K173 Q174	P165-D170 HydrophobicContact CB-CB 3.72Å; T167-D170 PolarHBondContact O-N 3.43Å; T167-D170 VanDerWaalsContact O-N 3.16Å; T167-D170 WeakPolarHBondContact OG1-CB 3.34Å; T167-D170 PolarHBondContact OG1-N 3.02Å; T167-D170 PolarHBondContact OG1-OD2 2.97Å; D170-L172 VanDerWaalsContact C-N 3.26Å; D170-L172 PolarHBondContact O-N 3.42Å; D170-K173 PolarHBondContact O-N 3.46Å; D170-Q174 WeakPolarHBondContact O-CA 3.45Å; D170-Q174 WeakPolarHBondContact O-CB 3.5Å; D170-Q174 VanDerWaalsContact O-CG 3.22Å; D170-Q174 WeakPolarHBondContact O-CG 3.28Å; D170-Q174 PolarHBondContact O-N 3.17Å; D170-Q174 PolarHBondContact OD1-NE2 3.46Å
171	L	97.6	Very high	96.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-55.6	-44.9	172.7	-72	165	0	0	0	110.8	T90 P165 T167 V168 L175 V178 A183 I186 L191	T90-L171 HydrophobicContact CG2-CD2 4.37Å; P165-L171 HydrophobicContact CB-CD2 3.86Å; P165-L171 HydrophobicContact CB-CG 3.97Å; P165-L171 HydrophobicContact CG-CD2 4.28Å; T167-L171 WeakPolarHBondContact O-CB 3.49Å; T167-L171 VanDerWaalsContact O-CG 3.25Å; T167-L171 WeakPolarHBondContact O-CG 3.37Å; T167-L171 PolarHBondContact O-N 3.3Å; V168-L171 PolarHBondContact O-N 2.83Å; L171-L175 HydrophobicContact CD2-CD1 3.65Å; L171-L175 WeakPolarHBondContact O-CB 3.09Å; L171-L175 PolarHBondContact O-N 3.09Å; L171-V178 HydrophobicContact CB-CG1 4.48Å; L171-A183 HydrophobicContact CB-CB 4.04Å; L171-I186 HydrophobicContact CD1-CB 3.9Å; L171-I186 HydrophobicContact CD1-CG2 3.62Å; L171-I186 HydrophobicContact CD2-CD1 4.47Å; L171-I186 HydrophobicContact CD2-CG2 4.06Å; L171-L191 HydrophobicContact CD1-CD1 4Å
172	L	96.4	Very high	96.3	Very high	73 Å²	73	46.2 Å²	46.2	38%	0.382	24%	0.243	S	C	.	.	H	α-helix	trans	-69.1	-41.9	179.8	-177.2	64.5	0	0	0	113	V168 D169 D170 A183	V168-L172 VanDerWaalsContact O-CB 3.3Å; V168-L172 WeakPolarHBondContact O-CB 3.28Å; V168-L172 PolarHBondContact O-N 3.28Å; D169-L172 PolarHBondContact O-N 3.4Å; D170-L172 VanDerWaalsContact C-N 3.26Å; D170-L172 PolarHBondContact O-N 3.42Å; L172-A183 HydrophobicContact CB-CB 4.09Å
173	K	96.6	Very high	96.4	Very high	142 Å²	142	46 Å²	46	62%	0.617	24%	0.242	S	C	*	.	H	α-helix	trans	-79.7	-34.6	-176.3	-71.1	166	-169	156.7	0	112.5	D169 D170	D169-K173 WeakPolarHBondContact O-CB 3.41Å; D169-K173 WeakPolarHBondContact O-CD 3.38Å; D169-K173 VanDerWaalsContact O-CG 3.22Å; D169-K173 WeakPolarHBondContact O-CG 3.45Å; D169-K173 PolarHBondContact O-N 3.14Å; D169-K173 IonicContact OD2-NZ 2.67Å; D169-K173 PolarHBondContact OD2-NZ 3.11Å; D170-K173 PolarHBondContact O-N 3.46Å
174	Q	95.9	Very high	96.5	Very high	52 Å²	52	41.3 Å²	41.3	24%	0.243	22%	0.22	C	C	.	.	H	α-helix	trans	-101.3	-31.9	-166	-54.3	-179.5	26.1	0	0	112.8	K155 L160 P165 D170	K155-Q174 VanDerWaalsContact CD-O 3.27Å; K155-Q174 WeakPolarHBondContact CD-O 3.33Å; K155-Q174 VanDerWaalsContact CE-O 3.22Å; K155-Q174 WeakPolarHBondContact CE-O 3.4Å; K155-Q174 PolarHBondContact NZ-O 3.44Å; L160-Q174 VanDerWaalsContact CD1-OE1 3.25Å; P165-Q174 HydrophobicContact CG-CB 4.47Å; D170-Q174 WeakPolarHBondContact O-CA 3.45Å; D170-Q174 WeakPolarHBondContact O-CB 3.5Å; D170-Q174 VanDerWaalsContact O-CG 3.22Å; D170-Q174 WeakPolarHBondContact O-CG 3.28Å; D170-Q174 PolarHBondContact O-N 3.17Å; D170-Q174 PolarHBondContact OD1-NE2 3.46Å
175	L	95.4	Very high	96.5	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	22%	0.219	C	C	.	.	S	Bend	trans	-95.5	123.4	-174.7	-58.2	-174.3	0	0	0	113.2	W94 V156 M164 P165 L171 G177 V178	W94-L175 HydrophobicContact CD2-CD1 4.26Å; W94-L175 HydrophobicContact CE3-CD1 4.35Å; W94-L175 HydrophobicContact CH2-CD1 4.24Å; W94-L175 HydrophobicContact CH2-CD2 4.34Å; W94-L175 HydrophobicContact CZ2-CB 4.33Å; W94-L175 HydrophobicContact CZ2-CD1 4.14Å; W94-L175 HydrophobicContact CZ3-CD1 4.34Å; V156-L175 HydrophobicContact CG2-CD2 3.52Å; M164-L175 HydrophobicContact CE-CD1 4.32Å; P165-L175 HydrophobicContact CG-CD1 4.32Å; P165-L175 HydrophobicContact CG-CD2 4.06Å; P165-L175 HydrophobicContact CG-CG 4.07Å; L171-L175 HydrophobicContact CD2-CD1 3.65Å; L171-L175 WeakPolarHBondContact O-CB 3.09Å; L171-L175 PolarHBondContact O-N 3.09Å; L175-G177 PolarHBondContact O-N 3Å; L175-V178 HydrophobicContact CB-CB 3.98Å; L175-V178 HydrophobicContact CB-CG2 3.52Å; L175-V178 HydrophobicContact CD1-CG2 4.17Å; L175-V178 HydrophobicContact CG-CG2 4.49Å; L175-V178 PolarHBondContact O-N 2.96Å
176	P	92.2	Very high	96.5	Very high	42 Å²	42	40.7 Å²	40.7	27%	0.273	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	135.2	178.7	28.2	-34.3	0	0	0	111.5	E151 G152 V178	E151-P176 HydrophobicContact CB-CG 4.37Å; G152-P176 VanDerWaalsContact CA-CD 3.49Å; G152-P176 VanDerWaalsContact CA-CG 3.43Å; P176-V178 PolarHBondContact O-N 3.14Å
177	G	87.6	Confident	96.7	Very high	33 Å²	33	35.4 Å²	35.4	34%	0.34	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	1	179.7	0	0	0	0	0	115.1	L175	L175-G177 PolarHBondContact O-N 3Å
178	V	95.6	Very high	96.7	Very high	10 Å²	10	33.4 Å²	33.4	6%	0.061	18%	0.179	C	C	.	.			trans	-87.7	113.3	170.7	176	0	0	0	0	108.9	W94 L171 L175 P176 T182 A183	W94-V178 HydrophobicContact CZ2-CG2 4.34Å; L171-V178 HydrophobicContact CB-CG1 4.48Å; L175-V178 HydrophobicContact CB-CB 3.98Å; L175-V178 HydrophobicContact CB-CG2 3.52Å; L175-V178 HydrophobicContact CD1-CG2 4.17Å; L175-V178 HydrophobicContact CG-CG2 4.49Å; L175-V178 PolarHBondContact O-N 2.96Å; P176-V178 PolarHBondContact O-N 3.14Å; V178-T182 HydrophobicContact CG1-CG2 4.04Å; V178-T182 HydrophobicContact CG2-CG2 4.21Å; V178-A183 HydrophobicContact CG1-CB 3.84Å
179	G	96.1	Very high	96.7	Very high	35 Å²	35	33.7 Å²	33.7	36%	0.361	18%	0.18	S	C	.	.			trans	-97.8	178	172.6	0	0	0	0	0	112.2	Y181 T182 A183	G179-Y181 VanDerWaalsContact C-N 3.27Å; G179-Y181 PolarHBondContact O-N 3.02Å; G179-Y181 VanDerWaalsContact O-N 3.16Å; G179-T182 PolarHBondContact O-N 3.2Å; G179-A183 PolarHBondContact O-N 3.46Å
180	R	97.3	Very high	96.7	Very high	91 Å²	91	29.6 Å²	29.6	34%	0.343	16%	0.158	S	C	.	.	H	α-helix	trans	-48.5	-45.5	-178.4	-163.6	-176.1	175.3	173.9	4.2	113	S184 E223 W226	R180-S184 WeakPolarHBondContact O-CB 3.22Å; R180-S184 PolarHBondContact O-N 3.02Å; R180-S184 PolarHBondContact O-OG 3.09Å; R180-E223 IonicContact CZ-OE1 3.71Å; R180-E223 IonicContact CZ-OE2 3.87Å; R180-E223 IonicContact NH1-OE1 2.7Å; R180-E223 PolarHBondContact NH1-OE1 3.24Å; R180-E223 IonicContact NH1-OE2 3.81Å; R180-E223 PolarHBondContact NH1-OE2 3.16Å; R180-E223 IonicContact NH2-OE2 2.8Å; R180-E223 PolarHBondContact NH2-OE2 3.02Å; R180-W226 HydrophobicContact CB-CH2 4.06Å; R180-W226 HydrophobicContact CB-CZ2 3.87Å; R180-W226 VanDerWaalsContact CD-CE2 3.43Å; R180-W226 HydrophobicContact CG-CD2 4.43Å; R180-W226 HydrophobicContact CG-CE3 4.36Å; R180-W226 HydrophobicContact CG-CH2 3.49Å; R180-W226 VanDerWaalsContact CG-CH2 3.49Å; R180-W226 HydrophobicContact CG-CZ2 3.56Å; R180-W226 HydrophobicContact CG-CZ3 3.88Å; R180-W226 VanDerWaalsContact CZ-CD2 3.41Å
181	Y	97.9	Very high	96.7	Very high	49 Å²	49	28.8 Å²	28.8	19%	0.192	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-56.9	175.4	164.5	-111.6	0	0	0	112.7	E97 G179 A183 S184 A185 A197 D199 M246	E97-Y181 VanDerWaalsContact OE2-CZ 3.31Å; E97-Y181 PolarHBondContact OE2-OH 3.44Å; G179-Y181 VanDerWaalsContact C-N 3.27Å; G179-Y181 PolarHBondContact O-N 3.02Å; G179-Y181 VanDerWaalsContact O-N 3.16Å; Y181-A183 VanDerWaalsContact C-N 3.32Å; Y181-A183 PolarHBondContact O-N 3.48Å; Y181-S184 PolarHBondContact O-N 3.14Å; Y181-A185 HydrophobicContact CE2-CB 4.23Å; Y181-A185 WeakPolarHBondContact O-CB 3.47Å; Y181-A185 PolarHBondContact O-N 3.02Å; Y181-A197 HydrophobicContact CD2-CB 4.32Å; Y181-A197 HydrophobicContact CE2-CB 4.41Å; Y181-D199 HydrophobicContact CD2-CB 3.93Å; Y181-D199 HydrophobicContact CE1-CB 4.39Å; Y181-D199 HydrophobicContact CE2-CB 3.54Å; Y181-M246 HydrophobicContact CE2-CE 3.71Å; Y181-M246 HydrophobicContact CE2-SD 4.33Å
182	T	98	Very high	96.7	Very high	3 Å²	3	31 Å²	31	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-39.5	-176.8	-60.1	0	0	0	0	111.4	E97 I98 Q101 V178 G179 A185 I186	E97-T182 HydrophobicContact CB-CG2 4.12Å; I98-T182 HydrophobicContact CD1-CG2 4.16Å; Q101-T182 PolarHBondContact NE2-OG1 3.24Å; V178-T182 HydrophobicContact CG1-CG2 4.04Å; V178-T182 HydrophobicContact CG2-CG2 4.21Å; G179-T182 PolarHBondContact O-N 3.2Å; T182-A185 PolarHBondContact O-N 3.24Å; T182-I186 HydrophobicContact CG2-CD1 3.69Å; T182-I186 HydrophobicContact CG2-CG1 4.38Å; T182-I186 WeakPolarHBondContact O-CB 3.43Å; T182-I186 WeakPolarHBondContact O-CD1 3.43Å; T182-I186 WeakPolarHBondContact O-CG1 3.16Å; T182-I186 PolarHBondContact O-N 3.35Å
183	A	98.4	Very high	96.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-46.8	175.2	0	0	0	0	0	111.9	V168 L171 L172 V178 G179 Y181 G187	V168-A183 HydrophobicContact CG1-CB 3.99Å; L171-A183 HydrophobicContact CB-CB 4.04Å; L172-A183 HydrophobicContact CB-CB 4.09Å; V178-A183 HydrophobicContact CG1-CB 3.84Å; G179-A183 PolarHBondContact O-N 3.46Å; Y181-A183 VanDerWaalsContact C-N 3.32Å; Y181-A183 PolarHBondContact O-N 3.48Å; A183-G187 PolarHBondContact O-N 3.45Å
184	S	98.4	Very high	96.8	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-37.2	177.2	-69.3	0	0	0	0	113.1	R180 Y181 S188 T195 G196	R180-S184 WeakPolarHBondContact O-CB 3.22Å; R180-S184 PolarHBondContact O-N 3.02Å; R180-S184 PolarHBondContact O-OG 3.09Å; Y181-S184 PolarHBondContact O-N 3.14Å; S184-S188 WeakPolarHBondContact O-CB 3.35Å; S184-S188 PolarHBondContact O-N 2.82Å; S184-S188 PolarHBondContact O-OG 2.96Å; S184-T195 PolarHBondContact OG-OG1 3.07Å; S184-G196 WeakPolarHBondContact CB-O 3.27Å; S184-G196 PolarHBondContact OG-O 3.11Å
185	A	98.4	Very high	96.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.2	-50.7	175.9	0	0	0	0	0	110.8	E97 Y181 T182 S188 I189 A197	E97-A185 HydrophobicContact CG-CB 4.07Å; Y181-A185 HydrophobicContact CE2-CB 4.23Å; Y181-A185 WeakPolarHBondContact O-CB 3.47Å; Y181-A185 PolarHBondContact O-N 3.02Å; T182-A185 PolarHBondContact O-N 3.24Å; A185-S188 PolarHBondContact O-OG 2.9Å; A185-I189 VanDerWaalsContact O-CB 3.26Å; A185-I189 WeakPolarHBondContact O-CB 3.28Å; A185-I189 WeakPolarHBondContact O-CD1 3.38Å; A185-I189 WeakPolarHBondContact O-CG1 3.45Å; A185-I189 PolarHBondContact O-N 2.88Å; A185-A197 HydrophobicContact CB-CB 4.37Å
186	I	98.5	Very high	97.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-48.5	175.6	-64.2	163.4	0	0	0	110.6	T90 V93 W94 L171 T182 S188 I189 A190	T90-I186 HydrophobicContact CG2-CG2 3.51Å; V93-I186 HydrophobicContact CG1-CG1 4.11Å; W94-I186 HydrophobicContact CB-CD1 3.64Å; W94-I186 HydrophobicContact CB-CG1 4.24Å; W94-I186 HydrophobicContact CG-CD1 3.82Å; L171-I186 HydrophobicContact CD1-CB 3.9Å; L171-I186 HydrophobicContact CD1-CG2 3.62Å; L171-I186 HydrophobicContact CD2-CD1 4.47Å; L171-I186 HydrophobicContact CD2-CG2 4.06Å; T182-I186 HydrophobicContact CG2-CD1 3.69Å; T182-I186 HydrophobicContact CG2-CG1 4.38Å; T182-I186 WeakPolarHBondContact O-CB 3.43Å; T182-I186 WeakPolarHBondContact O-CD1 3.43Å; T182-I186 WeakPolarHBondContact O-CG1 3.16Å; T182-I186 PolarHBondContact O-N 3.35Å; I186-S188 VanDerWaalsContact C-N 3.34Å; I186-S188 PolarHBondContact O-N 3.46Å; I186-I189 PolarHBondContact O-N 3.4Å; I186-A190 HydrophobicContact CG2-CB 4.35Å; I186-A190 WeakPolarHBondContact O-CB 3.42Å; I186-A190 PolarHBondContact O-N 3.35Å
187	G	98.4	Very high	97.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-41.1	-176.9	0	0	0	0	0	113.3	A183 L191 G192 Q193	A183-G187 PolarHBondContact O-N 3.45Å; G187-L191 CarbonylContact O-C 3.5Å; G187-L191 WeakPolarHBondContact O-CA 3.03Å; G187-L191 VanDerWaalsContact O-CB 3.26Å; G187-L191 WeakPolarHBondContact O-CB 3.31Å; G187-L191 PolarHBondContact O-N 3.16Å; G187-G192 PolarHBondContact O-N 3.38Å; G187-G192 VanDerWaalsContact O-N 3.11Å; G187-Q193 PolarHBondContact O-N 2.85Å
188	S	98.4	Very high	97.8	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-75.9	-43.5	176.9	58.3	0	0	0	0	113.1	S184 A185 I186 G192 Q193 G239 N242	S184-S188 WeakPolarHBondContact O-CB 3.35Å; S184-S188 PolarHBondContact O-N 2.82Å; S184-S188 PolarHBondContact O-OG 2.96Å; A185-S188 PolarHBondContact O-OG 2.9Å; I186-S188 VanDerWaalsContact C-N 3.34Å; I186-S188 PolarHBondContact O-N 3.46Å; S188-G192 WeakPolarHBondContact O-CA 3.2Å; S188-G192 PolarHBondContact O-N 3.47Å; S188-Q193 WeakPolarHBondContact CA-O 3.2Å; S188-G239 WeakPolarHBondContact O-CA 3.24Å; S188-G239 PolarHBondContact O-N 2.85Å; S188-N242 WeakPolarHBondContact CB-ND2 3.42Å; S188-N242 PolarHBondContact OG-ND2 2.93Å
189	I	98.4	Very high	97.9	Very high	27 Å²	27	23.7 Å²	23.7	14%	0.138	14%	0.138	C	C	.	.	H	α-helix	trans	-76.9	-47.6	-174.1	-63.3	167.8	0	0	0	111.8	A80 V93 A185 I186 Q243	A80-I189 HydrophobicContact CB-CG2 3.97Å; V93-I189 HydrophobicContact CG1-CB 4.15Å; V93-I189 HydrophobicContact CG1-CD1 4.39Å; V93-I189 HydrophobicContact CG1-CG2 4.1Å; V93-I189 HydrophobicContact CG2-CG2 3.79Å; A185-I189 VanDerWaalsContact O-CB 3.26Å; A185-I189 WeakPolarHBondContact O-CB 3.28Å; A185-I189 WeakPolarHBondContact O-CD1 3.38Å; A185-I189 WeakPolarHBondContact O-CG1 3.45Å; A185-I189 PolarHBondContact O-N 2.88Å; I186-I189 PolarHBondContact O-N 3.4Å; I189-Q243 HydrophobicContact CD1-CG 3.69Å; I189-Q243 HydrophobicContact CG1-CG 4.01Å
190	A	97.9	Very high	97.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-92	-32.4	-173.6	0	0	0	0	0	113.2	I86 R89 V93 I186	I86-A190 VanDerWaalsContact CD1-O 3.31Å; I86-A190 WeakPolarHBondContact CD1-O 3.22Å; R89-A190 HydrophobicContact CG-CB 4.07Å; R89-A190 PolarHBondContact NE-O 3.01Å; R89-A190 PolarHBondContact NH2-O 2.94Å; V93-A190 HydrophobicContact CB-CB 4.37Å; V93-A190 HydrophobicContact CG2-CB 4.13Å; I186-A190 HydrophobicContact CG2-CB 4.35Å; I186-A190 WeakPolarHBondContact O-CB 3.42Å; I186-A190 PolarHBondContact O-N 3.35Å
191	L	97.5	Very high	97.7	Very high	35 Å²	35	22.1 Å²	22.1	18%	0.183	14%	0.14	C	C	.	.	H	α-helix	trans	-110.7	-4.7	-170.7	-45.3	177.8	0	0	0	113.3	I86 T90 Q166 L171 G187 Q193	I86-L191 HydrophobicContact CD1-CD2 3.54Å; I86-L191 HydrophobicContact CG1-CD2 3.84Å; T90-L191 HydrophobicContact CG2-CD2 4.45Å; T90-L191 VanDerWaalsContact OG1-CD2 3.29Å; T90-L191 WeakPolarHBondContact OG1-CD2 3.48Å; Q166-L191 VanDerWaalsContact C-CD1 3.45Å; Q166-L191 WeakPolarHBondContact O-CD1 3.37Å; L171-L191 HydrophobicContact CD1-CD1 4Å; G187-L191 CarbonylContact O-C 3.5Å; G187-L191 WeakPolarHBondContact O-CA 3.03Å; G187-L191 VanDerWaalsContact O-CB 3.26Å; G187-L191 WeakPolarHBondContact O-CB 3.31Å; G187-L191 PolarHBondContact O-N 3.16Å; L191-Q193 HydrophobicContact CB-CG 4.16Å; L191-Q193 PolarHBondContact O-N 3Å
192	G	96.6	Very high	97.8	Very high	47 Å²	47	19.9 Å²	19.9	49%	0.485	13%	0.132	S	C	.	.			trans	68.3	12.4	-179.7	0	0	0	0	0	114.9	G187 S188 V194 S238	G187-G192 PolarHBondContact O-N 3.38Å; G187-G192 VanDerWaalsContact O-N 3.11Å; S188-G192 WeakPolarHBondContact O-CA 3.2Å; S188-G192 PolarHBondContact O-N 3.47Å; G192-V194 PolarHBondContact O-N 3.23Å; G192-S238 PolarHBondContact O-OG 3.43Å
193	Q	98.2	Very high	97.7	Very high	59 Å²	59	21.7 Å²	21.7	28%	0.276	14%	0.141	S	C	.	.			trans	-68.5	134.8	-178.2	-63.4	-159.2	-19.6	0	0	111.6	Q166 V168 G187 S188 L191 T195 S238	Q166-Q193 PolarHBondContact O-NE2 3.4Å; V168-Q193 HydrophobicContact CG2-CB 4.38Å; G187-Q193 PolarHBondContact O-N 2.85Å; S188-Q193 WeakPolarHBondContact CA-O 3.2Å; L191-Q193 HydrophobicContact CB-CG 4.16Å; L191-Q193 PolarHBondContact O-N 3Å; Q193-T195 VanDerWaalsContact C-N 3.3Å; Q193-T195 PolarHBondContact O-N 3.06Å; Q193-S238 WeakPolarHBondContact O-CB 3.38Å; Q193-S238 PolarHBondContact O-OG 2.78Å; Q193-S238 VanDerWaalsContact O-OG 3.11Å
194	V	98.4	Very high	97.7	Very high	86 Å²	86	22.7 Å²	22.7	52%	0.521	15%	0.145	S	C	.	.			trans	-76.6	82.6	179.7	-171.7	0	0	0	0	109.7	G192 V233 P235	G192-V194 PolarHBondContact O-N 3.23Å; V194-V233 HydrophobicContact CG1-CG1 3.76Å; V194-P235 WeakPolarHBondContact CG2-O 3.36Å
195	T	98.2	Very high	97.7	Very high	19 Å²	19	22.7 Å²	22.7	12%	0.117	14%	0.144	C	C	.	.			trans	-139.2	136.2	177.3	-175.3	0	0	0	0	109.9	V168 S184 Q193 N242	V168-T195 HydrophobicContact CG2-CG2 3.7Å; S184-T195 PolarHBondContact OG-OG1 3.07Å; Q193-T195 VanDerWaalsContact C-N 3.3Å; Q193-T195 PolarHBondContact O-N 3.06Å; T195-N242 PolarHBondContact O-ND2 2.8Å
196	G	98.2	Very high	97.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.144	C	C	.	.			trans	-73.4	145	171.9	0	0	0	0	0	111.1	S184 W226 N230 N242	S184-G196 WeakPolarHBondContact CB-O 3.27Å; S184-G196 PolarHBondContact OG-O 3.11Å; G196-W226 WeakPolarHBondContact O-CZ3 3.47Å; G196-N230 PolarHBondContact N-OD1 2.96Å; G196-N242 WeakPolarHBondContact CA-OD1 3.31Å
197	A	98	Very high	97.6	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	14%	0.144	C	C	.	.			trans	-116.8	126.8	174.7	0	0	0	0	0	110.7	Y181 A185 N242 M246	Y181-A197 HydrophobicContact CD2-CB 4.32Å; Y181-A197 HydrophobicContact CE2-CB 4.41Å; A185-A197 HydrophobicContact CB-CB 4.37Å; A197-N242 HydrophobicContact CB-CB 4.18Å; A197-N242 PolarHBondContact N-ND2 2.93Å; A197-N242 PolarHBondContact N-OD1 3.46Å; A197-M246 HydrophobicContact CB-CE 3.67Å
198	V	97.9	Very high	97.5	Very high	12 Å²	12	22.9 Å²	22.9	7%	0.073	15%	0.145	C	C	.	.			trans	-117.1	106	-173.2	-176.5	0	0	0	0	111.3	V202 I203 W226 A229	V198-V202 HydrophobicContact CB-CG1 4.49Å; V198-V202 HydrophobicContact CG1-CG1 4.34Å; V198-V202 HydrophobicContact CG2-CG1 4.29Å; V198-I203 HydrophobicContact CG1-CD1 4.35Å; V198-I203 HydrophobicContact CG1-CG1 3.55Å; V198-W226 HydrophobicContact CB-CD2 4.13Å; V198-W226 HydrophobicContact CB-CH2 4.35Å; V198-W226 HydrophobicContact CB-CZ2 3.91Å; V198-W226 HydrophobicContact CG2-CD2 3.8Å; V198-W226 HydrophobicContact CG2-CE3 3.98Å; V198-W226 HydrophobicContact CG2-CG 4.22Å; V198-W226 HydrophobicContact CG2-CZ2 4.38Å; V198-W226 HydrophobicContact CG2-CZ3 4.37Å; V198-A229 HydrophobicContact CG2-CB 3.45Å; V198-A229 VanDerWaalsContact CG2-CB 3.45Å
199	D	95.9	Very high	97.4	Very high	27 Å²	27	23 Å²	23	14%	0.144	15%	0.146	C	C	.	.			trans	-107.6	-175.5	169.9	82.5	-28.5	0	0	0	111.7	Y181 N201 V202 I203	Y181-D199 HydrophobicContact CD2-CB 3.93Å; Y181-D199 HydrophobicContact CE1-CB 4.39Å; Y181-D199 HydrophobicContact CE2-CB 3.54Å; D199-N201 VanDerWaalsContact CG-N 3.34Å; D199-N201 PolarHBondContact O-N 2.93Å; D199-N201 WeakPolarHBondContact OD1-CA 3.33Å; D199-N201 VanDerWaalsContact OD1-CB 3.29Å; D199-N201 WeakPolarHBondContact OD1-CB 3.37Å; D199-N201 PolarHBondContact OD1-N 2.99Å; D199-N201 WeakPolarHBondContact OD2-CB 3.4Å; D199-N201 PolarHBondContact OD2-N 3.47Å; D199-N201 PolarHBondContact OD2-ND2 2.7Å; D199-V202 PolarHBondContact O-N 3.26Å; D199-V202 WeakPolarHBondContact OD1-CG2 3.31Å; D199-V202 PolarHBondContact OD1-N 3.02Å; D199-I203 WeakPolarHBondContact O-CB 3.35Å; D199-I203 VanDerWaalsContact O-CG1 3.22Å; D199-I203 WeakPolarHBondContact O-CG1 3.45Å; D199-I203 PolarHBondContact O-N 3.34Å
200	G	94.2	Very high	97.3	Very high	50 Å²	50	21.9 Å²	21.9	52%	0.515	14%	0.14	S	C	.	.	H	α-helix	trans	-62.1	-22.7	176.6	0	0	0	0	0	114.7	R204	G200-R204 PolarHBondContact O-NH1 2.95Å
201	N	96.8	Very high	97.1	Very high	43 Å²	43	21.8 Å²	21.8	23%	0.23	14%	0.139	C	C	.	.	H	α-helix	trans	-75.6	-49.7	173.2	-64.7	-55.7	0	0	0	111	D199 R204 V205	D199-N201 VanDerWaalsContact CG-N 3.34Å; D199-N201 PolarHBondContact O-N 2.93Å; D199-N201 WeakPolarHBondContact OD1-CA 3.33Å; D199-N201 VanDerWaalsContact OD1-CB 3.29Å; D199-N201 WeakPolarHBondContact OD1-CB 3.37Å; D199-N201 PolarHBondContact OD1-N 2.99Å; D199-N201 WeakPolarHBondContact OD2-CB 3.4Å; D199-N201 PolarHBondContact OD2-N 3.47Å; D199-N201 PolarHBondContact OD2-ND2 2.7Å; N201-R204 WeakPolarHBondContact O-CB 3.47Å; N201-R204 PolarHBondContact O-N 2.87Å; N201-R204 PolarHBondContact OD1-NH2 2.93Å; N201-V205 WeakPolarHBondContact O-CG2 3.33Å; N201-V205 PolarHBondContact O-N 2.85Å
202	V	98.1	Very high	96.9	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	13%	0.13	C	C	.	.	H	α-helix	trans	-64.4	-41.4	178.9	178.4	0	0	0	0	111.4	V198 D199 R204 V205 L206 M245 M246	V198-V202 HydrophobicContact CB-CG1 4.49Å; V198-V202 HydrophobicContact CG1-CG1 4.34Å; V198-V202 HydrophobicContact CG2-CG1 4.29Å; D199-V202 PolarHBondContact O-N 3.26Å; D199-V202 WeakPolarHBondContact OD1-CG2 3.31Å; D199-V202 PolarHBondContact OD1-N 3.02Å; V202-R204 VanDerWaalsContact C-N 3.27Å; V202-R204 PolarHBondContact O-N 2.97Å; V202-V205 PolarHBondContact O-N 2.84Å; V202-L206 HydrophobicContact CG1-CD1 3.67Å; V202-L206 HydrophobicContact CG1-CG 3.98Å; V202-L206 WeakPolarHBondContact O-CB 3.42Å; V202-L206 WeakPolarHBondContact O-CG 3.46Å; V202-L206 PolarHBondContact O-N 3.17Å; V202-M245 HydrophobicContact CG1-CE 4.24Å; V202-M245 HydrophobicContact CG2-CB 3.82Å; V202-M246 HydrophobicContact CG2-CG 3.87Å
203	I	97.5	Very high	96.5	Very high	42 Å²	42	18 Å²	18	22%	0.215	11%	0.108	C	C	.	.	H	α-helix	trans	-51.6	-50.4	172.1	-71.3	170	0	0	0	109.9	V198 D199 L206 C207 L225	V198-I203 HydrophobicContact CG1-CD1 4.35Å; V198-I203 HydrophobicContact CG1-CG1 3.55Å; D199-I203 WeakPolarHBondContact O-CB 3.35Å; D199-I203 VanDerWaalsContact O-CG1 3.22Å; D199-I203 WeakPolarHBondContact O-CG1 3.45Å; D199-I203 PolarHBondContact O-N 3.34Å; I203-L206 PolarHBondContact O-N 2.9Å; I203-C207 VanDerWaalsContact O-CB 3.26Å; I203-C207 WeakPolarHBondContact O-CB 3.29Å; I203-C207 PolarHBondContact O-N 2.97Å; I203-C207 PolarHBondContact O-SG 3.2Å; I203-L225 HydrophobicContact CB-CD1 4.26Å; I203-L225 HydrophobicContact CG1-CD1 3.98Å; I203-L225 HydrophobicContact CG2-CD1 3.89Å
204	R	97.2	Very high	96.1	Very high	21 Å²	21	15.8 Å²	15.8	8%	0.079	10%	0.1	C	C	.	.	H	α-helix	trans	-65.2	-43.6	-178.5	177.2	173.5	67.1	-96.4	4.1	112.5	G200 N201 V202 R208 G249 C253 P322	G200-R204 PolarHBondContact O-NH1 2.95Å; N201-R204 WeakPolarHBondContact O-CB 3.47Å; N201-R204 PolarHBondContact O-N 2.87Å; N201-R204 PolarHBondContact OD1-NH2 2.93Å; V202-R204 VanDerWaalsContact C-N 3.27Å; V202-R204 PolarHBondContact O-N 2.97Å; R204-R208 WeakPolarHBondContact O-CG 3.27Å; R204-R208 PolarHBondContact O-N 3.42Å; R204-R208 VanDerWaalsContact O-N 3.13Å; R204-G249 PolarHBondContact NH2-O 3.03Å; R204-C253 PolarHBondContact NE-O 3.4Å; R204-C253 PolarHBondContact NH2-O 2.85Å; R204-P322 HydrophobicContact CB-CG 4.42Å
205	V	98.4	Very high	95.7	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-60.5	-52.1	177.5	169.8	0	0	0	0	110.3	N201 V202 R208 L209 M245 L248 C253	N201-V205 WeakPolarHBondContact O-CG2 3.33Å; N201-V205 PolarHBondContact O-N 2.85Å; V202-V205 PolarHBondContact O-N 2.84Å; V205-R208 PolarHBondContact O-N 2.83Å; V205-L209 HydrophobicContact CG1-CD1 3.75Å; V205-L209 HydrophobicContact CG1-CG 4.19Å; V205-L209 WeakPolarHBondContact O-CG 3.31Å; V205-L209 PolarHBondContact O-N 3.44Å; V205-M245 HydrophobicContact CB-CE 4.3Å; V205-M245 HydrophobicContact CG1-CE 3.58Å; V205-M245 HydrophobicContact CG1-SD 4.22Å; V205-L248 HydrophobicContact CG1-CD2 3.85Å; V205-L248 HydrophobicContact CG2-CD2 4.26Å; V205-L248 HydrophobicContact CG2-CG 4.38Å; V205-C253 HydrophobicContact CG2-CB 3.9Å
206	L	98.2	Very high	95.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.8	-41.9	-178.3	-69.8	178.9	0	0	0	112.2	V202 I203 R208 L209 R210 L225 L228 A229 L232 M245	V202-L206 HydrophobicContact CG1-CD1 3.67Å; V202-L206 HydrophobicContact CG1-CG 3.98Å; V202-L206 WeakPolarHBondContact O-CB 3.42Å; V202-L206 WeakPolarHBondContact O-CG 3.46Å; V202-L206 PolarHBondContact O-N 3.17Å; I203-L206 PolarHBondContact O-N 2.9Å; L206-R208 PolarHBondContact O-N 3.38Å; L206-L209 HydrophobicContact CD2-CD1 4.5Å; L206-L209 PolarHBondContact O-N 2.96Å; L206-R210 PolarHBondContact O-N 3.41Å; L206-L225 HydrophobicContact CB-CD2 3.56Å; L206-L225 HydrophobicContact CD1-CB 4.39Å; L206-L225 HydrophobicContact CD1-CD2 4.19Å; L206-L225 WeakPolarHBondContact CD1-O 3.42Å; L206-L228 HydrophobicContact CD1-CB 4.25Å; L206-L228 HydrophobicContact CD2-CB 4.3Å; L206-A229 HydrophobicContact CD1-CB 4.27Å; L206-L232 HydrophobicContact CD2-CD1 3.72Å; L206-M245 HydrophobicContact CD2-CE 3.66Å; L206-M245 HydrophobicContact CG-CE 4.03Å
207	C	96.8	Very high	94.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.3	-35.8	174.7	-76.3	0	0	0	0	112.3	I203 A211 I212 F321 P322	I203-C207 VanDerWaalsContact O-CB 3.26Å; I203-C207 WeakPolarHBondContact O-CB 3.29Å; I203-C207 PolarHBondContact O-N 2.97Å; I203-C207 PolarHBondContact O-SG 3.2Å; C207-A211 CarbonylContact O-C 3.29Å; C207-A211 WeakPolarHBondContact O-CA 3.3Å; C207-A211 PolarHBondContact O-N 3.34Å; C207-I212 HydrophobicContact CB-CB 4.38Å; C207-I212 PolarHBondContact O-N 3.36Å; C207-F321 HydrophobicContact CB-CB 4.45Å; C207-P322 HydrophobicContact CB-CB 3.89Å
208	R	96.9	Very high	94.6	Very high	5 Å²	5	20 Å²	20	2%	0.019	13%	0.13	C	C	.	.	H	α-helix	trans	-78.8	-40.3	175.7	-72.1	169.1	178.1	178.9	-0.8	112.9	R204 V205 L206 R210 C253 T254 P255 C269 S271 V318 F321	R204-R208 WeakPolarHBondContact O-CG 3.27Å; R204-R208 PolarHBondContact O-N 3.42Å; R204-R208 VanDerWaalsContact O-N 3.13Å; V205-R208 PolarHBondContact O-N 2.83Å; L206-R208 PolarHBondContact O-N 3.38Å; R208-R210 PolarHBondContact O-N 3.36Å; R208-C253 WeakPolarHBondContact CD-SG 3.42Å; R208-C253 PolarHBondContact NH1-O 2.75Å; R208-C253 PolarHBondContact NH1-SG 3.19Å; R208-T254 PolarHBondContact NH1-O 2.93Å; R208-T254 PolarHBondContact NH2-O 2.88Å; R208-T254 VanDerWaalsContact NH2-O 3.07Å; R208-P255 PolarHBondContact NH2-O 2.85Å; R208-C269 PolarHBondContact O-SG 2.78Å; R208-S271 WeakPolarHBondContact CA-OG 3.38Å; R208-S271 WeakPolarHBondContact O-CB 3.47Å; R208-S271 PolarHBondContact O-N 2.93Å; R208-S271 VanDerWaalsContact O-N 3.08Å; R208-S271 PolarHBondContact O-OG 2.95Å; R208-V318 PolarHBondContact NE-O 3.21Å; R208-F321 HydrophobicContact CG-CB 3.92Å; R208-F321 WeakPolarHBondContact CG-O 3.22Å; R208-F321 PolarHBondContact NE-O 3.24Å
209	L	97.1	Very high	94.3	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-37.6	176.9	-77.1	176.1	0	0	0	111.6	L59 V205 L206 V265 H268 C269 R270	L59-L209 HydrophobicContact CD1-CD1 4.27Å; V205-L209 HydrophobicContact CG1-CD1 3.75Å; V205-L209 HydrophobicContact CG1-CG 4.19Å; V205-L209 WeakPolarHBondContact O-CG 3.31Å; V205-L209 PolarHBondContact O-N 3.44Å; L206-L209 HydrophobicContact CD2-CD1 4.5Å; L206-L209 PolarHBondContact O-N 2.96Å; L209-V265 HydrophobicContact CD2-CG2 4.07Å; L209-H268 HydrophobicContact CD2-CB 4.36Å; L209-C269 HydrophobicContact CD2-CB 3.93Å; L209-R270 WeakPolarHBondContact O-CB 3.49Å; L209-R270 WeakPolarHBondContact O-CG 3.32Å; L209-R270 PolarHBondContact O-N 3.32Å
210	R	95.3	Very high	94.1	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.011	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	15.9	-175.4	-66.1	-55.6	-177.2	-152.9	24.7	115.4	H48 T49 F50 E55 L206 R208 I212 L228 H268	H48-R210 PolarHBondContact ND1-O 3.29Å; H48-R210 WeakPolarHBondContact O-CB 3.46Å; H48-R210 WeakPolarHBondContact O-CG 3.37Å; T49-R210 VanDerWaalsContact O-CZ 3.28Å; T49-R210 PolarHBondContact O-NE 3.36Å; T49-R210 VanDerWaalsContact O-NE 3.1Å; T49-R210 PolarHBondContact O-NH2 3.33Å; T49-R210 VanDerWaalsContact O-NH2 3.1Å; F50-R210 VanDerWaalsContact CA-NH2 3.33Å; F50-R210 HydrophobicContact CD2-CG 4.43Å; F50-R210 VanDerWaalsContact CD2-NE 3.35Å; F50-R210 HydrophobicContact CE2-CG 3.79Å; F50-R210 HydrophobicContact CZ-CG 4.28Å; F50-R210 VanDerWaalsContact CZ-NE 3.26Å; E55-R210 IonicContact OE1-CZ 3.78Å; E55-R210 IonicContact OE1-NH1 2.94Å; E55-R210 PolarHBondContact OE1-NH1 3.39Å; E55-R210 IonicContact OE1-NH2 2.83Å; E55-R210 PolarHBondContact OE1-NH2 2.89Å; E55-R210 IonicContact OE2-CZ 3.29Å; E55-R210 IonicContact OE2-NH2 3.96Å; E55-R210 PolarHBondContact OE2-NH2 2.81Å; L206-R210 PolarHBondContact O-N 3.41Å; R208-R210 PolarHBondContact O-N 3.36Å; R210-I212 HydrophobicContact CB-CD1 4.21Å; R210-I212 HydrophobicContact CB-CG1 4.16Å; R210-I212 PolarHBondContact O-N 3.34Å; R210-I212 VanDerWaalsContact O-N 3.13Å; R210-L228 HydrophobicContact CB-CD1 4.44Å; R210-L228 HydrophobicContact CG-CD1 4.3Å; R210-H268 PolarHBondContact NH1-O 3.47Å
211	A	93.1	Very high	94.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	43.8	176.9	0	0	0	0	0	113.1	Y47 H48 C207 G213 R270 I295 F321	Y47-A211 HydrophobicContact CE1-CB 3.82Å; H48-A211 PolarHBondContact CE1-O 3.47Å; H48-A211 VanDerWaalsContact CE1-O 3.32Å; C207-A211 CarbonylContact O-C 3.29Å; C207-A211 WeakPolarHBondContact O-CA 3.3Å; C207-A211 PolarHBondContact O-N 3.34Å; A211-G213 PolarHBondContact O-N 3.24Å; A211-R270 HydrophobicContact CB-CB 4.12Å; A211-I295 HydrophobicContact CB-CD1 4.46Å; A211-F321 HydrophobicContact CB-CE1 4.35Å; A211-F321 HydrophobicContact CB-CE2 3.9Å; A211-F321 HydrophobicContact CB-CZ 3.77Å; A211-F321 WeakPolarHBondContact O-CE1 3.29Å
212	I	93	Very high	94	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.147	C	C	.	.			trans	-83.7	109.7	177.3	-60	169.3	0	0	0	107.7	H48 C207 R210 V221 L225 L228 L306 F321	H48-I212 HydrophobicContact CB-CG1 4.27Å; C207-I212 HydrophobicContact CB-CB 4.38Å; C207-I212 PolarHBondContact O-N 3.36Å; R210-I212 HydrophobicContact CB-CD1 4.21Å; R210-I212 HydrophobicContact CB-CG1 4.16Å; R210-I212 PolarHBondContact O-N 3.34Å; R210-I212 VanDerWaalsContact O-N 3.13Å; I212-V221 HydrophobicContact CG2-CG1 3.83Å; I212-V221 HydrophobicContact CG2-CG2 4.2Å; I212-L225 HydrophobicContact CD1-CD2 3.86Å; I212-L228 HydrophobicContact CD1-CD1 3.72Å; I212-L306 HydrophobicContact CG2-CB 4.22Å; I212-L306 HydrophobicContact CG2-CD2 4.34Å; I212-F321 VanDerWaalsContact O-CD1 3.28Å; I212-F321 WeakPolarHBondContact O-CD1 3.45Å
213	G	89.9	Confident	93.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.01	16%	0.163	C	C	.	.			trans	-108.5	-10.1	-171.7	0	0	0	0	0	115.7	A211 L306 F321 R323	A211-G213 PolarHBondContact O-N 3.24Å; G213-L306 PolarHBondContact N-O 3.01Å; G213-F321 VanDerWaalsContact CA-CD1 3.48Å; G213-F321 VanDerWaalsContact CA-CE1 3.45Å; G213-R323 VanDerWaalsContact O-CB 3.31Å; G213-R323 WeakPolarHBondContact O-CB 3.32Å; G213-R323 WeakPolarHBondContact O-CG 3.46Å
214	A	89.3	Confident	93.9	Very high	13 Å²	13	25 Å²	25	11%	0.107	16%	0.156	C	C	.	.	S	Bend	trans	-65.3	165.8	171.5	0	0	0	0	0	111.7	S216 V221 S305 L306 C307	A214-S216 PolarHBondContact O-N 3.22Å; A214-V221 HydrophobicContact CB-CG2 3.55Å; A214-S305 WeakPolarHBondContact CB-O 3.25Å; A214-L306 PolarHBondContact N-O 3.44Å; A214-L306 VanDerWaalsContact N-O 3.08Å; A214-C307 WeakPolarHBondContact CB-O 3.4Å; A214-C307 PolarHBondContact N-O 3.04Å
215	D	89.7	Confident	93.9	Very high	60 Å²	60	24.1 Å²	24.1	32%	0.321	15%	0.153	S	C	.	.			trans	-56.6	115.2	179.6	-179.1	-1.3	0	0	0	111.1	S217 S218 V221	D215-S217 PolarHBondContact O-N 3.1Å; D215-S217 WeakPolarHBondContact OD1-CB 3.47Å; D215-S217 PolarHBondContact OD1-N 2.91Å; D215-S217 PolarHBondContact OD1-OG 3.45Å; D215-S217 PolarHBondContact OD2-OG 3.15Å; D215-S218 VanDerWaalsContact O-CB 3.3Å; D215-S218 WeakPolarHBondContact O-CB 3.42Å; D215-S218 PolarHBondContact O-N 3.37Å; D215-S218 PolarHBondContact O-OG 3.14Å; D215-V221 WeakPolarHBondContact O-CB 3.48Å; D215-V221 WeakPolarHBondContact O-CG2 3.39Å
216	S	90.5	Very high	93.9	Very high	24 Å²	24	24.9 Å²	24.9	17%	0.168	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.2	178.3	60.9	0	0	0	0	114.7	A214	A214-S216 PolarHBondContact O-N 3.22Å
217	S	89.3	Confident	93.9	Very high	82 Å²	82	31.8 Å²	31.8	57%	0.573	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-6.6	175.3	74.6	0	0	0	0	113.9	D215	D215-S217 PolarHBondContact O-N 3.1Å; D215-S217 WeakPolarHBondContact OD1-CB 3.47Å; D215-S217 PolarHBondContact OD1-N 2.91Å; D215-S217 PolarHBondContact OD1-OG 3.45Å; D215-S217 PolarHBondContact OD2-OG 3.15Å
218	S	91.3	Very high	93.9	Very high	30 Å²	30	32.1 Å²	32.1	21%	0.21	18%	0.184	C	C	.	.	S	Bend	trans	-68.5	146.9	176.3	70.8	0	0	0	0	111.4	D215 A220 V221 T222	D215-S218 VanDerWaalsContact O-CB 3.3Å; D215-S218 WeakPolarHBondContact O-CB 3.42Å; D215-S218 PolarHBondContact O-N 3.37Å; D215-S218 PolarHBondContact O-OG 3.14Å; S218-A220 VanDerWaalsContact C-N 3.3Å; S218-A220 PolarHBondContact O-N 3.32Å; S218-V221 PolarHBondContact O-N 3.03Å; S218-V221 WeakPolarHBondContact OG-CB 3.43Å; S218-V221 WeakPolarHBondContact OG-CG2 3.49Å; S218-V221 PolarHBondContact OG-N 3.19Å; S218-T222 WeakPolarHBondContact O-CB 3.33Å; S218-T222 PolarHBondContact O-N 2.87Å; S218-T222 PolarHBondContact O-OG1 3.45Å
219	P	92.7	Very high	94	Very high	106 Å²	106	32.1 Å²	32.1	69%	0.688	19%	0.185	S	C	*	.	H	α-helix	trans	-58.3	-39.8	177.4	-26.8	35.2	0	0	0	113.3	T222 E223	P219-T222 PolarHBondContact O-N 2.88Å; P219-E223 PolarHBondContact O-N 3.12Å
220	A	92	Very high	94.1	Very high	42 Å²	42	35.2 Å²	35.2	35%	0.347	20%	0.201	S	C	.	.	H	α-helix	trans	-62.7	-47.5	-179.7	0	0	0	0	0	112.2	S218 A224	S218-A220 VanDerWaalsContact C-N 3.3Å; S218-A220 PolarHBondContact O-N 3.32Å; A220-A224 WeakPolarHBondContact O-CB 3.22Å; A220-A224 PolarHBondContact O-N 3.31Å
221	V	93.6	Very high	94.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-42.7	176.8	175.4	0	0	0	0	110.7	I212 A214 D215 S218 E223 A224 L225 L306	I212-V221 HydrophobicContact CG2-CG1 3.83Å; I212-V221 HydrophobicContact CG2-CG2 4.2Å; A214-V221 HydrophobicContact CB-CG2 3.55Å; D215-V221 WeakPolarHBondContact O-CB 3.48Å; D215-V221 WeakPolarHBondContact O-CG2 3.39Å; S218-V221 PolarHBondContact O-N 3.03Å; S218-V221 WeakPolarHBondContact OG-CB 3.43Å; S218-V221 WeakPolarHBondContact OG-CG2 3.49Å; S218-V221 PolarHBondContact OG-N 3.19Å; V221-E223 PolarHBondContact O-N 3.09Å; V221-A224 PolarHBondContact O-N 3.08Å; V221-L225 HydrophobicContact CG1-CD1 3.72Å; V221-L225 HydrophobicContact CG1-CG 4.04Å; V221-L225 VanDerWaalsContact O-CG 3.24Å; V221-L225 WeakPolarHBondContact O-CG 3.13Å; V221-L225 PolarHBondContact O-N 3.34Å; V221-L306 HydrophobicContact CB-CD2 4.37Å; V221-L306 HydrophobicContact CG2-CD2 3.77Å
222	T	95.1	Very high	94.4	Very high	46 Å²	46	38.9 Å²	38.9	28%	0.282	22%	0.22	S	C	.	.	H	α-helix	trans	-55.1	-51.4	177.8	-61.2	0	0	0	0	110.9	S218 P219 A224 L225 W226	S218-T222 WeakPolarHBondContact O-CB 3.33Å; S218-T222 PolarHBondContact O-N 2.87Å; S218-T222 PolarHBondContact O-OG1 3.45Å; P219-T222 PolarHBondContact O-N 2.88Å; T222-A224 PolarHBondContact O-N 3.22Å; T222-L225 PolarHBondContact O-N 3.3Å; T222-W226 PolarHBondContact O-N 2.79Å
223	E	96.3	Very high	94.7	Very high	78 Å²	78	39 Å²	39	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-67	-35.2	178.3	-71.8	-50.6	131.1	0	0	113.2	R180 P219 V221 W226 R227	R180-E223 IonicContact CZ-OE1 3.71Å; R180-E223 IonicContact CZ-OE2 3.87Å; R180-E223 IonicContact NH1-OE1 2.7Å; R180-E223 PolarHBondContact NH1-OE1 3.24Å; R180-E223 IonicContact NH1-OE2 3.81Å; R180-E223 PolarHBondContact NH1-OE2 3.16Å; R180-E223 IonicContact NH2-OE2 2.8Å; R180-E223 PolarHBondContact NH2-OE2 3.02Å; P219-E223 PolarHBondContact O-N 3.12Å; V221-E223 PolarHBondContact O-N 3.09Å; E223-W226 PolarHBondContact O-N 2.85Å; E223-R227 WeakPolarHBondContact O-CG 3.43Å; E223-R227 PolarHBondContact O-N 3.4Å
224	A	96.1	Very high	95.1	Very high	8 Å²	8	40 Å²	40	7%	0.066	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-43.9	173.6	0	0	0	0	0	111.9	A220 V221 T222 R227 L228 L306	A220-A224 WeakPolarHBondContact O-CB 3.22Å; A220-A224 PolarHBondContact O-N 3.31Å; V221-A224 PolarHBondContact O-N 3.08Å; T222-A224 PolarHBondContact O-N 3.22Å; A224-R227 PolarHBondContact O-N 2.85Å; A224-L228 VanDerWaalsContact O-CG 3.31Å; A224-L228 WeakPolarHBondContact O-CG 3.42Å; A224-L228 PolarHBondContact O-N 3.11Å; A224-L306 HydrophobicContact CB-CD1 3.99Å; A224-L306 HydrophobicContact CB-CD2 3.75Å
225	L	97.6	Very high	95.5	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-40.6	178	-66.3	172.4	0	0	0	112	I203 L206 I212 V221 T222 L228 A229	I203-L225 HydrophobicContact CB-CD1 4.26Å; I203-L225 HydrophobicContact CG1-CD1 3.98Å; I203-L225 HydrophobicContact CG2-CD1 3.89Å; L206-L225 HydrophobicContact CB-CD2 3.56Å; L206-L225 HydrophobicContact CD1-CB 4.39Å; L206-L225 HydrophobicContact CD1-CD2 4.19Å; L206-L225 WeakPolarHBondContact CD1-O 3.42Å; I212-L225 HydrophobicContact CD1-CD2 3.86Å; V221-L225 HydrophobicContact CG1-CD1 3.72Å; V221-L225 HydrophobicContact CG1-CG 4.04Å; V221-L225 VanDerWaalsContact O-CG 3.24Å; V221-L225 WeakPolarHBondContact O-CG 3.13Å; V221-L225 PolarHBondContact O-N 3.34Å; T222-L225 PolarHBondContact O-N 3.3Å; L225-L228 PolarHBondContact O-N 2.78Å; L225-A229 WeakPolarHBondContact O-CB 3.35Å; L225-A229 PolarHBondContact O-N 3.31Å
226	W	98.2	Very high	95.8	Very high	18 Å²	18	48.5 Å²	48.5	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-40.4	173.9	-83.4	102.3	0	0	0	112.8	R180 G196 V198 T222 E223 A229 N230	R180-W226 HydrophobicContact CB-CH2 4.06Å; R180-W226 HydrophobicContact CB-CZ2 3.87Å; R180-W226 VanDerWaalsContact CD-CE2 3.43Å; R180-W226 HydrophobicContact CG-CD2 4.43Å; R180-W226 HydrophobicContact CG-CE3 4.36Å; R180-W226 HydrophobicContact CG-CH2 3.49Å; R180-W226 VanDerWaalsContact CG-CH2 3.49Å; R180-W226 HydrophobicContact CG-CZ2 3.56Å; R180-W226 HydrophobicContact CG-CZ3 3.88Å; R180-W226 VanDerWaalsContact CZ-CD2 3.41Å; G196-W226 WeakPolarHBondContact O-CZ3 3.47Å; V198-W226 HydrophobicContact CB-CD2 4.13Å; V198-W226 HydrophobicContact CB-CH2 4.35Å; V198-W226 HydrophobicContact CB-CZ2 3.91Å; V198-W226 HydrophobicContact CG2-CD2 3.8Å; V198-W226 HydrophobicContact CG2-CE3 3.98Å; V198-W226 HydrophobicContact CG2-CG 4.22Å; V198-W226 HydrophobicContact CG2-CZ2 4.38Å; V198-W226 HydrophobicContact CG2-CZ3 4.37Å; T222-W226 PolarHBondContact O-N 2.79Å; E223-W226 PolarHBondContact O-N 2.85Å; W226-A229 PolarHBondContact O-N 2.83Å; W226-N230 PolarHBondContact O-N 3.39Å; W226-N230 PolarHBondContact O-ND2 2.75Å
227	R	97.6	Very high	96.2	Very high	146 Å²	146	51 Å²	51	55%	0.551	27%	0.274	S	S	*	.	H	α-helix	trans	-61.2	-45	172.9	-75.7	-171.9	-64.2	-106.9	1.5	111.8	E223 A224 N230 L231	E223-R227 WeakPolarHBondContact O-CG 3.43Å; E223-R227 PolarHBondContact O-N 3.4Å; A224-R227 PolarHBondContact O-N 2.85Å; R227-N230 PolarHBondContact O-N 2.97Å; R227-L231 WeakPolarHBondContact O-CB 3.38Å; R227-L231 PolarHBondContact O-N 2.95Å
228	L	98.2	Very high	96.6	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-44	176.5	-70.6	171.3	0	0	0	111.8	F50 L206 R210 I212 A224 L225 N230 L231 L232	F50-L228 HydrophobicContact CD2-CD2 3.82Å; F50-L228 HydrophobicContact CE2-CD2 4.14Å; L206-L228 HydrophobicContact CD1-CB 4.25Å; L206-L228 HydrophobicContact CD2-CB 4.3Å; R210-L228 HydrophobicContact CB-CD1 4.44Å; R210-L228 HydrophobicContact CG-CD1 4.3Å; I212-L228 HydrophobicContact CD1-CD1 3.72Å; A224-L228 VanDerWaalsContact O-CG 3.31Å; A224-L228 WeakPolarHBondContact O-CG 3.42Å; A224-L228 PolarHBondContact O-N 3.11Å; L225-L228 PolarHBondContact O-N 2.78Å; L228-N230 PolarHBondContact O-N 3.37Å; L228-L231 PolarHBondContact O-N 3.49Å; L228-L232 WeakPolarHBondContact O-CB 3.49Å; L228-L232 VanDerWaalsContact O-CG 3.26Å; L228-L232 WeakPolarHBondContact O-CG 3.45Å; L228-L232 PolarHBondContact O-N 3.42Å
229	A	98.4	Very high	96.9	Very high	5 Å²	5	46.2 Å²	46.2	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-43.7	177.7	0	0	0	0	0	112	V198 L206 L225 W226 L231 L232 V233	V198-A229 HydrophobicContact CG2-CB 3.45Å; V198-A229 VanDerWaalsContact CG2-CB 3.45Å; L206-A229 HydrophobicContact CD1-CB 4.27Å; L225-A229 WeakPolarHBondContact O-CB 3.35Å; L225-A229 PolarHBondContact O-N 3.31Å; W226-A229 PolarHBondContact O-N 2.83Å; A229-L231 VanDerWaalsContact C-N 3.35Å; A229-L232 PolarHBondContact O-N 2.79Å; A229-V233 PolarHBondContact O-N 2.75Å
230	N	98.3	Very high	97.2	Very high	68 Å²	68	42.6 Å²	42.6	36%	0.364	22%	0.217	S	C	.	.	H	α-helix	trans	-69.3	-30.3	176.4	-74.6	-38.1	0	0	0	113.3	G196 W226 R227 L228 V233	G196-N230 PolarHBondContact N-OD1 2.96Å; W226-N230 PolarHBondContact O-N 3.39Å; W226-N230 PolarHBondContact O-ND2 2.75Å; R227-N230 PolarHBondContact O-N 2.97Å; L228-N230 PolarHBondContact O-N 3.37Å; N230-V233 WeakPolarHBondContact O-CG1 3.47Å
231	L	97.6	Very high	97.5	Very high	80 Å²	80	40.8 Å²	40.8	42%	0.419	20%	0.201	S	C	.	.	H	α-helix	trans	-68.6	-39.6	173	179.2	64.7	0	0	0	111.3	F50 R60 R227 L228 A229	F50-L231 HydrophobicContact CB-CD2 3.84Å; R60-L231 PolarHBondContact NH2-O 2.83Å; R227-L231 WeakPolarHBondContact O-CB 3.38Å; R227-L231 PolarHBondContact O-N 2.95Å; L228-L231 PolarHBondContact O-N 3.49Å; A229-L231 VanDerWaalsContact C-N 3.35Å
232	L	98.3	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-85.2	-26.9	-174	-70.5	177.7	0	0	0	114.3	F50 V56 L59 R60 L206 L228 A229 D234 F241	F50-L232 HydrophobicContact CD1-CD2 3.85Å; F50-L232 HydrophobicContact CD2-CD1 4.3Å; F50-L232 HydrophobicContact CD2-CD2 3.83Å; F50-L232 HydrophobicContact CD2-CG 4.16Å; F50-L232 HydrophobicContact CE1-CD2 3.9Å; F50-L232 HydrophobicContact CE2-CD1 3.65Å; F50-L232 HydrophobicContact CE2-CD2 3.84Å; F50-L232 HydrophobicContact CE2-CG 4.02Å; F50-L232 HydrophobicContact CG-CD2 3.87Å; F50-L232 HydrophobicContact CZ-CD1 3.9Å; F50-L232 HydrophobicContact CZ-CD2 3.9Å; F50-L232 HydrophobicContact CZ-CG 4.4Å; V56-L232 HydrophobicContact CG1-CD2 4.09Å; V56-L232 HydrophobicContact CG2-CD2 4.16Å; L59-L232 HydrophobicContact CD1-CD2 4.2Å; L59-L232 HydrophobicContact CD2-CD2 4.31Å; R60-L232 WeakPolarHBondContact CG-O 3.34Å; R60-L232 PolarHBondContact NE-O 3.48Å; L206-L232 HydrophobicContact CD2-CD1 3.72Å; L228-L232 WeakPolarHBondContact O-CB 3.49Å; L228-L232 VanDerWaalsContact O-CG 3.26Å; L228-L232 WeakPolarHBondContact O-CG 3.45Å; L228-L232 PolarHBondContact O-N 3.42Å; A229-L232 PolarHBondContact O-N 2.79Å; L232-D234 PolarHBondContact O-N 2.85Å; L232-F241 HydrophobicContact CB-CE1 4.03Å; L232-F241 HydrophobicContact CB-CZ 3.7Å; L232-F241 WeakPolarHBondContact O-CE2 3.42Å; L232-F241 VanDerWaalsContact O-CZ 3.32Å; L232-F241 WeakPolarHBondContact O-CZ 3.26Å
233	V	98.4	Very high	97.9	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	19%	0.192	C	C	.	.	S	Bend	trans	-53.3	133.2	-175.5	68.8	0	0	0	0	111	R60 V194 A229 N230 F241	R60-V233 VanDerWaalsContact CZ-O 3.29Å; R60-V233 PolarHBondContact NE-O 2.81Å; R60-V233 PolarHBondContact NH2-O 2.78Å; V194-V233 HydrophobicContact CG1-CG1 3.76Å; A229-V233 PolarHBondContact O-N 2.75Å; N230-V233 WeakPolarHBondContact O-CG1 3.47Å; V233-F241 HydrophobicContact CB-CD1 4.22Å; V233-F241 HydrophobicContact CG2-CD1 4.16Å
234	D	98.5	Very high	98	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.118	18%	0.175	C	C	.	.			trans	-70.7	131.1	179.3	-169.8	-89.8	0	0	0	110.4	R60 L64 L232 E236 R237 S238 F241	R60-D234 HydrophobicContact CG-CB 4.44Å; L64-D234 HydrophobicContact CD1-CB 4.15Å; L232-D234 PolarHBondContact O-N 2.85Å; D234-E236 VanDerWaalsContact C-N 3.31Å; D234-E236 PolarHBondContact O-N 2.89Å; D234-E236 PolarHBondContact OD1-N 3.25Å; D234-R237 PolarHBondContact OD1-N 2.83Å; D234-S238 WeakPolarHBondContact O-CA 3.24Å; D234-S238 WeakPolarHBondContact O-CB 3.5Å; D234-S238 PolarHBondContact O-N 3.27Å; D234-F241 HydrophobicContact CB-CB 3.88Å; D234-F241 HydrophobicContact CB-CD2 4.1Å; D234-F241 HydrophobicContact CB-CG 4.18Å
235	P	97.6	Very high	98.2	Very high	73 Å²	73	35.7 Å²	35.7	47%	0.474	17%	0.173	S	C	.	.	S	Bend	trans	-71.7	-23.5	-176.9	28.2	-34.5	0	0	0	113.6	V194	V194-P235 WeakPolarHBondContact CG2-O 3.36Å
236	E	97.4	Very high	98.2	Very high	180 Å²	180	36.6 Å²	36.6	84%	0.841	18%	0.177	S	C	*	.	S	Bend	trans	-97.1	-35.7	-178.6	-62.7	-177.9	176.2	0	0	111.6	D234	D234-E236 VanDerWaalsContact C-N 3.31Å; D234-E236 PolarHBondContact O-N 2.89Å; D234-E236 PolarHBondContact OD1-N 3.25Å
237	R	97.7	Very high	98.2	Very high	76 Å²	76	35.8 Å²	35.8	29%	0.287	17%	0.174	S	C	.	.	S	Bend	trans	-123.5	45.8	-173.9	-63.8	-176.4	63	-168.3	-0.2	112.1	L64 D68 D234 G239 D240 F241	L64-R237 HydrophobicContact CD1-CB 4.31Å; D68-R237 IonicContact OD1-CZ 3.73Å; D68-R237 IonicContact OD1-NH1 3.33Å; D68-R237 IonicContact OD1-NH2 2.79Å; D68-R237 PolarHBondContact OD1-NH2 3.16Å; D68-R237 IonicContact OD2-CZ 3.48Å; D68-R237 IonicContact OD2-NH1 2.76Å; D68-R237 PolarHBondContact OD2-NH1 3.17Å; D68-R237 IonicContact OD2-NH2 3.19Å; D68-R237 PolarHBondContact OD2-NH2 3.38Å; D234-R237 PolarHBondContact OD1-N 2.83Å; R237-G239 VanDerWaalsContact C-N 3.35Å; R237-G239 PolarHBondContact O-N 3.4Å; R237-D240 HydrophobicContact CB-CB 4.26Å; R237-D240 IonicContact CZ-OD2 3.84Å; R237-D240 IonicContact NE-OD2 3.95Å; R237-D240 PolarHBondContact NE-OD2 2.99Å; R237-D240 IonicContact NH2-OD2 3.55Å; R237-D240 PolarHBondContact NH2-OD2 3.16Å; R237-D240 PolarHBondContact O-N 3.07Å; R237-F241 WeakPolarHBondContact O-CB 3.16Å; R237-F241 PolarHBondContact O-N 2.91Å
238	S	97.9	Very high	98.2	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-53.6	-46	-174.7	60.9	0	0	0	0	113.6	G192 Q193 D234 F241 N242	G192-S238 PolarHBondContact O-OG 3.43Å; Q193-S238 WeakPolarHBondContact O-CB 3.38Å; Q193-S238 PolarHBondContact O-OG 2.78Å; Q193-S238 VanDerWaalsContact O-OG 3.11Å; D234-S238 WeakPolarHBondContact O-CA 3.24Å; D234-S238 WeakPolarHBondContact O-CB 3.5Å; D234-S238 PolarHBondContact O-N 3.27Å; S238-F241 PolarHBondContact O-N 2.85Å; S238-N242 PolarHBondContact O-N 2.92Å; S238-N242 PolarHBondContact O-ND2 2.96Å
239	G	98.1	Very high	98.2	Very high	8 Å²	8	28.5 Å²	28.5	8%	0.082	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-47.2	176.7	0	0	0	0	0	113.3	S188 R237 N242 Q243	S188-G239 WeakPolarHBondContact O-CA 3.24Å; S188-G239 PolarHBondContact O-N 2.85Å; R237-G239 VanDerWaalsContact C-N 3.35Å; R237-G239 PolarHBondContact O-N 3.4Å; G239-N242 PolarHBondContact O-N 2.85Å; G239-Q243 VanDerWaalsContact O-CG 3.29Å; G239-Q243 WeakPolarHBondContact O-CG 3.5Å; G239-Q243 PolarHBondContact O-N 3.46Å
240	D	98.5	Very high	98.1	Very high	31 Å²	31	30.3 Å²	30.3	17%	0.166	16%	0.161	C	C	.	.	H	α-helix	trans	-65.5	-40.9	177.1	-74.4	-24.1	0	0	0	111.5	L64 Y67 R237 N242 Q243 A244	L64-D240 HydrophobicContact CD2-CB 3.95Å; Y67-D240 HydrophobicContact CD1-CB 4.32Å; Y67-D240 HydrophobicContact CE1-CB 4.15Å; R237-D240 HydrophobicContact CB-CB 4.26Å; R237-D240 IonicContact CZ-OD2 3.84Å; R237-D240 IonicContact NE-OD2 3.95Å; R237-D240 PolarHBondContact NE-OD2 2.99Å; R237-D240 IonicContact NH2-OD2 3.55Å; R237-D240 PolarHBondContact NH2-OD2 3.16Å; R237-D240 PolarHBondContact O-N 3.07Å; D240-N242 PolarHBondContact O-N 2.69Å; D240-Q243 PolarHBondContact O-N 3.31Å; D240-A244 VanDerWaalsContact O-CB 3.25Å; D240-A244 WeakPolarHBondContact O-CB 3.44Å; D240-A244 PolarHBondContact O-N 2.71Å
241	F	98.8	Very high	98	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.013	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-47.5	178.1	-179.1	-84.5	0	0	0	111.6	L59 R60 L63 L64 L232 V233 D234 R237 S238 Q243 A244 M245	L59-F241 HydrophobicContact CD2-CE2 4.08Å; L59-F241 HydrophobicContact CD2-CZ 4.16Å; R60-F241 HydrophobicContact CB-CE2 4.43Å; R60-F241 HydrophobicContact CG-CD2 4.1Å; R60-F241 HydrophobicContact CG-CE2 3.79Å; L63-F241 HydrophobicContact CD2-CD2 4.06Å; L63-F241 HydrophobicContact CD2-CE2 3.65Å; L63-F241 HydrophobicContact CD2-CZ 3.98Å; L64-F241 HydrophobicContact CD2-CB 4.24Å; L232-F241 HydrophobicContact CB-CE1 4.03Å; L232-F241 HydrophobicContact CB-CZ 3.7Å; L232-F241 WeakPolarHBondContact O-CE2 3.42Å; L232-F241 VanDerWaalsContact O-CZ 3.32Å; L232-F241 WeakPolarHBondContact O-CZ 3.26Å; V233-F241 HydrophobicContact CB-CD1 4.22Å; V233-F241 HydrophobicContact CG2-CD1 4.16Å; D234-F241 HydrophobicContact CB-CB 3.88Å; D234-F241 HydrophobicContact CB-CD2 4.1Å; D234-F241 HydrophobicContact CB-CG 4.18Å; R237-F241 WeakPolarHBondContact O-CB 3.16Å; R237-F241 PolarHBondContact O-N 2.91Å; S238-F241 PolarHBondContact O-N 2.85Å; F241-Q243 VanDerWaalsContact C-N 3.35Å; F241-Q243 PolarHBondContact O-N 2.95Å; F241-A244 WeakPolarHBondContact O-CB 3.37Å; F241-A244 PolarHBondContact O-N 3.42Å; F241-M245 HydrophobicContact CD1-CG 4.12Å; F241-M245 HydrophobicContact CE1-CG 3.55Å; F241-M245 HydrophobicContact CE1-SD 4.38Å; F241-M245 HydrophobicContact CZ-CG 3.84Å; F241-M245 HydrophobicContact CZ-SD 4.14Å; F241-M245 PolarHBondContact O-N 3.46Å
242	N	98.7	Very high	98	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.011	15%	0.148	C	C	.	.	H	α-helix	trans	-61	-45.5	177.3	-81.6	-28.1	0	0	0	111.5	S188 T195 G196 A197 S238 G239 D240 A244 M245 M246	S188-N242 WeakPolarHBondContact CB-ND2 3.42Å; S188-N242 PolarHBondContact OG-ND2 2.93Å; T195-N242 PolarHBondContact O-ND2 2.8Å; G196-N242 WeakPolarHBondContact CA-OD1 3.31Å; A197-N242 HydrophobicContact CB-CB 4.18Å; A197-N242 PolarHBondContact N-ND2 2.93Å; A197-N242 PolarHBondContact N-OD1 3.46Å; S238-N242 PolarHBondContact O-N 2.92Å; S238-N242 PolarHBondContact O-ND2 2.96Å; G239-N242 PolarHBondContact O-N 2.85Å; D240-N242 PolarHBondContact O-N 2.69Å; N242-A244 VanDerWaalsContact C-N 3.3Å; N242-A244 PolarHBondContact O-N 3.2Å; N242-M245 PolarHBondContact O-N 2.72Å; N242-M246 HydrophobicContact CB-CE 4.17Å; N242-M246 VanDerWaalsContact O-CG 3.31Å; N242-M246 WeakPolarHBondContact O-CG 3.22Å; N242-M246 PolarHBondContact O-N 3.06Å; N242-M246 VanDerWaalsContact O-N 3.08Å
243	Q	98.6	Very high	98	Very high	18 Å²	18	30.3 Å²	30.3	8%	0.084	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-34.9	176.1	-69.5	-174	82.1	0	0	112.5	Y67 R77 I189 G239 D240 F241 M246 E247	Y67-Q243 HydrophobicContact CE1-CB 4.41Å; Y67-Q243 HydrophobicContact CE2-CB 4.12Å; Y67-Q243 VanDerWaalsContact OH-CB 3.28Å; Y67-Q243 WeakPolarHBondContact OH-CB 3.35Å; Y67-Q243 PolarHBondContact OH-OE1 2.75Å; R77-Q243 VanDerWaalsContact CG-OE1 3.26Å; I189-Q243 HydrophobicContact CD1-CG 3.69Å; I189-Q243 HydrophobicContact CG1-CG 4.01Å; G239-Q243 VanDerWaalsContact O-CG 3.29Å; G239-Q243 WeakPolarHBondContact O-CG 3.5Å; G239-Q243 PolarHBondContact O-N 3.46Å; D240-Q243 PolarHBondContact O-N 3.31Å; F241-Q243 VanDerWaalsContact C-N 3.35Å; F241-Q243 PolarHBondContact O-N 2.95Å; Q243-M246 PolarHBondContact O-N 2.75Å; Q243-E247 VanDerWaalsContact O-CB 3.24Å; Q243-E247 WeakPolarHBondContact O-CB 3.47Å; Q243-E247 PolarHBondContact O-N 3.38Å
244	A	98.7	Very high	97.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.9	-42.4	176	0	0	0	0	0	112	L63 Y67 D240 F241 N242 M246 E247 L248	L63-A244 HydrophobicContact CD1-CB 4.09Å; L63-A244 HydrophobicContact CD2-CB 3.99Å; L63-A244 HydrophobicContact CG-CB 3.71Å; Y67-A244 HydrophobicContact CD1-CB 4.18Å; Y67-A244 VanDerWaalsContact CD2-CA 3.45Å; Y67-A244 HydrophobicContact CD2-CB 3.67Å; Y67-A244 HydrophobicContact CE2-CB 4.39Å; Y67-A244 HydrophobicContact CG-CB 3.53Å; D240-A244 VanDerWaalsContact O-CB 3.25Å; D240-A244 WeakPolarHBondContact O-CB 3.44Å; D240-A244 PolarHBondContact O-N 2.71Å; F241-A244 WeakPolarHBondContact O-CB 3.37Å; F241-A244 PolarHBondContact O-N 3.42Å; N242-A244 VanDerWaalsContact C-N 3.3Å; N242-A244 PolarHBondContact O-N 3.2Å; A244-M246 VanDerWaalsContact C-N 3.35Å; A244-M246 PolarHBondContact O-N 2.71Å; A244-E247 PolarHBondContact O-N 2.74Å; A244-L248 VanDerWaalsContact O-CB 3.26Å; A244-L248 WeakPolarHBondContact O-CB 3.26Å; A244-L248 PolarHBondContact O-N 3.45Å
245	M	98.7	Very high	97.6	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-42.5	173.7	-73.4	-67.5	-73.9	0	0	111.8	L63 V202 V205 L206 F241 N242 G249	L63-M245 HydrophobicContact CD2-CG 3.67Å; L63-M245 HydrophobicContact CD2-SD 3.49Å; L63-M245 WeakPolarHBondContact CD2-SD 3.48Å; V202-M245 HydrophobicContact CG1-CE 4.24Å; V202-M245 HydrophobicContact CG2-CB 3.82Å; V205-M245 HydrophobicContact CB-CE 4.3Å; V205-M245 HydrophobicContact CG1-CE 3.58Å; V205-M245 HydrophobicContact CG1-SD 4.22Å; L206-M245 HydrophobicContact CD2-CE 3.66Å; L206-M245 HydrophobicContact CG-CE 4.03Å; F241-M245 HydrophobicContact CD1-CG 4.12Å; F241-M245 HydrophobicContact CE1-CG 3.55Å; F241-M245 HydrophobicContact CE1-SD 4.38Å; F241-M245 HydrophobicContact CZ-CG 3.84Å; F241-M245 HydrophobicContact CZ-SD 4.14Å; F241-M245 PolarHBondContact O-N 3.46Å; N242-M245 PolarHBondContact O-N 2.72Å; M245-G249 PolarHBondContact O-N 3.2Å; M245-G249 VanDerWaalsContact O-N 3.15Å
246	M	98.1	Very high	97.4	Very high	21 Å²	21	39 Å²	39	10%	0.103	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-44.8	175.4	-65.1	173	-152.7	0	0	111.7	Y181 A197 V202 N242 Q243 A244 G249 A250	Y181-M246 HydrophobicContact CE2-CE 3.71Å; Y181-M246 HydrophobicContact CE2-SD 4.33Å; A197-M246 HydrophobicContact CB-CE 3.67Å; V202-M246 HydrophobicContact CG2-CG 3.87Å; N242-M246 HydrophobicContact CB-CE 4.17Å; N242-M246 VanDerWaalsContact O-CG 3.31Å; N242-M246 WeakPolarHBondContact O-CG 3.22Å; N242-M246 PolarHBondContact O-N 3.06Å; N242-M246 VanDerWaalsContact O-N 3.08Å; Q243-M246 PolarHBondContact O-N 2.75Å; A244-M246 VanDerWaalsContact C-N 3.35Å; A244-M246 PolarHBondContact O-N 2.71Å; M246-G249 PolarHBondContact O-N 3.27Å; M246-A250 WeakPolarHBondContact O-CB 3.3Å; M246-A250 PolarHBondContact O-N 3.2Å
247	E	97.8	Very high	97.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-42.1	179	-163.3	79	175.8	0	0	111.4	W66 Y67 R72 R77 Q243 A244 G249 A250 R251	W66-E247 HydrophobicContact CH2-CB 4.04Å; W66-E247 HydrophobicContact CH2-CG 3.85Å; W66-E247 HydrophobicContact CZ3-CB 4.16Å; W66-E247 HydrophobicContact CZ3-CG 4.33Å; Y67-E247 HydrophobicContact CD2-CB 4.14Å; Y67-E247 HydrophobicContact CD2-CG 4.39Å; Y67-E247 HydrophobicContact CE2-CB 4.04Å; Y67-E247 HydrophobicContact CE2-CG 4.3Å; R72-E247 VanDerWaalsContact CG-OE1 3.29Å; R72-E247 WeakPolarHBondContact CG-OE1 3.31Å; R72-E247 IonicContact CZ-OE1 3.01Å; R72-E247 IonicContact CZ-OE2 3.58Å; R72-E247 PolarHBondContact N-OE1 2.9Å; R72-E247 IonicContact NE-OE1 3.86Å; R72-E247 PolarHBondContact NE-OE1 3.06Å; R72-E247 IonicContact NE-OE2 3.24Å; R72-E247 PolarHBondContact NE-OE2 3.44Å; R72-E247 IonicContact NH2-OE1 3.84Å; R72-E247 IonicContact NH2-OE2 3.44Å; R72-E247 PolarHBondContact NH2-OE2 2.97Å; R77-E247 IonicContact CZ-OE2 3.76Å; R77-E247 IonicContact NH1-OE1 2.71Å; R77-E247 IonicContact NH1-OE2 2.67Å; R77-E247 PolarHBondContact NH1-OE2 3.09Å; R77-E247 IonicContact NH2-OE2 3.27Å; R77-E247 PolarHBondContact NH2-OE2 3.05Å; Q243-E247 VanDerWaalsContact O-CB 3.24Å; Q243-E247 WeakPolarHBondContact O-CB 3.47Å; Q243-E247 PolarHBondContact O-N 3.38Å; A244-E247 PolarHBondContact O-N 2.74Å; E247-G249 PolarHBondContact O-N 3.18Å; E247-A250 PolarHBondContact O-N 3.49Å; E247-A250 VanDerWaalsContact O-N 3.17Å; E247-R251 WeakPolarHBondContact O-CB 3.46Å; E247-R251 PolarHBondContact O-N 3.07Å
248	L	98.5	Very high	97.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-58.9	-48.7	176.3	179.2	71.2	0	0	0	110.4	L63 W66 V205 A244 A250 V252 C253 P264 V265	L63-L248 HydrophobicContact CD1-CB 4.23Å; L63-L248 HydrophobicContact CD1-CD2 4.08Å; W66-L248 HydrophobicContact CH2-CB 4.18Å; W66-L248 HydrophobicContact CH2-CD1 4.44Å; W66-L248 HydrophobicContact CZ3-CB 3.97Å; W66-L248 HydrophobicContact CZ3-CD1 4.43Å; V205-L248 HydrophobicContact CG1-CD2 3.85Å; V205-L248 HydrophobicContact CG2-CD2 4.26Å; V205-L248 HydrophobicContact CG2-CG 4.38Å; A244-L248 VanDerWaalsContact O-CB 3.26Å; A244-L248 WeakPolarHBondContact O-CB 3.26Å; A244-L248 PolarHBondContact O-N 3.45Å; L248-A250 VanDerWaalsContact C-N 3.33Å; L248-A250 PolarHBondContact O-N 3.4Å; L248-V252 HydrophobicContact CD1-CB 3.82Å; L248-V252 HydrophobicContact CD1-CG1 4.14Å; L248-V252 HydrophobicContact CD1-CG2 4.16Å; L248-V252 PolarHBondContact O-N 3.17Å; L248-C253 HydrophobicContact CG-CB 4.42Å; L248-C253 PolarHBondContact O-N 3.02Å; L248-P264 HydrophobicContact CD1-CG 3.93Å; L248-V265 HydrophobicContact CD2-CG2 3.66Å
249	G	97.7	Very high	97	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-41.8	175.2	0	0	0	0	0	112	R204 M245 M246 E247 R251 C253	R204-G249 PolarHBondContact NH2-O 3.03Å; M245-G249 PolarHBondContact O-N 3.2Å; M245-G249 VanDerWaalsContact O-N 3.15Å; M246-G249 PolarHBondContact O-N 3.27Å; E247-G249 PolarHBondContact O-N 3.18Å; G249-R251 PolarHBondContact O-N 3.11Å; G249-C253 CarbonylContact O-C 3.53Å; G249-C253 VanDerWaalsContact O-O 3.07Å
250	A	95.8	Very high	96.9	Very high	42 Å²	42	34.6 Å²	34.6	35%	0.347	19%	0.193	S	C	.	.	H	α-helix	trans	-68.1	-34.3	-177.6	0	0	0	0	0	113.8	M246 E247 L248	M246-A250 WeakPolarHBondContact O-CB 3.3Å; M246-A250 PolarHBondContact O-N 3.2Å; E247-A250 PolarHBondContact O-N 3.49Å; E247-A250 VanDerWaalsContact O-N 3.17Å; L248-A250 VanDerWaalsContact C-N 3.33Å; L248-A250 PolarHBondContact O-N 3.4Å
251	R	96.2	Very high	96.7	Very high	121 Å²	121	37.9 Å²	37.9	46%	0.457	22%	0.218	S	C	.	.	H	α-helix	trans	-112.8	-31.1	-169.1	-65.3	-165.2	64	153.4	0.9	115.7	R72 E247 G249	R72-R251 VanDerWaalsContact CG-NH1 3.3Å; E247-R251 WeakPolarHBondContact O-CB 3.46Å; E247-R251 PolarHBondContact O-N 3.07Å; G249-R251 PolarHBondContact O-N 3.11Å
252	V	98	Very high	96.5	Very high	10 Å²	10	43.8 Å²	43.8	6%	0.061	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-59.1	-170.6	-179.3	0	0	0	0	110	W66 L248 T254 P258 L259 C263	W66-V252 HydrophobicContact CH2-CG2 4.41Å; W66-V252 HydrophobicContact CZ2-CG2 3.72Å; L248-V252 HydrophobicContact CD1-CB 3.82Å; L248-V252 HydrophobicContact CD1-CG1 4.14Å; L248-V252 HydrophobicContact CD1-CG2 4.16Å; L248-V252 PolarHBondContact O-N 3.17Å; V252-T254 PolarHBondContact O-N 3.49Å; V252-P258 CarbonylContact O-C 3.46Å; V252-P258 VanDerWaalsContact O-CA 3.3Å; V252-P258 WeakPolarHBondContact O-CA 3.44Å; V252-L259 HydrophobicContact CG1-CB 4.2Å; V252-L259 WeakPolarHBondContact CG1-O 3.27Å; V252-L259 PolarHBondContact O-N 3.3Å; V252-C263 HydrophobicContact CG1-CB 3.9Å
253	C	97.9	Very high	96.5	Very high	17 Å²	17	44.9 Å²	44.9	12%	0.115	25%	0.253	C	S	.	.	S	Bend	trans	-85.1	58.8	179.2	-166.6	0	0	0	0	109.9	R204 V205 R208 L248 G249	R204-C253 PolarHBondContact NE-O 3.4Å; R204-C253 PolarHBondContact NH2-O 2.85Å; V205-C253 HydrophobicContact CG2-CB 3.9Å; R208-C253 WeakPolarHBondContact CD-SG 3.42Å; R208-C253 PolarHBondContact NH1-O 2.75Å; R208-C253 PolarHBondContact NH1-SG 3.19Å; L248-C253 HydrophobicContact CG-CB 4.42Å; L248-C253 PolarHBondContact O-N 3.02Å; G249-C253 CarbonylContact O-C 3.53Å; G249-C253 VanDerWaalsContact O-O 3.07Å
254	T	96.4	Very high	96.5	Very high	27 Å²	27	45.2 Å²	45.2	17%	0.166	26%	0.257	C	S	.	.			trans	-73.2	162.6	-174.1	56	0	0	0	0	112.7	R208 V252 K256 G257 P258	R208-T254 PolarHBondContact NH1-O 2.93Å; R208-T254 PolarHBondContact NH2-O 2.88Å; R208-T254 VanDerWaalsContact NH2-O 3.07Å; V252-T254 PolarHBondContact O-N 3.49Å; T254-K256 VanDerWaalsContact C-N 3.33Å; T254-K256 PolarHBondContact O-N 2.73Å; T254-K256 PolarHBondContact OG1-O 2.77Å; T254-G257 PolarHBondContact OG1-O 2.78Å; T254-P258 WeakPolarHBondContact OG1-CA 3.2Å
255	P	93.6	Very high	96.4	Very high	70 Å²	70	45.3 Å²	45.3	46%	0.455	26%	0.258	S	S	.	.	S	Bend	trans	-60	-40.2	177.9	-25.9	35.7	0	0	0	113.8	R208	R208-P255 PolarHBondContact NH2-O 2.85Å
256	K	92.2	Very high	96.3	Very high	182 Å²	182	47.7 Å²	47.7	79%	0.791	27%	0.269	S	S	*	.	S	Bend	trans	-122.7	135.2	177.7	-67.5	-171.3	176.4	-170.5	0	109.9	T254 Q319	T254-K256 VanDerWaalsContact C-N 3.33Å; T254-K256 PolarHBondContact O-N 2.73Å; T254-K256 PolarHBondContact OG1-O 2.77Å; K256-Q319 VanDerWaalsContact CA-OE1 3.3Å
257	G	92.2	Very high	96.1	Very high	50 Å²	50	51.3 Å²	51.3	52%	0.515	30%	0.296	S	S	.	.	S	Bend	trans	57.3	58.7	178.5	0	0	0	0	0	113.9	T254	T254-G257 PolarHBondContact OG1-O 2.78Å
258	P	96.5	Very high	96	Very high	22 Å²	22	52.3 Å²	52.3	14%	0.143	30%	0.301	C	S	.	.			trans	-65.2	140.4	177.7	27.8	-32.8	0	0	0	111.7	V252 T254 C260 V318 Q319	V252-P258 CarbonylContact O-C 3.46Å; V252-P258 VanDerWaalsContact O-CA 3.3Å; V252-P258 WeakPolarHBondContact O-CA 3.44Å; T254-P258 WeakPolarHBondContact OG1-CA 3.2Å; P258-C260 PolarHBondContact O-N 2.86Å; P258-V318 HydrophobicContact CB-CG2 4.46Å; P258-V318 HydrophobicContact CG-CG2 3.38Å; P258-Q319 HydrophobicContact CG-CG 4.34Å
259	L	96.8	Very high	95.9	Very high	74 Å²	74	53 Å²	53	39%	0.387	31%	0.305	S	S	.	.			trans	-84.4	61.2	-177.9	-57.4	177.6	0	0	0	111	V252 S261 Q262 C263	V252-L259 HydrophobicContact CG1-CB 4.2Å; V252-L259 WeakPolarHBondContact CG1-O 3.27Å; V252-L259 PolarHBondContact O-N 3.3Å; L259-S261 PolarHBondContact O-N 3.07Å; L259-Q262 HydrophobicContact CB-CB 4.37Å; L259-Q262 PolarHBondContact O-N 2.88Å; L259-C263 PolarHBondContact O-N 2.84Å
260	C	96.2	Very high	95.7	Very high	30 Å²	30	55.8 Å²	55.8	20%	0.203	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-56.8	-36	-172.9	-65.3	0	0	0	0	113.2	P258 Q262 C263 Q266 Y272	P258-C260 PolarHBondContact O-N 2.86Å; C260-Q262 PolarHBondContact O-N 2.89Å; C260-C263 VanDerWaalsContact O-CB 3.25Å; C260-C263 WeakPolarHBondContact O-CB 3.45Å; C260-C263 PolarHBondContact O-N 3.4Å; C260-C263 VanDerWaalsContact O-N 3.1Å; C260-Q266 PolarHBondContact O-NE2 3.01Å; C260-Y272 HydrophobicContact CB-CD2 3.56Å; C260-Y272 HydrophobicContact CB-CE2 3.57Å
261	S	93.6	Very high	95.6	Very high	99 Å²	99	53.8 Å²	53.8	69%	0.692	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-63.1	-22.1	177.2	53.8	0	0	0	0	114.2	L259	L259-S261 PolarHBondContact O-N 3.07Å
262	Q	95.4	Very high	95.4	Very high	127 Å²	127	50.3 Å²	50.3	59%	0.593	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-104.3	4.8	178.3	-58.3	177	25.7	0	0	112	L259 C260	L259-Q262 HydrophobicContact CB-CB 4.37Å; L259-Q262 PolarHBondContact O-N 2.88Å; C260-Q262 PolarHBondContact O-N 2.89Å
263	C	97.8	Very high	95.1	Very high	25 Å²	25	54.7 Å²	54.7	17%	0.169	31%	0.306	C	S	.	.			trans	-76.4	121.9	-175.2	-176	0	0	0	0	111.1	V252 L259 C260 V265 Q266	V252-C263 HydrophobicContact CG1-CB 3.9Å; L259-C263 PolarHBondContact O-N 2.84Å; C260-C263 VanDerWaalsContact O-CB 3.25Å; C260-C263 WeakPolarHBondContact O-CB 3.45Å; C260-C263 PolarHBondContact O-N 3.4Å; C260-C263 VanDerWaalsContact O-N 3.1Å; C263-V265 PolarHBondContact O-N 3.19Å; C263-V265 VanDerWaalsContact O-N 3.15Å; C263-Q266 HydrophobicContact CB-CB 4.12Å; C263-Q266 VanDerWaalsContact O-CB 3.32Å; C263-Q266 WeakPolarHBondContact O-CB 3.44Å; C263-Q266 PolarHBondContact O-N 3.25Å; C263-Q266 VanDerWaalsContact O-N 3.16Å
264	P	97.9	Very high	94.6	Very high	26 Å²	26	55.1 Å²	55.1	17%	0.169	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.7	-177.6	29.5	-38.6	0	0	0	113.2	H62 L63 W66 L248	H62-P264 WeakPolarHBondContact CB-O 3.26Å; L63-P264 HydrophobicContact CD1-CG 4.48Å; W66-P264 HydrophobicContact CB-CB 3.6Å; W66-P264 HydrophobicContact CB-CG 3.8Å; W66-P264 HydrophobicContact CD2-CG 3.81Å; W66-P264 HydrophobicContact CE3-CG 4.16Å; W66-P264 HydrophobicContact CG-CB 3.87Å; W66-P264 HydrophobicContact CG-CG 3.63Å; L248-P264 HydrophobicContact CD1-CG 3.93Å
265	V	97.5	Very high	94	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	23.5	-179.3	-61.5	0	0	0	0	111.8	L59 L63 L209 L248 C263 S267 H268	L59-V265 HydrophobicContact CD2-CG1 4.44Å; L59-V265 HydrophobicContact CG-CB 4.48Å; L59-V265 HydrophobicContact CG-CG1 3.94Å; L63-V265 HydrophobicContact CB-CG1 4.05Å; L209-V265 HydrophobicContact CD2-CG2 4.07Å; L248-V265 HydrophobicContact CD2-CG2 3.66Å; C263-V265 PolarHBondContact O-N 3.19Å; C263-V265 VanDerWaalsContact O-N 3.15Å; V265-S267 VanDerWaalsContact C-N 3.31Å; V265-S267 PolarHBondContact O-N 3.16Å; V265-H268 PolarHBondContact O-N 3.17Å; V265-H268 VanDerWaalsContact O-N 3.15Å
266	Q	96.6	Very high	93.6	Very high	55 Å²	55	54.4 Å²	54.4	26%	0.257	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-55.3	-44.5	-178.6	-175.7	-163.3	87.8	0	0	112.3	C260 C263 H268 C269 Y272	C260-Q266 PolarHBondContact O-NE2 3.01Å; C263-Q266 HydrophobicContact CB-CB 4.12Å; C263-Q266 VanDerWaalsContact O-CB 3.32Å; C263-Q266 WeakPolarHBondContact O-CB 3.44Å; C263-Q266 PolarHBondContact O-N 3.25Å; C263-Q266 VanDerWaalsContact O-N 3.16Å; Q266-H268 PolarHBondContact O-N 2.72Å; Q266-H268 VanDerWaalsContact O-N 3.15Å; Q266-C269 VanDerWaalsContact O-CB 3.22Å; Q266-C269 WeakPolarHBondContact O-CB 3.25Å; Q266-C269 PolarHBondContact O-N 3.24Å; Q266-Y272 HydrophobicContact CG-CD1 3.55Å; Q266-Y272 HydrophobicContact CG-CD2 4.3Å; Q266-Y272 HydrophobicContact CG-CE1 3.44Å; Q266-Y272 VanDerWaalsContact CG-CE1 3.44Å; Q266-Y272 HydrophobicContact CG-CE2 4.19Å; Q266-Y272 HydrophobicContact CG-CG 3.97Å; Q266-Y272 PolarHBondContact NE2-OH 3.05Å
267	S	94.4	Very high	92.9	Very high	97 Å²	97	47.6 Å²	47.6	68%	0.678	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-59.7	-24.2	-179.5	51.5	0	0	0	0	113.6	V265	V265-S267 VanDerWaalsContact C-N 3.31Å; V265-S267 PolarHBondContact O-N 3.16Å
268	H	95.1	Very high	92	Very high	21 Å²	21	47.9 Å²	47.9	10%	0.097	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-91.1	-3.9	178.1	-57.5	-77.7	0	0	0	113.1	E55 L59 L209 R210 V265 Q266 R270	E55-H268 VanDerWaalsContact CG-ND1 3.29Å; E55-H268 WeakPolarHBondContact CG-ND1 3.45Å; E55-H268 IonicContact OE1-ND1 2.75Å; L59-H268 HydrophobicContact CD1-CB 4.19Å; L209-H268 HydrophobicContact CD2-CB 4.36Å; R210-H268 PolarHBondContact NH1-O 3.47Å; V265-H268 PolarHBondContact O-N 3.17Å; V265-H268 VanDerWaalsContact O-N 3.15Å; Q266-H268 PolarHBondContact O-N 2.72Å; Q266-H268 VanDerWaalsContact O-N 3.15Å; H268-R270 PolarHBondContact O-N 3.48Å
269	C	96.3	Very high	90.9	Very high	16 Å²	16	52.4 Å²	52.4	11%	0.108	28%	0.275	C	S	.	.			trans	-90.1	102.5	-168.9	-172.9	0	0	0	0	112.4	R208 L209 Q266 S271 Y272 H273	R208-C269 PolarHBondContact O-SG 2.78Å; L209-C269 HydrophobicContact CD2-CB 3.93Å; Q266-C269 VanDerWaalsContact O-CB 3.22Å; Q266-C269 WeakPolarHBondContact O-CB 3.25Å; Q266-C269 PolarHBondContact O-N 3.24Å; C269-S271 VanDerWaalsContact C-N 3.32Å; C269-S271 PolarHBondContact O-N 3.03Å; C269-Y272 WeakPolarHBondContact O-CB 3.35Å; C269-Y272 PolarHBondContact O-N 3.47Å; C269-Y272 VanDerWaalsContact O-N 3.11Å; C269-H273 PolarHBondContact O-N 3.28Å
270	R	93.6	Very high	89.8	Confident	59 Å²	59	53.3 Å²	53.3	22%	0.223	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-38.5	179.3	-66.5	-175.5	-175.2	-127.5	13.6	112.9	L46 Y47 T49 L209 A211 H268 Y272 H273 R274	L46-R270 PolarHBondContact O-NH2 3.44Å; Y47-R270 VanDerWaalsContact CA-NH1 3.29Å; Y47-R270 WeakPolarHBondContact O-CD 2.87Å; Y47-R270 PolarHBondContact O-NE 3.27Å; Y47-R270 PolarHBondContact O-NH1 3.11Å; Y47-R270 PolarHBondContact O-NH2 3.38Å; T49-R270 PolarHBondContact O-NH2 2.87Å; L209-R270 WeakPolarHBondContact O-CB 3.49Å; L209-R270 WeakPolarHBondContact O-CG 3.32Å; L209-R270 PolarHBondContact O-N 3.32Å; A211-R270 HydrophobicContact CB-CB 4.12Å; H268-R270 PolarHBondContact O-N 3.48Å; R270-Y272 VanDerWaalsContact C-N 3.31Å; R270-Y272 PolarHBondContact O-N 3.4Å; R270-H273 PolarHBondContact O-N 2.89Å; R270-R274 WeakPolarHBondContact O-CB 3.3Å; R270-R274 PolarHBondContact O-N 2.73Å
271	S	92.9	Very high	88.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.7	-37.4	175.9	-61.7	0	0	0	0	112.5	R208 C269 V275 F321	R208-S271 WeakPolarHBondContact CA-OG 3.38Å; R208-S271 WeakPolarHBondContact O-CB 3.47Å; R208-S271 PolarHBondContact O-N 2.93Å; R208-S271 VanDerWaalsContact O-N 3.08Å; R208-S271 PolarHBondContact O-OG 2.95Å; C269-S271 VanDerWaalsContact C-N 3.32Å; C269-S271 PolarHBondContact O-N 3.03Å; S271-V275 VanDerWaalsContact O-CG2 3.32Å; S271-V275 WeakPolarHBondContact O-CG2 3.11Å; S271-V275 PolarHBondContact O-N 3.17Å; S271-F321 WeakPolarHBondContact OG-CD2 3.45Å; S271-F321 VanDerWaalsContact OG-CE2 3.26Å; S271-F321 WeakPolarHBondContact OG-CE2 3.22Å
272	Y	93.5	Very high	87	Confident	48 Å²	48	54.9 Å²	54.9	19%	0.188	28%	0.28	C	S	.	.	H	α-helix	trans	-68.6	-47.7	176.9	178.2	-98.1	0	0	0	111.2	C260 Q266 C269 R270 R274 V275 H276	C260-Y272 HydrophobicContact CB-CD2 3.56Å; C260-Y272 HydrophobicContact CB-CE2 3.57Å; Q266-Y272 HydrophobicContact CG-CD1 3.55Å; Q266-Y272 HydrophobicContact CG-CD2 4.3Å; Q266-Y272 HydrophobicContact CG-CE1 3.44Å; Q266-Y272 VanDerWaalsContact CG-CE1 3.44Å; Q266-Y272 HydrophobicContact CG-CE2 4.19Å; Q266-Y272 HydrophobicContact CG-CG 3.97Å; Q266-Y272 PolarHBondContact NE2-OH 3.05Å; C269-Y272 WeakPolarHBondContact O-CB 3.35Å; C269-Y272 PolarHBondContact O-N 3.47Å; C269-Y272 VanDerWaalsContact O-N 3.11Å; R270-Y272 VanDerWaalsContact C-N 3.31Å; R270-Y272 PolarHBondContact O-N 3.4Å; Y272-R274 VanDerWaalsContact C-N 3.26Å; Y272-R274 PolarHBondContact O-N 2.89Å; Y272-V275 PolarHBondContact O-N 3.14Å; Y272-V275 VanDerWaalsContact O-N 3.11Å; Y272-H276 AromaticContact CD1-CD2 3.84Å; Y272-H276 AromaticContact CD2-CD2 3.81Å; Y272-H276 AromaticContact CE1-CD2 3.39Å; Y272-H276 WeakPolarHBondContact CE1-CD2 3.49Å; Y272-H276 AromaticContact CE1-NE2 3.71Å; Y272-H276 AromaticContact CE2-CD2 3.38Å; Y272-H276 WeakPolarHBondContact CE2-CD2 3.29Å; Y272-H276 AromaticContact CE2-NE2 3.19Å; Y272-H276 WeakPolarHBondContact CE2-NE2 3.28Å; Y272-H276 AromaticContact CZ-CD2 3.17Å; Y272-H276 AromaticContact CZ-CE1 3.95Å; Y272-H276 AromaticContact CZ-NE2 2.99Å; Y272-H276 PolarHBondContact O-N 2.86Å; Y272-H276 PolarHBondContact OH-NE2 3.3Å
273	H	90.6	Very high	85.5	Confident	101 Å²	101	52 Å²	52	47%	0.468	28%	0.279	S	S	.	.	H	α-helix	trans	-55.1	-43.6	176.1	-174.1	-90.6	0	0	0	111.3	C269 R270 V275 H276 V277	C269-H273 PolarHBondContact O-N 3.28Å; R270-H273 PolarHBondContact O-N 2.89Å; H273-V275 PolarHBondContact O-N 3.49Å; H273-H276 PolarHBondContact O-N 2.9Å; H273-V277 WeakPolarHBondContact CE1-CG2 3.19Å; H273-V277 WeakPolarHBondContact O-CB 3.21Å; H273-V277 WeakPolarHBondContact O-CG2 3.43Å; H273-V277 PolarHBondContact O-N 2.86Å
274	R	86.5	Confident	83.6	Confident	26 Å²	26	54.5 Å²	54.5	10%	0.098	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-45.9	176.3	-171.7	-171.6	-171.5	126.8	9.3	113.2	R270 Y272 H276 V277 K278 I295	R270-R274 WeakPolarHBondContact O-CB 3.3Å; R270-R274 PolarHBondContact O-N 2.73Å; Y272-R274 VanDerWaalsContact C-N 3.26Å; Y272-R274 PolarHBondContact O-N 2.89Å; R274-H276 VanDerWaalsContact C-N 3.3Å; R274-H276 PolarHBondContact O-N 3.35Å; R274-V277 PolarHBondContact O-N 2.79Å; R274-K278 WeakPolarHBondContact O-CB 3.39Å; R274-K278 PolarHBondContact O-N 2.95Å; R274-I295 VanDerWaalsContact CZ-CG2 3.45Å; R274-I295 VanDerWaalsContact NH1-CB 3.26Å; R274-I295 VanDerWaalsContact NH1-CD1 3.25Å
275	V	85.8	Confident	81.4	Confident	19 Å²	19	61.3 Å²	61.3	12%	0.115	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-44	178.6	173.2	0	0	0	0	110.3	S271 Y272 H273 K278 Q279 W312 G317 V318	S271-V275 VanDerWaalsContact O-CG2 3.32Å; S271-V275 WeakPolarHBondContact O-CG2 3.11Å; S271-V275 PolarHBondContact O-N 3.17Å; Y272-V275 PolarHBondContact O-N 3.14Å; Y272-V275 VanDerWaalsContact O-N 3.11Å; H273-V275 PolarHBondContact O-N 3.49Å; V275-K278 PolarHBondContact O-N 3.34Å; V275-Q279 WeakPolarHBondContact O-CG 3.45Å; V275-Q279 PolarHBondContact O-N 2.82Å; V275-W312 HydrophobicContact CG2-CH2 3.85Å; V275-W312 HydrophobicContact CG2-CZ2 3.76Å; V275-G317 VanDerWaalsContact CG2-C 3.42Å; V275-V318 HydrophobicContact CG2-CG1 3.88Å
276	H	83.2	Confident	79.3	Confident	63 Å²	63	68.6 Å²	68.6	29%	0.292	35%	0.354	S	S	.	.	H	α-helix	trans	-65.9	-46.5	178.8	-91	-84.1	0	0	0	112.8	Y272 H273 R274 K278 Q279 E280	Y272-H276 AromaticContact CD1-CD2 3.84Å; Y272-H276 AromaticContact CD2-CD2 3.81Å; Y272-H276 AromaticContact CE1-CD2 3.39Å; Y272-H276 WeakPolarHBondContact CE1-CD2 3.49Å; Y272-H276 AromaticContact CE1-NE2 3.71Å; Y272-H276 AromaticContact CE2-CD2 3.38Å; Y272-H276 WeakPolarHBondContact CE2-CD2 3.29Å; Y272-H276 AromaticContact CE2-NE2 3.19Å; Y272-H276 WeakPolarHBondContact CE2-NE2 3.28Å; Y272-H276 AromaticContact CZ-CD2 3.17Å; Y272-H276 AromaticContact CZ-CE1 3.95Å; Y272-H276 AromaticContact CZ-NE2 2.99Å; Y272-H276 PolarHBondContact O-N 2.86Å; Y272-H276 PolarHBondContact OH-NE2 3.3Å; H273-H276 PolarHBondContact O-N 2.9Å; R274-H276 VanDerWaalsContact C-N 3.3Å; R274-H276 PolarHBondContact O-N 3.35Å; H276-K278 VanDerWaalsContact C-N 3.29Å; H276-K278 PolarHBondContact O-N 2.96Å; H276-Q279 PolarHBondContact O-N 3.19Å; H276-E280 WeakPolarHBondContact O-CB 3.22Å; H276-E280 WeakPolarHBondContact O-CG 3.35Å; H276-E280 PolarHBondContact O-N 3.03Å
277	V	77.8	Confident	76.8	Confident	39 Å²	39	73.3 Å²	73.3	24%	0.236	38%	0.38	C	S	.	.	H	α-helix	trans	-58.4	-43.1	176	169.5	0	0	0	0	110.7	H273 R274 E280 Q281	H273-V277 WeakPolarHBondContact CE1-CG2 3.19Å; H273-V277 WeakPolarHBondContact O-CB 3.21Å; H273-V277 WeakPolarHBondContact O-CG2 3.43Å; H273-V277 PolarHBondContact O-N 2.86Å; R274-V277 PolarHBondContact O-N 2.79Å; V277-E280 PolarHBondContact O-N 2.94Å; V277-Q281 HydrophobicContact CG1-CG 4.2Å; V277-Q281 VanDerWaalsContact O-CB 3.28Å; V277-Q281 WeakPolarHBondContact O-CB 3.29Å; V277-Q281 WeakPolarHBondContact O-CG 3.33Å; V277-Q281 PolarHBondContact O-N 3.44Å
278	K	73.4	Confident	74.5	Confident	57 Å²	57	71.7 Å²	71.7	25%	0.248	38%	0.378	C	S	.	.	H	α-helix	trans	-64.8	-42.9	176	-82.6	-169.9	150.3	-156	0	113	R274 V275 H276 E280 Q281 S282 D314	R274-K278 WeakPolarHBondContact O-CB 3.39Å; R274-K278 PolarHBondContact O-N 2.95Å; V275-K278 PolarHBondContact O-N 3.34Å; H276-K278 VanDerWaalsContact C-N 3.29Å; H276-K278 PolarHBondContact O-N 2.96Å; K278-E280 VanDerWaalsContact C-N 3.34Å; K278-Q281 PolarHBondContact O-N 2.77Å; K278-S282 WeakPolarHBondContact O-CB 3.41Å; K278-S282 PolarHBondContact O-N 3.3Å; K278-S282 PolarHBondContact O-OG 3.39Å; K278-S282 VanDerWaalsContact O-OG 3.11Å; K278-D314 IonicContact NZ-OD1 2.91Å; K278-D314 PolarHBondContact NZ-OD1 3.46Å; K278-D314 IonicContact NZ-OD2 2.92Å
279	Q	73.6	Confident	72	Confident	117 Å²	117	80.4 Å²	80.4	55%	0.547	42%	0.416	S	S	.	.	H	α-helix	trans	-62.9	-41.9	175.6	-75	175.8	-6.3	0	0	111.7	V275 H276 A283	V275-Q279 WeakPolarHBondContact O-CG 3.45Å; V275-Q279 PolarHBondContact O-N 2.82Å; H276-Q279 PolarHBondContact O-N 3.19Å; Q279-A283 WeakPolarHBondContact O-CB 3.39Å; Q279-A283 PolarHBondContact O-N 3.48Å
280	E	73.1	Confident	69.4	Low	93 Å²	93	85.5 Å²	85.5	44%	0.435	44%	0.441	S	S	.	.	H	α-helix	trans	-66.2	-38.8	174.1	-76.5	-172.3	-154.8	0	0	112.2	H276 V277 K278 A283 K284	H276-E280 WeakPolarHBondContact O-CB 3.22Å; H276-E280 WeakPolarHBondContact O-CG 3.35Å; H276-E280 PolarHBondContact O-N 3.03Å; V277-E280 PolarHBondContact O-N 2.94Å; K278-E280 VanDerWaalsContact C-N 3.34Å; E280-A283 CarbonylContact O-C 3.55Å; E280-A283 PolarHBondContact O-N 3.19Å; E280-K284 WeakPolarHBondContact O-CA 3.39Å; E280-K284 WeakPolarHBondContact O-CB 3.41Å; E280-K284 WeakPolarHBondContact O-CG 3.46Å; E280-K284 PolarHBondContact O-N 3.34Å; E280-K284 IonicContact OE2-NZ 3.95Å; E280-K284 PolarHBondContact OE2-NZ 3.48Å
281	Q	68.8	Low	66.9	Low	76 Å²	76	90.5 Å²	90.5	36%	0.355	47%	0.473	S	S	.	.	H	α-helix	trans	-67	-43.9	175.4	-78.2	171.4	-10.8	0	0	111.1	V277 K278 A283 K284 E285	V277-Q281 HydrophobicContact CG1-CG 4.2Å; V277-Q281 VanDerWaalsContact O-CB 3.28Å; V277-Q281 WeakPolarHBondContact O-CB 3.29Å; V277-Q281 WeakPolarHBondContact O-CG 3.33Å; V277-Q281 PolarHBondContact O-N 3.44Å; K278-Q281 PolarHBondContact O-N 2.77Å; Q281-A283 PolarHBondContact O-N 3.08Å; Q281-K284 CarbonylContact O-C 3.49Å; Q281-K284 VanDerWaalsContact O-C 3.29Å; Q281-K284 PolarHBondContact O-N 3.42Å; Q281-K284 VanDerWaalsContact O-N 3.08Å; Q281-E285 WeakPolarHBondContact O-CG 3.39Å; Q281-E285 PolarHBondContact O-N 3.39Å
282	S	63.1	Low	64.7	Low	86 Å²	86	96.5 Å²	96.5	60%	0.601	50%	0.502	S	S	*	.	H	α-helix	trans	-62.6	-30	172.3	-61.1	0	0	0	0	112.3	K278	K278-S282 WeakPolarHBondContact O-CB 3.41Å; K278-S282 PolarHBondContact O-N 3.3Å; K278-S282 PolarHBondContact O-OG 3.39Å; K278-S282 VanDerWaalsContact O-OG 3.11Å
283	A	63.2	Low	62.7	Low	67 Å²	67	98.8 Å²	98.8	55%	0.554	52%	0.523	S	S	*	.	H	α-helix	trans	-78	-31.7	171.5	0	0	0	0	0	113.2	Q279 E280 Q281	Q279-A283 WeakPolarHBondContact O-CB 3.39Å; Q279-A283 PolarHBondContact O-N 3.48Å; E280-A283 CarbonylContact O-C 3.55Å; E280-A283 PolarHBondContact O-N 3.19Å; Q281-A283 PolarHBondContact O-N 3.08Å
284	K	58.5	Low	61	Low	76 Å²	76	96.7 Å²	96.7	33%	0.33	52%	0.515	S	S	.	.	H	α-helix	trans	-95.4	1.9	-179.8	-73	170.6	178.6	160.1	0	113.7	E280 Q281 L286 L287 G288	E280-K284 WeakPolarHBondContact O-CA 3.39Å; E280-K284 WeakPolarHBondContact O-CB 3.41Å; E280-K284 WeakPolarHBondContact O-CG 3.46Å; E280-K284 PolarHBondContact O-N 3.34Å; E280-K284 IonicContact OE2-NZ 3.95Å; E280-K284 PolarHBondContact OE2-NZ 3.48Å; Q281-K284 CarbonylContact O-C 3.49Å; Q281-K284 VanDerWaalsContact O-C 3.29Å; Q281-K284 PolarHBondContact O-N 3.42Å; Q281-K284 VanDerWaalsContact O-N 3.08Å; K284-L286 PolarHBondContact O-N 2.83Å; K284-L287 CarbonylContact O-C 3.1Å; K284-L287 WeakPolarHBondContact O-CA 3.41Å; K284-L287 PolarHBondContact O-N 3.47Å; K284-G288 PolarHBondContact O-N 2.82Å
285	E	52.8	Low	59.8	Low	170 Å²	170	95.4 Å²	95.4	79%	0.794	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-5.1	163.7	-88.6	178.3	157.2	0	0	111.1	Q281	Q281-E285 WeakPolarHBondContact O-CG 3.39Å; Q281-E285 PolarHBondContact O-N 3.39Å
286	L	51.9	Low	58.4	Low	154 Å²	154	99.5 Å²	99.5	81%	0.806	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.5	161.1	-81.1	153.1	0	0	0	115	K284	K284-L286 PolarHBondContact O-N 2.83Å
287	L	44.9	Very low	57.3	Low	155 Å²	155	101.6 Å²	101.6	81%	0.812	54%	0.541	S	S	*	.	S	Bend	trans	-155.8	72.8	-174.9	-73.3	168.7	0	0	0	113.7	K284	K284-L287 CarbonylContact O-C 3.1Å; K284-L287 WeakPolarHBondContact O-CA 3.41Å; K284-L287 PolarHBondContact O-N 3.47Å
288	G	44.9	Very low	56.8	Low	62 Å²	62	100.4 Å²	100.4	64%	0.639	54%	0.535	S	S	*	.			trans	72.8	141.7	154.2	0	0	0	0	0	120.2	K284	K284-G288 PolarHBondContact O-N 2.82Å
289	K	43.3	Very low	56.1	Low	205 Å²	205	101 Å²	101	89%	0.891	54%	0.539	S	S	*	.			trans	-78.2	144.7	-175.2	-76	-177	175.7	-176.4	0	114.3
290	L	42.6	Very low	55.3	Low	122 Å²	122	101.3 Å²	101.3	64%	0.639	55%	0.545	S	S	*	.			trans	-110.1	132.9	165.5	-74.7	164.3	0	0	0	109.5
291	D	40.2	Very low	54.8	Low	165 Å²	165	99.7 Å²	99.7	88%	0.882	54%	0.544	S	S	*	.			trans	-84.9	125.7	176.1	-89	-24.2	0	0	0	111.4
292	M	48.1	Very low	54.4	Low	126 Å²	126	99.4 Å²	99.4	62%	0.621	56%	0.561	S	S	*	*			trans	-139.6	147.1	165.3	-88.7	-69	-74.2	0	0	108.3	D294	M292-D294 PolarHBondContact O-N 3.33Å
293	P	49.4	Very low	55	Low	95 Å²	95	100.2 Å²	100.2	62%	0.617	56%	0.563	S	S	*	*			trans	-63.8	103.3	176.9	24.5	-31.5	0	0	0	109.4
294	D	56.8	Low	56	Low	57 Å²	57	98.5 Å²	98.5	31%	0.305	55%	0.546	S	S	.	.			trans	-80.8	160.8	-173	-161.4	-19.5	0	0	0	109.5	M292 E296 D297	M292-D294 PolarHBondContact O-N 3.33Å; D294-E296 HydrophobicContact CB-CB 3.95Å; D294-E296 HydrophobicContact CB-CG 4.11Å; D294-E296 PolarHBondContact O-N 3.48Å; D294-E296 WeakPolarHBondContact OD2-CG 3.32Å; D294-D297 PolarHBondContact O-N 2.77Å; D294-D297 VanDerWaalsContact O-N 3.14Å
295	I	59.5	Low	57.3	Low	0 Å²	0	98.5 Å²	98.5	0%	0	56%	0.556	C	S	.	*	H	α-helix	trans	-47.8	-27.8	161.1	-147.3	162.9	0	0	0	110.6	Y47 A211 R274 D297 C298 M299	Y47-I295 HydrophobicContact CD1-CG1 4.35Å; Y47-I295 HydrophobicContact CE1-CB 4.37Å; Y47-I295 HydrophobicContact CE1-CD1 3.94Å; Y47-I295 HydrophobicContact CE1-CG1 3.74Å; A211-I295 HydrophobicContact CB-CD1 4.46Å; R274-I295 VanDerWaalsContact CZ-CG2 3.45Å; R274-I295 VanDerWaalsContact NH1-CB 3.26Å; R274-I295 VanDerWaalsContact NH1-CD1 3.25Å; I295-D297 PolarHBondContact O-N 3.47Å; I295-C298 CarbonylContact O-C 3.5Å; I295-C298 WeakPolarHBondContact O-CA 3.44Å; I295-C298 WeakPolarHBondContact O-CB 3.37Å; I295-C298 PolarHBondContact O-N 2.85Å; I295-M299 HydrophobicContact CD1-SD 4.46Å; I295-M299 HydrophobicContact CG1-CG 4.18Å; I295-M299 HydrophobicContact CG1-SD 4.28Å; I295-M299 HydrophobicContact CG2-CG 4.1Å; I295-M299 HydrophobicContact CG2-SD 3.53Å; I295-M299 VanDerWaalsContact CG2-SD 3.53Å; I295-M299 WeakPolarHBondContact O-CG 3.32Å; I295-M299 PolarHBondContact O-N 2.76Å
296	E	56.6	Low	59.1	Low	104 Å²	104	91.1 Å²	91.1	49%	0.486	52%	0.521	S	S	.	.	H	α-helix	trans	-57.1	-39.2	-175.6	-64.8	-170.9	171.8	0	0	109.4	D294 C298 M299 N300	D294-E296 HydrophobicContact CB-CB 3.95Å; D294-E296 HydrophobicContact CB-CG 4.11Å; D294-E296 PolarHBondContact O-N 3.48Å; D294-E296 WeakPolarHBondContact OD2-CG 3.32Å; E296-C298 VanDerWaalsContact C-N 3.28Å; E296-C298 PolarHBondContact O-N 3.48Å; E296-M299 PolarHBondContact O-N 3.19Å; E296-N300 WeakPolarHBondContact O-CA 3.45Å; E296-N300 WeakPolarHBondContact O-CB 3.4Å; E296-N300 PolarHBondContact O-N 2.92Å; E296-N300 PolarHBondContact O-ND2 3.41Å; E296-N300 PolarHBondContact O-OD1 2.78Å
297	D	59.9	Low	60.7	Low	107 Å²	107	84.5 Å²	84.5	57%	0.572	49%	0.488	S	S	*	.	H	α-helix	trans	-61.9	-37.1	174.9	-63.4	-28.8	0	0	0	112.4	D294 I295 S301	D294-D297 PolarHBondContact O-N 2.77Å; D294-D297 VanDerWaalsContact O-N 3.14Å; I295-D297 PolarHBondContact O-N 3.47Å; D297-S301 PolarHBondContact O-N 3.15Å
298	C	69.3	Low	62.5	Low	14 Å²	14	77.9 Å²	77.9	10%	0.095	45%	0.454	C	S	.	.	H	α-helix	trans	-77.3	-33.8	176.8	-168.7	0	0	0	0	112.9	S45 I295 E296 S301	S45-C298 VanDerWaalsContact CB-SG 3.51Å; S45-C298 PolarHBondContact OG-SG 2.79Å; I295-C298 CarbonylContact O-C 3.5Å; I295-C298 WeakPolarHBondContact O-CA 3.44Å; I295-C298 WeakPolarHBondContact O-CB 3.37Å; I295-C298 PolarHBondContact O-N 2.85Å; E296-C298 VanDerWaalsContact C-N 3.28Å; E296-C298 PolarHBondContact O-N 3.48Å; C298-S301 PolarHBondContact O-OG 3.4Å
299	M	58.7	Low	64.1	Low	70 Å²	70	80.7 Å²	80.7	35%	0.345	46%	0.464	S	S	.	.	H	α-helix	trans	-75.3	-38.1	175.2	-72.3	-177	64.9	0	0	111.5	I295 E296 S301 G302 C307 P308	I295-M299 HydrophobicContact CD1-SD 4.46Å; I295-M299 HydrophobicContact CG1-CG 4.18Å; I295-M299 HydrophobicContact CG1-SD 4.28Å; I295-M299 HydrophobicContact CG2-CG 4.1Å; I295-M299 HydrophobicContact CG2-SD 3.53Å; I295-M299 VanDerWaalsContact CG2-SD 3.53Å; I295-M299 WeakPolarHBondContact O-CG 3.32Å; I295-M299 PolarHBondContact O-N 2.76Å; E296-M299 PolarHBondContact O-N 3.19Å; M299-S301 PolarHBondContact O-N 3.39Å; M299-G302 WeakPolarHBondContact O-CA 3.36Å; M299-G302 PolarHBondContact O-N 3.1Å; M299-C307 HydrophobicContact CG-CB 4.1Å; M299-P308 HydrophobicContact CE-CG 4.45Å; M299-P308 HydrophobicContact SD-CG 4.23Å
300	N	55.8	Low	65.7	Low	123 Å²	123	76 Å²	76	66%	0.658	45%	0.446	S	S	*	.	H	α-helix	trans	-67.4	-24.4	177.5	-66.7	-18.2	0	0	0	111.5	E296 G302	E296-N300 WeakPolarHBondContact O-CA 3.45Å; E296-N300 WeakPolarHBondContact O-CB 3.4Å; E296-N300 PolarHBondContact O-N 2.92Å; E296-N300 PolarHBondContact O-ND2 3.41Å; E296-N300 PolarHBondContact O-OD1 2.78Å; N300-G302 PolarHBondContact O-N 3.4Å
301	S	61.6	Low	67.5	Low	60 Å²	60	75.3 Å²	75.3	42%	0.42	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.4	168.6	80.6	0	0	0	0	113.6	D297 C298 M299 T303	D297-S301 PolarHBondContact O-N 3.15Å; C298-S301 PolarHBondContact O-OG 3.4Å; M299-S301 PolarHBondContact O-N 3.39Å; S301-T303 WeakPolarHBondContact O-CG2 3.44Å; S301-T303 PolarHBondContact O-N 3.37Å; S301-T303 PolarHBondContact O-OG1 2.93Å
302	G	62.3	Low	69.5	Low	69 Å²	69	69.7 Å²	69.7	71%	0.711	42%	0.415	S	S	*	.	S	Bend	trans	64	-3.6	172.3	0	0	0	0	0	116.6	M299 N300	M299-G302 WeakPolarHBondContact O-CA 3.36Å; M299-G302 PolarHBondContact O-N 3.1Å; N300-G302 PolarHBondContact O-N 3.4Å
303	T	74.3	Confident	71.3	Confident	104 Å²	104	66.6 Å²	66.6	64%	0.638	40%	0.401	S	S	*	.			trans	-119.4	-2	-165.8	49.5	0	0	0	0	113.4	S301 S305	S301-T303 WeakPolarHBondContact O-CG2 3.44Å; S301-T303 PolarHBondContact O-N 3.37Å; S301-T303 PolarHBondContact O-OG1 2.93Å; T303-S305 PolarHBondContact O-N 3.04Å
304	C	83.9	Confident	72.9	Confident	31 Å²	31	67.4 Å²	67.4	21%	0.209	40%	0.4	C	S	.	.			trans	-78.7	117	-177.1	-170.5	0	0	0	0	112.4	L306 C307	C304-L306 PolarHBondContact O-N 3.28Å; C304-C307 HydrophobicContact CB-CB 4.14Å
305	S	87.3	Confident	74.2	Confident	76 Å²	76	73.1 Å²	73.1	53%	0.531	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-1.1	177.2	58.8	0	0	0	0	115	A214 T303	A214-S305 WeakPolarHBondContact CB-O 3.25Å; T303-S305 PolarHBondContact O-N 3.04Å
306	L	89	Confident	75.5	Confident	14 Å²	14	76.2 Å²	76.2	7%	0.073	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-16.7	-179.6	-58.4	-177.3	0	0	0	113.1	H48 I212 G213 A214 V221 A224 C304	H48-L306 HydrophobicContact CB-CD1 3.79Å; I212-L306 HydrophobicContact CG2-CB 4.22Å; I212-L306 HydrophobicContact CG2-CD2 4.34Å; G213-L306 PolarHBondContact N-O 3.01Å; A214-L306 PolarHBondContact N-O 3.44Å; A214-L306 VanDerWaalsContact N-O 3.08Å; V221-L306 HydrophobicContact CB-CD2 4.37Å; V221-L306 HydrophobicContact CG2-CD2 3.77Å; A224-L306 HydrophobicContact CB-CD1 3.99Å; A224-L306 HydrophobicContact CB-CD2 3.75Å; C304-L306 PolarHBondContact O-N 3.28Å
307	C	87.3	Confident	77.1	Confident	15 Å²	15	72 Å²	72	10%	0.101	43%	0.425	C	S	.	.	S	Bend	trans	-68.9	150	177.4	-79	0	0	0	0	111.5	A214 M299 C304	A214-C307 WeakPolarHBondContact CB-O 3.4Å; A214-C307 PolarHBondContact N-O 3.04Å; M299-C307 HydrophobicContact CG-CB 4.1Å; C304-C307 HydrophobicContact CB-CB 4.14Å
308	P	82.5	Confident	78.6	Confident	16 Å²	16	67.6 Å²	67.6	10%	0.104	40%	0.402	C	S	.	.			trans	-63	140.3	171.2	27.3	-32.2	0	0	0	110.8	M299	M299-P308 HydrophobicContact CE-CG 4.45Å; M299-P308 HydrophobicContact SD-CG 4.23Å
309	S	77.8	Confident	79.6	Confident	122 Å²	122	70 Å²	70	85%	0.853	41%	0.412	S	S	*	.	S	Bend	trans	-83.6	-23.7	170.1	55.6	0	0	0	0	112.8
310	E	77.3	Confident	81	Confident	106 Å²	106	66.8 Å²	66.8	50%	0.495	40%	0.396	S	S	.	.	S	Bend	trans	-94.9	149.6	179.9	-69.1	178.9	175.4	0	0	111.4	R323	E310-R323 IonicContact OE2-CZ 3.65Å; E310-R323 IonicContact OE2-NH1 2.78Å; E310-R323 PolarHBondContact OE2-NH1 2.98Å
311	P	80.3	Confident	82.7	Confident	108 Å²	108	61 Å²	61	70%	0.701	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-63.6	153.1	175.5	28.1	-34.4	0	0	0	111.3	R323	P311-R323 PolarHBondContact O-NH2 2.8Å
312	W	82.3	Confident	84	Confident	47 Å²	47	59 Å²	59	18%	0.178	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-63.9	135.8	175.4	176.8	-83.7	0	0	0	111.6	V275 D314 G317 N320 F321	V275-W312 HydrophobicContact CG2-CH2 3.85Å; V275-W312 HydrophobicContact CG2-CZ2 3.76Å; W312-D314 PolarHBondContact NE1-OD1 2.91Å; W312-G317 WeakPolarHBondContact CH2-O 3.31Å; W312-N320 HydrophobicContact CE3-CB 3.76Å; W312-N320 HydrophobicContact CH2-CB 3.96Å; W312-N320 WeakPolarHBondContact CH2-ND2 3.24Å; W312-N320 WeakPolarHBondContact CZ2-ND2 3.36Å; W312-N320 HydrophobicContact CZ3-CB 3.41Å; W312-N320 VanDerWaalsContact CZ3-CB 3.41Å; W312-F321 HydrophobicContact CE3-CE2 4.39Å; W312-F321 HydrophobicContact CH2-CE2 4.38Å; W312-F321 HydrophobicContact CZ3-CD2 4.21Å; W312-F321 AromaticContact CZ3-CE2 3.52Å; W312-F321 HydrophobicContact CZ3-CE2 3.52Å; W312-F321 HydrophobicContact CZ3-CZ 4.13Å
313	D	85.2	Confident	84.9	Confident	61 Å²	61	57.7 Å²	57.7	33%	0.326	33%	0.325	S	S	.	.			trans	-107.7	112.6	173.6	-178.9	-12.5	0	0	0	109.9	Q315 L316 N320	D313-Q315 PolarHBondContact O-N 3.38Å; D313-Q315 WeakPolarHBondContact OD1-CB 3.45Å; D313-Q315 PolarHBondContact OD1-N 2.97Å; D313-L316 HydrophobicContact CB-CB 4.48Å; D313-L316 HydrophobicContact CB-CD1 3.93Å; D313-L316 HydrophobicContact CB-CG 4.05Å; D313-L316 PolarHBondContact O-N 3.49Å; D313-N320 PolarHBondContact N-OD1 2.96Å; D313-N320 PolarHBondContact O-ND2 3.2Å
314	D	82.7	Confident	84.8	Confident	111 Å²	111	60.1 Å²	60.1	59%	0.594	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.8	-177.2	-65.1	-49.1	0	0	0	113.1	K278 W312 L316	K278-D314 IonicContact NZ-OD1 2.91Å; K278-D314 PolarHBondContact NZ-OD1 3.46Å; K278-D314 IonicContact NZ-OD2 2.92Å; W312-D314 PolarHBondContact NE1-OD1 2.91Å; D314-L316 VanDerWaalsContact C-N 3.31Å; D314-L316 PolarHBondContact O-N 2.82Å
315	Q	85.3	Confident	84.2	Confident	177 Å²	177	61.4 Å²	61.4	83%	0.827	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-25	178.2	-57.9	-174.2	-0.7	0	0	112.7	D313	D313-Q315 PolarHBondContact O-N 3.38Å; D313-Q315 WeakPolarHBondContact OD1-CB 3.45Å; D313-Q315 PolarHBondContact OD1-N 2.97Å
316	L	86.4	Confident	83.5	Confident	66 Å²	66	64 Å²	64	35%	0.346	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-22.9	-176.6	-63	-179.4	0	0	0	112.9	D313 D314 V318 Q319	D313-L316 HydrophobicContact CB-CB 4.48Å; D313-L316 HydrophobicContact CB-CD1 3.93Å; D313-L316 HydrophobicContact CB-CG 4.05Å; D313-L316 PolarHBondContact O-N 3.49Å; D314-L316 VanDerWaalsContact C-N 3.31Å; D314-L316 PolarHBondContact O-N 2.82Å; L316-V318 PolarHBondContact O-N 3.15Å; L316-Q319 HydrophobicContact CB-CB 4.27Å; L316-Q319 WeakPolarHBondContact O-CB 3.29Å; L316-Q319 WeakPolarHBondContact O-CG 3.42Å; L316-Q319 PolarHBondContact O-N 3.5Å; L316-Q319 PolarHBondContact O-NE2 2.96Å; L316-Q319 VanDerWaalsContact O-NE2 3.11Å
317	G	89.3	Confident	82.9	Confident	15 Å²	15	72.8 Å²	72.8	16%	0.155	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	54.9	-129.2	-174.5	0	0	0	0	0	111.8	V275 W312 Q319 N320	V275-G317 VanDerWaalsContact CG2-C 3.42Å; W312-G317 WeakPolarHBondContact CH2-O 3.31Å; G317-Q319 PolarHBondContact O-N 2.66Å; G317-Q319 VanDerWaalsContact O-N 3.08Å; G317-N320 WeakPolarHBondContact O-CB 3.47Å; G317-N320 PolarHBondContact O-N 3.18Å; G317-N320 PolarHBondContact O-ND2 3.48Å
318	V	91.4	Very high	82.7	Confident	15 Å²	15	81.7 Å²	81.7	9%	0.091	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-65.4	-13.8	177.7	-57.3	0	0	0	0	113.4	R208 P258 V275 L316 N320 F321	R208-V318 PolarHBondContact NE-O 3.21Å; P258-V318 HydrophobicContact CB-CG2 4.46Å; P258-V318 HydrophobicContact CG-CG2 3.38Å; V275-V318 HydrophobicContact CG2-CG1 3.88Å; L316-V318 PolarHBondContact O-N 3.15Å; V318-N320 PolarHBondContact O-N 2.82Å; V318-F321 PolarHBondContact O-N 2.78Å
319	Q	91.1	Very high	82.8	Confident	65 Å²	65	85.5 Å²	85.5	30%	0.304	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-76.3	-4.1	179.3	-53.6	166.6	98.8	0	0	112.7	K256 P258 L316 G317 F321	K256-Q319 VanDerWaalsContact CA-OE1 3.3Å; P258-Q319 HydrophobicContact CG-CG 4.34Å; L316-Q319 HydrophobicContact CB-CB 4.27Å; L316-Q319 WeakPolarHBondContact O-CB 3.29Å; L316-Q319 WeakPolarHBondContact O-CG 3.42Å; L316-Q319 PolarHBondContact O-N 3.5Å; L316-Q319 PolarHBondContact O-NE2 2.96Å; L316-Q319 VanDerWaalsContact O-NE2 3.11Å; G317-Q319 PolarHBondContact O-N 2.66Å; G317-Q319 VanDerWaalsContact O-N 3.08Å; Q319-F321 PolarHBondContact O-N 3.34Å; Q319-F321 VanDerWaalsContact O-N 3.09Å
320	N	88.8	Confident	83.3	Confident	1 Å²	1	82 Å²	82	1%	0.005	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-53.7	-20.4	161.1	-82.5	-82.3	0	0	0	112.6	W312 D313 G317 V318 R323	W312-N320 HydrophobicContact CE3-CB 3.76Å; W312-N320 HydrophobicContact CH2-CB 3.96Å; W312-N320 WeakPolarHBondContact CH2-ND2 3.24Å; W312-N320 WeakPolarHBondContact CZ2-ND2 3.36Å; W312-N320 HydrophobicContact CZ3-CB 3.41Å; W312-N320 VanDerWaalsContact CZ3-CB 3.41Å; D313-N320 PolarHBondContact N-OD1 2.96Å; D313-N320 PolarHBondContact O-ND2 3.2Å; G317-N320 WeakPolarHBondContact O-CB 3.47Å; G317-N320 PolarHBondContact O-N 3.18Å; G317-N320 PolarHBondContact O-ND2 3.48Å; V318-N320 PolarHBondContact O-N 2.82Å; N320-R323 VanDerWaalsContact O-CD 3.3Å; N320-R323 WeakPolarHBondContact O-CD 3.11Å; N320-R323 WeakPolarHBondContact O-CG 3.47Å; N320-R323 PolarHBondContact O-NE 3.01Å; N320-R323 VanDerWaalsContact O-NE 3.15Å; N320-R323 PolarHBondContact OD1-NH2 3.31Å
321	F	90.9	Very high	84	Confident	2 Å²	2	83.1 Å²	83.1	1%	0.009	43%	0.431	C	S	.	.	S	Bend	trans	-125	140.7	-179.9	-55.3	-76.5	0	0	0	112.9	C207 R208 A211 I212 G213 S271 W312 V318 Q319	C207-F321 HydrophobicContact CB-CB 4.45Å; R208-F321 HydrophobicContact CG-CB 3.92Å; R208-F321 WeakPolarHBondContact CG-O 3.22Å; R208-F321 PolarHBondContact NE-O 3.24Å; A211-F321 HydrophobicContact CB-CE1 4.35Å; A211-F321 HydrophobicContact CB-CE2 3.9Å; A211-F321 HydrophobicContact CB-CZ 3.77Å; A211-F321 WeakPolarHBondContact O-CE1 3.29Å; I212-F321 VanDerWaalsContact O-CD1 3.28Å; I212-F321 WeakPolarHBondContact O-CD1 3.45Å; G213-F321 VanDerWaalsContact CA-CD1 3.48Å; G213-F321 VanDerWaalsContact CA-CE1 3.45Å; S271-F321 WeakPolarHBondContact OG-CD2 3.45Å; S271-F321 VanDerWaalsContact OG-CE2 3.26Å; S271-F321 WeakPolarHBondContact OG-CE2 3.22Å; W312-F321 HydrophobicContact CE3-CE2 4.39Å; W312-F321 HydrophobicContact CH2-CE2 4.38Å; W312-F321 HydrophobicContact CZ3-CD2 4.21Å; W312-F321 AromaticContact CZ3-CE2 3.52Å; W312-F321 HydrophobicContact CZ3-CE2 3.52Å; W312-F321 HydrophobicContact CZ3-CZ 4.13Å; V318-F321 PolarHBondContact O-N 2.78Å; Q319-F321 PolarHBondContact O-N 3.34Å; Q319-F321 VanDerWaalsContact O-N 3.09Å
322	P	89.1	Confident	84.5	Confident	18 Å²	18	82.3 Å²	82.3	12%	0.117	43%	0.433	C	S	.	.	S	Bend	cis	-71.6	146.6	-13.7	29.9	-33.1	0	0	0	110.9	R204 C207 K324	R204-P322 HydrophobicContact CB-CG 4.42Å; C207-P322 HydrophobicContact CB-CB 3.89Å; P322-K324 PolarHBondContact O-N 2.93Å
323	R	81.6	Confident	85.1	Confident	42 Å²	42	81.8 Å²	81.8	16%	0.158	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-67.2	126.1	167.4	-66.4	-69.5	179.4	145.7	-0.9	108.2	G213 E310 P311 N320	G213-R323 VanDerWaalsContact O-CB 3.31Å; G213-R323 WeakPolarHBondContact O-CB 3.32Å; G213-R323 WeakPolarHBondContact O-CG 3.46Å; E310-R323 IonicContact OE2-CZ 3.65Å; E310-R323 IonicContact OE2-NH1 2.78Å; E310-R323 PolarHBondContact OE2-NH1 2.98Å; P311-R323 PolarHBondContact O-NH2 2.8Å; N320-R323 VanDerWaalsContact O-CD 3.3Å; N320-R323 WeakPolarHBondContact O-CD 3.11Å; N320-R323 WeakPolarHBondContact O-CG 3.47Å; N320-R323 PolarHBondContact O-NE 3.01Å; N320-R323 VanDerWaalsContact O-NE 3.15Å; N320-R323 PolarHBondContact OD1-NH2 3.31Å
324	K	72.2	Confident	85.5	Confident	154 Å²	154	83 Å²	83	67%	0.67	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-97.3	132.8	178.1	-73.8	-179.3	-179.1	171.5	0	109.1	P322	P322-K324 PolarHBondContact O-N 2.93Å
325	P	70.3	Confident	86.1	Confident	59 Å²	59	78.5 Å²	78.5	38%	0.383	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-63	150.5	172.2	26.7	-33	0	0	0	110.2	K327	P325-K327 PolarHBondContact O-N 2.95Å
326	P	73.4	Confident	86.6	Confident	130 Å²	130	70.2 Å²	70.2	84%	0.844	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-59	131.3	174.2	23.8	-32.2	0	0	0	110
327	K	76.6	Confident	87.1	Confident	198 Å²	198	67.1 Å²	67.1	86%	0.861	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-79.2	132.5	178	-69.9	-174.9	178.4	-177	0	110.1	P325	P325-K327 PolarHBondContact O-N 2.95Å
328	K	81.4	Confident	87.5	Confident	203 Å²	203	66.4 Å²	66.4	88%	0.883	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-62.2	142.4	169.1	-67.3	-174.9	179.9	-178.4	0	110.3
329	A	84.7	Confident	87.7	Confident	95 Å²	95	65.8 Å²	65.8	79%	0.785	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-62.8	136.3	175.8	0	0	0	0	0	110.7
330	P	89.1	Confident	87.9	Confident	49 Å²	49	62.7 Å²	62.7	32%	0.318	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-61.1	146.4	173.5	-25.9	37.5	0	0	0	111.9	H416	P330-H416 WeakPolarHBondContact CG-NE2 3.34Å
331	R	91.3	Very high	88.1	Confident	129 Å²	129	62.7 Å²	62.7	49%	0.487	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	141.7	175.5	73	-167	-178.1	137.2	7.8	110.4	E333 H414 I415 H416	R331-E333 HydrophobicContact CG-CG 4.32Å; R331-E333 IonicContact CZ-OE1 2.78Å; R331-E333 IonicContact CZ-OE2 3.32Å; R331-E333 VanDerWaalsContact CZ-OE2 3.29Å; R331-E333 IonicContact NE-OE1 2.71Å; R331-E333 PolarHBondContact NE-OE1 3.33Å; R331-E333 IonicContact NE-OE2 3.73Å; R331-E333 IonicContact NH1-OE1 3.64Å; R331-E333 PolarHBondContact NH1-OE1 2.86Å; R331-E333 IonicContact NH1-OE2 3.68Å; R331-E333 IonicContact NH2-OE1 2.95Å; R331-E333 PolarHBondContact NH2-OE1 2.84Å; R331-E333 IonicContact NH2-OE2 2.73Å; R331-E333 PolarHBondContact NH2-OE2 3.32Å; R331-H414 WeakPolarHBondContact CG-O 3.19Å; R331-H414 PolarHBondContact N-O 3.29Å; R331-I415 HydrophobicContact CG-CB 4.28Å; R331-I415 HydrophobicContact CG-CG1 4.16Å; R331-I415 HydrophobicContact CG-CG2 4.03Å; R331-I415 CarbonylContact O-C 3.45Å; R331-I415 VanDerWaalsContact O-CA 3.32Å; R331-I415 WeakPolarHBondContact O-CA 3.38Å; R331-H416 PolarHBondContact O-N 3.09Å
332	A	91.4	Very high	88.1	Confident	92 Å²	92	63.8 Å²	63.8	76%	0.76	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.3	173	0	0	0	0	0	110.2	H416	A332-H416 WeakPolarHBondContact CA-O 3.32Å
333	E	94.1	Very high	88.1	Confident	35 Å²	35	65.8 Å²	65.8	16%	0.164	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.7	177.7	-69.7	-172.1	145.9	0	0	110.3	R331 L372 I415 H416 Q417 T418	R331-E333 HydrophobicContact CG-CG 4.32Å; R331-E333 IonicContact CZ-OE1 2.78Å; R331-E333 IonicContact CZ-OE2 3.32Å; R331-E333 VanDerWaalsContact CZ-OE2 3.29Å; R331-E333 IonicContact NE-OE1 2.71Å; R331-E333 PolarHBondContact NE-OE1 3.33Å; R331-E333 IonicContact NE-OE2 3.73Å; R331-E333 IonicContact NH1-OE1 3.64Å; R331-E333 PolarHBondContact NH1-OE1 2.86Å; R331-E333 IonicContact NH1-OE2 3.68Å; R331-E333 IonicContact NH2-OE1 2.95Å; R331-E333 PolarHBondContact NH2-OE1 2.84Å; R331-E333 IonicContact NH2-OE2 2.73Å; R331-E333 PolarHBondContact NH2-OE2 3.32Å; E333-L372 HydrophobicContact CB-CD1 4.33Å; E333-I415 HydrophobicContact CB-CG2 4.04Å; E333-I415 HydrophobicContact CG-CG2 3.92Å; E333-I415 WeakPolarHBondContact OE2-CG2 3.21Å; E333-H416 PolarHBondContact N-O 3.08Å; E333-Q417 CarbonylContact O-C 3.39Å; E333-Q417 WeakPolarHBondContact O-CA 3.47Å; E333-T418 PolarHBondContact O-N 3.22Å
334	R	94.6	Very high	88.1	Confident	87 Å²	87	64 Å²	64	33%	0.328	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.5	173	-64.6	-176.6	76.5	-157	5.8	109.3	L372 L373 D376 E407 T418	R334-L372 WeakPolarHBondContact O-CD1 3.26Å; R334-L373 HydrophobicContact CB-CB 3.9Å; R334-L373 HydrophobicContact CB-CD1 4.31Å; R334-L373 HydrophobicContact CB-CD2 4.29Å; R334-L373 HydrophobicContact CB-CG 4.42Å; R334-L373 VanDerWaalsContact O-CB 3.27Å; R334-L373 WeakPolarHBondContact O-CB 3.45Å; R334-L373 PolarHBondContact O-N 3.39Å; R334-D376 IonicContact NH1-OD1 3.69Å; R334-E407 IonicContact CZ-OE1 3.51Å; R334-E407 IonicContact NH2-OE1 2.78Å; R334-E407 PolarHBondContact NH2-OE1 3.39Å; R334-T418 CarbonylContact C-O 3.44Å; R334-T418 VanDerWaalsContact CA-O 3.3Å; R334-T418 WeakPolarHBondContact CA-O 3.48Å
335	T	95.4	Very high	88.2	Confident	17 Å²	17	64.1 Å²	64.1	10%	0.104	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.5	-179.9	-67.6	0	0	0	0	109.6	V371 Q417 T418 Y419 V420	T335-V371 CarbonylContact C-O 3.55Å; T335-V371 WeakPolarHBondContact CA-O 3.47Å; T335-V371 WeakPolarHBondContact CG2-O 3.26Å; T335-Q417 PolarHBondContact OG1-NE2 3.32Å; T335-T418 PolarHBondContact N-O 2.91Å; T335-Y419 HydrophobicContact CG2-CD1 4.32Å; T335-Y419 HydrophobicContact CG2-CE1 4.47Å; T335-Y419 CarbonylContact O-C 3.17Å; T335-Y419 WeakPolarHBondContact O-CA 3.45Å; T335-V420 PolarHBondContact O-N 3.44Å
336	L	96.1	Very high	88.3	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.016	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	134.1	170.8	-63.8	162.1	0	0	0	108.3	S370 V371 L373 Q381 L385 V420 Y422	L336-S370 CarbonylContact O-C 3.53Å; L336-S370 WeakPolarHBondContact O-CA 3.35Å; L336-S370 WeakPolarHBondContact O-CB 3.41Å; L336-V371 HydrophobicContact CB-CG1 3.75Å; L336-V371 HydrophobicContact CD1-CG1 3.87Å; L336-V371 HydrophobicContact CG-CG1 4.4Å; L336-V371 PolarHBondContact N-O 2.72Å; L336-V371 PolarHBondContact O-N 3.33Å; L336-L373 HydrophobicContact CD1-CD1 4.47Å; L336-L373 HydrophobicContact CD2-CD1 4.07Å; L336-L373 HydrophobicContact CG-CB 4.41Å; L336-L373 HydrophobicContact CG-CD1 4.1Å; L336-Q381 HydrophobicContact CD1-CB 3.7Å; L336-Q381 HydrophobicContact CD1-CG 4.01Å; L336-Q381 WeakPolarHBondContact CD1-O 3.35Å; L336-Q381 HydrophobicContact CD2-CB 3.98Å; L336-Q381 HydrophobicContact CD2-CG 4.37Å; L336-L385 HydrophobicContact CB-CB 4.35Å; L336-L385 HydrophobicContact CB-CD1 4.15Å; L336-L385 HydrophobicContact CB-CD2 4.26Å; L336-L385 HydrophobicContact CB-CG 4.5Å; L336-V420 WeakPolarHBondContact CA-O 3.5Å; L336-V420 HydrophobicContact CD2-CB 4Å; L336-V420 HydrophobicContact CD2-CG1 4.04Å; L336-Y422 HydrophobicContact CD2-CD2 4.46Å; L336-Y422 HydrophobicContact CD2-CE2 3.76Å
337	T	96.9	Very high	88.2	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	134.2	-176.5	-59.4	0	0	0	0	110.4	F368 P369 S370 V420 V421 Y422 I460	T337-F368 HydrophobicContact CG2-CB 3.51Å; T337-F368 HydrophobicContact CG2-CD2 4.24Å; T337-F368 HydrophobicContact CG2-CG 4.31Å; T337-P369 WeakPolarHBondContact CA-O 3.38Å; T337-S370 WeakPolarHBondContact CB-OG 3.4Å; T337-S370 VanDerWaalsContact CG2-OG 3.3Å; T337-S370 WeakPolarHBondContact CG2-OG 3.49Å; T337-S370 PolarHBondContact OG1-OG 3.44Å; T337-V420 PolarHBondContact N-O 2.71Å; T337-V421 WeakPolarHBondContact O-CA 3.2Å; T337-Y422 PolarHBondContact O-N 2.88Å; T337-I460 HydrophobicContact CG2-CD1 4.05Å
338	C	96.9	Very high	88.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.2	-179.8	-169.9	0	0	0	0	112	V340 P369 L385 V389 L402 Y422	C338-V340 HydrophobicContact CB-CG2 4.33Å; C338-V340 PolarHBondContact O-N 2.89Å; C338-P369 PolarHBondContact N-O 3.07Å; C338-L385 HydrophobicContact CB-CD1 4Å; C338-L385 HydrophobicContact CB-CD2 3.98Å; C338-L385 HydrophobicContact CB-CG 4.06Å; C338-V389 HydrophobicContact CB-CG2 3.65Å; C338-L402 HydrophobicContact CB-CD2 4.44Å; C338-L402 WeakPolarHBondContact SG-CD2 3.3Å; C338-Y422 CarbonylContact C-O 3.55Å; C338-Y422 WeakPolarHBondContact CA-O 3.5Å
339	V	96.8	Very high	88.7	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	104.1	167.1	-174.9	0	0	0	0	108.1	T341 Y351 F368 V421 Y422 S423 M424 I460 F464	V339-T341 HydrophobicContact CG1-CG2 4.23Å; V339-Y351 HydrophobicContact CG1-CD1 3.97Å; V339-Y351 HydrophobicContact CG1-CE1 4.25Å; V339-F368 HydrophobicContact CG1-CE1 4.12Å; V339-F368 HydrophobicContact CG1-CZ 4.15Å; V339-F368 HydrophobicContact CG2-CD2 4.11Å; V339-F368 HydrophobicContact CG2-CE2 3.97Å; V339-F368 HydrophobicContact CG2-CG 4.45Å; V339-F368 HydrophobicContact CG2-CZ 4.2Å; V339-V421 HydrophobicContact CG2-CG1 4.04Å; V339-Y422 PolarHBondContact N-O 3.24Å; V339-S423 CarbonylContact O-C 3.56Å; V339-S423 VanDerWaalsContact O-CA 3.28Å; V339-S423 WeakPolarHBondContact O-CA 3.26Å; V339-M424 PolarHBondContact O-N 3.27Å; V339-I460 HydrophobicContact CG2-CG2 3.83Å; V339-F464 HydrophobicContact CB-CD2 4.11Å; V339-F464 HydrophobicContact CB-CE2 4.4Å; V339-F464 HydrophobicContact CB-CG 4.37Å; V339-F464 HydrophobicContact CG1-CD1 4.05Å; V339-F464 HydrophobicContact CG1-CD2 4.05Å; V339-F464 HydrophobicContact CG1-CE1 4.16Å; V339-F464 HydrophobicContact CG1-CE2 4.18Å; V339-F464 HydrophobicContact CG1-CG 3.98Å; V339-F464 HydrophobicContact CG1-CZ 4.23Å; V339-F464 HydrophobicContact CG2-CB 4.39Å; V339-F464 HydrophobicContact CG2-CD2 4.38Å; V339-F464 HydrophobicContact CG2-CG 4.39Å
340	V	94.7	Very high	89	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.4	177.6	-173.4	0	0	0	0	109.7	C338 Y351 L352 V389 L393 M424 L426 W442	C338-V340 HydrophobicContact CB-CG2 4.33Å; C338-V340 PolarHBondContact O-N 2.89Å; V340-Y351 WeakPolarHBondContact O-CA 3.49Å; V340-L352 HydrophobicContact CB-CB 3.93Å; V340-L352 HydrophobicContact CB-CD2 4.14Å; V340-L352 HydrophobicContact CG1-CB 4.45Å; V340-L352 HydrophobicContact CG1-CD2 4.41Å; V340-L352 HydrophobicContact CG2-CD2 4.23Å; V340-L352 PolarHBondContact O-N 3.48Å; V340-V389 HydrophobicContact CG2-CG1 4.06Å; V340-V389 HydrophobicContact CG2-CG2 4.3Å; V340-L393 HydrophobicContact CG1-CD1 4.33Å; V340-M424 CarbonylContact C-O 3.56Å; V340-M424 VanDerWaalsContact CA-O 3.31Å; V340-M424 WeakPolarHBondContact CA-O 3.26Å; V340-M424 HydrophobicContact CB-CE 4.32Å; V340-M424 HydrophobicContact CG1-CE 3.51Å; V340-M424 HydrophobicContact CG2-CB 4.46Å; V340-M424 HydrophobicContact CG2-CE 3.86Å; V340-L426 HydrophobicContact CG1-CD1 4.01Å; V340-L426 HydrophobicContact CG1-CG 4.05Å; V340-W442 HydrophobicContact CG1-CH2 4Å
341	T	93.6	Very high	89.3	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	151.3	178.7	63.6	0	0	0	0	112.8	V339 E350 Y351 M424 L426 F464	V339-T341 HydrophobicContact CG1-CG2 4.23Å; T341-E350 CarbonylContact C-O 3.56Å; T341-E350 VanDerWaalsContact CA-O 3.23Å; T341-E350 WeakPolarHBondContact CA-O 3.45Å; T341-Y351 HydrophobicContact CG2-CD1 3.68Å; T341-Y351 HydrophobicContact CG2-CE1 3.67Å; T341-M424 PolarHBondContact N-O 3.37Å; T341-L426 PolarHBondContact O-N 3.42Å; T341-F464 HydrophobicContact CG2-CE1 4.18Å; T341-F464 HydrophobicContact CG2-CZ 4.05Å
342	R	90.6	Very high	89.4	Confident	26 Å²	26	38.3 Å²	38.3	10%	0.098	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	160.6	171.4	74.7	179.3	-176.5	171.3	3	111.8	G344 E349 E350 L426 T432 W442	R342-G344 PolarHBondContact O-N 3Å; R342-E349 WeakPolarHBondContact O-CA 3.32Å; R342-E350 HydrophobicContact CG-CB 4Å; R342-E350 IonicContact CZ-OE2 2.8Å; R342-E350 VanDerWaalsContact CZ-OE2 3.24Å; R342-E350 PolarHBondContact N-O 2.97Å; R342-E350 IonicContact NE-OE2 3.53Å; R342-E350 PolarHBondContact NE-OE2 3.47Å; R342-E350 IonicContact NH2-OE2 2.69Å; R342-E350 PolarHBondContact NH2-OE2 2.85Å; R342-E350 PolarHBondContact O-N 3.41Å; R342-L426 HydrophobicContact CB-CB 4.19Å; R342-T432 PolarHBondContact NH1-OG1 3.23Å; R342-T432 VanDerWaalsContact NH1-OG1 3.15Å; R342-W442 HydrophobicContact CB-CH2 4.1Å; R342-W442 HydrophobicContact CB-CZ3 3.92Å; R342-W442 HydrophobicContact CG-CD2 4.22Å; R342-W442 HydrophobicContact CG-CE3 3.65Å; R342-W442 HydrophobicContact CG-CH2 3.97Å; R342-W442 HydrophobicContact CG-CZ2 4.49Å; R342-W442 HydrophobicContact CG-CZ3 3.51Å; R342-W442 VanDerWaalsContact CZ-CD1 3.43Å; R342-W442 VanDerWaalsContact CZ-CG 3.41Å; R342-W442 VanDerWaalsContact NE-CD2 3.25Å
343	P	88.6	Confident	89.5	Confident	60 Å²	60	34 Å²	34	39%	0.39	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	113.5	169.1	-18	31.1	0	0	0	111.3	L426 R429	P343-L426 WeakPolarHBondContact CD-O 3.42Å; P343-R429 PolarHBondContact O-NE 3.47Å
344	G	82.6	Confident	89.5	Confident	3 Å²	3	33.3 Å²	33.3	3%	0.031	21%	0.21	C	C	.	.			trans	-76.6	161.6	176.5	0	0	0	0	0	113.2	R342 A346 G347 G348 E350 R429	R342-G344 PolarHBondContact O-N 3Å; G344-A346 VanDerWaalsContact C-N 3.33Å; G344-A346 PolarHBondContact O-N 2.91Å; G344-G347 PolarHBondContact O-N 3.22Å; G344-G347 VanDerWaalsContact O-N 3.14Å; G344-G348 WeakPolarHBondContact CA-O 3.43Å; G344-G348 PolarHBondContact N-O 3.04Å; G344-E350 VanDerWaalsContact CA-CD 3.46Å; G344-E350 WeakPolarHBondContact CA-OE1 3.34Å; G344-R429 VanDerWaalsContact C-NH2 3.27Å; G344-R429 PolarHBondContact O-NH2 3.08Å
345	E	73.9	Confident	89.3	Confident	157 Å²	157	30.3 Å²	30.3	73%	0.734	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-42.7	-171.1	-70.5	-172.7	176.4	0	0	114	G347 R429	E345-G347 VanDerWaalsContact C-N 3.29Å; E345-G347 PolarHBondContact O-N 3.42Å; E345-R429 VanDerWaalsContact CA-CZ 3.49Å; E345-R429 PolarHBondContact O-NH2 3.39Å
346	A	72	Confident	89.1	Confident	109 Å²	109	32.3 Å²	32.3	90%	0.901	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	17.2	-178.2	0	0	0	0	0	114.7	G344	G344-A346 VanDerWaalsContact C-N 3.33Å; G344-A346 PolarHBondContact O-N 2.91Å
347	G	70.5	Confident	88.8	Confident	75 Å²	75	36.5 Å²	36.5	77%	0.773	23%	0.232	S	C	*	.	S	Bend	trans	84	10.2	176.7	0	0	0	0	0	115.8	G344 E345	G344-G347 PolarHBondContact O-N 3.22Å; G344-G347 VanDerWaalsContact O-N 3.14Å; E345-G347 VanDerWaalsContact C-N 3.29Å; E345-G347 PolarHBondContact O-N 3.42Å
348	G	81.1	Confident	88.2	Confident	44 Å²	44	40.9 Å²	40.9	45%	0.454	26%	0.256	S	S	.	.	S	Bend	trans	-102.3	-177.5	173.2	0	0	0	0	0	113.6	G344	G344-G348 WeakPolarHBondContact CA-O 3.43Å; G344-G348 PolarHBondContact N-O 3.04Å
349	E	87.8	Confident	87.5	Confident	59 Å²	59	49.7 Å²	49.7	28%	0.276	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	140	169.4	-70	-164.3	140.4	0	0	111.5	R342 R425	R342-E349 WeakPolarHBondContact O-CA 3.32Å; E349-R425 IonicContact OE1-CZ 2.71Å; E349-R425 IonicContact OE1-NE 2.72Å; E349-R425 PolarHBondContact OE1-NE 3.36Å; E349-R425 IonicContact OE1-NH2 3.45Å; E349-R425 PolarHBondContact OE1-NH2 2.93Å; E349-R425 IonicContact OE2-NH2 3.9Å
350	E	91.9	Very high	87	Confident	24 Å²	24	52.8 Å²	52.8	11%	0.112	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145.5	169.9	-75.8	174.5	-179.7	0	0	110.8	T341 R342 G344 W442 L443 T444	T341-E350 CarbonylContact C-O 3.56Å; T341-E350 VanDerWaalsContact CA-O 3.23Å; T341-E350 WeakPolarHBondContact CA-O 3.45Å; R342-E350 HydrophobicContact CG-CB 4Å; R342-E350 IonicContact CZ-OE2 2.8Å; R342-E350 VanDerWaalsContact CZ-OE2 3.24Å; R342-E350 PolarHBondContact N-O 2.97Å; R342-E350 IonicContact NE-OE2 3.53Å; R342-E350 PolarHBondContact NE-OE2 3.47Å; R342-E350 IonicContact NH2-OE2 2.69Å; R342-E350 PolarHBondContact NH2-OE2 2.85Å; R342-E350 PolarHBondContact O-N 3.41Å; G344-E350 VanDerWaalsContact CA-CD 3.46Å; G344-E350 WeakPolarHBondContact CA-OE1 3.34Å; E350-W442 HydrophobicContact CB-CB 4.29Å; E350-W442 HydrophobicContact CB-CE3 4.01Å; E350-L443 CarbonylContact C-O 3.55Å; E350-L443 WeakPolarHBondContact CA-O 3.41Å; E350-T444 HydrophobicContact CG-CG2 4.26Å
351	Y	94.1	Very high	86.6	Confident	11 Å²	11	55.2 Å²	55.2	4%	0.043	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.7	-177.9	-58.3	-92.3	0	0	0	110.6	V339 V340 T341 F368 W442 L443 R445 L448 F464	V339-Y351 HydrophobicContact CG1-CD1 3.97Å; V339-Y351 HydrophobicContact CG1-CE1 4.25Å; V340-Y351 WeakPolarHBondContact O-CA 3.49Å; T341-Y351 HydrophobicContact CG2-CD1 3.68Å; T341-Y351 HydrophobicContact CG2-CE1 3.67Å; Y351-F368 HydrophobicContact CD1-CE1 4.42Å; Y351-W442 WeakPolarHBondContact O-CA 3.41Å; Y351-L443 WeakPolarHBondContact CD2-O 3.5Å; Y351-L443 PolarHBondContact N-O 3.44Å; Y351-L443 PolarHBondContact O-N 2.97Å; Y351-R445 HydrophobicContact CE2-CB 4.09Å; Y351-L448 HydrophobicContact CD2-CD2 4.14Å; Y351-L448 HydrophobicContact CG-CD2 4.16Å; Y351-F464 HydrophobicContact CE1-CD1 4.31Å; Y351-F464 HydrophobicContact CE1-CE1 4.05Å
352	L	94	Very high	86.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.2	174.2	-178	65.4	0	0	0	110.6	V340 F368 P369 V392 L393 W442	V340-L352 HydrophobicContact CB-CB 3.93Å; V340-L352 HydrophobicContact CB-CD2 4.14Å; V340-L352 HydrophobicContact CG1-CB 4.45Å; V340-L352 HydrophobicContact CG1-CD2 4.41Å; V340-L352 HydrophobicContact CG2-CD2 4.23Å; V340-L352 PolarHBondContact O-N 3.48Å; L352-F368 WeakPolarHBondContact O-CD1 3.41Å; L352-P369 HydrophobicContact CD2-CG 3.9Å; L352-P369 HydrophobicContact CG-CG 4.36Å; L352-V392 HydrophobicContact CD1-CG1 4.38Å; L352-V392 HydrophobicContact CD2-CG1 3.85Å; L352-V392 HydrophobicContact CG-CG1 4.33Å; L352-L393 HydrophobicContact CD1-CD2 4.3Å; L352-L393 HydrophobicContact CD2-CD1 4.43Å; L352-L393 HydrophobicContact CD2-CD2 3.58Å; L352-L393 HydrophobicContact CD2-CG 3.86Å; L352-W442 HydrophobicContact CB-CD2 4.38Å; L352-W442 HydrophobicContact CB-CE3 4.04Å; L352-W442 HydrophobicContact CB-CH2 3.8Å; L352-W442 HydrophobicContact CB-CZ2 4.15Å; L352-W442 HydrophobicContact CB-CZ3 3.73Å; L352-W442 HydrophobicContact CD1-CD2 4.25Å; L352-W442 HydrophobicContact CD1-CH2 4.46Å; L352-W442 HydrophobicContact CD1-CZ2 3.94Å; L352-W442 HydrophobicContact CG-CZ2 4.45Å
353	L	94.4	Very high	86.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.2	172.4	-64.7	164.8	0	0	0	110.9	W366 E367 F368 R440 Q441 L443 L448 L457	L353-W366 HydrophobicContact CB-CB 4.41Å; L353-W366 HydrophobicContact CB-CE3 3.92Å; L353-W366 HydrophobicContact CD1-CB 4.23Å; L353-E367 CarbonylContact C-O 3.59Å; L353-E367 VanDerWaalsContact CA-O 3.29Å; L353-E367 WeakPolarHBondContact CA-O 3.3Å; L353-E367 WeakPolarHBondContact CD2-O 3.44Å; L353-F368 HydrophobicContact CD2-CD1 3.92Å; L353-F368 HydrophobicContact CD2-CE1 3.97Å; L353-F368 HydrophobicContact CD2-CG 4.5Å; L353-R440 CarbonylContact O-C 3.6Å; L353-R440 VanDerWaalsContact O-CA 3.27Å; L353-R440 WeakPolarHBondContact O-CA 3.38Å; L353-Q441 HydrophobicContact CB-CG 4.35Å; L353-Q441 PolarHBondContact N-O 3.36Å; L353-Q441 PolarHBondContact O-N 3.3Å; L353-L443 HydrophobicContact CD1-CB 4.21Å; L353-L443 HydrophobicContact CD1-CD1 3.39Å; L353-L443 HydrophobicContact CD1-CG 3.84Å; L353-L448 HydrophobicContact CD1-CD1 3.65Å; L353-L448 HydrophobicContact CD2-CD1 3.97Å; L353-L448 HydrophobicContact CG-CD1 4.28Å; L353-L457 HydrophobicContact CD2-CD1 4.14Å
354	V	93.4	Very high	86.1	Confident	22 Å²	22	53 Å²	53	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	143.7	171.3	-64.1	0	0	0	0	109.6	E367 V392 R440	V354-E367 HydrophobicContact CG2-CG 3.88Å; V354-E367 PolarHBondContact N-O 3.46Å; V354-E367 PolarHBondContact O-N 2.79Å; V354-V392 HydrophobicContact CG1-CB 4.32Å; V354-V392 HydrophobicContact CG1-CG1 3.38Å; V354-V392 HydrophobicContact CG1-CG2 3.86Å; V354-R440 HydrophobicContact CG1-CB 4.23Å
355	Q	91	Very high	86.5	Confident	24 Å²	24	52.9 Å²	52.9	11%	0.112	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.7	175.9	-159.9	-178.8	39	0	0	109.7	G364 W366 K439	Q355-G364 WeakPolarHBondContact CG-O 3.36Å; Q355-G364 PolarHBondContact NE2-O 2.97Å; Q355-G364 VanDerWaalsContact NE2-O 3.13Å; Q355-W366 HydrophobicContact CB-CD2 4.31Å; Q355-W366 HydrophobicContact CB-CE3 3.96Å; Q355-W366 HydrophobicContact CB-CH2 4.04Å; Q355-W366 HydrophobicContact CB-CZ2 4.35Å; Q355-W366 HydrophobicContact CB-CZ3 3.82Å; Q355-W366 HydrophobicContact CG-CD2 4.46Å; Q355-W366 HydrophobicContact CG-CZ2 4.46Å; Q355-K439 HydrophobicContact CB-CB 3.63Å; Q355-K439 HydrophobicContact CB-CD 4.33Å; Q355-K439 HydrophobicContact CB-CG 4.49Å; Q355-K439 PolarHBondContact N-O 2.97Å
356	R	91.2	Very high	87.4	Confident	59 Å²	59	47.1 Å²	47.1	22%	0.223	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-61.7	151.7	174.6	-70.9	-173.9	67.6	81.2	2.2	111.3	L361 L362 G364 L365 E367	R356-L361 PolarHBondContact NE-O 3.15Å; R356-L361 PolarHBondContact NH2-O 3.1Å; R356-L362 WeakPolarHBondContact CD-O 3.38Å; R356-G364 WeakPolarHBondContact O-CA 3.45Å; R356-G364 PolarHBondContact O-N 3.19Å; R356-L365 WeakPolarHBondContact CB-O 3.25Å; R356-L365 WeakPolarHBondContact CG-O 3.45Å; R356-L365 PolarHBondContact N-O 3.01Å; R356-E367 WeakPolarHBondContact CD-OE2 3.48Å; R356-E367 HydrophobicContact CG-CB 4.38Å; R356-E367 HydrophobicContact CG-CG 3.72Å; R356-E367 WeakPolarHBondContact CG-OE1 3.38Å; R356-E367 IonicContact CZ-OE1 2.72Å; R356-E367 IonicContact CZ-OE2 2.74Å; R356-E367 IonicContact NE-OE2 2.82Å; R356-E367 IonicContact NH1-OE1 3.47Å; R356-E367 PolarHBondContact NH1-OE1 3.46Å; R356-E367 IonicContact NH1-OE2 3.7Å; R356-E367 PolarHBondContact NH1-OE2 3.2Å
357	P	89.1	Confident	88.5	Confident	90 Å²	90	43.3 Å²	43.3	58%	0.584	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-50.4	152.6	172.9	-26.5	34.3	0	0	0	112.4	K359 A363 G364	P357-K359 PolarHBondContact O-N 3.16Å; P357-A363 CarbonylContact O-C 3.55Å; P357-A363 WeakPolarHBondContact O-CA 3.35Å; P357-A363 VanDerWaalsContact O-CB 3.28Å; P357-A363 WeakPolarHBondContact O-CB 3.47Å; P357-G364 PolarHBondContact O-N 2.89Å
358	N	83.4	Confident	89.7	Confident	93 Å²	93	39.8 Å²	39.8	50%	0.497	23%	0.225	S	C	.	.	S	Bend	trans	-70.5	2.6	179.7	-65.7	-9.3	0	0	0	113.1	R147 K439	R147-N358 PolarHBondContact NH1-O 3.23Å; N358-K439 PolarHBondContact OD1-NZ 3.45Å
359	K	82.8	Confident	90.4	Very high	185 Å²	185	37.7 Å²	37.7	80%	0.804	20%	0.203	S	C	*	.	S	Bend	trans	-133.4	154.4	176.9	-64.8	-177.3	-179.5	178.7	0	110.3	P357	P357-K359 PolarHBondContact O-N 3.16Å
360	G	86.3	Confident	90.7	Very high	66 Å²	66	35.9 Å²	35.9	68%	0.68	20%	0.197	S	C	*	.	S	Bend	trans	91.3	-165	178.8	0	0	0	0	0	114.6	L362 A363	G360-L362 PolarHBondContact O-N 3.34Å; G360-A363 WeakPolarHBondContact O-CB 3.22Å; G360-A363 PolarHBondContact O-N 2.98Å
361	L	86.9	Confident	90.8	Very high	52 Å²	52	36.8 Å²	36.8	27%	0.272	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	129.6	-176.9	-177.8	65.8	0	0	0	110.7	R356 A363 F412 I415	R356-L361 PolarHBondContact NE-O 3.15Å; R356-L361 PolarHBondContact NH2-O 3.1Å; L361-A363 PolarHBondContact O-N 3.25Å; L361-F412 HydrophobicContact CD1-CD1 4.16Å; L361-F412 HydrophobicContact CD1-CE1 4.05Å; L361-F412 HydrophobicContact CD1-CZ 4.33Å; L361-F412 HydrophobicContact CD2-CE2 4.15Å; L361-F412 HydrophobicContact CD2-CZ 4.18Å; L361-I415 HydrophobicContact CD1-CD1 4.36Å; L361-I415 HydrophobicContact CD2-CD1 3.84Å
362	L	87.6	Confident	90.8	Very high	27 Å²	27	40.2 Å²	40.2	14%	0.141	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	32.9	179.4	-60	172.7	0	0	0	113.6	Y143 R356 G360 G364 L365 F412	Y143-L362 HydrophobicContact CD2-CD2 4.48Å; R356-L362 WeakPolarHBondContact CD-O 3.38Å; G360-L362 PolarHBondContact O-N 3.34Å; L362-G364 PolarHBondContact O-N 3.33Å; L362-L365 HydrophobicContact CB-CD1 4.04Å; L362-L365 HydrophobicContact CB-CG 4.46Å; L362-L365 HydrophobicContact CD2-CD1 3.8Å; L362-L365 HydrophobicContact CG-CD1 4.45Å; L362-L365 WeakPolarHBondContact O-CB 3.32Å; L362-L365 PolarHBondContact O-N 2.89Å; L362-F412 HydrophobicContact CD1-CE1 4.23Å; L362-F412 HydrophobicContact CD1-CZ 3.95Å; L362-F412 HydrophobicContact CD2-CE1 4.2Å; L362-F412 HydrophobicContact CG-CE1 4.29Å; L362-F412 HydrophobicContact CG-CZ 4.43Å
363	A	87.6	Confident	90.5	Very high	9 Å²	9	41.4 Å²	41.4	7%	0.074	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	136.1	-176	0	0	0	0	0	113	R147 P357 G360 L361 L365	R147-A363 VanDerWaalsContact NH2-CB 3.27Å; R147-A363 PolarHBondContact NH2-O 2.86Å; P357-A363 CarbonylContact O-C 3.55Å; P357-A363 WeakPolarHBondContact O-CA 3.35Å; P357-A363 VanDerWaalsContact O-CB 3.28Å; P357-A363 WeakPolarHBondContact O-CB 3.47Å; G360-A363 WeakPolarHBondContact O-CB 3.22Å; G360-A363 PolarHBondContact O-N 2.98Å; L361-A363 PolarHBondContact O-N 3.25Å; A363-L365 PolarHBondContact O-N 2.79Å
364	G	86.8	Confident	90	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.031	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	-4.3	177.1	0	0	0	0	0	116.2	Q355 R356 P357 L362	Q355-G364 WeakPolarHBondContact CG-O 3.36Å; Q355-G364 PolarHBondContact NE2-O 2.97Å; Q355-G364 VanDerWaalsContact NE2-O 3.13Å; R356-G364 WeakPolarHBondContact O-CA 3.45Å; R356-G364 PolarHBondContact O-N 3.19Å; P357-G364 PolarHBondContact O-N 2.89Å; L362-G364 PolarHBondContact O-N 3.33Å
365	L	90.8	Very high	89.1	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	28%	0.283	C	S	.	.			trans	-77.3	156.9	173.7	-60.1	-169.9	0	0	0	111.6	N134 Y143 R356 L362 A363 A452	N134-L365 HydrophobicContact CB-CD2 4.42Å; Y143-L365 HydrophobicContact CD1-CD1 4.37Å; Y143-L365 HydrophobicContact CD1-CD2 3.66Å; Y143-L365 HydrophobicContact CD1-CG 4.49Å; Y143-L365 HydrophobicContact CD2-CD1 3.72Å; Y143-L365 HydrophobicContact CD2-CD2 4.46Å; Y143-L365 HydrophobicContact CD2-CG 4.47Å; Y143-L365 HydrophobicContact CE1-CD1 4.19Å; Y143-L365 HydrophobicContact CE1-CD2 3.69Å; Y143-L365 HydrophobicContact CE2-CD1 3.52Å; Y143-L365 HydrophobicContact CE2-CD2 4.49Å; Y143-L365 HydrophobicContact CG-CD1 4.12Å; Y143-L365 HydrophobicContact CG-CD2 4.05Å; Y143-L365 HydrophobicContact CG-CG 4.41Å; R356-L365 WeakPolarHBondContact CB-O 3.25Å; R356-L365 WeakPolarHBondContact CG-O 3.45Å; R356-L365 PolarHBondContact N-O 3.01Å; L362-L365 HydrophobicContact CB-CD1 4.04Å; L362-L365 HydrophobicContact CB-CG 4.46Å; L362-L365 HydrophobicContact CD2-CD1 3.8Å; L362-L365 HydrophobicContact CG-CD1 4.45Å; L362-L365 WeakPolarHBondContact O-CB 3.32Å; L362-L365 PolarHBondContact O-N 2.89Å; A363-L365 PolarHBondContact O-N 2.79Å; L365-A452 WeakPolarHBondContact CA-O 3.46Å; L365-A452 WeakPolarHBondContact CB-O 3.42Å; L365-A452 HydrophobicContact CD2-CB 4.01Å
366	W	92.6	Very high	88.4	Confident	36 Å²	36	58.7 Å²	58.7	14%	0.136	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	137.2	172.5	-64.5	99	0	0	0	110.7	L353 Q355 K439 Q441 A452 V453	L353-W366 HydrophobicContact CB-CB 4.41Å; L353-W366 HydrophobicContact CB-CE3 3.92Å; L353-W366 HydrophobicContact CD1-CB 4.23Å; Q355-W366 HydrophobicContact CB-CD2 4.31Å; Q355-W366 HydrophobicContact CB-CE3 3.96Å; Q355-W366 HydrophobicContact CB-CH2 4.04Å; Q355-W366 HydrophobicContact CB-CZ2 4.35Å; Q355-W366 HydrophobicContact CB-CZ3 3.82Å; Q355-W366 HydrophobicContact CG-CD2 4.46Å; Q355-W366 HydrophobicContact CG-CZ2 4.46Å; W366-K439 WeakPolarHBondContact CZ3-O 3.33Å; W366-Q441 HydrophobicContact CD2-CG 4.43Å; W366-Q441 HydrophobicContact CE3-CG 3.9Å; W366-Q441 HydrophobicContact CH2-CB 4.25Å; W366-Q441 HydrophobicContact CH2-CG 3.73Å; W366-Q441 HydrophobicContact CZ2-CG 4.29Å; W366-Q441 HydrophobicContact CZ3-CB 4.24Å; W366-Q441 HydrophobicContact CZ3-CG 3.53Å; W366-A452 PolarHBondContact N-O 3.42Å; W366-V453 HydrophobicContact CB-CG1 3.92Å
367	E	94.9	Very high	88.2	Confident	29 Å²	29	59.7 Å²	59.7	14%	0.136	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	163.7	174.3	69.1	177.5	166.4	0	0	112.9	L353 V354 R356 L457	L353-E367 CarbonylContact C-O 3.59Å; L353-E367 VanDerWaalsContact CA-O 3.29Å; L353-E367 WeakPolarHBondContact CA-O 3.3Å; L353-E367 WeakPolarHBondContact CD2-O 3.44Å; V354-E367 HydrophobicContact CG2-CG 3.88Å; V354-E367 PolarHBondContact N-O 3.46Å; V354-E367 PolarHBondContact O-N 2.79Å; R356-E367 WeakPolarHBondContact CD-OE2 3.48Å; R356-E367 HydrophobicContact CG-CB 4.38Å; R356-E367 HydrophobicContact CG-CG 3.72Å; R356-E367 WeakPolarHBondContact CG-OE1 3.38Å; R356-E367 IonicContact CZ-OE1 2.72Å; R356-E367 IonicContact CZ-OE2 2.74Å; R356-E367 IonicContact NE-OE2 2.82Å; R356-E367 IonicContact NH1-OE1 3.47Å; R356-E367 PolarHBondContact NH1-OE1 3.46Å; R356-E367 IonicContact NH1-OE2 3.7Å; R356-E367 PolarHBondContact NH1-OE2 3.2Å; E367-L457 VanDerWaalsContact CA-CD1 3.45Å; E367-L457 HydrophobicContact CB-CD1 4.24Å
368	F	96.4	Very high	87.9	Confident	1 Å²	1	60.5 Å²	60.5	0%	0.004	32%	0.318	C	S	.	.			trans	-70.7	154.2	165.4	-69.4	-55.1	0	0	0	110.1	T337 V339 Y351 L352 L353 S370 L448 L457 I460 V461	T337-F368 HydrophobicContact CG2-CB 3.51Å; T337-F368 HydrophobicContact CG2-CD2 4.24Å; T337-F368 HydrophobicContact CG2-CG 4.31Å; V339-F368 HydrophobicContact CG1-CE1 4.12Å; V339-F368 HydrophobicContact CG1-CZ 4.15Å; V339-F368 HydrophobicContact CG2-CD2 4.11Å; V339-F368 HydrophobicContact CG2-CE2 3.97Å; V339-F368 HydrophobicContact CG2-CG 4.45Å; V339-F368 HydrophobicContact CG2-CZ 4.2Å; Y351-F368 HydrophobicContact CD1-CE1 4.42Å; L352-F368 WeakPolarHBondContact O-CD1 3.41Å; L353-F368 HydrophobicContact CD2-CD1 3.92Å; L353-F368 HydrophobicContact CD2-CE1 3.97Å; L353-F368 HydrophobicContact CD2-CG 4.5Å; F368-S370 PolarHBondContact O-N 2.78Å; F368-S370 VanDerWaalsContact O-N 3.17Å; F368-S370 PolarHBondContact O-OG 3.42Å; F368-S370 VanDerWaalsContact O-OG 3.08Å; F368-L448 HydrophobicContact CZ-CD2 4.36Å; F368-L457 HydrophobicContact CD2-CD1 3.76Å; F368-L457 HydrophobicContact CD2-CD2 4.4Å; F368-L457 HydrophobicContact CD2-CG 3.81Å; F368-L457 HydrophobicContact CE2-CD1 4.02Å; F368-L457 HydrophobicContact CE2-CD2 3.83Å; F368-L457 HydrophobicContact CE2-CG 3.69Å; F368-L457 HydrophobicContact CG-CD1 4.23Å; F368-L457 HydrophobicContact CZ-CD2 4.24Å; F368-I460 HydrophobicContact CD2-CG2 3.93Å; F368-I460 HydrophobicContact CE2-CB 4.42Å; F368-I460 HydrophobicContact CE2-CG2 3.88Å; F368-V461 HydrophobicContact CE2-CG2 3.82Å; F368-V461 HydrophobicContact CZ-CG2 3.81Å
369	P	95.4	Very high	88	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	-51.2	123.3	170.2	-25.8	33.4	0	0	0	111.2	T337 C338 L352 V389 V392	T337-P369 WeakPolarHBondContact CA-O 3.38Å; C338-P369 PolarHBondContact N-O 3.07Å; L352-P369 HydrophobicContact CD2-CG 3.9Å; L352-P369 HydrophobicContact CG-CG 4.36Å; P369-V389 HydrophobicContact CB-CG2 3.98Å; P369-V392 HydrophobicContact CG-CG1 4.46Å
370	S	94.8	Very high	88.1	Confident	21 Å²	21	56 Å²	56	15%	0.147	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	144.5	-169.8	-72.2	0	0	0	0	112.2	L336 T337 F368	L336-S370 CarbonylContact O-C 3.53Å; L336-S370 WeakPolarHBondContact O-CA 3.35Å; L336-S370 WeakPolarHBondContact O-CB 3.41Å; T337-S370 WeakPolarHBondContact CB-OG 3.4Å; T337-S370 VanDerWaalsContact CG2-OG 3.3Å; T337-S370 WeakPolarHBondContact CG2-OG 3.49Å; T337-S370 PolarHBondContact OG1-OG 3.44Å; F368-S370 PolarHBondContact O-N 2.78Å; F368-S370 VanDerWaalsContact O-N 3.17Å; F368-S370 PolarHBondContact O-OG 3.42Å; F368-S370 VanDerWaalsContact O-OG 3.08Å
371	V	94.3	Very high	88.2	Confident	42 Å²	42	53.7 Å²	53.7	26%	0.255	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.5	176.1	63.8	0	0	0	0	110.7	T335 L336 L373 L385	T335-V371 CarbonylContact C-O 3.55Å; T335-V371 WeakPolarHBondContact CA-O 3.47Å; T335-V371 WeakPolarHBondContact CG2-O 3.26Å; L336-V371 HydrophobicContact CB-CG1 3.75Å; L336-V371 HydrophobicContact CD1-CG1 3.87Å; L336-V371 HydrophobicContact CG-CG1 4.4Å; L336-V371 PolarHBondContact N-O 2.72Å; L336-V371 PolarHBondContact O-N 3.33Å; V371-L373 PolarHBondContact O-N 3.48Å; V371-L385 HydrophobicContact CG1-CB 4.35Å; V371-L385 HydrophobicContact CG1-CD1 4.23Å
372	L	92.7	Very high	88.3	Confident	83 Å²	83	53.6 Å²	53.6	44%	0.435	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	130.1	176.3	-173.1	71.8	0	0	0	109.4	E333 R334 Q374	E333-L372 HydrophobicContact CB-CD1 4.33Å; R334-L372 WeakPolarHBondContact O-CD1 3.26Å; L372-Q374 PolarHBondContact O-N 3.43Å
373	L	88.7	Confident	88.5	Confident	26 Å²	26	58.2 Å²	58.2	14%	0.136	29%	0.286	C	S	.	.			trans	-76.7	115.7	-180	-173.4	148.1	0	0	0	109.2	R334 L336 V371 E375 Q381	R334-L373 HydrophobicContact CB-CB 3.9Å; R334-L373 HydrophobicContact CB-CD1 4.31Å; R334-L373 HydrophobicContact CB-CD2 4.29Å; R334-L373 HydrophobicContact CB-CG 4.42Å; R334-L373 VanDerWaalsContact O-CB 3.27Å; R334-L373 WeakPolarHBondContact O-CB 3.45Å; R334-L373 PolarHBondContact O-N 3.39Å; L336-L373 HydrophobicContact CD1-CD1 4.47Å; L336-L373 HydrophobicContact CD2-CD1 4.07Å; L336-L373 HydrophobicContact CG-CB 4.41Å; L336-L373 HydrophobicContact CG-CD1 4.1Å; V371-L373 PolarHBondContact O-N 3.48Å; L373-E375 WeakPolarHBondContact CD2-O 3.36Å; L373-Q381 HydrophobicContact CD1-CG 4.07Å; L373-Q381 HydrophobicContact CG-CG 4.38Å
374	Q	82.6	Confident	88.7	Confident	176 Å²	176	59.4 Å²	59.4	82%	0.822	30%	0.296	S	S	*	.			trans	-106.7	-21.7	176.8	-65.4	-177.1	-13.5	0	0	112.7	L372	L372-Q374 PolarHBondContact O-N 3.43Å
375	E	75.1	Confident	89	Confident	94 Å²	94	59.2 Å²	59.2	44%	0.439	29%	0.294	S	S	.	.			trans	-126.1	144.5	-175.7	-63.8	-160.7	-147.7	0	0	111.7	L373 K380 Q381	L373-E375 WeakPolarHBondContact CD2-O 3.36Å; E375-K380 IonicContact OE1-NZ 3.52Å; E375-K380 WeakPolarHBondContact OE2-CD 3.38Å; E375-K380 WeakPolarHBondContact OE2-CE 3.24Å; E375-K380 IonicContact OE2-NZ 3.52Å; E375-K380 PolarHBondContact OE2-NZ 3.5Å; E375-Q381 WeakPolarHBondContact O-CG 3.31Å; E375-Q381 PolarHBondContact O-NE2 2.98Å
376	D	76.9	Confident	89.1	Confident	138 Å²	138	59.4 Å²	59.4	74%	0.738	30%	0.295	S	S	*	.			trans	-88.3	0.3	-179.2	-85	-32.5	0	0	0	114.6	R334 Q381	R334-D376 IonicContact NH1-OD1 3.69Å; D376-Q381 VanDerWaalsContact C-NE2 3.33Å; D376-Q381 PolarHBondContact O-NE2 3.18Å
377	N	86.8	Confident	89	Confident	80 Å²	80	63.3 Å²	63.3	43%	0.428	32%	0.315	S	S	.	.			trans	-82.6	119.5	178.3	-176.2	-60.8	0	0	0	112	V379 K380 Q381	N377-V379 VanDerWaalsContact C-N 3.34Å; N377-V379 PolarHBondContact O-N 3.36Å; N377-V379 WeakPolarHBondContact OD1-CB 3.44Å; N377-V379 PolarHBondContact OD1-N 2.92Å; N377-K380 HydrophobicContact CB-CB 4.23Å; N377-K380 HydrophobicContact CB-CD 4.19Å; N377-K380 HydrophobicContact CB-CG 4.24Å; N377-K380 PolarHBondContact O-N 3.49Å; N377-K380 PolarHBondContact OD1-N 2.91Å; N377-Q381 VanDerWaalsContact O-CG 3.26Å; N377-Q381 WeakPolarHBondContact O-CG 3.48Å; N377-Q381 PolarHBondContact O-N 3.2Å
378	E	83.4	Confident	88.9	Confident	107 Å²	107	63.8 Å²	63.8	50%	0.5	32%	0.317	S	S	.	.	H	α-helix	trans	-57.8	-39.5	-176.6	-167.1	-170.5	155.3	0	0	113.9	Q381 K382	E378-Q381 WeakPolarHBondContact O-CB 3.42Å; E378-Q381 PolarHBondContact O-N 3.11Å; E378-K382 PolarHBondContact O-N 3.23Å; E378-K382 VanDerWaalsContact OE1-CE 3.31Å; E378-K382 WeakPolarHBondContact OE1-CE 3.22Å; E378-K382 IonicContact OE1-NZ 3.85Å; E378-K382 PolarHBondContact OE1-NZ 2.91Å
379	V	83.9	Confident	88.6	Confident	85 Å²	85	63.8 Å²	63.8	52%	0.515	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-44.5	-179.5	179.2	0	0	0	0	110.2	N377 Q381 K382 R383	N377-V379 VanDerWaalsContact C-N 3.34Å; N377-V379 PolarHBondContact O-N 3.36Å; N377-V379 WeakPolarHBondContact OD1-CB 3.44Å; N377-V379 PolarHBondContact OD1-N 2.92Å; V379-Q381 VanDerWaalsContact C-N 3.35Å; V379-K382 PolarHBondContact O-N 3.13Å; V379-R383 PolarHBondContact O-N 3.48Å
380	K	85.8	Confident	88.4	Confident	98 Å²	98	65.2 Å²	65.2	43%	0.426	33%	0.325	S	S	.	.	H	α-helix	trans	-67.4	-36	177	-67	-174.8	177.7	-171.4	0	112.3	E375 N377 R383 A384	E375-K380 IonicContact OE1-NZ 3.52Å; E375-K380 WeakPolarHBondContact OE2-CD 3.38Å; E375-K380 WeakPolarHBondContact OE2-CE 3.24Å; E375-K380 IonicContact OE2-NZ 3.52Å; E375-K380 PolarHBondContact OE2-NZ 3.5Å; N377-K380 HydrophobicContact CB-CB 4.23Å; N377-K380 HydrophobicContact CB-CD 4.19Å; N377-K380 HydrophobicContact CB-CG 4.24Å; N377-K380 PolarHBondContact O-N 3.49Å; N377-K380 PolarHBondContact OD1-N 2.91Å; K380-R383 PolarHBondContact O-N 3.21Å; K380-A384 WeakPolarHBondContact O-CB 3.3Å; K380-A384 PolarHBondContact O-N 2.96Å
381	Q	88.6	Confident	88.2	Confident	18 Å²	18	70.8 Å²	70.8	8%	0.084	34%	0.343	C	S	.	.	H	α-helix	trans	-60.7	-49.2	173.5	-71.8	167.7	10.2	0	0	111.6	L336 L373 E375 D376 N377 E378 V379 R383 A384 L385	L336-Q381 HydrophobicContact CD1-CB 3.7Å; L336-Q381 HydrophobicContact CD1-CG 4.01Å; L336-Q381 WeakPolarHBondContact CD1-O 3.35Å; L336-Q381 HydrophobicContact CD2-CB 3.98Å; L336-Q381 HydrophobicContact CD2-CG 4.37Å; L373-Q381 HydrophobicContact CD1-CG 4.07Å; L373-Q381 HydrophobicContact CG-CG 4.38Å; E375-Q381 WeakPolarHBondContact O-CG 3.31Å; E375-Q381 PolarHBondContact O-NE2 2.98Å; D376-Q381 VanDerWaalsContact C-NE2 3.33Å; D376-Q381 PolarHBondContact O-NE2 3.18Å; N377-Q381 VanDerWaalsContact O-CG 3.26Å; N377-Q381 WeakPolarHBondContact O-CG 3.48Å; N377-Q381 PolarHBondContact O-N 3.2Å; E378-Q381 WeakPolarHBondContact O-CB 3.42Å; E378-Q381 PolarHBondContact O-N 3.11Å; V379-Q381 VanDerWaalsContact C-N 3.35Å; Q381-R383 VanDerWaalsContact C-N 3.31Å; Q381-R383 PolarHBondContact O-N 2.89Å; Q381-A384 PolarHBondContact O-N 2.82Å; Q381-L385 WeakPolarHBondContact O-CB 3.46Å; Q381-L385 PolarHBondContact O-N 3.3Å
382	K	89	Confident	87.9	Confident	51 Å²	51	68.9 Å²	68.9	22%	0.222	33%	0.332	C	S	.	.	H	α-helix	trans	-61.1	-41.3	176.8	-75.3	179.6	-179.6	160.1	0	111.6	E378 V379 L385 C386 E399 L402 Y422	E378-K382 PolarHBondContact O-N 3.23Å; E378-K382 VanDerWaalsContact OE1-CE 3.31Å; E378-K382 WeakPolarHBondContact OE1-CE 3.22Å; E378-K382 IonicContact OE1-NZ 3.85Å; E378-K382 PolarHBondContact OE1-NZ 2.91Å; V379-K382 PolarHBondContact O-N 3.13Å; K382-L385 PolarHBondContact O-N 3.5Å; K382-C386 WeakPolarHBondContact O-CB 3.22Å; K382-C386 PolarHBondContact O-N 2.93Å; K382-E399 HydrophobicContact CB-CB 4.14Å; K382-L402 HydrophobicContact CB-CD1 4.44Å; K382-L402 WeakPolarHBondContact O-CD1 3.28Å; K382-Y422 HydrophobicContact CD-CE1 4.37Å; K382-Y422 HydrophobicContact CG-CE1 3.94Å
383	R	90.8	Very high	87.7	Confident	123 Å²	123	65 Å²	65	46%	0.464	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-51.1	175.9	-174.1	178.4	-62.6	168.4	1.3	112	V379 K380 Q381 L385 C386 E387	V379-R383 PolarHBondContact O-N 3.48Å; K380-R383 PolarHBondContact O-N 3.21Å; Q381-R383 VanDerWaalsContact C-N 3.31Å; Q381-R383 PolarHBondContact O-N 2.89Å; R383-L385 VanDerWaalsContact C-N 3.32Å; R383-L385 PolarHBondContact O-N 3.26Å; R383-C386 WeakPolarHBondContact O-CB 3.43Å; R383-C386 PolarHBondContact O-N 3.3Å; R383-C386 VanDerWaalsContact O-N 3.13Å; R383-E387 HydrophobicContact CG-CG 4.49Å; R383-E387 WeakPolarHBondContact CG-OE1 3.08Å; R383-E387 WeakPolarHBondContact O-CG 3.41Å; R383-E387 PolarHBondContact O-N 2.83Å
384	A	91.7	Very high	87.4	Confident	34 Å²	34	69.4 Å²	69.4	28%	0.281	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-40.4	179.4	0	0	0	0	0	112.5	K380 Q381 E388	K380-A384 WeakPolarHBondContact O-CB 3.3Å; K380-A384 PolarHBondContact O-N 2.96Å; Q381-A384 PolarHBondContact O-N 2.82Å; A384-E388 PolarHBondContact O-N 3.06Å; A384-E388 VanDerWaalsContact O-N 3.15Å
385	L	93.4	Very high	87.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68	-39.7	175.3	-176	61.7	0	0	0	111.9	L336 C338 V371 Q381 K382 R383 E388 V389 L402 Y422	L336-L385 HydrophobicContact CB-CB 4.35Å; L336-L385 HydrophobicContact CB-CD1 4.15Å; L336-L385 HydrophobicContact CB-CD2 4.26Å; L336-L385 HydrophobicContact CB-CG 4.5Å; C338-L385 HydrophobicContact CB-CD1 4Å; C338-L385 HydrophobicContact CB-CD2 3.98Å; C338-L385 HydrophobicContact CB-CG 4.06Å; V371-L385 HydrophobicContact CG1-CB 4.35Å; V371-L385 HydrophobicContact CG1-CD1 4.23Å; Q381-L385 WeakPolarHBondContact O-CB 3.46Å; Q381-L385 PolarHBondContact O-N 3.3Å; K382-L385 PolarHBondContact O-N 3.5Å; R383-L385 VanDerWaalsContact C-N 3.32Å; R383-L385 PolarHBondContact O-N 3.26Å; L385-E388 PolarHBondContact O-N 3.38Å; L385-V389 WeakPolarHBondContact O-CG2 3.29Å; L385-V389 PolarHBondContact O-N 2.83Å; L385-L402 HydrophobicContact CB-CD1 4.3Å; L385-L402 HydrophobicContact CD2-CD1 4.32Å; L385-L402 HydrophobicContact CG-CD1 4.35Å; L385-Y422 HydrophobicContact CD2-CD2 3.48Å; L385-Y422 VanDerWaalsContact CD2-CD2 3.48Å; L385-Y422 HydrophobicContact CD2-CE2 4.33Å; L385-Y422 HydrophobicContact CD2-CG 3.77Å
386	C	92.5	Very high	87.8	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.034	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-43.3	176.3	-167.4	0	0	0	0	111.3	K382 R383 E388 V389 N390 F397 E399 L402	K382-C386 WeakPolarHBondContact O-CB 3.22Å; K382-C386 PolarHBondContact O-N 2.93Å; R383-C386 WeakPolarHBondContact O-CB 3.43Å; R383-C386 PolarHBondContact O-N 3.3Å; R383-C386 VanDerWaalsContact O-N 3.13Å; C386-E388 VanDerWaalsContact C-N 3.32Å; C386-E388 PolarHBondContact O-N 2.88Å; C386-V389 PolarHBondContact O-N 3.35Å; C386-N390 VanDerWaalsContact O-CB 3.23Å; C386-N390 WeakPolarHBondContact O-CB 3.15Å; C386-N390 PolarHBondContact O-N 3.04Å; C386-N390 PolarHBondContact O-ND2 3.29Å; C386-F397 PolarHBondContact SG-O 3.15Å; C386-E399 HydrophobicContact CB-CB 4.14Å; C386-E399 PolarHBondContact SG-N 2.95Å; C386-L402 HydrophobicContact CB-CD1 3.92Å
387	E	91.9	Very high	88.1	Confident	119 Å²	119	60 Å²	60	56%	0.556	29%	0.294	S	S	*	.	H	α-helix	trans	-57.7	-43.7	174.4	-75.1	170.8	-172.6	0	0	111.7	R383 N390 R391	R383-E387 HydrophobicContact CG-CG 4.49Å; R383-E387 WeakPolarHBondContact CG-OE1 3.08Å; R383-E387 WeakPolarHBondContact O-CG 3.41Å; R383-E387 PolarHBondContact O-N 2.83Å; E387-N390 PolarHBondContact O-N 2.92Å; E387-R391 VanDerWaalsContact O-CB 3.29Å; E387-R391 WeakPolarHBondContact O-CB 3.26Å; E387-R391 PolarHBondContact O-N 2.78Å
388	E	91.7	Very high	88	Confident	38 Å²	38	59.9 Å²	59.9	18%	0.178	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-44.1	176.3	176.6	56.7	-164.1	0	0	112.1	A384 L385 C386 N390 R391 V392	A384-E388 PolarHBondContact O-N 3.06Å; A384-E388 VanDerWaalsContact O-N 3.15Å; L385-E388 PolarHBondContact O-N 3.38Å; C386-E388 VanDerWaalsContact C-N 3.32Å; C386-E388 PolarHBondContact O-N 2.88Å; E388-N390 VanDerWaalsContact C-N 3.35Å; E388-N390 PolarHBondContact O-N 3.4Å; E388-R391 WeakPolarHBondContact O-CB 2.91Å; E388-R391 PolarHBondContact O-N 3.06Å; E388-R391 IonicContact OE1-CZ 2.75Å; E388-R391 IonicContact OE1-NE 3.66Å; E388-R391 IonicContact OE1-NH2 3.74Å; E388-R391 PolarHBondContact OE1-NH2 2.93Å; E388-R391 IonicContact OE2-CZ 3.21Å; E388-R391 IonicContact OE2-NE 2.63Å; E388-R391 PolarHBondContact OE2-NE 3.35Å; E388-R391 IonicContact OE2-NH2 2.88Å; E388-R391 PolarHBondContact OE2-NH2 2.93Å; E388-V392 VanDerWaalsContact O-CG2 3.3Å; E388-V392 WeakPolarHBondContact O-CG2 3.19Å; E388-V392 PolarHBondContact O-N 3.02Å
389	V	91.7	Very high	88	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-42.3	176.1	169.4	0	0	0	0	111.3	C338 V340 P369 L385 C386 V392 L393 M424	C338-V389 HydrophobicContact CB-CG2 3.65Å; V340-V389 HydrophobicContact CG2-CG1 4.06Å; V340-V389 HydrophobicContact CG2-CG2 4.3Å; P369-V389 HydrophobicContact CB-CG2 3.98Å; L385-V389 WeakPolarHBondContact O-CG2 3.29Å; L385-V389 PolarHBondContact O-N 2.83Å; C386-V389 PolarHBondContact O-N 3.35Å; V389-V392 PolarHBondContact O-N 3.18Å; V389-L393 HydrophobicContact CG1-CD1 3.73Å; V389-L393 HydrophobicContact CG1-CG 4.44Å; V389-L393 WeakPolarHBondContact O-CB 3.47Å; V389-L393 WeakPolarHBondContact O-CG 3.36Å; V389-L393 PolarHBondContact O-N 2.95Å; V389-M424 HydrophobicContact CG1-CE 3.3Å; V389-M424 HydrophobicContact CG1-SD 4.19Å
390	N	90.8	Very high	88.1	Confident	30 Å²	30	60.5 Å²	60.5	16%	0.16	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-41.9	176	-79.3	-18.7	0	0	0	111.7	C386 E387 E388 L393 R394 S395 F397	C386-N390 VanDerWaalsContact O-CB 3.23Å; C386-N390 WeakPolarHBondContact O-CB 3.15Å; C386-N390 PolarHBondContact O-N 3.04Å; C386-N390 PolarHBondContact O-ND2 3.29Å; E387-N390 PolarHBondContact O-N 2.92Å; E388-N390 VanDerWaalsContact C-N 3.35Å; E388-N390 PolarHBondContact O-N 3.4Å; N390-L393 PolarHBondContact O-N 3.16Å; N390-R394 VanDerWaalsContact O-CA 3.24Å; N390-R394 WeakPolarHBondContact O-CA 3.41Å; N390-R394 PolarHBondContact O-N 3.17Å; N390-S395 WeakPolarHBondContact CA-O 3.38Å; N390-S395 WeakPolarHBondContact CB-O 3.32Å; N390-S395 PolarHBondContact O-N 2.98Å; N390-S395 VanDerWaalsContact O-N 3.16Å; N390-S395 PolarHBondContact OD1-O 3.33Å; N390-F397 PolarHBondContact ND2-N 3.15Å; N390-F397 PolarHBondContact ND2-O 3.36Å; N390-F397 VanDerWaalsContact OD1-CB 3.31Å; N390-F397 WeakPolarHBondContact OD1-CB 3.34Å; N390-F397 VanDerWaalsContact OD1-CD2 3.27Å; N390-F397 WeakPolarHBondContact OD1-CD2 3.34Å; N390-F397 PolarHBondContact OD1-N 3.39Å
391	R	90.4	Very high	88.1	Confident	138 Å²	138	60.1 Å²	60.1	52%	0.521	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-47.5	173.8	-172.1	-169.3	70.3	73.9	-0	110.9	E387 E388	E387-R391 VanDerWaalsContact O-CB 3.29Å; E387-R391 WeakPolarHBondContact O-CB 3.26Å; E387-R391 PolarHBondContact O-N 2.78Å; E388-R391 WeakPolarHBondContact O-CB 2.91Å; E388-R391 PolarHBondContact O-N 3.06Å; E388-R391 IonicContact OE1-CZ 2.75Å; E388-R391 IonicContact OE1-NE 3.66Å; E388-R391 IonicContact OE1-NH2 3.74Å; E388-R391 PolarHBondContact OE1-NH2 2.93Å; E388-R391 IonicContact OE2-CZ 3.21Å; E388-R391 IonicContact OE2-NE 2.63Å; E388-R391 PolarHBondContact OE2-NE 3.35Å; E388-R391 IonicContact OE2-NH2 2.88Å; E388-R391 PolarHBondContact OE2-NH2 2.93Å
392	V	88.4	Confident	88.3	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-67.9	-39.6	179.9	173.2	0	0	0	0	111.9	L352 V354 P369 E388 V389 R440	L352-V392 HydrophobicContact CD1-CG1 4.38Å; L352-V392 HydrophobicContact CD2-CG1 3.85Å; L352-V392 HydrophobicContact CG-CG1 4.33Å; V354-V392 HydrophobicContact CG1-CB 4.32Å; V354-V392 HydrophobicContact CG1-CG1 3.38Å; V354-V392 HydrophobicContact CG1-CG2 3.86Å; P369-V392 HydrophobicContact CG-CG1 4.46Å; E388-V392 VanDerWaalsContact O-CG2 3.3Å; E388-V392 WeakPolarHBondContact O-CG2 3.19Å; E388-V392 PolarHBondContact O-N 3.02Å; V389-V392 PolarHBondContact O-N 3.18Å; V392-R440 WeakPolarHBondContact O-CD 3.49Å; V392-R440 PolarHBondContact O-NH1 3Å
393	L	86.7	Confident	88.5	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-82.6	-18.6	-179.2	-73.6	174.1	0	0	0	113	V340 L352 V389 N390 F397 M424 L426 V431 R440 W442	V340-L393 HydrophobicContact CG1-CD1 4.33Å; L352-L393 HydrophobicContact CD1-CD2 4.3Å; L352-L393 HydrophobicContact CD2-CD1 4.43Å; L352-L393 HydrophobicContact CD2-CD2 3.58Å; L352-L393 HydrophobicContact CD2-CG 3.86Å; V389-L393 HydrophobicContact CG1-CD1 3.73Å; V389-L393 HydrophobicContact CG1-CG 4.44Å; V389-L393 WeakPolarHBondContact O-CB 3.47Å; V389-L393 WeakPolarHBondContact O-CG 3.36Å; V389-L393 PolarHBondContact O-N 2.95Å; N390-L393 PolarHBondContact O-N 3.16Å; L393-F397 HydrophobicContact CB-CE2 4.34Å; L393-F397 HydrophobicContact CD1-CD2 4.1Å; L393-F397 HydrophobicContact CD1-CE2 3.59Å; L393-M424 HydrophobicContact CD1-CE 3.68Å; L393-L426 HydrophobicContact CD1-CD1 4.12Å; L393-V431 HydrophobicContact CB-CG1 4.1Å; L393-V431 HydrophobicContact CD2-CG1 4.08Å; L393-R440 PolarHBondContact O-NH1 3.11Å; L393-W442 HydrophobicContact CD2-CH2 4.38Å; L393-W442 HydrophobicContact CD2-CZ2 3.75Å
394	R	84	Confident	88.6	Confident	117 Å²	117	62.2 Å²	62.2	44%	0.442	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	52.3	-167.4	-56.6	-175.9	-179.4	171.8	-0.8	111.1	N390 T435 E438	N390-R394 VanDerWaalsContact O-CA 3.24Å; N390-R394 WeakPolarHBondContact O-CA 3.41Å; N390-R394 PolarHBondContact O-N 3.17Å; R394-T435 PolarHBondContact NH1-OG1 2.9Å; R394-E438 IonicContact CZ-OE1 2.79Å; R394-E438 IonicContact NE-OE1 2.81Å; R394-E438 PolarHBondContact NE-OE1 2.77Å; R394-E438 IonicContact NE-OE2 3.24Å; R394-E438 IonicContact NH2-OE1 3.06Å; R394-E438 PolarHBondContact NH2-OE1 2.92Å; R394-E438 IonicContact NH2-OE2 3.33Å
395	S	83.1	Confident	88.8	Confident	32 Å²	32	61.8 Å²	61.8	22%	0.224	30%	0.298	C	S	.	.	S	Bend	trans	-143.9	167.2	-176.9	-70.2	0	0	0	0	110.5	N390 V431	N390-S395 WeakPolarHBondContact CA-O 3.38Å; N390-S395 WeakPolarHBondContact CB-O 3.32Å; N390-S395 PolarHBondContact O-N 2.98Å; N390-S395 VanDerWaalsContact O-N 3.16Å; N390-S395 PolarHBondContact OD1-O 3.33Å; S395-V431 VanDerWaalsContact OG-CG1 3.32Å; S395-V431 WeakPolarHBondContact OG-CG1 3.38Å
396	C	82.2	Confident	88.9	Confident	131 Å²	131	62.3 Å²	62.3	89%	0.885	30%	0.303	S	S	*	.			trans	-116.4	83.9	-179.6	-63	0	0	0	0	110.2
397	F	84.1	Confident	89.1	Confident	49 Å²	49	66.3 Å²	66.3	22%	0.215	32%	0.321	C	S	.	.			trans	-92.1	154.9	170.6	-60.2	-68	0	0	0	110.8	C386 N390 L393 L401 M424 L426 V431	C386-F397 PolarHBondContact SG-O 3.15Å; N390-F397 PolarHBondContact ND2-N 3.15Å; N390-F397 PolarHBondContact ND2-O 3.36Å; N390-F397 VanDerWaalsContact OD1-CB 3.31Å; N390-F397 WeakPolarHBondContact OD1-CB 3.34Å; N390-F397 VanDerWaalsContact OD1-CD2 3.27Å; N390-F397 WeakPolarHBondContact OD1-CD2 3.34Å; N390-F397 PolarHBondContact OD1-N 3.39Å; L393-F397 HydrophobicContact CB-CE2 4.34Å; L393-F397 HydrophobicContact CD1-CD2 4.1Å; L393-F397 HydrophobicContact CD1-CE2 3.59Å; F397-L401 HydrophobicContact CB-CD1 4.13Å; F397-L401 HydrophobicContact CD1-CD1 3.81Å; F397-L401 HydrophobicContact CG-CD1 4.33Å; F397-M424 HydrophobicContact CB-SD 4.39Å; F397-M424 HydrophobicContact CD2-CE 4.27Å; F397-M424 HydrophobicContact CD2-SD 4.39Å; F397-M424 HydrophobicContact CG-SD 4.3Å; F397-L426 HydrophobicContact CE1-CD2 3.87Å; F397-L426 HydrophobicContact CE2-CD2 4.08Å; F397-L426 HydrophobicContact CZ-CD2 3.62Å; F397-V431 HydrophobicContact CZ-CG2 4.28Å
398	N	84.2	Confident	89.3	Confident	77 Å²	77	61.2 Å²	61.2	41%	0.412	30%	0.298	S	S	.	.			trans	-94.4	145.2	173.6	-174.8	-55.9	0	0	0	110	H400 L401	N398-H400 VanDerWaalsContact CG-CD2 3.48Å; N398-H400 PolarHBondContact O-N 3.11Å; N398-H400 PolarHBondContact OD1-CD2 3.22Å; N398-H400 PolarHBondContact OD1-N 3.5Å; N398-L401 PolarHBondContact O-N 3.31Å
399	E	83.6	Confident	89.4	Confident	44 Å²	44	63.3 Å²	63.3	21%	0.206	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-54.1	-22.1	177	61.4	-96.3	-136.7	0	0	114.7	K382 C386 L401 L402	K382-E399 HydrophobicContact CB-CB 4.14Å; C386-E399 HydrophobicContact CB-CB 4.14Å; C386-E399 PolarHBondContact SG-N 2.95Å; E399-L401 PolarHBondContact O-N 2.79Å; E399-L402 WeakPolarHBondContact O-CB 3.14Å; E399-L402 PolarHBondContact O-N 3.01Å
400	H	85.9	Confident	89.5	Confident	160 Å²	160	64.1 Å²	64.1	74%	0.741	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-62.2	-18.7	175.2	-60.9	-45.3	0	0	0	114.1	N398 L402	N398-H400 VanDerWaalsContact CG-CD2 3.48Å; N398-H400 PolarHBondContact O-N 3.11Å; N398-H400 PolarHBondContact OD1-CD2 3.22Å; N398-H400 PolarHBondContact OD1-N 3.5Å; H400-L402 VanDerWaalsContact C-N 3.29Å
401	L	86.4	Confident	89.4	Confident	91 Å²	91	68.1 Å²	68.1	48%	0.476	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-78.4	-14	175.3	-64.6	178.6	0	0	0	113.1	F397 N398 E399 M424	F397-L401 HydrophobicContact CB-CD1 4.13Å; F397-L401 HydrophobicContact CD1-CD1 3.81Å; F397-L401 HydrophobicContact CG-CD1 4.33Å; N398-L401 PolarHBondContact O-N 3.31Å; E399-L401 PolarHBondContact O-N 2.79Å; L401-M424 HydrophobicContact CB-CG 4.19Å; L401-M424 HydrophobicContact CB-SD 4.33Å
402	L	91.4	Very high	89.3	Confident	10 Å²	10	62.9 Å²	62.9	5%	0.052	32%	0.318	C	S	.	.			trans	-80.4	120	177.9	-64.2	172.8	0	0	0	110.7	C338 K382 L385 C386 E399 H400 Y422 M424	C338-L402 HydrophobicContact CB-CD2 4.44Å; C338-L402 WeakPolarHBondContact SG-CD2 3.3Å; K382-L402 HydrophobicContact CB-CD1 4.44Å; K382-L402 WeakPolarHBondContact O-CD1 3.28Å; L385-L402 HydrophobicContact CB-CD1 4.3Å; L385-L402 HydrophobicContact CD2-CD1 4.32Å; L385-L402 HydrophobicContact CG-CD1 4.35Å; C386-L402 HydrophobicContact CB-CD1 3.92Å; E399-L402 WeakPolarHBondContact O-CB 3.14Å; E399-L402 PolarHBondContact O-N 3.01Å; H400-L402 VanDerWaalsContact C-N 3.29Å; L402-Y422 HydrophobicContact CB-CD1 4.08Å; L402-M424 HydrophobicContact CD2-CB 4.26Å
403	Q	93.1	Very high	89.1	Confident	107 Å²	107	66.6 Å²	66.6	50%	0.5	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.5	175.3	-62.6	-176.4	3.2	0	0	110.3	Y422 S423	Q403-Y422 CarbonylContact O-C 3.34Å; Q403-Y422 VanDerWaalsContact O-CA 3.26Å; Q403-Y422 WeakPolarHBondContact O-CA 3.38Å; Q403-S423 PolarHBondContact N-O 2.85Å; Q403-S423 PolarHBondContact O-N 2.9Å; Q403-S423 PolarHBondContact O-OG 3.15Å
404	Y	94.2	Very high	89	Confident	119 Å²	119	71.9 Å²	71.9	47%	0.467	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.4	173.7	179.3	-108.1	0	0	0	110.8	G406 V420 Y422	Y404-G406 VanDerWaalsContact CZ-CA 3.46Å; Y404-G406 WeakPolarHBondContact OH-CA 3.21Å; Y404-V420 HydrophobicContact CD2-CG1 4.4Å; Y404-V420 HydrophobicContact CE2-CG1 3.89Å; Y404-Y422 HydrophobicContact CD2-CE1 4.15Å; Y404-Y422 HydrophobicContact CD2-CE2 4.35Å
405	V	95.6	Very high	89.2	Confident	25 Å²	25	66.3 Å²	66.3	15%	0.152	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-44.7	-178	-176.2	0	0	0	0	110.9	V421 S423 L463 F464 A467	V405-V421 HydrophobicContact CB-CB 4.23Å; V405-V421 HydrophobicContact CB-CG1 4.01Å; V405-V421 WeakPolarHBondContact CB-O 3.45Å; V405-V421 HydrophobicContact CG1-CG1 4.45Å; V405-V421 HydrophobicContact CG2-CG1 4.27Å; V405-V421 PolarHBondContact N-O 3.1Å; V405-S423 WeakPolarHBondContact CG2-OG 3.15Å; V405-L463 HydrophobicContact CG1-CD2 4.35Å; V405-L463 HydrophobicContact CG1-CG 4.09Å; V405-F464 HydrophobicContact CG2-CD2 4.4Å; V405-A467 HydrophobicContact CG1-CB 3.73Å
406	G	95	Very high	89.7	Confident	10 Å²	10	68.6 Å²	68.6	10%	0.103	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156	-170.5	-176.8	0	0	0	0	0	112.9	Y404 V421	Y404-G406 VanDerWaalsContact CZ-CA 3.46Å; Y404-G406 WeakPolarHBondContact OH-CA 3.21Å; G406-V421 PolarHBondContact N-O 3.13Å; G406-V421 WeakPolarHBondContact O-CB 3.4Å; G406-V421 PolarHBondContact O-N 3.1Å
407	E	96.1	Very high	90.3	Very high	89 Å²	89	62.6 Å²	62.6	42%	0.416	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146.6	175.8	-60.8	-165.2	156.8	0	0	112.4	R334 T418 Y419 V420	R334-E407 IonicContact CZ-OE1 3.51Å; R334-E407 IonicContact NH2-OE1 2.78Å; R334-E407 PolarHBondContact NH2-OE1 3.39Å; E407-T418 HydrophobicContact CB-CG2 4.14Å; E407-T418 HydrophobicContact CG-CG2 4.43Å; E407-Y419 CarbonylContact C-O 3.58Å; E407-Y419 VanDerWaalsContact CA-O 3.24Å; E407-Y419 WeakPolarHBondContact CA-O 3.43Å; E407-V420 HydrophobicContact CG-CG2 4.38Å
408	V	96.4	Very high	90.8	Very high	12 Å²	12	61.5 Å²	61.5	7%	0.073	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	120.7	174.5	174.4	0	0	0	0	109.8	T418 Y419 V421 K459 I460 L463	V408-T418 WeakPolarHBondContact O-CA 3.31Å; V408-Y419 PolarHBondContact N-O 3.31Å; V408-Y419 PolarHBondContact O-N 3.48Å; V408-V421 HydrophobicContact CG2-CG2 4.27Å; V408-K459 HydrophobicContact CG1-CB 3.54Å; V408-K459 HydrophobicContact CG1-CD 3.88Å; V408-K459 HydrophobicContact CG1-CG 4.4Å; V408-I460 HydrophobicContact CB-CG1 4.28Å; V408-I460 HydrophobicContact CG1-CG1 4.49Å; V408-I460 HydrophobicContact CG2-CG1 4.13Å; V408-L463 HydrophobicContact CG2-CB 4.15Å; V408-L463 HydrophobicContact CG2-CD2 3.59Å; V408-L463 HydrophobicContact CG2-CG 4.48Å
409	V	94.3	Very high	91.4	Very high	82 Å²	82	58.6 Å²	58.6	50%	0.497	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.9	172.8	-176.5	0	0	0	0	110.8	I411 T418 K459	V409-I411 HydrophobicContact CG1-CG1 4.44Å; V409-T418 HydrophobicContact CG2-CG2 4.49Å; V409-K459 PolarHBondContact O-NZ 3.49Å
410	H	92.9	Very high	92	Very high	19 Å²	19	56.7 Å²	56.7	9%	0.088	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.3	176.6	-170.1	60.7	0	0	0	110.8	F412 Q417 Y419 T455	H410-F412 AromaticContact CD2-CE1 3.77Å; H410-F412 AromaticContact CD2-CE2 3.6Å; H410-F412 AromaticContact CD2-CZ 3.38Å; H410-F412 WeakPolarHBondContact CD2-CZ 3.2Å; H410-F412 AromaticContact NE2-CE1 3.69Å; H410-F412 AromaticContact NE2-CZ 3.81Å; H410-Q417 PolarHBondContact N-O 2.79Å; H410-Q417 WeakPolarHBondContact O-CA 3.43Å; H410-Q417 WeakPolarHBondContact O-CB 3.2Å; H410-Q417 PolarHBondContact O-N 3.43Å; H410-Q417 VanDerWaalsContact O-O 3.07Å; H410-Y419 HydrophobicContact CB-CD2 4.31Å; H410-Y419 HydrophobicContact CB-CE2 3.83Å; H410-T455 PolarHBondContact CE1-OG1 3.44Å
411	I	89.7	Confident	92.5	Very high	113 Å²	113	49 Å²	49	58%	0.579	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.6	-172.7	-63.6	173.4	0	0	0	109.1	V409	V409-I411 HydrophobicContact CG1-CG1 4.44Å
412	F	88	Confident	93	Very high	29 Å²	29	45 Å²	45	13%	0.127	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	161.7	162.8	-54	-86.2	0	0	0	109.4	L361 L362 H410 H414 I415 Q417	L361-F412 HydrophobicContact CD1-CD1 4.16Å; L361-F412 HydrophobicContact CD1-CE1 4.05Å; L361-F412 HydrophobicContact CD1-CZ 4.33Å; L361-F412 HydrophobicContact CD2-CE2 4.15Å; L361-F412 HydrophobicContact CD2-CZ 4.18Å; L362-F412 HydrophobicContact CD1-CE1 4.23Å; L362-F412 HydrophobicContact CD1-CZ 3.95Å; L362-F412 HydrophobicContact CD2-CE1 4.2Å; L362-F412 HydrophobicContact CG-CE1 4.29Å; L362-F412 HydrophobicContact CG-CZ 4.43Å; H410-F412 AromaticContact CD2-CE1 3.77Å; H410-F412 AromaticContact CD2-CE2 3.6Å; H410-F412 AromaticContact CD2-CZ 3.38Å; H410-F412 WeakPolarHBondContact CD2-CZ 3.2Å; H410-F412 AromaticContact NE2-CE1 3.69Å; H410-F412 AromaticContact NE2-CZ 3.81Å; F412-H414 PolarHBondContact O-N 3.29Å; F412-H414 VanDerWaalsContact O-N 3.07Å; F412-I415 CarbonylContact C-O 3.55Å; F412-I415 WeakPolarHBondContact CA-O 3.39Å; F412-I415 HydrophobicContact CB-CB 4.07Å; F412-I415 HydrophobicContact CB-CG1 4.46Å; F412-I415 WeakPolarHBondContact CB-O 3.49Å; F412-I415 HydrophobicContact CD2-CB 3.98Å; F412-I415 HydrophobicContact CD2-CG2 4.48Å; F412-I415 HydrophobicContact CG-CB 4.44Å; F412-I415 PolarHBondContact N-O 3.22Å; F412-I415 PolarHBondContact O-N 3.08Å; F412-Q417 HydrophobicContact CD2-CB 4.06Å; F412-Q417 HydrophobicContact CE2-CB 3.73Å; F412-Q417 HydrophobicContact CE2-CG 4.23Å
413	S	83.4	Confident	93.2	Very high	81 Å²	81	45 Å²	45	57%	0.566	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.2	-176.8	-40.8	0	0	0	0	114.5	Y142	Y142-S413 PolarHBondContact OH-OG 2.86Å
414	H	84.8	Confident	93.2	Very high	113 Å²	113	40 Å²	40	52%	0.523	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	0.8	-177.3	56.2	-76.6	0	0	0	112.9	R331 F412	R331-H414 WeakPolarHBondContact CG-O 3.19Å; R331-H414 PolarHBondContact N-O 3.29Å; F412-H414 PolarHBondContact O-N 3.29Å; F412-H414 VanDerWaalsContact O-N 3.07Å
415	I	89.3	Confident	93	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	125.8	-174.3	-41.1	178.2	0	0	0	109.6	R331 E333 L361 F412 Q417	R331-I415 HydrophobicContact CG-CB 4.28Å; R331-I415 HydrophobicContact CG-CG1 4.16Å; R331-I415 HydrophobicContact CG-CG2 4.03Å; R331-I415 CarbonylContact O-C 3.45Å; R331-I415 VanDerWaalsContact O-CA 3.32Å; R331-I415 WeakPolarHBondContact O-CA 3.38Å; E333-I415 HydrophobicContact CB-CG2 4.04Å; E333-I415 HydrophobicContact CG-CG2 3.92Å; E333-I415 WeakPolarHBondContact OE2-CG2 3.21Å; L361-I415 HydrophobicContact CD1-CD1 4.36Å; L361-I415 HydrophobicContact CD2-CD1 3.84Å; F412-I415 CarbonylContact C-O 3.55Å; F412-I415 WeakPolarHBondContact CA-O 3.39Å; F412-I415 HydrophobicContact CB-CB 4.07Å; F412-I415 HydrophobicContact CB-CG1 4.46Å; F412-I415 WeakPolarHBondContact CB-O 3.49Å; F412-I415 HydrophobicContact CD2-CB 3.98Å; F412-I415 HydrophobicContact CD2-CG2 4.48Å; F412-I415 HydrophobicContact CG-CB 4.44Å; F412-I415 PolarHBondContact N-O 3.22Å; F412-I415 PolarHBondContact O-N 3.08Å; I415-Q417 HydrophobicContact CG2-CB 4.48Å
416	H	93.3	Very high	92.7	Very high	79 Å²	79	40 Å²	40	37%	0.366	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	104.2	164.7	-68	-178.4	0	0	0	108	P330 R331 A332 E333	P330-H416 WeakPolarHBondContact CG-NE2 3.34Å; R331-H416 PolarHBondContact O-N 3.09Å; A332-H416 WeakPolarHBondContact CA-O 3.32Å; E333-H416 PolarHBondContact N-O 3.08Å
417	Q	93.8	Very high	92.1	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.023	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.1	-173.9	-179	70.6	53.6	0	0	110.4	E333 T335 H410 F412 I415 Y419	E333-Q417 CarbonylContact O-C 3.39Å; E333-Q417 WeakPolarHBondContact O-CA 3.47Å; T335-Q417 PolarHBondContact OG1-NE2 3.32Å; H410-Q417 PolarHBondContact N-O 2.79Å; H410-Q417 WeakPolarHBondContact O-CA 3.43Å; H410-Q417 WeakPolarHBondContact O-CB 3.2Å; H410-Q417 PolarHBondContact O-N 3.43Å; H410-Q417 VanDerWaalsContact O-O 3.07Å; F412-Q417 HydrophobicContact CD2-CB 4.06Å; F412-Q417 HydrophobicContact CE2-CB 3.73Å; F412-Q417 HydrophobicContact CE2-CG 4.23Å; I415-Q417 HydrophobicContact CG2-CB 4.48Å; Q417-Y419 HydrophobicContact CB-CE2 4.49Å; Q417-Y419 HydrophobicContact CG-CD2 4.11Å; Q417-Y419 HydrophobicContact CG-CE1 4.12Å; Q417-Y419 HydrophobicContact CG-CE2 3.62Å
418	T	95.8	Very high	90.9	Very high	27 Å²	27	50.1 Å²	50.1	17%	0.166	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.5	168.5	-59.6	0	0	0	0	109.1	E333 R334 T335 E407 V408 V409	E333-T418 PolarHBondContact O-N 3.22Å; R334-T418 CarbonylContact C-O 3.44Å; R334-T418 VanDerWaalsContact CA-O 3.3Å; R334-T418 WeakPolarHBondContact CA-O 3.48Å; T335-T418 PolarHBondContact N-O 2.91Å; E407-T418 HydrophobicContact CB-CG2 4.14Å; E407-T418 HydrophobicContact CG-CG2 4.43Å; V408-T418 WeakPolarHBondContact O-CA 3.31Å; V409-T418 HydrophobicContact CG2-CG2 4.49Å
419	Y	96.6	Very high	89.3	Confident	15 Å²	15	54.8 Å²	54.8	6%	0.059	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.1	171.8	-62.9	-83.2	0	0	0	109.2	T335 E407 V408 H410 Q417 I460	T335-Y419 HydrophobicContact CG2-CD1 4.32Å; T335-Y419 HydrophobicContact CG2-CE1 4.47Å; T335-Y419 CarbonylContact O-C 3.17Å; T335-Y419 WeakPolarHBondContact O-CA 3.45Å; E407-Y419 CarbonylContact C-O 3.58Å; E407-Y419 VanDerWaalsContact CA-O 3.24Å; E407-Y419 WeakPolarHBondContact CA-O 3.43Å; V408-Y419 PolarHBondContact N-O 3.31Å; V408-Y419 PolarHBondContact O-N 3.48Å; H410-Y419 HydrophobicContact CB-CD2 4.31Å; H410-Y419 HydrophobicContact CB-CE2 3.83Å; Q417-Y419 HydrophobicContact CB-CE2 4.49Å; Q417-Y419 HydrophobicContact CG-CD2 4.11Å; Q417-Y419 HydrophobicContact CG-CE1 4.12Å; Q417-Y419 HydrophobicContact CG-CE2 3.62Å; Y419-I460 HydrophobicContact CD1-CD1 3.92Å; Y419-I460 HydrophobicContact CD2-CD1 4.21Å; Y419-I460 HydrophobicContact CE1-CD1 4.5Å; Y419-I460 HydrophobicContact CG-CD1 3.75Å; Y419-I460 HydrophobicContact CG-CG1 4.46Å
420	V	95.8	Very high	87.4	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	109.8	172.8	-175.4	0	0	0	0	107.1	T335 L336 T337 Y404 E407 Y422	T335-V420 PolarHBondContact O-N 3.44Å; L336-V420 WeakPolarHBondContact CA-O 3.5Å; L336-V420 HydrophobicContact CD2-CB 4Å; L336-V420 HydrophobicContact CD2-CG1 4.04Å; T337-V420 PolarHBondContact N-O 2.71Å; Y404-V420 HydrophobicContact CD2-CG1 4.4Å; Y404-V420 HydrophobicContact CE2-CG1 3.89Å; E407-V420 HydrophobicContact CG-CG2 4.38Å; V420-Y422 HydrophobicContact CG1-CD2 4.49Å; V420-Y422 HydrophobicContact CG1-CE2 3.78Å
421	V	97.1	Very high	85.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.4	-165.2	-174.2	0	0	0	0	110.7	T337 V339 V405 G406 V408 I460 L463	T337-V421 WeakPolarHBondContact O-CA 3.2Å; V339-V421 HydrophobicContact CG2-CG1 4.04Å; V405-V421 HydrophobicContact CB-CB 4.23Å; V405-V421 HydrophobicContact CB-CG1 4.01Å; V405-V421 WeakPolarHBondContact CB-O 3.45Å; V405-V421 HydrophobicContact CG1-CG1 4.45Å; V405-V421 HydrophobicContact CG2-CG1 4.27Å; V405-V421 PolarHBondContact N-O 3.1Å; G406-V421 PolarHBondContact N-O 3.13Å; G406-V421 WeakPolarHBondContact O-CB 3.4Å; G406-V421 PolarHBondContact O-N 3.1Å; V408-V421 HydrophobicContact CG2-CG2 4.27Å; V421-I460 HydrophobicContact CG1-CG2 3.78Å; V421-I460 HydrophobicContact CG2-CB 4.48Å; V421-I460 HydrophobicContact CG2-CG1 4.03Å; V421-I460 HydrophobicContact CG2-CG2 3.93Å; V421-L463 HydrophobicContact CB-CD2 4.31Å; V421-L463 HydrophobicContact CG2-CD2 4.13Å
422	Y	96.4	Very high	83.9	Confident	5 Å²	5	52.7 Å²	52.7	2%	0.02	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	163.5	169	-69.5	-94.2	0	0	0	110.1	L336 T337 C338 V339 K382 L385 L402 Q403 Y404 V420	L336-Y422 HydrophobicContact CD2-CD2 4.46Å; L336-Y422 HydrophobicContact CD2-CE2 3.76Å; T337-Y422 PolarHBondContact O-N 2.88Å; C338-Y422 CarbonylContact C-O 3.55Å; C338-Y422 WeakPolarHBondContact CA-O 3.5Å; V339-Y422 PolarHBondContact N-O 3.24Å; K382-Y422 HydrophobicContact CD-CE1 4.37Å; K382-Y422 HydrophobicContact CG-CE1 3.94Å; L385-Y422 HydrophobicContact CD2-CD2 3.48Å; L385-Y422 VanDerWaalsContact CD2-CD2 3.48Å; L385-Y422 HydrophobicContact CD2-CE2 4.33Å; L385-Y422 HydrophobicContact CD2-CG 3.77Å; L402-Y422 HydrophobicContact CB-CD1 4.08Å; Q403-Y422 CarbonylContact O-C 3.34Å; Q403-Y422 VanDerWaalsContact O-CA 3.26Å; Q403-Y422 WeakPolarHBondContact O-CA 3.38Å; Y404-Y422 HydrophobicContact CD2-CE1 4.15Å; Y404-Y422 HydrophobicContact CD2-CE2 4.35Å; V420-Y422 HydrophobicContact CG1-CD2 4.49Å; V420-Y422 HydrophobicContact CG1-CE2 3.78Å
423	S	95.3	Very high	82	Confident	10 Å²	10	59.6 Å²	59.6	7%	0.07	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.9	175.3	56.5	0	0	0	0	111.6	V339 Q403 V405	V339-S423 CarbonylContact O-C 3.56Å; V339-S423 VanDerWaalsContact O-CA 3.28Å; V339-S423 WeakPolarHBondContact O-CA 3.26Å; Q403-S423 PolarHBondContact N-O 2.85Å; Q403-S423 PolarHBondContact O-N 2.9Å; Q403-S423 PolarHBondContact O-OG 3.15Å; V405-S423 WeakPolarHBondContact CG2-OG 3.15Å
424	M	93.2	Very high	80.5	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	122.4	174.9	-174.3	178.4	69.5	0	0	109.4	V339 V340 T341 V389 L393 F397 L401 L402 L426	V339-M424 PolarHBondContact O-N 3.27Å; V340-M424 CarbonylContact C-O 3.56Å; V340-M424 VanDerWaalsContact CA-O 3.31Å; V340-M424 WeakPolarHBondContact CA-O 3.26Å; V340-M424 HydrophobicContact CB-CE 4.32Å; V340-M424 HydrophobicContact CG1-CE 3.51Å; V340-M424 HydrophobicContact CG2-CB 4.46Å; V340-M424 HydrophobicContact CG2-CE 3.86Å; T341-M424 PolarHBondContact N-O 3.37Å; V389-M424 HydrophobicContact CG1-CE 3.3Å; V389-M424 HydrophobicContact CG1-SD 4.19Å; L393-M424 HydrophobicContact CD1-CE 3.68Å; F397-M424 HydrophobicContact CB-SD 4.39Å; F397-M424 HydrophobicContact CD2-CE 4.27Å; F397-M424 HydrophobicContact CD2-SD 4.39Å; F397-M424 HydrophobicContact CG-SD 4.3Å; L401-M424 HydrophobicContact CB-CG 4.19Å; L401-M424 HydrophobicContact CB-SD 4.33Å; L402-M424 HydrophobicContact CD2-CB 4.26Å; M424-L426 HydrophobicContact CE-CD2 3.74Å; M424-L426 HydrophobicContact CE-CG 4.35Å; M424-L426 HydrophobicContact CG-CD2 4.45Å; M424-L426 HydrophobicContact SD-CD2 4.32Å
425	R	91.2	Very high	78.5	Confident	133 Å²	133	62.9 Å²	62.9	50%	0.502	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.1	178.3	-173.3	175.8	-90.1	152.5	3.2	109.6	E349 D468	E349-R425 IonicContact OE1-CZ 2.71Å; E349-R425 IonicContact OE1-NE 2.72Å; E349-R425 PolarHBondContact OE1-NE 3.36Å; E349-R425 IonicContact OE1-NH2 3.45Å; E349-R425 PolarHBondContact OE1-NH2 2.93Å; E349-R425 IonicContact OE2-NH2 3.9Å; R425-D468 IonicContact CZ-OD1 2.75Å; R425-D468 IonicContact NH1-OD1 3.51Å; R425-D468 IonicContact NH2-OD1 3.27Å; R425-D468 PolarHBondContact NH2-OD1 3.25Å; R425-D468 IonicContact NH2-OD2 3.47Å; R425-D468 PolarHBondContact NH2-OD2 3.36Å
426	L	89.1	Confident	76.5	Confident	12 Å²	12	69.2 Å²	69.2	6%	0.063	35%	0.352	C	S	.	.			trans	-83.4	141.1	178	-60.7	-178.4	0	0	0	110.6	V340 T341 R342 P343 L393 F397 M424 W442	V340-L426 HydrophobicContact CG1-CD1 4.01Å; V340-L426 HydrophobicContact CG1-CG 4.05Å; T341-L426 PolarHBondContact O-N 3.42Å; R342-L426 HydrophobicContact CB-CB 4.19Å; P343-L426 WeakPolarHBondContact CD-O 3.42Å; L393-L426 HydrophobicContact CD1-CD1 4.12Å; F397-L426 HydrophobicContact CE1-CD2 3.87Å; F397-L426 HydrophobicContact CE2-CD2 4.08Å; F397-L426 HydrophobicContact CZ-CD2 3.62Å; M424-L426 HydrophobicContact CE-CD2 3.74Å; M424-L426 HydrophobicContact CE-CG 4.35Å; M424-L426 HydrophobicContact CG-CD2 4.45Å; M424-L426 HydrophobicContact SD-CD2 4.32Å; L426-W442 HydrophobicContact CD1-CH2 3.85Å; L426-W442 HydrophobicContact CD1-CZ2 4.27Å
427	K	81.2	Confident	74.4	Confident	210 Å²	210	70.9 Å²	70.9	91%	0.913	37%	0.368	S	S	*	.	S	Bend	trans	-90.8	-22.3	179.1	-66.6	-175	179.9	179.4	0	113.8
428	D	70.9	Confident	72.7	Confident	102 Å²	102	73.9 Å²	73.9	55%	0.545	38%	0.382	S	S	.	.			trans	-120.2	143.7	-171.3	-161.9	-15.5	0	0	0	111.2	A430	D428-A430 WeakPolarHBondContact OD1-CB 3.32Å; D428-A430 PolarHBondContact OD1-N 2.93Å
429	R	63.8	Low	71.9	Confident	110 Å²	110	77.7 Å²	77.7	42%	0.415	40%	0.396	S	S	.	.	S	Bend	trans	-79.8	-17.7	172.7	-71.9	-171.9	178.5	165.4	11	112.6	P343 G344 E345 V431 T432	P343-R429 PolarHBondContact O-NE 3.47Å; G344-R429 VanDerWaalsContact C-NH2 3.27Å; G344-R429 PolarHBondContact O-NH2 3.08Å; E345-R429 VanDerWaalsContact CA-CZ 3.49Å; E345-R429 PolarHBondContact O-NH2 3.39Å; R429-V431 PolarHBondContact O-N 3.25Å; R429-T432 PolarHBondContact O-OG1 3.04Å; R429-T432 VanDerWaalsContact O-OG1 3.08Å
430	A	53.8	Low	71.5	Confident	78 Å²	78	79.1 Å²	79.1	65%	0.645	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-5.3	-168.4	0	0	0	0	0	116.6	D428 T432	D428-A430 WeakPolarHBondContact OD1-CB 3.32Å; D428-A430 PolarHBondContact OD1-N 2.93Å; A430-T432 PolarHBondContact O-N 3.39Å
431	V	58	Low	71.2	Confident	34 Å²	34	81.6 Å²	81.6	21%	0.206	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-1	-179.1	-177.8	0	0	0	0	113.2	L393 S395 F397 R429	L393-V431 HydrophobicContact CB-CG1 4.1Å; L393-V431 HydrophobicContact CD2-CG1 4.08Å; S395-V431 VanDerWaalsContact OG-CG1 3.32Å; S395-V431 WeakPolarHBondContact OG-CG1 3.38Å; F397-V431 HydrophobicContact CZ-CG2 4.28Å; R429-V431 PolarHBondContact O-N 3.25Å
432	T	50.8	Low	70.9	Confident	57 Å²	57	83.4 Å²	83.4	35%	0.35	42%	0.42	S	S	.	.			trans	-115	91.8	-173.2	36.7	0	0	0	0	113.9	R342 R429 A430	R342-T432 PolarHBondContact NH1-OG1 3.23Å; R342-T432 VanDerWaalsContact NH1-OG1 3.15Å; R429-T432 PolarHBondContact O-OG1 3.04Å; R429-T432 VanDerWaalsContact O-OG1 3.08Å; A430-T432 PolarHBondContact O-N 3.39Å
433	Q	49.4	Very low	70.7	Confident	175 Å²	175	84.5 Å²	84.5	82%	0.818	43%	0.425	S	S	*	.			trans	-100.9	120.3	143.3	-78.7	-171.6	1.5	0	0	109	T435	Q433-T435 PolarHBondContact O-N 3.47Å
434	Q	51.9	Low	70.5	Confident	192 Å²	192	87.2 Å²	87.2	90%	0.897	44%	0.442	S	S	*	.			trans	-67.9	118.5	177	-73.6	173.3	-1.9	0	0	109.1
435	T	42.6	Very low	70.3	Confident	71 Å²	71	90.7 Å²	90.7	44%	0.436	46%	0.455	S	S	.	.			trans	-109.2	135.3	153.6	1.1	0	0	0	0	107.2	R394 Q433 T437	R394-T435 PolarHBondContact NH1-OG1 2.9Å; Q433-T435 PolarHBondContact O-N 3.47Å; T435-T437 PolarHBondContact O-N 3.2Å
436	P	45.7	Very low	70.2	Confident	133 Å²	133	88 Å²	88	86%	0.864	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	7.1	-167.7	-16.9	31.1	0	0	0	115.5
437	T	51.1	Low	70.2	Confident	114 Å²	114	88.3 Å²	88.3	70%	0.699	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-12.6	-164.7	36.6	0	0	0	0	114.8	T435	T435-T437 PolarHBondContact O-N 3.2Å
438	E	56.2	Low	70.5	Confident	67 Å²	67	78.6 Å²	78.6	31%	0.313	42%	0.419	S	S	.	.	S	Bend	trans	-115.9	122.9	177.3	-78.5	170.9	-154.6	0	0	111.3	R394 R440	R394-E438 IonicContact CZ-OE1 2.79Å; R394-E438 IonicContact NE-OE1 2.81Å; R394-E438 PolarHBondContact NE-OE1 2.77Å; R394-E438 IonicContact NE-OE2 3.24Å; R394-E438 IonicContact NH2-OE1 3.06Å; R394-E438 PolarHBondContact NH2-OE1 2.92Å; R394-E438 IonicContact NH2-OE2 3.33Å; E438-R440 HydrophobicContact CB-CG 4.47Å; E438-R440 PolarHBondContact O-N 2.99Å
439	K	80.2	Confident	71.3	Confident	107 Å²	107	79.8 Å²	79.8	47%	0.465	42%	0.421	S	S	.	.			trans	-69.1	62.8	176.6	-64	163.8	157	-129	0	111.2	Q355 N358 W366	Q355-K439 HydrophobicContact CB-CB 3.63Å; Q355-K439 HydrophobicContact CB-CD 4.33Å; Q355-K439 HydrophobicContact CB-CG 4.49Å; Q355-K439 PolarHBondContact N-O 2.97Å; N358-K439 PolarHBondContact OD1-NZ 3.45Å; W366-K439 WeakPolarHBondContact CZ3-O 3.33Å
440	R	87.8	Confident	72.3	Confident	45 Å²	45	81.7 Å²	81.7	17%	0.17	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147	175.6	69.3	-179.4	-176.8	167.7	3.2	109.9	L353 V354 V392 L393 E438	L353-R440 CarbonylContact O-C 3.6Å; L353-R440 VanDerWaalsContact O-CA 3.27Å; L353-R440 WeakPolarHBondContact O-CA 3.38Å; V354-R440 HydrophobicContact CG1-CB 4.23Å; V392-R440 WeakPolarHBondContact O-CD 3.49Å; V392-R440 PolarHBondContact O-NH1 3Å; L393-R440 PolarHBondContact O-NH1 3.11Å; E438-R440 HydrophobicContact CB-CG 4.47Å; E438-R440 PolarHBondContact O-N 2.99Å
441	Q	89.8	Confident	73.9	Confident	57 Å²	57	78.2 Å²	78.2	27%	0.266	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	157.9	175.5	67.6	179.9	-20.7	0	0	111.9	L353 W366 L443	L353-Q441 HydrophobicContact CB-CG 4.35Å; L353-Q441 PolarHBondContact N-O 3.36Å; L353-Q441 PolarHBondContact O-N 3.3Å; W366-Q441 HydrophobicContact CD2-CG 4.43Å; W366-Q441 HydrophobicContact CE3-CG 3.9Å; W366-Q441 HydrophobicContact CH2-CB 4.25Å; W366-Q441 HydrophobicContact CH2-CG 3.73Å; W366-Q441 HydrophobicContact CZ2-CG 4.29Å; W366-Q441 HydrophobicContact CZ3-CB 4.24Å; W366-Q441 HydrophobicContact CZ3-CG 3.53Å; Q441-L443 HydrophobicContact CG-CD2 4.2Å; Q441-L443 HydrophobicContact CG-CG 4.04Å
442	W	91.1	Very high	75.4	Confident	38 Å²	38	76.8 Å²	76.8	14%	0.144	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124	169.8	-69.7	94.5	0	0	0	108.4	V340 R342 E350 Y351 L352 L393 L426	V340-W442 HydrophobicContact CG1-CH2 4Å; R342-W442 HydrophobicContact CB-CH2 4.1Å; R342-W442 HydrophobicContact CB-CZ3 3.92Å; R342-W442 HydrophobicContact CG-CD2 4.22Å; R342-W442 HydrophobicContact CG-CE3 3.65Å; R342-W442 HydrophobicContact CG-CH2 3.97Å; R342-W442 HydrophobicContact CG-CZ2 4.49Å; R342-W442 HydrophobicContact CG-CZ3 3.51Å; R342-W442 VanDerWaalsContact CZ-CD1 3.43Å; R342-W442 VanDerWaalsContact CZ-CG 3.41Å; R342-W442 VanDerWaalsContact NE-CD2 3.25Å; E350-W442 HydrophobicContact CB-CB 4.29Å; E350-W442 HydrophobicContact CB-CE3 4.01Å; Y351-W442 WeakPolarHBondContact O-CA 3.41Å; L352-W442 HydrophobicContact CB-CD2 4.38Å; L352-W442 HydrophobicContact CB-CE3 4.04Å; L352-W442 HydrophobicContact CB-CH2 3.8Å; L352-W442 HydrophobicContact CB-CZ2 4.15Å; L352-W442 HydrophobicContact CB-CZ3 3.73Å; L352-W442 HydrophobicContact CD1-CD2 4.25Å; L352-W442 HydrophobicContact CD1-CH2 4.46Å; L352-W442 HydrophobicContact CD1-CZ2 3.94Å; L352-W442 HydrophobicContact CG-CZ2 4.45Å; L393-W442 HydrophobicContact CD2-CH2 4.38Å; L393-W442 HydrophobicContact CD2-CZ2 3.75Å; L426-W442 HydrophobicContact CD1-CH2 3.85Å; L426-W442 HydrophobicContact CD1-CZ2 4.27Å
443	L	91.2	Very high	77.3	Confident	27 Å²	27	74.2 Å²	74.2	14%	0.141	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.3	177.4	-66.5	-172.1	0	0	0	110.9	E350 Y351 L353 Q441 A451	E350-L443 CarbonylContact C-O 3.55Å; E350-L443 WeakPolarHBondContact CA-O 3.41Å; Y351-L443 WeakPolarHBondContact CD2-O 3.5Å; Y351-L443 PolarHBondContact N-O 3.44Å; Y351-L443 PolarHBondContact O-N 2.97Å; L353-L443 HydrophobicContact CD1-CB 4.21Å; L353-L443 HydrophobicContact CD1-CD1 3.39Å; L353-L443 HydrophobicContact CD1-CG 3.84Å; Q441-L443 HydrophobicContact CG-CD2 4.2Å; Q441-L443 HydrophobicContact CG-CG 4.04Å; L443-A451 HydrophobicContact CD1-CB 3.64Å
444	T	92.1	Very high	79.3	Confident	67 Å²	67	66.3 Å²	66.3	41%	0.411	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	167.3	165.3	61.8	0	0	0	0	110.3	E350 G447 L448	E350-T444 HydrophobicContact CG-CG2 4.26Å; T444-G447 PolarHBondContact O-N 2.78Å; T444-G447 VanDerWaalsContact O-N 3.15Å; T444-G447 PolarHBondContact OG1-N 3.2Å; T444-L448 PolarHBondContact O-N 3.26Å
445	R	89.2	Confident	81.1	Confident	76 Å²	76	60.3 Å²	60.3	29%	0.287	32%	0.323	S	S	.	.	H	α-helix	trans	-54.6	-47.3	176.5	178.6	58.3	175.4	-127.5	0.9	113.8	Y351 L448 Q449 D465	Y351-R445 HydrophobicContact CE2-CB 4.09Å; R445-L448 PolarHBondContact O-N 3.39Å; R445-Q449 PolarHBondContact O-N 2.99Å; R445-D465 IonicContact CZ-OD1 3.84Å; R445-D465 IonicContact CZ-OD2 3.18Å; R445-D465 IonicContact NH1-OD1 3.98Å; R445-D465 PolarHBondContact NH1-OD1 3.11Å; R445-D465 IonicContact NH1-OD2 2.93Å; R445-D465 PolarHBondContact NH1-OD2 3.35Å; R445-D465 IonicContact NH2-OD1 2.76Å; R445-D465 IonicContact NH2-OD2 3.2Å; R445-D465 PolarHBondContact NH2-OD2 3.44Å
446	P	88.6	Confident	83.5	Confident	76 Å²	76	57 Å²	57	49%	0.494	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-44	173.5	-24.3	35.5	0	0	0	112.6	L448 Q449 E450	P446-L448 VanDerWaalsContact C-N 3.27Å; P446-L448 PolarHBondContact O-N 2.97Å; P446-Q449 WeakPolarHBondContact O-CB 3.4Å; P446-Q449 PolarHBondContact O-N 2.78Å; P446-E450 PolarHBondContact O-N 3Å
447	G	89.2	Confident	85.8	Confident	19 Å²	19	50.9 Å²	50.9	20%	0.196	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-37	178.7	0	0	0	0	0	113	T444 Q449 E450 A451	T444-G447 PolarHBondContact O-N 2.78Å; T444-G447 VanDerWaalsContact O-N 3.15Å; T444-G447 PolarHBondContact OG1-N 3.2Å; G447-Q449 VanDerWaalsContact C-N 3.31Å; G447-Q449 PolarHBondContact O-N 3.3Å; G447-E450 PolarHBondContact O-N 2.99Å; G447-A451 WeakPolarHBondContact O-CB 3.5Å; G447-A451 PolarHBondContact O-N 2.76Å
448	L	88.4	Confident	87.8	Confident	6 Å²	6	50 Å²	50	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-31.9	175.3	-178.6	65.7	0	0	0	113.2	Y351 L353 F368 T444 R445 P446 V453 L457 V461	Y351-L448 HydrophobicContact CD2-CD2 4.14Å; Y351-L448 HydrophobicContact CG-CD2 4.16Å; L353-L448 HydrophobicContact CD1-CD1 3.65Å; L353-L448 HydrophobicContact CD2-CD1 3.97Å; L353-L448 HydrophobicContact CG-CD1 4.28Å; F368-L448 HydrophobicContact CZ-CD2 4.36Å; T444-L448 PolarHBondContact O-N 3.26Å; R445-L448 PolarHBondContact O-N 3.39Å; P446-L448 VanDerWaalsContact C-N 3.27Å; P446-L448 PolarHBondContact O-N 2.97Å; L448-V453 HydrophobicContact CD1-CG1 4.29Å; L448-L457 HydrophobicContact CD1-CD2 3.99Å; L448-V461 HydrophobicContact CD2-CG1 4.23Å; L448-V461 HydrophobicContact CD2-CG2 3.61Å; L448-V461 HydrophobicContact CG-CG2 4.47Å
449	Q	85.9	Confident	89.6	Confident	126 Å²	126	51.6 Å²	51.6	59%	0.589	26%	0.255	S	S	*	.	H	α-helix	trans	-72.1	-33.9	178.4	-69.4	177.6	-24.4	0	0	112.1	R445 P446 G447	R445-Q449 PolarHBondContact O-N 2.99Å; P446-Q449 WeakPolarHBondContact O-CB 3.4Å; P446-Q449 PolarHBondContact O-N 2.78Å; G447-Q449 VanDerWaalsContact C-N 3.31Å; G447-Q449 PolarHBondContact O-N 3.3Å
450	E	85.6	Confident	90.3	Very high	150 Å²	150	46.7 Å²	46.7	70%	0.701	23%	0.233	S	C	*	.	H	α-helix	trans	-84.8	-22.1	178.2	-65.3	178.2	-180	0	0	112.9	P446 G447	P446-E450 PolarHBondContact O-N 3Å; G447-E450 PolarHBondContact O-N 2.99Å
451	A	86.8	Confident	90.6	Very high	6 Å²	6	45 Å²	45	5%	0.05	23%	0.228	C	C	.	.	S	Bend	trans	-61.2	147.3	179.1	0	0	0	0	0	112.6	L443 G447 V453	L443-A451 HydrophobicContact CD1-CB 3.64Å; G447-A451 WeakPolarHBondContact O-CB 3.5Å; G447-A451 PolarHBondContact O-N 2.76Å; A451-V453 VanDerWaalsContact C-N 3.26Å; A451-V453 HydrophobicContact CB-CG1 3.96Å; A451-V453 PolarHBondContact O-N 2.97Å
452	A	90.1	Very high	90.8	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.033	25%	0.247	C	C	.	.			trans	-72	81	173.3	0	0	0	0	0	111	N134 Q135 L365 W366	N134-A452 HydrophobicContact CB-CB 3.62Å; Q135-A452 HydrophobicContact CG-CB 4.41Å; L365-A452 WeakPolarHBondContact CA-O 3.46Å; L365-A452 WeakPolarHBondContact CB-O 3.42Å; L365-A452 HydrophobicContact CD2-CB 4.01Å; W366-A452 PolarHBondContact N-O 3.42Å
453	V	91.1	Very high	91	Very high	2 Å²	2	50 Å²	50	1%	0.012	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-114.5	156.2	-179.6	-61.2	0	0	0	0	111.4	Y143 W366 L448 A451 L457 K458	Y143-V453 PolarHBondContact OH-O 3.32Å; W366-V453 HydrophobicContact CB-CG1 3.92Å; L448-V453 HydrophobicContact CD1-CG1 4.29Å; A451-V453 VanDerWaalsContact C-N 3.26Å; A451-V453 HydrophobicContact CB-CG1 3.96Å; A451-V453 PolarHBondContact O-N 2.97Å; V453-L457 HydrophobicContact CB-CB 4.23Å; V453-L457 HydrophobicContact CB-CD1 4.39Å; V453-L457 HydrophobicContact CB-CD2 3.91Å; V453-L457 HydrophobicContact CB-CG 4.4Å; V453-L457 HydrophobicContact CG1-CD1 4.32Å; V453-L457 HydrophobicContact CG1-CD2 4Å; V453-L457 HydrophobicContact CG2-CD2 4.06Å; V453-K458 HydrophobicContact CG2-CG 3.93Å
454	S	91.3	Very high	91.1	Very high	10 Å²	10	49.2 Å²	49.2	7%	0.07	25%	0.247	C	C	.	.			trans	-70.3	156.6	176.1	75.9	0	0	0	0	112	G456 L457 K458	S454-G456 PolarHBondContact O-N 2.76Å; S454-G456 PolarHBondContact OG-N 2.83Å; S454-L457 PolarHBondContact O-N 3.48Å; S454-L457 VanDerWaalsContact O-N 3.11Å; S454-L457 PolarHBondContact OG-N 3.03Å; S454-K458 PolarHBondContact O-N 3.31Å; S454-K458 VanDerWaalsContact O-N 3.11Å
455	T	90.3	Very high	91.1	Very high	66 Å²	66	47.8 Å²	47.8	41%	0.405	24%	0.238	S	C	.	.	H	α-helix	trans	-64.3	-27.5	171.2	49.5	0	0	0	0	111.8	H410 K458 K459	H410-T455 PolarHBondContact CE1-OG1 3.44Å; T455-K458 PolarHBondContact O-N 3.02Å; T455-K459 WeakPolarHBondContact O-CG 3.48Å; T455-K459 PolarHBondContact O-N 3.1Å; T455-K459 VanDerWaalsContact O-N 3.16Å
456	G	92.1	Very high	91.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-47.8	168	0	0	0	0	0	112.1	S454 K458 K459 I460	S454-G456 PolarHBondContact O-N 2.76Å; S454-G456 PolarHBondContact OG-N 2.83Å; G456-K458 PolarHBondContact O-N 3.1Å; G456-K459 WeakPolarHBondContact O-CB 3.36Å; G456-K459 PolarHBondContact O-N 3.21Å; G456-K459 VanDerWaalsContact O-N 3.14Å; G456-I460 WeakPolarHBondContact O-CG1 3.28Å; G456-I460 PolarHBondContact O-N 3.37Å; G456-I460 VanDerWaalsContact O-N 3.09Å
457	L	93.6	Very high	91.2	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-41	176.9	-169.9	146.6	0	0	0	112.2	L353 E367 F368 L448 V453 S454 K459 I460 V461	L353-L457 HydrophobicContact CD2-CD1 4.14Å; E367-L457 VanDerWaalsContact CA-CD1 3.45Å; E367-L457 HydrophobicContact CB-CD1 4.24Å; F368-L457 HydrophobicContact CD2-CD1 3.76Å; F368-L457 HydrophobicContact CD2-CD2 4.4Å; F368-L457 HydrophobicContact CD2-CG 3.81Å; F368-L457 HydrophobicContact CE2-CD1 4.02Å; F368-L457 HydrophobicContact CE2-CD2 3.83Å; F368-L457 HydrophobicContact CE2-CG 3.69Å; F368-L457 HydrophobicContact CG-CD1 4.23Å; F368-L457 HydrophobicContact CZ-CD2 4.24Å; L448-L457 HydrophobicContact CD1-CD2 3.99Å; V453-L457 HydrophobicContact CB-CB 4.23Å; V453-L457 HydrophobicContact CB-CD1 4.39Å; V453-L457 HydrophobicContact CB-CD2 3.91Å; V453-L457 HydrophobicContact CB-CG 4.4Å; V453-L457 HydrophobicContact CG1-CD1 4.32Å; V453-L457 HydrophobicContact CG1-CD2 4Å; V453-L457 HydrophobicContact CG2-CD2 4.06Å; S454-L457 PolarHBondContact O-N 3.48Å; S454-L457 VanDerWaalsContact O-N 3.11Å; S454-L457 PolarHBondContact OG-N 3.03Å; L457-K459 PolarHBondContact O-N 3.38Å; L457-I460 WeakPolarHBondContact O-CA 3.45Å; L457-I460 WeakPolarHBondContact O-CB 3.42Å; L457-I460 PolarHBondContact O-N 3.2Å; L457-V461 HydrophobicContact CD2-CG2 3.77Å; L457-V461 WeakPolarHBondContact O-CG2 3.5Å; L457-V461 PolarHBondContact O-N 3.48Å
458	K	92.7	Very high	90.9	Very high	95 Å²	95	45.9 Å²	45.9	41%	0.413	23%	0.231	S	C	.	.	H	α-helix	trans	-57.5	-35.7	174.9	-64.7	-175	-179.4	-170.8	0	112.2	V453 S454 T455 G456 K462	V453-K458 HydrophobicContact CG2-CG 3.93Å; S454-K458 PolarHBondContact O-N 3.31Å; S454-K458 VanDerWaalsContact O-N 3.11Å; T455-K458 PolarHBondContact O-N 3.02Å; G456-K458 PolarHBondContact O-N 3.1Å; K458-K462 PolarHBondContact O-N 2.95Å
459	K	94.3	Very high	90.6	Very high	101 Å²	101	48.8 Å²	48.8	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-69	-39.3	173.2	-67.2	179	-176.5	-167	0	112.5	V408 V409 T455 G456 L457 V461 K462 L463	V408-K459 HydrophobicContact CG1-CB 3.54Å; V408-K459 HydrophobicContact CG1-CD 3.88Å; V408-K459 HydrophobicContact CG1-CG 4.4Å; V409-K459 PolarHBondContact O-NZ 3.49Å; T455-K459 WeakPolarHBondContact O-CG 3.48Å; T455-K459 PolarHBondContact O-N 3.1Å; T455-K459 VanDerWaalsContact O-N 3.16Å; G456-K459 WeakPolarHBondContact O-CB 3.36Å; G456-K459 PolarHBondContact O-N 3.21Å; G456-K459 VanDerWaalsContact O-N 3.14Å; L457-K459 PolarHBondContact O-N 3.38Å; K459-V461 VanDerWaalsContact C-N 3.35Å; K459-K462 PolarHBondContact O-N 3.43Å; K459-L463 PolarHBondContact O-N 2.85Å
460	I	96.1	Very high	90.1	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-46	175.7	-65.1	171.6	0	0	0	110.5	T337 V339 F368 V408 Y419 V421 G456 L457 K462 L463 F464	T337-I460 HydrophobicContact CG2-CD1 4.05Å; V339-I460 HydrophobicContact CG2-CG2 3.83Å; F368-I460 HydrophobicContact CD2-CG2 3.93Å; F368-I460 HydrophobicContact CE2-CB 4.42Å; F368-I460 HydrophobicContact CE2-CG2 3.88Å; V408-I460 HydrophobicContact CB-CG1 4.28Å; V408-I460 HydrophobicContact CG1-CG1 4.49Å; V408-I460 HydrophobicContact CG2-CG1 4.13Å; Y419-I460 HydrophobicContact CD1-CD1 3.92Å; Y419-I460 HydrophobicContact CD2-CD1 4.21Å; Y419-I460 HydrophobicContact CE1-CD1 4.5Å; Y419-I460 HydrophobicContact CG-CD1 3.75Å; Y419-I460 HydrophobicContact CG-CG1 4.46Å; V421-I460 HydrophobicContact CG1-CG2 3.78Å; V421-I460 HydrophobicContact CG2-CB 4.48Å; V421-I460 HydrophobicContact CG2-CG1 4.03Å; V421-I460 HydrophobicContact CG2-CG2 3.93Å; G456-I460 WeakPolarHBondContact O-CG1 3.28Å; G456-I460 PolarHBondContact O-N 3.37Å; G456-I460 VanDerWaalsContact O-N 3.09Å; L457-I460 WeakPolarHBondContact O-CA 3.45Å; L457-I460 WeakPolarHBondContact O-CB 3.42Å; L457-I460 PolarHBondContact O-N 3.2Å; I460-K462 PolarHBondContact O-N 3.24Å; I460-L463 WeakPolarHBondContact O-CB 3.2Å; I460-L463 PolarHBondContact O-N 3.28Å; I460-F464 WeakPolarHBondContact O-CB 3.01Å; I460-F464 PolarHBondContact O-N 2.75Å
461	V	94	Very high	89.4	Confident	11 Å²	11	44.5 Å²	44.5	7%	0.067	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-48.9	176.5	176.4	0	0	0	0	110.8	F368 L448 L457 K459 L463 F464 D465	F368-V461 HydrophobicContact CE2-CG2 3.82Å; F368-V461 HydrophobicContact CZ-CG2 3.81Å; L448-V461 HydrophobicContact CD2-CG1 4.23Å; L448-V461 HydrophobicContact CD2-CG2 3.61Å; L448-V461 HydrophobicContact CG-CG2 4.47Å; L457-V461 HydrophobicContact CD2-CG2 3.77Å; L457-V461 WeakPolarHBondContact O-CG2 3.5Å; L457-V461 PolarHBondContact O-N 3.48Å; K459-V461 VanDerWaalsContact C-N 3.35Å; V461-L463 VanDerWaalsContact C-N 3.31Å; V461-L463 PolarHBondContact O-N 3.46Å; V461-F464 WeakPolarHBondContact O-CB 3.48Å; V461-F464 PolarHBondContact O-N 3.22Å; V461-F464 VanDerWaalsContact O-N 3.15Å; V461-D465 PolarHBondContact O-N 2.94Å; V461-D465 VanDerWaalsContact O-OD2 3.11Å
462	K	93.9	Very high	88.6	Confident	151 Å²	151	47.9 Å²	47.9	66%	0.657	25%	0.25	S	C	*	.	H	α-helix	trans	-58.9	-40.8	177.9	-173.9	179.3	-179.4	-179.8	0	112.7	K458 K459 I460 T466	K458-K462 PolarHBondContact O-N 2.95Å; K459-K462 PolarHBondContact O-N 3.43Å; I460-K462 PolarHBondContact O-N 3.24Å; K462-T466 PolarHBondContact O-N 3.2Å; K462-T466 PolarHBondContact O-OG1 2.9Å
463	L	95.1	Very high	87.2	Confident	49 Å²	49	54.2 Å²	54.2	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-63	-48.1	175.6	176.3	67.5	0	0	0	110.7	V405 V408 V421 K459 I460 V461 D465 T466 A467	V405-L463 HydrophobicContact CG1-CD2 4.35Å; V405-L463 HydrophobicContact CG1-CG 4.09Å; V408-L463 HydrophobicContact CG2-CB 4.15Å; V408-L463 HydrophobicContact CG2-CD2 3.59Å; V408-L463 HydrophobicContact CG2-CG 4.48Å; V421-L463 HydrophobicContact CB-CD2 4.31Å; V421-L463 HydrophobicContact CG2-CD2 4.13Å; K459-L463 PolarHBondContact O-N 2.85Å; I460-L463 WeakPolarHBondContact O-CB 3.2Å; I460-L463 PolarHBondContact O-N 3.28Å; V461-L463 VanDerWaalsContact C-N 3.31Å; V461-L463 PolarHBondContact O-N 3.46Å; L463-D465 PolarHBondContact O-N 2.74Å; L463-T466 PolarHBondContact O-N 2.95Å; L463-A467 PolarHBondContact O-N 3.33Å; L463-A467 VanDerWaalsContact O-N 3.11Å
464	F	93.7	Very high	85.6	Confident	9 Å²	9	59.7 Å²	59.7	4%	0.039	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-46.9	178.7	176.3	-102	0	0	0	112	V339 T341 Y351 V405 I460 V461 T466 A467 D468	V339-F464 HydrophobicContact CB-CD2 4.11Å; V339-F464 HydrophobicContact CB-CE2 4.4Å; V339-F464 HydrophobicContact CB-CG 4.37Å; V339-F464 HydrophobicContact CG1-CD1 4.05Å; V339-F464 HydrophobicContact CG1-CD2 4.05Å; V339-F464 HydrophobicContact CG1-CE1 4.16Å; V339-F464 HydrophobicContact CG1-CE2 4.18Å; V339-F464 HydrophobicContact CG1-CG 3.98Å; V339-F464 HydrophobicContact CG1-CZ 4.23Å; V339-F464 HydrophobicContact CG2-CB 4.39Å; V339-F464 HydrophobicContact CG2-CD2 4.38Å; V339-F464 HydrophobicContact CG2-CG 4.39Å; T341-F464 HydrophobicContact CG2-CE1 4.18Å; T341-F464 HydrophobicContact CG2-CZ 4.05Å; Y351-F464 HydrophobicContact CE1-CD1 4.31Å; Y351-F464 HydrophobicContact CE1-CE1 4.05Å; V405-F464 HydrophobicContact CG2-CD2 4.4Å; I460-F464 WeakPolarHBondContact O-CB 3.01Å; I460-F464 PolarHBondContact O-N 2.75Å; V461-F464 WeakPolarHBondContact O-CB 3.48Å; V461-F464 PolarHBondContact O-N 3.22Å; V461-F464 VanDerWaalsContact O-N 3.15Å; F464-T466 VanDerWaalsContact C-N 3.28Å; F464-T466 PolarHBondContact O-N 3.28Å; F464-A467 PolarHBondContact O-N 3.14Å; F464-A467 VanDerWaalsContact O-N 3.15Å; F464-D468 PolarHBondContact O-N 2.65Å
465	D	91.4	Very high	83.9	Confident	38 Å²	38	62.5 Å²	62.5	20%	0.203	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-38.4	179.8	-57.6	-31.8	0	0	0	113	R445 V461 L463 A467 S469	R445-D465 IonicContact CZ-OD1 3.84Å; R445-D465 IonicContact CZ-OD2 3.18Å; R445-D465 IonicContact NH1-OD1 3.98Å; R445-D465 PolarHBondContact NH1-OD1 3.11Å; R445-D465 IonicContact NH1-OD2 2.93Å; R445-D465 PolarHBondContact NH1-OD2 3.35Å; R445-D465 IonicContact NH2-OD1 2.76Å; R445-D465 IonicContact NH2-OD2 3.2Å; R445-D465 PolarHBondContact NH2-OD2 3.44Å; V461-D465 PolarHBondContact O-N 2.94Å; V461-D465 VanDerWaalsContact O-OD2 3.11Å; L463-D465 PolarHBondContact O-N 2.74Å; D465-A467 VanDerWaalsContact C-N 3.33Å; D465-S469 VanDerWaalsContact O-CB 3.29Å; D465-S469 WeakPolarHBondContact O-CB 3.43Å; D465-S469 PolarHBondContact O-N 3.02Å; D465-S469 PolarHBondContact O-OG 2.91Å
466	T	90.9	Very high	81.8	Confident	78 Å²	78	66.7 Å²	66.7	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-42.4	178.8	-54.1	0	0	0	0	109.9	K462 L463 F464 L470	K462-T466 PolarHBondContact O-N 3.2Å; K462-T466 PolarHBondContact O-OG1 2.9Å; L463-T466 PolarHBondContact O-N 2.95Å; F464-T466 VanDerWaalsContact C-N 3.28Å; F464-T466 PolarHBondContact O-N 3.28Å; T466-L470 WeakPolarHBondContact O-CD1 3.12Å; T466-L470 WeakPolarHBondContact O-CG 3.21Å; T466-L470 PolarHBondContact O-N 3.39Å
467	A	88.6	Confident	79.6	Confident	23 Å²	23	72.2 Å²	72.2	19%	0.19	37%	0.368	C	S	.	.	H	α-helix	trans	-69.4	-40.7	177.8	0	0	0	0	0	112.7	V405 L463 F464 D465 L470 K471	V405-A467 HydrophobicContact CG1-CB 3.73Å; L463-A467 PolarHBondContact O-N 3.33Å; L463-A467 VanDerWaalsContact O-N 3.11Å; F464-A467 PolarHBondContact O-N 3.14Å; F464-A467 VanDerWaalsContact O-N 3.15Å; D465-A467 VanDerWaalsContact C-N 3.33Å; A467-L470 PolarHBondContact O-N 2.81Å; A467-K471 PolarHBondContact O-N 2.98Å; A467-K471 VanDerWaalsContact O-N 3.14Å
468	D	83.5	Confident	77	Confident	30 Å²	30	75 Å²	75	16%	0.16	40%	0.398	C	S	.	.	H	α-helix	trans	-68.1	-41.5	179.9	-155.5	48.3	0	0	0	111.3	R425 F464 L470 K471 D472	R425-D468 IonicContact CZ-OD1 2.75Å; R425-D468 IonicContact NH1-OD1 3.51Å; R425-D468 IonicContact NH2-OD1 3.27Å; R425-D468 PolarHBondContact NH2-OD1 3.25Å; R425-D468 IonicContact NH2-OD2 3.47Å; R425-D468 PolarHBondContact NH2-OD2 3.36Å; F464-D468 PolarHBondContact O-N 2.65Å; D468-L470 VanDerWaalsContact C-N 3.26Å; D468-L470 PolarHBondContact O-N 2.96Å; D468-K471 PolarHBondContact O-N 2.94Å; D468-K471 VanDerWaalsContact O-N 3.09Å; D468-D472 PolarHBondContact O-N 2.76Å
469	S	81.1	Confident	74.3	Confident	67 Å²	67	79.1 Å²	79.1	47%	0.469	42%	0.416	S	S	.	.	H	α-helix	trans	-59.7	-35.1	174.7	-60.9	0	0	0	0	113	D465 K473	D465-S469 VanDerWaalsContact O-CB 3.29Å; D465-S469 WeakPolarHBondContact O-CB 3.43Å; D465-S469 PolarHBondContact O-N 3.02Å; D465-S469 PolarHBondContact O-OG 2.91Å; S469-K473 WeakPolarHBondContact O-CG 3.47Å; S469-K473 PolarHBondContact O-N 2.87Å
470	L	75.3	Confident	71.6	Confident	99 Å²	99	84.7 Å²	84.7	52%	0.518	44%	0.435	S	S	.	.	H	α-helix	trans	-72	-37.6	176.1	-74	166.4	0	0	0	111.8	T466 A467 D468 K473 N474	T466-L470 WeakPolarHBondContact O-CD1 3.12Å; T466-L470 WeakPolarHBondContact O-CG 3.21Å; T466-L470 PolarHBondContact O-N 3.39Å; A467-L470 PolarHBondContact O-N 2.81Å; D468-L470 VanDerWaalsContact C-N 3.26Å; D468-L470 PolarHBondContact O-N 2.96Å; L470-K473 PolarHBondContact O-N 3.29Å; L470-N474 PolarHBondContact O-N 2.92Å
471	K	72.7	Confident	68.6	Low	86 Å²	86	93.3 Å²	93.3	37%	0.374	48%	0.475	S	S	.	.	H	α-helix	trans	-65.6	-40	175.1	-72.9	178.3	-178.2	174.6	0	111.7	A467 D468 N474 S475	A467-K471 PolarHBondContact O-N 2.98Å; A467-K471 VanDerWaalsContact O-N 3.14Å; D468-K471 PolarHBondContact O-N 2.94Å; D468-K471 VanDerWaalsContact O-N 3.09Å; K471-N474 PolarHBondContact O-N 3.01Å; K471-S475 WeakPolarHBondContact O-CB 3.45Å; K471-S475 PolarHBondContact O-N 2.69Å
472	D	69.8	Low	65.7	Low	78 Å²	78	102 Å²	102	42%	0.417	51%	0.512	S	S	.	.	H	α-helix	trans	-66.4	-36.9	176.3	-89.7	-1.8	0	0	0	113.2	D468 K476	D468-D472 PolarHBondContact O-N 2.76Å; D472-K476 WeakPolarHBondContact O-CG 3.42Å; D472-K476 PolarHBondContact O-N 3.33Å
473	K	59.7	Low	62.6	Low	136 Å²	136	100.9 Å²	100.9	59%	0.591	52%	0.52	S	S	*	.	H	α-helix	trans	-65.9	-47.2	173.5	-75.3	179.4	-179.9	-177.3	0	111.7	S469 L470 S475 K476 D477	S469-K473 WeakPolarHBondContact O-CG 3.47Å; S469-K473 PolarHBondContact O-N 2.87Å; L470-K473 PolarHBondContact O-N 3.29Å; K473-S475 VanDerWaalsContact C-N 3.29Å; K473-S475 PolarHBondContact O-N 3Å; K473-K476 PolarHBondContact O-N 3.11Å; K473-D477 PolarHBondContact O-N 2.82Å
474	N	57	Low	59.5	Low	117 Å²	117	107.6 Å²	107.6	63%	0.626	55%	0.55	S	S	*	.	H	α-helix	trans	-64.9	-33.1	177.7	-70.9	-12.7	0	0	0	112.6	L470 K471 G478	L470-N474 PolarHBondContact O-N 2.92Å; K471-N474 PolarHBondContact O-N 3.01Å; N474-G478 PolarHBondContact O-N 3.27Å
475	S	55.7	Low	56.3	Low	70 Å²	70	110.4 Å²	110.4	49%	0.49	58%	0.581	S	S	.	*	H	α-helix	trans	-65.5	-39.8	172.5	157.8	0	0	0	0	112.9	K471 K473	K471-S475 WeakPolarHBondContact O-CB 3.45Å; K471-S475 PolarHBondContact O-N 2.69Å; K473-S475 VanDerWaalsContact C-N 3.29Å; K473-S475 PolarHBondContact O-N 3Å
476	K	46.6	Very low	53.2	Low	154 Å²	154	117.5 Å²	117.5	67%	0.67	62%	0.618	S	S	*	*	H	α-helix	trans	-75.2	-36.8	177.8	-75.2	177.1	179.7	175.5	0	112.9	D472 K473 K479	D472-K476 WeakPolarHBondContact O-CG 3.42Å; D472-K476 PolarHBondContact O-N 3.33Å; K473-K476 PolarHBondContact O-N 3.11Å; K476-K479 PolarHBondContact O-N 2.7Å
477	D	45.5	Very low	50.2	Low	115 Å²	115	123.1 Å²	123.1	62%	0.615	64%	0.636	S	S	*	*	H	α-helix	trans	-72.6	-29	175.6	-77.3	-29.7	0	0	0	112.6	K473 K479	K473-D477 PolarHBondContact O-N 2.82Å; D477-K479 PolarHBondContact O-N 3.08Å
478	G	39.7	Very low	47.4	Very low	66 Å²	66	131.5 Å²	131.5	68%	0.68	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-8.8	171.2	0	0	0	0	0	115.2	N474	N474-G478 PolarHBondContact O-N 3.27Å
479	K	36	Very low	44.6	Very low	180 Å²	180	136.1 Å²	136.1	78%	0.783	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	7.5	-178.9	-107.4	-179.3	-179.8	-180	0	115	K476 D477 Q481	K476-K479 PolarHBondContact O-N 2.7Å; D477-K479 PolarHBondContact O-N 3.08Å; K479-Q481 PolarHBondContact O-N 3.28Å
480	R	36.5	Very low	42	Very low	219 Å²	219	143.3 Å²	143.3	83%	0.826	71%	0.712	S	S	*	*			trans	-85.7	82.3	165.1	-80.9	-178.8	170	177.2	-2.7	109.9
481	Q	34.4	Very low	39.6	Very low	184 Å²	184	144.4 Å²	144.4	86%	0.86	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-66.2	133.8	166.3	-80.1	-179	-13.2	0	0	110.4	K479	K479-Q481 PolarHBondContact O-N 3.28Å
482	K	32	Very low	37.4	Very low	193 Å²	193	148.9 Å²	148.9	84%	0.839	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-53.9	139.4	166.6	-80.2	174.4	168.9	177.9	0	110.9
483	P	28.6	Very low	35.4	Very low	128 Å²	128	154.1 Å²	154.1	83%	0.831	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-90.9	128.3	147.3	22.8	-8	0	0	0	109.7
484	E	30.2	Very low	33.8	Very low	190 Å²	190	153.5 Å²	153.5	89%	0.888	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-79	140.6	168.8	-72.7	-173.1	149.2	0	0	111.3
485	G	27	Very low	32.3	Very low	68 Å²	68	157.9 Å²	157.9	70%	0.701	79%	0.791	S	S	*	*			trans	100	104.7	143.7	0	0	0	0	0	118.3
486	L	26.3	Very low	30.9	Very low	186 Å²	186	164.5 Å²	164.5	97%	0.974	81%	0.811	S	S	*	*				-179.3	137.3	114.1	-93.7	151.5	0	0	0	111.5
487	K	28.9	Very low	29.8	Very low	196 Å²	196	162.8 Å²	162.8	85%	0.852	82%	0.818	S	S	*	*			trans	-72.8	141	-177.8	-67.3	173.6	174.8	175.7	0	111.5
488	H	28.1	Very low	28.7	Very low	200 Å²	200	168.7 Å²	168.7	93%	0.926	83%	0.832	S	S	*	*			trans	-160.5	165.7	131.7	-112.4	-54.8	0	0	0	111.9
489	D	25.7	Very low	28.7	Very low	126 Å²	126	170.3 Å²	170.3	67%	0.674	83%	0.831	S	S	*	*			trans	-104.1	161.8	-144.3	-172	21.5	0	0	0	113.2
490	R	25.7	Very low	28.1	Very low	219 Å²	219	168.1 Å²	168.1	83%	0.826	83%	0.832	S	S	*	*			trans	60.7	114.5	160.2	-84.4	167.5	163	-163.9	-4.3	120.2
491	S	25.3	Very low	27.6	Very low	121 Å²	121	162.5 Å²	162.5	85%	0.846	83%	0.832	S	S	*	*				167.2	159.3	88.3	54.1	0	0	0	0	113.3
492	Q	27	Very low	27.1	Very low	181 Å²	181	158.1 Å²	158.1	85%	0.846	83%	0.828	S	S	*	*			trans	-65.5	148.2	-163.8	-63.7	155.4	-20.8	0	0	115.7
493	K	27.3	Very low	26.7	Very low	188 Å²	188	157 Å²	157	82%	0.817	83%	0.831	S	S	*	*				178.6	112.3	111.3	-98.3	172.9	-179.1	176.8	0	113.5
494	T	25.5	Very low	26.6	Very low	123 Å²	123	154.4 Å²	154.4	76%	0.755	83%	0.827	S	S	*	*			trans	39.6	113.4	131.9	57.2	0	0	0	0	120.7
495	K	26.6	Very low	26.3	Very low	208 Å²	208	148.9 Å²	148.9	90%	0.904	82%	0.822	S	S	*	*				-171.3	132.7	96.4	-103.6	178.7	178.9	177.8	0	111.9
496	K	25.7	Very low	26.6	Very low	209 Å²	209	149.7 Å²	149.7	91%	0.909	83%	0.83	S	S	*	*			trans	-52.1	149.2	165.8	-70.6	170.9	171.5	177.9	0	109.8
497	S	24.4	Very low	26.7	Very low	119 Å²	119	152 Å²	152	83%	0.832	83%	0.825	S	S	*	*				-161.1	143.7	58.2	48.1	0	0	0	0	114.3
498	R	22.2	Very low	26.7	Very low	239 Å²	239	152 Å²	152	90%	0.902	83%	0.828	S	S	*	*			trans	-115.6	-178.2	163	-123	-171.3	169.7	-179.1	-2.7	106.5
499	P	38.8	Very low	26.7	Very low	100 Å²	100	150.1 Å²	150.1	65%	0.649	83%	0.825	S	S	*	*			cis	-138.8	174	-23.7	35.3	-17.2	0	0	0	113.9
500	T	23.8	Very low	26.9	Very low	134 Å²	134	147.8 Å²	147.8	82%	0.822	82%	0.818	S	S	*	*			trans	-179	112.4	130.8	39.4	0	0	0	0	107.3
501	A	25.5	Very low	27.3	Very low	100 Å²	100	145.4 Å²	145.4	83%	0.826	82%	0.821	S	S	*	*				49.9	136.9	76.1	0	0	0	0	0	114
502	A	24.6	Very low	27.6	Very low	92 Å²	92	143.9 Å²	143.9	76%	0.76	81%	0.81	S	S	*	*			cis	-172.2	134.2	-27.7	0	0	0	0	0	104.4
503	D	24.6	Very low	27.8	Very low	170 Å²	170	138.9 Å²	138.9	91%	0.909	80%	0.795	S	S	*	*			trans	176.3	132.8	149.1	-112.2	-13.1	0	0	0	106.7
504	G	25.2	Very low	28	Very low	73 Å²	73	138.3 Å²	138.3	75%	0.753	79%	0.793	S	S	*	*			cis	108.1	79.8	28.3	0	0	0	0	0	108.8
505	G	23.8	Very low	28.3	Very low	75 Å²	75	141.6 Å²	141.6	77%	0.773	80%	0.797	S	S	*	*			trans	163.6	100.1	172.8	0	0	0	0	0	115.3
506	G	32.7	Very low	28.6	Very low	84 Å²	84	140.5 Å²	140.5	87%	0.866	79%	0.792	S	S	*	*			trans	-61.5	136.4	170.5	0	0	0	0	0	111.9
507	R	28.7	Very low	28.7	Very low	235 Å²	235	136.2 Å²	136.2	89%	0.887	78%	0.784	S	S	*	*			trans	-119.8	105.4	168.7	-87.6	-177.7	173.5	173.7	-0.9	110.2	L509	R507-L509 PolarHBondContact O-N 2.68Å
508	Q	29.7	Very low	29.1	Very low	195 Å²	195	137 Å²	137	91%	0.911	78%	0.784	S	S	*	*			trans	-52.2	112.1	156.9	-166	173.6	3.3	0	0	108.3	S510	Q508-S510 PolarHBondContact O-N 3.31Å
509	L	27.5	Very low	29.4	Very low	162 Å²	162	135.1 Å²	135.1	85%	0.848	78%	0.782	S	S	*	*			trans	-75.7	105.4	177.2	-73	167.8	0	0	0	108.6	R507	R507-L509 PolarHBondContact O-N 2.68Å
510	S	30.7	Very low	29	Very low	77 Å²	77	139 Å²	139	54%	0.538	79%	0.791	S	S	.	*			trans	-79.3	146.5	173.9	71	0	0	0	0	111.4	Q508 S512	Q508-S510 PolarHBondContact O-N 3.31Å; S510-S512 PolarHBondContact O-N 2.71Å; S510-S512 PolarHBondContact OG-OG 3.24Å
511	L	33.8	Very low	29.4	Very low	169 Å²	169	141.7 Å²	141.7	89%	0.885	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	5.8	-175.3	-84.6	159.1	0	0	0	116
512	S	31.8	Very low	29.8	Very low	89 Å²	89	142.8 Å²	142.8	62%	0.622	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-9.5	-176.7	52.9	0	0	0	0	114.7	S510	S510-S512 PolarHBondContact O-N 2.71Å; S510-S512 PolarHBondContact OG-OG 3.24Å
513	S	30.6	Very low	30.2	Very low	75 Å²	75	148 Å²	148	52%	0.524	83%	0.827	S	S	.	*	S	Bend	trans	-90	-6.9	-175.5	58.8	0	0	0	0	115.6
514	F	31.3	Very low	30.5	Very low	176 Å²	176	146.9 Å²	146.9	77%	0.772	82%	0.823	S	S	*	*	S	Bend	trans	-95.1	-12	-176.7	-110.3	-89.4	0	0	0	115.4
515	F	32.8	Very low	30.8	Very low	192 Å²	192	150.8 Å²	150.8	84%	0.842	83%	0.827	S	S	*	*	S	Bend	trans	-95.5	1.6	-177.9	-80	-74.3	0	0	0	115
516	K	31.4	Very low	31.2	Very low	185 Å²	185	155 Å²	155	80%	0.804	83%	0.83	S	S	*	*	S	Bend	trans	-99.6	-13.1	178.8	-86.8	-173.9	173.8	-175.9	0	115.2	V518	K516-V518 PolarHBondContact O-N 3.02Å
517	T	29.4	Very low	31.1	Very low	119 Å²	119	159.2 Å²	159.2	73%	0.73	83%	0.827	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	18	-173.1	12.7	0	0	0	0	115.3
518	V	31.3	Very low	31.2	Very low	137 Å²	137	154.4 Å²	154.4	83%	0.83	82%	0.824	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	12.6	178	-169.7	0	0	0	0	112.5	K516	K516-V518 PolarHBondContact O-N 3.02Å
519	K	30.3	Very low	31.3	Very low	199 Å²	199	151.7 Å²	151.7	87%	0.865	82%	0.818	S	S	*	*	S	Bend	trans	-120.4	1	-179.5	-130	-176.9	-179.1	-172.9	0	115.9
520	E	30.2	Very low	31.6	Very low	180 Å²	180	151 Å²	151	84%	0.841	82%	0.816	S	S	*	*	S	Bend	trans	-133.2	72.2	178.3	-73.6	178.2	174.1	0	0	109.5
521	E	31.8	Very low	31.7	Very low	191 Å²	191	156.7 Å²	156.7	89%	0.893	84%	0.837	S	S	*	*	S	Bend	trans	-167.7	64	159	-110.4	175.8	-154.7	0	0	108.5
522	S	34	Very low	31.5	Very low	124 Å²	124	155.7 Å²	155.7	87%	0.867	83%	0.833	S	S	*	*			trans	-161.9	79.3	160.4	-56.2	0	0	0	0	107.5
523	S	33.2	Very low	31.5	Very low	201 Å²	201	161.7 Å²	161.7	100%	1.406	85%	0.852	S	S	*	*			trans	-112.4	0	157.6	-64.6	0	0	0	0	107.7

Retrieved 523 of 523 residues in 735 ms (Link to these results)

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